smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](C#N)C(=O)N1CC[C@H](C[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001376924609 921747933 /nfs/dbraw/zinc/74/79/33/921747933.db2.gz GAMFSOGKOJRBMG-VXGBXAGGSA-N 1 0 321.381 -1.457 20 30 DAEDRO COCC#CCN1CCCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001149136408 916144679 /nfs/dbraw/zinc/14/46/79/916144679.db2.gz HFENQWRVNAELSL-GFCCVEGCSA-N 1 0 312.370 -1.488 20 30 DAEDRO COCC#CCN1CCCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001149136409 916144913 /nfs/dbraw/zinc/14/49/13/916144913.db2.gz HFENQWRVNAELSL-LBPRGKRZSA-N 1 0 312.370 -1.488 20 30 DAEDRO C#CCC[NH2+]CC1(CCNC(=O)CNS(=O)(=O)NC)CC1 ZINC001166409710 916147522 /nfs/dbraw/zinc/14/75/22/916147522.db2.gz YMDFDIGZLWUSBX-UHFFFAOYSA-N 1 0 316.427 -1.060 20 30 DAEDRO Cn1c(C(=O)NCCC[NH2+]CC(=O)NCC#N)cccc1=O ZINC001166333219 916147951 /nfs/dbraw/zinc/14/79/51/916147951.db2.gz ILMJLAAABXFENJ-UHFFFAOYSA-N 1 0 305.338 -1.265 20 30 DAEDRO CC#CC[NH2+]CC1(CCNC(=O)CNS(=O)(=O)NC)CC1 ZINC001166409500 916148234 /nfs/dbraw/zinc/14/82/34/916148234.db2.gz UWQBIIBIQVLYKF-UHFFFAOYSA-N 1 0 316.427 -1.060 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC001187467605 916154819 /nfs/dbraw/zinc/15/48/19/916154819.db2.gz UBMBXISGMUXUEB-ZIAGYGMSSA-N 1 0 320.393 -1.205 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC001187467604 916155102 /nfs/dbraw/zinc/15/51/02/916155102.db2.gz UBMBXISGMUXUEB-UONOGXRCSA-N 1 0 320.393 -1.205 20 30 DAEDRO CC#CC[N@H+](C)[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001190247498 916157571 /nfs/dbraw/zinc/15/75/71/916157571.db2.gz QAALAJULGPFGRM-NSHDSACASA-N 1 0 304.354 -1.067 20 30 DAEDRO C#CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CNC(=O)NC)C1 ZINC001266751098 916183017 /nfs/dbraw/zinc/18/30/17/916183017.db2.gz BMNBEAYRGHUYIA-LBPRGKRZSA-N 1 0 323.397 -1.507 20 30 DAEDRO C#CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001266766626 916183195 /nfs/dbraw/zinc/18/31/95/916183195.db2.gz HSDSVZIBARSROW-STQMWFEESA-N 1 0 320.393 -1.157 20 30 DAEDRO C#CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001266766625 916183954 /nfs/dbraw/zinc/18/39/54/916183954.db2.gz HSDSVZIBARSROW-OLZOCXBDSA-N 1 0 320.393 -1.157 20 30 DAEDRO C=CCCC[NH2+]CCN(C)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001266785412 916185240 /nfs/dbraw/zinc/18/52/40/916185240.db2.gz NVAKKQSQUUUCKO-NSHDSACASA-N 1 0 317.411 -1.086 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1cnn(C)c1 ZINC001278737037 916194547 /nfs/dbraw/zinc/19/45/47/916194547.db2.gz GCXSOCFQZWKCKI-CYBMUJFWSA-N 1 0 321.381 -1.879 20 30 DAEDRO CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C(=O)Cc1ccon1 ZINC001278737549 916195629 /nfs/dbraw/zinc/19/56/29/916195629.db2.gz PUGOQBWUUUMAJX-LLVKDONJSA-N 1 0 309.326 -1.734 20 30 DAEDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCC(=O)NCC#N ZINC001312661601 916208317 /nfs/dbraw/zinc/20/83/17/916208317.db2.gz OJAOBKSKYXDXHG-SNVBAGLBSA-N 1 0 310.358 -1.612 20 30 DAEDRO CC#CC[N@@H+]1CCC2(CN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC001313441687 916215701 /nfs/dbraw/zinc/21/57/01/916215701.db2.gz UTIVLDCMEOEGTQ-UHFFFAOYSA-N 1 0 304.394 -1.024 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001316623418 916216909 /nfs/dbraw/zinc/21/69/09/916216909.db2.gz GSZZDBJWKZIUPZ-OZVIIMIRSA-N 1 0 320.393 -1.254 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001316618197 916217271 /nfs/dbraw/zinc/21/72/71/916217271.db2.gz PIPIQZGVUCURRN-XQQFMLRXSA-N 1 0 320.393 -1.254 20 30 DAEDRO CC(=O)N1CC(C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001316617147 916217733 /nfs/dbraw/zinc/21/77/33/916217733.db2.gz XVJMLFKVGNEPFG-BJHJDKERSA-N 1 0 321.381 -1.411 20 30 DAEDRO CN1CC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)NCC#N)C2)C1=O ZINC001316634417 916218521 /nfs/dbraw/zinc/21/85/21/916218521.db2.gz GVGXKDNAEXUTSP-SRVKXCTJSA-N 1 0 321.381 -1.411 20 30 DAEDRO Cn1nnc(C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)NCC#N)C2)n1 ZINC001316634479 916218701 /nfs/dbraw/zinc/21/87/01/916218701.db2.gz GNSWPYBZCYWSRY-KYZUINATSA-N 1 0 306.330 -2.052 20 30 DAEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001316616217 916218718 /nfs/dbraw/zinc/21/87/18/916218718.db2.gz PSKGFKVKBPEGGN-AXFHLTTASA-N 1 0 310.354 -1.119 20 30 DAEDRO CC#CC[NH2+][C@H]1C[C@H](CNC(=O)CNC(=O)CNC(C)=O)C1 ZINC001316633629 916218768 /nfs/dbraw/zinc/21/87/68/916218768.db2.gz OOUKKNKSWWCPDP-JOCQHMNTSA-N 1 0 308.382 -1.254 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001316618192 916219250 /nfs/dbraw/zinc/21/92/50/916219250.db2.gz PIPIQZGVUCURRN-FRRDWIJNSA-N 1 0 320.393 -1.254 20 30 DAEDRO C#CCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)CNC(=O)NC)n1 ZINC001316716911 916220175 /nfs/dbraw/zinc/22/01/75/916220175.db2.gz ZUGBWEYKVJBNEU-UHFFFAOYSA-N 1 0 320.353 -1.160 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001316665491 916220573 /nfs/dbraw/zinc/22/05/73/916220573.db2.gz YGGOSWFEWGOOSH-NWDGAFQWSA-N 1 0 318.381 -1.029 20 30 DAEDRO C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CNS(=O)(=O)NC ZINC001316805163 916229231 /nfs/dbraw/zinc/22/92/31/916229231.db2.gz PSOJOPMZRLHFFQ-LBPRGKRZSA-N 1 0 316.427 -1.014 20 30 DAEDRO C#CC[N@@H+](CCCNC(=O)Cn1cnc(C(N)=O)n1)C1CC1 ZINC001316917095 916238166 /nfs/dbraw/zinc/23/81/66/916238166.db2.gz YQFSESIYLIGEEC-UHFFFAOYSA-N 1 0 304.354 -1.019 20 30 DAEDRO C=CCOCC(=O)N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001316973953 916249873 /nfs/dbraw/zinc/24/98/73/916249873.db2.gz LJFAAPMBPKFOCI-NSHDSACASA-N 1 0 310.354 -1.069 20 30 DAEDRO C=CCOCC(=O)N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001316973952 916251336 /nfs/dbraw/zinc/25/13/36/916251336.db2.gz LJFAAPMBPKFOCI-LLVKDONJSA-N 1 0 310.354 -1.069 20 30 DAEDRO C=CCOCC[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001316976744 916252070 /nfs/dbraw/zinc/25/20/70/916252070.db2.gz BXSBLKMFRUNXSB-NSHDSACASA-N 1 0 322.369 -1.230 20 30 DAEDRO N#CCNC(=O)C[NH2+][C@@H](CNC(=O)C1=COCCO1)C1CC1 ZINC001317010077 916253618 /nfs/dbraw/zinc/25/36/18/916253618.db2.gz TUJGGHPSMBMWFJ-NSHDSACASA-N 1 0 308.338 -1.001 20 30 DAEDRO C#CCC[NH2+][C@H](CNC(=O)Cn1cnc(C(N)=O)n1)C1CC1 ZINC001317013421 916254944 /nfs/dbraw/zinc/25/49/44/916254944.db2.gz NVGHSJWFHUZPIG-LLVKDONJSA-N 1 0 304.354 -1.115 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CNC(=O)CNC(=O)NC)C1CC1 ZINC001317019439 916255938 /nfs/dbraw/zinc/25/59/38/916255938.db2.gz PJUGVPNRQDOELG-PWSUYJOCSA-N 1 0 323.397 -1.462 20 30 DAEDRO Cc1c(C(=O)NC[C@@H]([NH2+]CC(=O)NCC#N)C2CC2)nnn1C ZINC001317013817 916256753 /nfs/dbraw/zinc/25/67/53/916256753.db2.gz UWUDLBPLVGGAHS-LLVKDONJSA-N 1 0 319.369 -1.139 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001317062127 916259394 /nfs/dbraw/zinc/25/93/94/916259394.db2.gz YATUIWUYAHWHFI-LBPRGKRZSA-N 1 0 321.381 -2.642 20 30 DAEDRO N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001317060650 916260052 /nfs/dbraw/zinc/26/00/52/916260052.db2.gz GERFDPQHJARIOP-VIFPVBQESA-N 1 0 304.310 -1.374 20 30 DAEDRO CCN(CCC#N)C(=O)C[NH2+][C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001317054525 916260755 /nfs/dbraw/zinc/26/07/55/916260755.db2.gz JJOKKYITWNFESQ-NSHDSACASA-N 1 0 309.370 -1.186 20 30 DAEDRO C#CCC[NH2+][C@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001317058062 916261497 /nfs/dbraw/zinc/26/14/97/916261497.db2.gz QEJIJFDVIHCLDH-LBPRGKRZSA-N 1 0 316.427 -1.062 20 30 DAEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001317082093 916262457 /nfs/dbraw/zinc/26/24/57/916262457.db2.gz JLAVPDMMHUWCPW-HAQNSBGRSA-N 1 0 324.381 -1.616 20 30 DAEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)S(C)(=O)=O)C1 ZINC001317082304 916262856 /nfs/dbraw/zinc/26/28/56/916262856.db2.gz YPNKJQVSKWYCFN-DCAQKATOSA-N 1 0 317.411 -1.042 20 30 DAEDRO CC#CC[NH2+][C@H]1C[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001317085354 916264051 /nfs/dbraw/zinc/26/40/51/916264051.db2.gz IHZFMHPCVVFXNC-XYPYZODXSA-N 1 0 302.400 -1.358 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001317078128 916264171 /nfs/dbraw/zinc/26/41/71/916264171.db2.gz NSJWVFZOSHAQFJ-RNJOBUHISA-N 1 0 320.393 -1.161 20 30 DAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CCCC(=O)N2)C1 ZINC001317115089 916266101 /nfs/dbraw/zinc/26/61/01/916266101.db2.gz ZXHZGTIGPSQQHJ-SDDRHHMPSA-N 1 0 321.381 -1.078 20 30 DAEDRO CN1C(=O)CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001317092106 916266443 /nfs/dbraw/zinc/26/64/43/916266443.db2.gz UZAIGCCGNIWCOI-SRVKXCTJSA-N 1 0 321.381 -1.126 20 30 DAEDRO C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1)n1cncn1 ZINC001317110222 916266489 /nfs/dbraw/zinc/26/64/89/916266489.db2.gz WBMRODYNDVSLII-MXWKQRLJSA-N 1 0 305.342 -1.284 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001317119076 916269140 /nfs/dbraw/zinc/26/91/40/916269140.db2.gz HSECDJDWGDHVGY-MXWKQRLJSA-N 1 0 306.366 -1.373 20 30 DAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001317120638 916269434 /nfs/dbraw/zinc/26/94/34/916269434.db2.gz DSYPAWCBSPFXEE-MXWKQRLJSA-N 1 0 307.354 -1.468 20 30 DAEDRO COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001317120090 916269814 /nfs/dbraw/zinc/26/98/14/916269814.db2.gz QDIMZEQXXHHXJR-QNWHQSFQSA-N 1 0 309.366 -1.094 20 30 DAEDRO C#CCC[NH2+]C[C@H]1CCCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001317154333 916270434 /nfs/dbraw/zinc/27/04/34/916270434.db2.gz NUPZDOXPRZJINN-GFCCVEGCSA-N 1 0 316.427 -1.108 20 30 DAEDRO CC(=O)NCC(=O)N1CCC[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001317142091 916270473 /nfs/dbraw/zinc/27/04/73/916270473.db2.gz WEPIZRPNIKEHGE-LBPRGKRZSA-N 1 0 309.370 -1.410 20 30 DAEDRO CC(=O)NCC(=O)N1CCC[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001317142090 916271184 /nfs/dbraw/zinc/27/11/84/916271184.db2.gz WEPIZRPNIKEHGE-GFCCVEGCSA-N 1 0 309.370 -1.410 20 30 DAEDRO C=C[C@@](C)(O)CC(=O)NC[C@@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001317234447 916271977 /nfs/dbraw/zinc/27/19/77/916271977.db2.gz GUKJEBKOCGRHBU-NOZJJQNGSA-N 1 0 300.359 -1.137 20 30 DAEDRO N#CCNC(=O)C[NH2+]C1CCC(NC(=O)C2(C(N)=O)CC2)CC1 ZINC001317220627 916273804 /nfs/dbraw/zinc/27/38/04/916273804.db2.gz YWTDIUMNAQKWCH-UHFFFAOYSA-N 1 0 321.381 -1.091 20 30 DAEDRO C=CCNC(=O)C[NH2+]C1CCC(NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001317219999 916274381 /nfs/dbraw/zinc/27/43/81/916274381.db2.gz DFKOIUCAPHQNCX-MCIGGMRASA-N 1 0 323.397 -1.013 20 30 DAEDRO C[C@H](CNC(=O)CSCC#N)[NH2+]CCN1C(=O)CNC1=O ZINC001317225597 916274972 /nfs/dbraw/zinc/27/49/72/916274972.db2.gz ADOXLFOCJGIPEN-SECBINFHSA-N 1 0 313.383 -1.111 20 30 DAEDRO C#CC[NH2+]C[C@@H]1CCCCN1C(=O)CNC(=O)CNC(C)=O ZINC001317189317 916275211 /nfs/dbraw/zinc/27/52/11/916275211.db2.gz NRQJTIOCOOINSW-ZDUSSCGKSA-N 1 0 308.382 -1.157 20 30 DAEDRO COc1cc(C(=O)NC[C@H](C)[NH2+]CC(=O)NCC#N)ncn1 ZINC001317239239 916276463 /nfs/dbraw/zinc/27/64/63/916276463.db2.gz BFJQGPCPLYRGHF-VIFPVBQESA-N 1 0 306.326 -1.167 20 30 DAEDRO COc1nn(C)cc1C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001317256729 916276505 /nfs/dbraw/zinc/27/65/05/916276505.db2.gz 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DAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)CNC(=O)OC ZINC001320198803 916473006 /nfs/dbraw/zinc/47/30/06/916473006.db2.gz FVXGVLVUDDSCSW-NXEZZACHSA-N 1 0 314.342 -2.453 20 30 DAEDRO Cc1cnn(CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N)c1 ZINC001320200468 916473802 /nfs/dbraw/zinc/47/38/02/916473802.db2.gz FUFDJLVUKOTALN-NSHDSACASA-N 1 0 308.342 -2.102 20 30 DAEDRO CCN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)CSCC#N)C1=O ZINC001320199000 916474682 /nfs/dbraw/zinc/47/46/82/916474682.db2.gz HILNERLRXRYVEO-WDEREUQCSA-N 1 0 314.411 -1.069 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cc(C)nn1C ZINC001320199981 916475216 /nfs/dbraw/zinc/47/52/16/916475216.db2.gz DHDHNYPPIGJJTJ-VXGBXAGGSA-N 1 0 321.381 -1.453 20 30 DAEDRO C=CCN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc2cc[nH]n2)C1=O ZINC001320203433 916476282 /nfs/dbraw/zinc/47/62/82/916476282.db2.gz SMSDMIPXCWATAX-CHWSQXEVSA-N 1 0 321.381 -1.194 20 30 DAEDRO C=CCN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)Cc2cc[nH]n2)C1=O ZINC001320203436 916476626 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C#CCO[C@H](C)C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001320215114 916479161 /nfs/dbraw/zinc/47/91/61/916479161.db2.gz CFYMXHVFYDJRQW-OLZOCXBDSA-N 1 0 311.382 -1.286 20 30 DAEDRO C=C(C)CCC(=O)NC[C@@H](O)C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001320227544 916479353 /nfs/dbraw/zinc/47/93/53/916479353.db2.gz RGNBSBUQWHVIAJ-UWVGGRQHSA-N 1 0 300.359 -1.007 20 30 DAEDRO CC(C)(C)OCC(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001320216247 916480286 /nfs/dbraw/zinc/48/02/86/916480286.db2.gz LNDCVHWBRSENNF-JTQLQIEISA-N 1 0 300.359 -1.492 20 30 DAEDRO C=C(C)CCC(=O)NC[C@H](O)C[NH2+][C@H](C)C(=O)NC(N)=O ZINC001320227542 916481349 /nfs/dbraw/zinc/48/13/49/916481349.db2.gz RGNBSBUQWHVIAJ-NXEZZACHSA-N 1 0 300.359 -1.007 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cc[nH]c(=O)c1 ZINC001320218366 916481498 /nfs/dbraw/zinc/48/14/98/916481498.db2.gz VJPPSSBRQAUCFH-ZYHUDNBSSA-N 1 0 320.349 -1.395 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001320242123 916483146 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C#CC[NH2+]C[C@H](O)CNC(=O)c1ccc(OCC(N)=O)cc1 ZINC001320246906 916486900 /nfs/dbraw/zinc/48/69/00/916486900.db2.gz QOUVXWNVXZSACZ-LBPRGKRZSA-N 1 0 305.334 -1.136 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCNC(=O)CC1 ZINC001320262722 916487317 /nfs/dbraw/zinc/48/73/17/916487317.db2.gz YLPMJAZEZAYZPR-VXGBXAGGSA-N 1 0 324.381 -2.281 20 30 DAEDRO C#Cc1ccc(C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O)cc1 ZINC001320255939 916487955 /nfs/dbraw/zinc/48/79/55/916487955.db2.gz BQPJCXRBLPXYMQ-GFCCVEGCSA-N 1 0 318.333 -1.457 20 30 DAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1ccc(OCC(N)=O)cc1 ZINC001320246905 916488473 /nfs/dbraw/zinc/48/84/73/916488473.db2.gz QOUVXWNVXZSACZ-GFCCVEGCSA-N 1 0 305.334 -1.136 20 30 DAEDRO C=CC(C)(C)C(=O)NC[C@@H](O)C[NH2+][C@H](C)C(=O)NC(N)=O ZINC001320256005 916488498 /nfs/dbraw/zinc/48/84/98/916488498.db2.gz CWKCNPNZWISSDP-BDAKNGLRSA-N 1 0 300.359 -1.151 20 30 DAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1c(C)nc[nH]c1=O ZINC001320263526 916491871 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C=C(C[NH+](C)C)C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001321172576 916551726 /nfs/dbraw/zinc/55/17/26/916551726.db2.gz BLWWOWYMQGDRJC-NSHDSACASA-N 1 0 317.411 -1.086 20 30 DAEDRO C=CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001321186343 916552383 /nfs/dbraw/zinc/55/23/83/916552383.db2.gz NALYAXOJXTXBQF-DOGVGXBMSA-N 1 0 309.370 -1.426 20 30 DAEDRO COc1nn(C)cc1C(=O)NC/C=C/C[NH2+]CC(=O)NCC#N ZINC001321186650 916552914 /nfs/dbraw/zinc/55/29/14/916552914.db2.gz OKTCDAJGMXCFLV-ONEGZZNKSA-N 1 0 320.353 -1.056 20 30 DAEDRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1cnn(CC#N)c1 ZINC001321244457 916556177 /nfs/dbraw/zinc/55/61/77/916556177.db2.gz QTWCPPVJSMOYFO-UHFFFAOYSA-N 1 0 308.342 -1.224 20 30 DAEDRO C=CCN1CC[C@@H]([NH2+]C/C=C\CNC(=O)c2nnn(C)n2)C1=O ZINC001321200267 916557123 /nfs/dbraw/zinc/55/71/23/916557123.db2.gz NRLKWILVCAQWEK-DOGVGXBMSA-N 1 0 319.369 -1.127 20 30 DAEDRO COCC#CC[NH2+]C/C=C/CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001321249375 916558726 /nfs/dbraw/zinc/55/87/26/916558726.db2.gz 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DAEDRO C#CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001267593893 775254649 /nfs/dbraw/zinc/25/46/49/775254649.db2.gz VBYAIGXDTXBNNU-LBPRGKRZSA-N 1 0 318.381 -1.123 20 30 DAEDRO C#CCNC(=O)CC(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001299167049 775256489 /nfs/dbraw/zinc/25/64/89/775256489.db2.gz OITGXNQBPREQHS-GFCCVEGCSA-N 1 0 320.393 -1.157 20 30 DAEDRO C#CCNC(=O)CN1CCC[C@@H](NC(=O)CCn2cnnn2)C1 ZINC001267619476 775258208 /nfs/dbraw/zinc/25/82/08/775258208.db2.gz NVMBKJQHBAUSLE-GFCCVEGCSA-N 1 0 319.369 -1.607 20 30 DAEDRO C#CCNC(=O)CN1CCC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001267623271 775258530 /nfs/dbraw/zinc/25/85/30/775258530.db2.gz JDLIWVVHACQCFW-NWDGAFQWSA-N 1 0 306.366 -1.405 20 30 DAEDRO N#CCNC(=O)CN1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001267647540 775261190 /nfs/dbraw/zinc/26/11/90/775261190.db2.gz RCMXCHRVMMYPMH-ZDUSSCGKSA-N 1 0 305.382 -1.232 20 30 DAEDRO N#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1COCCO1 ZINC001283737161 775264921 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C#CCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CNC(N)=O)C2)nn1 ZINC001098614810 775281150 /nfs/dbraw/zinc/28/11/50/775281150.db2.gz ACMCSYLICNMVMD-GFCCVEGCSA-N 1 0 319.369 -1.167 20 30 DAEDRO C#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001267812538 775282062 /nfs/dbraw/zinc/28/20/62/775282062.db2.gz AZLAWRSRYAMDFB-ZJUUUORDSA-N 1 0 301.368 -1.983 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCN(C)C1=O ZINC001267813598 775282591 /nfs/dbraw/zinc/28/25/91/775282591.db2.gz AEXQMLVGBIGQHU-NWDGAFQWSA-N 1 0 308.382 -1.302 20 30 DAEDRO CC[C@@H](CNC(=O)[C@]1(C)CCNC1=O)[NH2+]CC(=O)NCC#N ZINC001267821069 775284007 /nfs/dbraw/zinc/28/40/07/775284007.db2.gz XXJWWDRIPWGMKO-IINYFYTJSA-N 1 0 309.370 -1.363 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CN(CC)CCO1 ZINC001267831562 775284102 /nfs/dbraw/zinc/28/41/02/775284102.db2.gz RVUMGAPQSMAZTK-KGLIPLIRSA-N 1 0 324.425 -1.059 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)C(=O)NCC1CC1 ZINC001267823948 775284221 /nfs/dbraw/zinc/28/42/21/775284221.db2.gz SJEDWZINGSPNNK-LBPRGKRZSA-N 1 0 308.382 -1.254 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@](C)(NC(=O)CNC(=O)OC)C1CC1 ZINC001267848423 775286676 /nfs/dbraw/zinc/28/66/76/775286676.db2.gz GGDPWVFZBKABBI-HNNXBMFYSA-N 1 0 324.381 -1.034 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCC1CCN(C(=O)C(N)=O)CC1 ZINC001267913675 775292663 /nfs/dbraw/zinc/29/26/63/775292663.db2.gz WZNPGGYWZJPKRQ-LLVKDONJSA-N 1 0 308.382 -1.172 20 30 DAEDRO C#CC[NH2+][C@H]1CC[C@H](NC(=O)CNS(=O)(=O)NC)CC1 ZINC001267927893 775296644 /nfs/dbraw/zinc/29/66/44/775296644.db2.gz QXGZBWIRRGMHPD-XYPYZODXSA-N 1 0 302.400 -1.310 20 30 DAEDRO CC(C)(C(N)=O)C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001267957752 775300147 /nfs/dbraw/zinc/30/01/47/775300147.db2.gz LKZUJYVOPZPUQE-SNVBAGLBSA-N 1 0 309.370 -1.282 20 30 DAEDRO COC[C@@H](OC)C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001267964040 775302015 /nfs/dbraw/zinc/30/20/15/775302015.db2.gz ZLGMTCZVMQBKRY-VXGBXAGGSA-N 1 0 312.370 -1.132 20 30 DAEDRO N#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CCc1cn[nH]n1 ZINC001267963428 775302202 /nfs/dbraw/zinc/30/22/02/775302202.db2.gz NXGBXNBWIHKUAO-GFCCVEGCSA-N 1 0 319.369 -1.042 20 30 DAEDRO COCC#CC[NH2+]C[C@H]1CCCN1C(=O)CN1CCNC(=O)C1 ZINC001267961052 775302253 /nfs/dbraw/zinc/30/22/53/775302253.db2.gz UVFIBMPOSIVLEH-CQSZACIVSA-N 1 0 322.409 -1.351 20 30 DAEDRO COC[C@H](OC)C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001267964039 775302811 /nfs/dbraw/zinc/30/28/11/775302811.db2.gz ZLGMTCZVMQBKRY-NEPJUHHUSA-N 1 0 312.370 -1.132 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)Cn1cnnn1 ZINC001267976917 775307890 /nfs/dbraw/zinc/30/78/90/775307890.db2.gz BRSGNANPACGTDB-WDEREUQCSA-N 1 0 307.358 -1.847 20 30 DAEDRO C#CCO[C@H](C)C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC(=O)NC ZINC001267984727 775309375 /nfs/dbraw/zinc/30/93/75/775309375.db2.gz FFYIBEZUPHPCSB-WDEREUQCSA-N 1 0 312.370 -1.178 20 30 DAEDRO C[C@@H](CNC(=O)CS(C)(=O)=O)C[NH2+]CC(=O)NCC#N ZINC001267981478 775309567 /nfs/dbraw/zinc/30/95/67/775309567.db2.gz HZJRZLQBIQKSQU-SECBINFHSA-N 1 0 304.372 -1.987 20 30 DAEDRO C[C@@H](CNC(=O)C[C@H]1CCC(=O)NC1)C[NH2+]CC(=O)NCC#N ZINC001267990657 775310623 /nfs/dbraw/zinc/31/06/23/775310623.db2.gz VSMAAGYGQGRBRQ-VXGBXAGGSA-N 1 0 323.397 -1.116 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)Cn1ncnn1 ZINC001267987127 775311324 /nfs/dbraw/zinc/31/13/24/775311324.db2.gz RFNAXZZQQGXICQ-WDEREUQCSA-N 1 0 307.358 -1.847 20 30 DAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001268000494 775311634 /nfs/dbraw/zinc/31/16/34/775311634.db2.gz LDMYMDXJFADEGO-VHSXEESVSA-N 1 0 309.374 -1.144 20 30 DAEDRO C[C@H](CNC(=O)Cn1ncn(C)c1=O)C[NH2+]CC(=O)NCC#N ZINC001267990018 775311699 /nfs/dbraw/zinc/31/16/99/775311699.db2.gz HKVNCVLGXHIYMF-JTQLQIEISA-N 1 0 323.357 -2.437 20 30 DAEDRO COCC#CC[NH2+]C[C@@H](C)CNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001268012651 775314410 /nfs/dbraw/zinc/31/44/10/775314410.db2.gz OEHYJIJTAFOTFZ-NEPJUHHUSA-N 1 0 324.381 -1.034 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CN(CC)CCO1 ZINC001268014194 775314866 /nfs/dbraw/zinc/31/48/66/775314866.db2.gz MXOIFAPCUJHUIC-UONOGXRCSA-N 1 0 324.425 -1.202 20 30 DAEDRO COCC#CC[NH2+]C[C@H](C)CNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001268012652 775315359 /nfs/dbraw/zinc/31/53/59/775315359.db2.gz OEHYJIJTAFOTFZ-NWDGAFQWSA-N 1 0 324.381 -1.034 20 30 DAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@@H]1CCN(CC=C)C1=O ZINC001125994915 775317787 /nfs/dbraw/zinc/31/77/87/775317787.db2.gz PBOMEIAWJHQQOY-GFCCVEGCSA-N 1 0 306.366 -1.381 20 30 DAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC001125999168 775317833 /nfs/dbraw/zinc/31/78/33/775317833.db2.gz ZBXGSOQQVSLSAV-GFCCVEGCSA-N 1 0 308.382 -1.159 20 30 DAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001125998322 775318010 /nfs/dbraw/zinc/31/80/10/775318010.db2.gz ORBPIHXTCMGOON-GFCCVEGCSA-N 1 0 308.382 -1.252 20 30 DAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001125998986 775318244 /nfs/dbraw/zinc/31/82/44/775318244.db2.gz WPTXNDJIACKRNH-LBPRGKRZSA-N 1 0 324.381 -1.921 20 30 DAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@@H](C)C(=O)NCC(C)C ZINC001125999142 775318736 /nfs/dbraw/zinc/31/87/36/775318736.db2.gz YUNRAKRNTSGAGC-LBPRGKRZSA-N 1 0 310.398 -1.008 20 30 DAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cnn(C)c1N ZINC001126099730 775327245 /nfs/dbraw/zinc/32/72/45/775327245.db2.gz VZYXFTDPEOPYEN-UHFFFAOYSA-N 1 0 323.357 -1.667 20 30 DAEDRO N#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001167784110 775328095 /nfs/dbraw/zinc/32/80/95/775328095.db2.gz MRTXYTSSGVKCHO-NSHDSACASA-N 1 0 321.381 -1.219 20 30 DAEDRO N#CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCNC2=O)CCCC1 ZINC001268036904 775331509 /nfs/dbraw/zinc/33/15/09/775331509.db2.gz FECJNNKZYMDLPQ-LLVKDONJSA-N 1 0 321.381 -1.219 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CCNC(=O)NC ZINC001268061283 775339888 /nfs/dbraw/zinc/33/98/88/775339888.db2.gz UCMZDPQZOYFABK-NSHDSACASA-N 1 0 311.386 -1.509 20 30 DAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001268079058 775341263 /nfs/dbraw/zinc/34/12/63/775341263.db2.gz OAIJBGYASMEGTD-QWRGUYRKSA-N 1 0 309.370 -1.317 20 30 DAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)C2CN(C(C)=O)C2)C1=O ZINC001126292784 775341367 /nfs/dbraw/zinc/34/13/67/775341367.db2.gz XTEOXPKRCNAGEY-ZDUSSCGKSA-N 1 0 308.382 -1.043 20 30 DAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@H]1CCN(C)C1=O ZINC001268082427 775341432 /nfs/dbraw/zinc/34/14/32/775341432.db2.gz WWBBUNKQIGIROA-MNOVXSKESA-N 1 0 309.370 -1.459 20 30 DAEDRO C=CCn1cc(C(=O)NCCC[NH2+]CC(=O)NCC#N)nn1 ZINC001167830992 775343481 /nfs/dbraw/zinc/34/34/81/775343481.db2.gz FSIHLBLWRXRLQB-UHFFFAOYSA-N 1 0 305.342 -1.187 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1cn(CC=C)nn1 ZINC001167838281 775344752 /nfs/dbraw/zinc/34/47/52/775344752.db2.gz BVDORHCYYKPEGF-UHFFFAOYSA-N 1 0 304.354 -1.077 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cn1cncn1 ZINC001268096107 775345324 /nfs/dbraw/zinc/34/53/24/775345324.db2.gz OOFHOPQOHNUTTF-RYUDHWBXSA-N 1 0 306.370 -1.148 20 30 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-1.313 20 30 DAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CCn1cnnn1 ZINC001169119209 776286544 /nfs/dbraw/zinc/28/65/44/776286544.db2.gz NGMKCEHJBHDWDY-NSHDSACASA-N 1 0 309.374 -1.150 20 30 DAEDRO C=CCN1CC[C@@H]([NH2+]CCCNC(=O)CCn2cnnn2)C1=O ZINC001169109623 776287079 /nfs/dbraw/zinc/28/70/79/776287079.db2.gz AEWJVWMEUIVJNY-GFCCVEGCSA-N 1 0 321.385 -1.054 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCn1cnnn1 ZINC001169118999 776287250 /nfs/dbraw/zinc/28/72/50/776287250.db2.gz IPVSEPFKPHJRNN-LLVKDONJSA-N 1 0 307.358 -1.703 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001169298973 776288520 /nfs/dbraw/zinc/28/85/20/776288520.db2.gz QGAADBOLMSSTKU-JTQLQIEISA-N 1 0 319.365 -1.039 20 30 DAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCCS1(=O)=O ZINC001129335670 776292780 /nfs/dbraw/zinc/29/27/80/776292780.db2.gz WXPUTVQQJZPNDK-NSHDSACASA-N 1 0 317.411 -1.038 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)COCc1nncn1C ZINC001169817936 776305787 /nfs/dbraw/zinc/30/57/87/776305787.db2.gz MAWZOKMJAYPIHB-UHFFFAOYSA-N 1 0 322.369 -1.823 20 30 DAEDRO C[NH+](C)CCOCC(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 ZINC001108587917 776309161 /nfs/dbraw/zinc/30/91/61/776309161.db2.gz YPJJUNDGHPFUSD-LBPRGKRZSA-N 1 0 323.397 -1.511 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CNC(C)=O)C2 ZINC001108603365 776311324 /nfs/dbraw/zinc/31/13/24/776311324.db2.gz DPGYXZKADRAUNO-IHRRRGAJSA-N 1 0 320.393 -1.159 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1cc(C2CC2)nn1 ZINC001129352310 776311997 /nfs/dbraw/zinc/31/19/97/776311997.db2.gz YFMIRAKSRDVLKZ-NSHDSACASA-N 1 0 318.381 -1.001 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC(N)=O)C2 ZINC001108648304 776313438 /nfs/dbraw/zinc/31/34/38/776313438.db2.gz FQWAZIVMXUFXFZ-TUAOUCFPSA-N 1 0 306.366 -1.420 20 30 DAEDRO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 ZINC001129385137 776329939 /nfs/dbraw/zinc/32/99/39/776329939.db2.gz JNFYSXFJNSGEBK-OLZOCXBDSA-N 1 0 321.385 -1.279 20 30 DAEDRO 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C=CCC[NH+]1CCN(C(=O)[C@H](C)NC(=O)Cn2cnnn2)CC1 ZINC001113514435 776410953 /nfs/dbraw/zinc/41/09/53/776410953.db2.gz NVJUIPXZVHPBNX-LBPRGKRZSA-N 1 0 321.385 -1.102 20 30 DAEDRO N#CCNC(=O)CN1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001113543924 776412035 /nfs/dbraw/zinc/41/20/35/776412035.db2.gz MBURMDRHRGOZAG-UHFFFAOYSA-N 1 0 305.382 -1.134 20 30 DAEDRO C=CCC[NH+]1CCN(C(=O)[C@@H](C)NC(=O)Cn2cnnn2)CC1 ZINC001113522912 776412777 /nfs/dbraw/zinc/41/27/77/776412777.db2.gz NVJUIPXZVHPBNX-GFCCVEGCSA-N 1 0 321.385 -1.102 20 30 DAEDRO COc1ccc(C(=O)NCCC[NH2+]CC(=O)NCC#N)nn1 ZINC001170155827 776414479 /nfs/dbraw/zinc/41/44/79/776414479.db2.gz JXBBDKSBAXVZIV-UHFFFAOYSA-N 1 0 306.326 -1.166 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1ccc(OC)nn1 ZINC001170162849 776419364 /nfs/dbraw/zinc/41/93/64/776419364.db2.gz IVKTYAXZFWKCQP-UHFFFAOYSA-N 1 0 305.338 -1.056 20 30 DAEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(C)=O ZINC001113792693 776423345 /nfs/dbraw/zinc/42/33/45/776423345.db2.gz 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304.350 -1.939 20 30 DAEDRO C#CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001114170456 776455748 /nfs/dbraw/zinc/45/57/48/776455748.db2.gz QRTPHDTWSGIJFN-ZAZJYDDPSA-N 1 0 318.377 -1.597 20 30 DAEDRO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(=O)NCC ZINC001114169936 776455865 /nfs/dbraw/zinc/45/58/65/776455865.db2.gz LQTYBMHHIXTJRN-UUIJZJDISA-N 1 0 320.393 -1.303 20 30 DAEDRO C#CCOCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001114268773 776465684 /nfs/dbraw/zinc/46/56/84/776465684.db2.gz QIPHYYNDTOOHMQ-ZAZJYDDPSA-N 1 0 319.361 -1.122 20 30 DAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)S(=O)(=O)N(C)C ZINC001114273696 776467204 /nfs/dbraw/zinc/46/72/04/776467204.db2.gz RIVLZHWYHJVUFX-PJXYFTJBSA-N 1 0 314.411 -1.596 20 30 DAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)CCNC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129427490 776471008 /nfs/dbraw/zinc/47/10/08/776471008.db2.gz CIPXLVBPBXOCSZ-NEPJUHHUSA-N 1 0 319.369 -1.299 20 30 DAEDRO COCC(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)[C@@H](n2ccnn2)C1 ZINC001129490301 776471306 /nfs/dbraw/zinc/47/13/06/776471306.db2.gz BCCICDGAJIZERN-MNOVXSKESA-N 1 0 321.341 -2.094 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc2n(n1)CCO2 ZINC001129545881 776472761 /nfs/dbraw/zinc/47/27/61/776472761.db2.gz AODLPTYCQAWLFE-JTQLQIEISA-N 1 0 305.338 -1.267 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(C)=O)C[C@@H]1n1ccnn1 ZINC001129521375 776472919 /nfs/dbraw/zinc/47/29/19/776472919.db2.gz DIJUJUWJCHTGNL-RTXFEEFZSA-N 1 0 304.354 -1.223 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnc2n[nH]nc2c1 ZINC001129583521 776475396 /nfs/dbraw/zinc/47/53/96/776475396.db2.gz RNCNSQUMDOOFNZ-VIFPVBQESA-N 1 0 315.337 -1.190 20 30 DAEDRO N#CCSCC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001129603622 776475644 /nfs/dbraw/zinc/47/56/44/776475644.db2.gz CSRCOGORHTZZDV-MNOVXSKESA-N 1 0 310.383 -1.131 20 30 DAEDRO C#CCO[C@@H](C)C(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001157879412 776475875 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ZINC001281618555 780686413 /nfs/dbraw/zinc/68/64/13/780686413.db2.gz NGRQYIFFVIKJSM-UHFFFAOYSA-N 1 0 322.369 -1.336 20 30 DAEDRO C#CCC[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001281637365 780687239 /nfs/dbraw/zinc/68/72/39/780687239.db2.gz SQHRMKXULZFWSH-QWHCGFSZSA-N 1 0 323.393 -1.014 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCNC(=O)C1 ZINC001281703686 780689828 /nfs/dbraw/zinc/68/98/28/780689828.db2.gz SIAFGSYWYNCHJQ-RYUDHWBXSA-N 1 0 308.382 -1.254 20 30 DAEDRO C#CC[NH+]1CCC(CO)(NC(=O)C[C@H](NC(C)=O)C(N)=O)CC1 ZINC001281820908 780692081 /nfs/dbraw/zinc/69/20/81/780692081.db2.gz SVKFQJXFSLHMJV-LBPRGKRZSA-N 1 0 324.381 -2.057 20 30 DAEDRO C#CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001282016320 780698960 /nfs/dbraw/zinc/69/89/60/780698960.db2.gz XKFJJCYUHHTZMQ-CPCZMJQVSA-N 1 0 320.393 -1.254 20 30 DAEDRO C[C@@H](NC(=O)c1ccc(=O)[nH]n1)[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001282096872 780701162 /nfs/dbraw/zinc/70/11/62/780701162.db2.gz QRUCHAQCZUNLKR-RKDXNWHRSA-N 1 0 306.326 -1.082 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)CCn1cnnn1 ZINC001282205757 780702063 /nfs/dbraw/zinc/70/20/63/780702063.db2.gz IOYAMBJNKUZLIF-QWRGUYRKSA-N 1 0 307.358 -1.705 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)CCn1cnnn1 ZINC001282205755 780702667 /nfs/dbraw/zinc/70/26/67/780702667.db2.gz IOYAMBJNKUZLIF-MNOVXSKESA-N 1 0 307.358 -1.705 20 30 DAEDRO CN(CC(C)(C)C[NH2+]CC(=O)NCC#N)C(=O)Cn1cnnn1 ZINC001282279172 780703610 /nfs/dbraw/zinc/70/36/10/780703610.db2.gz BWYLATDCBCNOMX-UHFFFAOYSA-N 1 0 322.373 -1.613 20 30 DAEDRO CNC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC#CCOC)C[C@H]21 ZINC001282861582 780717444 /nfs/dbraw/zinc/71/74/44/780717444.db2.gz OIKOQNMJOWHJGB-XYYAHUGASA-N 1 0 308.382 -1.141 20 30 DAEDRO C#CCNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3ncc[nH]3)[C@@H]2C1 ZINC001282886095 780717997 /nfs/dbraw/zinc/71/79/97/780717997.db2.gz AKTXSQICGLJWRC-XYYAHUGASA-N 1 0 315.377 -1.004 20 30 DAEDRO COCCC(=O)N1CCO[C@H]([C@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001282895849 780718131 /nfs/dbraw/zinc/71/81/31/780718131.db2.gz QBDPUGXQDIHKEI-RYUDHWBXSA-N 1 0 312.370 -1.132 20 30 DAEDRO C#CC[NH2+][C@H](C)[C@H]1CN(C(=O)Cn2ncn(C)c2=O)CCO1 ZINC001282912095 780720423 /nfs/dbraw/zinc/72/04/23/780720423.db2.gz NWUDYGXMZNCXMD-VXGBXAGGSA-N 1 0 307.354 -1.580 20 30 DAEDRO C=CC[NH2+][C@H](C)[C@H]1CN(C(=O)CN2C(=O)CNC2=O)CCO1 ZINC001282929564 780722569 /nfs/dbraw/zinc/72/25/69/780722569.db2.gz SEVYXGFCJOWSTC-GHMZBOCLSA-N 1 0 310.354 -1.070 20 30 DAEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC001282926479 780722916 /nfs/dbraw/zinc/72/29/16/780722916.db2.gz XLFYJFIJUJCCOE-GHMZBOCLSA-N 1 0 322.369 -1.074 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCNC1=O ZINC001283213362 780750756 /nfs/dbraw/zinc/75/07/56/780750756.db2.gz CFVDYPWHOLXGSS-RYUDHWBXSA-N 1 0 308.382 -1.254 20 30 DAEDRO C#CC[N@@H+](C)CCOCCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001283378248 780758013 /nfs/dbraw/zinc/75/80/13/780758013.db2.gz TXESLRXJLXHLTP-UHFFFAOYSA-N 1 0 322.365 -1.755 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H](CCNC(=O)[C@H]1COC(=O)N1)C(C)C ZINC001283441606 780760988 /nfs/dbraw/zinc/76/09/88/780760988.db2.gz IZDNZJZNBDFIJH-VXGBXAGGSA-N 1 0 324.381 -1.035 20 30 DAEDRO C[C@H](CN(C)C(=O)CNC(=O)C1CC1)[NH2+]CC(=O)NCC#N ZINC001283570814 780764985 /nfs/dbraw/zinc/76/49/85/780764985.db2.gz KZUYTADGJXXDHG-SNVBAGLBSA-N 1 0 309.370 -1.411 20 30 DAEDRO C#CCO[C@@H](C)C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001283609079 780766450 /nfs/dbraw/zinc/76/64/50/780766450.db2.gz XKZWOEMYNWWVTN-MNOVXSKESA-N 1 0 312.370 -1.083 20 30 DAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)C1CC1 ZINC001283725498 780770131 /nfs/dbraw/zinc/77/01/31/780770131.db2.gz WJHCUGVKDAHETQ-GXSJLCMTSA-N 1 0 312.370 -1.137 20 30 DAEDRO CC[C@H](NC(C)=O)C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001283681044 780770220 /nfs/dbraw/zinc/77/02/20/780770220.db2.gz RMYQUVNXOLLNHE-PWSUYJOCSA-N 1 0 311.386 -1.023 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)CCc1cn(C)nn1 ZINC001283721708 780770568 /nfs/dbraw/zinc/77/05/68/780770568.db2.gz DSWIJPZFVQLGML-GFCCVEGCSA-N 1 0 320.397 -1.066 20 30 DAEDRO CC[C@@H](NC(C)=O)C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001283681041 780770686 /nfs/dbraw/zinc/77/06/86/780770686.db2.gz RMYQUVNXOLLNHE-CMPLNLGQSA-N 1 0 311.386 -1.023 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)Cc1cc[nH]n1 ZINC001283743165 780771916 /nfs/dbraw/zinc/77/19/16/780771916.db2.gz QLMBSJPPWUJFFP-ZYHUDNBSSA-N 1 0 307.354 -1.843 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)Cc1nnc(C)[nH]1 ZINC001283758042 780773060 /nfs/dbraw/zinc/77/30/60/780773060.db2.gz ZEOQWLGAUDXQDB-ONGXEEELSA-N 1 0 322.369 -2.140 20 30 DAEDRO C=CCN1CC[C@H]([NH2+][C@H](CO)CNC(=O)Cn2ncnn2)C1=O ZINC001283756930 780773208 /nfs/dbraw/zinc/77/32/08/780773208.db2.gz OQDCBLAKDGRYKJ-QWRGUYRKSA-N 1 0 323.357 -2.473 20 30 DAEDRO C[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N)n1cccc1 ZINC001283746519 780773457 /nfs/dbraw/zinc/77/34/57/780773457.db2.gz XOWDWKAENPKLHD-RYUDHWBXSA-N 1 0 307.354 -1.244 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)c1ccc(C)nn1 ZINC001283757926 780774247 /nfs/dbraw/zinc/77/42/47/780774247.db2.gz XTAFPJZHHVAFIV-NWDGAFQWSA-N 1 0 319.365 -1.397 20 30 DAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001283769805 780775102 /nfs/dbraw/zinc/77/51/02/780775102.db2.gz GJALTZYISUDPRL-QWHCGFSZSA-N 1 0 311.382 -1.429 20 30 DAEDRO Cc1c(CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N)cnn1C ZINC001283764070 780775548 /nfs/dbraw/zinc/77/55/48/780775548.db2.gz JXENDQVZTMUDHN-LBPRGKRZSA-N 1 0 322.369 -2.023 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)c1nnn(C)n1 ZINC001283793276 780776314 /nfs/dbraw/zinc/77/63/14/780776314.db2.gz TYHXCHOCEVYSTC-BDAKNGLRSA-N 1 0 309.330 -2.972 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001283804432 780778142 /nfs/dbraw/zinc/77/81/42/780778142.db2.gz LCWDLGATDXWNRM-WOPDTQHZSA-N 1 0 324.381 -2.296 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001283804205 780778286 /nfs/dbraw/zinc/77/82/86/780778286.db2.gz MZJBDGQCIPSBDN-ZJUUUORDSA-N 1 0 323.353 -2.056 20 30 DAEDRO C=CCn1cc(C(=O)NC[C@@H](CO)[NH2+][C@H]2CCN(C)C2=O)nn1 ZINC001283814470 780779340 /nfs/dbraw/zinc/77/93/40/780779340.db2.gz WSTNMSPVEISIPD-QWRGUYRKSA-N 1 0 322.369 -1.625 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1nc(CC)oc1C ZINC001283813905 780779395 /nfs/dbraw/zinc/77/93/95/780779395.db2.gz RXRFEPIHXMHEOZ-NSHDSACASA-N 1 0 322.365 -1.025 20 30 DAEDRO C=CCC[NH2+][C@H](CO)CNC(=O)C1(n2cnnn2)CCOCC1 ZINC001283814508 780779465 /nfs/dbraw/zinc/77/94/65/780779465.db2.gz XDGLNAHTDMUUSM-LBPRGKRZSA-N 1 0 324.385 -1.178 20 30 DAEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001283814347 780779569 /nfs/dbraw/zinc/77/95/69/780779569.db2.gz FYLVPAIDNCWKRN-LLVKDONJSA-N 1 0 310.354 -1.431 20 30 DAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001283812453 780779596 /nfs/dbraw/zinc/77/95/96/780779596.db2.gz IBJXZOGMUFMXGS-SNVBAGLBSA-N 1 0 308.338 -2.212 20 30 DAEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC001283818944 780780562 /nfs/dbraw/zinc/78/05/62/780780562.db2.gz RWYFXFRIUIPUSQ-JTQLQIEISA-N 1 0 301.302 -1.116 20 30 DAEDRO C=CCN1CC[C@H]([NH2+][C@H](CO)CNC(=O)c2ccn(C)n2)C1=O ZINC001283827196 780782253 /nfs/dbraw/zinc/78/22/53/780782253.db2.gz IUHCZSLFNAJFGC-AAEUAGOBSA-N 1 0 321.381 -1.113 20 30 DAEDRO C#CCNC(=O)CN[C@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001283832827 780783418 /nfs/dbraw/zinc/78/34/18/780783418.db2.gz XTDSFMSITGWZIW-KBPBESRZSA-N 1 0 324.425 -1.323 20 30 DAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1cccc(C(N)=O)n1 ZINC001283832302 780783682 /nfs/dbraw/zinc/78/36/82/780783682.db2.gz SSJPUYQOVQUCAX-NSHDSACASA-N 1 0 320.349 -1.489 20 30 DAEDRO C=CCN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)c2nonc2C)C1=O ZINC001283832294 780784049 /nfs/dbraw/zinc/78/40/49/780784049.db2.gz SLTRTQSFOFCBDA-WDEREUQCSA-N 1 0 323.353 -1.155 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCNC(N)=O)[C@@H]1C ZINC001283929082 780788133 /nfs/dbraw/zinc/78/81/33/780788133.db2.gz ZWYDIOJDKQZUHN-GHMZBOCLSA-N 1 0 309.370 -1.627 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)C(C)=O)C1 ZINC001283947412 780788544 /nfs/dbraw/zinc/78/85/44/780788544.db2.gz QZLMFDCSAFBRAJ-DGCLKSJQSA-N 1 0 308.382 -1.207 20 30 DAEDRO C[C@@H]1C[C@H]([NH2+]CC(=O)NCC#N)CN1C(=O)c1cnnn1C ZINC001283967089 780789704 /nfs/dbraw/zinc/78/97/04/780789704.db2.gz HWNXLSQLWSOZSH-ZJUUUORDSA-N 1 0 305.342 -1.353 20 30 DAEDRO C#CCNC(=O)C[N@@H+]1CC[C@]2(NC(=O)CC(N)=O)CCC[C@@H]12 ZINC001284047853 780792587 /nfs/dbraw/zinc/79/25/87/780792587.db2.gz YZMCXEMAVBSCGT-IAQYHMDHSA-N 1 0 306.366 -1.276 20 30 DAEDRO Cn1nnc(C(=O)N[C@H]2CC[C@@H](C[NH2+]CC(=O)NCC#N)C2)n1 ZINC001284208797 780798726 /nfs/dbraw/zinc/79/87/26/780798726.db2.gz IVXCQSYILXHWDJ-ZJUUUORDSA-N 1 0 320.357 -1.662 20 30 DAEDRO Cn1nnc(C(=O)N[C@@H]2CC[C@H](C[NH2+]CC(=O)NCC#N)C2)n1 ZINC001284208794 780798987 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322.369 -1.866 20 30 DAEDRO CC1(C)CN(C(=O)[C@@H]2CCC(=O)N2)C[C@@H]1[NH2+]CC(=O)NCC#N ZINC001284337123 780808225 /nfs/dbraw/zinc/80/82/25/780808225.db2.gz YHZCKRRHXCRMHD-QWRGUYRKSA-N 1 0 321.381 -1.269 20 30 DAEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)CC ZINC001284370242 780809957 /nfs/dbraw/zinc/80/99/57/780809957.db2.gz DZVIWDZWGBWWES-JTQLQIEISA-N 1 0 300.359 -1.183 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1cnsn1 ZINC001284384978 780810894 /nfs/dbraw/zinc/81/08/94/780810894.db2.gz DOTINKAWSFMKTO-SECBINFHSA-N 1 0 311.367 -1.690 20 30 DAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1nnn(C)c1C ZINC001284399921 780813280 /nfs/dbraw/zinc/81/32/80/780813280.db2.gz HESDWXPSMBIMSB-LLVKDONJSA-N 1 0 324.385 -1.552 20 30 DAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001284400426 780813887 /nfs/dbraw/zinc/81/38/87/780813887.db2.gz LCKUZWARTLDZDX-UWVGGRQHSA-N 1 0 314.342 -2.194 20 30 DAEDRO COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C)S(C)(=O)=O ZINC001284425494 780814932 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/nfs/dbraw/zinc/59/14/91/781591491.db2.gz QTFIPOFLPRKVBB-UMSGYPCISA-N 1 0 319.398 -1.045 20 30 DAEDRO C=CCOC1CCC([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)CC1 ZINC001173314510 781593961 /nfs/dbraw/zinc/59/39/61/781593961.db2.gz RDBOQFQWLXENQM-SCEKKZKCSA-N 1 0 317.382 -1.110 20 30 DAEDRO C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cn(CC(N)=O)nn1)C2 ZINC001095061966 781594746 /nfs/dbraw/zinc/59/47/46/781594746.db2.gz DGKWTJQXXSADIL-SRVKXCTJSA-N 1 0 316.365 -1.021 20 30 DAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)Cn1cncn1 ZINC001150261382 781595436 /nfs/dbraw/zinc/59/54/36/781595436.db2.gz LPBPGJOABAFMTL-UHFFFAOYSA-N 1 0 309.330 -2.004 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](CCC)NC(N)=O ZINC001174650454 781598104 /nfs/dbraw/zinc/59/81/04/781598104.db2.gz GVEPCNWERQGZPL-LLVKDONJSA-N 1 0 311.386 -1.331 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CN1C(=O)CNC1=O ZINC001175549611 781606638 /nfs/dbraw/zinc/60/66/38/781606638.db2.gz ONRIOAJZKILOKU-JTQLQIEISA-N 1 0 323.353 -2.228 20 30 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IVECEWFUJBRPCY-UHFFFAOYSA-N 1 0 308.382 -1.156 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CS(=O)(=O)C(C)C ZINC001176349334 781618600 /nfs/dbraw/zinc/61/86/00/781618600.db2.gz IVOZRGDXVSGXII-UHFFFAOYSA-N 1 0 317.411 -1.345 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1COCCN1C(C)=O ZINC001176531306 781620342 /nfs/dbraw/zinc/62/03/42/781620342.db2.gz XKQBFWIKTCRSKQ-ZDUSSCGKSA-N 1 0 324.381 -1.921 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CN(CC)CCO1 ZINC001176635328 781621182 /nfs/dbraw/zinc/62/11/82/781621182.db2.gz BALDDRRCKLCMDE-KGLIPLIRSA-N 1 0 324.425 -1.059 20 30 DAEDRO CCN1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)C1 ZINC001176635806 781622246 /nfs/dbraw/zinc/62/22/46/781622246.db2.gz FSAXPAWBUDCZNB-GFCCVEGCSA-N 1 0 311.386 -1.557 20 30 DAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001177596102 781637165 /nfs/dbraw/zinc/63/71/65/781637165.db2.gz KEHALWAGAXPPTH-JTQLQIEISA-N 1 0 310.354 -1.563 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCc1cn(C)nn1 ZINC001177517738 781637602 /nfs/dbraw/zinc/63/76/02/781637602.db2.gz YAFIRQYKJPGRBS-GFCCVEGCSA-N 1 0 320.397 -1.019 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C)N1CCOCC1 ZINC001177576728 781637623 /nfs/dbraw/zinc/63/76/23/781637623.db2.gz OPILOPISZJUPES-KBPBESRZSA-N 1 0 324.425 -1.059 20 30 DAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001177600936 781638337 /nfs/dbraw/zinc/63/83/37/781638337.db2.gz IITZCBVKVNCWDY-WDEREUQCSA-N 1 0 324.381 -1.174 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)NC(C)=O)[C@H]1C ZINC001178081017 781642421 /nfs/dbraw/zinc/64/24/21/781642421.db2.gz ZFHRSMIILDJLLF-MDZLAQPJSA-N 1 0 308.382 -1.161 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cn2cnnn2)[C@H]1C ZINC001178085999 781642535 /nfs/dbraw/zinc/64/25/35/781642535.db2.gz NYPRLLWOOHLSEV-WOPDTQHZSA-N 1 0 319.369 -1.610 20 30 DAEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)CCn1cncn1 ZINC001178120512 781642550 /nfs/dbraw/zinc/64/25/50/781642550.db2.gz OUEMZLJYYBVMLM-RYUDHWBXSA-N 1 0 319.369 -1.113 20 30 DAEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)[C@@H]1COCCO1 ZINC001178144613 781643839 /nfs/dbraw/zinc/64/38/39/781643839.db2.gz YXJMTBHRTQYVDN-SRVKXCTJSA-N 1 0 310.354 -1.379 20 30 DAEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)c1nccnc1N ZINC001178371004 781644015 /nfs/dbraw/zinc/64/40/15/781644015.db2.gz HWVHKDNDNLKBBZ-UWVGGRQHSA-N 1 0 317.353 -1.109 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2COCCO2)[C@H]1C ZINC001178144189 781644074 /nfs/dbraw/zinc/64/40/74/781644074.db2.gz QXHWIHXSIMSDDI-RWMBFGLXSA-N 1 0 309.366 -1.270 20 30 DAEDRO COC(=O)NCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001178211271 781644117 /nfs/dbraw/zinc/64/41/17/781644117.db2.gz XUBBVOSMQSLNPD-UWVGGRQHSA-N 1 0 311.342 -1.439 20 30 DAEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)[C@H]1CCNC(=O)C1 ZINC001178456274 781646117 /nfs/dbraw/zinc/64/61/17/781646117.db2.gz RYJHKQYEQYMPNM-SRVKXCTJSA-N 1 0 321.381 -1.269 20 30 DAEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)[C@@H]1CN(C)CCO1 ZINC001178414484 781646752 /nfs/dbraw/zinc/64/67/52/781646752.db2.gz KCTKBRDONBQORC-AVGNSLFASA-N 1 0 323.397 -1.464 20 30 DAEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)c1cnn(C)c1N ZINC001178525485 781647096 /nfs/dbraw/zinc/64/70/96/781647096.db2.gz JOJCLFASOOBTRU-ONGXEEELSA-N 1 0 319.369 -1.165 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC(=O)NCC)[C@H]1C ZINC001178511976 781647374 /nfs/dbraw/zinc/64/73/74/781647374.db2.gz HJDLANGRMBUBQM-RYUDHWBXSA-N 1 0 308.382 -1.159 20 30 DAEDRO CC(=O)N1CC(C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]2C)C1 ZINC001178555242 781649068 /nfs/dbraw/zinc/64/90/68/781649068.db2.gz GRJBWLPBBZTHDL-GWCFXTLKSA-N 1 0 321.381 -1.317 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cc(=O)n(C)o2)[C@H]1C ZINC001178555336 781649569 /nfs/dbraw/zinc/64/95/69/781649569.db2.gz KRZGYCQMYGMIBP-QWRGUYRKSA-N 1 0 320.349 -1.080 20 30 DAEDRO C#CCO[C@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001178678396 781650158 /nfs/dbraw/zinc/65/01/58/781650158.db2.gz IQFPKZRJRWVVIZ-AXFHLTTASA-N 1 0 310.354 -1.201 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCNC(=O)NC)[C@H]1C ZINC001178627916 781650714 /nfs/dbraw/zinc/65/07/14/781650714.db2.gz WRKQSZHWBAPJCJ-RYUDHWBXSA-N 1 0 323.397 -1.366 20 30 DAEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2ncnn2)[C@H]1C ZINC001178722346 781650942 /nfs/dbraw/zinc/65/09/42/781650942.db2.gz SDYKSBKRKNCBCI-QWRGUYRKSA-N 1 0 307.358 -1.446 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2ncnn2)[C@H]1C ZINC001178715595 781651351 /nfs/dbraw/zinc/65/13/51/781651351.db2.gz DZETWUVRHPUXHZ-QWRGUYRKSA-N 1 0 305.342 -1.999 20 30 DAEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)C[C@@H]1CCNC1=O ZINC001178871191 781653785 /nfs/dbraw/zinc/65/37/85/781653785.db2.gz ZMAHSIOIGOLJMA-SRVKXCTJSA-N 1 0 321.381 -1.269 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CNC(=O)NC)[C@H]1C ZINC001178849310 781654252 /nfs/dbraw/zinc/65/42/52/781654252.db2.gz JXIBUOFRNLVWPD-SRVKXCTJSA-N 1 0 323.397 -1.368 20 30 DAEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)[C@H]1CC(=O)N(C)C1 ZINC001178817458 781654550 /nfs/dbraw/zinc/65/45/50/781654550.db2.gz DDSHMCBYJNACKT-SRVKXCTJSA-N 1 0 321.381 -1.317 20 30 DAEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)[C@H]1C ZINC001179300027 781657446 /nfs/dbraw/zinc/65/74/46/781657446.db2.gz GLBIQGGOHZBERA-SRVKXCTJSA-N 1 0 323.397 -1.109 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)[C@H]1C ZINC001179392560 781658152 /nfs/dbraw/zinc/65/81/52/781658152.db2.gz LIBUGUPDOWNKQP-RWMBFGLXSA-N 1 0 320.393 -1.064 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2nnn(C)n2)[C@H]1C ZINC001179332369 781658669 /nfs/dbraw/zinc/65/86/69/781658669.db2.gz NJJHZTSLRKLNHR-VWYCJHECSA-N 1 0 319.369 -1.459 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](C)CC(N)=O)[C@H]1C ZINC001179327369 781658829 /nfs/dbraw/zinc/65/88/29/781658829.db2.gz NCCXQTDQOKGHKS-WOPDTQHZSA-N 1 0 308.382 -1.174 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCN(C)C2=O)[C@H]1C ZINC001179364887 781658865 /nfs/dbraw/zinc/65/88/65/781658865.db2.gz QDYUKCSLVDHRKP-XQQFMLRXSA-N 1 0 320.393 -1.207 20 30 DAEDRO C[C@H](CC(N)=O)C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001179303599 781658976 /nfs/dbraw/zinc/65/89/76/781658976.db2.gz ILXXBQQYMJWPIK-VWYCJHECSA-N 1 0 309.370 -1.283 20 30 DAEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)[C@H]1C ZINC001179543528 781661972 /nfs/dbraw/zinc/66/19/72/781661972.db2.gz BFNNDRWBZMZVMW-USZNOCQGSA-N 1 0 308.382 -1.011 20 30 DAEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)CCNC(N)=O ZINC001180096155 781664476 /nfs/dbraw/zinc/66/44/76/781664476.db2.gz ISFYPLJILZRJRV-UWVGGRQHSA-N 1 0 310.358 -1.736 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)Cn2cncn2)[C@H]1C ZINC001180092521 781665528 /nfs/dbraw/zinc/66/55/28/781665528.db2.gz VGPRJESVAJSJJZ-AVGNSLFASA-N 1 0 318.381 -1.005 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2cncn2)[C@H]1C ZINC001180092025 781665539 /nfs/dbraw/zinc/66/55/39/781665539.db2.gz NYTFEMDTDDXPLG-RYUDHWBXSA-N 1 0 304.354 -1.394 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)CNC(C)=O)C[C@H]1C ZINC001180423285 781671780 /nfs/dbraw/zinc/67/17/80/781671780.db2.gz GMLZQZVVNZLQSR-MLGOLLRUSA-N 1 0 322.409 -1.054 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2=O)C1 ZINC001180870245 781678797 /nfs/dbraw/zinc/67/87/97/781678797.db2.gz BXLCUIWVWJOWIV-GFCCVEGCSA-N 1 0 306.366 -1.451 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCCC2=O)C1 ZINC001180871424 781680268 /nfs/dbraw/zinc/68/02/68/781680268.db2.gz XSUYVWURNXIUJA-CHWSQXEVSA-N 1 0 320.393 -1.063 20 30 DAEDRO C=CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)CNC(N)=O)C2)C1=O ZINC001180906010 781680626 /nfs/dbraw/zinc/68/06/26/781680626.db2.gz KKARLKHTNVVYIQ-GHMZBOCLSA-N 1 0 309.370 -1.368 20 30 DAEDRO CNC(=O)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NCC#N)C1 ZINC001181239408 781685342 /nfs/dbraw/zinc/68/53/42/781685342.db2.gz AIKUWNQPDKKZBP-IAQYHMDHSA-N 1 0 323.397 -1.164 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)=O)C1 ZINC001181138801 781685826 /nfs/dbraw/zinc/68/58/26/781685826.db2.gz YOEKJYATJFQYJC-WCQYABFASA-N 1 0 308.382 -1.207 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CNC(=O)C2CC2)C1 ZINC001181226088 781685865 /nfs/dbraw/zinc/68/58/65/781685865.db2.gz UANXGPSSBFCRLC-DGCLKSJQSA-N 1 0 320.393 -1.159 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CNC(=O)OC)C1 ZINC001181279435 781686154 /nfs/dbraw/zinc/68/61/54/781686154.db2.gz JTHXDCBFASZSJJ-WDEREUQCSA-N 1 0 310.354 -1.329 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001181325985 781687010 /nfs/dbraw/zinc/68/70/10/781687010.db2.gz ONSKKCXSOCUSCW-SNVBAGLBSA-N 1 0 301.368 -2.029 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(=O)CCC)C1 ZINC001181369634 781688321 /nfs/dbraw/zinc/68/83/21/781688321.db2.gz MALRCLKWOIFWGD-GFCCVEGCSA-N 1 0 308.382 -1.157 20 30 DAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001181822126 781694462 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DAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001151306831 781722409 /nfs/dbraw/zinc/72/24/09/781722409.db2.gz UHYRGPGSXOPRJO-NXEZZACHSA-N 1 0 318.399 -1.925 20 30 DAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001151306833 781722689 /nfs/dbraw/zinc/72/26/89/781722689.db2.gz UHYRGPGSXOPRJO-VHSXEESVSA-N 1 0 318.399 -1.925 20 30 DAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCCn2ccnn2)C1 ZINC001183193759 781723011 /nfs/dbraw/zinc/72/30/11/781723011.db2.gz QZOLSAVNGPOSKR-GFCCVEGCSA-N 1 0 319.369 -1.111 20 30 DAEDRO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001183353885 781723732 /nfs/dbraw/zinc/72/37/32/781723732.db2.gz FXBNZOPPNYLDHM-NEPJUHHUSA-N 1 0 321.381 -1.531 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC001183222324 781724365 /nfs/dbraw/zinc/72/43/65/781724365.db2.gz LXVHRFWVGYZOQM-NWDGAFQWSA-N 1 0 306.366 -1.548 20 30 DAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001183345418 781724461 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20 30 DAEDRO C[C@]1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)CCNC(=O)C1 ZINC001183590290 781726799 /nfs/dbraw/zinc/72/67/99/781726799.db2.gz BACNPRAVJZCFRE-ABAIWWIYSA-N 1 0 321.381 -1.267 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccn(C)c(=O)c2)C1 ZINC001183682904 781728639 /nfs/dbraw/zinc/72/86/39/781728639.db2.gz DOFDVHAJCIZGRY-CYBMUJFWSA-N 1 0 316.361 -1.061 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)S(C)(=O)=O)C1 ZINC001183657177 781729807 /nfs/dbraw/zinc/72/98/07/781729807.db2.gz MAFIMINACRUZQI-WDEREUQCSA-N 1 0 315.395 -1.641 20 30 DAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCNC2=O)C1 ZINC001183930567 781737376 /nfs/dbraw/zinc/73/73/76/781737376.db2.gz KGOUIZCMWDMRRH-LLVKDONJSA-N 1 0 322.369 -1.768 20 30 DAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCNC2=O)C1 ZINC001183930889 781737991 /nfs/dbraw/zinc/73/79/91/781737991.db2.gz UHQJPDNNUPFSFR-GFCCVEGCSA-N 1 0 323.397 -1.106 20 30 DAEDRO C[C@@H]1CN(C(=O)CC(N)=O)CC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001184097389 781743325 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DAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CC(=O)NC)C[C@@H]1C ZINC001184242286 781746665 /nfs/dbraw/zinc/74/66/65/781746665.db2.gz UFEWGXFTZFKHNO-QWHCGFSZSA-N 1 0 322.409 -1.054 20 30 DAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)cn2)C1 ZINC001184433679 781748298 /nfs/dbraw/zinc/74/82/98/781748298.db2.gz LHRAURWDIXGBFA-LLVKDONJSA-N 1 0 319.365 -1.113 20 30 DAEDRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]CC#CCOC)C1 ZINC001184618482 781749871 /nfs/dbraw/zinc/74/98/71/781749871.db2.gz BTUZTIOGBMNEDD-LLVKDONJSA-N 1 0 318.399 -2.120 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2C)C1 ZINC001184792316 781751364 /nfs/dbraw/zinc/75/13/64/781751364.db2.gz JIRNCLOTHAXBQP-OLZOCXBDSA-N 1 0 320.393 -1.063 20 30 DAEDRO C#CC[NH2+]C[C@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C[C@@H]1C ZINC001184701270 781751415 /nfs/dbraw/zinc/75/14/15/781751415.db2.gz JMRQGQNILBXVNN-GXTWGEPZSA-N 1 0 322.409 -1.054 20 30 DAEDRO C#CC[NH2+]C[C@H]1CCN(C(=O)CNS(=O)(=O)NC)C[C@@H]1C ZINC001184891419 781752314 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20 30 DAEDRO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ccc(=O)n(C)c1=O ZINC000960176302 664317057 /nfs/dbraw/zinc/31/70/57/664317057.db2.gz SLLZGUQEMFLFCP-YABSGUDNSA-N 1 0 304.350 -1.221 20 30 DAEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000961931128 664362545 /nfs/dbraw/zinc/36/25/45/664362545.db2.gz JOUSOAOXIJFSJL-PJXYFTJBSA-N 1 0 316.361 -1.233 20 30 DAEDRO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC000967944949 664468301 /nfs/dbraw/zinc/46/83/01/664468301.db2.gz TXJSCAYTMBDHKM-WDEREUQCSA-N 1 0 307.354 -1.705 20 30 DAEDRO C[C@H](C#N)C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC000967944944 664468528 /nfs/dbraw/zinc/46/85/28/664468528.db2.gz TXJSCAYTMBDHKM-GHMZBOCLSA-N 1 0 307.354 -1.705 20 30 DAEDRO C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC000968382009 664476848 /nfs/dbraw/zinc/47/68/48/664476848.db2.gz IMEWWSPWGQPZOI-MNOVXSKESA-N 1 0 320.349 -1.133 20 30 DAEDRO 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C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C1CC1 ZINC001125997653 775318492 /nfs/dbraw/zinc/31/84/92/775318492.db2.gz CHVAKHQTYKTRFX-NSHDSACASA-N 1 0 308.382 -1.254 20 30 DAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001125997902 775319295 /nfs/dbraw/zinc/31/92/95/775319295.db2.gz GCNSMOWBJAPFTL-UHFFFAOYSA-N 1 0 323.353 -2.226 20 30 DAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CC(=O)NCC ZINC001126002889 775320134 /nfs/dbraw/zinc/32/01/34/775320134.db2.gz OOXGSLQPBMGPCC-UHFFFAOYSA-N 1 0 313.358 -1.770 20 30 DAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cncnc1 ZINC001126093303 775327218 /nfs/dbraw/zinc/32/72/18/775327218.db2.gz BBCWBQBYFPIDJQ-UHFFFAOYSA-N 1 0 306.326 -1.192 20 30 DAEDRO N#CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCNC2=O)CCCC1 ZINC001268036908 775331553 /nfs/dbraw/zinc/33/15/53/775331553.db2.gz FECJNNKZYMDLPQ-NSHDSACASA-N 1 0 321.381 -1.219 20 30 DAEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@H](C)NC(N)=O ZINC001126199586 775334879 /nfs/dbraw/zinc/33/48/79/775334879.db2.gz WMNZSVYPVNFEET-JTQLQIEISA-N 1 0 312.374 -1.489 20 30 DAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)c1cnn(C)c1N ZINC001268059957 775340034 /nfs/dbraw/zinc/34/00/34/775340034.db2.gz QYQDJNLFQWDERF-VIFPVBQESA-N 1 0 307.358 -1.308 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)Cc1nnc(C)[nH]1 ZINC001268062741 775340791 /nfs/dbraw/zinc/34/07/91/775340791.db2.gz GRNRTERTXMZSKK-JTQLQIEISA-N 1 0 306.370 -1.158 20 30 DAEDRO COCC#CC[NH2+]C[C@H](C)N(C)C(=O)CN(C)S(C)(=O)=O ZINC001268067241 775340920 /nfs/dbraw/zinc/34/09/20/775340920.db2.gz RXGASPYVTVOJJJ-LBPRGKRZSA-N 1 0 319.427 -1.036 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCN(C)C1=O ZINC001268079901 775341766 /nfs/dbraw/zinc/34/17/66/775341766.db2.gz FAZDHYQYXHPOEE-NWDGAFQWSA-N 1 0 308.382 -1.349 20 30 DAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001268079057 775341805 /nfs/dbraw/zinc/34/18/05/775341805.db2.gz OAIJBGYASMEGTD-MNOVXSKESA-N 1 0 309.370 -1.317 20 30 DAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)CCc1cn[nH]n1 ZINC001268086436 775343357 /nfs/dbraw/zinc/34/33/57/775343357.db2.gz MLCJRDBVDSFVGH-SNVBAGLBSA-N 1 0 307.358 -1.186 20 30 DAEDRO C#CC[NH2+]C[C@@H](C)N(C)C(=O)Cn1ncn2nccc2c1=O ZINC001268085750 775343384 /nfs/dbraw/zinc/34/33/84/775343384.db2.gz IKXAGQJRVUVPRF-LLVKDONJSA-N 1 0 302.338 -1.039 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CCn1cnnn1 ZINC001268091878 775345257 /nfs/dbraw/zinc/34/52/57/775345257.db2.gz HJJKRUVWTVCDHK-VXGBXAGGSA-N 1 0 321.385 -1.362 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)CCn1cnnn1 ZINC001268091876 775346079 /nfs/dbraw/zinc/34/60/79/775346079.db2.gz HJJKRUVWTVCDHK-RYUDHWBXSA-N 1 0 321.385 -1.362 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)CCn1cnnn1 ZINC001268091875 775346194 /nfs/dbraw/zinc/34/61/94/775346194.db2.gz HJJKRUVWTVCDHK-NWDGAFQWSA-N 1 0 321.385 -1.362 20 30 DAEDRO C=CCn1cc(C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)nn1 ZINC001167847191 775346563 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DAEDRO CC(C)[C@H](CNC(=O)c1cn(C)nn1)[NH2+]CC(=O)NCC#N ZINC001268208752 775353072 /nfs/dbraw/zinc/35/30/72/775353072.db2.gz NHMHYFHHPAKWOB-JTQLQIEISA-N 1 0 307.358 -1.201 20 30 DAEDRO C#CC[N@@H+](C)CCN(C)C(=O)Cn1ncn2nccc2c1=O ZINC001268253355 775355043 /nfs/dbraw/zinc/35/50/43/775355043.db2.gz MCRZUFIOJSTINL-UHFFFAOYSA-N 1 0 302.338 -1.086 20 30 DAEDRO N#CCNC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)c3nc[nH]n3)CC[C@@H]21 ZINC001268269957 775357549 /nfs/dbraw/zinc/35/75/49/775357549.db2.gz WFNZYCYRIYEQOU-QWRGUYRKSA-N 1 0 317.353 -1.019 20 30 DAEDRO Cn1nnc(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CC(=O)NCC#N)n1 ZINC001268283957 775357754 /nfs/dbraw/zinc/35/77/54/775357754.db2.gz MGVQARIHCNLUMS-NXEZZACHSA-N 1 0 320.357 -1.662 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cn1cnnn1 ZINC001268268516 775357820 /nfs/dbraw/zinc/35/78/20/775357820.db2.gz KHRFPPHJYCNPGN-NEPJUHHUSA-N 1 0 319.369 -1.703 20 30 DAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(C#N)c1 ZINC001268304901 775361509 /nfs/dbraw/zinc/36/15/09/775361509.db2.gz QVHBYPISCBQISR-GFCCVEGCSA-N 1 0 305.338 -1.131 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1(F)CCOCC1 ZINC001268305046 775362530 /nfs/dbraw/zinc/36/25/30/775362530.db2.gz DJGOEWQEWWAUMH-LLVKDONJSA-N 1 0 315.345 -1.679 20 30 DAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001268305119 775363347 /nfs/dbraw/zinc/36/33/47/775363347.db2.gz DRDBEAJSUJDKNJ-STQMWFEESA-N 1 0 311.382 -1.429 20 30 DAEDRO Cc1c(CC(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N)cnn1C ZINC001268307719 775364860 /nfs/dbraw/zinc/36/48/60/775364860.db2.gz HWZGERSWTLUBPT-GFCCVEGCSA-N 1 0 322.369 -2.023 20 30 DAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001268315634 775367520 /nfs/dbraw/zinc/36/75/20/775367520.db2.gz PMSWLQBEFWWOTE-QWHCGFSZSA-N 1 0 311.382 -1.429 20 30 DAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1c(C)nc[nH]c1=O ZINC001268320065 775368887 /nfs/dbraw/zinc/36/88/87/775368887.db2.gz NMPSFWVVJIUVFC-NSHDSACASA-N 1 0 308.338 -1.179 20 30 DAEDRO COc1ncccc1C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001268324136 775370316 /nfs/dbraw/zinc/37/03/16/775370316.db2.gz RXZJAKFFQUTJHG-SNVBAGLBSA-N 1 0 321.337 -1.590 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)Cc1c[nH]cn1 ZINC001268324412 775371199 /nfs/dbraw/zinc/37/11/99/775371199.db2.gz NXCPNYYBDWIGFJ-JQWIXIFHSA-N 1 0 307.354 -1.843 20 30 DAEDRO C#CCOc1ccc(C(=O)NC[C@H](O)C[NH2+]CC(N)=O)cc1 ZINC001268326545 775371693 /nfs/dbraw/zinc/37/16/93/775371693.db2.gz XOEPNSPKQRAHSX-GFCCVEGCSA-N 1 0 305.334 -1.136 20 30 DAEDRO C=CCN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)c2cnn(C)n2)C1=O ZINC001268327499 775371878 /nfs/dbraw/zinc/37/18/78/775371878.db2.gz JMWYJGXGMZLXLQ-MNOVXSKESA-N 1 0 322.369 -1.718 20 30 DAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)C(C)(C)NS(C)(=O)=O ZINC001268326490 775373013 /nfs/dbraw/zinc/37/30/13/775373013.db2.gz FOAUNFKIEYKOIR-JTQLQIEISA-N 1 0 305.400 -1.596 20 30 DAEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)C1(n2cnnn2)CCOCC1 ZINC001268327457 775373325 /nfs/dbraw/zinc/37/33/25/775373325.db2.gz 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C=CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)c1cnnn1C ZINC001278069528 780425342 /nfs/dbraw/zinc/42/53/42/780425342.db2.gz AYNRTPKVHJREHH-ZJUUUORDSA-N 1 0 310.358 -1.814 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cccc(=O)[nH]1 ZINC001278062002 780425397 /nfs/dbraw/zinc/42/53/97/780425397.db2.gz PGCAGARQSPJHCR-JTQLQIEISA-N 1 0 306.322 -1.783 20 30 DAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)CO[C@@H]1CCOC1 ZINC001278077401 780425452 /nfs/dbraw/zinc/42/54/52/780425452.db2.gz IVAREOASNWIAOD-CHWSQXEVSA-N 1 0 300.355 -1.492 20 30 DAEDRO N#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)CC1CCOCC1 ZINC001278063116 780425627 /nfs/dbraw/zinc/42/56/27/780425627.db2.gz ZHCRMKDVHDCVHT-GFCCVEGCSA-N 1 0 312.370 -1.490 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)c1nnn(C)c1C ZINC001278062410 780426025 /nfs/dbraw/zinc/42/60/25/780426025.db2.gz STIREQOCVAVBNC-MWLCHTKSSA-N 1 0 322.369 -2.058 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)c1nnn(C)c1C ZINC001278062408 780426076 /nfs/dbraw/zinc/42/60/76/780426076.db2.gz STIREQOCVAVBNC-GXSJLCMTSA-N 1 0 322.369 -2.058 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)Cc1nnc(C)o1 ZINC001278071275 780426148 /nfs/dbraw/zinc/42/61/48/780426148.db2.gz NKNUIGGXMYRNCI-JTQLQIEISA-N 1 0 309.326 -2.263 20 30 DAEDRO O=C(C#CC1CC1)NC[C@H](CO)[NH2+]CC(=O)N1CCOCC1 ZINC001278077505 780426904 /nfs/dbraw/zinc/42/69/04/780426904.db2.gz JYZGMMRCSYSBJA-CYBMUJFWSA-N 1 0 309.366 -1.675 20 30 DAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1cnc(N(C)C)cn1 ZINC001278077510 780427530 /nfs/dbraw/zinc/42/75/30/780427530.db2.gz KAESITOXMNWJPJ-LBPRGKRZSA-N 1 0 321.381 -1.127 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@]1(CC)CCNC1=O ZINC001278099153 780427603 /nfs/dbraw/zinc/42/76/03/780427603.db2.gz FGXIOISNFKRIQF-NHYWBVRUSA-N 1 0 324.381 -2.281 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cn(C)ccc1=O ZINC001278111927 780428278 /nfs/dbraw/zinc/42/82/78/780428278.db2.gz GIUUOLQOUVMVDP-NSHDSACASA-N 1 0 320.349 -2.185 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001278105033 780428715 /nfs/dbraw/zinc/42/87/15/780428715.db2.gz DWAVCOPWABMJMT-NWDGAFQWSA-N 1 0 324.381 -2.329 20 30 DAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@]1(F)CCOC1 ZINC001278138728 780430925 /nfs/dbraw/zinc/43/09/25/780430925.db2.gz OEMVCJXYPKLZSV-GXFFZTMASA-N 1 0 303.334 -1.516 20 30 DAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)c1c[nH]c(=O)cn1 ZINC001278139618 780431177 /nfs/dbraw/zinc/43/11/77/780431177.db2.gz TYLQMLRCVNEBGM-ZJUUUORDSA-N 1 0 323.353 -1.859 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ccn(CC)n1 ZINC001278165123 780431727 /nfs/dbraw/zinc/43/17/27/780431727.db2.gz UDPFBHOSSSQMMQ-LLVKDONJSA-N 1 0 307.354 -1.667 20 30 DAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@]1(C)CCNC1=O ZINC001278154462 780432234 /nfs/dbraw/zinc/43/22/34/780432234.db2.gz FCTVBPPBTAGHHE-IINYFYTJSA-N 1 0 312.370 -2.119 20 30 DAEDRO C=C1CC(C)(C(=O)NC[C@H](CO)[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001278146572 780432380 /nfs/dbraw/zinc/43/23/80/780432380.db2.gz HJTMLAJSHKVNJT-LLVKDONJSA-N 1 0 324.381 -1.039 20 30 DAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1cncc(OC)n1 ZINC001278164903 780432485 /nfs/dbraw/zinc/43/24/85/780432485.db2.gz PETYHSNAERZPSR-NSHDSACASA-N 1 0 308.338 -1.185 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cn(CC)nn1 ZINC001278178107 780433305 /nfs/dbraw/zinc/43/33/05/780433305.db2.gz BCFOGSVYCZQUCK-SNVBAGLBSA-N 1 0 308.342 -2.272 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)C1(C(=O)NC)CC1 ZINC001278171069 780433861 /nfs/dbraw/zinc/43/38/61/780433861.db2.gz AQSRIHKERTWHBG-GHMZBOCLSA-N 1 0 324.381 -2.283 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)c1ccc(=O)[nH]c1 ZINC001278193946 780434768 /nfs/dbraw/zinc/43/47/68/780434768.db2.gz FGRGMLJEIALKIW-ZYHUDNBSSA-N 1 0 320.349 -1.395 20 30 DAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1ccc(=O)n(C)n1 ZINC001278195057 780434929 /nfs/dbraw/zinc/43/49/29/780434929.db2.gz OGDLIPMFZDHMKL-LLVKDONJSA-N 1 0 308.338 -1.890 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cncnc1CC ZINC001278193677 780435306 /nfs/dbraw/zinc/43/53/06/780435306.db2.gz AYKIHXJAPSZETJ-LLVKDONJSA-N 1 0 319.365 -1.531 20 30 DAEDRO CNS(=O)(=O)CC(=O)NC[C@@H](CO)[NH2+]CC#CCOC ZINC001278201905 780435457 /nfs/dbraw/zinc/43/54/57/780435457.db2.gz MBTWBPFVXBNZPK-JTQLQIEISA-N 1 0 307.372 -2.748 20 30 DAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1ccc(=O)n(C)n1 ZINC001278195058 780435494 /nfs/dbraw/zinc/43/54/94/780435494.db2.gz OGDLIPMFZDHMKL-NSHDSACASA-N 1 0 308.338 -1.890 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)c1ccc(=O)[nH]c1 ZINC001278193945 780435746 /nfs/dbraw/zinc/43/57/46/780435746.db2.gz FGRGMLJEIALKIW-PWSUYJOCSA-N 1 0 320.349 -1.395 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)c1[nH]cnc1C ZINC001278212577 780436281 /nfs/dbraw/zinc/43/62/81/780436281.db2.gz KUJYXQHAINKCGD-GHMZBOCLSA-N 1 0 307.354 -1.464 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)Cn1ccnc1 ZINC001278212537 780437002 /nfs/dbraw/zinc/43/70/02/780437002.db2.gz KBTRUSOOBQJNQH-NEPJUHHUSA-N 1 0 307.354 -1.912 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC(=O)NCC)[C@@H]1C ZINC001278242578 780438203 /nfs/dbraw/zinc/43/82/03/780438203.db2.gz HJDLANGRMBUBQM-NEPJUHHUSA-N 1 0 308.382 -1.159 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)COCCOC)[C@@H]1C ZINC001278234648 780438234 /nfs/dbraw/zinc/43/82/34/780438234.db2.gz RAORHLWHXJLWAU-OLZOCXBDSA-N 1 0 311.382 -1.022 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)COCCOC)[C@@H]1C ZINC001278234647 780438326 /nfs/dbraw/zinc/43/83/26/780438326.db2.gz RAORHLWHXJLWAU-CHWSQXEVSA-N 1 0 311.382 -1.022 20 30 DAEDRO C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CNC(=O)NC)CC2)C1 ZINC001278341399 780445431 /nfs/dbraw/zinc/44/54/31/780445431.db2.gz HZQRQJAJLIATGL-CYBMUJFWSA-N 1 0 307.398 -1.233 20 30 DAEDRO C[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CN1C(=O)C(=O)NCC1CC1 ZINC001278408143 780446549 /nfs/dbraw/zinc/44/65/49/780446549.db2.gz BTAPVNMWQFJSQZ-CMPLNLGQSA-N 1 0 321.381 -1.269 20 30 DAEDRO C#CCOCCC(=O)N1C[C@H]([NH2+]CC(=O)NC(N)=O)C[C@@H]1C ZINC001278370721 780446741 /nfs/dbraw/zinc/44/67/41/780446741.db2.gz LWORFSSATKESTG-WDEREUQCSA-N 1 0 310.354 -1.200 20 30 DAEDRO C[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)CN1C(=O)CCc1cn[nH]n1 ZINC001278404303 780446808 /nfs/dbraw/zinc/44/68/08/780446808.db2.gz MVTUETBFFTYQOD-JQWIXIFHSA-N 1 0 319.369 -1.044 20 30 DAEDRO C[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CN1C(=O)CCc1cn[nH]n1 ZINC001278404302 780446958 /nfs/dbraw/zinc/44/69/58/780446958.db2.gz MVTUETBFFTYQOD-CMPLNLGQSA-N 1 0 319.369 -1.044 20 30 DAEDRO C[C@@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CN1C(=O)CCCC(N)=O ZINC001278430358 780449185 /nfs/dbraw/zinc/44/91/85/780449185.db2.gz GYUDGRYOUUCWHW-GHMZBOCLSA-N 1 0 309.370 -1.139 20 30 DAEDRO C#CCNC(=O)C[N@@H+]1CC[C@]2(NC(=O)CNC(C)=O)CCC[C@H]12 ZINC001278430197 780449277 /nfs/dbraw/zinc/44/92/77/780449277.db2.gz GJAOCHPYKQNFJZ-XJKSGUPXSA-N 1 0 320.393 -1.015 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)CCNC(N)=O)C1 ZINC001278577043 780462712 /nfs/dbraw/zinc/46/27/12/780462712.db2.gz MQEJIFSTDCBSLF-HNNXBMFYSA-N 1 0 323.397 -1.378 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)CNC(=O)OC)C1 ZINC001278547948 780462802 /nfs/dbraw/zinc/46/28/02/780462802.db2.gz XEDZIUJLOOOXMS-NWDGAFQWSA-N 1 0 324.381 -1.034 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CCNC(N)=O)C1 ZINC001278612969 780462854 /nfs/dbraw/zinc/46/28/54/780462854.db2.gz ICITXZBDWCTZLB-NEPJUHHUSA-N 1 0 323.397 -1.331 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)Cn2cnnn2)CC1(C)C ZINC001278618235 780463823 /nfs/dbraw/zinc/46/38/23/780463823.db2.gz IDMRCHHLRVGVDV-NSHDSACASA-N 1 0 319.369 -1.751 20 30 DAEDRO C#CC[N@H+](C)CCCNC(=O)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC001251528041 780466201 /nfs/dbraw/zinc/46/62/01/780466201.db2.gz CKPACIRLXHJFBE-ZDUSSCGKSA-N 1 0 317.411 -1.210 20 30 DAEDRO C#CC[NH2+][C@@H]1CN(C(=O)CNC(=O)CNC(C)=O)CC1(C)C ZINC001278651327 780470381 /nfs/dbraw/zinc/47/03/81/780470381.db2.gz MUIFFBLOBYHHAL-GFCCVEGCSA-N 1 0 308.382 -1.302 20 30 DAEDRO C=C[C@@](C)(O)C[NH2+]CCNC(=O)Cn1cc(C)c(=O)[nH]c1=O ZINC001252580104 780471409 /nfs/dbraw/zinc/47/14/09/780471409.db2.gz ATYBOPFJKIHTFJ-CQSZACIVSA-N 1 0 310.354 -1.100 20 30 DAEDRO C=CCOC[C@H](O)C[N@H+]1CC[C@@]2(C1)CNC(=O)CN2C(C)=O ZINC001252466708 780471765 /nfs/dbraw/zinc/47/17/65/780471765.db2.gz ROBPMSUXLVAVBE-HIFRSBDPSA-N 1 0 311.382 -1.027 20 30 DAEDRO CC1(C)CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001278667720 780472166 /nfs/dbraw/zinc/47/21/66/780472166.db2.gz SVMKUEYXBITJBZ-OUAUKWLOSA-N 1 0 321.381 -1.426 20 30 DAEDRO C#CCC[NH2+]C1(CNC(=O)Cn2ncn(C)c2=O)CCOCC1 ZINC001278714996 780474787 /nfs/dbraw/zinc/47/47/87/780474787.db2.gz JDNGBFUKQBDLQB-UHFFFAOYSA-N 1 0 321.381 -1.140 20 30 DAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1cnn(C)c1 ZINC001278730881 780476457 /nfs/dbraw/zinc/47/64/57/780476457.db2.gz HZADQOIIRBAHHM-LBPRGKRZSA-N 1 0 309.370 -1.255 20 30 DAEDRO CCc1cc(C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NCC#N)[nH]n1 ZINC001278732918 780476750 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320.393 -1.076 20 30 DAEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001265565684 780604542 /nfs/dbraw/zinc/60/45/42/780604542.db2.gz ZKLLRSYZGXNBNU-MXWKQRLJSA-N 1 0 305.342 -1.952 20 30 DAEDRO CN1C(=O)CC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001265554554 780604640 /nfs/dbraw/zinc/60/46/40/780604640.db2.gz VKMVPDSFUZYYPK-OUAUKWLOSA-N 1 0 307.354 -1.516 20 30 DAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H]2C(N)=O)C1 ZINC001265551823 780605087 /nfs/dbraw/zinc/60/50/87/780605087.db2.gz MZTZVSLDOLGPKV-LMLFDSFASA-N 1 0 307.354 -1.626 20 30 DAEDRO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)CNS(=O)(=O)NC ZINC001265649001 780605688 /nfs/dbraw/zinc/60/56/88/780605688.db2.gz KZWKCNJWRSHFLI-LLVKDONJSA-N 1 0 302.400 -1.356 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001265785136 780606837 /nfs/dbraw/zinc/60/68/37/780606837.db2.gz AEGFYLZIUPTZTG-BDAKNGLRSA-N 1 0 309.326 -2.572 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1cnc2n[nH]nc2c1 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C[C@H](C#N)C(=O)N1CCC[C@H](C(=O)NCC[NH2+]CC(N)=O)C1 ZINC001265878320 780611659 /nfs/dbraw/zinc/61/16/59/780611659.db2.gz ABBMOEJSDLCKAV-MNOVXSKESA-N 1 0 309.370 -1.424 20 30 DAEDRO N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001265898973 780612889 /nfs/dbraw/zinc/61/28/89/780612889.db2.gz CGUQRHSRMQPDIE-LBPRGKRZSA-N 1 0 309.370 -1.851 20 30 DAEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)CN(C)C(=O)COC)C1 ZINC001265910870 780613933 /nfs/dbraw/zinc/61/39/33/780613933.db2.gz SPAWHXNSDRQMII-ZDUSSCGKSA-N 1 0 311.382 -1.069 20 30 DAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001265953440 780615723 /nfs/dbraw/zinc/61/57/23/780615723.db2.gz AAPXSROLBFBIKP-VXGBXAGGSA-N 1 0 321.385 -1.198 20 30 DAEDRO C#CCO[C@H](C)C(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001265976309 780616291 /nfs/dbraw/zinc/61/62/91/780616291.db2.gz JFAGISLYEHQLQQ-GHMZBOCLSA-N 1 0 310.354 -1.342 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC001265966719 780616431 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Cc1nnc(CC(=O)N(C)C2CC([NH2+]CC(=O)NCC#N)C2)[nH]1 ZINC001279230145 780621353 /nfs/dbraw/zinc/62/13/53/780621353.db2.gz UTSUFRWVZYONME-UHFFFAOYSA-N 1 0 319.369 -1.126 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1C ZINC001279193556 780621658 /nfs/dbraw/zinc/62/16/58/780621658.db2.gz MICWACYXKGPTKS-QWHCGFSZSA-N 1 0 318.381 -1.288 20 30 DAEDRO C#CC[NH2+]CCC(=O)NC[C@H]1CCCCN1C(=O)CC(N)=O ZINC001279337721 780621679 /nfs/dbraw/zinc/62/16/79/780621679.db2.gz UYVMTOXPZKNBFK-GFCCVEGCSA-N 1 0 308.382 -1.028 20 30 DAEDRO COCC#CC[N@H+]1C[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C1 ZINC001279339735 780621698 /nfs/dbraw/zinc/62/16/98/780621698.db2.gz KQDFFFDOIDUOGA-BETUJISGSA-N 1 0 304.354 -1.287 20 30 DAEDRO C#CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCN(C)C2=O)C1 ZINC001279273462 780621789 /nfs/dbraw/zinc/62/17/89/780621789.db2.gz GSGHBEWMARFZKB-BPCQOVAHSA-N 1 0 320.393 -1.207 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cn2cncn2)C[C@H]1C ZINC001279193554 780622001 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C#CC[NH2+]CCN(CCO)C(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001279783126 780627484 /nfs/dbraw/zinc/62/74/84/780627484.db2.gz RDUSNSGSYNEEOR-UHFFFAOYSA-N 1 0 318.341 -1.649 20 30 DAEDRO C#CC[NH2+]CCN(CCO)C(=O)CN1CCCCS1(=O)=O ZINC001279764703 780627639 /nfs/dbraw/zinc/62/76/39/780627639.db2.gz YFBYHKPDLUITTR-UHFFFAOYSA-N 1 0 317.411 -1.544 20 30 DAEDRO C=CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001280174155 780631097 /nfs/dbraw/zinc/63/10/97/780631097.db2.gz VJBHJKOTAISTSY-NEPJUHHUSA-N 1 0 323.397 -1.202 20 30 DAEDRO C=CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001280053384 780631810 /nfs/dbraw/zinc/63/18/10/780631810.db2.gz PEXPVHXPBIVQDV-GFCCVEGCSA-N 1 0 321.385 -1.197 20 30 DAEDRO C=CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)Cn1cnnn1 ZINC001280429607 780634772 /nfs/dbraw/zinc/63/47/72/780634772.db2.gz MZFOGDXDJYGJGP-GFCCVEGCSA-N 1 0 321.385 -1.054 20 30 DAEDRO COCC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCNC2=O)CCO1 ZINC001280620126 780640517 /nfs/dbraw/zinc/64/05/17/780640517.db2.gz 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C#CCN1CCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]CC(N)=O)C1 ZINC001281137350 780668237 /nfs/dbraw/zinc/66/82/37/780668237.db2.gz KTHNKXIUFKOEDN-XJKSGUPXSA-N 1 0 322.409 -1.488 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCCC(N)=O)C[C@@H]1C ZINC001281476065 780684369 /nfs/dbraw/zinc/68/43/69/780684369.db2.gz OYUVXAFEGJXIBI-NWDGAFQWSA-N 1 0 308.382 -1.172 20 30 DAEDRO C=CC[NH2+]CC1(O)CCN(C(=O)CN2CCN(C)C(=O)C2)CC1 ZINC001281618266 780686422 /nfs/dbraw/zinc/68/64/22/780686422.db2.gz KECJPUAOIDPJTR-UHFFFAOYSA-N 1 0 324.425 -1.111 20 30 DAEDRO C[C@@H](CCNC(=O)[C@@H]1CCNC(=O)C1)[NH2+]CC(=O)NCC#N ZINC001281702485 780690347 /nfs/dbraw/zinc/69/03/47/780690347.db2.gz FIKYTMNXJIDZTH-WDEREUQCSA-N 1 0 309.370 -1.363 20 30 DAEDRO C[C@@H](CCNC(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]CC(=O)NCC#N ZINC001281741663 780691081 /nfs/dbraw/zinc/69/10/81/780691081.db2.gz UNOCOZAYLZDVMZ-UWVGGRQHSA-N 1 0 310.358 -1.866 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001281770016 780691293 /nfs/dbraw/zinc/69/12/93/780691293.db2.gz FANIVHIBGSVQHA-JTQLQIEISA-N 1 0 319.365 -1.039 20 30 DAEDRO C=CCN1CC[C@@H]([NH2+][C@@H](C)CCNC(=O)Cn2ncnn2)C1=O ZINC001281714412 780691442 /nfs/dbraw/zinc/69/14/42/780691442.db2.gz XSVKMOONGXYCGS-NWDGAFQWSA-N 1 0 321.385 -1.056 20 30 DAEDRO C#CCNC(=O)CN1CCC(CO)(NC(=O)CC[NH+](C)C)CC1 ZINC001281817748 780692102 /nfs/dbraw/zinc/69/21/02/780692102.db2.gz UTGDLLYELIIOEO-UHFFFAOYSA-N 1 0 324.425 -1.369 20 30 DAEDRO C#CC[NH2+]C[C@@H]1CCCCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001281897643 780696438 /nfs/dbraw/zinc/69/64/38/780696438.db2.gz RVDMFMURNUFNJU-NSHDSACASA-N 1 0 304.354 -1.019 20 30 DAEDRO C#CCO[C@H](C)C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001282858959 780716907 /nfs/dbraw/zinc/71/69/07/780716907.db2.gz OLINGASAFGZRHT-KKOKHZNYSA-N 1 0 322.365 -1.486 20 30 DAEDRO COCCC(=O)N1CCO[C@H]([C@@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001282895847 780717968 /nfs/dbraw/zinc/71/79/68/780717968.db2.gz QBDPUGXQDIHKEI-NEPJUHHUSA-N 1 0 312.370 -1.132 20 30 DAEDRO C=CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CN2C(=O)CNC2=O)CCO1 ZINC001282929567 780723143 /nfs/dbraw/zinc/72/31/43/780723143.db2.gz SEVYXGFCJOWSTC-WDEREUQCSA-N 1 0 310.354 -1.070 20 30 DAEDRO C#CCN1CCC[C@H]1C(=O)NCCNC(=O)C1CN(C(C)=O)C1 ZINC001282988292 780729777 /nfs/dbraw/zinc/72/97/77/780729777.db2.gz QEUWIWBUMMULMS-AWEZNQCLSA-N 1 0 320.393 -1.205 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)CNC(=O)NC)C1 ZINC001283042614 780735973 /nfs/dbraw/zinc/73/59/73/780735973.db2.gz MHRRVZSBEUEROF-IJLUTSLNSA-N 1 0 323.397 -1.462 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001283042124 780736000 /nfs/dbraw/zinc/73/60/00/780736000.db2.gz IBQORTMUUBITPT-AVGNSLFASA-N 1 0 320.393 -1.254 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]2C(N)=O)C1 ZINC001283071029 780738405 /nfs/dbraw/zinc/73/84/05/780738405.db2.gz HVEOLJZDLWDNHB-CYDGBPFRSA-N 1 0 320.393 -1.268 20 30 DAEDRO C#CCN1CCC[C@H]1C(=O)NCCNC(=O)[C@H]1CCCNC1=O ZINC001283067602 780738887 /nfs/dbraw/zinc/73/88/87/780738887.db2.gz RBUHGZZQYHSRKH-STQMWFEESA-N 1 0 320.393 -1.157 20 30 DAEDRO CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001283110603 780743272 /nfs/dbraw/zinc/74/32/72/780743272.db2.gz IAECJJXSTWKHTF-XYPYZODXSA-N 1 0 304.354 -1.115 20 30 DAEDRO C[C@H](CCC[NH2+]CC(=O)NCC#N)NC(=O)c1cnn(C)n1 ZINC001283248758 780752131 /nfs/dbraw/zinc/75/21/31/780752131.db2.gz PANHGRAJXWTOKC-SNVBAGLBSA-N 1 0 307.358 -1.057 20 30 DAEDRO C#CC[N@H+](C)CCOCCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001283426544 780761066 /nfs/dbraw/zinc/76/10/66/780761066.db2.gz YYQNRRCBVYBCAY-NSHDSACASA-N 1 0 303.384 -1.624 20 30 DAEDRO C#CC[N@H+](C)CCOCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001283426542 780761684 /nfs/dbraw/zinc/76/16/84/780761684.db2.gz YYQNRRCBVYBCAY-LLVKDONJSA-N 1 0 303.384 -1.624 20 30 DAEDRO C#CC[NH2+]CCCOCCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001283472608 780762417 /nfs/dbraw/zinc/76/24/17/780762417.db2.gz ZEUSCQAIGIHERX-NSHDSACASA-N 1 0 303.384 -1.576 20 30 DAEDRO C#CC[NH2+]CCCOCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001283472606 780762572 /nfs/dbraw/zinc/76/25/72/780762572.db2.gz ZEUSCQAIGIHERX-LLVKDONJSA-N 1 0 303.384 -1.576 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)c1cc(=O)n(C)cn1 ZINC001283618507 780767091 /nfs/dbraw/zinc/76/70/91/780767091.db2.gz UTVLYSGCTYGWFX-NSHDSACASA-N 1 0 319.365 -1.420 20 30 DAEDRO C#CCC[NH2+][C@H](C)CN(C)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001283679486 780769978 /nfs/dbraw/zinc/76/99/78/780769978.db2.gz WHIMFGBKBLXIFR-SNVBAGLBSA-N 1 0 308.338 -1.133 20 30 DAEDRO CC[C@H](NC(C)=O)C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001283681043 780770000 /nfs/dbraw/zinc/77/00/00/780770000.db2.gz RMYQUVNXOLLNHE-JQWIXIFHSA-N 1 0 311.386 -1.023 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)Cc1nnc[nH]1 ZINC001283701226 780770552 /nfs/dbraw/zinc/77/05/52/780770552.db2.gz BRYJFJYDKJBPJW-MNOVXSKESA-N 1 0 306.370 -1.078 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cccc(C)n1 ZINC001283733438 780770636 /nfs/dbraw/zinc/77/06/36/780770636.db2.gz GWBNJPOKJHMGFZ-GFCCVEGCSA-N 1 0 304.350 -1.180 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ccncc1F ZINC001283742123 780771487 /nfs/dbraw/zinc/77/14/87/780771487.db2.gz FYLKXTUECLFMMK-SNVBAGLBSA-N 1 0 308.313 -1.350 20 30 DAEDRO N#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ccncc1F ZINC001283742772 780771611 /nfs/dbraw/zinc/77/16/11/780771611.db2.gz NGXYGWMFERZHJY-SECBINFHSA-N 1 0 309.301 -1.459 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C1CN(C(C)=O)C1 ZINC001283743266 780772059 /nfs/dbraw/zinc/77/20/59/780772059.db2.gz FRYSJKBMDXJHBS-LBPRGKRZSA-N 1 0 310.354 -2.719 20 30 DAEDRO C[C@H]([NH2+][C@@H](CO)CNC(=O)CSCC#N)C(=O)N(C)C ZINC001283734105 780772131 /nfs/dbraw/zinc/77/21/31/780772131.db2.gz MWDAHJCZEWMSNU-VHSXEESVSA-N 1 0 302.400 -1.213 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)Cc1cc[nH]n1 ZINC001283743162 780772156 /nfs/dbraw/zinc/77/21/56/780772156.db2.gz QLMBSJPPWUJFFP-CMPLNLGQSA-N 1 0 307.354 -1.843 20 30 DAEDRO C=CCN1CC[C@H]([NH2+][C@H](CO)CNC(=O)Cc2cc[nH]n2)C1=O ZINC001283743551 780772169 /nfs/dbraw/zinc/77/21/69/780772169.db2.gz RUQJQAWMAFBESW-STQMWFEESA-N 1 0 321.381 -1.194 20 30 DAEDRO C[C@H]([NH2+][C@@H](CO)CNC(=O)C#CC(C)(C)C)C(=O)NC(N)=O ZINC001283754221 780773045 /nfs/dbraw/zinc/77/30/45/780773045.db2.gz BUMOSVYQEPBGRQ-VHSXEESVSA-N 1 0 312.370 -1.314 20 30 DAEDRO C[C@@H]([NH2+][C@H](CO)CNC(=O)C#CC(C)(C)C)C(=O)NC(N)=O ZINC001283754222 780773431 /nfs/dbraw/zinc/77/34/31/780773431.db2.gz BUMOSVYQEPBGRQ-ZJUUUORDSA-N 1 0 312.370 -1.314 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cnn2c1CCC2 ZINC001283762248 780773566 /nfs/dbraw/zinc/77/35/66/780773566.db2.gz BJDSFBOOHYUNDV-NSHDSACASA-N 1 0 319.365 -1.741 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1nn(C)cc1C ZINC001283757476 780774101 /nfs/dbraw/zinc/77/41/01/780774101.db2.gz SLSUUXLTFRPSKH-NSHDSACASA-N 1 0 307.354 -1.842 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)Cc1nnc(C)[nH]1 ZINC001283758040 780774229 /nfs/dbraw/zinc/77/42/29/780774229.db2.gz ZEOQWLGAUDXQDB-KOLCDFICSA-N 1 0 322.369 -2.140 20 30 DAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001283762488 780774283 /nfs/dbraw/zinc/77/42/83/780774283.db2.gz CCPPOKQFNCOIBX-CHWSQXEVSA-N 1 0 311.382 -1.429 20 30 DAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001283771606 780774538 /nfs/dbraw/zinc/77/45/38/780774538.db2.gz RLEFNKYIYRSWSB-VXGBXAGGSA-N 1 0 302.396 -1.099 20 30 DAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)CN1CCCNC1=O ZINC001283770076 780774938 /nfs/dbraw/zinc/77/49/38/780774938.db2.gz IOURIPWSUUGORX-LBPRGKRZSA-N 1 0 312.370 -1.882 20 30 DAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001283771603 780775265 /nfs/dbraw/zinc/77/52/65/780775265.db2.gz RLEFNKYIYRSWSB-NEPJUHHUSA-N 1 0 302.396 -1.099 20 30 DAEDRO N#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C1(F)CCCC1 ZINC001283770841 780775458 /nfs/dbraw/zinc/77/54/58/780775458.db2.gz MGBJBDGQIKCRDE-JTQLQIEISA-N 1 0 300.334 -1.025 20 30 DAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)CN1CCOCC1=O ZINC001283766096 780775493 /nfs/dbraw/zinc/77/54/93/780775493.db2.gz ZMTVNJMZIQYQIB-GFCCVEGCSA-N 1 0 313.354 -2.438 20 30 DAEDRO Cc1ncn(C)c1C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N ZINC001283771964 780775522 /nfs/dbraw/zinc/77/55/22/780775522.db2.gz LUMSMIUVDVIHQD-SNVBAGLBSA-N 1 0 308.342 -1.951 20 30 DAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001283769917 780775605 /nfs/dbraw/zinc/77/56/05/780775605.db2.gz HRDXYXWPBLAUTF-GHMZBOCLSA-N 1 0 307.354 -1.364 20 30 DAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1ncc(OC)cn1 ZINC001283783098 780776634 /nfs/dbraw/zinc/77/66/34/780776634.db2.gz VLNGWLXGOCAKFC-NSHDSACASA-N 1 0 308.338 -1.185 20 30 DAEDRO C#CC[NH2+][C@H](CO)CNC(=O)Cn1nc2ccccn2c1=O ZINC001283784850 780776984 /nfs/dbraw/zinc/77/69/84/780776984.db2.gz PVZIXUUYBBHNAE-NSHDSACASA-N 1 0 303.322 -1.804 20 30 DAEDRO Cc1c(C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N)ccn1C ZINC001283803609 780777845 /nfs/dbraw/zinc/77/78/45/780777845.db2.gz 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C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCCn1cncn1 ZINC001146801610 781420729 /nfs/dbraw/zinc/42/07/29/781420729.db2.gz LGZAFXHVACEMCQ-GFCCVEGCSA-N 1 0 306.370 -1.098 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCCn1cncn1 ZINC001146801615 781421144 /nfs/dbraw/zinc/42/11/44/781421144.db2.gz LGZAFXHVACEMCQ-LBPRGKRZSA-N 1 0 306.370 -1.098 20 30 DAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2nc[nH]c2C1 ZINC001146979894 781424985 /nfs/dbraw/zinc/42/49/85/781424985.db2.gz KCWOUCXLUOSNHP-JTQLQIEISA-N 1 0 304.354 -1.140 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)CNC(C)=O)C2)C1 ZINC001146919511 781425282 /nfs/dbraw/zinc/42/52/82/781425282.db2.gz JDOWMYDIQWFXGL-GFCCVEGCSA-N 1 0 320.393 -1.205 20 30 DAEDRO CC(=O)N1CC[C@](C)(C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001146984551 781427394 /nfs/dbraw/zinc/42/73/94/781427394.db2.gz DIUFXVFXFZZKCY-AWEZNQCLSA-N 1 0 309.370 -1.410 20 30 DAEDRO COCC#CC[NH2+]CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001147050094 781431610 /nfs/dbraw/zinc/43/16/10/781431610.db2.gz 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ZINC001147459050 781443616 /nfs/dbraw/zinc/44/36/16/781443616.db2.gz NJDSNPKPBRZMPR-OAHLLOKOSA-N 1 0 308.382 -1.254 20 30 DAEDRO Cc1nc2nccc(C(=O)NCC[NH2+]CC(=O)NCC#N)n2n1 ZINC001147639181 781449503 /nfs/dbraw/zinc/44/95/03/781449503.db2.gz MOLVLYOOLHNOKL-UHFFFAOYSA-N 1 0 316.325 -1.608 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cccn2c(=O)[nH]nc12 ZINC001147650412 781452129 /nfs/dbraw/zinc/45/21/29/781452129.db2.gz MSDMHDYSIOQCAD-UHFFFAOYSA-N 1 0 316.321 -1.496 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CN1CC(=O)N(C)C1=O ZINC001147651231 781453489 /nfs/dbraw/zinc/45/34/89/781453489.db2.gz YADHFKXOLZPUKF-JTQLQIEISA-N 1 0 323.353 -2.276 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC001147699793 781455081 /nfs/dbraw/zinc/45/50/81/781455081.db2.gz RGTYZMGISQYARY-WDEREUQCSA-N 1 0 318.381 -1.247 20 30 DAEDRO CC(C)(C)S(=O)(=O)CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001147761967 781456870 /nfs/dbraw/zinc/45/68/70/781456870.db2.gz MKKWYRXUQMKRGM-UHFFFAOYSA-N 1 0 318.399 -1.455 20 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/nfs/dbraw/zinc/46/30/82/781463082.db2.gz FMENPFPLLBJAKB-UHFFFAOYSA-N 1 0 307.310 -1.245 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CCS(C)(=O)=O ZINC001161094290 781464287 /nfs/dbraw/zinc/46/42/87/781464287.db2.gz AIYCUDKNNRRVIB-UHFFFAOYSA-N 1 0 303.384 -1.734 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cccn(C)c1=O ZINC001148308709 781468090 /nfs/dbraw/zinc/46/80/90/781468090.db2.gz CCERUEZMNQKZBD-NSHDSACASA-N 1 0 304.350 -1.157 20 30 DAEDRO C#CCOc1ncccc1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001148302447 781468802 /nfs/dbraw/zinc/46/88/02/781468802.db2.gz MKYPSVFVWWQKOI-UHFFFAOYSA-N 1 0 319.321 -1.392 20 30 DAEDRO C#Cc1ccc(C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)cn1 ZINC001148389967 781470069 /nfs/dbraw/zinc/47/00/69/781470069.db2.gz XNKKZDFZKJJIHT-VIFPVBQESA-N 1 0 303.322 -1.034 20 30 DAEDRO CC(=O)N[C@H](CC(C)C)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001148485101 781473878 /nfs/dbraw/zinc/47/38/78/781473878.db2.gz MAUKZSYZYBHHPT-GFCCVEGCSA-N 1 0 311.386 -1.117 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1nc(C)ccc1=O ZINC001148560081 781474739 /nfs/dbraw/zinc/47/47/39/781474739.db2.gz XMWGIYKATAWJSU-LBPRGKRZSA-N 1 0 319.365 -1.605 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1(C(=O)NC)CCC1 ZINC001148629682 781475507 /nfs/dbraw/zinc/47/55/07/781475507.db2.gz RYUWASFONJGBKW-NSHDSACASA-N 1 0 308.382 -1.254 20 30 DAEDRO Cc1ccc(=O)n(CC(=O)NCC[NH2+]CC(=O)NCC#N)n1 ZINC001148564274 781475744 /nfs/dbraw/zinc/47/57/44/781475744.db2.gz NEBDZYFBCBADAO-UHFFFAOYSA-N 1 0 306.326 -2.103 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CNC(=O)c1ccccc1 ZINC001148715975 781476712 /nfs/dbraw/zinc/47/67/12/781476712.db2.gz IKXXDQUOTRBHFZ-UHFFFAOYSA-N 1 0 316.361 -1.128 20 30 DAEDRO C=CC[N@H+]1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099894992 781476744 /nfs/dbraw/zinc/47/67/44/781476744.db2.gz SQMGKDGCOYYMMH-NWDGAFQWSA-N 1 0 312.370 -2.024 20 30 DAEDRO C[C@@H](C#N)N(C)C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001161144819 781478364 /nfs/dbraw/zinc/47/83/64/781478364.db2.gz QRMJRCHENGJDNK-QMMMGPOBSA-N 1 0 312.330 -3.336 20 30 DAEDRO C#CC[N@H+]1C[C@@H]2CN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@]2(C)C1 ZINC001091748707 781478691 /nfs/dbraw/zinc/47/86/91/781478691.db2.gz WJCBIOVJAKECAG-ZETOZRRWSA-N 1 0 304.350 -1.002 20 30 DAEDRO C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001086882716 781482612 /nfs/dbraw/zinc/48/26/12/781482612.db2.gz HHCYTOCQNYAPJS-WDEREUQCSA-N 1 0 304.354 -1.115 20 30 DAEDRO C#CC[N@H+]1CCC[C@H](NC(=O)CNS(=O)(=O)N(C)C)CC1 ZINC001273456152 781484010 /nfs/dbraw/zinc/48/40/10/781484010.db2.gz GXYWJHODSBWQJR-LBPRGKRZSA-N 1 0 316.427 -1.014 20 30 DAEDRO C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)C1=O ZINC001094007720 781526441 /nfs/dbraw/zinc/52/64/41/781526441.db2.gz DOMWGHKPCDESLG-IJLUTSLNSA-N 1 0 308.382 -1.057 20 30 DAEDRO C#CCN1CC(N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2=O)C1 ZINC001094814279 781580581 /nfs/dbraw/zinc/58/05/81/781580581.db2.gz DIRGARBUXLNQSA-OLZOCXBDSA-N 1 0 304.394 -1.027 20 30 DAEDRO Cn1cccc(C(=O)NCCC[NH2+]CC(=O)NCC#N)c1=O ZINC001171539741 781584475 /nfs/dbraw/zinc/58/44/75/781584475.db2.gz HENMSSJHOZSEBA-UHFFFAOYSA-N 1 0 305.338 -1.265 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCN1C(C)=O ZINC001171628043 781586226 /nfs/dbraw/zinc/58/62/26/781586226.db2.gz ATLUFOMEIMTOHK-ZDUSSCGKSA-N 1 0 308.382 -1.157 20 30 DAEDRO C#CC[NH2+]CCCC[C@@H](C)NC(=O)CNS(=O)(=O)NC ZINC001171931718 781587643 /nfs/dbraw/zinc/58/76/43/781587643.db2.gz VOODQQXJNMZAHE-LLVKDONJSA-N 1 0 304.416 -1.062 20 30 DAEDRO CC[C@H](C)OCC[C@H](C)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001172323705 781588874 /nfs/dbraw/zinc/58/88/74/781588874.db2.gz DRUFKEBLHQRKFI-QEHJDLSMSA-N 1 0 307.387 -1.188 20 30 DAEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001172301940 781589151 /nfs/dbraw/zinc/58/91/51/781589151.db2.gz ZBKOXXMUPNDYQF-QDYJPZLASA-N 1 0 322.361 -1.121 20 30 DAEDRO O=C[C@H]([NH2+][C@H]1CCN2C(=O)CC[C@@H]2C1)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001172151150 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COCC#CC[NH2+]CCCNC(=O)c1nccnc1C(N)=O ZINC001175636301 781609064 /nfs/dbraw/zinc/60/90/64/781609064.db2.gz VTMOTWGHPQDQKA-UHFFFAOYSA-N 1 0 305.338 -1.065 20 30 DAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)c1nccnc1C(N)=O ZINC001175635479 781609408 /nfs/dbraw/zinc/60/94/08/781609408.db2.gz MGVCQBZDLDZAGU-UHFFFAOYSA-N 1 0 319.325 -2.075 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)Cn1ccccc1=O ZINC001175732696 781610764 /nfs/dbraw/zinc/61/07/64/781610764.db2.gz LZNRBQPAGMYCTF-UHFFFAOYSA-N 1 0 304.350 -1.306 20 30 DAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)CN1C(=O)CCC1=O ZINC001175667420 781610968 /nfs/dbraw/zinc/61/09/68/781610968.db2.gz ODMBNWWGOUJJBR-UHFFFAOYSA-N 1 0 309.326 -2.129 20 30 DAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)C1CCN(C(N)=O)CC1 ZINC001175680785 781611032 /nfs/dbraw/zinc/61/10/32/781611032.db2.gz KTPJYQORIIKSFM-UHFFFAOYSA-N 1 0 324.385 -1.487 20 30 DAEDRO COCC#CC[NH2+]CCCNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001176004032 781612784 /nfs/dbraw/zinc/61/27/84/781612784.db2.gz LVWPTRJTYBMTQP-UHFFFAOYSA-N 1 0 308.338 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PYSDJASPAZRFCU-SNVBAGLBSA-N 1 0 318.399 -2.231 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CN(CC)CCO1 ZINC001176635329 781620748 /nfs/dbraw/zinc/62/07/48/781620748.db2.gz BALDDRRCKLCMDE-UONOGXRCSA-N 1 0 324.425 -1.059 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CN(CC)CCO1 ZINC001176635361 781621007 /nfs/dbraw/zinc/62/10/07/781621007.db2.gz BWARSASOUQPIGD-ZDUSSCGKSA-N 1 0 310.398 -1.448 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCS1(=O)=O ZINC001176585558 781621278 /nfs/dbraw/zinc/62/12/78/781621278.db2.gz SIKURNSMYDRKFN-NSHDSACASA-N 1 0 315.395 -1.591 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCc2nncn2C1 ZINC001176850491 781625001 /nfs/dbraw/zinc/62/50/01/781625001.db2.gz KGSMMVBVYRJDAS-GFCCVEGCSA-N 1 0 318.381 -1.314 20 30 DAEDRO C=CCOCC[NH2+]CCCNC(=O)CNC(=O)Cn1cncn1 ZINC001176894484 781625331 /nfs/dbraw/zinc/62/53/31/781625331.db2.gz TWDMNAIUQAUADT-UHFFFAOYSA-N 1 0 324.385 -1.307 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)C(C)(C)NC(=O)NC ZINC001176897398 781625348 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C=CCN1CC[C@H]([NH2+][C@H](CC)CNC(=O)Cn2ncnn2)C1=O ZINC001318523989 916398242 /nfs/dbraw/zinc/39/82/42/916398242.db2.gz HSRAIQRUYGUPBO-NEPJUHHUSA-N 1 0 321.385 -1.056 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)CN1CCOCC1 ZINC001318515210 916398958 /nfs/dbraw/zinc/39/89/58/916398958.db2.gz NCHUAPJEPFRRPL-ZDUSSCGKSA-N 1 0 310.398 -1.448 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1CN(C)CCO1 ZINC001318512103 916401103 /nfs/dbraw/zinc/40/11/03/916401103.db2.gz NGVXPATYFMIIJC-CHWSQXEVSA-N 1 0 310.398 -1.449 20 30 DAEDRO C=CCN1CC[C@H]([NH2+][C@@H](CC)CNC(=O)Cn2ncnn2)C1=O ZINC001318523991 916401247 /nfs/dbraw/zinc/40/12/47/916401247.db2.gz HSRAIQRUYGUPBO-RYUDHWBXSA-N 1 0 321.385 -1.056 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](CC)CNC(=O)Cc1nc[nH]n1 ZINC001318597179 916402678 /nfs/dbraw/zinc/40/26/78/916402678.db2.gz YGDZQGFEZPLQRV-WDEREUQCSA-N 1 0 306.370 -1.031 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC(=O)N1C ZINC001318562278 916404588 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DAEDRO CCS(=O)(=O)CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001319593031 916446875 /nfs/dbraw/zinc/44/68/75/916446875.db2.gz LQQUPVVQCBQTTM-JTQLQIEISA-N 1 0 318.399 -1.503 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CCNC(=O)C1)C(C)C ZINC001319905868 916452316 /nfs/dbraw/zinc/45/23/16/916452316.db2.gz QHWBLWAOKITRIR-OLZOCXBDSA-N 1 0 322.409 -1.008 20 30 DAEDRO C[C@@H]1CCCN(C(=O)CC(N)=O)[C@H]1C[NH2+]CC(=O)NCC#N ZINC001319835666 916452682 /nfs/dbraw/zinc/45/26/82/916452682.db2.gz KVUKOWBWAHZHOR-MNOVXSKESA-N 1 0 309.370 -1.282 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC(N)=O ZINC001319838711 916454636 /nfs/dbraw/zinc/45/46/36/916454636.db2.gz SPMLGPAGFXXNKQ-NEPJUHHUSA-N 1 0 308.382 -1.172 20 30 DAEDRO C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C(C)C ZINC001319927954 916455853 /nfs/dbraw/zinc/45/58/53/916455853.db2.gz ICXRBVNZNHSNGM-QWRGUYRKSA-N 1 0 317.411 -1.184 20 30 DAEDRO CC#CC[NH2+][C@@H](CNC(=O)CNC(=O)CNC(C)=O)C(C)C ZINC001319922084 916456320 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/nfs/dbraw/zinc/76/63/28/916766328.db2.gz WVSGQBZFKCSTRX-LBPRGKRZSA-N 1 0 321.381 -1.267 20 30 DAEDRO C#CC[NH2+]C[C@H]1CCCN1C(=O)Cn1ccc(=O)n(C)c1=O ZINC001324169698 916767955 /nfs/dbraw/zinc/76/79/55/916767955.db2.gz ZSRVLGCDLWTVGJ-GFCCVEGCSA-N 1 0 304.350 -1.239 20 30 DAEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CCCC(N)=O ZINC001324285644 916774317 /nfs/dbraw/zinc/77/43/17/916774317.db2.gz LLKRZYLNVWZGLL-NSHDSACASA-N 1 0 309.370 -1.138 20 30 DAEDRO C#CC[N@H+]1CC[C@H](N2CCN(C(=O)CCNC(N)=O)CC2)C1 ZINC001324571105 916789047 /nfs/dbraw/zinc/78/90/47/916789047.db2.gz JNBRMIBXUZVJGC-ZDUSSCGKSA-N 1 0 307.398 -1.104 20 30 DAEDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC001324578119 916789274 /nfs/dbraw/zinc/78/92/74/916789274.db2.gz QEVCPRWTQOEQAS-NWDGAFQWSA-N 1 0 309.370 -1.901 20 30 DAEDRO C#CCNC(=O)CN1CC[C@](C)(NC(=O)CNC(=O)NC)C1 ZINC001324619627 916790619 /nfs/dbraw/zinc/79/06/19/916790619.db2.gz MVWYKJHILYOCQC-AWEZNQCLSA-N 1 0 309.370 -1.755 20 30 DAEDRO C#CCC[N@H+]1CC[C@](C)(NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001324614254 916791005 /nfs/dbraw/zinc/79/10/05/916791005.db2.gz GNMRQFVOSJGQRB-AWEZNQCLSA-N 1 0 304.354 -1.019 20 30 DAEDRO C#CCNC(=O)[C@@H](C)N1CC[C@@](C)(NC(=O)CNC(=O)NC)C1 ZINC001324619233 916791178 /nfs/dbraw/zinc/79/11/78/916791178.db2.gz JAMLVKYKKCMYID-IAQYHMDHSA-N 1 0 323.397 -1.366 20 30 DAEDRO C[C@]1(NC(=O)Cn2ncnn2)CCN(CC(=O)NCC#N)C1 ZINC001324616175 916791573 /nfs/dbraw/zinc/79/15/73/916791573.db2.gz UADAUNMNXKWKBZ-LBPRGKRZSA-N 1 0 306.330 -2.107 20 30 DAEDRO C#CC[NH2+]C[C@@]1(C)CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001324796856 916796789 /nfs/dbraw/zinc/79/67/89/916796789.db2.gz CMDRUBURHCHJDA-OAHLLOKOSA-N 1 0 320.349 -1.132 20 30 DAEDRO C#CCOCCNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC001324878672 916800027 /nfs/dbraw/zinc/80/00/27/916800027.db2.gz PLITYFNOCAYYNE-UHFFFAOYSA-N 1 0 324.425 -1.152 20 30 DAEDRO CC#CC[NH2+]C1(CNC(=O)Cn2ncn(C)c2=O)CCOCC1 ZINC001325005979 916803279 /nfs/dbraw/zinc/80/32/79/916803279.db2.gz WAXRSGPMELNBPM-UHFFFAOYSA-N 1 0 321.381 -1.140 20 30 DAEDRO N#CCNC(=O)C[NH2+]C1(CNC(=O)c2ncc[nH]2)CCOCC1 ZINC001324994460 916804343 /nfs/dbraw/zinc/80/43/43/916804343.db2.gz SVFQVDRMPFMOPA-UHFFFAOYSA-N 1 0 320.353 -1.082 20 30 DAEDRO N#CCSCC(=O)NCC1([NH2+]CC(N)=O)CCOCC1 ZINC001324991817 916805525 /nfs/dbraw/zinc/80/55/25/916805525.db2.gz IIEIVQYNWKJTBB-UHFFFAOYSA-N 1 0 300.384 -1.017 20 30 DAEDRO CC#CC[N@H+]1CC[C@@](O)(CNC(=O)CCS(=O)(=O)NC)C1 ZINC001325097991 916810729 /nfs/dbraw/zinc/81/07/29/916810729.db2.gz PIJSRUAKLUIQJW-CYBMUJFWSA-N 1 0 317.411 -1.498 20 30 DAEDRO N#CCNC(=O)CN1CC[C@@](O)(CNC(=O)c2cc[nH]c2)C1 ZINC001325099645 916813236 /nfs/dbraw/zinc/81/32/36/916813236.db2.gz YXODPEMUTPRVIJ-CQSZACIVSA-N 1 0 305.338 -1.179 20 30 DAEDRO C=CC[N@H+]1CC[C@](O)(CNC(=O)CNS(=O)(=O)NC)C1 ZINC001325114431 916817484 /nfs/dbraw/zinc/81/74/84/916817484.db2.gz LXMGHVSKRVUPQE-NSHDSACASA-N 1 0 306.388 -2.221 20 30 DAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)CCCN2C(=O)CNC2=O)C1 ZINC001325160689 916825708 /nfs/dbraw/zinc/82/57/08/916825708.db2.gz KEHFOZNWSYFECN-OAHLLOKOSA-N 1 0 322.365 -1.495 20 30 DAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)c2cccc(C(N)=O)n2)C1 ZINC001325161797 916826264 /nfs/dbraw/zinc/82/62/64/916826264.db2.gz PVBGPBDANLTTNA-OAHLLOKOSA-N 1 0 302.334 -1.020 20 30 DAEDRO C[C@@H]([NH2+]CC(=O)NCC#N)[C@@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001325398035 916845746 /nfs/dbraw/zinc/84/57/46/916845746.db2.gz VQJWWPDAFHROOR-GHMZBOCLSA-N 1 0 319.369 -1.105 20 30 DAEDRO C#CCNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]2C1 ZINC001325721791 916860668 /nfs/dbraw/zinc/86/06/68/916860668.db2.gz RMEHHRMFBUBGGT-FRRDWIJNSA-N 1 0 318.377 -1.595 20 30 DAEDRO N#CCNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]2C1 ZINC001325760100 916862353 /nfs/dbraw/zinc/86/23/53/916862353.db2.gz CXOCZMCQUOFFIW-OUAUKWLOSA-N 1 0 320.353 -2.302 20 30 DAEDRO C#CCC[N@H+]1CCC[C@](CO)(NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001325835523 916867533 /nfs/dbraw/zinc/86/75/33/916867533.db2.gz NIZDWWJLULOMEF-NHYWBVRUSA-N 1 0 322.365 -1.449 20 30 DAEDRO C#CCN1CCC[C@@](CO)(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001325866146 916870184 /nfs/dbraw/zinc/87/01/84/916870184.db2.gz UIOGRECMXMBEOU-CQSZACIVSA-N 1 0 320.353 -2.047 20 30 DAEDRO Cn1cccc1C(=O)N(CCO)CC[NH2+]CC(=O)NCC#N ZINC001325980824 916877912 /nfs/dbraw/zinc/87/79/12/916877912.db2.gz PWVDUGQHZSYNSF-UHFFFAOYSA-N 1 0 307.354 -1.311 20 30 DAEDRO COCC#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCNC(=O)C1 ZINC001326001001 916879584 /nfs/dbraw/zinc/87/95/84/916879584.db2.gz DHBNSJGVPWMBQH-CYBMUJFWSA-N 1 0 311.382 -1.427 20 30 DAEDRO N#CCCC[C@H]([NH3+])C(=O)NCC(=O)NCCN1CCOCC1 ZINC001326031224 916883966 /nfs/dbraw/zinc/88/39/66/916883966.db2.gz QIQGGOVDFHGBBE-LBPRGKRZSA-N 1 0 311.386 -1.428 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCN(CCO)C(=O)c1cccnn1 ZINC001326119366 916897515 /nfs/dbraw/zinc/89/75/15/916897515.db2.gz NISRIDRELUTPRB-UHFFFAOYSA-N 1 0 305.338 -1.750 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCN(CCO)C(=O)c1ncccn1 ZINC001326120124 916899908 /nfs/dbraw/zinc/89/99/08/916899908.db2.gz WEQGABNQRLWISZ-UHFFFAOYSA-N 1 0 305.338 -1.750 20 30 DAEDRO COCC#CC[NH2+]CCN(CCO)C(=O)C(=O)NCC1CC1 ZINC001326118844 916900076 /nfs/dbraw/zinc/90/00/76/916900076.db2.gz FNDQQFJBEJGHSV-UHFFFAOYSA-N 1 0 311.382 -1.427 20 30 DAEDRO N#CCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001326349825 916913820 /nfs/dbraw/zinc/91/38/20/916913820.db2.gz PCWHFOBUCFYSGG-WDEREUQCSA-N 1 0 322.369 -1.864 20 30 DAEDRO N#CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001326349822 916914671 /nfs/dbraw/zinc/91/46/71/916914671.db2.gz PCWHFOBUCFYSGG-GHMZBOCLSA-N 1 0 322.369 -1.864 20 30 DAEDRO Cn1nnc(C(=O)N2CC[C@@H](CC[NH2+]CC(=O)NCC#N)C2)n1 ZINC001326337700 916915135 /nfs/dbraw/zinc/91/51/35/916915135.db2.gz KSQAUHDIWLOAQG-SNVBAGLBSA-N 1 0 320.357 -1.708 20 30 DAEDRO C#CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001326424530 916921481 /nfs/dbraw/zinc/92/14/81/916921481.db2.gz PEJXOJYWHROVPG-GFCCVEGCSA-N 1 0 323.397 -1.378 20 30 DAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC001326607979 916936982 /nfs/dbraw/zinc/93/69/82/916936982.db2.gz MBDRKCRNRXTFAF-JHJVBQTASA-N 1 0 309.366 -1.331 20 30 DAEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2COCCO2)CCC1 ZINC001326786901 916954743 /nfs/dbraw/zinc/95/47/43/916954743.db2.gz WJPUMKAVMQKGGI-GFCCVEGCSA-N 1 0 309.366 -1.220 20 30 DAEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC001326805085 916958507 /nfs/dbraw/zinc/95/85/07/916958507.db2.gz CKQQAGMLWAVBMU-NSHDSACASA-N 1 0 317.415 -1.560 20 30 DAEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CCC1 ZINC001326889782 916967411 /nfs/dbraw/zinc/96/74/11/916967411.db2.gz OTAJUBUTQYKYOS-MNOVXSKESA-N 1 0 306.366 -1.514 20 30 DAEDRO CCO[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)C[C@H]1C[NH3+] ZINC001326886760 916967513 /nfs/dbraw/zinc/96/75/13/916967513.db2.gz ZCOPGUVPBBYTIS-GRYCIOLGSA-N 1 0 310.354 -1.440 20 30 DAEDRO C[C@]1(C(=O)NCC2([NH2+]CC(=O)NCC#N)CCC2)CCNC1=O ZINC001326889015 916968133 /nfs/dbraw/zinc/96/81/33/916968133.db2.gz DNHAEUWYBIBCQB-AWEZNQCLSA-N 1 0 321.381 -1.219 20 30 DAEDRO COCC#CC[NH2+]C[C@@H]1CN(C(=O)CNC(=O)C2CC2)CCO1 ZINC001326951813 916970824 /nfs/dbraw/zinc/97/08/24/916970824.db2.gz VWDITDOPQPWAEN-CQSZACIVSA-N 1 0 323.393 -1.021 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C2=COCCO2)CCO1 ZINC001326943479 916972728 /nfs/dbraw/zinc/97/27/28/916972728.db2.gz OOCCCSQQGGAJBH-LBPRGKRZSA-N 1 0 323.349 -1.559 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CN(C(=O)c2cc[nH]n2)CCO1 ZINC001326950168 916972832 /nfs/dbraw/zinc/97/28/32/916972832.db2.gz LWUDHTYGRSNDGT-RYUDHWBXSA-N 1 0 319.365 -1.022 20 30 DAEDRO Cn1cc(C(=O)N2CCO[C@@H](C[NH2+]CC(=O)NCC#N)C2)nn1 ZINC001326973238 916974745 /nfs/dbraw/zinc/97/47/45/916974745.db2.gz DWNFDGSWBHLCCT-JTQLQIEISA-N 1 0 321.341 -2.115 20 30 DAEDRO CCOCCC(=O)N1CCO[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001326958514 916975282 /nfs/dbraw/zinc/97/52/82/916975282.db2.gz QCIQZVDBPYBGGP-LBPRGKRZSA-N 1 0 312.370 -1.130 20 30 DAEDRO Cn1cncc1C(=O)N1CCO[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001327005095 916977023 /nfs/dbraw/zinc/97/70/23/916977023.db2.gz QIPMEHQXQQLLJC-NSHDSACASA-N 1 0 320.353 -1.510 20 30 DAEDRO COCC1(C(=O)N2CCO[C@H](C[NH2+]CC(=O)NCC#N)C2)CC1 ZINC001327002104 916977680 /nfs/dbraw/zinc/97/76/80/916977680.db2.gz FIJKJNGIWVWEEP-GFCCVEGCSA-N 1 0 324.381 -1.130 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 ZINC001327021074 916980268 /nfs/dbraw/zinc/98/02/68/916980268.db2.gz TVEPMCNBIOUYPP-GHMZBOCLSA-N 1 0 323.353 -2.766 20 30 DAEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC001327017580 916980354 /nfs/dbraw/zinc/98/03/54/916980354.db2.gz JECSBYNEWNYRCB-SNVBAGLBSA-N 1 0 323.357 -2.057 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 ZINC001327021076 916981097 /nfs/dbraw/zinc/98/10/97/916981097.db2.gz TVEPMCNBIOUYPP-QWRGUYRKSA-N 1 0 323.353 -2.766 20 30 DAEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001327020688 916981294 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C=CCNC(=O)NC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1C[C@@H]1C ZINC001331773026 917333719 /nfs/dbraw/zinc/33/37/19/917333719.db2.gz SBTCWIZQUVEHRW-DCAQKATOSA-N 1 0 312.370 -1.279 20 30 DAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC(=O)N1C ZINC001331772679 917333738 /nfs/dbraw/zinc/33/37/38/917333738.db2.gz QCCYIMUQEYROGP-QWRGUYRKSA-N 1 0 312.370 -2.024 20 30 DAEDRO CC#CCCCC(=O)NC[C@H](CO)NCc1nc(=O)n(C)[nH]1 ZINC001331772606 917334392 /nfs/dbraw/zinc/33/43/92/917334392.db2.gz POMQUUREAMSGIT-LLVKDONJSA-N 1 0 309.370 -1.131 20 30 DAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001331787617 917336905 /nfs/dbraw/zinc/33/69/05/917336905.db2.gz KLXSVZOSBAAZLP-FRRDWIJNSA-N 1 0 311.382 -1.396 20 30 DAEDRO Cc1ncccc1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N ZINC001331774703 917338244 /nfs/dbraw/zinc/33/82/44/917338244.db2.gz OABIQOAPLIGRMP-NSHDSACASA-N 1 0 305.338 -1.290 20 30 DAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)c1n[nH]cc1F ZINC001331788342 917338911 /nfs/dbraw/zinc/33/89/11/917338911.db2.gz SXEANZDDAPPVLT-DTWKUNHWSA-N 1 0 313.333 -1.080 20 30 DAEDRO Cc1ncccc1CC(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N ZINC001331788031 917338944 /nfs/dbraw/zinc/33/89/44/917338944.db2.gz OHMOECLPUDLUHJ-CYBMUJFWSA-N 1 0 319.365 -1.361 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cccc(OC)n1 ZINC001331806442 917341088 /nfs/dbraw/zinc/34/10/88/917341088.db2.gz VMAIKVDSBXILNF-LLVKDONJSA-N 1 0 320.349 -1.480 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)Cc1ccc[nH]1 ZINC001331833267 917341945 /nfs/dbraw/zinc/34/19/45/917341945.db2.gz ATRNQEGBCNDAJD-DGCLKSJQSA-N 1 0 306.366 -1.238 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)Cc1csc(C)n1 ZINC001331818972 917342279 /nfs/dbraw/zinc/34/22/79/917342279.db2.gz KBYNRMBECXIYAL-LBPRGKRZSA-N 1 0 324.406 -1.190 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)c1ccn(C)n1 ZINC001331835342 917343502 /nfs/dbraw/zinc/34/35/02/917343502.db2.gz LSBOEYZVXPFJGU-GHMZBOCLSA-N 1 0 307.354 -1.762 20 30 DAEDRO N#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC12CCOCC2 ZINC001331843158 917345669 /nfs/dbraw/zinc/34/56/69/917345669.db2.gz TZDALNDIDORHLE-NWDGAFQWSA-N 1 0 324.381 -1.490 20 30 DAEDRO C=C(C)[C@@H](CO)n1cc(CNC(=O)CN2CC[NH2+]CC2)nn1 ZINC001331884158 917347841 /nfs/dbraw/zinc/34/78/41/917347841.db2.gz HYSIAEFUIYZRSL-CYBMUJFWSA-N 1 0 308.386 -1.091 20 30 DAEDRO C[C@@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CN1C(=O)c1cnn(C)n1 ZINC001332031626 917350926 /nfs/dbraw/zinc/35/09/26/917350926.db2.gz LIMTULFPUKEILN-NXEZZACHSA-N 1 0 305.342 -1.353 20 30 DAEDRO COCC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2C(=O)CNC2=O)C1 ZINC001332044634 917353070 /nfs/dbraw/zinc/35/30/70/917353070.db2.gz BIRMILWWUXJYFX-NEPJUHHUSA-N 1 0 322.365 -1.233 20 30 DAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]21 ZINC001332150666 917357395 /nfs/dbraw/zinc/35/73/95/917357395.db2.gz XJXQGBGNYXFARA-GRYCIOLGSA-N 1 0 308.382 -1.009 20 30 DAEDRO COCC[NH2+]CCNC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC001332307659 917363006 /nfs/dbraw/zinc/36/30/06/917363006.db2.gz YBYBQRDRWFCJMW-CYBMUJFWSA-N 1 0 323.397 -1.463 20 30 DAEDRO C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CC1(C)C ZINC001332412496 917369204 /nfs/dbraw/zinc/36/92/04/917369204.db2.gz FTYQEELZYZBKAY-MNOVXSKESA-N 1 0 323.397 -1.203 20 30 DAEDRO Cn1nnc(C(=O)N2C[C@H]([NH2+]CC(=O)NCC#N)C(C)(C)C2)n1 ZINC001332405749 917369511 /nfs/dbraw/zinc/36/95/11/917369511.db2.gz XKYXTOBKIOWYOM-VIFPVBQESA-N 1 0 320.357 -1.710 20 30 DAEDRO CC1(C)CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1[NH2+]CC(=O)NCC#N ZINC001332412649 917370297 /nfs/dbraw/zinc/37/02/97/917370297.db2.gz GUILOBVWFFRLAZ-JTQLQIEISA-N 1 0 321.381 -1.282 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1 ZINC001332487471 917373883 /nfs/dbraw/zinc/37/38/83/917373883.db2.gz GQMGCCDCOLJUOO-LBPRGKRZSA-N 1 0 317.349 -1.342 20 30 DAEDRO C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NCC#N)n1cccn1 ZINC001332487374 917374253 /nfs/dbraw/zinc/37/42/53/917374253.db2.gz BBGXLGGRKMYOCT-VXGBXAGGSA-N 1 0 322.369 -1.507 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C1=COCCC1 ZINC001332487091 917374444 /nfs/dbraw/zinc/37/44/44/917374444.db2.gz ABGLWRCVAILXOM-ZDUSSCGKSA-N 1 0 309.366 -1.161 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1cc(C)n[nH]1 ZINC001332488366 917378490 /nfs/dbraw/zinc/37/84/90/917378490.db2.gz DQRFQTWYGUUGHX-NSHDSACASA-N 1 0 307.354 -1.510 20 30 DAEDRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C(=O)c1ncccc1[O-] ZINC001332504030 917378693 /nfs/dbraw/zinc/37/86/93/917378693.db2.gz JFWYBGQSVOXQJF-JTQLQIEISA-N 1 0 321.337 -1.551 20 30 DAEDRO CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C(=O)C[C@H]1CCCO1 ZINC001332487550 917378983 /nfs/dbraw/zinc/37/89/83/917378983.db2.gz BIBUWEDGDGFNCR-VXGBXAGGSA-N 1 0 312.370 -1.396 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1cnns1 ZINC001332489679 917379891 /nfs/dbraw/zinc/37/98/91/917379891.db2.gz JXQPGYJJDOOLLZ-VIFPVBQESA-N 1 0 311.367 -1.690 20 30 DAEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001332547137 917380925 /nfs/dbraw/zinc/38/09/25/917380925.db2.gz MLFBIPFNEBITMP-UWVGGRQHSA-N 1 0 319.383 -2.506 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1nc(C)c[nH]1 ZINC001332577724 917387712 /nfs/dbraw/zinc/38/77/12/917387712.db2.gz ICKDUEPCDSAZSL-NSHDSACASA-N 1 0 307.354 -1.510 20 30 DAEDRO COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001332579286 917388513 /nfs/dbraw/zinc/38/85/13/917388513.db2.gz SWXJVDHVAGCYDA-CHWSQXEVSA-N 1 0 311.382 -1.286 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1nc(C)c[nH]1 ZINC001332577723 917388963 /nfs/dbraw/zinc/38/89/63/917388963.db2.gz ICKDUEPCDSAZSL-LLVKDONJSA-N 1 0 307.354 -1.510 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1cncn1C ZINC001332591434 917389835 /nfs/dbraw/zinc/38/98/35/917389835.db2.gz IANXMPRQSVCRPN-CYBMUJFWSA-N 1 0 321.381 -1.879 20 30 DAEDRO C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)CS(=O)(=O)N(C)C ZINC001332602091 917390020 /nfs/dbraw/zinc/39/00/20/917390020.db2.gz NKEYMXKZGGNZJQ-NSHDSACASA-N 1 0 307.416 -1.137 20 30 DAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)CCC(=O)N1CCOCC1 ZINC001332603214 917391111 /nfs/dbraw/zinc/39/11/11/917391111.db2.gz WLHIJEHDUIGPNH-ZDUSSCGKSA-N 1 0 311.382 -1.333 20 30 DAEDRO C=CCN1CC[C@H]([NH2+]C[C@H](O)CN(C)C(=O)c2cnon2)C1=O ZINC001332586937 917391486 /nfs/dbraw/zinc/39/14/86/917391486.db2.gz JMEMJVMYGASMTL-QWRGUYRKSA-N 1 0 323.353 -1.121 20 30 DAEDRO C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001332606533 917393341 /nfs/dbraw/zinc/39/33/41/917393341.db2.gz OJLHUOZFFNCUDB-JTQLQIEISA-N 1 0 310.358 -1.638 20 30 DAEDRO C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CN(C)S(C)(=O)=O ZINC001332631425 917394510 /nfs/dbraw/zinc/39/45/10/917394510.db2.gz HWQRQJFFEZJARN-NSHDSACASA-N 1 0 307.416 -1.185 20 30 DAEDRO C=CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ncn(C)c1=O ZINC001332647789 917397915 /nfs/dbraw/zinc/39/79/15/917397915.db2.gz OGBUZLYNKBKZLZ-GFCCVEGCSA-N 1 0 311.386 -1.091 20 30 DAEDRO C=CCN1CC[C@@H]([N@@H+](C)C[C@H](O)CN(C)C(=O)C(N)=O)C1=O ZINC001332662553 917402933 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PUFVPACANSOMMQ-SNVBAGLBSA-N 1 0 307.310 -1.255 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[C@@H](C)CC(=O)N1 ZINC001127575807 775814326 /nfs/dbraw/zinc/81/43/26/775814326.db2.gz CAGMFCZYXJKNSR-IJLUTSLNSA-N 1 0 308.382 -1.255 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001127652821 775820173 /nfs/dbraw/zinc/82/01/73/775820173.db2.gz DISSIHOEJJAZFQ-UHFFFAOYSA-N 1 0 307.314 -3.168 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001127691044 775823925 /nfs/dbraw/zinc/82/39/25/775823925.db2.gz ZAABJUWCMDXJSO-VIFPVBQESA-N 1 0 321.341 -2.779 20 30 DAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccnn1C ZINC001124544451 775826106 /nfs/dbraw/zinc/82/61/06/775826106.db2.gz HGSZWAFGJUPUBJ-UHFFFAOYSA-N 1 0 308.342 -1.249 20 30 DAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1cnn(C)c1 ZINC001124612805 775827832 /nfs/dbraw/zinc/82/78/32/775827832.db2.gz HEBCAEXCRDGSAH-UHFFFAOYSA-N 1 0 322.369 -1.320 20 30 DAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)COC ZINC001124748568 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DAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC001265982449 780615922 /nfs/dbraw/zinc/61/59/22/780615922.db2.gz HLRPXQVATLOYTO-OLZOCXBDSA-N 1 0 320.393 -1.300 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC001265966717 780616068 /nfs/dbraw/zinc/61/60/68/780616068.db2.gz HDVIASKAFDLOCF-OLZOCXBDSA-N 1 0 320.393 -1.300 20 30 DAEDRO C#CCO[C@@H](C)C(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001265976328 780616159 /nfs/dbraw/zinc/61/61/59/780616159.db2.gz JFAGISLYEHQLQQ-QWRGUYRKSA-N 1 0 310.354 -1.342 20 30 DAEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001265951849 780616190 /nfs/dbraw/zinc/61/61/90/780616190.db2.gz SURAPKZESFFIPW-NEPJUHHUSA-N 1 0 307.350 -1.121 20 30 DAEDRO N#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CCc2nnc[nH]2)C1 ZINC001265967286 780616217 /nfs/dbraw/zinc/61/62/17/780616217.db2.gz QBGDBHXNYDIIRO-LLVKDONJSA-N 1 0 319.369 -1.185 20 30 DAEDRO C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001266002271 780616961 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CN(C(=O)[C@@H]1CCC(=O)N1)C1CC([NH2+]CC(=O)NCC#N)C1 ZINC001279315184 780620886 /nfs/dbraw/zinc/62/08/86/780620886.db2.gz DWDRPZXBQSFZGL-ILDUYXDCSA-N 1 0 307.354 -1.516 20 30 DAEDRO C=CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@H]2C1 ZINC001279388786 780621157 /nfs/dbraw/zinc/62/11/57/780621157.db2.gz SFYNIHIKWUAWEJ-TXEJJXNPSA-N 1 0 320.393 -1.056 20 30 DAEDRO C#CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001279273464 780621637 /nfs/dbraw/zinc/62/16/37/780621637.db2.gz GSGHBEWMARFZKB-WXRRBKDZSA-N 1 0 320.393 -1.207 20 30 DAEDRO CC#CC[NH2+]C1CC(N(C)C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001279328045 780621910 /nfs/dbraw/zinc/62/19/10/780621910.db2.gz CQAGUPZFHZQWLJ-UHFFFAOYSA-N 1 0 304.354 -1.021 20 30 DAEDRO C=CCNC(=O)C[N@H+]1C[C@H]2CN(C(=O)Cn3cncn3)C[C@H]2C1 ZINC001279409510 780621917 /nfs/dbraw/zinc/62/19/17/780621917.db2.gz CEFBKBXYARJSTH-BETUJISGSA-N 1 0 318.381 -1.030 20 30 DAEDRO C=CCC[N@H+]1CCC[C@](CO)(NC(=O)CN2CCNC(=O)C2)C1 ZINC001279500018 780623102 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C#CCNC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1C[C@@H](C)CO1 ZINC001279773300 780627758 /nfs/dbraw/zinc/62/77/58/780627758.db2.gz JVPKJPQUSUZZTP-CHWSQXEVSA-N 1 0 311.382 -1.429 20 30 DAEDRO C#CC[NH2+]CCN(CCO)C(=O)c1cn2nc(C)cc2[nH]c1=O ZINC001279858305 780628264 /nfs/dbraw/zinc/62/82/64/780628264.db2.gz PKJSJCLGKQUEIY-UHFFFAOYSA-N 1 0 317.349 -1.012 20 30 DAEDRO CC#CC[NH2+]CCN(CCO)C(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001279878955 780628326 /nfs/dbraw/zinc/62/83/26/780628326.db2.gz OMZCTOQLSZIODG-UHFFFAOYSA-N 1 0 324.337 -1.056 20 30 DAEDRO C=CC[NH2+]CCN(CCO)C(=O)CN1CCS(=O)(=O)CC1 ZINC001279901428 780630427 /nfs/dbraw/zinc/63/04/27/780630427.db2.gz HOYFRUUVAZALQW-UHFFFAOYSA-N 1 0 319.427 -1.687 20 30 DAEDRO C#CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001280198987 780631247 /nfs/dbraw/zinc/63/12/47/780631247.db2.gz ZEQZFGLFHWIXHT-UPJWGTAASA-N 1 0 320.393 -1.315 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C)NC(N)=O ZINC001280438512 780634905 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C#CC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)CCO1 ZINC001280647911 780640243 /nfs/dbraw/zinc/64/02/43/780640243.db2.gz IGVWVBYQSIZBKI-LBPRGKRZSA-N 1 0 320.349 -1.623 20 30 DAEDRO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cn2cncn2)CC1 ZINC001280770098 780645158 /nfs/dbraw/zinc/64/51/58/780645158.db2.gz NDMWMPZXTITFNH-ZDUSSCGKSA-N 1 0 318.381 -1.002 20 30 DAEDRO C#CCO[C@H](C)C(=O)NC[C@@H](CO)NC(=O)C[NH+]1CCCC1 ZINC001281081161 780657648 /nfs/dbraw/zinc/65/76/48/780657648.db2.gz BVLMUBVXNUFZFJ-OLZOCXBDSA-N 1 0 311.382 -1.286 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)c2cn[nH]c2)C1 ZINC001281105604 780661954 /nfs/dbraw/zinc/66/19/54/780661954.db2.gz TYEHWUIRUFQNNA-HNNXBMFYSA-N 1 0 319.365 -1.284 20 30 DAEDRO N#CCSCC(=O)N1CCC[C@@](CO)([NH2+]CC(N)=O)C1 ZINC001281105892 780662743 /nfs/dbraw/zinc/66/27/43/780662743.db2.gz UWBNGLTWCNHNFP-GFCCVEGCSA-N 1 0 300.384 -1.328 20 30 DAEDRO N#CCNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)c2ncc[nH]2)C1 ZINC001281122227 780666771 /nfs/dbraw/zinc/66/67/71/780666771.db2.gz YUWYMJCNRCCJLQ-CQSZACIVSA-N 1 0 320.353 -1.394 20 30 DAEDRO N#CCNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)c2ncc[nH]2)C1 ZINC001281122226 780666957 /nfs/dbraw/zinc/66/69/57/780666957.db2.gz YUWYMJCNRCCJLQ-AWEZNQCLSA-N 1 0 320.353 -1.394 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]CC1(NC(=O)C(N)=O)CCOCC1 ZINC001281263679 780675701 /nfs/dbraw/zinc/67/57/01/780675701.db2.gz CETYZBLNDOQPIA-JTQLQIEISA-N 1 0 310.354 -2.135 20 30 DAEDRO Cc1c(C(=O)N2C[C@H](C)[C@H]([NH2+]CC(=O)NCC#N)C2)nnn1C ZINC001281389963 780680690 /nfs/dbraw/zinc/68/06/90/780680690.db2.gz ZGJXYMLTRYMOCD-GXSJLCMTSA-N 1 0 319.369 -1.187 20 30 DAEDRO C[C@H]1CN(C(=O)c2nccnc2N)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001281386902 780680948 /nfs/dbraw/zinc/68/09/48/780680948.db2.gz GADCXYTYICPOFA-VHSXEESVSA-N 1 0 317.353 -1.251 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCn2cnnn2)C[C@@H]1C ZINC001281458855 780682851 /nfs/dbraw/zinc/68/28/51/780682851.db2.gz VWWXVIUSKVTROT-NWDGAFQWSA-N 1 0 319.369 -1.751 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)CCn2cnnn2)C[C@H]1C ZINC001281458854 780683185 /nfs/dbraw/zinc/68/31/85/780683185.db2.gz VWWXVIUSKVTROT-NEPJUHHUSA-N 1 0 319.369 -1.751 20 30 DAEDRO COCC#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC(=O)N2)CC1 ZINC001281602974 780686444 /nfs/dbraw/zinc/68/64/44/780686444.db2.gz BNVKOEWZWJSUQF-CYBMUJFWSA-N 1 0 323.393 -1.142 20 30 DAEDRO C#CCOCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1O ZINC001281669627 780688612 /nfs/dbraw/zinc/68/86/12/780688612.db2.gz KJJGWXHCTBFJMM-HZSPNIEDSA-N 1 0 323.393 -1.192 20 30 DAEDRO C#CCOCCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1O ZINC001281669628 780688729 /nfs/dbraw/zinc/68/87/29/780688729.db2.gz KJJGWXHCTBFJMM-MGPQQGTHSA-N 1 0 323.393 -1.192 20 30 DAEDRO C[C@@H](CCNC(=O)[C@H]1CCNC(=O)C1)[NH2+]CC(=O)NCC#N ZINC001281702364 780689927 /nfs/dbraw/zinc/68/99/27/780689927.db2.gz FIKYTMNXJIDZTH-QWRGUYRKSA-N 1 0 309.370 -1.363 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001281703684 780690225 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322.369 -2.140 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cn(C)nc1C ZINC001283746035 780773414 /nfs/dbraw/zinc/77/34/14/780773414.db2.gz LRSYBYBLMAHHSM-NSHDSACASA-N 1 0 307.354 -1.842 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cnn2c1CCC2 ZINC001283762242 780773531 /nfs/dbraw/zinc/77/35/31/780773531.db2.gz BJDSFBOOHYUNDV-LLVKDONJSA-N 1 0 319.365 -1.741 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)c1ccc(C)nn1 ZINC001283757929 780773887 /nfs/dbraw/zinc/77/38/87/780773887.db2.gz XTAFPJZHHVAFIV-VXGBXAGGSA-N 1 0 319.365 -1.397 20 30 DAEDRO C=CCN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)Cn2ncnn2)C1=O ZINC001283756928 780773910 /nfs/dbraw/zinc/77/39/10/780773910.db2.gz OQDCBLAKDGRYKJ-GHMZBOCLSA-N 1 0 323.357 -2.473 20 30 DAEDRO C[C@@H]([NH2+][C@@H](CO)CNC(=O)C#CC(C)(C)C)C(=O)NC(N)=O ZINC001283754219 780774184 /nfs/dbraw/zinc/77/41/84/780774184.db2.gz BUMOSVYQEPBGRQ-NXEZZACHSA-N 1 0 312.370 -1.314 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)c1ccc(C)nn1 ZINC001283757924 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C=CCN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)c2ccn(C)n2)C1=O ZINC001283827200 780782269 /nfs/dbraw/zinc/78/22/69/780782269.db2.gz IUHCZSLFNAJFGC-WCQYABFASA-N 1 0 321.381 -1.113 20 30 DAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1cnn(C)c1OC ZINC001283826841 780782796 /nfs/dbraw/zinc/78/27/96/780782796.db2.gz YYPMAACLXQPTOL-LLVKDONJSA-N 1 0 310.354 -1.241 20 30 DAEDRO C#CCNC(=O)CN[C@@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001283832831 780783352 /nfs/dbraw/zinc/78/33/52/780783352.db2.gz XTDSFMSITGWZIW-ZIAGYGMSSA-N 1 0 324.425 -1.323 20 30 DAEDRO C=CCN1CC[C@H]([NH2+][C@H](CO)CNC(=O)c2nonc2C)C1=O ZINC001283832293 780783968 /nfs/dbraw/zinc/78/39/68/780783968.db2.gz SLTRTQSFOFCBDA-QWRGUYRKSA-N 1 0 323.353 -1.155 20 30 DAEDRO C[C@@H]1[C@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)c1nccnc1N ZINC001283865571 780784864 /nfs/dbraw/zinc/78/48/64/780784864.db2.gz HWVHKDNDNLKBBZ-NXEZZACHSA-N 1 0 317.353 -1.109 20 30 DAEDRO C#CCNC(=O)CC(=O)N1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001283862638 780785009 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20 30 DAEDRO C#CCNC(=O)C[N@@H+]1CC[C@]2(NC(=O)CC(N)=O)CCC[C@H]12 ZINC001284047857 780792737 /nfs/dbraw/zinc/79/27/37/780792737.db2.gz YZMCXEMAVBSCGT-XHDPSFHLSA-N 1 0 306.366 -1.276 20 30 DAEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001284175671 780797017 /nfs/dbraw/zinc/79/70/17/780797017.db2.gz VDOMKFMXPLFCIJ-VXGBXAGGSA-N 1 0 321.385 -1.150 20 30 DAEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)CNC(=O)CC(N)=O)CC1 ZINC001284215639 780799194 /nfs/dbraw/zinc/79/91/94/780799194.db2.gz JZKRWVHSNFJCCD-LLVKDONJSA-N 1 0 308.382 -1.172 20 30 DAEDRO CC1(C)CN(C(=O)[C@H]2COC(=O)N2)C[C@@H]1[NH2+]CC(=O)NCC#N ZINC001284278576 780802144 /nfs/dbraw/zinc/80/21/44/780802144.db2.gz OGMPYSXKKYNKRX-ZJUUUORDSA-N 1 0 323.353 -1.439 20 30 DAEDRO CC1(C)CN(C(=O)[C@@H]2CNC(=O)N2)C[C@@H]1[NH2+]CC(=O)NCC#N ZINC001284310928 780806174 /nfs/dbraw/zinc/80/61/74/780806174.db2.gz AHNCTFQWBPJAKO-UWVGGRQHSA-N 1 0 322.369 -1.866 20 30 DAEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C1CC1 ZINC001284374153 780810050 /nfs/dbraw/zinc/81/00/50/780810050.db2.gz PGXUJBSBOTXCSK-NSHDSACASA-N 1 0 312.370 -1.183 20 30 DAEDRO CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C(=O)c1cc[n+]([O-])cc1 ZINC001284377464 780810607 /nfs/dbraw/zinc/81/06/07/780810607.db2.gz BGUFQKFEWHJKKH-GFCCVEGCSA-N 1 0 321.337 -2.018 20 30 DAEDRO Cc1ncncc1C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001284392046 780811086 /nfs/dbraw/zinc/81/10/86/780811086.db2.gz YZWSWSAYDOKBEF-NSHDSACASA-N 1 0 320.353 -1.553 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1cc(C)nn1C ZINC001284389719 780811688 /nfs/dbraw/zinc/81/16/88/780811688.db2.gz SLBCROZAYYEHAB-GFCCVEGCSA-N 1 0 321.381 -1.500 20 30 DAEDRO Cc1c(C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NCC#N)cnn1C ZINC001284378453 780812024 /nfs/dbraw/zinc/81/20/24/780812024.db2.gz DNQSSGWOLQHOGU-LLVKDONJSA-N 1 0 322.369 -1.609 20 30 DAEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)CN(C)S(C)(=O)=O ZINC001284417837 780812678 /nfs/dbraw/zinc/81/26/78/780812678.db2.gz YBBYPLOHPNKAIW-LLVKDONJSA-N 1 0 305.400 -1.690 20 30 DAEDRO COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)CCc1nnc[nH]1 ZINC001284402829 780813156 /nfs/dbraw/zinc/81/31/56/780813156.db2.gz NPUTZKUIFPVGCS-LBPRGKRZSA-N 1 0 309.370 -1.204 20 30 DAEDRO Cc1[nH]nc(C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NCC#N)c1C ZINC001284405347 780813347 /nfs/dbraw/zinc/81/33/47/780813347.db2.gz TYPZBWPGNHFRDC-NSHDSACASA-N 1 0 322.369 -1.311 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001284418994 780814508 /nfs/dbraw/zinc/81/45/08/780814508.db2.gz WSSUDOFDKIQJRJ-JTQLQIEISA-N 1 0 309.330 -3.169 20 30 DAEDRO COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C)S(C)(=O)=O ZINC001284425496 780814861 /nfs/dbraw/zinc/81/48/61/780814861.db2.gz QNPIDNGVGFHEOE-RYUDHWBXSA-N 1 0 320.411 -1.522 20 30 DAEDRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C(=O)Cc1cnoc1 ZINC001284436011 780815635 /nfs/dbraw/zinc/81/56/35/780815635.db2.gz PRYUIXOHIVKEAD-NSHDSACASA-N 1 0 309.326 -1.734 20 30 DAEDRO C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001284444318 780815743 /nfs/dbraw/zinc/81/57/43/780815743.db2.gz JCEPPBGVNXKYHE-LLVKDONJSA-N 1 0 314.386 -1.695 20 30 DAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001284438982 780815847 /nfs/dbraw/zinc/81/58/47/780815847.db2.gz WSPPOZSTUMMFOP-SNVBAGLBSA-N 1 0 318.341 -1.650 20 30 DAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001284438981 780816217 /nfs/dbraw/zinc/81/62/17/780816217.db2.gz WSPPOZSTUMMFOP-JTQLQIEISA-N 1 0 318.341 -1.650 20 30 DAEDRO Cc1n[nH]cc1C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001284438144 780816359 /nfs/dbraw/zinc/81/63/59/780816359.db2.gz FQOJTSIKQCNBNA-SNVBAGLBSA-N 1 0 308.342 -1.620 20 30 DAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1n[nH]cc1F ZINC001284445252 780817753 /nfs/dbraw/zinc/81/77/53/780817753.db2.gz QTQHYCGRMTWKCU-SECBINFHSA-N 1 0 313.333 -1.127 20 30 DAEDRO CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C(=O)c1nccs1 ZINC001284461041 780818819 /nfs/dbraw/zinc/81/88/19/780818819.db2.gz WMIKHBHKYDXHAJ-SECBINFHSA-N 1 0 311.367 -1.195 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001284459637 780819117 /nfs/dbraw/zinc/81/91/17/780819117.db2.gz HOMJYOGYYPHPQX-QWRGUYRKSA-N 1 0 322.369 -2.025 20 30 DAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)c1cnon1 ZINC001284460026 780819345 /nfs/dbraw/zinc/81/93/45/780819345.db2.gz OSRMLDNPZCJMNZ-ZJUUUORDSA-N 1 0 311.342 -1.217 20 30 DAEDRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C(=O)c1nccs1 ZINC001284461042 780820387 /nfs/dbraw/zinc/82/03/87/780820387.db2.gz WMIKHBHKYDXHAJ-VIFPVBQESA-N 1 0 311.367 -1.195 20 30 DAEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)CCn1cc[nH]c(=O)c1=O ZINC001284459198 780820495 /nfs/dbraw/zinc/82/04/95/780820495.db2.gz BEPRAQBGSQUZCV-LBPRGKRZSA-N 1 0 322.365 -1.641 20 30 DAEDRO COCC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001284483047 780821649 /nfs/dbraw/zinc/82/16/49/780821649.db2.gz QCYOFCOKHUGHNI-GFCCVEGCSA-N 1 0 310.358 -1.926 20 30 DAEDRO C=C(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN1C(=O)CNC1=O ZINC001284519009 780825355 /nfs/dbraw/zinc/82/53/55/780825355.db2.gz GXSJFWXBPYVDNZ-LLVKDONJSA-N 1 0 312.370 -1.135 20 30 DAEDRO CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001284520163 780825377 /nfs/dbraw/zinc/82/53/77/780825377.db2.gz OZLCHHLBYRJPRX-NSHDSACASA-N 1 0 322.365 -1.126 20 30 DAEDRO CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001284520161 780825610 /nfs/dbraw/zinc/82/56/10/780825610.db2.gz OZLCHHLBYRJPRX-LLVKDONJSA-N 1 0 322.365 -1.126 20 30 DAEDRO C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CS(=O)(=O)NC ZINC001284518893 780825788 /nfs/dbraw/zinc/82/57/88/780825788.db2.gz GDXRVTOJJHIMGQ-LLVKDONJSA-N 1 0 305.400 -1.690 20 30 DAEDRO C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)CS(=O)(=O)NC ZINC001284518896 780825852 /nfs/dbraw/zinc/82/58/52/780825852.db2.gz GDXRVTOJJHIMGQ-NSHDSACASA-N 1 0 305.400 -1.690 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@@H](NC(=O)CNC(C)=O)C(C)(C)C ZINC001284562717 780828212 /nfs/dbraw/zinc/82/82/12/780828212.db2.gz PLWGSJQNXZRFDH-GFCCVEGCSA-N 1 0 310.398 -1.008 20 30 DAEDRO CC(C)(C)[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CNC(=O)N1 ZINC001284619870 780832082 /nfs/dbraw/zinc/83/20/82/780832082.db2.gz VGQZEEDNSPZBKW-ZJUUUORDSA-N 1 0 324.385 -1.572 20 30 DAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C1CC(N(C)C(=O)Cn2cnnn2)C1 ZINC001284741509 780837748 /nfs/dbraw/zinc/83/77/48/780837748.db2.gz ZSFOJRDLGICNMB-VOMCLLRMSA-N 1 0 321.385 -1.057 20 30 DAEDRO C=CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001284784797 780838444 /nfs/dbraw/zinc/83/84/44/780838444.db2.gz UUQKRWSJZCYGKT-HTAVTVPLSA-N 1 0 323.397 -1.109 20 30 DAEDRO C#CCNC(=O)C[NH2+]C1CC(N(C)C(=O)CCCC(N)=O)C1 ZINC001284826782 780839224 /nfs/dbraw/zinc/83/92/24/780839224.db2.gz GVBDCYVRGZJUKZ-UHFFFAOYSA-N 1 0 308.382 -1.030 20 30 DAEDRO C#CCNC(=O)CC(=O)N1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001284937187 780848267 /nfs/dbraw/zinc/84/82/67/780848267.db2.gz JJTNTIWATWMGDU-UHFFFAOYSA-N 1 0 308.382 -1.205 20 30 DAEDRO C#CCNC(=O)CC(=O)N1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001284943812 780849426 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DAEDRO CC(=O)N[C@@H](CS)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001144426748 781375898 /nfs/dbraw/zinc/37/58/98/781375898.db2.gz FYBUZQCNUCBDMY-QMMMGPOBSA-N 1 0 308.364 -1.915 20 30 DAEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001171190313 781377470 /nfs/dbraw/zinc/37/74/70/781377470.db2.gz RRSLYKGGRLKBSY-QDYJPZLASA-N 1 0 322.361 -1.121 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC(N)=O)C1 ZINC001111681423 781405026 /nfs/dbraw/zinc/40/50/26/781405026.db2.gz PTOXPDSKUAUFLP-WQGACYEGSA-N 1 0 320.393 -1.030 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)CC(=O)NC)C1 ZINC001100273699 781408819 /nfs/dbraw/zinc/40/88/19/781408819.db2.gz FUXGEFLGSFOVNC-UNXYVOJBSA-N 1 0 308.382 -1.255 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)CC(=O)NC)C1 ZINC001100273700 781409198 /nfs/dbraw/zinc/40/91/98/781409198.db2.gz FUXGEFLGSFOVNC-VOMCLLRMSA-N 1 0 308.382 -1.255 20 30 DAEDRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CCOC[C@@H]1C#N ZINC001160934102 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20 30 DAEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCNC(N)=O)[C@H]1C ZINC001180096345 781666847 /nfs/dbraw/zinc/66/68/47/781666847.db2.gz NHSDAYVJBBAZEB-QWRGUYRKSA-N 1 0 311.386 -1.074 20 30 DAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001180780014 781677992 /nfs/dbraw/zinc/67/79/92/781677992.db2.gz CEJRBMINVPOUMX-GFCCVEGCSA-N 1 0 303.322 -1.236 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001180788099 781678226 /nfs/dbraw/zinc/67/82/26/781678226.db2.gz OFIMGFILIMGQJX-SNVBAGLBSA-N 1 0 303.322 -1.264 20 30 DAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001180870269 781678783 /nfs/dbraw/zinc/67/87/83/781678783.db2.gz CKAYQGWBFGDPKQ-GHMZBOCLSA-N 1 0 307.358 -1.446 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001180870540 781678880 /nfs/dbraw/zinc/67/88/80/781678880.db2.gz GZHGSUOFEIVMBM-GHMZBOCLSA-N 1 0 305.342 -1.999 20 30 DAEDRO Cn1cc(C(=O)NCC[NH2+]CC(=O)NCC#N)c(=O)[nH]c1=O ZINC001150978641 781679308 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ZINC001267386538 775234191 /nfs/dbraw/zinc/23/41/91/775234191.db2.gz LINAHHLQPPSMKQ-RYUDHWBXSA-N 1 0 323.397 -1.285 20 30 DAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)c1cc2n(n1)CCO2 ZINC001267385282 775235208 /nfs/dbraw/zinc/23/52/08/775235208.db2.gz NUWPXLJZBOQEAK-UHFFFAOYSA-N 1 0 306.326 -1.423 20 30 DAEDRO CCN1CCOC[C@@H]1C(=O)N(C)CC[NH2+]CC(=O)NCC#N ZINC001267393989 775236980 /nfs/dbraw/zinc/23/69/80/775236980.db2.gz AVDOYFYTPVARRW-GFCCVEGCSA-N 1 0 311.386 -1.605 20 30 DAEDRO CC(=O)N1CCC[C@@H](C(=O)N(C)CC[NH2+]CC(=O)NCC#N)C1 ZINC001267398736 775237339 /nfs/dbraw/zinc/23/73/39/775237339.db2.gz WTWKFFHFCAUISR-CYBMUJFWSA-N 1 0 323.397 -1.067 20 30 DAEDRO CNS(=O)(=O)NCC(=O)N(C)CC[NH2+]CC#CCOC ZINC001267408165 775237518 /nfs/dbraw/zinc/23/75/18/775237518.db2.gz BFOBCZZBECUALF-UHFFFAOYSA-N 1 0 306.388 -2.262 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)c1ccnc(OC)n1 ZINC001267400958 775237599 /nfs/dbraw/zinc/23/75/99/775237599.db2.gz AZRVYCAQROYLSR-UHFFFAOYSA-N 1 0 305.338 -1.104 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C1(C(=O)NC)CC1 ZINC001267440222 775240466 /nfs/dbraw/zinc/24/04/66/775240466.db2.gz LUFGCDNYDPRVQB-NSHDSACASA-N 1 0 308.382 -1.302 20 30 DAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)CCN1CCOCC1 ZINC001267441851 775241347 /nfs/dbraw/zinc/24/13/47/775241347.db2.gz WLATVVIKDPHNDU-UHFFFAOYSA-N 1 0 311.386 -1.604 20 30 DAEDRO Cn1cc(C(=O)N(CCO)CC[NH2+]CC(=O)NCC#N)nn1 ZINC001279704570 775249047 /nfs/dbraw/zinc/24/90/47/775249047.db2.gz DBINRCJOJZHNNH-UHFFFAOYSA-N 1 0 309.330 -2.521 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1cncc(OC)n1 ZINC001167694039 775250751 /nfs/dbraw/zinc/25/07/51/775250751.db2.gz MNWWDXNCMZOUAT-UHFFFAOYSA-N 1 0 305.338 -1.056 20 30 DAEDRO C=CCOCC[NH2+]CCCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001167704101 775254934 /nfs/dbraw/zinc/25/49/34/775254934.db2.gz ZEIYJXKGCFLDEN-LBPRGKRZSA-N 1 0 314.386 -1.335 20 30 DAEDRO CNC(=O)C1(C(=O)NCC2CC([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001100755102 775258896 /nfs/dbraw/zinc/25/88/96/775258896.db2.gz 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C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H](C)S(C)(=O)=O ZINC001267809289 775283061 /nfs/dbraw/zinc/28/30/61/775283061.db2.gz ISCBNHCZWYOOER-QWRGUYRKSA-N 1 0 317.411 -1.347 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CC)CNC(=O)CNC(=O)OC ZINC001267797563 775283091 /nfs/dbraw/zinc/28/30/91/775283091.db2.gz KCAZSXDNEAZCKX-QWRGUYRKSA-N 1 0 312.370 -1.035 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001267821616 775284515 /nfs/dbraw/zinc/28/45/15/775284515.db2.gz PYCCRWYDAYMHPW-ZJUUUORDSA-N 1 0 323.353 -2.182 20 30 DAEDRO CC[C@H](CNC(=O)[C@@]1(C)CCNC1=O)[NH2+]CC(=O)NCC#N ZINC001267821073 775284829 /nfs/dbraw/zinc/28/48/29/775284829.db2.gz XXJWWDRIPWGMKO-YGRLFVJLSA-N 1 0 309.370 -1.363 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1CN(CC)CCO1 ZINC001267831564 775284884 /nfs/dbraw/zinc/28/48/84/775284884.db2.gz RVUMGAPQSMAZTK-ZIAGYGMSSA-N 1 0 324.425 -1.059 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@@](C)(NC(=O)CNC(=O)OC)C1CC1 ZINC001267848426 775285712 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C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)Cn1ncnn1 ZINC001267955783 775299446 /nfs/dbraw/zinc/29/94/46/775299446.db2.gz HUQRRCHYBSIAGP-LLVKDONJSA-N 1 0 307.358 -1.444 20 30 DAEDRO N#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)Cn1ncnn1 ZINC001267955680 775299652 /nfs/dbraw/zinc/29/96/52/775299652.db2.gz CXKYCBTUFSRSRI-SNVBAGLBSA-N 1 0 306.330 -2.107 20 30 DAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)Cn1cnnn1 ZINC001267950525 775299927 /nfs/dbraw/zinc/29/99/27/775299927.db2.gz SRDZWVKCIIBHRR-VXGBXAGGSA-N 1 0 321.385 -1.056 20 30 DAEDRO CN1C[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC(=O)NCC#N)NC1=O ZINC001267960420 775301393 /nfs/dbraw/zinc/30/13/93/775301393.db2.gz FZUXZUYACUNCSD-MNOVXSKESA-N 1 0 322.369 -1.770 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)Cn1cnnn1 ZINC001267976916 775307664 /nfs/dbraw/zinc/30/76/64/775307664.db2.gz BRSGNANPACGTDB-QWRGUYRKSA-N 1 0 307.358 -1.847 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)Cn1cnnn1 ZINC001267976915 775307798 /nfs/dbraw/zinc/30/77/98/775307798.db2.gz BRSGNANPACGTDB-MNOVXSKESA-N 1 0 307.358 -1.847 20 30 DAEDRO C#CCO[C@H](C)C(=O)NC[C@H](C)C[NH2+]CC(=O)NC(=O)NC ZINC001267984724 775308433 /nfs/dbraw/zinc/30/84/33/775308433.db2.gz FFYIBEZUPHPCSB-GHMZBOCLSA-N 1 0 312.370 -1.178 20 30 DAEDRO C[C@@H](CNC(=O)Cn1ncn(C)c1=O)C[NH2+]CC(=O)NCC#N ZINC001267990032 775311135 /nfs/dbraw/zinc/31/11/35/775311135.db2.gz HKVNCVLGXHIYMF-SNVBAGLBSA-N 1 0 323.357 -2.437 20 30 DAEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)c1nnn(C)n1 ZINC001268000495 775311529 /nfs/dbraw/zinc/31/15/29/775311529.db2.gz LDMYMDXJFADEGO-ZJUUUORDSA-N 1 0 309.374 -1.144 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001268004194 775312247 /nfs/dbraw/zinc/31/22/47/775312247.db2.gz UGNJMUNTNYWVKE-XQQFMLRXSA-N 1 0 322.409 -1.021 20 30 DAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2COCCN2C)C1=O ZINC001125960635 775312445 /nfs/dbraw/zinc/31/24/45/775312445.db2.gz MRHYVKSAGLMPQF-CHWSQXEVSA-N 1 0 310.398 -1.190 20 30 DAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2COCCN2C)C1=O ZINC001125960636 775312884 /nfs/dbraw/zinc/31/28/84/775312884.db2.gz MRHYVKSAGLMPQF-OLZOCXBDSA-N 1 0 310.398 -1.190 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)c1cnn(C)n1 ZINC001268007674 775315124 /nfs/dbraw/zinc/31/51/24/775315124.db2.gz ZBSSLMBUNBZEPW-QWRGUYRKSA-N 1 0 306.370 -1.092 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)c1cnn(C)n1 ZINC001268007676 775315489 /nfs/dbraw/zinc/31/54/89/775315489.db2.gz ZBSSLMBUNBZEPW-WDEREUQCSA-N 1 0 306.370 -1.092 20 30 DAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)NCC(F)(F)F ZINC001125977651 775316216 /nfs/dbraw/zinc/31/62/16/775316216.db2.gz CBRRWCNKJCPCPG-UHFFFAOYSA-N 1 0 322.287 -1.490 20 30 DAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CCn1nc(C)nc1C ZINC001125981994 775316368 /nfs/dbraw/zinc/31/63/68/775316368.db2.gz OGCNXCUVWBJSNS-UHFFFAOYSA-N 1 0 306.370 -1.260 20 30 DAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001125977878 775316752 /nfs/dbraw/zinc/31/67/52/775316752.db2.gz HQEXMYMSCPLZOF-UHFFFAOYSA-N 1 0 324.381 -1.873 20 30 DAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)NC(=O)NCC=C ZINC001125978143 775317060 /nfs/dbraw/zinc/31/70/60/775317060.db2.gz MCCNEGJZVBUVOI-UHFFFAOYSA-N 1 0 323.353 -2.157 20 30 DAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001125978139 775317545 /nfs/dbraw/zinc/31/75/45/775317545.db2.gz MAYBPJXHEKJDNA-GFCCVEGCSA-N 1 0 324.381 -1.873 20 30 DAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)N[C@H](C)C1CC1 ZINC001125997651 775318045 /nfs/dbraw/zinc/31/80/45/775318045.db2.gz CHVAKHQTYKTRFX-LLVKDONJSA-N 1 0 308.382 -1.254 20 30 DAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001125998708 775318203 /nfs/dbraw/zinc/31/82/03/775318203.db2.gz TZLVMAJKSPMPBV-UHFFFAOYSA-N 1 0 304.372 -2.619 20 30 DAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CCCS(=O)(=O)CC ZINC001125998109 775318569 /nfs/dbraw/zinc/31/85/69/775318569.db2.gz KGDLDWAFRWIOPU-UHFFFAOYSA-N 1 0 317.411 -1.344 20 30 DAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@H](C)C(=O)NCC(C)C ZINC001125999141 775318593 /nfs/dbraw/zinc/31/85/93/775318593.db2.gz YUNRAKRNTSGAGC-GFCCVEGCSA-N 1 0 310.398 -1.008 20 30 DAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]C[C@H](O)COCCOC ZINC001125998746 775318818 /nfs/dbraw/zinc/31/88/18/775318818.db2.gz UQOXVSYMKQTZGF-LBPRGKRZSA-N 1 0 315.370 -2.144 20 30 DAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001125998100 775318884 /nfs/dbraw/zinc/31/88/84/775318884.db2.gz JYYZLBNSTBEYKD-UHFFFAOYSA-N 1 0 309.326 -2.617 20 30 DAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001125998324 775319066 /nfs/dbraw/zinc/31/90/66/775319066.db2.gz ORBPIHXTCMGOON-LBPRGKRZSA-N 1 0 308.382 -1.252 20 30 DAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC001125997885 775319171 /nfs/dbraw/zinc/31/91/71/775319171.db2.gz FACVTXZBXPIITP-LLVKDONJSA-N 1 0 317.411 -1.488 20 30 DAEDRO C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@H](C)NC(N)=O ZINC001126194308 775332970 /nfs/dbraw/zinc/33/29/70/775332970.db2.gz GYMFEZKCSHHJNA-NSHDSACASA-N 1 0 311.386 -1.050 20 30 DAEDRO 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O=C[C@H](NC1CC[NH+](C2CC2)CC1)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001256068150 780506990 /nfs/dbraw/zinc/50/69/90/780506990.db2.gz YJZGSNCERKJRKW-REWJHTLYSA-N 1 0 302.371 -2.155 20 30 DAEDRO CC(C)(C)[NH+]1CCC(N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001256562200 780509508 /nfs/dbraw/zinc/50/95/08/780509508.db2.gz ZXAKEMFKVWAIFK-REWJHTLYSA-N 1 0 318.414 -1.519 20 30 DAEDRO Cn1nnc(C(=O)N[C@@H](C[NH2+]CC(=O)NCC#N)C(C)(C)C)n1 ZINC001278988715 780511254 /nfs/dbraw/zinc/51/12/54/780511254.db2.gz HSOSMXZWUKOTRV-VIFPVBQESA-N 1 0 322.373 -1.416 20 30 DAEDRO C#CCOCCNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC001257241286 780513176 /nfs/dbraw/zinc/51/31/76/780513176.db2.gz IEPITQKJYTUIQP-AWEZNQCLSA-N 1 0 324.425 -1.248 20 30 DAEDRO CC(C)OC1CCC([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001257872027 780517199 /nfs/dbraw/zinc/51/71/99/780517199.db2.gz OAVHULMMYZRZJH-ULHNMZNISA-N 1 0 319.398 -1.045 20 30 DAEDRO C#CC[NH2+]CC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001263065873 780576857 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312.370 -1.984 20 30 DAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1OCC ZINC001263972049 780581936 /nfs/dbraw/zinc/58/19/36/780581936.db2.gz OKJUOHKIZXHAPZ-GRYCIOLGSA-N 1 0 322.365 -1.329 20 30 DAEDRO C#CCNC(=O)C[NH2+]C1CC(CNC(=O)Cn2cnnn2)C1 ZINC001264210295 780583073 /nfs/dbraw/zinc/58/30/73/780583073.db2.gz BXFSYEAJTBEGKC-UHFFFAOYSA-N 1 0 305.342 -2.093 20 30 DAEDRO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C ZINC001264292136 780583508 /nfs/dbraw/zinc/58/35/08/780583508.db2.gz BMGHYEBMTSSOSG-GMTAPVOTSA-N 1 0 309.370 -1.594 20 30 DAEDRO CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001264392699 780584219 /nfs/dbraw/zinc/58/42/19/780584219.db2.gz YSFZNUDJFAOODT-PHIMTYICSA-N 1 0 304.354 -1.115 20 30 DAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CO[C@@H]2CCOC2)C1 ZINC001264391703 780584380 /nfs/dbraw/zinc/58/43/80/780584380.db2.gz ZRCTYBZIYIKIPK-FRRDWIJNSA-N 1 0 324.381 -1.084 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CCn2ccnn2)C1 ZINC001264390392 780584742 /nfs/dbraw/zinc/58/47/42/780584742.db2.gz RREUMOGUNGTDGM-BETUJISGSA-N 1 0 318.381 -1.098 20 30 DAEDRO N#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001264486029 780585359 /nfs/dbraw/zinc/58/53/59/780585359.db2.gz YKHUSNBWNZYXIO-WDEREUQCSA-N 1 0 319.369 -1.139 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001264401450 780585687 /nfs/dbraw/zinc/58/56/87/780585687.db2.gz AZOVOBRWMDMRNW-FRRDWIJNSA-N 1 0 320.393 -1.159 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CNC(=O)C2CC2)C1 ZINC001264415935 780585965 /nfs/dbraw/zinc/58/59/65/780585965.db2.gz JCYNNUDEPBHLMZ-AULYBMBSSA-N 1 0 320.393 -1.254 20 30 DAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001264420182 780585982 /nfs/dbraw/zinc/58/59/82/780585982.db2.gz QKEZTVCZXOJSFO-GUBZILKMSA-N 1 0 309.326 -1.781 20 30 DAEDRO C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCN(C)C2=O)n1 ZINC001264582904 780586960 /nfs/dbraw/zinc/58/69/60/780586960.db2.gz 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ZINC001265171240 780594364 /nfs/dbraw/zinc/59/43/64/780594364.db2.gz MWIXMITXULLIQA-ZDUSSCGKSA-N 1 0 320.393 -1.157 20 30 DAEDRO COCC#CC[NH2+][C@H](CNC(=O)CN1C(=O)CNC1=O)C1CC1 ZINC001265380295 780600606 /nfs/dbraw/zinc/60/06/06/780600606.db2.gz LHESODCYIXKEDC-GFCCVEGCSA-N 1 0 322.365 -1.328 20 30 DAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001265420732 780600750 /nfs/dbraw/zinc/60/07/50/780600750.db2.gz DXLMUOSLZNTNJG-MNOVXSKESA-N 1 0 317.411 -1.088 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H](CNC(=O)c1cnn(C)n1)C1CC1 ZINC001265374979 780600764 /nfs/dbraw/zinc/60/07/64/780600764.db2.gz YWHOJSDTWRKXLM-NSHDSACASA-N 1 0 304.354 -1.338 20 30 DAEDRO C#CC[NH2+][C@H](CNC(=O)[C@H](C)NC(=O)Cn1cnnn1)C1CC1 ZINC001265376070 780601075 /nfs/dbraw/zinc/60/10/75/780601075.db2.gz HJOCKMGASUYOTI-CMPLNLGQSA-N 1 0 319.369 -1.705 20 30 DAEDRO CC(C)(C(N)=O)C(=O)NC[C@@H]([NH2+]CC(=O)NCC#N)C1CC1 ZINC001265358477 780601165 /nfs/dbraw/zinc/60/11/65/780601165.db2.gz KHQJHVWTENCOEK-SNVBAGLBSA-N 1 0 309.370 -1.378 20 30 DAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001265420733 780601368 /nfs/dbraw/zinc/60/13/68/780601368.db2.gz DXLMUOSLZNTNJG-QWRGUYRKSA-N 1 0 317.411 -1.088 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001265378680 780601388 /nfs/dbraw/zinc/60/13/88/780601388.db2.gz QDGAOUOAUMFCQW-RYUDHWBXSA-N 1 0 306.366 -1.501 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001265480105 780601817 /nfs/dbraw/zinc/60/18/17/780601817.db2.gz LVEWBMGRKDKXLK-SRVKXCTJSA-N 1 0 306.366 -1.549 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001265475387 780601893 /nfs/dbraw/zinc/60/18/93/780601893.db2.gz JVCGUEJNUUDXME-JOCQHMNTSA-N 1 0 306.366 -1.549 20 30 DAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CO[C@@H]2CCOC2)C1 ZINC001265478602 780601970 /nfs/dbraw/zinc/60/19/70/780601970.db2.gz JSNIFQGBDHFIJA-IJLUTSLNSA-N 1 0 310.354 -1.332 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CNC(=O)OC)C1 ZINC001265466859 780602305 /nfs/dbraw/zinc/60/23/05/780602305.db2.gz AIKZPHQSKBMFDB-GMTAPVOTSA-N 1 0 310.354 -1.283 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001265471916 780602321 /nfs/dbraw/zinc/60/23/21/780602321.db2.gz AUYWJYCTAPXSPP-IJLUTSLNSA-N 1 0 306.366 -1.501 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2ccn(C)c(=O)c2)C1 ZINC001265484984 780602418 /nfs/dbraw/zinc/60/24/18/780602418.db2.gz UKDQXYXWTCNMBJ-JOCQHMNTSA-N 1 0 316.361 -1.015 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001265446543 780602435 /nfs/dbraw/zinc/60/24/35/780602435.db2.gz KAJDSGXTHUVXNM-JTQLQIEISA-N 1 0 317.349 -1.333 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CNC(=O)OC)C1 ZINC001265466858 780602472 /nfs/dbraw/zinc/60/24/72/780602472.db2.gz AIKZPHQSKBMFDB-DCAQKATOSA-N 1 0 310.354 -1.283 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CCNC(=O)NC)C1 ZINC001265537147 780603223 /nfs/dbraw/zinc/60/32/23/780603223.db2.gz MDAKTRQCFDZIHP-PHIMTYICSA-N 1 0 309.370 -1.708 20 30 DAEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001265501721 780603581 /nfs/dbraw/zinc/60/35/81/780603581.db2.gz RFDFDLGJUKITIQ-DCAQKATOSA-N 1 0 307.358 -1.399 20 30 DAEDRO CCN1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001265506943 780603726 /nfs/dbraw/zinc/60/37/26/780603726.db2.gz BBJWWHGZKHDGBF-AVGNSLFASA-N 1 0 323.397 -1.416 20 30 DAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CCN2CCOCC2)C1 ZINC001265499167 780603769 /nfs/dbraw/zinc/60/37/69/780603769.db2.gz WWZUYLPFPNRTNR-JOCQHMNTSA-N 1 0 323.397 -1.415 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CNC(=O)CC)C1 ZINC001265533094 780603782 /nfs/dbraw/zinc/60/37/82/780603782.db2.gz PHWUSVBSXRICPQ-SDDRHHMPSA-N 1 0 308.382 -1.113 20 30 DAEDRO C#CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001265582208 780604298 /nfs/dbraw/zinc/60/42/98/780604298.db2.gz NQFYJZZYVUSDHY-VXGBXAGGSA-N 1 0 322.365 -1.328 20 30 DAEDRO CN1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCC#N)C2)CC1=O ZINC001265546270 780604314 /nfs/dbraw/zinc/60/43/14/780604314.db2.gz HNFRBDPHCNPSDY-UTUOFQBUSA-N 1 0 321.381 -1.269 20 30 DAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cnon2)C1 ZINC001265562062 780604329 /nfs/dbraw/zinc/60/43/29/780604329.db2.gz UHVTXQQMHTUFNW-DTORHVGOSA-N 1 0 322.325 -1.068 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001265554187 780604397 /nfs/dbraw/zinc/60/43/97/780604397.db2.gz MTQLYKXCFHWJMA-FVCCEPFGSA-N 1 0 320.393 -1.018 20 30 DAEDRO CCS(=O)(=O)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001265573016 780604477 /nfs/dbraw/zinc/60/44/77/780604477.db2.gz QXMSCQXAWHKOAA-AOOOYVTPSA-N 1 0 316.383 -1.702 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C2(C(=O)NC)CC2)C1 ZINC001265561718 780604786 /nfs/dbraw/zinc/60/47/86/780604786.db2.gz GRJVHGSKGZIEKM-UTUOFQBUSA-N 1 0 320.393 -1.113 20 30 DAEDRO C=CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001265584000 780604840 /nfs/dbraw/zinc/60/48/40/780604840.db2.gz DRWKFWASGKVSHR-GFCCVEGCSA-N 1 0 321.385 -1.197 20 30 DAEDRO C#CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001265582206 780604936 /nfs/dbraw/zinc/60/49/36/780604936.db2.gz NQFYJZZYVUSDHY-NWDGAFQWSA-N 1 0 322.365 -1.328 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001265602437 780605801 /nfs/dbraw/zinc/60/58/01/780605801.db2.gz DOGGOJPSQORKPD-QWHCGFSZSA-N 1 0 320.393 -1.157 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001265602436 780606034 /nfs/dbraw/zinc/60/60/34/780606034.db2.gz DOGGOJPSQORKPD-CHWSQXEVSA-N 1 0 320.393 -1.157 20 30 DAEDRO N#CCNC(=O)C[NH2+]C1CCC(NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001265739466 780606960 /nfs/dbraw/zinc/60/69/60/780606960.db2.gz MQNJVZBFZUNOLZ-ILDUYXDCSA-N 1 0 322.369 -1.675 20 30 DAEDRO C#CCOCCC(=O)NC[C@H](C)[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001265775251 780607580 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C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)C1(C(=O)NC)CC1 ZINC001265838711 780609910 /nfs/dbraw/zinc/60/99/10/780609910.db2.gz PAVLFZVHTULIIR-QWRGUYRKSA-N 1 0 308.382 -1.255 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)C1(C(=O)NC)CC1 ZINC001265838712 780609965 /nfs/dbraw/zinc/60/99/65/780609965.db2.gz PAVLFZVHTULIIR-WDEREUQCSA-N 1 0 308.382 -1.255 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H](NC(C)=O)C(C)C ZINC001265853738 780610100 /nfs/dbraw/zinc/61/01/00/780610100.db2.gz STDGVKKHIIQIFV-SMDDNHRTSA-N 1 0 310.398 -1.009 20 30 DAEDRO COc1ccc(C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC#N)nn1 ZINC001265847970 780610440 /nfs/dbraw/zinc/61/04/40/780610440.db2.gz FROAPJXZLGPNFV-SECBINFHSA-N 1 0 306.326 -1.167 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)CCc1cn(C)nn1 ZINC001265875773 780611564 /nfs/dbraw/zinc/61/15/64/780611564.db2.gz LNNGPXWSOISUFD-NWDGAFQWSA-N 1 0 320.397 -1.020 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCN1C(C)=O ZINC001265870228 780611962 /nfs/dbraw/zinc/61/19/62/780611962.db2.gz LNXWAVHMCLUHON-WCQYABFASA-N 1 0 308.382 -1.159 20 30 DAEDRO C[C@@H](C#N)C(=O)N1CCC[C@@H](C(=O)NCC[NH2+]CC(N)=O)C1 ZINC001265878322 780612206 /nfs/dbraw/zinc/61/22/06/780612206.db2.gz ABBMOEJSDLCKAV-WDEREUQCSA-N 1 0 309.370 -1.424 20 30 DAEDRO CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)NCC#N ZINC001265870207 780612215 /nfs/dbraw/zinc/61/22/15/780612215.db2.gz LDSOXBPXDAZHGG-CMPLNLGQSA-N 1 0 309.370 -1.269 20 30 DAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001265885311 780613227 /nfs/dbraw/zinc/61/32/27/780613227.db2.gz CKAYQGWBFGDPKQ-QWRGUYRKSA-N 1 0 307.358 -1.446 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCn2cncn2)C1 ZINC001265885357 780613306 /nfs/dbraw/zinc/61/33/06/780613306.db2.gz FLZJIHOZFQCNFE-LBPRGKRZSA-N 1 0 304.354 -1.392 20 30 DAEDRO Cn1ccc(CC(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)C2)n1 ZINC001265903519 780613378 /nfs/dbraw/zinc/61/33/78/780613378.db2.gz TZHDSWUIMLDCIK-LBPRGKRZSA-N 1 0 304.354 -1.207 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C2CN(C(C)=O)C2)C1 ZINC001265900535 780613399 /nfs/dbraw/zinc/61/33/99/780613399.db2.gz ASQDJARRVHRJGE-ZDUSSCGKSA-N 1 0 306.366 -1.595 20 30 DAEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CS(=O)(=O)CC)C1 ZINC001265947385 780614806 /nfs/dbraw/zinc/61/48/06/780614806.db2.gz JAPFVXUXGHGXAX-NSHDSACASA-N 1 0 317.411 -1.086 20 30 DAEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001265951850 780616448 /nfs/dbraw/zinc/61/64/48/780616448.db2.gz SURAPKZESFFIPW-RYUDHWBXSA-N 1 0 307.350 -1.121 20 30 DAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001266004514 780617053 /nfs/dbraw/zinc/61/70/53/780617053.db2.gz GAAYLOHEXWNWIJ-GHMZBOCLSA-N 1 0 321.385 -1.048 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2c[nH]c(=O)n2C)C1 ZINC001266004628 780617080 /nfs/dbraw/zinc/61/70/80/780617080.db2.gz IDKHOXSDLRLHDU-LLVKDONJSA-N 1 0 319.365 -1.073 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2c[nH]c(=O)n2C)C1 ZINC001266004629 780617107 /nfs/dbraw/zinc/61/71/07/780617107.db2.gz IDKHOXSDLRLHDU-NSHDSACASA-N 1 0 319.365 -1.073 20 30 DAEDRO CC[N@H+](CCCNC(=O)c1ncn(C)n1)CC(=O)NCC#N ZINC001266040643 780617190 /nfs/dbraw/zinc/61/71/90/780617190.db2.gz LWIHVDGAXIGDBA-UHFFFAOYSA-N 1 0 307.358 -1.103 20 30 DAEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001266004516 780617385 /nfs/dbraw/zinc/61/73/85/780617385.db2.gz GAAYLOHEXWNWIJ-QWRGUYRKSA-N 1 0 321.385 -1.048 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)CS(C)(=O)=O ZINC001266131172 780618160 /nfs/dbraw/zinc/61/81/60/780618160.db2.gz UDFDYNDAMVAIMH-JTQLQIEISA-N 1 0 303.384 -1.735 20 30 DAEDRO C=CCNC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001266043836 780618621 /nfs/dbraw/zinc/61/86/21/780618621.db2.gz LRVZRCVRQDUARC-NWDGAFQWSA-N 1 0 321.385 -1.008 20 30 DAEDRO C=CCNC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001266043837 780618625 /nfs/dbraw/zinc/61/86/25/780618625.db2.gz LRVZRCVRQDUARC-RYUDHWBXSA-N 1 0 321.385 -1.008 20 30 DAEDRO C[C@@H](CCNC(=O)C1CS(=O)(=O)C1)[NH2+]CC(=O)NCC#N ZINC001266147193 780618800 /nfs/dbraw/zinc/61/88/00/780618800.db2.gz XGNUACJVALWLCK-VIFPVBQESA-N 1 0 316.383 -1.845 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)C1CS(=O)(=O)C1 ZINC001266147090 780618859 /nfs/dbraw/zinc/61/88/59/780618859.db2.gz VUAROLOYCSZAIN-SNVBAGLBSA-N 1 0 315.395 -1.735 20 30 DAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001266043838 780618880 /nfs/dbraw/zinc/61/88/80/780618880.db2.gz LRVZRCVRQDUARC-VXGBXAGGSA-N 1 0 321.385 -1.008 20 30 DAEDRO COCC#CC[NH2+][C@@H](C)CCNC(=O)CN1CCNC(=O)C1 ZINC001266166875 780618978 /nfs/dbraw/zinc/61/89/78/780618978.db2.gz JWKDJRGCDZPYHH-ZDUSSCGKSA-N 1 0 310.398 -1.448 20 30 DAEDRO COCC#CC[NH2+][C@@H](C)CCNC(=O)CN1C(=O)CNC1=O ZINC001266186178 780620415 /nfs/dbraw/zinc/62/04/15/780620415.db2.gz DVFSXXSQGYEMDD-NSHDSACASA-N 1 0 310.354 -1.328 20 30 DAEDRO C#CCC[NH2+]C[C@@H]1CN(C(=O)CNC(=O)CNC(C)=O)C[C@@H]1C ZINC001279113719 780621368 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N#CCNC(=O)C[NH2+]CCN(CCO)C(=O)c1cscn1 ZINC001279672227 780624113 /nfs/dbraw/zinc/62/41/13/780624113.db2.gz GZGJMJLIMAUMJE-UHFFFAOYSA-N 1 0 311.367 -1.193 20 30 DAEDRO C[C@H](C#N)C(=O)N(CCO)CCNCc1nnc2n1CCOC2 ZINC001279673577 780624720 /nfs/dbraw/zinc/62/47/20/780624720.db2.gz USXIIPRFQXRNSG-LLVKDONJSA-N 1 0 322.369 -1.122 20 30 DAEDRO COCC#CC[NH2+]CCN(CCO)C(=O)c1cn[nH]c(=O)c1 ZINC001279736398 780626311 /nfs/dbraw/zinc/62/63/11/780626311.db2.gz DEBRXRZCJIQUFZ-UHFFFAOYSA-N 1 0 308.338 -1.144 20 30 DAEDRO O=C(C#CC1CC1)N(CCO)CC[NH2+]CCN1CCNC1=O ZINC001279711289 780626339 /nfs/dbraw/zinc/62/63/39/780626339.db2.gz LSTIWTFQYUQPFV-UHFFFAOYSA-N 1 0 308.382 -1.165 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001279801457 780627716 /nfs/dbraw/zinc/62/77/16/780627716.db2.gz XNZYTFLJUKKOFX-IGQOVBAYSA-N 1 0 323.393 -1.573 20 30 DAEDRO C#CCC[NH2+]CCN(CCO)C(=O)Cn1nc(C)n(C)c1=O ZINC001279893403 780630302 /nfs/dbraw/zinc/63/03/02/780630302.db2.gz SNXLOABUFKESAU-UHFFFAOYSA-N 1 0 309.370 -1.676 20 30 DAEDRO CNC(=O)C1(C(=O)NCC2([NH2+]CC(=O)NCC#N)CCC2)CC1 ZINC001280521813 780635931 /nfs/dbraw/zinc/63/59/31/780635931.db2.gz BFFZIPOYLVIPBG-UHFFFAOYSA-N 1 0 321.381 -1.219 20 30 DAEDRO C=CCC[NH2+]C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)CCO1 ZINC001280583331 780639212 /nfs/dbraw/zinc/63/92/12/780639212.db2.gz OBRCYZGHCYAWQK-LLVKDONJSA-N 1 0 322.369 -1.230 20 30 DAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)CCO1 ZINC001280647910 780640130 /nfs/dbraw/zinc/64/01/30/780640130.db2.gz IGVWVBYQSIZBKI-GFCCVEGCSA-N 1 0 320.349 -1.623 20 30 DAEDRO C=C(C)C[NH2+]C[C@H]1CN(C(=O)CN2CCNC(=O)C2)CCO1 ZINC001280618547 780640378 /nfs/dbraw/zinc/64/03/78/780640378.db2.gz BBEBAIJCHCLPDR-ZDUSSCGKSA-N 1 0 310.398 -1.189 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)COCC)C1 ZINC001281101937 780662051 /nfs/dbraw/zinc/66/20/51/780662051.db2.gz WWWULEOEQPPCND-OAHLLOKOSA-N 1 0 311.382 -1.285 20 30 DAEDRO CC(C)C#CC(=O)N1CCC[C@@](CO)([NH2+]CC(=O)NC(N)=O)C1 ZINC001281120745 780666683 /nfs/dbraw/zinc/66/66/83/780666683.db2.gz MAKIVBSQQFOKQP-OAHLLOKOSA-N 1 0 324.381 -1.216 20 30 DAEDRO C#CC[NH2+][C@@]1(CO)CCCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC001281144169 780668196 /nfs/dbraw/zinc/66/81/96/780668196.db2.gz ARYOZURRSMXOPY-HNNXBMFYSA-N 1 0 321.381 -1.452 20 30 DAEDRO C#CC[NH2+][C@@]1(CO)CCCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001281167996 780669258 /nfs/dbraw/zinc/66/92/58/780669258.db2.gz OWEBHZHRCJVJGX-HNNXBMFYSA-N 1 0 307.350 -1.385 20 30 DAEDRO C#CC[NH2+]CC1(NC(=O)C[C@@H]2NC(=O)NC2=O)CCOCC1 ZINC001281240522 780671150 /nfs/dbraw/zinc/67/11/50/780671150.db2.gz ZAVFYZVBWIIOPL-JTQLQIEISA-N 1 0 308.338 -1.527 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CC1(NC(=O)C(N)=O)CCOCC1 ZINC001281263681 780675587 /nfs/dbraw/zinc/67/55/87/780675587.db2.gz CETYZBLNDOQPIA-SNVBAGLBSA-N 1 0 310.354 -2.135 20 30 DAEDRO C#CCC[NH2+][C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C ZINC001281393042 780681788 /nfs/dbraw/zinc/68/17/88/780681788.db2.gz ATMNNKLDNWQQNJ-WDEREUQCSA-N 1 0 304.354 -1.163 20 30 DAEDRO C#CCC[NH2+][C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C ZINC001281393033 780682266 /nfs/dbraw/zinc/68/22/66/780682266.db2.gz ATMNNKLDNWQQNJ-MNOVXSKESA-N 1 0 304.354 -1.163 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)CCCC(N)=O)C[C@H]1C ZINC001281476064 780683949 /nfs/dbraw/zinc/68/39/49/780683949.db2.gz OYUVXAFEGJXIBI-NEPJUHHUSA-N 1 0 308.382 -1.172 20 30 DAEDRO C=CCNC(=O)C[NH2+]C1(C)CCN(C(=O)Cn2cnnn2)CC1 ZINC001281480993 780684166 /nfs/dbraw/zinc/68/41/66/780684166.db2.gz VPYJZNFIXMLHQQ-UHFFFAOYSA-N 1 0 321.385 -1.054 20 30 DAEDRO C=CCOCC[NH2+]CC1(O)CCN(C(=O)c2nnn(C)n2)CC1 ZINC001281627450 780686410 /nfs/dbraw/zinc/68/64/10/780686410.db2.gz SWPDTZSQGKPTEU-UHFFFAOYSA-N 1 0 324.385 -1.031 20 30 DAEDRO C#CC[NH2+]CC1(O)CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1 ZINC001281636416 780686535 /nfs/dbraw/zinc/68/65/35/780686535.db2.gz XZPIGEJIAVMXAP-LBPRGKRZSA-N 1 0 324.381 -2.057 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)CN1CCOCC1=O ZINC001281722132 780691573 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C#CCNC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)Cn1cnnn1 ZINC001282280161 780703477 /nfs/dbraw/zinc/70/34/77/780703477.db2.gz OXQRRGXFLLYXFU-UHFFFAOYSA-N 1 0 321.385 -1.503 20 30 DAEDRO COCC#CC[N@H+](C)[C@H](C)CNC(=O)Cn1ncn(C)c1=O ZINC001282410091 780704725 /nfs/dbraw/zinc/70/47/25/780704725.db2.gz AVZJYOZKQJPVNK-GFCCVEGCSA-N 1 0 309.370 -1.332 20 30 DAEDRO COCC#CC[N@H+](C)[C@H](C)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001282402958 780705390 /nfs/dbraw/zinc/70/53/90/780705390.db2.gz SOOBXRATPVEDKC-MNOVXSKESA-N 1 0 310.354 -1.329 20 30 DAEDRO C=CCNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COC(=O)N3)[C@@H]2C1 ZINC001282849079 780715835 /nfs/dbraw/zinc/71/58/35/780715835.db2.gz LFBYVGNDLRJLCH-WISYIIOYSA-N 1 0 322.365 -1.309 20 30 DAEDRO C#CCNC(=O)CN1C[C@@H](NC(=O)Cc2nc[nH]n2)C(C)(C)C1 ZINC001282831282 780716010 /nfs/dbraw/zinc/71/60/10/780716010.db2.gz DMCTUNSZTOQQON-LLVKDONJSA-N 1 0 318.381 -1.077 20 30 DAEDRO CNC(=O)NCC(=O)N[C@H]1CN(CC(=O)NCC#N)CC1(C)C ZINC001282810468 780716072 /nfs/dbraw/zinc/71/60/72/780716072.db2.gz JJGKWTKCUBJTJD-JTQLQIEISA-N 1 0 324.385 -1.618 20 30 DAEDRO C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)CC(N)=O)C(C)(C)C1 ZINC001282796036 780716320 /nfs/dbraw/zinc/71/63/20/780716320.db2.gz FVIKNTNLZKXASB-WDEREUQCSA-N 1 0 308.382 -1.174 20 30 DAEDRO C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@H](NC(C)=O)C(N)=O)[C@@H]2C1 ZINC001282877618 780716934 /nfs/dbraw/zinc/71/69/34/780716934.db2.gz OEKVZIWBBMSFDH-RVMXOQNASA-N 1 0 308.382 -1.154 20 30 DAEDRO C#CCO[C@@H](C)C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001282858955 780716964 /nfs/dbraw/zinc/71/69/64/780716964.db2.gz OLINGASAFGZRHT-FIQHERPVSA-N 1 0 322.365 -1.486 20 30 DAEDRO C#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)CCO1 ZINC001282912093 780720871 /nfs/dbraw/zinc/72/08/71/780720871.db2.gz NWUDYGXMZNCXMD-RYUDHWBXSA-N 1 0 307.354 -1.580 20 30 DAEDRO C=CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CS(=O)(=O)NC)CCO1 ZINC001282927624 780723000 /nfs/dbraw/zinc/72/30/00/780723000.db2.gz GTJCVLOWAGATET-QWRGUYRKSA-N 1 0 305.400 -1.073 20 30 DAEDRO C#CC[NH+]1CCC(C(=O)NCCNC(=O)Cn2ncnn2)CC1 ZINC001283031137 780734552 /nfs/dbraw/zinc/73/45/52/780734552.db2.gz MKXLPBGACAMVKU-UHFFFAOYSA-N 1 0 319.369 -1.749 20 30 DAEDRO C#CC[NH+]1CCC(C(=O)NCCNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001283064309 780738188 /nfs/dbraw/zinc/73/81/88/780738188.db2.gz QGZMBBKOPMTPAS-OLZOCXBDSA-N 1 0 320.393 -1.315 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]2C(N)=O)C1 ZINC001283071034 780738357 /nfs/dbraw/zinc/73/83/57/780738357.db2.gz HVEOLJZDLWDNHB-FDYHWXHSSA-N 1 0 320.393 -1.268 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)Cn1cncn1 ZINC001283554363 780765523 /nfs/dbraw/zinc/76/55/23/780765523.db2.gz DNKFAKWJOJGYFB-CYBMUJFWSA-N 1 0 318.381 -1.146 20 30 DAEDRO Cc1c(C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NCC#N)nnn1C ZINC001283592841 780766024 /nfs/dbraw/zinc/76/60/24/780766024.db2.gz XIPXACJBRVYQAK-VIFPVBQESA-N 1 0 307.358 -1.187 20 30 DAEDRO C#CCO[C@@H](C)C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001283609081 780766096 /nfs/dbraw/zinc/76/60/96/780766096.db2.gz XKZWOEMYNWWVTN-QWRGUYRKSA-N 1 0 312.370 -1.083 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)c1nnn(C)c1C ZINC001283589948 780766247 /nfs/dbraw/zinc/76/62/47/780766247.db2.gz BOBAVDMFQYEHBC-JTQLQIEISA-N 1 0 306.370 -1.077 20 30 DAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)C1CC1 ZINC001283725501 780770154 /nfs/dbraw/zinc/77/01/54/780770154.db2.gz WJHCUGVKDAHETQ-ONGXEEELSA-N 1 0 312.370 -1.137 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cc1nnc[nH]1 ZINC001283701228 780770338 /nfs/dbraw/zinc/77/03/38/780770338.db2.gz BRYJFJYDKJBPJW-QWRGUYRKSA-N 1 0 306.370 -1.078 20 30 DAEDRO N#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1ccccc1O ZINC001283734341 780771360 /nfs/dbraw/zinc/77/13/60/780771360.db2.gz PFWRLDKFNMGVPD-JTQLQIEISA-N 1 0 306.322 -1.288 20 30 DAEDRO N#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1ccncc1F ZINC001283742773 780771402 /nfs/dbraw/zinc/77/14/02/780771402.db2.gz NGXYGWMFERZHJY-VIFPVBQESA-N 1 0 309.301 -1.459 20 30 DAEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ccc(C#N)[nH]1 ZINC001283743769 780772522 /nfs/dbraw/zinc/77/25/22/780772522.db2.gz INTRBLFBTQKKRT-LLVKDONJSA-N 1 0 305.338 -1.131 20 30 DAEDRO C[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N)n1cccc1 ZINC001283746518 780773289 /nfs/dbraw/zinc/77/32/89/780773289.db2.gz XOWDWKAENPKLHD-NWDGAFQWSA-N 1 0 307.354 -1.244 20 30 DAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cc(C)ncn1 ZINC001283745571 780773324 /nfs/dbraw/zinc/77/33/24/780773324.db2.gz RMEUPODMBXIUGP-NSHDSACASA-N 1 0 307.354 -1.232 20 30 DAEDRO C=CCN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)Cn2ncnn2)C1=O ZINC001283756929 780773700 /nfs/dbraw/zinc/77/37/00/780773700.db2.gz OQDCBLAKDGRYKJ-MNOVXSKESA-N 1 0 323.357 -2.473 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ccnn1C(C)C ZINC001283760195 780774024 /nfs/dbraw/zinc/77/40/24/780774024.db2.gz UQXGZONBXJVXQY-GFCCVEGCSA-N 1 0 321.381 -1.106 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cn(C)nc1C ZINC001283746026 780774368 /nfs/dbraw/zinc/77/43/68/780774368.db2.gz LRSYBYBLMAHHSM-LLVKDONJSA-N 1 0 307.354 -1.842 20 30 DAEDRO C=CCN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)c2cncn2C)C1=O ZINC001283772511 780775131 /nfs/dbraw/zinc/77/51/31/780775131.db2.gz XXNQKGQBYCSQTM-NWDGAFQWSA-N 1 0 321.381 -1.113 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cnc2n1CCC2 ZINC001283763407 780775253 /nfs/dbraw/zinc/77/52/53/780775253.db2.gz HLGPOGHDGVWHET-NSHDSACASA-N 1 0 319.365 -1.741 20 30 DAEDRO C=CCN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)c2cncn2C)C1=O ZINC001283772515 780775409 /nfs/dbraw/zinc/77/54/09/780775409.db2.gz XXNQKGQBYCSQTM-VXGBXAGGSA-N 1 0 321.381 -1.113 20 30 DAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001283769807 780775689 /nfs/dbraw/zinc/77/56/89/780775689.db2.gz GJALTZYISUDPRL-STQMWFEESA-N 1 0 311.382 -1.429 20 30 DAEDRO Cc1ncc(C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N)n1C ZINC001283794969 780776235 /nfs/dbraw/zinc/77/62/35/780776235.db2.gz ACPDMTAHJCWXKA-SNVBAGLBSA-N 1 0 308.342 -1.951 20 30 DAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)c1csnn1 ZINC001283785993 780776480 /nfs/dbraw/zinc/77/64/80/780776480.db2.gz WDVRYNIOOKQRJD-IUCAKERBSA-N 1 0 313.383 -1.091 20 30 DAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1cc(=O)c(OC)co1 ZINC001283783658 780776533 /nfs/dbraw/zinc/77/65/33/780776533.db2.gz ZXAXRPLFSUSVRQ-LLVKDONJSA-N 1 0 324.333 -1.022 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001283793461 780776626 /nfs/dbraw/zinc/77/66/26/780776626.db2.gz VBXGTOHATDBTCR-NXEZZACHSA-N 1 0 311.342 -3.174 20 30 DAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)CN1CCCCS1(=O)=O ZINC001283781362 780776998 /nfs/dbraw/zinc/77/69/98/780776998.db2.gz DIVHHQLHWFEKGU-LBPRGKRZSA-N 1 0 317.411 -1.498 20 30 DAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC(=O)N1C ZINC001283797551 780778229 /nfs/dbraw/zinc/77/82/29/780778229.db2.gz QCCYIMUQEYROGP-WDEREUQCSA-N 1 0 312.370 -2.024 20 30 DAEDRO C=CCN1CC[C@H]([NH2+][C@H](CO)CNC(=O)c2ncccn2)C1=O ZINC001283816294 780779554 /nfs/dbraw/zinc/77/95/54/780779554.db2.gz OLQMTHIOWCFCLO-RYUDHWBXSA-N 1 0 319.365 -1.056 20 30 DAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)Cn1c(C)cc(C)nc1=O ZINC001283813997 780779606 /nfs/dbraw/zinc/77/96/06/780779606.db2.gz CZMBFUOUODNBGI-CYBMUJFWSA-N 1 0 306.366 -1.050 20 30 DAEDRO C[C@@]1(C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N)CCCOC1 ZINC001283817807 780779764 /nfs/dbraw/zinc/77/97/64/780779764.db2.gz ULPNIOQSLZTXGX-BXUZGUMPSA-N 1 0 312.370 -1.490 20 30 DAEDRO C#Cc1ccc(C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N)nc1 ZINC001283818566 780780150 /nfs/dbraw/zinc/78/01/50/780780150.db2.gz QVAKBTVKKIMRDJ-LBPRGKRZSA-N 1 0 315.333 -1.617 20 30 DAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)[C@H](NC(C)=O)C(C)C ZINC001283822369 780780205 /nfs/dbraw/zinc/78/02/05/780780205.db2.gz AHWWYGQGJJLBHG-UONOGXRCSA-N 1 0 313.398 -1.136 20 30 DAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)c1cccnn1 ZINC001283818506 780780985 /nfs/dbraw/zinc/78/09/85/780780985.db2.gz WLPXNCVRIAAWKP-WDEREUQCSA-N 1 0 307.354 -1.152 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)Cc1nc[nH]n1 ZINC001283817962 780781019 /nfs/dbraw/zinc/78/10/19/780781019.db2.gz ORMWLGNVUPSUJP-VHSXEESVSA-N 1 0 308.342 -2.448 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)Cc1nc[nH]n1 ZINC001283817964 780781237 /nfs/dbraw/zinc/78/12/37/780781237.db2.gz ORMWLGNVUPSUJP-ZJUUUORDSA-N 1 0 308.342 -2.448 20 30 DAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)CNC(=O)NCc1ccco1 ZINC001283830863 780781882 /nfs/dbraw/zinc/78/18/82/780781882.db2.gz HJVKRLVKJZUGSW-LLVKDONJSA-N 1 0 308.338 -1.221 20 30 DAEDRO CCn1nc(C)c(C(=O)NC[C@H](CO)[NH2+]CC#CCOC)n1 ZINC001283831955 780782122 /nfs/dbraw/zinc/78/21/22/780782122.db2.gz QBSGJEGBNKBRDB-GFCCVEGCSA-N 1 0 309.370 -1.063 20 30 DAEDRO C=CCN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)c2ccn(C)n2)C1=O ZINC001283827198 780782505 /nfs/dbraw/zinc/78/25/05/780782505.db2.gz IUHCZSLFNAJFGC-DGCLKSJQSA-N 1 0 321.381 -1.113 20 30 DAEDRO C#CC[NH2+][C@H](CO)CNC(=O)CN1CCS(=O)(=O)CC1 ZINC001283827092 780782727 /nfs/dbraw/zinc/78/27/27/780782727.db2.gz HHTUQCPQPFYBDN-NSHDSACASA-N 1 0 303.384 -2.583 20 30 DAEDRO C#CCNC(=O)CN[C@@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001283832828 780783981 /nfs/dbraw/zinc/78/39/81/780783981.db2.gz XTDSFMSITGWZIW-KGLIPLIRSA-N 1 0 324.425 -1.323 20 30 DAEDRO C[C@H]1[C@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)c1nccnc1N ZINC001283865572 780784853 /nfs/dbraw/zinc/78/48/53/780784853.db2.gz HWVHKDNDNLKBBZ-VHSXEESVSA-N 1 0 317.353 -1.109 20 30 DAEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)[C@@H]1C ZINC001283885733 780785539 /nfs/dbraw/zinc/78/55/39/780785539.db2.gz QWFXVXIUDHCYOZ-DGCLKSJQSA-N 1 0 308.382 -1.159 20 30 DAEDRO C[C@@H]1[C@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)Cn1cncn1 ZINC001283924620 780787928 /nfs/dbraw/zinc/78/79/28/780787928.db2.gz AAVONHMUGATFKL-GHMZBOCLSA-N 1 0 305.342 -1.503 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCNC(N)=O)[C@H]1C ZINC001283929084 780788595 /nfs/dbraw/zinc/78/85/95/780788595.db2.gz ZWYDIOJDKQZUHN-WDEREUQCSA-N 1 0 309.370 -1.627 20 30 DAEDRO C[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CN1C(=O)c1cnnn1C ZINC001283967084 780789547 /nfs/dbraw/zinc/78/95/47/780789547.db2.gz HWNXLSQLWSOZSH-VHSXEESVSA-N 1 0 305.342 -1.353 20 30 DAEDRO C#CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CNS(=O)(=O)NC)C1 ZINC001284000456 780791113 /nfs/dbraw/zinc/79/11/13/780791113.db2.gz NIDNFRROVKVIEN-WDEREUQCSA-N 1 0 302.400 -1.358 20 30 DAEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)CNC(=O)CC(N)=O)CC1 ZINC001284215641 780798939 /nfs/dbraw/zinc/79/89/39/780798939.db2.gz JZKRWVHSNFJCCD-NSHDSACASA-N 1 0 308.382 -1.172 20 30 DAEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C1CC1 ZINC001284374151 780810258 /nfs/dbraw/zinc/81/02/58/780810258.db2.gz PGXUJBSBOTXCSK-LLVKDONJSA-N 1 0 312.370 -1.183 20 30 DAEDRO COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)CNC(=O)OC ZINC001284388398 780810783 /nfs/dbraw/zinc/81/07/83/780810783.db2.gz PAEJDGBUMOFYOS-NSHDSACASA-N 1 0 301.343 -1.599 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001284380356 780810694 /nfs/dbraw/zinc/81/06/94/780810694.db2.gz LPVMZYBNHLJECH-QWRGUYRKSA-N 1 0 323.357 -2.780 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001284380355 780811595 /nfs/dbraw/zinc/81/15/95/780811595.db2.gz LPVMZYBNHLJECH-MNOVXSKESA-N 1 0 323.357 -2.780 20 30 DAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1COC(=O)N1 ZINC001284400428 780813078 /nfs/dbraw/zinc/81/30/78/780813078.db2.gz LCKUZWARTLDZDX-VHSXEESVSA-N 1 0 314.342 -2.194 20 30 DAEDRO Cc1[nH]nc(C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NCC#N)c1C ZINC001284405343 780813536 /nfs/dbraw/zinc/81/35/36/780813536.db2.gz TYPZBWPGNHFRDC-LLVKDONJSA-N 1 0 322.369 -1.311 20 30 DAEDRO C[C@H](C#N)C(=O)N(C)C[C@@H](O)C[NH2+]CCNS(C)(=O)=O ZINC001284405854 780813655 /nfs/dbraw/zinc/81/36/55/780813655.db2.gz YSSNQPWKXMJVBA-ZJUUUORDSA-N 1 0 306.388 -1.896 20 30 DAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1nnn(C)c1C ZINC001284399923 780813856 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CC#CC[NH2+]C[C@H](O)CN(C)C(=O)CCn1cc[nH]c(=O)c1=O ZINC001284460032 780819076 /nfs/dbraw/zinc/81/90/76/780819076.db2.gz OUQNTPRXFQVENP-LBPRGKRZSA-N 1 0 322.365 -1.641 20 30 DAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)c1cnon1 ZINC001284460023 780819187 /nfs/dbraw/zinc/81/91/87/780819187.db2.gz OSRMLDNPZCJMNZ-NXEZZACHSA-N 1 0 311.342 -1.217 20 30 DAEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)c1cnon1 ZINC001284460025 780819421 /nfs/dbraw/zinc/81/94/21/780819421.db2.gz OSRMLDNPZCJMNZ-VHSXEESVSA-N 1 0 311.342 -1.217 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1ncc[nH]1 ZINC001284460743 780819701 /nfs/dbraw/zinc/81/97/01/780819701.db2.gz USQSGDLVQADNSV-NSHDSACASA-N 1 0 307.354 -1.890 20 30 DAEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001284477249 780820060 /nfs/dbraw/zinc/82/00/60/780820060.db2.gz NURBOFFAVQDZIN-LLVKDONJSA-N 1 0 324.385 -1.425 20 30 DAEDRO C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1ncn(C)c1=O ZINC001284501203 780821097 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C#CCNC(=O)CN1CC=C(CNC(=O)c2cn(C)nn2)CC1 ZINC001284908514 780845875 /nfs/dbraw/zinc/84/58/75/780845875.db2.gz FOFQQSWIPTUNMH-UHFFFAOYSA-N 1 0 316.365 -1.074 20 30 DAEDRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)CSCC#N ZINC001285425094 780868796 /nfs/dbraw/zinc/86/87/96/780868796.db2.gz SXDNUHXZPJLBDG-WDEREUQCSA-N 1 0 314.411 -1.069 20 30 DAEDRO C#CCOCCC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001287780898 780927229 /nfs/dbraw/zinc/92/72/29/780927229.db2.gz XDIXVUGMKKNVPN-QWHCGFSZSA-N 1 0 311.382 -1.286 20 30 DAEDRO C=CCC[N@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](O)C1 ZINC001090833368 781352006 /nfs/dbraw/zinc/35/20/06/781352006.db2.gz LPCUJVUCUUSMPQ-ZYHUDNBSSA-N 1 0 322.369 -1.496 20 30 DAEDRO C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(CC(N)=O)C[C@@H]2O)CC1 ZINC001090829871 781352029 /nfs/dbraw/zinc/35/20/29/781352029.db2.gz HAVNJONLPPBDOP-KBPBESRZSA-N 1 0 322.409 -1.632 20 30 DAEDRO C=CC[N@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](O)C1 ZINC001090830382 781352958 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-1.034 20 30 DAEDRO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC(N)=O)C1 ZINC001111681421 781405862 /nfs/dbraw/zinc/40/58/62/781405862.db2.gz PTOXPDSKUAUFLP-MKBNYLNASA-N 1 0 320.393 -1.030 20 30 DAEDRO C#CCNC(=O)C[NH2+]C1CC(CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001100272692 781409342 /nfs/dbraw/zinc/40/93/42/781409342.db2.gz LPOJHXSWPQTQHM-UHFFFAOYSA-N 1 0 320.393 -1.302 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)COCc1ncnn1C ZINC001146215527 781411674 /nfs/dbraw/zinc/41/16/74/781411674.db2.gz KPZFHVFXABKBDK-LLVKDONJSA-N 1 0 322.369 -1.825 20 30 DAEDRO C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CNC(=O)Cn1cncn1 ZINC001146585507 781415732 /nfs/dbraw/zinc/41/57/32/781415732.db2.gz ZDFKTXWOGBYWKC-VXGBXAGGSA-N 1 0 306.370 -1.100 20 30 DAEDRO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CNC(=O)Cn1cncn1 ZINC001146585506 781415898 /nfs/dbraw/zinc/41/58/98/781415898.db2.gz ZDFKTXWOGBYWKC-RYUDHWBXSA-N 1 0 306.370 -1.100 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccc(OC)nn1 ZINC001146678245 781418605 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C=CCCC[NH2+]CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001147056070 781430717 /nfs/dbraw/zinc/43/07/17/781430717.db2.gz KMZKYHOZGWLBNX-NSHDSACASA-N 1 0 309.374 -1.150 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C(=O)N1CC[C@H](C)C1 ZINC001147195174 781435589 /nfs/dbraw/zinc/43/55/89/781435589.db2.gz FNFMYVFNINNJSL-RYUDHWBXSA-N 1 0 308.382 -1.302 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)CC(N)=O)C2)C1 ZINC001147274898 781437648 /nfs/dbraw/zinc/43/76/48/781437648.db2.gz XDKARIGUBOTAOC-LLVKDONJSA-N 1 0 306.366 -1.466 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1(C(=O)N(C)C)CC1 ZINC001147314093 781439094 /nfs/dbraw/zinc/43/90/94/781439094.db2.gz OLNRNNLPMLAZGP-LLVKDONJSA-N 1 0 308.382 -1.302 20 30 DAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1nc[nH]n1 ZINC001147283008 781439111 /nfs/dbraw/zinc/43/91/11/781439111.db2.gz JWHGMSSRMFBZDV-SECBINFHSA-N 1 0 323.357 -1.547 20 30 DAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001147360020 781439400 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308.382 -1.043 20 30 DAEDRO Cn1c(=O)cccc1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001185575976 781760518 /nfs/dbraw/zinc/76/05/18/781760518.db2.gz GPAUXLUUWRMEEO-LLVKDONJSA-N 1 0 317.349 -1.171 20 30 DAEDRO C[C@@]1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)CCC(=O)N1 ZINC001185487092 781760971 /nfs/dbraw/zinc/76/09/71/781760971.db2.gz SEDFYKYEXRVCNE-YGRLFVJLSA-N 1 0 307.354 -1.515 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001185478731 781761272 /nfs/dbraw/zinc/76/12/72/781761272.db2.gz QCDDTMFCVXFOAY-OZVIIMIRSA-N 1 0 320.393 -1.017 20 30 DAEDRO C[C@@]1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)CCNC1=O ZINC001185632628 781762325 /nfs/dbraw/zinc/76/23/25/781762325.db2.gz CDRBYERTLPOKSI-QMTHXVAHSA-N 1 0 307.354 -1.657 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@]2(C)CCNC2=O)C1 ZINC001185633095 781762734 /nfs/dbraw/zinc/76/27/34/781762734.db2.gz KIXPRKZIOGSPPE-ABAIWWIYSA-N 1 0 306.366 -1.548 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001185599548 781762961 /nfs/dbraw/zinc/76/29/61/781762961.db2.gz AGIWJSOFXXAXBL-CHWSQXEVSA-N 1 0 320.393 -1.015 20 30 DAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001185689636 781763936 /nfs/dbraw/zinc/76/39/36/781763936.db2.gz HKNCZDHPQSYBBT-SECBINFHSA-N 1 0 318.337 -1.443 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](CC)N1CCCC1=O ZINC001151529927 781768269 /nfs/dbraw/zinc/76/82/69/781768269.db2.gz NTXAOJCLTJJMLG-LBPRGKRZSA-N 1 0 308.382 -1.157 20 30 DAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001185940893 781768308 /nfs/dbraw/zinc/76/83/08/781768308.db2.gz NYGJNEMKAWVGLH-BDAKNGLRSA-N 1 0 322.325 -2.585 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001186304647 781776493 /nfs/dbraw/zinc/77/64/93/781776493.db2.gz QAMYFEGAJQEWPQ-LLVKDONJSA-N 1 0 320.349 -2.021 20 30 DAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001186258330 781776690 /nfs/dbraw/zinc/77/66/90/781776690.db2.gz 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DAEDRO C#CCNC(=O)C[NH2+][C@H](CNC(=O)Cc1nc[nH]n1)C(C)C ZINC001319956012 916458404 /nfs/dbraw/zinc/45/84/04/916458404.db2.gz HYOQPQIICUMHMN-LLVKDONJSA-N 1 0 306.370 -1.173 20 30 DAEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cnn(C)c1 ZINC001320189307 916471459 /nfs/dbraw/zinc/47/14/59/916471459.db2.gz VISGWXJSZAJICT-CMPLNLGQSA-N 1 0 309.370 -1.209 20 30 DAEDRO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N)n1cccn1 ZINC001320199061 916473951 /nfs/dbraw/zinc/47/39/51/916473951.db2.gz IHSHJQHZZCWSBF-QWRGUYRKSA-N 1 0 308.342 -1.849 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)CN(C)C(C)=O ZINC001320198207 916474232 /nfs/dbraw/zinc/47/42/32/916474232.db2.gz AQRKBFFAWVWNIV-ZYHUDNBSSA-N 1 0 312.370 -2.331 20 30 DAEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1nnn(C)c1C ZINC001320200893 916474659 /nfs/dbraw/zinc/47/46/59/916474659.db2.gz IPWXIDGEFJAMLO-GXSJLCMTSA-N 1 0 324.385 -1.505 20 30 DAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cc[n+]([O-])cc1 ZINC001320189924 916474754 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C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1ccc(C)o1 ZINC001320217617 916481160 /nfs/dbraw/zinc/48/11/60/916481160.db2.gz QCGVSDXXWPNPJN-LBPRGKRZSA-N 1 0 307.350 -1.053 20 30 DAEDRO C#CCN1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cnnn1C ZINC001320234752 916482602 /nfs/dbraw/zinc/48/26/02/916482602.db2.gz MTLNXEDSOUWIOA-KGLIPLIRSA-N 1 0 320.397 -1.521 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)S(C)(=O)=O ZINC001320239568 916482697 /nfs/dbraw/zinc/48/26/97/916482697.db2.gz XTCNBOODUZSGCF-NXEZZACHSA-N 1 0 319.383 -2.764 20 30 DAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)C(=O)NCC(F)F ZINC001320243298 916483651 /nfs/dbraw/zinc/48/36/51/916483651.db2.gz SGDPWWVPDBXWQM-SECBINFHSA-N 1 0 307.297 -1.916 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001320242126 916484596 /nfs/dbraw/zinc/48/45/96/916484596.db2.gz KWQCAVNTDWQAKY-VXGBXAGGSA-N 1 0 324.381 -2.329 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)S(C)(=O)=O ZINC001320239572 916484850 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782218611 /nfs/dbraw/zinc/21/86/11/782218611.db2.gz FAKGQEWDXLBIDQ-NEPJUHHUSA-N 1 0 322.365 -1.185 20 30 DAEDRO C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CCCO1 ZINC001201507648 782219119 /nfs/dbraw/zinc/21/91/19/782219119.db2.gz XUCMBCZMASXEOZ-QWRGUYRKSA-N 1 0 310.354 -1.022 20 30 DAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)[C@H](C)NS(C)(=O)=O)CCCO1 ZINC001201506188 782219428 /nfs/dbraw/zinc/21/94/28/782219428.db2.gz HBECJIPKSKYRNH-RYUDHWBXSA-N 1 0 317.411 -1.236 20 30 DAEDRO C=CCn1cc(C(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)nn1 ZINC001201584944 782219683 /nfs/dbraw/zinc/21/96/83/782219683.db2.gz KJDFXODPASIMCC-LLVKDONJSA-N 1 0 322.369 -1.230 20 30 DAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)CN2CC(=O)NC2=O)CCCO1 ZINC001201649765 782220209 /nfs/dbraw/zinc/22/02/09/782220209.db2.gz SFUFNMHTAWAXKZ-NSHDSACASA-N 1 0 308.338 -1.622 20 30 DAEDRO COCC#CC[NH2+]C1CCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC001201941483 782224482 /nfs/dbraw/zinc/22/44/82/782224482.db2.gz PJCQTJYLMILTFZ-UHFFFAOYSA-N 1 0 322.409 -1.351 20 30 DAEDRO N#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC001201967372 782225439 /nfs/dbraw/zinc/22/54/39/782225439.db2.gz UAUBUHHDJDGTTC-LLVKDONJSA-N 1 0 307.354 -1.657 20 30 DAEDRO C[C@H](CC(N)=O)C(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001201960291 782225850 /nfs/dbraw/zinc/22/58/50/782225850.db2.gz YORBQBWOZBZYLW-SNVBAGLBSA-N 1 0 309.370 -1.282 20 30 DAEDRO C=CCn1cc(C(=O)N2CCC[C@](CO)([NH2+]CC(N)=O)C2)nn1 ZINC001273920393 782225914 /nfs/dbraw/zinc/22/59/14/782225914.db2.gz SCRUPETXHRUAMU-AWEZNQCLSA-N 1 0 322.369 -1.494 20 30 DAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)CCCO1 ZINC001201982900 782225956 /nfs/dbraw/zinc/22/59/56/782225956.db2.gz KBOAQCCPZRNZHX-CYBMUJFWSA-N 1 0 321.381 -1.269 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC001201966919 782225988 /nfs/dbraw/zinc/22/59/88/782225988.db2.gz NUSODLQFABQFDR-WCQYABFASA-N 1 0 320.393 -1.159 20 30 DAEDRO N#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H]2C(N)=O)CC1 ZINC001201958471 782226029 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C=CCOCC[NH2+]CCCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001167552887 775203859 /nfs/dbraw/zinc/20/38/59/775203859.db2.gz TYOBQHFMRNRUPO-UHFFFAOYSA-N 1 0 324.381 -1.004 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CN(C)CCO1 ZINC001267124580 775206601 /nfs/dbraw/zinc/20/66/01/775206601.db2.gz BJIQBIUIVFIJFO-QWHCGFSZSA-N 1 0 310.398 -1.449 20 30 DAEDRO CNS(=O)(=O)CC(=O)NCC[C@H](C)[NH2+]CC#CCOC ZINC001267155692 775207512 /nfs/dbraw/zinc/20/75/12/775207512.db2.gz UGSOXNSZLVHDEY-NSHDSACASA-N 1 0 305.400 -1.330 20 30 DAEDRO COCC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001267145332 775208227 /nfs/dbraw/zinc/20/82/27/775208227.db2.gz CNZIHXGTKOMXHK-QWRGUYRKSA-N 1 0 310.354 -1.281 20 30 DAEDRO CNS(=O)(=O)CC(=O)NCC[C@@H](C)[NH2+]CC#CCOC ZINC001267155690 775208670 /nfs/dbraw/zinc/20/86/70/775208670.db2.gz UGSOXNSZLVHDEY-LLVKDONJSA-N 1 0 305.400 -1.330 20 30 DAEDRO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)CC(N)=O ZINC001267163578 775208698 /nfs/dbraw/zinc/20/86/98/775208698.db2.gz WLZGGTKTDKBSSD-LBPRGKRZSA-N 1 0 308.382 -1.028 20 30 DAEDRO C#CCNC(=O)[C@H](C)N(C)CCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001267215663 775215277 /nfs/dbraw/zinc/21/52/77/775215277.db2.gz OGWUUZWAAQBNIK-JTQLQIEISA-N 1 0 307.354 -1.075 20 30 DAEDRO C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnc[nH]1 ZINC001114992541 775221146 /nfs/dbraw/zinc/22/11/46/775221146.db2.gz WUGRRVIZMSUJSV-ZNSHCXBVSA-N 1 0 302.338 -1.397 20 30 DAEDRO CC#CC[N@@H+]1CC[C@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001267295517 775223512 /nfs/dbraw/zinc/22/35/12/775223512.db2.gz XXKLGHVCCBVIJM-LLVKDONJSA-N 1 0 304.354 -1.162 20 30 DAEDRO CC(=O)N(C)CC(=O)NC[C@H]1CCN(CC(=O)NCC#N)C1 ZINC001267290145 775224652 /nfs/dbraw/zinc/22/46/52/775224652.db2.gz WSXUKAVBALFRBP-GFCCVEGCSA-N 1 0 309.370 -1.457 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)CCNC(N)=O)C1 ZINC001267306118 775225938 /nfs/dbraw/zinc/22/59/38/775225938.db2.gz RJOONCRFULFAED-VXGBXAGGSA-N 1 0 323.397 -1.379 20 30 DAEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](CNC(=O)CCNC(N)=O)C1 ZINC001267306114 775226233 /nfs/dbraw/zinc/22/62/33/775226233.db2.gz RJOONCRFULFAED-NWDGAFQWSA-N 1 0 323.397 -1.379 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)CCNC(N)=O)C1 ZINC001267306112 775226572 /nfs/dbraw/zinc/22/65/72/775226572.db2.gz RJOONCRFULFAED-NEPJUHHUSA-N 1 0 323.397 -1.379 20 30 DAEDRO C=CCNC(=O)CN(CCNC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001267325423 775227922 /nfs/dbraw/zinc/22/79/22/775227922.db2.gz GPLBVNXNZQQEJC-LLVKDONJSA-N 1 0 310.354 -1.022 20 30 DAEDRO C#CCNC(=O)CN(CCNC(=O)[C@H](C)NC(N)=O)C1CC1 ZINC001267327024 775227976 /nfs/dbraw/zinc/22/79/76/775227976.db2.gz XWHCMUVMSLNKDE-JTQLQIEISA-N 1 0 309.370 -1.627 20 30 DAEDRO C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)CS(C)(=O)=O)C1=O ZINC001267352570 775231210 /nfs/dbraw/zinc/23/12/10/775231210.db2.gz VUBLTPVCRSBDKV-LLVKDONJSA-N 1 0 317.411 -1.134 20 30 DAEDRO C[C@H](C#N)C(=O)N(C)CC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001267354926 775231399 /nfs/dbraw/zinc/23/13/99/775231399.db2.gz CNRHVMWUXFRABF-VXGBXAGGSA-N 1 0 323.397 -1.082 20 30 DAEDRO C#CCN1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001267386537 775235421 /nfs/dbraw/zinc/23/54/21/775235421.db2.gz LINAHHLQPPSMKQ-NEPJUHHUSA-N 1 0 323.397 -1.285 20 30 DAEDRO CC(=O)N1CCC[C@H](C(=O)N(C)CC[NH2+]CC(=O)NCC#N)C1 ZINC001267398737 775237693 /nfs/dbraw/zinc/23/76/93/775237693.db2.gz WTWKFFHFCAUISR-ZDUSSCGKSA-N 1 0 323.397 -1.067 20 30 DAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001267440272 775241078 /nfs/dbraw/zinc/24/10/78/775241078.db2.gz NNMZAPVEHYBEJB-JTQLQIEISA-N 1 0 324.381 -1.222 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)c1cc(C(N)=O)c[nH]1 ZINC001267447423 775241331 /nfs/dbraw/zinc/24/13/31/775241331.db2.gz REISMDTZZTVLGS-UHFFFAOYSA-N 1 0 305.338 -1.475 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(N)=O)C2 ZINC001112520150 775242845 /nfs/dbraw/zinc/24/28/45/775242845.db2.gz QSEOHNXIKDWSFF-NHYWBVRUSA-N 1 0 306.366 -1.561 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(N)=O)C2 ZINC001112521087 775243303 /nfs/dbraw/zinc/24/33/03/775243303.db2.gz MULFDCBPFWIPJD-MKBNYLNASA-N 1 0 320.393 -1.172 20 30 DAEDRO CCS(=O)(=O)CC(=O)N(C)CC[NH2+]CC(=O)NCC#N ZINC001267473192 775244365 /nfs/dbraw/zinc/24/43/65/775244365.db2.gz CICPHDAJWNPWLI-UHFFFAOYSA-N 1 0 304.372 -1.891 20 30 DAEDRO C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001267469808 775245016 /nfs/dbraw/zinc/24/50/16/775245016.db2.gz BLEWQFKURPCWBX-SNVBAGLBSA-N 1 0 318.399 -1.972 20 30 DAEDRO C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(N)=O)C2 ZINC001112521823 775245067 /nfs/dbraw/zinc/24/50/67/775245067.db2.gz PTRMWKVMPXIATP-NHYWBVRUSA-N 1 0 308.382 -1.008 20 30 DAEDRO C#CC[N@H+]1CC[C@H](N(CCC)C(=O)CNS(=O)(=O)NC)C1 ZINC001267544743 775249321 /nfs/dbraw/zinc/24/93/21/775249321.db2.gz TXPUUARODXBTGS-LBPRGKRZSA-N 1 0 316.427 -1.014 20 30 DAEDRO Cn1ccc(C(=O)N(CCO)CC[NH2+]CC(=O)NCC#N)c1 ZINC001279687249 775249434 /nfs/dbraw/zinc/24/94/34/775249434.db2.gz PYLDENIEFQTJMK-UHFFFAOYSA-N 1 0 307.354 -1.311 20 30 DAEDRO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001267570211 775251043 /nfs/dbraw/zinc/25/10/43/775251043.db2.gz KMZYESSQRGAUTJ-NWDGAFQWSA-N 1 0 321.381 -1.755 20 30 DAEDRO N#CCNC(=O)C[NH2+]CC1(CCNC(=O)Cc2nc[nH]n2)CC1 ZINC001167694460 775251103 /nfs/dbraw/zinc/25/11/03/775251103.db2.gz MAKMGQXCOLTGOX-UHFFFAOYSA-N 1 0 319.369 -1.137 20 30 DAEDRO Cn1cc(C(=O)N2CC[C@@H](C[N@H+](C)CC(=O)NCC#N)C2)nn1 ZINC001267580674 775253395 /nfs/dbraw/zinc/25/33/95/775253395.db2.gz ATUVOANCKXYKRD-NSHDSACASA-N 1 0 319.369 -1.151 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001104616964 775255675 /nfs/dbraw/zinc/25/56/75/775255675.db2.gz JSERBHNPUAQHRU-IJLUTSLNSA-N 1 0 308.382 -1.316 20 30 DAEDRO C=CC[NH+]1CCN(CCN(C)C(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001267607361 775255813 /nfs/dbraw/zinc/25/58/13/775255813.db2.gz GKJCCZUCESVUFA-LBPRGKRZSA-N 1 0 323.397 -1.154 20 30 DAEDRO C#CCC[NH+]1CCN(CCN(C)C(=O)c2nnn(C)n2)CC1 ZINC001267608901 775256556 /nfs/dbraw/zinc/25/65/56/775256556.db2.gz GWUMAISNSMBSFQ-UHFFFAOYSA-N 1 0 305.386 -1.077 20 30 DAEDRO N#CCNC(=O)CN1CCC[C@@H](NC(=O)CCn2cnnn2)C1 ZINC001267619256 775258341 /nfs/dbraw/zinc/25/83/41/775258341.db2.gz DOXGSVVVRYIQMA-LLVKDONJSA-N 1 0 320.357 -1.716 20 30 DAEDRO C#CCNC(=O)CN1CCC[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001267629616 775259437 /nfs/dbraw/zinc/25/94/37/775259437.db2.gz BTAJMLGNZLPYOO-NSHDSACASA-N 1 0 306.366 -1.418 20 30 DAEDRO C=CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001267653491 775262255 /nfs/dbraw/zinc/26/22/55/775262255.db2.gz UXNGCQPCWCHSHW-LBPRGKRZSA-N 1 0 321.385 -1.244 20 30 DAEDRO C#CC[N@@H+](C)C[C@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001267665352 775263582 /nfs/dbraw/zinc/26/35/82/775263582.db2.gz GONNGRWRHFJRGP-LLVKDONJSA-N 1 0 302.400 -1.546 20 30 DAEDRO C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001267665354 775263640 /nfs/dbraw/zinc/26/36/40/775263640.db2.gz GONNGRWRHFJRGP-NSHDSACASA-N 1 0 302.400 -1.546 20 30 DAEDRO C[N@@H+](CC(=O)NCC#N)C[C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001267702948 775268527 /nfs/dbraw/zinc/26/85/27/775268527.db2.gz KJPLUMBZXOIBEE-LBPRGKRZSA-N 1 0 319.369 -1.302 20 30 DAEDRO CCNC(=O)NC(=O)C[NH2+][C@H](CO)CNC(=O)C#CC(C)C ZINC001283754512 775269183 /nfs/dbraw/zinc/26/91/83/775269183.db2.gz BWKCUJHWRWOJOA-NSHDSACASA-N 1 0 312.370 -1.442 20 30 DAEDRO C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001267708005 775269362 /nfs/dbraw/zinc/26/93/62/775269362.db2.gz IPDKAFZBGCRMCR-NSHDSACASA-N 1 0 304.354 -1.210 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)CN1CCCC1=O ZINC001267795369 775280628 /nfs/dbraw/zinc/28/06/28/775280628.db2.gz CWVNNIVSQBUCNU-GFCCVEGCSA-N 1 0 308.382 -1.157 20 30 DAEDRO C#CCNC(=O)C[NH2+]C1CC(CNC(=O)C(=O)NCC2CC2)C1 ZINC001100800809 775281037 /nfs/dbraw/zinc/28/10/37/775281037.db2.gz HHVDKNQNPMXZOO-UHFFFAOYSA-N 1 0 320.393 -1.254 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@]1(C)CCNC1=O ZINC001267821057 775282434 /nfs/dbraw/zinc/28/24/34/775282434.db2.gz XUPCRPNBHUPKHK-NHYWBVRUSA-N 1 0 308.382 -1.254 20 30 DAEDRO CC[C@H](CNC(=O)[C@@H]1CCN(C)C1=O)[NH2+]CC(=O)NCC#N ZINC001267816809 775282484 /nfs/dbraw/zinc/28/24/84/775282484.db2.gz ZCFDQGZLKIWIIS-MNOVXSKESA-N 1 0 309.370 -1.411 20 30 DAEDRO CC[C@@H](CNC(=O)[C@@]1(C)CCNC1=O)[NH2+]CC(=O)NCC#N ZINC001267821066 775282566 /nfs/dbraw/zinc/28/25/66/775282566.db2.gz XXJWWDRIPWGMKO-HZMBPMFUSA-N 1 0 309.370 -1.363 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCN(C)C1=O ZINC001267813600 775282642 /nfs/dbraw/zinc/28/26/42/775282642.db2.gz AEXQMLVGBIGQHU-VXGBXAGGSA-N 1 0 308.382 -1.302 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCN(C)C1=O ZINC001267813597 775282832 /nfs/dbraw/zinc/28/28/32/775282832.db2.gz AEXQMLVGBIGQHU-NEPJUHHUSA-N 1 0 308.382 -1.302 20 30 DAEDRO CC[C@H](CNC(=O)[C@]1(C)CCNC1=O)[NH2+]CC(=O)NCC#N ZINC001267821071 775283827 /nfs/dbraw/zinc/28/38/27/775283827.db2.gz XXJWWDRIPWGMKO-QMTHXVAHSA-N 1 0 309.370 -1.363 20 30 DAEDRO C#CCNC(=O)C[NH2+]CC1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCCC1 ZINC001267840631 775284088 /nfs/dbraw/zinc/28/40/88/775284088.db2.gz DESCJINFUQTAPY-NEPJUHHUSA-N 1 0 320.393 -1.124 20 30 DAEDRO CNC(=O)NCC(=O)N[C@](C)(C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001267853584 775286530 /nfs/dbraw/zinc/28/65/30/775286530.db2.gz PZOUBOVDPZEXHW-CQSZACIVSA-N 1 0 324.385 -1.570 20 30 DAEDRO Cn1cc(C(=O)N[C@](C)(C[NH2+]CC(=O)NCC#N)C2CC2)nn1 ZINC001267853945 775286716 /nfs/dbraw/zinc/28/67/16/775286716.db2.gz MVFDFGBRWZHQHY-CQSZACIVSA-N 1 0 319.369 -1.057 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCC1CCN(C(=O)C(N)=O)CC1 ZINC001267913676 775292467 /nfs/dbraw/zinc/29/24/67/775292467.db2.gz WZNPGGYWZJPKRQ-NSHDSACASA-N 1 0 308.382 -1.172 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)C(N)=O ZINC001267958244 775299848 /nfs/dbraw/zinc/29/98/48/775299848.db2.gz XLZLGCQALCIGSC-LLVKDONJSA-N 1 0 308.382 -1.172 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CNC(=O)C1CC1 ZINC001267951458 775300057 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C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)CN1CCCC1=O ZINC001267977549 775308526 /nfs/dbraw/zinc/30/85/26/775308526.db2.gz OHDSYZOCEQUANZ-LBPRGKRZSA-N 1 0 308.382 -1.300 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)c1nnn(C)c1C ZINC001267986051 775310067 /nfs/dbraw/zinc/31/00/67/775310067.db2.gz YGPFUMHZKOCUCH-SNVBAGLBSA-N 1 0 306.370 -1.172 20 30 DAEDRO COCC#CC[NH2+]C[C@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001267987184 775310647 /nfs/dbraw/zinc/31/06/47/775310647.db2.gz RZDGJLPAFDLPQL-NSHDSACASA-N 1 0 322.369 -1.631 20 30 DAEDRO C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)C[NH2+]CC(=O)NCC#N ZINC001267987448 775311788 /nfs/dbraw/zinc/31/17/88/775311788.db2.gz CHVSFQJVHLPNFY-GHMZBOCLSA-N 1 0 309.370 -1.554 20 30 DAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2COCCN2C)C1=O ZINC001125960637 775313122 /nfs/dbraw/zinc/31/31/22/775313122.db2.gz MRHYVKSAGLMPQF-QWHCGFSZSA-N 1 0 310.398 -1.190 20 30 DAEDRO C[C@H](CNC(=O)c1ccc(=O)n(C)n1)C[NH2+]CC(=O)NCC#N ZINC001268012412 775314519 /nfs/dbraw/zinc/31/45/19/775314519.db2.gz 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776730589 /nfs/dbraw/zinc/73/05/89/776730589.db2.gz XFPYRJGGHSBUKF-UHFFFAOYSA-N 1 0 305.400 -1.330 20 30 DAEDRO C=CCn1cc(C(=O)NCC[NH2+]CC(=O)NC(=O)NC)nn1 ZINC001134969815 776730700 /nfs/dbraw/zinc/73/07/00/776730700.db2.gz KTOWJRDZKZITDH-UHFFFAOYSA-N 1 0 309.330 -1.761 20 30 DAEDRO C=CCn1cc(C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)nn1 ZINC001134973552 776730851 /nfs/dbraw/zinc/73/08/51/776730851.db2.gz WWACSULMVGEQKG-QMMMGPOBSA-N 1 0 309.330 -1.633 20 30 DAEDRO C=CCn1cc(C(=O)NCC[NH2+]CCN2C(=O)CCC2=O)nn1 ZINC001134973135 776731493 /nfs/dbraw/zinc/73/14/93/776731493.db2.gz FEAFGRMSWUSBEC-UHFFFAOYSA-N 1 0 320.353 -1.068 20 30 DAEDRO C=CCn1cc(C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC)nn1 ZINC001134973368 776731524 /nfs/dbraw/zinc/73/15/24/776731524.db2.gz OKXDDOSNKAKPKS-VIFPVBQESA-N 1 0 323.357 -1.372 20 30 DAEDRO C=CCn1cc(C(=O)NCC[NH2+]CC(=O)N2CCOCC2)nn1 ZINC001134970369 776731746 /nfs/dbraw/zinc/73/17/46/776731746.db2.gz URNKPARNBMKRQE-UHFFFAOYSA-N 1 0 322.369 -1.358 20 30 DAEDRO C#CCC[NH2+]CCCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001170784720 776732439 /nfs/dbraw/zinc/73/24/39/776732439.db2.gz JXYFPKMNSACXCU-LLVKDONJSA-N 1 0 307.358 -1.703 20 30 DAEDRO COCC#CC[NH2+]CCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001135111443 776735706 /nfs/dbraw/zinc/73/57/06/776735706.db2.gz YVNIYVJOMBJKEH-UHFFFAOYSA-N 1 0 322.369 -1.466 20 30 DAEDRO C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)NC ZINC001135119773 776737103 /nfs/dbraw/zinc/73/71/03/776737103.db2.gz PUSRXCLRFQUALX-WDEREUQCSA-N 1 0 304.416 -1.064 20 30 DAEDRO C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)NC ZINC001135119770 776737236 /nfs/dbraw/zinc/73/72/36/776737236.db2.gz PUSRXCLRFQUALX-GHMZBOCLSA-N 1 0 304.416 -1.064 20 30 DAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001135126580 776737367 /nfs/dbraw/zinc/73/73/67/776737367.db2.gz SSZMVOUFPSHTGT-JTQLQIEISA-N 1 0 318.399 -1.972 20 30 DAEDRO C[C@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)Cn1ncnn1 ZINC001170797275 776737377 /nfs/dbraw/zinc/73/73/77/776737377.db2.gz YEFKWBPRSFBZQO-LLVKDONJSA-N 1 0 322.373 -1.423 20 30 DAEDRO COCC#CC[NH2+]CCNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001135130205 776737743 /nfs/dbraw/zinc/73/77/43/776737743.db2.gz ZFNCVVVAIXZAAB-LLVKDONJSA-N 1 0 303.384 -1.624 20 30 DAEDRO COCC#CC[NH2+]CCNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001135158212 776739296 /nfs/dbraw/zinc/73/92/96/776739296.db2.gz DFWAGXJIXWSKEL-UHFFFAOYSA-N 1 0 308.338 -1.670 20 30 DAEDRO COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001135177045 776741268 /nfs/dbraw/zinc/74/12/68/776741268.db2.gz ZMFVHXSJRWPGEK-ZIAGYGMSSA-N 1 0 324.425 -1.059 20 30 DAEDRO COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001135177042 776741559 /nfs/dbraw/zinc/74/15/59/776741559.db2.gz ZMFVHXSJRWPGEK-KBPBESRZSA-N 1 0 324.425 -1.059 20 30 DAEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1nnn(C)n1 ZINC001135214295 776742328 /nfs/dbraw/zinc/74/23/28/776742328.db2.gz IUEWYVXCIFUDFV-DTWKUNHWSA-N 1 0 308.346 -1.664 20 30 DAEDRO C[C@H](C[C@H](C)NC(=O)c1nnn(C)n1)[NH2+]CC(=O)NCC#N ZINC001135214294 776742497 /nfs/dbraw/zinc/74/24/97/776742497.db2.gz IUEWYVXCIFUDFV-BDAKNGLRSA-N 1 0 308.346 -1.664 20 30 DAEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1nnn(C)n1 ZINC001135214296 776743315 /nfs/dbraw/zinc/74/33/15/776743315.db2.gz IUEWYVXCIFUDFV-IUCAKERBSA-N 1 0 308.346 -1.664 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001135214594 776744476 /nfs/dbraw/zinc/74/44/76/776744476.db2.gz NUKWTAUTBCEMBP-NXEZZACHSA-N 1 0 307.358 -1.554 20 30 DAEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001135214332 776744675 /nfs/dbraw/zinc/74/46/75/776744675.db2.gz JJCZYTKQZLNFPR-VHSXEESVSA-N 1 0 309.374 -1.001 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1nnn(C)n1 ZINC001135214597 776744756 /nfs/dbraw/zinc/74/47/56/776744756.db2.gz NUKWTAUTBCEMBP-ZJUUUORDSA-N 1 0 307.358 -1.554 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1CC(=O)NC(=O)C1 ZINC001135276537 776746686 /nfs/dbraw/zinc/74/66/86/776746686.db2.gz CRXBAUDPDXHENX-SECBINFHSA-N 1 0 308.338 -2.117 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCCCN1CCOCC1 ZINC001135322977 776749063 /nfs/dbraw/zinc/74/90/63/776749063.db2.gz IRZQGLFNYCDNTQ-UHFFFAOYSA-N 1 0 324.425 -1.056 20 30 DAEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1c[nH]c(=O)cn1 ZINC001135320387 776749751 /nfs/dbraw/zinc/74/97/51/776749751.db2.gz NZBRGRFISYOBMV-VHSXEESVSA-N 1 0 320.353 -1.104 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C(C)(C)N1CCOCC1 ZINC001135347167 776750490 /nfs/dbraw/zinc/75/04/90/776750490.db2.gz QVQBIBUUJSLJOS-UHFFFAOYSA-N 1 0 310.398 -1.448 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001135334246 776750542 /nfs/dbraw/zinc/75/05/42/776750542.db2.gz HFJNHQOFBVQQET-MNOVXSKESA-N 1 0 308.382 -1.126 20 30 DAEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C1(C(N)=O)CC1 ZINC001135348639 776751477 /nfs/dbraw/zinc/75/14/77/776751477.db2.gz IHCZIKPNWDSWQK-VHSXEESVSA-N 1 0 309.370 -1.235 20 30 DAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(N)=O ZINC001135341268 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C[NH+](C)CCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O ZINC001090525311 776772789 /nfs/dbraw/zinc/77/27/89/776772789.db2.gz NSFBWCDWMMULIO-VXGBXAGGSA-N 1 0 304.354 -1.034 20 30 DAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C(=O)NCC(F)(F)F ZINC001135914130 776773875 /nfs/dbraw/zinc/77/38/75/776773875.db2.gz WVZSVUHMPIXSIR-UHFFFAOYSA-N 1 0 309.248 -1.990 20 30 DAEDRO C[NH+](C)CCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O ZINC001090525607 776774557 /nfs/dbraw/zinc/77/45/57/776774557.db2.gz STSGVZYKDZWVMN-VXGBXAGGSA-N 1 0 304.354 -1.034 20 30 DAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CN(C)S(=O)(=O)CC ZINC001136130226 776781396 /nfs/dbraw/zinc/78/13/96/776781396.db2.gz VUHBYHSCPMQXIQ-UHFFFAOYSA-N 1 0 320.415 -1.724 20 30 DAEDRO N#C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)N2CCNCC2)CCN1 ZINC001246098652 776787947 /nfs/dbraw/zinc/78/79/47/776787947.db2.gz CJUSELKZJNBTMW-RYUDHWBXSA-N 1 0 301.416 -1.545 20 30 DAEDRO C=C(C[NH+](C)C)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC001136407105 776788448 /nfs/dbraw/zinc/78/84/48/776788448.db2.gz 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C#CCC[NH2+][C@@H](CO)CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001278094249 780426953 /nfs/dbraw/zinc/42/69/53/780426953.db2.gz UVQWGOFQMLDTIL-LLVKDONJSA-N 1 0 308.338 -2.363 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)c1ccsn1 ZINC001278099287 780427027 /nfs/dbraw/zinc/42/70/27/780427027.db2.gz IBROIRPQZPVWOS-NXEZZACHSA-N 1 0 310.379 -1.039 20 30 DAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](CO)CNC(=O)C#CC1CC1 ZINC001278078491 780427471 /nfs/dbraw/zinc/42/74/71/780427471.db2.gz WZSGXUCBGMPFLS-GFCCVEGCSA-N 1 0 322.365 -1.522 20 30 DAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1ccnc(OC)n1 ZINC001278111449 780428888 /nfs/dbraw/zinc/42/88/88/780428888.db2.gz AZXNMZYEAPHFQG-NSHDSACASA-N 1 0 308.338 -1.185 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001278105032 780429438 /nfs/dbraw/zinc/42/94/38/780429438.db2.gz DWAVCOPWABMJMT-NEPJUHHUSA-N 1 0 324.381 -2.329 20 30 DAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1ccc(-n2cnnn2)cn1 ZINC001278118546 780429501 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DAEDRO C=CC[NH2+][C@@H](CO)CNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001278178791 780433296 /nfs/dbraw/zinc/43/32/96/780433296.db2.gz LBMMCLOEUMGTSI-LLVKDONJSA-N 1 0 309.370 -1.366 20 30 DAEDRO N#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cc2c([nH]1)CCC2 ZINC001278178374 780433424 /nfs/dbraw/zinc/43/34/24/780433424.db2.gz FLENUVLVPBFROT-LLVKDONJSA-N 1 0 319.365 -1.177 20 30 DAEDRO C#CCN(C(=O)CN1CCNC(=O)C1)C1CC[NH+](CC#C)CC1 ZINC001278170049 780433644 /nfs/dbraw/zinc/43/36/44/780433644.db2.gz WTOFKBMKJWJXSF-UHFFFAOYSA-N 1 0 316.405 -1.022 20 30 DAEDRO CC(C)n1cc(C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N)cn1 ZINC001278178386 780433794 /nfs/dbraw/zinc/43/37/94/780433794.db2.gz FRSGLCFRSOBZMA-GFCCVEGCSA-N 1 0 322.369 -1.216 20 30 DAEDRO C=CCN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)c2cccnn2)C1=O ZINC001278171473 780433851 /nfs/dbraw/zinc/43/38/51/780433851.db2.gz HMNSTOKHPWKVIR-YPMHNXCESA-N 1 0 319.365 -1.056 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ccc(OC)nn1 ZINC001278179626 780433966 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C#CCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CC[NH+](CCO)CC1 ZINC001278184339 780435780 /nfs/dbraw/zinc/43/57/80/780435780.db2.gz LJOFKJPQOSTMNF-UONOGXRCSA-N 1 0 323.393 -1.062 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)c1[nH]cnc1C ZINC001278212579 780436224 /nfs/dbraw/zinc/43/62/24/780436224.db2.gz KUJYXQHAINKCGD-QWRGUYRKSA-N 1 0 307.354 -1.464 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)Cn1ccnc1 ZINC001278212540 780436894 /nfs/dbraw/zinc/43/68/94/780436894.db2.gz KBTRUSOOBQJNQH-VXGBXAGGSA-N 1 0 307.354 -1.912 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)Cn1ccnc1 ZINC001278212539 780436919 /nfs/dbraw/zinc/43/69/19/780436919.db2.gz KBTRUSOOBQJNQH-RYUDHWBXSA-N 1 0 307.354 -1.912 20 30 DAEDRO C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(S(=O)(=O)CC#N)CC3)[C@H]2C1 ZINC001278256728 780437531 /nfs/dbraw/zinc/43/75/31/780437531.db2.gz RZANETWIWOWAHL-QWRGUYRKSA-N 1 0 312.395 -1.018 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)COCCOC)[C@H]1C ZINC001278234649 780437848 /nfs/dbraw/zinc/43/78/48/780437848.db2.gz RAORHLWHXJLWAU-QWHCGFSZSA-N 1 0 311.382 -1.022 20 30 DAEDRO C=CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CS(C)(=O)=O)C1 ZINC001278357504 780445057 /nfs/dbraw/zinc/44/50/57/780445057.db2.gz VKIXCDVBPFJPQZ-WDEREUQCSA-N 1 0 317.411 -1.088 20 30 DAEDRO C[C@@H]1C[C@H]([NH2+]CC(=O)NCC#N)CN1C(=O)CCc1cn[nH]n1 ZINC001278404304 780445858 /nfs/dbraw/zinc/44/58/58/780445858.db2.gz MVTUETBFFTYQOD-PWSUYJOCSA-N 1 0 319.369 -1.044 20 30 DAEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001278402839 780446245 /nfs/dbraw/zinc/44/62/45/780446245.db2.gz DEDVBVMIGKSACL-GHMZBOCLSA-N 1 0 302.400 -1.405 20 30 DAEDRO C[C@@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CN1C(=O)Cn1cncn1 ZINC001278416906 780446778 /nfs/dbraw/zinc/44/67/78/780446778.db2.gz QXSYLUBCQNVJHP-GHMZBOCLSA-N 1 0 305.342 -1.503 20 30 DAEDRO CC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CNS(=O)(=O)NC)C1 ZINC001278391477 780446906 /nfs/dbraw/zinc/44/69/06/780446906.db2.gz OWXAEZIPIPIWMO-GHMZBOCLSA-N 1 0 302.400 -1.358 20 30 DAEDRO C[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CN1C(=O)CCCC(N)=O ZINC001278430361 780449526 /nfs/dbraw/zinc/44/95/26/780449526.db2.gz GYUDGRYOUUCWHW-WDEREUQCSA-N 1 0 309.370 -1.139 20 30 DAEDRO C[C@@H]1C[C@H]([NH2+]CC(=O)NCC#N)CN1C(=O)CCCC(N)=O ZINC001278430359 780449958 /nfs/dbraw/zinc/44/99/58/780449958.db2.gz GYUDGRYOUUCWHW-MNOVXSKESA-N 1 0 309.370 -1.139 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)CCNC(N)=O)C1 ZINC001278612971 780462394 /nfs/dbraw/zinc/46/23/94/780462394.db2.gz ICITXZBDWCTZLB-RYUDHWBXSA-N 1 0 323.397 -1.331 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)c2nc[nH]n2)C1 ZINC001278562394 780462444 /nfs/dbraw/zinc/46/24/44/780462444.db2.gz OPACXYYAYZYUCR-CQSZACIVSA-N 1 0 304.354 -1.004 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001278542555 780462576 /nfs/dbraw/zinc/46/25/76/780462576.db2.gz PXRYDGDFJFNLPM-OAHLLOKOSA-N 1 0 320.393 -1.171 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001278547277 780462782 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DAEDRO C=CCOC[C@H](O)C[NH2+]CCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC001252498372 780471584 /nfs/dbraw/zinc/47/15/84/780471584.db2.gz LUDIIIFYKFBGPD-BPKMXRTBSA-N 1 0 321.370 -2.016 20 30 DAEDRO C=CCOC[C@@H](O)C[NH2+]CC(=O)NCC(=O)NCC(N)=O ZINC001252499313 780471617 /nfs/dbraw/zinc/47/16/17/780471617.db2.gz ZTDAHLCZZARMAZ-VIFPVBQESA-N 1 0 302.331 -3.143 20 30 DAEDRO C=CCNC(=O)C[NH2+]C1(CNC(=O)CC(N)=O)CCOCC1 ZINC001278701734 780474388 /nfs/dbraw/zinc/47/43/88/780474388.db2.gz ILTKXFBPKBDYGM-UHFFFAOYSA-N 1 0 312.370 -1.581 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)CCNC(N)=O)CC1(C)C ZINC001278690877 780475125 /nfs/dbraw/zinc/47/51/25/780475125.db2.gz VKXRINUIDWISDL-NSHDSACASA-N 1 0 323.397 -1.379 20 30 DAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1cnn(C)c1 ZINC001278730880 780476728 /nfs/dbraw/zinc/47/67/28/780476728.db2.gz HZADQOIIRBAHHM-GFCCVEGCSA-N 1 0 309.370 -1.255 20 30 DAEDRO COCC#CC[N@@H+]1CC[C@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001278753059 780478891 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COCC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001278771816 780485360 /nfs/dbraw/zinc/48/53/60/780485360.db2.gz UDOTUUVUJZFEKO-BBRMVZONSA-N 1 0 323.393 -1.285 20 30 DAEDRO C#CCC[N@H+]1CC[C@](O)(CNC(=O)CNS(=O)(=O)CC)C1 ZINC001278781246 780486112 /nfs/dbraw/zinc/48/61/12/780486112.db2.gz GHORNXHLXUMLSD-ZDUSSCGKSA-N 1 0 317.411 -1.498 20 30 DAEDRO C#CCC[N@H+]1CC[C@](O)(CNC(=O)CCNS(C)(=O)=O)C1 ZINC001278781124 780486863 /nfs/dbraw/zinc/48/68/63/780486863.db2.gz CTWBIGLBGIYNLV-ZDUSSCGKSA-N 1 0 317.411 -1.498 20 30 DAEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001278785788 780488251 /nfs/dbraw/zinc/48/82/51/780488251.db2.gz JECMKKBPRPAQPY-STQMWFEESA-N 1 0 319.365 -1.202 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cc1cnc[nH]1 ZINC001278809252 780490500 /nfs/dbraw/zinc/49/05/00/780490500.db2.gz FPNMHJYVVXPYSG-DGCLKSJQSA-N 1 0 321.381 -1.501 20 30 DAEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001278810284 780492375 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C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1ccco1 ZINC001278823210 780493905 /nfs/dbraw/zinc/49/39/05/780493905.db2.gz MODPLLMURYWMKU-LBPRGKRZSA-N 1 0 307.350 -1.020 20 30 DAEDRO CC#CC[N@@H+]1CC[C@](O)(CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001278827569 780494508 /nfs/dbraw/zinc/49/45/08/780494508.db2.gz HYWOXKUBVLVRAO-AWEZNQCLSA-N 1 0 320.353 -2.047 20 30 DAEDRO COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cn(C)c(=O)n1C ZINC001278839233 780494944 /nfs/dbraw/zinc/49/49/44/780494944.db2.gz OLKWUHRALADZAY-GFCCVEGCSA-N 1 0 324.381 -1.604 20 30 DAEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)CS(=O)(=O)N(C)C ZINC001278833242 780495186 /nfs/dbraw/zinc/49/51/86/780495186.db2.gz QMLLQTLRTHYAHW-NSHDSACASA-N 1 0 305.400 -1.690 20 30 DAEDRO COCC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C)NC(C)=O ZINC001278844123 780496611 /nfs/dbraw/zinc/49/66/11/780496611.db2.gz DEKMPXPLPFASKQ-OCCSQVGLSA-N 1 0 313.398 -1.088 20 30 DAEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001278865394 780499262 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COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@](C)(C#N)C1 ZINC001262490174 780572153 /nfs/dbraw/zinc/57/21/53/780572153.db2.gz QMIDSSGXISCWLJ-SMDDNHRTSA-N 1 0 310.354 -1.426 20 30 DAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CCn2cnnn2)C1 ZINC001263848545 780578731 /nfs/dbraw/zinc/57/87/31/780578731.db2.gz WTZZEGWSZIGIRC-PHIMTYICSA-N 1 0 320.357 -1.813 20 30 DAEDRO CN1C(=O)CC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001263842617 780578825 /nfs/dbraw/zinc/57/88/25/780578825.db2.gz YOIMWAALUGMOAU-GRYCIOLGSA-N 1 0 321.381 -1.269 20 30 DAEDRO C[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1)n1cncn1 ZINC001263831318 780579558 /nfs/dbraw/zinc/57/95/58/780579558.db2.gz KZIQHRBVUDVIRE-UTUOFQBUSA-N 1 0 319.369 -1.037 20 30 DAEDRO CC(=O)NCC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001263888647 780580069 /nfs/dbraw/zinc/58/00/69/780580069.db2.gz UDVBENJLTWKCIF-NWDGAFQWSA-N 1 0 309.370 -1.363 20 30 DAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001263868288 780580364 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ZINC001280571366 780639487 /nfs/dbraw/zinc/63/94/87/780639487.db2.gz UGTWCQMLHUYTFP-LBPRGKRZSA-N 1 0 320.353 -1.591 20 30 DAEDRO COCC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCNC2=O)CCO1 ZINC001280620127 780640070 /nfs/dbraw/zinc/64/00/70/780640070.db2.gz KLOXLSBFUIHEMD-STQMWFEESA-N 1 0 309.366 -1.411 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2csnn2)CCO1 ZINC001280620347 780640572 /nfs/dbraw/zinc/64/05/72/780640572.db2.gz LMWGBRZXVJNCHB-SNVBAGLBSA-N 1 0 323.378 -1.282 20 30 DAEDRO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cncn2)CC1 ZINC001280770097 780645371 /nfs/dbraw/zinc/64/53/71/780645371.db2.gz NDMWMPZXTITFNH-CYBMUJFWSA-N 1 0 318.381 -1.002 20 30 DAEDRO C#CCNC(=O)C[N@@H+](C)CCCN(C)C(=O)c1cnn(C)n1 ZINC001280865270 780646427 /nfs/dbraw/zinc/64/64/27/780646427.db2.gz YREOJIBLKIYGDO-UHFFFAOYSA-N 1 0 306.370 -1.042 20 30 DAEDRO C#CC[NH2+][C@]1(CO)CCCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC001281144171 780668056 /nfs/dbraw/zinc/66/80/56/780668056.db2.gz ARYOZURRSMXOPY-OAHLLOKOSA-N 1 0 321.381 -1.452 20 30 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/nfs/dbraw/zinc/68/87/17/780688717.db2.gz YZFKOUSUWXVCCK-LALPHHSUSA-N 1 0 313.398 -1.047 20 30 DAEDRO C#CC[NH2+][C@@H](C)CCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001281758688 780691486 /nfs/dbraw/zinc/69/14/86/780691486.db2.gz IUYIUSATJDPHRY-WDEREUQCSA-N 1 0 307.358 -1.705 20 30 DAEDRO CC#CC[NH+]1CCC(CO)(NC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001281808146 780692050 /nfs/dbraw/zinc/69/20/50/780692050.db2.gz FFVDHCZTRLOTMX-NSHDSACASA-N 1 0 322.365 -1.449 20 30 DAEDRO C[C@H](NC(=O)c1ccc(=O)[nH]n1)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001282096871 780701488 /nfs/dbraw/zinc/70/14/88/780701488.db2.gz QRUCHAQCZUNLKR-IUCAKERBSA-N 1 0 306.326 -1.082 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001282149016 780702348 /nfs/dbraw/zinc/70/23/48/780702348.db2.gz VCDRKHUXFVAIMC-MNOVXSKESA-N 1 0 322.369 -2.186 20 30 DAEDRO C[C@@H](NC(=O)C(=O)NCC(F)F)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001282158132 780702560 /nfs/dbraw/zinc/70/25/60/780702560.db2.gz HUWUDHNEWOUELY-JGVFFNPUSA-N 1 0 319.312 -1.510 20 30 DAEDRO CC1(C)CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC001282792363 780715556 /nfs/dbraw/zinc/71/55/56/780715556.db2.gz SWIZRLQCRYYEHW-GHMZBOCLSA-N 1 0 321.381 -1.269 20 30 DAEDRO C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cnc(C(N)=O)n3)[C@@H]2C1 ZINC001282857634 780715696 /nfs/dbraw/zinc/71/56/96/780715696.db2.gz CDNWFUJHBWMVAW-RTCCRHLQSA-N 1 0 304.354 -1.143 20 30 DAEDRO C#CCNC(=O)[C@@H](C)N1C[C@H](NC(=O)CC(N)=O)C(C)(C)C1 ZINC001282796032 780715788 /nfs/dbraw/zinc/71/57/88/780715788.db2.gz FVIKNTNLZKXASB-MNOVXSKESA-N 1 0 308.382 -1.174 20 30 DAEDRO CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001282877614 780717147 /nfs/dbraw/zinc/71/71/47/780717147.db2.gz PTAQTQAYZPWOHN-ZSOGYDGISA-N 1 0 304.394 -1.265 20 30 DAEDRO CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2C1 ZINC001282859344 780717466 /nfs/dbraw/zinc/71/74/66/780717466.db2.gz BRGXMHBYMMQLSI-YFKTTZPYSA-N 1 0 304.350 -1.098 20 30 DAEDRO COCCC(=O)N1CCO[C@@H]([C@H](C)[NH2+]CC(=O)NCC#N)C1 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IHYBSTHXGSFGSD-VXGBXAGGSA-N 1 0 322.365 -1.233 20 30 DAEDRO C=CCNC(=O)C[N@@H+]1C[C@@]2(C)CN(C(=O)C(N)=O)C[C@@]2(C)C1 ZINC001282992749 780730267 /nfs/dbraw/zinc/73/02/67/780730267.db2.gz NXVKOABEZCPSQH-GASCZTMLSA-N 1 0 308.382 -1.056 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001283024053 780733889 /nfs/dbraw/zinc/73/38/89/780733889.db2.gz RXRXTVUKRRCJGP-IJLUTSLNSA-N 1 0 306.366 -1.501 20 30 DAEDRO C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001283040995 780735652 /nfs/dbraw/zinc/73/56/52/780735652.db2.gz ICQXLHGWYMXFMM-DCAQKATOSA-N 1 0 310.354 -1.296 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001283041056 780736363 /nfs/dbraw/zinc/73/63/63/780736363.db2.gz KDILVXKDPLTBKK-HAQNSBGRSA-N 1 0 318.381 -1.111 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[C@H]2C(N)=O)C1 ZINC001283071036 780738539 /nfs/dbraw/zinc/73/85/39/780738539.db2.gz HVEOLJZDLWDNHB-LPWJVIDDSA-N 1 0 320.393 -1.268 20 30 DAEDRO C[C@@H](CN(C)C(=O)c1nccnc1N)[NH2+]CC(=O)NCC#N ZINC001283592370 780766232 /nfs/dbraw/zinc/76/62/32/780766232.db2.gz UGBWZNMJLIGLFU-VIFPVBQESA-N 1 0 305.342 -1.251 20 30 DAEDRO C#CCO[C@H](C)C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001283609077 780766522 /nfs/dbraw/zinc/76/65/22/780766522.db2.gz XKZWOEMYNWWVTN-GHMZBOCLSA-N 1 0 312.370 -1.083 20 30 DAEDRO C[C@@H](CN(C)C(=O)[C@@]1(C)CCNC(=O)C1)[NH2+]CC(=O)NCC#N ZINC001283632317 780767814 /nfs/dbraw/zinc/76/78/14/780767814.db2.gz OMKMMEOOEAHPAJ-NHYWBVRUSA-N 1 0 323.397 -1.021 20 30 DAEDRO Cc1nonc1CC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001283692103 780770303 /nfs/dbraw/zinc/77/03/03/780770303.db2.gz GZQAHQHZQSPLCY-SECBINFHSA-N 1 0 308.342 -1.003 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CCc1cn(C)nn1 ZINC001283721709 780770378 /nfs/dbraw/zinc/77/03/78/780770378.db2.gz DSWIJPZFVQLGML-LBPRGKRZSA-N 1 0 320.397 -1.066 20 30 DAEDRO CC[C@@H](NC(C)=O)C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001283681047 780770585 /nfs/dbraw/zinc/77/05/85/780770585.db2.gz RMYQUVNXOLLNHE-ZYHUDNBSSA-N 1 0 311.386 -1.023 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)Cc1cc[nH]n1 ZINC001283743163 780771262 /nfs/dbraw/zinc/77/12/62/780771262.db2.gz QLMBSJPPWUJFFP-JQWIXIFHSA-N 1 0 307.354 -1.843 20 30 DAEDRO N#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ccccc1O ZINC001283734345 780772048 /nfs/dbraw/zinc/77/20/48/780772048.db2.gz PFWRLDKFNMGVPD-SNVBAGLBSA-N 1 0 306.322 -1.288 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001283764290 780774913 /nfs/dbraw/zinc/77/49/13/780774913.db2.gz LBWSCROLBZNPNN-IJLUTSLNSA-N 1 0 319.365 -1.671 20 30 DAEDRO Cc1ncn(C)c1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N ZINC001283771963 780775276 /nfs/dbraw/zinc/77/52/76/780775276.db2.gz LUMSMIUVDVIHQD-JTQLQIEISA-N 1 0 308.342 -1.951 20 30 DAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001283769801 780775362 /nfs/dbraw/zinc/77/53/62/780775362.db2.gz GJALTZYISUDPRL-CHWSQXEVSA-N 1 0 311.382 -1.429 20 30 DAEDRO C=CCN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)c2cncn2C)C1=O ZINC001283772509 780775584 /nfs/dbraw/zinc/77/55/84/780775584.db2.gz XXNQKGQBYCSQTM-NEPJUHHUSA-N 1 0 321.381 -1.113 20 30 DAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001283769803 780775650 /nfs/dbraw/zinc/77/56/50/780775650.db2.gz GJALTZYISUDPRL-OLZOCXBDSA-N 1 0 311.382 -1.429 20 30 DAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001283769922 780775703 /nfs/dbraw/zinc/77/57/03/780775703.db2.gz HRDXYXWPBLAUTF-QWRGUYRKSA-N 1 0 307.354 -1.364 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cnc2n1CCC2 ZINC001283763405 780775758 /nfs/dbraw/zinc/77/57/58/780775758.db2.gz HLGPOGHDGVWHET-LLVKDONJSA-N 1 0 319.365 -1.741 20 30 DAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)c1csnn1 ZINC001283785992 780776671 /nfs/dbraw/zinc/77/66/71/780776671.db2.gz WDVRYNIOOKQRJD-DTWKUNHWSA-N 1 0 313.383 -1.091 20 30 DAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)Cn1nc2ccccn2c1=O ZINC001283784849 780776864 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C=CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)c1cccnn1 ZINC001283818504 780780862 /nfs/dbraw/zinc/78/08/62/780780862.db2.gz WLPXNCVRIAAWKP-QWRGUYRKSA-N 1 0 307.354 -1.152 20 30 DAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@H](NC(C)=O)C(C)C ZINC001283822371 780780925 /nfs/dbraw/zinc/78/09/25/780780925.db2.gz AHWWYGQGJJLBHG-ZIAGYGMSSA-N 1 0 313.398 -1.136 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)Cc1nc[nH]n1 ZINC001283817956 780781099 /nfs/dbraw/zinc/78/10/99/780781099.db2.gz ORMWLGNVUPSUJP-NXEZZACHSA-N 1 0 308.342 -2.448 20 30 DAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)CN1CCS(=O)(=O)CC1 ZINC001283827091 780782190 /nfs/dbraw/zinc/78/21/90/780782190.db2.gz HHTUQCPQPFYBDN-LLVKDONJSA-N 1 0 303.384 -2.583 20 30 DAEDRO C[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)CN1C(=O)CN1CCCC1=O ZINC001283946694 780788603 /nfs/dbraw/zinc/78/86/03/780788603.db2.gz KJQSVJJHQQCAJV-RYUDHWBXSA-N 1 0 321.381 -1.172 20 30 DAEDRO C[C@@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CN1C(=O)c1cnnn1C ZINC001283967073 780789804 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/nfs/dbraw/zinc/82/20/99/780822099.db2.gz QCYOFCOKHUGHNI-LBPRGKRZSA-N 1 0 310.358 -1.926 20 30 DAEDRO C=C(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001284502996 780822769 /nfs/dbraw/zinc/82/27/69/780822769.db2.gz VTAXLKCIFYYZJV-QWRGUYRKSA-N 1 0 312.370 -1.088 20 30 DAEDRO C=C(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001284502995 780824291 /nfs/dbraw/zinc/82/42/91/780824291.db2.gz VTAXLKCIFYYZJV-MNOVXSKESA-N 1 0 312.370 -1.088 20 30 DAEDRO C#CCNC(=O)CN(C)CCN(C(=O)[C@H]1CNC(=O)N1)C(C)C ZINC001284544721 780826809 /nfs/dbraw/zinc/82/68/09/780826809.db2.gz JRCFOIXFMYPCLP-GFCCVEGCSA-N 1 0 323.397 -1.414 20 30 DAEDRO C#CCOCCC(=O)N(C)C1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001284765907 780837615 /nfs/dbraw/zinc/83/76/15/780837615.db2.gz WSULWTSZODIJJX-UHFFFAOYSA-N 1 0 310.354 -1.200 20 30 DAEDRO CN(C(=O)Cn1ncnn1)C1CC([NH2+]CC(=O)NCC#N)C1 ZINC001284766175 780838362 /nfs/dbraw/zinc/83/83/62/780838362.db2.gz ZXRZKULJXFFMET-UHFFFAOYSA-N 1 0 306.330 -2.108 20 30 DAEDRO C#CC[NH2+]CCOCCN(C)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001284876480 780842470 /nfs/dbraw/zinc/84/24/70/780842470.db2.gz YDPUKNRFABAQJU-UHFFFAOYSA-N 1 0 324.337 -1.895 20 30 DAEDRO C#CCNC(=O)CC(=O)N1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001284894049 780844314 /nfs/dbraw/zinc/84/43/14/780844314.db2.gz YPMQBOYXWSBEMW-LBPRGKRZSA-N 1 0 306.366 -1.453 20 30 DAEDRO C[NH+](C)CCOCC(=O)NC[C@H](O)CNC(=O)C#CC1CC1 ZINC001285436471 780871119 /nfs/dbraw/zinc/87/11/19/780871119.db2.gz QETWUWOSMYQIHD-CYBMUJFWSA-N 1 0 311.382 -1.429 20 30 DAEDRO C#CC[NH+]1CCC(C(=O)NC/C=C/CNC(=O)CC(N)=O)CC1 ZINC001285514290 780876525 /nfs/dbraw/zinc/87/65/25/780876525.db2.gz RFHZUNJPNQXOJZ-ONEGZZNKSA-N 1 0 320.393 -1.004 20 30 DAEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)CN(C)C(=O)C(N)=O)CC1 ZINC001287706958 780920809 /nfs/dbraw/zinc/92/08/09/780920809.db2.gz QHFLHVRXBUAQLC-NSHDSACASA-N 1 0 308.382 -1.220 20 30 DAEDRO C#CCOCCC(=O)NC[C@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001287780897 780927580 /nfs/dbraw/zinc/92/75/80/780927580.db2.gz XDIXVUGMKKNVPN-CHWSQXEVSA-N 1 0 311.382 -1.286 20 30 DAEDRO C=CC[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](O)C1 ZINC001090830380 781352593 /nfs/dbraw/zinc/35/25/93/781352593.db2.gz MDGWNVIQRPKNCG-GXSJLCMTSA-N 1 0 308.342 -1.886 20 30 DAEDRO C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(CC(N)=O)C[C@H]2O)CC1 ZINC001090829873 781352914 /nfs/dbraw/zinc/35/29/14/781352914.db2.gz HAVNJONLPPBDOP-UONOGXRCSA-N 1 0 322.409 -1.632 20 30 DAEDRO C=CCC[N@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](O)C1 ZINC001090833366 781353531 /nfs/dbraw/zinc/35/35/31/781353531.db2.gz LPCUJVUCUUSMPQ-PWSUYJOCSA-N 1 0 322.369 -1.496 20 30 DAEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001171190312 781377695 /nfs/dbraw/zinc/37/76/95/781377695.db2.gz RRSLYKGGRLKBSY-KLAMDUKHSA-N 1 0 322.361 -1.121 20 30 DAEDRO C=CC[NH2+]C1CC(CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001091158561 781378619 /nfs/dbraw/zinc/37/86/19/781378619.db2.gz CBOOLQGMQKFTGB-ILDUYXDCSA-N 1 0 315.395 -1.430 20 30 DAEDRO C#CC[NH2+]C1CC(CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001091158563 781379453 /nfs/dbraw/zinc/37/94/53/781379453.db2.gz CIHUXPUVZGUZIR-ILDUYXDCSA-N 1 0 313.379 -1.983 20 30 DAEDRO C[NH+](C)CCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O ZINC001091177506 781380338 /nfs/dbraw/zinc/38/03/38/781380338.db2.gz CHMJYUKZXRRHHT-NEPJUHHUSA-N 1 0 304.354 -1.034 20 30 DAEDRO Cn1ncnc1COCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001146190713 781410841 /nfs/dbraw/zinc/41/08/41/781410841.db2.gz JQCPMNHZXYYBGF-UHFFFAOYSA-N 1 0 309.330 -2.323 20 30 DAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)COCc1ncnn1C ZINC001146215511 781411362 /nfs/dbraw/zinc/41/13/62/781411362.db2.gz KHFNPASRFRMKOP-LLVKDONJSA-N 1 0 324.385 -1.272 20 30 DAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)COCc1ncnn1C ZINC001146215512 781412059 /nfs/dbraw/zinc/41/20/59/781412059.db2.gz KHFNPASRFRMKOP-NSHDSACASA-N 1 0 324.385 -1.272 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)COCc1nncn1C ZINC001146209139 781412182 /nfs/dbraw/zinc/41/21/82/781412182.db2.gz VMMDCVMQSLGYRB-NSHDSACASA-N 1 0 322.369 -1.825 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnc(OC)nc1 ZINC001146520827 781415079 /nfs/dbraw/zinc/41/50/79/781415079.db2.gz ZKPDAWGPUADLDZ-JTQLQIEISA-N 1 0 305.338 -1.058 20 30 DAEDRO COCC#CC[NH2+]CCNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC001146656286 781419088 /nfs/dbraw/zinc/41/90/88/781419088.db2.gz WWIUDYDIGFYKQX-UHFFFAOYSA-N 1 0 310.354 -1.328 20 30 DAEDRO COCC#CC[NH2+]CCNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001146896300 781420344 /nfs/dbraw/zinc/42/03/44/781420344.db2.gz MWSHHDQVAKOQIO-UHFFFAOYSA-N 1 0 321.381 -1.263 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CN1CCC(=O)NC1=O ZINC001146879006 781422525 /nfs/dbraw/zinc/42/25/25/781422525.db2.gz PODDNDAGWCEKRJ-JTQLQIEISA-N 1 0 323.353 -2.228 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CN1CCC(=O)NC1=O ZINC001146878846 781422640 /nfs/dbraw/zinc/42/26/40/781422640.db2.gz NLADZZUZADHLLT-UHFFFAOYSA-N 1 0 309.326 -2.617 20 30 DAEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)CNC(C)=O)C2)C1 ZINC001146919512 781424596 /nfs/dbraw/zinc/42/45/96/781424596.db2.gz JDOWMYDIQWFXGL-LBPRGKRZSA-N 1 0 320.393 -1.205 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@]1(C)CCN(C(C)=O)C1 ZINC001146984614 781425864 /nfs/dbraw/zinc/42/58/64/781425864.db2.gz FHKBSVJDALXLKN-OAHLLOKOSA-N 1 0 308.382 -1.300 20 30 DAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cn([C@@H]2CCOC2)nn1 ZINC001147016515 781428722 /nfs/dbraw/zinc/42/87/22/781428722.db2.gz URLJPVJKVXOSFF-SNVBAGLBSA-N 1 0 321.341 -1.801 20 30 DAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cn([C@H]2CCOC2)nn1 ZINC001147016066 781428796 /nfs/dbraw/zinc/42/87/96/781428796.db2.gz QOFTYZFJYANLPL-NSHDSACASA-N 1 0 322.369 -1.139 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cn([C@H]2CCOC2)nn1 ZINC001147016075 781429042 /nfs/dbraw/zinc/42/90/42/781429042.db2.gz QQWXJZYBIUAZMI-NSHDSACASA-N 1 0 320.353 -1.692 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cnn(CCCOC)c1 ZINC001147056051 781430841 /nfs/dbraw/zinc/43/08/41/781430841.db2.gz KIRYOGFKOWQUBM-UHFFFAOYSA-N 1 0 321.381 -1.012 20 30 DAEDRO COCCCOCCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001147064342 781434102 /nfs/dbraw/zinc/43/41/02/781434102.db2.gz KNVOHCOCJWPQPM-UHFFFAOYSA-N 1 0 300.359 -1.225 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C(=O)N1CC[C@@H](C)C1 ZINC001147195175 781435416 /nfs/dbraw/zinc/43/54/16/781435416.db2.gz FNFMYVFNINNJSL-VXGBXAGGSA-N 1 0 308.382 -1.302 20 30 DAEDRO C=C(C)CC[NH2+]CCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001147363675 781438956 /nfs/dbraw/zinc/43/89/56/781438956.db2.gz IPZAKBIGWODVGI-LLVKDONJSA-N 1 0 309.374 -1.150 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001147322322 781439161 /nfs/dbraw/zinc/43/91/61/781439161.db2.gz YLJZOUZMRBTIBO-NEPJUHHUSA-N 1 0 323.397 -1.237 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCCN1C(N)=O ZINC001147322325 781439718 /nfs/dbraw/zinc/43/97/18/781439718.db2.gz YLJZOUZMRBTIBO-VXGBXAGGSA-N 1 0 323.397 -1.237 20 30 DAEDRO C#CCNC(=O)CC(=O)N1CC2(C1)CC[N@@H+]([C@H](CC)C(N)=O)C2 ZINC001147369107 781441187 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C#CCNC(=O)C[NH2+]CCNC(=O)c1ccnc2nc(C)nn21 ZINC001147638804 781448877 /nfs/dbraw/zinc/44/88/77/781448877.db2.gz HLLDFCRJYMLSRM-UHFFFAOYSA-N 1 0 315.337 -1.498 20 30 DAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001147671962 781452091 /nfs/dbraw/zinc/45/20/91/781452091.db2.gz YZNYBFFQBKMUAV-JTQLQIEISA-N 1 0 304.354 -1.140 20 30 DAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cccn2c(=O)[nH]nc12 ZINC001147650437 781452882 /nfs/dbraw/zinc/45/28/82/781452882.db2.gz NOTXFMRZFPSTKK-UHFFFAOYSA-N 1 0 317.309 -1.606 20 30 DAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC001147688840 781453323 /nfs/dbraw/zinc/45/33/23/781453323.db2.gz SIQMKPBMUXDBGM-SNVBAGLBSA-N 1 0 306.370 -1.082 20 30 DAEDRO COc1c(=O)[nH]c(=O)[nH]c1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001147699406 781455152 /nfs/dbraw/zinc/45/51/52/781455152.db2.gz LHGOVXVNXVYJFR-UHFFFAOYSA-N 1 0 324.297 -2.144 20 30 DAEDRO COCC#CC[NH2+]CCNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001147712881 781455567 /nfs/dbraw/zinc/45/55/67/781455567.db2.gz 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C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1(C(=O)NC)CCC1 ZINC001148629680 781476121 /nfs/dbraw/zinc/47/61/21/781476121.db2.gz RYUWASFONJGBKW-LLVKDONJSA-N 1 0 308.382 -1.254 20 30 DAEDRO C[C@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC(N)=O)C1 ZINC001086971363 781482288 /nfs/dbraw/zinc/48/22/88/781482288.db2.gz KZAYWASBBXYSDZ-ADEWGFFLSA-N 1 0 304.354 -1.051 20 30 DAEDRO C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1c1cnn(C)c1 ZINC001086994670 781485024 /nfs/dbraw/zinc/48/50/24/781485024.db2.gz NURVQTTYOAFQKZ-YNEHKIRRSA-N 1 0 316.365 -1.381 20 30 DAEDRO C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)C1=O ZINC001094007721 781525884 /nfs/dbraw/zinc/52/58/84/781525884.db2.gz DOMWGHKPCDESLG-UTUOFQBUSA-N 1 0 308.382 -1.057 20 30 DAEDRO C#CCC[N@H+]1CC[C@H](NC(=O)CCn2ncn(C)c2=O)[C@@H](O)C1 ZINC001099935902 781547823 /nfs/dbraw/zinc/54/78/23/781547823.db2.gz WRUGSLFUPHQOBF-STQMWFEESA-N 1 0 321.381 -1.453 20 30 DAEDRO CC(=O)N[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)C(C)C ZINC001171633508 781585670 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316.398 -1.766 20 30 DAEDRO CC(C)COCC[C@@H](C)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001172462541 781590946 /nfs/dbraw/zinc/59/09/46/781590946.db2.gz QZTUFENJISFUMQ-XVIXHAIJSA-N 1 0 307.387 -1.330 20 30 DAEDRO C=CCOC1CCC([NH2+][C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)CC1 ZINC001173314509 781593571 /nfs/dbraw/zinc/59/35/71/781593571.db2.gz RDBOQFQWLXENQM-QPIRDFFOSA-N 1 0 317.382 -1.110 20 30 DAEDRO CC1(C#N)CCC([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)CC1 ZINC001173589258 781595096 /nfs/dbraw/zinc/59/50/96/781595096.db2.gz YVEGZGCCMBBYHL-XGQIIXPESA-N 1 0 300.355 -1.152 20 30 DAEDRO CC1(C#N)CCC([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001173586113 781595142 /nfs/dbraw/zinc/59/51/42/781595142.db2.gz IECWUQIKWCYVDN-YOTCDVOTSA-N 1 0 300.355 -1.309 20 30 DAEDRO COc1c(C(=O)NCCC[NH2+]CC(=O)NCC#N)cnn1C ZINC001174753747 781599335 /nfs/dbraw/zinc/59/93/35/781599335.db2.gz QOPZCGDGQFJZLJ-UHFFFAOYSA-N 1 0 308.342 -1.222 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCC(=O)N1C ZINC001174926923 781601080 /nfs/dbraw/zinc/60/10/80/781601080.db2.gz DLNUCIMYEBGOQI-LBPRGKRZSA-N 1 0 308.382 -1.157 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)Cn1nc(C)n(C)c1=O ZINC001175018807 781602272 /nfs/dbraw/zinc/60/22/72/781602272.db2.gz QZUOECSQRYJIKZ-UHFFFAOYSA-N 1 0 322.369 -2.264 20 30 DAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CN1C(=O)CCC1=O ZINC001150472483 781603271 /nfs/dbraw/zinc/60/32/71/781603271.db2.gz IEPQXEVRGSODGZ-JTQLQIEISA-N 1 0 310.354 -1.468 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1ccc(=O)n(C)n1 ZINC001175400488 781604656 /nfs/dbraw/zinc/60/46/56/781604656.db2.gz GFQGHDULDHLVQP-UHFFFAOYSA-N 1 0 305.338 -1.761 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001175583873 781607487 /nfs/dbraw/zinc/60/74/87/781607487.db2.gz CGYDESOLQRGJLV-SNVBAGLBSA-N 1 0 323.353 -2.180 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1nccnc1C(N)=O ZINC001175634691 781609416 /nfs/dbraw/zinc/60/94/16/781609416.db2.gz 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N#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCN1C(N)=O ZINC001177441180 781635502 /nfs/dbraw/zinc/63/55/02/781635502.db2.gz UKHCXTIWQBJVFM-JTQLQIEISA-N 1 0 310.358 -1.735 20 30 DAEDRO C[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)N1CCOCC1 ZINC001177570593 781636944 /nfs/dbraw/zinc/63/69/44/781636944.db2.gz SSQIVCXKLQFORK-LBPRGKRZSA-N 1 0 311.386 -1.557 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001177601334 781638454 /nfs/dbraw/zinc/63/84/54/781638454.db2.gz TZRGKRSCDZRVFS-GHMZBOCLSA-N 1 0 322.365 -1.727 20 30 DAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CNC(N)=O)[C@H]1C ZINC001178096398 781642256 /nfs/dbraw/zinc/64/22/56/781642256.db2.gz HPIDNMSQNBGBOK-DCAQKATOSA-N 1 0 311.386 -1.076 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CNC(N)=O)[C@H]1C ZINC001178097086 781642331 /nfs/dbraw/zinc/64/23/31/781642331.db2.gz TZAHASPEGYXMBF-DCAQKATOSA-N 1 0 309.370 -1.628 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H]1C ZINC001178345869 781644168 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C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)NC(=O)CC)C1 ZINC001182764428 781712222 /nfs/dbraw/zinc/71/22/22/781712222.db2.gz LEHHHEFRPOBQMI-NWDGAFQWSA-N 1 0 308.382 -1.159 20 30 DAEDRO CCC(=O)N[C@H](C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001182765155 781712644 /nfs/dbraw/zinc/71/26/44/781712644.db2.gz PBPKHIWJGKUKET-GHMZBOCLSA-N 1 0 309.370 -1.269 20 30 DAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C1 ZINC001182998669 781716540 /nfs/dbraw/zinc/71/65/40/781716540.db2.gz FMKDKQRJYQPIKA-GFCCVEGCSA-N 1 0 317.411 -1.282 20 30 DAEDRO CN1C[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)CC1=O ZINC001182973592 781718347 /nfs/dbraw/zinc/71/83/47/781718347.db2.gz OVOKXPIXGAYISV-GHMZBOCLSA-N 1 0 307.354 -1.705 20 30 DAEDRO CC(C)C(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001182981719 781718465 /nfs/dbraw/zinc/71/84/65/781718465.db2.gz JGFKFNAOKYFMED-GFCCVEGCSA-N 1 0 323.397 -1.069 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151306848 781722623 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20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001183437608 781725180 /nfs/dbraw/zinc/72/51/80/781725180.db2.gz YMWLIYRRQFXCTK-WDEREUQCSA-N 1 0 308.382 -1.174 20 30 DAEDRO CC[C@]1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)CCNC1=O ZINC001183391359 781725447 /nfs/dbraw/zinc/72/54/47/781725447.db2.gz POVFFKXJHSLJCY-ABAIWWIYSA-N 1 0 321.381 -1.267 20 30 DAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001183483054 781725976 /nfs/dbraw/zinc/72/59/76/781725976.db2.gz YIEZPYUDGOACQL-GHMZBOCLSA-N 1 0 307.354 -1.515 20 30 DAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCS(C)(=O)=O)C1 ZINC001183677950 781729060 /nfs/dbraw/zinc/72/90/60/781729060.db2.gz SGKGPLARWRQEKW-LLVKDONJSA-N 1 0 317.411 -1.086 20 30 DAEDRO C[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)S(C)(=O)=O ZINC001183656435 781729981 /nfs/dbraw/zinc/72/99/81/781729981.db2.gz DSAXCPXLKYGHSK-NXEZZACHSA-N 1 0 316.383 -1.750 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)S(C)(=O)=O)C1 ZINC001183657176 781730518 /nfs/dbraw/zinc/73/05/18/781730518.db2.gz MAFIMINACRUZQI-GHMZBOCLSA-N 1 0 315.395 -1.641 20 30 DAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001183720880 781732801 /nfs/dbraw/zinc/73/28/01/781732801.db2.gz AEERJAFQVZVRQN-CYBMUJFWSA-N 1 0 324.381 -1.921 20 30 DAEDRO CC(=O)NCC(=O)N1CC[C@@H](C[NH2+]CC(=O)NCC#N)[C@@H](C)C1 ZINC001183762545 781734787 /nfs/dbraw/zinc/73/47/87/781734787.db2.gz HMXWYLKDBRNNEQ-AAEUAGOBSA-N 1 0 323.397 -1.164 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CNC(C)=O)C[C@@H]1C ZINC001183762789 781735047 /nfs/dbraw/zinc/73/50/47/781735047.db2.gz KCJSHNSPNQALPN-GXTWGEPZSA-N 1 0 322.409 -1.054 20 30 DAEDRO CC(=O)NCC(=O)N1CC[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001183762548 781735615 /nfs/dbraw/zinc/73/56/15/781735615.db2.gz HMXWYLKDBRNNEQ-YPMHNXCESA-N 1 0 323.397 -1.164 20 30 DAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001183793090 781736232 /nfs/dbraw/zinc/73/62/32/781736232.db2.gz HBURCXJKUXGGTJ-LLVKDONJSA-N 1 0 322.369 -1.926 20 30 DAEDRO C[C@@H]1CN(C(=O)CNC(N)=O)CC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001183861545 781736872 /nfs/dbraw/zinc/73/68/72/781736872.db2.gz PWEXTONNQKPSND-GHMZBOCLSA-N 1 0 324.385 -1.631 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CNC(N)=O)C[C@H]1C ZINC001183822458 781737009 /nfs/dbraw/zinc/73/70/09/781737009.db2.gz LKADUHQRCPKUFQ-VXGBXAGGSA-N 1 0 323.397 -1.522 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)C1 ZINC001183869121 781738211 /nfs/dbraw/zinc/73/82/11/781738211.db2.gz RUGIWSKOFHATNL-NWDGAFQWSA-N 1 0 306.366 -1.548 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccc(C(N)=O)o2)C1 ZINC001184092377 781742193 /nfs/dbraw/zinc/74/21/93/781742193.db2.gz NKEIYVBTXLQSHW-SNVBAGLBSA-N 1 0 318.333 -1.068 20 30 DAEDRO C[C@H]1CN(C(=O)CC(N)=O)CC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001184097391 781743372 /nfs/dbraw/zinc/74/33/72/781743372.db2.gz CGUYSMADVRVSKD-WDEREUQCSA-N 1 0 309.370 -1.424 20 30 DAEDRO C[C@H]1CN(C(=O)CC(N)=O)CC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001184097390 781743636 /nfs/dbraw/zinc/74/36/36/781743636.db2.gz CGUYSMADVRVSKD-QWRGUYRKSA-N 1 0 309.370 -1.424 20 30 DAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCCC(=O)N2)C1 ZINC001184099863 781743649 /nfs/dbraw/zinc/74/36/49/781743649.db2.gz BAHLMKJRLQWCIH-NWDGAFQWSA-N 1 0 321.381 -1.125 20 30 DAEDRO C#CCNC(=O)CC(=O)N1CC[C@H](C[NH2+]CC(=O)NC)[C@H](C)C1 ZINC001184209775 781745190 /nfs/dbraw/zinc/74/51/90/781745190.db2.gz QKPYLEGQZBSXRD-CHWSQXEVSA-N 1 0 322.409 -1.054 20 30 DAEDRO C#CCNC(=O)CC(=O)N1CC[C@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001184240011 781746029 /nfs/dbraw/zinc/74/60/29/781746029.db2.gz FSASGMXSVDLERO-VXGBXAGGSA-N 1 0 308.382 -1.315 20 30 DAEDRO C#CCNC(=O)CC(=O)N1CC[C@H](C[NH2+]CC(N)=O)[C@@H](C)C1 ZINC001184240009 781746593 /nfs/dbraw/zinc/74/65/93/781746593.db2.gz FSASGMXSVDLERO-NWDGAFQWSA-N 1 0 308.382 -1.315 20 30 DAEDRO C=C(CC(=O)OCCCC)C(=O)N1CN[C@H](N)[C@@H]2NCN[C@@H]21 ZINC001184315303 781746919 /nfs/dbraw/zinc/74/69/19/781746919.db2.gz DEAMEUDRTRLLSK-RWMBFGLXSA-N 1 0 311.386 -1.205 20 30 DAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC001184536330 781748026 /nfs/dbraw/zinc/74/80/26/781748026.db2.gz PBNHWJVWUAXRDJ-CYBMUJFWSA-N 1 0 321.381 -1.188 20 30 DAEDRO C=CCOCC[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001184618665 781749761 /nfs/dbraw/zinc/74/97/61/781749761.db2.gz GCMVRCKDSGBGRX-LLVKDONJSA-N 1 0 320.415 -1.567 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@]2(COC)CCOC2)C1 ZINC001184639030 781750652 /nfs/dbraw/zinc/75/06/52/781750652.db2.gz WDEYDLKPRMLRLF-CJNGLKHVSA-N 1 0 323.393 -1.021 20 30 DAEDRO COc1nn(C)cc1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001184807100 781750955 /nfs/dbraw/zinc/75/09/55/781750955.db2.gz UDXXHWJBKWFCTL-SNVBAGLBSA-N 1 0 320.353 -1.127 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001184840967 781753122 /nfs/dbraw/zinc/75/31/22/781753122.db2.gz GZQVEYMCTPWWKM-MNOVXSKESA-N 1 0 307.354 -2.050 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001184944542 781753837 /nfs/dbraw/zinc/75/38/37/781753837.db2.gz ROCBPVNUELNXMW-UPJWGTAASA-N 1 0 320.393 -1.064 20 30 DAEDRO CN1C(=O)CC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001184981000 781754293 /nfs/dbraw/zinc/75/42/93/781754293.db2.gz DGPWQXGPZRDHIX-MNOVXSKESA-N 1 0 307.354 -1.563 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001184962210 781754670 /nfs/dbraw/zinc/75/46/70/781754670.db2.gz RKCPDLXVVHVGHW-VHSXEESVSA-N 1 0 305.342 -1.848 20 30 DAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001185041194 781755347 /nfs/dbraw/zinc/75/53/47/781755347.db2.gz ARDXIPGHLNIWLT-VXGBXAGGSA-N 1 0 308.382 -1.043 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001185030476 781755633 /nfs/dbraw/zinc/75/56/33/781755633.db2.gz VGRKSPLLOGWGLQ-VXGBXAGGSA-N 1 0 306.366 -1.595 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)COc2cnn(C)c2)C1 ZINC001185190937 781758083 /nfs/dbraw/zinc/75/80/83/781758083.db2.gz VVMRXDPWTFAHSE-GFCCVEGCSA-N 1 0 319.365 -1.261 20 30 DAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001185600949 781762218 /nfs/dbraw/zinc/76/22/18/781762218.db2.gz XTBFARLNGQHORI-VXGBXAGGSA-N 1 0 321.381 -1.125 20 30 DAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001185684898 781763469 /nfs/dbraw/zinc/76/34/69/781763469.db2.gz VJMFYNYPKMSALW-GRYCIOLGSA-N 1 0 321.381 -1.282 20 30 DAEDRO CN(CCC[N@H+](C)CC(=O)NCC#N)C(=O)c1ncn(C)n1 ZINC001273507548 781763481 /nfs/dbraw/zinc/76/34/81/781763481.db2.gz DVTXTIZRSDPTST-UHFFFAOYSA-N 1 0 307.358 -1.151 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001185684842 781763542 /nfs/dbraw/zinc/76/35/42/781763542.db2.gz SMRSYJWYRJDOAJ-FRRDWIJNSA-N 1 0 320.393 -1.172 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001185684484 781764065 /nfs/dbraw/zinc/76/40/65/781764065.db2.gz PNASPXAVAAAIOV-UPJWGTAASA-N 1 0 320.393 -1.349 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2cn[nH]n2)C1 ZINC001185750369 781764938 /nfs/dbraw/zinc/76/49/38/781764938.db2.gz XNBGIRFTVANMHZ-GFCCVEGCSA-N 1 0 304.354 -1.323 20 30 DAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001185912454 781768129 /nfs/dbraw/zinc/76/81/29/781768129.db2.gz DEWVAWZKCKADOX-VXGBXAGGSA-N 1 0 317.411 -1.236 20 30 DAEDRO C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001185941096 781768245 /nfs/dbraw/zinc/76/82/45/781768245.db2.gz SBIKGIFYWSVIPZ-MNOVXSKESA-N 1 0 310.354 -1.022 20 30 DAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)CNS(=O)(=O)NC)C12CCC2 ZINC001203232070 781768672 /nfs/dbraw/zinc/76/86/72/781768672.db2.gz UVQPHWVEBWLWQG-QWRGUYRKSA-N 1 0 314.411 -1.310 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](CC)N1CCCC1=O ZINC001151529926 781769337 /nfs/dbraw/zinc/76/93/37/781769337.db2.gz NTXAOJCLTJJMLG-GFCCVEGCSA-N 1 0 308.382 -1.157 20 30 DAEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001186031848 781770848 /nfs/dbraw/zinc/77/08/48/781770848.db2.gz NWGDFSHQGHLXTF-LLVKDONJSA-N 1 0 304.350 -1.089 20 30 DAEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001186041216 781772240 /nfs/dbraw/zinc/77/22/40/781772240.db2.gz MVKNOEQDXGWSEJ-LLVKDONJSA-N 1 0 304.350 -1.089 20 30 DAEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001186050060 781773278 /nfs/dbraw/zinc/77/32/78/781773278.db2.gz XLKVRVAOFFGLII-SNVBAGLBSA-N 1 0 306.322 -1.379 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)OCCOC)C1 ZINC001186059349 781773294 /nfs/dbraw/zinc/77/32/94/781773294.db2.gz JIBUJMZCZBNCAS-QWHCGFSZSA-N 1 0 311.382 -1.022 20 30 DAEDRO CC(=O)NCC(C)(C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001186260547 781775224 /nfs/dbraw/zinc/77/52/24/781775224.db2.gz YVUSYNMSPIZPSJ-GFCCVEGCSA-N 1 0 323.397 -1.021 20 30 DAEDRO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)nn1 ZINC001186177084 781775556 /nfs/dbraw/zinc/77/55/56/781775556.db2.gz GEWGQSLUWPDONA-SECBINFHSA-N 1 0 321.341 -1.537 20 30 DAEDRO CNC(=O)C1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001186321276 781777039 /nfs/dbraw/zinc/77/70/39/781777039.db2.gz JCQQUXLDXBAGEF-SNVBAGLBSA-N 1 0 307.354 -1.657 20 30 DAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001186555732 781779950 /nfs/dbraw/zinc/77/99/50/781779950.db2.gz WDFYXAPMMXSDFS-LLVKDONJSA-N 1 0 307.358 -1.444 20 30 DAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001186585105 781779991 /nfs/dbraw/zinc/77/99/91/781779991.db2.gz VENIVFWXNKAMHJ-SNVBAGLBSA-N 1 0 318.337 -1.443 20 30 DAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001186563238 781780391 /nfs/dbraw/zinc/78/03/91/781780391.db2.gz USPXPHURVQZORG-VXGBXAGGSA-N 1 0 321.385 -1.056 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001186593395 781781904 /nfs/dbraw/zinc/78/19/04/781781904.db2.gz DZLQOKKUQXXPMJ-LLVKDONJSA-N 1 0 317.349 -1.333 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn(CC)nn2)C1 ZINC001186665980 781786385 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C=C[C@](C)(O)CC(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001319451902 916436976 /nfs/dbraw/zinc/43/69/76/916436976.db2.gz ICWMALHZQTVLNT-RNCFNFMXSA-N 1 0 300.359 -1.055 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1COCCN1CC ZINC001319484949 916439801 /nfs/dbraw/zinc/43/98/01/916439801.db2.gz CPGUPFRCARMXPM-UONOGXRCSA-N 1 0 324.425 -1.107 20 30 DAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@H]1CCC(=O)N1C ZINC001319514958 916440903 /nfs/dbraw/zinc/44/09/03/916440903.db2.gz OAIJBGYASMEGTD-GHMZBOCLSA-N 1 0 309.370 -1.317 20 30 DAEDRO CNS(=O)(=O)CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001319590944 916442386 /nfs/dbraw/zinc/44/23/86/916442386.db2.gz XQRGLJWGSOVUAK-VIFPVBQESA-N 1 0 319.387 -2.388 20 30 DAEDRO CC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H](C)C1 ZINC001319672631 916446637 /nfs/dbraw/zinc/44/66/37/916446637.db2.gz HEQIGMHSTZNKGE-AAEUAGOBSA-N 1 0 323.397 -1.069 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1CCNC(=O)C1)C(C)C ZINC001319905869 916453668 /nfs/dbraw/zinc/45/36/68/916453668.db2.gz QHWBLWAOKITRIR-QWHCGFSZSA-N 1 0 322.409 -1.008 20 30 DAEDRO C[C@H]1CCCN(C(=O)CC(N)=O)[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001319835671 916453818 /nfs/dbraw/zinc/45/38/18/916453818.db2.gz KVUKOWBWAHZHOR-WDEREUQCSA-N 1 0 309.370 -1.282 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CCNC(=O)C1)C(C)C ZINC001319905867 916454584 /nfs/dbraw/zinc/45/45/84/916454584.db2.gz QHWBLWAOKITRIR-CHWSQXEVSA-N 1 0 322.409 -1.008 20 30 DAEDRO C=CCNC(=O)C[NH2+][C@@H](CNC(=O)c1nnn(C)n1)C(C)C ZINC001319935418 916456643 /nfs/dbraw/zinc/45/66/43/916456643.db2.gz JHYMDVSFTFDIKX-JTQLQIEISA-N 1 0 309.374 -1.144 20 30 DAEDRO CC(C)[C@H](CNC(=O)C(C)(C)C(N)=O)[NH2+]CC(=O)NCC#N ZINC001319916643 916457037 /nfs/dbraw/zinc/45/70/37/916457037.db2.gz ILCKQHNIRBAGFO-JTQLQIEISA-N 1 0 311.386 -1.132 20 30 DAEDRO CC#CC[NH2+][C@H](CNC(=O)CNC(=O)CNC(C)=O)C(C)C ZINC001319922083 916458298 /nfs/dbraw/zinc/45/82/98/916458298.db2.gz KNUBFUQKCAMADJ-CYBMUJFWSA-N 1 0 310.398 -1.008 20 30 DAEDRO C#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001320162862 916471826 /nfs/dbraw/zinc/47/18/26/916471826.db2.gz GASAJOYKUMYKNF-MNOVXSKESA-N 1 0 320.349 -1.085 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)CN(C)C(C)=O ZINC001320198204 916472948 /nfs/dbraw/zinc/47/29/48/916472948.db2.gz AQRKBFFAWVWNIV-CMPLNLGQSA-N 1 0 312.370 -2.331 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1cc(C)nn1C ZINC001320199973 916473051 /nfs/dbraw/zinc/47/30/51/916473051.db2.gz DHDHNYPPIGJJTJ-NEPJUHHUSA-N 1 0 321.381 -1.453 20 30 DAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cc[n+]([O-])cc1 ZINC001320189923 916473460 /nfs/dbraw/zinc/47/34/60/916473460.db2.gz ZWBCIRGXSSUREV-GFCCVEGCSA-N 1 0 308.338 -1.698 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 ZINC001320202560 916473829 /nfs/dbraw/zinc/47/38/29/916473829.db2.gz PGKARUFZELIXNF-LLVKDONJSA-N 1 0 303.322 -1.684 20 30 DAEDRO CCN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)CSCC#N)C1=O ZINC001320198998 916474737 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CS(=O)(=O)CC[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(C#N)c1 ZINC001320217896 916481213 /nfs/dbraw/zinc/48/12/13/916481213.db2.gz SPIUHBFCNBZVGV-NSHDSACASA-N 1 0 314.367 -1.389 20 30 DAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1coc(S(N)(=O)=O)c1 ZINC001320242583 916482832 /nfs/dbraw/zinc/48/28/32/916482832.db2.gz NFUVSHAJCUYGOI-JTQLQIEISA-N 1 0 315.351 -1.369 20 30 DAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)C(=O)NCC(F)F ZINC001320243299 916483468 /nfs/dbraw/zinc/48/34/68/916483468.db2.gz SGDPWWVPDBXWQM-VIFPVBQESA-N 1 0 307.297 -1.916 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001320242125 916483681 /nfs/dbraw/zinc/48/36/81/916483681.db2.gz KWQCAVNTDWQAKY-RYUDHWBXSA-N 1 0 324.381 -2.329 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)S(C)(=O)=O ZINC001320239574 916484236 /nfs/dbraw/zinc/48/42/36/916484236.db2.gz XTCNBOODUZSGCF-ZJUUUORDSA-N 1 0 319.383 -2.764 20 30 DAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001320237081 916484566 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DAEDRO CC1(C)CN(C(=O)Cn2ncnn2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001332378450 917365947 /nfs/dbraw/zinc/36/59/47/917365947.db2.gz AHHILWPVQOYRJE-SNVBAGLBSA-N 1 0 320.357 -1.861 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2COCCO2)CC1(C)C ZINC001332344218 917367118 /nfs/dbraw/zinc/36/71/18/917367118.db2.gz HJEXTBCWKNTPSW-CHWSQXEVSA-N 1 0 323.393 -1.022 20 30 DAEDRO Cn1cc(/C=C/C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c(=O)n(C)c1=O ZINC001332453545 917371509 /nfs/dbraw/zinc/37/15/09/917371509.db2.gz ZPDOVFNHIFBMIY-YIZUVKHSSA-N 1 0 303.322 -1.675 20 30 DAEDRO Cn1cc(/C=C\C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c(=O)n(C)c1=O ZINC001332453542 917371744 /nfs/dbraw/zinc/37/17/44/917371744.db2.gz ZPDOVFNHIFBMIY-ANDSXOESSA-N 1 0 303.322 -1.675 20 30 DAEDRO C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NCC#N)n1cccn1 ZINC001332487372 917374915 /nfs/dbraw/zinc/37/49/15/917374915.db2.gz BBGXLGGRKMYOCT-NWDGAFQWSA-N 1 0 322.369 -1.507 20 30 DAEDRO C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NCC#N)n1cccn1 ZINC001332487371 917375193 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CC[C@@]1(C(=O)NC/C=C/C[NH2+]CC(=O)NCC#N)CCNC1=O ZINC001274105743 782264944 /nfs/dbraw/zinc/26/49/44/782264944.db2.gz NUXPZUNHMNSOIB-BWPKMQGJSA-N 1 0 321.381 -1.196 20 30 DAEDRO N#CCNC(=O)C[NH2+]C/C=C\CNC(=O)CN1CCOCC1=O ZINC001274096922 782264959 /nfs/dbraw/zinc/26/49/59/782264959.db2.gz LJVFKOZJJITHSP-UPHRSURJSA-N 1 0 323.353 -2.253 20 30 DAEDRO C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNS(=O)(=O)NC)C2 ZINC001110860718 782268354 /nfs/dbraw/zinc/26/83/54/782268354.db2.gz BRIJDQDVHNTNQB-UTUOFQBUSA-N 1 0 314.411 -1.215 20 30 DAEDRO C#CCNC(=O)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC)C12CCC2 ZINC001202773404 782268525 /nfs/dbraw/zinc/26/85/25/782268525.db2.gz MXTBCPBJUUYJKJ-RYUDHWBXSA-N 1 0 320.393 -1.111 20 30 DAEDRO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNS(=O)(=O)NC)C2 ZINC001110859551 782269605 /nfs/dbraw/zinc/26/96/05/782269605.db2.gz DBLZWJOYROJEJU-MXWKQRLJSA-N 1 0 300.384 -1.605 20 30 DAEDRO CN1CC[C@@H](C(=O)NC/C=C\C[NH2+]CC(=O)NCC#N)CC1=O ZINC001274133900 782266650 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C#CC[NH2+]C[C@H](O)CNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001268332764 775376800 /nfs/dbraw/zinc/37/68/00/775376800.db2.gz PIMKDYSAXYBOID-JQWIXIFHSA-N 1 0 303.384 -1.842 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]cnc1C ZINC001268333207 775376841 /nfs/dbraw/zinc/37/68/41/775376841.db2.gz RLFIGVUIVZRCEH-NWDGAFQWSA-N 1 0 321.381 -1.535 20 30 DAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@H](C)CS(C)(=O)=O ZINC001268335112 775377454 /nfs/dbraw/zinc/37/74/54/775377454.db2.gz POSZIDSJLQBITB-NEPJUHHUSA-N 1 0 320.411 -1.616 20 30 DAEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001268355763 775377993 /nfs/dbraw/zinc/37/79/93/775377993.db2.gz DZJXLTUALZZWTI-NSHDSACASA-N 1 0 308.382 -1.302 20 30 DAEDRO C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001268355749 775378586 /nfs/dbraw/zinc/37/85/86/775378586.db2.gz DZJXLTUALZZWTI-LLVKDONJSA-N 1 0 308.382 -1.302 20 30 DAEDRO C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CCNC(=O)C1 ZINC001268361530 775378760 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CNS(=O)(=O)NCC(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001131828245 776592847 /nfs/dbraw/zinc/59/28/47/776592847.db2.gz INNDGZGGAUHNDT-UHFFFAOYSA-N 1 0 324.406 -1.202 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCNC(=O)CC1 ZINC001131847844 776595426 /nfs/dbraw/zinc/59/54/26/776595426.db2.gz HHNDFLYSWWYVIR-NWDGAFQWSA-N 1 0 308.382 -1.254 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001131847845 776596538 /nfs/dbraw/zinc/59/65/38/776596538.db2.gz HHNDFLYSWWYVIR-RYUDHWBXSA-N 1 0 308.382 -1.254 20 30 DAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CNS(=O)(=O)NC ZINC001131836986 776596573 /nfs/dbraw/zinc/59/65/73/776596573.db2.gz JWDDCOXLTUCYBC-SECBINFHSA-N 1 0 321.403 -2.563 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](OCC)[C@H]1CCOC1 ZINC001131889824 776599194 /nfs/dbraw/zinc/59/91/94/776599194.db2.gz UNUBBIFQKRQITR-JSGCOSHPSA-N 1 0 311.382 -1.117 20 30 DAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1csnn1 ZINC001131972782 776601097 /nfs/dbraw/zinc/60/10/97/776601097.db2.gz 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ZINC001132242534 776613663 /nfs/dbraw/zinc/61/36/63/776613663.db2.gz RHKCBGFFOMEZLE-UHFFFAOYSA-N 1 0 308.298 -2.555 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H]1CCC(=O)N1C ZINC001132261491 776615003 /nfs/dbraw/zinc/61/50/03/776615003.db2.gz PEPYJGBRLHTLCG-NWDGAFQWSA-N 1 0 308.382 -1.159 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CCC(=O)N1C ZINC001132261489 776615121 /nfs/dbraw/zinc/61/51/21/776615121.db2.gz PEPYJGBRLHTLCG-NEPJUHHUSA-N 1 0 308.382 -1.159 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CCC(=O)N1C ZINC001132261493 776616176 /nfs/dbraw/zinc/61/61/76/776616176.db2.gz PEPYJGBRLHTLCG-RYUDHWBXSA-N 1 0 308.382 -1.159 20 30 DAEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001132338145 776619026 /nfs/dbraw/zinc/61/90/26/776619026.db2.gz QIQOLIPKDDTDIX-NWDGAFQWSA-N 1 0 323.397 -1.034 20 30 DAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)CC(N)=O ZINC001132351830 776620601 /nfs/dbraw/zinc/62/06/01/776620601.db2.gz BSFRWMKCDWQPSF-VIFPVBQESA-N 1 0 313.358 -1.785 20 30 DAEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132382321 776626781 /nfs/dbraw/zinc/62/67/81/776626781.db2.gz IESQXCPFJFRQQS-NSHDSACASA-N 1 0 324.385 -1.522 20 30 DAEDRO C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)c1nnn(C)n1 ZINC001132528135 776633736 /nfs/dbraw/zinc/63/37/36/776633736.db2.gz FDWOJFQXYIKITH-UHFFFAOYSA-N 1 0 307.358 -1.270 20 30 DAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CCN(C)C2=O)C1=O ZINC001132608429 776636627 /nfs/dbraw/zinc/63/66/27/776636627.db2.gz DNXFAFXUEYGTSY-VXGBXAGGSA-N 1 0 308.382 -1.043 20 30 DAEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCN(C)C1=O ZINC001132608347 776636724 /nfs/dbraw/zinc/63/67/24/776636724.db2.gz CTLUCPZKVWCWHX-LBPRGKRZSA-N 1 0 323.397 -1.067 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CNC(N)=O)CC[C@@H]1C ZINC001132633396 776637143 /nfs/dbraw/zinc/63/71/43/776637143.db2.gz IFGUWLOSSDDHKG-RYUDHWBXSA-N 1 0 323.397 -1.522 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CNC(N)=O)CC[C@H]1C ZINC001132633394 776637932 /nfs/dbraw/zinc/63/79/32/776637932.db2.gz IFGUWLOSSDDHKG-NEPJUHHUSA-N 1 0 323.397 -1.522 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CNC(N)=O)CC[C@H]1C ZINC001132633397 776637949 /nfs/dbraw/zinc/63/79/49/776637949.db2.gz IFGUWLOSSDDHKG-VXGBXAGGSA-N 1 0 323.397 -1.522 20 30 DAEDRO C#CCNC(=O)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001132760733 776639464 /nfs/dbraw/zinc/63/94/64/776639464.db2.gz BPXFKIVFASMYPN-VXGBXAGGSA-N 1 0 308.382 -1.315 20 30 DAEDRO CNC(=O)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001132774143 776641350 /nfs/dbraw/zinc/64/13/50/776641350.db2.gz XZOHNEXKSRHLOU-NEPJUHHUSA-N 1 0 323.397 -1.164 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)C(=O)N1CC[C@H](C)C1 ZINC001170643833 776648600 /nfs/dbraw/zinc/64/86/00/776648600.db2.gz YOXYNKRZWGAKIV-LBPRGKRZSA-N 1 0 308.382 -1.300 20 30 DAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CNS(=O)(=O)NC)CC[C@H]1C ZINC001133012642 776650351 /nfs/dbraw/zinc/65/03/51/776650351.db2.gz SNZLEWXLUCLKJM-VXGBXAGGSA-N 1 0 316.427 -1.252 20 30 DAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CNS(=O)(=O)NC)CC[C@@H]1C ZINC001133012640 776650940 /nfs/dbraw/zinc/65/09/40/776650940.db2.gz SNZLEWXLUCLKJM-NWDGAFQWSA-N 1 0 316.427 -1.252 20 30 DAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)c2c[nH]c(=O)cn2)C1=O ZINC001133009361 776650967 /nfs/dbraw/zinc/65/09/67/776650967.db2.gz BTEDVAJPESSEES-JTQLQIEISA-N 1 0 305.338 -1.124 20 30 DAEDRO C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@H]1CNC(=O)N1 ZINC001133112286 776652893 /nfs/dbraw/zinc/65/28/93/776652893.db2.gz YUPYJQUVGZPCAQ-LLVKDONJSA-N 1 0 311.386 -1.202 20 30 DAEDRO C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133120700 776655842 /nfs/dbraw/zinc/65/58/42/776655842.db2.gz BXFRDKQEISFINL-NSHDSACASA-N 1 0 309.370 -1.426 20 30 DAEDRO C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@H]1CNC(=O)N1 ZINC001133120699 776656174 /nfs/dbraw/zinc/65/61/74/776656174.db2.gz BXFRDKQEISFINL-LLVKDONJSA-N 1 0 309.370 -1.426 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCCS(N)(=O)=O ZINC001133164269 776659240 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C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CS(C)(=O)=O ZINC001133835388 776678421 /nfs/dbraw/zinc/67/84/21/776678421.db2.gz IVMPNYYBVRJBJB-GHMZBOCLSA-N 1 0 317.411 -1.347 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CS(C)(=O)=O ZINC001133835389 776678460 /nfs/dbraw/zinc/67/84/60/776678460.db2.gz IVMPNYYBVRJBJB-MNOVXSKESA-N 1 0 317.411 -1.347 20 30 DAEDRO COC(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001133790812 776678714 /nfs/dbraw/zinc/67/87/14/776678714.db2.gz UBNFGCRUNGGNGK-ZJUUUORDSA-N 1 0 313.358 -1.145 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CNC(=O)OC ZINC001133790698 776678781 /nfs/dbraw/zinc/67/87/81/776678781.db2.gz SXFXHAGLKSSBLP-GHMZBOCLSA-N 1 0 312.370 -1.035 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001133787749 776678842 /nfs/dbraw/zinc/67/88/42/776678842.db2.gz ZFFLUTQUQWGAAR-NEPJUHHUSA-N 1 0 324.381 -1.923 20 30 DAEDRO COCC#CC[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001133791386 776679458 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C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CN1CN=NC1=O ZINC001134135595 776692601 /nfs/dbraw/zinc/69/26/01/776692601.db2.gz VFCKZGGUWBYVIO-UWVGGRQHSA-N 1 0 323.357 -1.504 20 30 DAEDRO Cn1cc([C@@H]2C[C@H]2C(=O)NCC[NH2+]CC(=O)NCC#N)cn1 ZINC001134124124 776692926 /nfs/dbraw/zinc/69/29/26/776692926.db2.gz PDOHJXYDCIUKTP-NWDGAFQWSA-N 1 0 304.354 -1.131 20 30 DAEDRO CC(=O)N1CC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001134239797 776696533 /nfs/dbraw/zinc/69/65/33/776696533.db2.gz KBZPAYGSBFFLLB-MNOVXSKESA-N 1 0 323.397 -1.023 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134353052 776698917 /nfs/dbraw/zinc/69/89/17/776698917.db2.gz RHHRTKKGKWQBCU-SECBINFHSA-N 1 0 304.372 -2.621 20 30 DAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134352851 776699166 /nfs/dbraw/zinc/69/91/66/776699166.db2.gz OPUMJAYHGTXLRD-VIFPVBQESA-N 1 0 306.388 -2.068 20 30 DAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134360609 776700537 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C#CCNC(=O)C[NH2+]CCNC(=O)c1cc2ncccn2n1 ZINC001135584285 776763166 /nfs/dbraw/zinc/76/31/66/776763166.db2.gz CIKFJNHPQSXDQA-UHFFFAOYSA-N 1 0 300.322 -1.202 20 30 DAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cc2ncccn2n1 ZINC001135582814 776763254 /nfs/dbraw/zinc/76/32/54/776763254.db2.gz WYJBTNWYUWIMCC-UHFFFAOYSA-N 1 0 301.310 -1.312 20 30 DAEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cnn(C)n1 ZINC001135682802 776767753 /nfs/dbraw/zinc/76/77/53/776767753.db2.gz OJWQZEIXRBQDHH-VHSXEESVSA-N 1 0 307.358 -1.059 20 30 DAEDRO C[NH+](C)CCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O ZINC001090524727 776769771 /nfs/dbraw/zinc/76/97/71/776769771.db2.gz CHMJYUKZXRRHHT-VXGBXAGGSA-N 1 0 304.354 -1.034 20 30 DAEDRO Cn1ncc2cc(C(=O)NCC[NH2+]CC(=O)NCC#N)cnc21 ZINC001135786893 776770967 /nfs/dbraw/zinc/77/09/67/776770967.db2.gz SQNSVMRMYVKOFR-UHFFFAOYSA-N 1 0 315.337 -1.073 20 30 DAEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CCn1cnnn1 ZINC001135761463 776771078 /nfs/dbraw/zinc/77/10/78/776771078.db2.gz 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C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152420413 779693219 /nfs/dbraw/zinc/69/32/19/779693219.db2.gz GFOWAYSJCFIJHO-VIFPVBQESA-N 1 0 323.357 -2.227 20 30 DAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152420412 779693342 /nfs/dbraw/zinc/69/33/42/779693342.db2.gz GFOWAYSJCFIJHO-SECBINFHSA-N 1 0 323.357 -2.227 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CS(=O)(=O)CCCC ZINC001152602879 779693943 /nfs/dbraw/zinc/69/39/43/779693943.db2.gz AOWDVZFLJJBMLC-UHFFFAOYSA-N 1 0 317.411 -1.344 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)CS(C)(=O)=O ZINC001152610396 779694146 /nfs/dbraw/zinc/69/41/46/779694146.db2.gz RVVKXSLGOJXTOA-JTQLQIEISA-N 1 0 303.384 -1.878 20 30 DAEDRO CCCCS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001152604152 779694504 /nfs/dbraw/zinc/69/45/04/779694504.db2.gz WCKKGHNBGULYLA-UHFFFAOYSA-N 1 0 318.399 -1.453 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)CS(C)(=O)=O ZINC001152625992 779695637 /nfs/dbraw/zinc/69/56/37/779695637.db2.gz CFIZJCKJSQRITG-WDEREUQCSA-N 1 0 317.411 -1.489 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)CS(C)(=O)=O ZINC001152625990 779695690 /nfs/dbraw/zinc/69/56/90/779695690.db2.gz CFIZJCKJSQRITG-MNOVXSKESA-N 1 0 317.411 -1.489 20 30 DAEDRO C[C@@H](OC[C@@H]1CCCO1)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001153176042 779700785 /nfs/dbraw/zinc/70/07/85/779700785.db2.gz JUOFXHOLRVBSSQ-NEPJUHHUSA-N 1 0 312.370 -1.084 20 30 DAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1ccc(C(N)=O)cn1 ZINC001153372585 779702782 /nfs/dbraw/zinc/70/27/82/779702782.db2.gz LDXKSYGQMUXIIX-UHFFFAOYSA-N 1 0 305.338 -1.198 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](CCCC)NC(N)=O ZINC001153331453 779702946 /nfs/dbraw/zinc/70/29/46/779702946.db2.gz RRWJAFZFMFKYSM-LLVKDONJSA-N 1 0 311.386 -1.331 20 30 DAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(C(N)=O)cn1 ZINC001153372645 779703514 /nfs/dbraw/zinc/70/35/14/779703514.db2.gz MQXFJMONRHFUDX-UHFFFAOYSA-N 1 0 304.310 -1.860 20 30 DAEDRO CC(C)[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)N1CCCC1=O ZINC001153420700 779705181 /nfs/dbraw/zinc/70/51/81/779705181.db2.gz MYISIVZYCNTAFJ-AWEZNQCLSA-N 1 0 323.397 -1.021 20 30 DAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1ccc(C(N)=O)nc1 ZINC001153521007 779706481 /nfs/dbraw/zinc/70/64/81/779706481.db2.gz WRNOMNPZNHTAJP-UHFFFAOYSA-N 1 0 305.338 -1.198 20 30 DAEDRO COc1ncnc(OC)c1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001153598524 779707568 /nfs/dbraw/zinc/70/75/68/779707568.db2.gz QKBSRJTUOVXFMQ-UHFFFAOYSA-N 1 0 322.325 -1.547 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](NC(C)=O)C(C)(C)C ZINC001153719465 779709524 /nfs/dbraw/zinc/70/95/24/779709524.db2.gz FPPJPEWECXWJOG-CYBMUJFWSA-N 1 0 310.398 -1.008 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](CC(C)C)C(N)=O ZINC001153783103 779710698 /nfs/dbraw/zinc/71/06/98/779710698.db2.gz ZTVRROAWCZZXKW-RYUDHWBXSA-N 1 0 310.398 -1.022 20 30 DAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)C[C@@H]2CC(=O)NC2=O)C1=O ZINC001153882713 779712437 /nfs/dbraw/zinc/71/24/37/779712437.db2.gz MULAVKVSEVSVDM-MNOVXSKESA-N 1 0 322.365 -1.468 20 30 DAEDRO C[C@]1(CCC(=O)NCC[NH2+]CC(=O)NCC#N)CCC(=O)N1 ZINC001153911140 779715413 /nfs/dbraw/zinc/71/54/13/779715413.db2.gz HOMATWOFGQOKLG-AWEZNQCLSA-N 1 0 309.370 -1.219 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cc(C(N)=O)ccn1 ZINC001153930322 779715454 /nfs/dbraw/zinc/71/54/54/779715454.db2.gz XBTBGFLUFCSFPD-UHFFFAOYSA-N 1 0 303.322 -1.751 20 30 DAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)Cn1cnnn1 ZINC001154502084 779722245 /nfs/dbraw/zinc/72/22/45/779722245.db2.gz ARXARVALJUXYIK-UHFFFAOYSA-N 1 0 324.345 -2.219 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CCn1cncn1 ZINC001154705775 779726358 /nfs/dbraw/zinc/72/63/58/779726358.db2.gz DVQLGBBGZDZCKQ-LBPRGKRZSA-N 1 0 306.370 -1.098 20 30 DAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CS(C)(=O)=O ZINC001155324174 779731066 /nfs/dbraw/zinc/73/10/66/779731066.db2.gz KLWDMLLPLZOFOE-SNVBAGLBSA-N 1 0 305.400 -1.182 20 30 DAEDRO C#CC[N@@H+](CC)[C@H](C)CNC(=O)CNS(=O)(=O)N(C)C ZINC001155528226 779732964 /nfs/dbraw/zinc/73/29/64/779732964.db2.gz 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ZINC001229475806 780355737 /nfs/dbraw/zinc/35/57/37/780355737.db2.gz BBQLBSURXSMPAJ-ZDUSSCGKSA-N 1 0 308.382 -1.030 20 30 DAEDRO C=CCNC(=O)C[N@@H+](C)C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001277423023 780359628 /nfs/dbraw/zinc/35/96/28/780359628.db2.gz LEMOTAHYQPTPBK-GFCCVEGCSA-N 1 0 323.397 -1.107 20 30 DAEDRO N#CCNC(=O)CN1CCC(NC(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001230083525 780360996 /nfs/dbraw/zinc/36/09/96/780360996.db2.gz ODQVUQYOQVFCGA-NSHDSACASA-N 1 0 307.354 -1.515 20 30 DAEDRO CNS(=O)(=O)CC(=O)NC1CC[NH+](CC#CCOC)CC1 ZINC001230285035 780362858 /nfs/dbraw/zinc/36/28/58/780362858.db2.gz IDLVMLMATHETRZ-UHFFFAOYSA-N 1 0 317.411 -1.234 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C1CC1)N(C)C(=O)CC(N)=O ZINC001277629095 780386452 /nfs/dbraw/zinc/38/64/52/780386452.db2.gz DONBVRUFSHATJO-PWSUYJOCSA-N 1 0 308.382 -1.174 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](C)NC(N)=O ZINC001277636129 780386709 /nfs/dbraw/zinc/38/67/09/780386709.db2.gz BULHTJLQOYROKE-CMPLNLGQSA-N 1 0 323.397 -1.381 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](C)NC(N)=O ZINC001277636130 780387724 /nfs/dbraw/zinc/38/77/24/780387724.db2.gz BULHTJLQOYROKE-JQWIXIFHSA-N 1 0 323.397 -1.381 20 30 DAEDRO CN(C(=O)[C@H]1CCNC1=O)[C@@H](C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001277677378 780387930 /nfs/dbraw/zinc/38/79/30/780387930.db2.gz HELLMIMRYLJPOK-RYUDHWBXSA-N 1 0 321.381 -1.411 20 30 DAEDRO CN(C(=O)[C@H]1CCNC1=O)[C@H](C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001277677377 780389266 /nfs/dbraw/zinc/38/92/66/780389266.db2.gz HELLMIMRYLJPOK-NWDGAFQWSA-N 1 0 321.381 -1.411 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1cn[nH]n1 ZINC001277662674 780389489 /nfs/dbraw/zinc/38/94/89/780389489.db2.gz MAPZLBBZZLCYDS-LBPRGKRZSA-N 1 0 304.354 -1.006 20 30 DAEDRO CN(C(=O)[C@@H]1CNC(=O)N1)[C@H](C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001277684723 780389538 /nfs/dbraw/zinc/38/95/38/780389538.db2.gz OGFUKBHASFZBHB-WDEREUQCSA-N 1 0 322.369 -1.866 20 30 DAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)Cn1cnnn1 ZINC001277751328 780391661 /nfs/dbraw/zinc/39/16/61/780391661.db2.gz LEHVABNHUCCOAC-MNOVXSKESA-N 1 0 309.374 -1.200 20 30 DAEDRO C=CCN1CC[C@H]([N@H+](C)CCCNC(=O)CNC(N)=O)C1=O ZINC001233713265 780392690 /nfs/dbraw/zinc/39/26/90/780392690.db2.gz MWEGSCCFMCMGOM-NSHDSACASA-N 1 0 311.386 -1.120 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CCn1cncn1 ZINC001277805535 780394911 /nfs/dbraw/zinc/39/49/11/780394911.db2.gz USRGYAFLUXKNPH-CYBMUJFWSA-N 1 0 318.381 -1.002 20 30 DAEDRO Cc1nnc(CC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NCC#N)[nH]1 ZINC001277820017 780401978 /nfs/dbraw/zinc/40/19/78/780401978.db2.gz VAGFNECVVJSCTF-SECBINFHSA-N 1 0 307.358 -1.268 20 30 DAEDRO C#CCNC(=O)[C@H](C)[N@H+](C)CCCNC(=O)[C@H]1COCCO1 ZINC001234243999 780404505 /nfs/dbraw/zinc/40/45/05/780404505.db2.gz MDAGKDNATXKKKJ-QWHCGFSZSA-N 1 0 311.382 -1.022 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CCn1ccnn1 ZINC001277837723 780404515 /nfs/dbraw/zinc/40/45/15/780404515.db2.gz CJAWWIYCAQRYKG-ZDUSSCGKSA-N 1 0 318.381 -1.002 20 30 DAEDRO C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)Cc1nnc(C)[nH]1 ZINC001234206583 780404664 /nfs/dbraw/zinc/40/46/64/780404664.db2.gz RQKSJXQMCKIILB-GFCCVEGCSA-N 1 0 318.381 -1.062 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)c1cnn(C)c1N ZINC001277837644 780404696 /nfs/dbraw/zinc/40/46/96/780404696.db2.gz BHNCOANNUPSGJP-LLVKDONJSA-N 1 0 318.381 -1.054 20 30 DAEDRO C=CCNC(=O)[C@H](C)N1CC[C@@H]1CN(C)C(=O)Cn1ncnn1 ZINC001234366709 780405588 /nfs/dbraw/zinc/40/55/88/780405588.db2.gz OCEJFJIWLSJXRI-NWDGAFQWSA-N 1 0 321.385 -1.104 20 30 DAEDRO C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001234415004 780408681 /nfs/dbraw/zinc/40/86/81/780408681.db2.gz QWMSIVAZIDHLJL-NSHDSACASA-N 1 0 304.354 -1.067 20 30 DAEDRO C#CCNC(=O)[C@H](C)N1CC[C@@H]1CN(C)C(=O)Cn1nccn1 ZINC001234583103 780409805 /nfs/dbraw/zinc/40/98/05/780409805.db2.gz HWEJBCJFNCWVHV-QWHCGFSZSA-N 1 0 318.381 -1.051 20 30 DAEDRO C[C@@H](CN(C)C(=O)[C@H](C)S(C)(=O)=O)[NH2+]CC(=O)NCC#N ZINC001277863897 780410413 /nfs/dbraw/zinc/41/04/13/780410413.db2.gz SGSLFRQXVNLDLR-UWVGGRQHSA-N 1 0 318.399 -1.504 20 30 DAEDRO C[C@H](CN(C)C(=O)[C@@H](C)S(C)(=O)=O)[NH2+]CC(=O)NCC#N ZINC001277863896 780410959 /nfs/dbraw/zinc/41/09/59/780410959.db2.gz SGSLFRQXVNLDLR-NXEZZACHSA-N 1 0 318.399 -1.504 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)CNC(=O)OC ZINC001234512017 780410971 /nfs/dbraw/zinc/41/09/71/780410971.db2.gz CPUKEEPICRTSIX-LLVKDONJSA-N 1 0 312.370 -1.082 20 30 DAEDRO C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001277906279 780411624 /nfs/dbraw/zinc/41/16/24/780411624.db2.gz AMOJFZUOBDVJAI-MNOVXSKESA-N 1 0 311.386 -1.251 20 30 DAEDRO COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)Cn1ncn(C)c1=O ZINC001277883380 780412106 /nfs/dbraw/zinc/41/21/06/780412106.db2.gz HBJKDJPSUXPCLP-ZDUSSCGKSA-N 1 0 321.381 -1.188 20 30 DAEDRO C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001277906281 780412314 /nfs/dbraw/zinc/41/23/14/780412314.db2.gz AMOJFZUOBDVJAI-QWRGUYRKSA-N 1 0 311.386 -1.251 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CCn1cnnn1 ZINC001277965881 780417998 /nfs/dbraw/zinc/41/79/98/780417998.db2.gz PCGQERKMGOITSD-LBPRGKRZSA-N 1 0 319.369 -1.607 20 30 DAEDRO N#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)Cc1cccs1 ZINC001278040979 780422397 /nfs/dbraw/zinc/42/23/97/780422397.db2.gz GTCRMVCTYPJDNA-JTQLQIEISA-N 1 0 310.379 -1.003 20 30 DAEDRO N#CCSCC(=O)NC[C@H](CO)[NH2+][C@H]1CCCNC1=O ZINC001278048310 780424208 /nfs/dbraw/zinc/42/42/08/780424208.db2.gz OMDIXSIAAPWXEA-ZJUUUORDSA-N 1 0 300.384 -1.412 20 30 DAEDRO C=CCN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)c2cn(C)nn2)C1=O ZINC001278070584 780425325 /nfs/dbraw/zinc/42/53/25/780425325.db2.gz JOLZFZVCTIYPPF-MNOVXSKESA-N 1 0 322.369 -1.718 20 30 DAEDRO CC(C)C#CC(=O)NC[C@H](CO)[NH2+]CCN1C(=O)CCC1=O ZINC001278077445 780425474 /nfs/dbraw/zinc/42/54/74/780425474.db2.gz JIAKSBRNVAPSGS-GFCCVEGCSA-N 1 0 309.366 -1.139 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)c1cnnc(C)c1 ZINC001278071813 780425716 /nfs/dbraw/zinc/42/57/16/780425716.db2.gz QIGWNGZPRYRFBQ-AAEUAGOBSA-N 1 0 319.365 -1.397 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cc(C)sn1 ZINC001278070324 780425789 /nfs/dbraw/zinc/42/57/89/780425789.db2.gz IJFOFGCHAJRDLE-SNVBAGLBSA-N 1 0 310.379 -1.119 20 30 DAEDRO N#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)CC1CCOCC1 ZINC001278063117 780425930 /nfs/dbraw/zinc/42/59/30/780425930.db2.gz ZHCRMKDVHDCVHT-LBPRGKRZSA-N 1 0 312.370 -1.490 20 30 DAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)CC1(CS(C)(=O)=O)CC1 ZINC001278077467 780425944 /nfs/dbraw/zinc/42/59/44/780425944.db2.gz JMOXBVCTMLYIPD-LLVKDONJSA-N 1 0 302.396 -1.099 20 30 DAEDRO CCS(=O)(=O)NCC[NH2+][C@H](CO)CNC(=O)C#CC(C)C ZINC001278076763 780426005 /nfs/dbraw/zinc/42/60/05/780426005.db2.gz AWCXIJHNZGPUCO-LBPRGKRZSA-N 1 0 319.427 -1.348 20 30 DAEDRO O=C(C#CC1CC1)NC[C@@H](CO)[NH2+]CC(=O)N1CCOCC1 ZINC001278077506 780426866 /nfs/dbraw/zinc/42/68/66/780426866.db2.gz JYZGMMRCSYSBJA-ZDUSSCGKSA-N 1 0 309.366 -1.675 20 30 DAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1cnc2n1CCOC2 ZINC001278099150 780427866 /nfs/dbraw/zinc/42/78/66/780427866.db2.gz FEBDYDOMEKMRMW-LBPRGKRZSA-N 1 0 322.365 -1.257 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@]1(CC)CCNC1=O ZINC001278099152 780427985 /nfs/dbraw/zinc/42/79/85/780427985.db2.gz FGXIOISNFKRIQF-IAQYHMDHSA-N 1 0 324.381 -2.281 20 30 DAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1ccnc(OC)n1 ZINC001278111448 780428937 /nfs/dbraw/zinc/42/89/37/780428937.db2.gz AZXNMZYEAPHFQG-LLVKDONJSA-N 1 0 308.338 -1.185 20 30 DAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)CN1CCCCC1=O ZINC001278106410 780429286 /nfs/dbraw/zinc/42/92/86/780429286.db2.gz YOBWWAFUWGGPIV-ZDUSSCGKSA-N 1 0 311.382 -1.285 20 30 DAEDRO C#CCN(C(=O)CC(N)=O)C1CC[NH+](C[C@@H](O)COC)CC1 ZINC001278137280 780430760 /nfs/dbraw/zinc/43/07/60/780430760.db2.gz MAQRTSJRAZCZCU-CYBMUJFWSA-N 1 0 311.382 -1.205 20 30 DAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)C1CCS(=O)(=O)CC1 ZINC001278164875 780431800 /nfs/dbraw/zinc/43/18/00/780431800.db2.gz OQOCVJBMXXVIPT-LBPRGKRZSA-N 1 0 302.396 -1.099 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1ccn(CC)n1 ZINC001278165124 780431989 /nfs/dbraw/zinc/43/19/89/780431989.db2.gz UDPFBHOSSSQMMQ-NSHDSACASA-N 1 0 307.354 -1.667 20 30 DAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)C1CCS(=O)(=O)CC1 ZINC001278164874 780432011 /nfs/dbraw/zinc/43/20/11/780432011.db2.gz OQOCVJBMXXVIPT-GFCCVEGCSA-N 1 0 302.396 -1.099 20 30 DAEDRO C=CCn1cc(C(=O)NC[C@@H](CO)[NH2+][C@H]2CCNC2=O)nn1 ZINC001278164373 780432278 /nfs/dbraw/zinc/43/22/78/780432278.db2.gz DBNKQHGNOKNFLK-UWVGGRQHSA-N 1 0 308.342 -1.967 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cccc(=O)n1C ZINC001278148467 780432457 /nfs/dbraw/zinc/43/24/57/780432457.db2.gz VRODWUPRRRIDPI-LLVKDONJSA-N 1 0 320.349 -2.185 20 30 DAEDRO C=CCN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)c2cccnn2)C1=O ZINC001278171470 780433162 /nfs/dbraw/zinc/43/31/62/780433162.db2.gz HMNSTOKHPWKVIR-DGCLKSJQSA-N 1 0 319.365 -1.056 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)Cn1nccc1C ZINC001278165728 780433178 /nfs/dbraw/zinc/43/31/78/780433178.db2.gz ZFMJFXXUSYYLAH-QWHCGFSZSA-N 1 0 321.381 -1.604 20 30 DAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1ccc(OC)nn1 ZINC001278178361 780433478 /nfs/dbraw/zinc/43/34/78/780433478.db2.gz DXYMCZGCPYBNFP-NSHDSACASA-N 1 0 308.338 -1.185 20 30 DAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1ccc(OC)nn1 ZINC001278178360 780433485 /nfs/dbraw/zinc/43/34/85/780433485.db2.gz DXYMCZGCPYBNFP-LLVKDONJSA-N 1 0 308.338 -1.185 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1ncccc1F ZINC001278171361 780433552 /nfs/dbraw/zinc/43/35/52/780433552.db2.gz FQYCZGCFWZMUEA-JTQLQIEISA-N 1 0 308.313 -1.350 20 30 DAEDRO N#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ncccc1F ZINC001278172095 780433562 /nfs/dbraw/zinc/43/35/62/780433562.db2.gz QGVKWELOFUJQQW-SECBINFHSA-N 1 0 309.301 -1.459 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)C1(C(=O)NC)CC1 ZINC001278171072 780433620 /nfs/dbraw/zinc/43/36/20/780433620.db2.gz AQSRIHKERTWHBG-WDEREUQCSA-N 1 0 324.381 -2.283 20 30 DAEDRO C=CCN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)Cc2nc[nH]n2)C1=O ZINC001278179148 780434060 /nfs/dbraw/zinc/43/40/60/780434060.db2.gz NWWMBAPDKKMFJE-WDEREUQCSA-N 1 0 322.369 -1.799 20 30 DAEDRO C=CC[NH2+][C@H](CO)CNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001278178796 780434154 /nfs/dbraw/zinc/43/41/54/780434154.db2.gz LBMMCLOEUMGTSI-NSHDSACASA-N 1 0 309.370 -1.366 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)c1[nH]cnc1C ZINC001278212578 780436613 /nfs/dbraw/zinc/43/66/13/780436613.db2.gz KUJYXQHAINKCGD-MNOVXSKESA-N 1 0 307.354 -1.464 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)Cn1ccnc1 ZINC001278212538 780436779 /nfs/dbraw/zinc/43/67/79/780436779.db2.gz KBTRUSOOBQJNQH-NWDGAFQWSA-N 1 0 307.354 -1.912 20 30 DAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1ccc(C(N)=O)nc1 ZINC001278213280 780437223 /nfs/dbraw/zinc/43/72/23/780437223.db2.gz NVTFIIUTCYWUEU-GFCCVEGCSA-N 1 0 320.349 -1.489 20 30 DAEDRO C[N@@H+]1C[C@H]2C(=O)NC3(CCN(S(=O)(=O)CC#N)CC3)[C@@H]2C1 ZINC001278256724 780437822 /nfs/dbraw/zinc/43/78/22/780437822.db2.gz RZANETWIWOWAHL-GHMZBOCLSA-N 1 0 312.395 -1.018 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC(=O)NCC)[C@@H]1C ZINC001278242582 780437919 /nfs/dbraw/zinc/43/79/19/780437919.db2.gz HJDLANGRMBUBQM-VXGBXAGGSA-N 1 0 308.382 -1.159 20 30 DAEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)[C@H]1C ZINC001278275281 780438858 /nfs/dbraw/zinc/43/88/58/780438858.db2.gz VQSLAVURFIHISL-WCQYABFASA-N 1 0 308.382 -1.159 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CC(=O)NCC)C1 ZINC001278363837 780444651 /nfs/dbraw/zinc/44/46/51/780444651.db2.gz IJDFLYHZHKYFTQ-NEPJUHHUSA-N 1 0 308.382 -1.159 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CC(=O)NCC)C1 ZINC001278363842 780444832 /nfs/dbraw/zinc/44/48/32/780444832.db2.gz IJDFLYHZHKYFTQ-RYUDHWBXSA-N 1 0 308.382 -1.159 20 30 DAEDRO C#CC[N@H+]1CC[C@H](N2CCN(C(=O)CNC(=O)NC)CC2)C1 ZINC001278341400 780444911 /nfs/dbraw/zinc/44/49/11/780444911.db2.gz HZQRQJAJLIATGL-ZDUSSCGKSA-N 1 0 307.398 -1.233 20 30 DAEDRO C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CS(C)(=O)=O)C1 ZINC001278357501 780445199 /nfs/dbraw/zinc/44/51/99/780445199.db2.gz VKIXCDVBPFJPQZ-GHMZBOCLSA-N 1 0 317.411 -1.088 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC(=O)NCC)C1 ZINC001278363855 780445345 /nfs/dbraw/zinc/44/53/45/780445345.db2.gz IJDFLYHZHKYFTQ-VXGBXAGGSA-N 1 0 308.382 -1.159 20 30 DAEDRO CC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CNS(=O)(=O)NC)C1 ZINC001278391478 780446378 /nfs/dbraw/zinc/44/63/78/780446378.db2.gz OWXAEZIPIPIWMO-MNOVXSKESA-N 1 0 302.400 -1.358 20 30 DAEDRO CC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CNS(=O)(=O)NC)C1 ZINC001278391480 780446470 /nfs/dbraw/zinc/44/64/70/780446470.db2.gz OWXAEZIPIPIWMO-WDEREUQCSA-N 1 0 302.400 -1.358 20 30 DAEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001278370093 780446852 /nfs/dbraw/zinc/44/68/52/780446852.db2.gz DERPDUDVAPDFBZ-VXGBXAGGSA-N 1 0 316.427 -1.063 20 30 DAEDRO C#CCOCCC(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)C[C@H]1C ZINC001278370719 780446886 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20 30 DAEDRO COCC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001278427488 780449340 /nfs/dbraw/zinc/44/93/40/780449340.db2.gz VHUSXKCESMOYTK-XHDPSFHLSA-N 1 0 322.365 -1.185 20 30 DAEDRO C#CCNC(=O)C[N@@H+]1CC[C@@]2(NC(=O)CNC(C)=O)CCC[C@H]12 ZINC001278430194 780449694 /nfs/dbraw/zinc/44/96/94/780449694.db2.gz GJAOCHPYKQNFJZ-BBRMVZONSA-N 1 0 320.393 -1.015 20 30 DAEDRO CCC(=O)NCC(=O)N1CC[C@@](C)(C[NH2+]CC(=O)NCC#N)C1 ZINC001278469930 780458127 /nfs/dbraw/zinc/45/81/27/780458127.db2.gz ORDPQNZMQLBZPQ-HNNXBMFYSA-N 1 0 323.397 -1.019 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)c2nc[nH]n2)C1 ZINC001278562393 780462340 /nfs/dbraw/zinc/46/23/40/780462340.db2.gz OPACXYYAYZYUCR-AWEZNQCLSA-N 1 0 304.354 -1.004 20 30 DAEDRO Cn1cnc(C(=O)N[C@H]2CC[C@H](C[NH2+]CC(=O)NCC#N)C2)n1 ZINC001278558583 780462623 /nfs/dbraw/zinc/46/26/23/780462623.db2.gz KNBOGUUTSGGVNO-QWRGUYRKSA-N 1 0 319.369 -1.057 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCNC(N)=O)C1 ZINC001278612972 780462641 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DAEDRO C=CCC[C@H](O)C[NH2+]CCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC001252625392 780473159 /nfs/dbraw/zinc/47/31/59/780473159.db2.gz WADHKKWEGTVGKL-DHRKEOQWSA-N 1 0 305.371 -1.253 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCNC(N)=O)CC1(C)C ZINC001278690876 780475395 /nfs/dbraw/zinc/47/53/95/780475395.db2.gz VKXRINUIDWISDL-LLVKDONJSA-N 1 0 323.397 -1.379 20 30 DAEDRO CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C(=O)c1cnns1 ZINC001278730189 780476131 /nfs/dbraw/zinc/47/61/31/780476131.db2.gz CCQPZMPXEPKPLP-MRVPVSSYSA-N 1 0 312.355 -1.800 20 30 DAEDRO C=C[C@@H](O)C[NH2+][C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001253616270 780476867 /nfs/dbraw/zinc/47/68/67/780476867.db2.gz RDWMFAUBBGZLNA-RDBSUJKOSA-N 1 0 321.377 -1.303 20 30 DAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1cc[n+]([O-])cc1 ZINC001278721873 780477055 /nfs/dbraw/zinc/47/70/55/780477055.db2.gz SCMDLUJBSLIUOD-ZDUSSCGKSA-N 1 0 322.365 -1.355 20 30 DAEDRO C=CC[NH2+]C1(CNC(=O)CS(=O)(=O)NC)CCOCC1 ZINC001278733083 780477226 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COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C)n1cncn1 ZINC001278750830 780478880 /nfs/dbraw/zinc/47/88/80/780478880.db2.gz UPLVDCYGEXOEET-OLZOCXBDSA-N 1 0 309.370 -1.102 20 30 DAEDRO C#CCCCC(=O)N(C)C[C@@H](O)C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001278749085 780479103 /nfs/dbraw/zinc/47/91/03/780479103.db2.gz GIZOBYMRDBKWDS-QWRGUYRKSA-N 1 0 312.370 -1.218 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)c1cnnn1C ZINC001278750784 780479162 /nfs/dbraw/zinc/47/91/62/780479162.db2.gz TWPJZJTWGZXWOD-WDEREUQCSA-N 1 0 322.369 -2.025 20 30 DAEDRO COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)C1CN(C(C)=O)C1 ZINC001278750577 780479241 /nfs/dbraw/zinc/47/92/41/780479241.db2.gz RCOBNCZWBGOTJM-AWEZNQCLSA-N 1 0 311.382 -1.477 20 30 DAEDRO C#CCCCC(=O)N(C)C[C@@H](O)C[NH2+][C@H](C)C(=O)NC(N)=O ZINC001278749083 780479258 /nfs/dbraw/zinc/47/92/58/780479258.db2.gz GIZOBYMRDBKWDS-MNOVXSKESA-N 1 0 312.370 -1.218 20 30 DAEDRO COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)Cc1nnc(C)[nH]1 ZINC001278756231 780480055 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CC#CC[NH2+][C@@H](CO)CNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001283815599 780779744 /nfs/dbraw/zinc/77/97/44/780779744.db2.gz MMPPWRMWPZINMA-LLVKDONJSA-N 1 0 308.338 -1.983 20 30 DAEDRO C#Cc1ccc(C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N)nc1 ZINC001283818563 780780482 /nfs/dbraw/zinc/78/04/82/780780482.db2.gz QVAKBTVKKIMRDJ-GFCCVEGCSA-N 1 0 315.333 -1.617 20 30 DAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1cnn2cc[nH]c12 ZINC001283823375 780780846 /nfs/dbraw/zinc/78/08/46/780780846.db2.gz GRLPGMCGKCMVRF-LLVKDONJSA-N 1 0 305.338 -1.008 20 30 DAEDRO CCn1nc(C)c(C(=O)NC[C@@H](CO)[NH2+]CC#CCOC)n1 ZINC001283831956 780782099 /nfs/dbraw/zinc/78/20/99/780782099.db2.gz QBSGJEGBNKBRDB-LBPRGKRZSA-N 1 0 309.370 -1.063 20 30 DAEDRO C#CCNC(=O)CN[C@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001283832829 780783770 /nfs/dbraw/zinc/78/37/70/780783770.db2.gz XTDSFMSITGWZIW-UONOGXRCSA-N 1 0 324.425 -1.323 20 30 DAEDRO C=CCN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)c2nonc2C)C1=O ZINC001283832292 780783914 /nfs/dbraw/zinc/78/39/14/780783914.db2.gz 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COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)CNC(=O)OC ZINC001284388395 780810830 /nfs/dbraw/zinc/81/08/30/780810830.db2.gz PAEJDGBUMOFYOS-LLVKDONJSA-N 1 0 301.343 -1.599 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1cc(C)nn1C ZINC001284389720 780811505 /nfs/dbraw/zinc/81/15/05/780811505.db2.gz SLBCROZAYYEHAB-LBPRGKRZSA-N 1 0 321.381 -1.500 20 30 DAEDRO Cc1ncncc1C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001284392045 780811991 /nfs/dbraw/zinc/81/19/91/780811991.db2.gz YZWSWSAYDOKBEF-LLVKDONJSA-N 1 0 320.353 -1.553 20 30 DAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1cn(C)nn1 ZINC001284400410 780812346 /nfs/dbraw/zinc/81/23/46/780812346.db2.gz KURGLTKGUMCPJG-JTQLQIEISA-N 1 0 310.358 -1.860 20 30 DAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1COC(=O)N1 ZINC001284400424 780812714 /nfs/dbraw/zinc/81/27/14/780812714.db2.gz LCKUZWARTLDZDX-NXEZZACHSA-N 1 0 314.342 -2.194 20 30 DAEDRO CC(C)C#CC(=O)N(C)C[C@H](O)C[NH2+]CCN1C(=O)CNC1=O ZINC001284404099 780813104 /nfs/dbraw/zinc/81/31/04/780813104.db2.gz WDZUUOISFPHDAV-GFCCVEGCSA-N 1 0 324.381 -1.394 20 30 DAEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)CN(C)S(C)(=O)=O ZINC001284417839 780813682 /nfs/dbraw/zinc/81/36/82/780813682.db2.gz YBBYPLOHPNKAIW-NSHDSACASA-N 1 0 305.400 -1.690 20 30 DAEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)CN1CCCS1(=O)=O ZINC001284417818 780814345 /nfs/dbraw/zinc/81/43/45/780814345.db2.gz XLNOVOWOPJNRQN-LLVKDONJSA-N 1 0 305.400 -1.383 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCN(C)C1=O ZINC001284436998 780816327 /nfs/dbraw/zinc/81/63/27/780816327.db2.gz VXFNEAOLXPJQPG-RYUDHWBXSA-N 1 0 324.381 -2.377 20 30 DAEDRO Cc1n[nH]cc1C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001284438143 780816607 /nfs/dbraw/zinc/81/66/07/780816607.db2.gz FQOJTSIKQCNBNA-JTQLQIEISA-N 1 0 308.342 -1.620 20 30 DAEDRO COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@]1(C)CCNC1=O ZINC001284448182 780818271 /nfs/dbraw/zinc/81/82/71/780818271.db2.gz LZKZKAFNOHHLDN-IUODEOHRSA-N 1 0 311.382 -1.429 20 30 DAEDRO C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC001284447494 780818582 /nfs/dbraw/zinc/81/85/82/780818582.db2.gz VJANWDTVMGRDKT-GHMZBOCLSA-N 1 0 307.416 -1.091 20 30 DAEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001284460009 780819215 /nfs/dbraw/zinc/81/92/15/780819215.db2.gz OOJGQFGSPTVYBQ-QWRGUYRKSA-N 1 0 324.385 -1.472 20 30 DAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)CCS(=O)(=O)N(C)C ZINC001284471020 780819499 /nfs/dbraw/zinc/81/94/99/780819499.db2.gz YTOLGLXMQZMDIX-LLVKDONJSA-N 1 0 305.400 -1.690 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1ncc[nH]1 ZINC001284460741 780819509 /nfs/dbraw/zinc/81/95/09/780819509.db2.gz USQSGDLVQADNSV-LLVKDONJSA-N 1 0 307.354 -1.890 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001284459638 780820074 /nfs/dbraw/zinc/82/00/74/780820074.db2.gz HOMJYOGYYPHPQX-WDEREUQCSA-N 1 0 322.369 -2.025 20 30 DAEDRO CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001284491317 780821320 /nfs/dbraw/zinc/82/13/20/780821320.db2.gz AJWMDVHCYBOMLJ-NSHDSACASA-N 1 0 322.369 -1.849 20 30 DAEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CNC(=O)CNC(C)=O ZINC001284502521 780823671 /nfs/dbraw/zinc/82/36/71/780823671.db2.gz PYJXIEIJSIUCPN-LBPRGKRZSA-N 1 0 312.370 -2.377 20 30 DAEDRO C#CCNC(=O)CN(C)CCN(C(=O)[C@@H]1CNC(=O)N1)C(C)C ZINC001284544722 780826624 /nfs/dbraw/zinc/82/66/24/780826624.db2.gz JRCFOIXFMYPCLP-LBPRGKRZSA-N 1 0 323.397 -1.414 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C1CC(N(C)C(=O)CNC(=O)NC)C1 ZINC001284770687 780837564 /nfs/dbraw/zinc/83/75/64/780837564.db2.gz GZYHBNIDNLIKMK-VOMCLLRMSA-N 1 0 323.397 -1.368 20 30 DAEDRO C#CCNC(=O)C[NH2+]C1CC(N(C)C(=O)C[C@H]2CCNC2=O)C1 ZINC001284771420 780837583 /nfs/dbraw/zinc/83/75/83/780837583.db2.gz QGXAZBMRNMLKEE-PNESKVBLSA-N 1 0 320.393 -1.159 20 30 DAEDRO C#CCNC(=O)C[NH2+]C1CC(N(C)C(=O)CNC(=O)C2CC2)C1 ZINC001284744484 780837923 /nfs/dbraw/zinc/83/79/23/780837923.db2.gz LOPRVCWAMPAOQH-UHFFFAOYSA-N 1 0 320.393 -1.159 20 30 DAEDRO C#CCNC(=O)C[NH2+]C1CC(N(C)C(=O)C[C@@H]2CCNC2=O)C1 ZINC001284771419 780838562 /nfs/dbraw/zinc/83/85/62/780838562.db2.gz QGXAZBMRNMLKEE-HIFPTAJRSA-N 1 0 320.393 -1.159 20 30 DAEDRO CN(C(=O)Cn1cncn1)C1CC([NH2+]CC(=O)NCC#N)C1 ZINC001284818193 780839177 /nfs/dbraw/zinc/83/91/77/780839177.db2.gz GEETYAXXJQQZPC-UHFFFAOYSA-N 1 0 305.342 -1.503 20 30 DAEDRO C#CCNC(=O)C[NH2+]C1CC(N(C)C(=O)Cc2nnc[nH]2)C1 ZINC001284813048 780839822 /nfs/dbraw/zinc/83/98/22/780839822.db2.gz PIARKDFWYVJOEL-UHFFFAOYSA-N 1 0 304.354 -1.324 20 30 DAEDRO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](CNC(=O)C(N)=O)C2)CC1 ZINC001286455519 780914347 /nfs/dbraw/zinc/91/43/47/780914347.db2.gz TYEOJUFHQXSUFK-AULYBMBSSA-N 1 0 320.393 -1.172 20 30 DAEDRO C#CC[NH+]1CCC(C(=O)N[C@H](CO)CNC(=O)C(N)=O)CC1 ZINC001287833118 780933607 /nfs/dbraw/zinc/93/36/07/780933607.db2.gz KWMSEHPBSPXEST-NSHDSACASA-N 1 0 310.354 -2.590 20 30 DAEDRO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](O)C1 ZINC001090829494 781351610 /nfs/dbraw/zinc/35/16/10/781351610.db2.gz BWQXOBLNWABHLA-CMPLNLGQSA-N 1 0 322.369 -1.496 20 30 DAEDRO C=CCC[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](O)C1 ZINC001090833365 781351988 /nfs/dbraw/zinc/35/19/88/781351988.db2.gz LPCUJVUCUUSMPQ-JQWIXIFHSA-N 1 0 322.369 -1.496 20 30 DAEDRO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](O)C1 ZINC001090829496 781352214 /nfs/dbraw/zinc/35/22/14/781352214.db2.gz BWQXOBLNWABHLA-PWSUYJOCSA-N 1 0 322.369 -1.496 20 30 DAEDRO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](O)C1 ZINC001090829495 781353494 /nfs/dbraw/zinc/35/34/94/781353494.db2.gz BWQXOBLNWABHLA-JQWIXIFHSA-N 1 0 322.369 -1.496 20 30 DAEDRO C#CCNC(=O)CC(=O)NCC1CC([NH2+]CCOCCO)C1 ZINC001100262981 781377809 /nfs/dbraw/zinc/37/78/09/781377809.db2.gz PYZZSHXOFDLFJN-UHFFFAOYSA-N 1 0 311.382 -1.381 20 30 DAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)COCc1ncnn1C ZINC001146190935 781409997 /nfs/dbraw/zinc/40/99/97/781409997.db2.gz OKFIOAZAWCCBBT-UHFFFAOYSA-N 1 0 310.358 -1.660 20 30 DAEDRO Cn1cnnc1COCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001146200683 781410491 /nfs/dbraw/zinc/41/04/91/781410491.db2.gz NCALEOXOGIKDOV-UHFFFAOYSA-N 1 0 309.330 -2.323 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)COCc1ncnn1C ZINC001146190774 781410849 /nfs/dbraw/zinc/41/08/49/781410849.db2.gz LSXMHNLLCZGFNV-UHFFFAOYSA-N 1 0 308.342 -2.213 20 30 DAEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CCNC(N)=O ZINC001146215193 781411907 /nfs/dbraw/zinc/41/19/07/781411907.db2.gz AWHUZRVIEWFWPR-VHSXEESVSA-N 1 0 312.374 -1.443 20 30 DAEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CCNC(N)=O ZINC001146215184 781411961 /nfs/dbraw/zinc/41/19/61/781411961.db2.gz AWHUZRVIEWFWPR-NXEZZACHSA-N 1 0 312.374 -1.443 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)COCc1nncn1C ZINC001146209138 781412228 /nfs/dbraw/zinc/41/22/28/781412228.db2.gz VMMDCVMQSLGYRB-LLVKDONJSA-N 1 0 322.369 -1.825 20 30 DAEDRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CCOC[C@H]1C#N ZINC001160934101 781413228 /nfs/dbraw/zinc/41/32/28/781413228.db2.gz WCQKNTJHFFLODQ-MNOVXSKESA-N 1 0 312.370 -1.004 20 30 DAEDRO C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CNC(=O)Cn1cncn1 ZINC001146585504 781414754 /nfs/dbraw/zinc/41/47/54/781414754.db2.gz ZDFKTXWOGBYWKC-NEPJUHHUSA-N 1 0 306.370 -1.100 20 30 DAEDRO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNC(=O)Cn1cncn1 ZINC001146585505 781415014 /nfs/dbraw/zinc/41/50/14/781415014.db2.gz ZDFKTXWOGBYWKC-NWDGAFQWSA-N 1 0 306.370 -1.100 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCN(C(=O)CC)C1 ZINC001146903274 781422578 /nfs/dbraw/zinc/42/25/78/781422578.db2.gz WEEFVQHPUYPIES-LBPRGKRZSA-N 1 0 308.382 -1.300 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC001146980314 781423864 /nfs/dbraw/zinc/42/38/64/781423864.db2.gz SYIUTKGAYRKBNT-LLVKDONJSA-N 1 0 303.366 -1.030 20 30 DAEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)CNC(N)=O)C2)C1 ZINC001146951332 781424444 /nfs/dbraw/zinc/42/44/44/781424444.db2.gz QEQOQSOXVFGALD-NSHDSACASA-N 1 0 321.381 -1.673 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@]1(C)CCN(C(C)=O)C1 ZINC001146984613 781426196 /nfs/dbraw/zinc/42/61/96/781426196.db2.gz FHKBSVJDALXLKN-HNNXBMFYSA-N 1 0 308.382 -1.300 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cn([C@@H]2CCOC2)nn1 ZINC001147016072 781429749 /nfs/dbraw/zinc/42/97/49/781429749.db2.gz QQWXJZYBIUAZMI-LLVKDONJSA-N 1 0 320.353 -1.692 20 30 DAEDRO COCCCn1cc(C(=O)NCC[NH2+]CC(=O)NCC#N)cn1 ZINC001147056072 781430961 /nfs/dbraw/zinc/43/09/61/781430961.db2.gz KVNVAQUBPHDGTH-UHFFFAOYSA-N 1 0 322.369 -1.121 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C(=O)N1CCC[C@@H]1CC ZINC001147022356 781431033 /nfs/dbraw/zinc/43/10/33/781431033.db2.gz DXPIQXNUAZCHRJ-LBPRGKRZSA-N 1 0 308.382 -1.157 20 30 DAEDRO C=C(C)CC[NH2+]CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001147050145 781431061 /nfs/dbraw/zinc/43/10/61/781431061.db2.gz IPZAKBIGWODVGI-NSHDSACASA-N 1 0 309.374 -1.150 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001147321587 781438858 /nfs/dbraw/zinc/43/88/58/781438858.db2.gz PSHSPCGIGDBNHQ-NSHDSACASA-N 1 0 309.370 -1.625 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001147322324 781438866 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ZINC001183497000 781727359 /nfs/dbraw/zinc/72/73/59/781727359.db2.gz SFCDOTGXGNRTJP-QWHCGFSZSA-N 1 0 320.393 -1.205 20 30 DAEDRO CN1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)CC1=O ZINC001183682585 781728231 /nfs/dbraw/zinc/72/82/31/781728231.db2.gz ABPWGKUKKMGOIW-VXGBXAGGSA-N 1 0 321.381 -1.315 20 30 DAEDRO CN1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)CC1=O ZINC001183682584 781728757 /nfs/dbraw/zinc/72/87/57/781728757.db2.gz ABPWGKUKKMGOIW-NWDGAFQWSA-N 1 0 321.381 -1.315 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001183682927 781729045 /nfs/dbraw/zinc/72/90/45/781729045.db2.gz FFESGWMOJGFKOV-CHWSQXEVSA-N 1 0 320.393 -1.205 20 30 DAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)S(C)(=O)=O)C1 ZINC001183657627 781729913 /nfs/dbraw/zinc/72/99/13/781729913.db2.gz SGXXQAVSVZXPNE-GHMZBOCLSA-N 1 0 317.411 -1.088 20 30 DAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001183792646 781735186 /nfs/dbraw/zinc/73/51/86/781735186.db2.gz 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781760713 /nfs/dbraw/zinc/76/07/13/781760713.db2.gz YAGBRLZLJITWKV-SECBINFHSA-N 1 0 306.326 -1.430 20 30 DAEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001185577069 781761035 /nfs/dbraw/zinc/76/10/35/781761035.db2.gz SVRLEYNJNWIIRB-SECBINFHSA-N 1 0 311.367 -1.116 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc(C(N)=O)co2)C1 ZINC001185599824 781762288 /nfs/dbraw/zinc/76/22/88/781762288.db2.gz FSXOTDRSEUFOOC-LLVKDONJSA-N 1 0 318.333 -1.068 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@]2(C)CCNC2=O)C1 ZINC001185633096 781762883 /nfs/dbraw/zinc/76/28/83/781762883.db2.gz KIXPRKZIOGSPPE-IAQYHMDHSA-N 1 0 306.366 -1.548 20 30 DAEDRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001185684027 781764240 /nfs/dbraw/zinc/76/42/40/781764240.db2.gz BAYDNGWUXYJZAU-UTUOFQBUSA-N 1 0 321.381 -1.459 20 30 DAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001185940119 781768217 /nfs/dbraw/zinc/76/82/17/781768217.db2.gz CFDUYTHUYZAZBB-MNOVXSKESA-N 1 0 308.338 -1.575 20 30 DAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)COC[C@@H]2CCOC2)C1 ZINC001186042418 781772187 /nfs/dbraw/zinc/77/21/87/781772187.db2.gz YKFGGGZZFJQERV-CHWSQXEVSA-N 1 0 324.381 -1.130 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)COC[C@@H]2CCOC2)C1 ZINC001186041154 781772257 /nfs/dbraw/zinc/77/22/57/781772257.db2.gz LCIUUKIDNNDQDY-ZIAGYGMSSA-N 1 0 323.393 -1.021 20 30 DAEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001186048135 781772266 /nfs/dbraw/zinc/77/22/66/781772266.db2.gz CUTMLCSIKRMTGB-SNVBAGLBSA-N 1 0 306.322 -1.379 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CC(=O)N(C)C)C1 ZINC001186184024 781775399 /nfs/dbraw/zinc/77/53/99/781775399.db2.gz BTBIULLXQGEJHH-NWDGAFQWSA-N 1 0 308.382 -1.207 20 30 DAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001186119242 781775546 /nfs/dbraw/zinc/77/55/46/781775546.db2.gz OOUUOLIUKMHBLD-OLZOCXBDSA-N 1 0 324.381 -1.793 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001186322035 781776926 /nfs/dbraw/zinc/77/69/26/781776926.db2.gz RKHPKNYXDXASRN-GHMZBOCLSA-N 1 0 304.354 -1.243 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001186322036 781777054 /nfs/dbraw/zinc/77/70/54/781777054.db2.gz RKHPKNYXDXASRN-WDEREUQCSA-N 1 0 304.354 -1.243 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001186396650 781777142 /nfs/dbraw/zinc/77/71/42/781777142.db2.gz ZCYPSYFEAMBWID-SNVBAGLBSA-N 1 0 321.337 -2.522 20 30 DAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001186303321 781777157 /nfs/dbraw/zinc/77/71/57/781777157.db2.gz BYQXZKGGKWVLBK-SNVBAGLBSA-N 1 0 321.337 -2.131 20 30 DAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnon2)C1 ZINC001186472124 781778144 /nfs/dbraw/zinc/77/81/44/781778144.db2.gz HBJYBPUNAAYICN-SECBINFHSA-N 1 0 322.325 -1.115 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001186554328 781779929 /nfs/dbraw/zinc/77/99/29/781779929.db2.gz BKOWQHPYZLLSGB-LLVKDONJSA-N 1 0 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C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)c1nnn(C)c1C ZINC001317385370 916294076 /nfs/dbraw/zinc/29/40/76/916294076.db2.gz AHRDFTVYMMNECB-SNVBAGLBSA-N 1 0 306.370 -1.029 20 30 DAEDRO Cn1nnc(C(=O)N[C@H]2CCC[C@@H]([NH2+]CC(=O)NCC#N)C2)n1 ZINC001317367635 916294187 /nfs/dbraw/zinc/29/41/87/916294187.db2.gz YOFRHALFLQACPF-ZJUUUORDSA-N 1 0 320.357 -1.520 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)CN1CCNC(=O)C1 ZINC001317402607 916294888 /nfs/dbraw/zinc/29/48/88/916294888.db2.gz JUVBXESWNXOAGY-GFCCVEGCSA-N 1 0 323.397 -2.348 20 30 DAEDRO C[C@H](CCNC(=O)C#CC1CC1)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001317395089 916294910 /nfs/dbraw/zinc/29/49/10/916294910.db2.gz TWQNNXGADNYKPL-GFCCVEGCSA-N 1 0 320.393 -1.157 20 30 DAEDRO COCC#CC[NH2+][C@H](C)CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001317416604 916295015 /nfs/dbraw/zinc/29/50/15/916295015.db2.gz VRYSCLZUTKYZKB-LLVKDONJSA-N 1 0 322.369 -1.489 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CCNC(=O)CNC(=O)NC ZINC001317395952 916295055 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C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CC(=O)N(CC)C1 ZINC001268550185 775399238 /nfs/dbraw/zinc/39/92/38/775399238.db2.gz WAWZTLCATMNWJQ-GFUIURDCSA-N 1 0 320.393 -1.134 20 30 DAEDRO Cn1cc(C(=O)NC/C=C/C[NH2+]CC(=O)NCC#N)ccc1=O ZINC001268560019 775401076 /nfs/dbraw/zinc/40/10/76/775401076.db2.gz IOSPDKLMRYULHQ-NSCUHMNNSA-N 1 0 317.349 -1.099 20 30 DAEDRO C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)c1c[nH]c(=O)n1C ZINC001268572370 775401199 /nfs/dbraw/zinc/40/11/99/775401199.db2.gz LCGRQUWNFAMMFJ-SNAWJCMRSA-N 1 0 305.338 -1.249 20 30 DAEDRO C#CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001268570133 775401321 /nfs/dbraw/zinc/40/13/21/775401321.db2.gz KIIUBGOCNFBRQO-ZWNMCFTASA-N 1 0 313.379 -1.815 20 30 DAEDRO COc1c(C(=O)NC/C=C/C[NH2+]CC(=O)NCC#N)cnn1C ZINC001268618731 775408573 /nfs/dbraw/zinc/40/85/73/775408573.db2.gz OMRDXIPLJBEPEZ-ONEGZZNKSA-N 1 0 320.353 -1.056 20 30 DAEDRO C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)C1(C(=O)NC)CCC1 ZINC001268616080 775408658 /nfs/dbraw/zinc/40/86/58/775408658.db2.gz 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C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H](C)CS(C)(=O)=O ZINC001268673136 775414022 /nfs/dbraw/zinc/41/40/22/775414022.db2.gz BKSFYEMGQNEWTF-NXEZZACHSA-N 1 0 318.399 -1.599 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)c1cnn(C)c1N ZINC001268684500 775414835 /nfs/dbraw/zinc/41/48/35/775414835.db2.gz PDFXYMDSFKZDJZ-VHSXEESVSA-N 1 0 306.370 -1.152 20 30 DAEDRO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001268697932 775415836 /nfs/dbraw/zinc/41/58/36/775415836.db2.gz JNPXRGKXSQMQGA-NSHDSACASA-N 1 0 311.386 -2.185 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1ccc(C(N)=O)o1 ZINC001268694737 775415915 /nfs/dbraw/zinc/41/59/15/775415915.db2.gz HAOAWQWMTBTTJT-VIFPVBQESA-N 1 0 306.322 -1.164 20 30 DAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1cnc2n1CCOC2 ZINC001268689672 775415990 /nfs/dbraw/zinc/41/59/90/775415990.db2.gz DGFFIVHGWRYMRQ-JTQLQIEISA-N 1 0 320.353 -1.239 20 30 DAEDRO C#CCOCCC(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001268688619 775416058 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DAEDRO C#CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001268811952 775424332 /nfs/dbraw/zinc/42/43/32/775424332.db2.gz HTVTZGLRSMRZQV-LLVKDONJSA-N 1 0 309.370 -1.803 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001268790917 775424479 /nfs/dbraw/zinc/42/44/79/775424479.db2.gz VIPRSVQMSBVMFH-QWRGUYRKSA-N 1 0 310.354 -1.329 20 30 DAEDRO N#CCNC(=O)C[NH2+]C[C@@H](NC(=O)Cn1cnnn1)C1CC1 ZINC001269039055 775436295 /nfs/dbraw/zinc/43/62/95/775436295.db2.gz ODWXZQGPHQQYBK-SNVBAGLBSA-N 1 0 306.330 -2.203 20 30 DAEDRO N#CCNC(=O)C[NH2+]C[C@H](NC(=O)Cn1cnnn1)C1CC1 ZINC001269039054 775436890 /nfs/dbraw/zinc/43/68/90/775436890.db2.gz ODWXZQGPHQQYBK-JTQLQIEISA-N 1 0 306.330 -2.203 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H](NC(=O)c1cnn(C)c1N)C1CC1 ZINC001269060731 775439958 /nfs/dbraw/zinc/43/99/58/775439958.db2.gz KRHUYPACGDNDEQ-LBPRGKRZSA-N 1 0 318.381 -1.150 20 30 DAEDRO C#CCNC(=O)CN1CC[C@H](NC(=O)c2cnn(C)c2OC)C1 ZINC001269083402 775440576 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CCn1ncc(C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NCC#N)n1 ZINC001284404084 780813729 /nfs/dbraw/zinc/81/37/29/780813729.db2.gz VZCNJFNEPIADGK-JTQLQIEISA-N 1 0 323.357 -2.040 20 30 DAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001284400429 780813745 /nfs/dbraw/zinc/81/37/45/780813745.db2.gz LCKUZWARTLDZDX-ZJUUUORDSA-N 1 0 314.342 -2.194 20 30 DAEDRO Cc1ncc(CC(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NCC#N)o1 ZINC001284416014 780814912 /nfs/dbraw/zinc/81/49/12/780814912.db2.gz JRRIDUFQBNTZCF-NSHDSACASA-N 1 0 323.353 -1.426 20 30 DAEDRO C=C(C)CN(CC)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C(N)=O ZINC001284444319 780815723 /nfs/dbraw/zinc/81/57/23/780815723.db2.gz JCEPPBGVNXKYHE-NSHDSACASA-N 1 0 314.386 -1.695 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1cnc(C)n1C ZINC001284435936 780816545 /nfs/dbraw/zinc/81/65/45/780816545.db2.gz OKRWRZPBBSANNO-LBPRGKRZSA-N 1 0 321.381 -1.500 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCN(C)C1=O ZINC001284436994 780816823 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300.359 -1.225 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)c1cn(C)c(=O)n1C ZINC001177107989 781631710 /nfs/dbraw/zinc/63/17/10/781631710.db2.gz LSVWVXXCHJQUJD-NSHDSACASA-N 1 0 321.381 -1.429 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCN1C(C)=O ZINC001177141851 781633313 /nfs/dbraw/zinc/63/33/13/781633313.db2.gz ATLUFOMEIMTOHK-CYBMUJFWSA-N 1 0 308.382 -1.157 20 30 DAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)c1cccc(C(N)=O)n1 ZINC001177165507 781633574 /nfs/dbraw/zinc/63/35/74/781633574.db2.gz VUAMGAWHCJJPDN-UHFFFAOYSA-N 1 0 318.337 -1.470 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CCc1cn(C)nn1 ZINC001177511024 781636311 /nfs/dbraw/zinc/63/63/11/781636311.db2.gz MVPHIAFEKDCUAO-UHFFFAOYSA-N 1 0 306.370 -1.407 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCN1C(N)=O ZINC001177447197 781636463 /nfs/dbraw/zinc/63/64/63/781636463.db2.gz IYXJRGHDNKFOJR-NEPJUHHUSA-N 1 0 323.397 -1.237 20 30 DAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)COC[C@H]1CCCO1 ZINC001177477662 781636847 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CC(=O)NCC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NCC#N)C1 ZINC001317826599 916354598 /nfs/dbraw/zinc/35/45/98/916354598.db2.gz MQKSRSJCHVFYTC-LBPRGKRZSA-N 1 0 309.370 -1.457 20 30 DAEDRO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001317833094 916355923 /nfs/dbraw/zinc/35/59/23/916355923.db2.gz PEZTXHQQNVUWQJ-RYUDHWBXSA-N 1 0 323.397 -1.427 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CN(C)CCO1 ZINC001318512105 916400560 /nfs/dbraw/zinc/40/05/60/916400560.db2.gz NGVXPATYFMIIJC-QWHCGFSZSA-N 1 0 310.398 -1.449 20 30 DAEDRO CC[C@H](CNC(=O)[C@H]1CCC(=O)N1C)[NH2+]CC(=O)NCC#N ZINC001318563742 916402913 /nfs/dbraw/zinc/40/29/13/916402913.db2.gz WWLMMBQFEBZLST-GHMZBOCLSA-N 1 0 309.370 -1.269 20 30 DAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CC)CNC(=O)Cc1nc[nH]n1 ZINC001318597177 916404403 /nfs/dbraw/zinc/40/44/03/916404403.db2.gz YGDZQGFEZPLQRV-MNOVXSKESA-N 1 0 306.370 -1.031 20 30 DAEDRO C=CCNC(=O)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001318714667 916407698 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C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)C1(C(N)=O)CC1 ZINC001319232185 916422447 /nfs/dbraw/zinc/42/24/47/916422447.db2.gz JFDJJDUBTIEVOS-WDEREUQCSA-N 1 0 308.382 -1.268 20 30 DAEDRO C#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001319223328 916423512 /nfs/dbraw/zinc/42/35/12/916423512.db2.gz XGHKIVVYCAWDNQ-UWVGGRQHSA-N 1 0 301.368 -2.125 20 30 DAEDRO C[C@H](CNC(=O)c1cccc(=O)n1C)C[NH2+]CC(=O)NCC#N ZINC001319244990 916424106 /nfs/dbraw/zinc/42/41/06/916424106.db2.gz KEHHRGDPTBHWMX-NSHDSACASA-N 1 0 319.365 -1.019 20 30 DAEDRO N#Cc1ncn(CC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC001319261947 916425713 /nfs/dbraw/zinc/42/57/13/916425713.db2.gz JBPMIQCJQQXCEK-NSHDSACASA-N 1 0 319.369 -1.147 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)c1cn(C)c(=O)n1C ZINC001319285072 916425744 /nfs/dbraw/zinc/42/57/44/916425744.db2.gz JYVDHNOTMFLOOF-LLVKDONJSA-N 1 0 321.381 -1.571 20 30 DAEDRO CNC(=O)NCCC(=O)N(C)[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001319455194 916435084 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DAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)C[C@@H]1CCNC1=O ZINC001319473085 916440556 /nfs/dbraw/zinc/44/05/56/916440556.db2.gz PAQZWSKXXLLMGA-QWRGUYRKSA-N 1 0 309.370 -1.411 20 30 DAEDRO CCS(=O)(=O)CC(=O)N(C)[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001319593032 916447433 /nfs/dbraw/zinc/44/74/33/916447433.db2.gz LQQUPVVQCBQTTM-SNVBAGLBSA-N 1 0 318.399 -1.503 20 30 DAEDRO C=CC[NH2+][C@H](CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C(C)C ZINC001319927952 916456199 /nfs/dbraw/zinc/45/61/99/916456199.db2.gz ICXRBVNZNHSNGM-MNOVXSKESA-N 1 0 317.411 -1.184 20 30 DAEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cn2ncn(C)c2=O)c1C#N ZINC001319959368 916457267 /nfs/dbraw/zinc/45/72/67/916457267.db2.gz FPORQUXLUDLCCV-UHFFFAOYSA-N 1 0 318.341 -1.033 20 30 DAEDRO CC(C)[C@H](CNC(=O)C1(C(N)=O)CC1)[NH2+]CC(=O)NCC#N ZINC001319943478 916457700 /nfs/dbraw/zinc/45/77/00/916457700.db2.gz KHLGDPFYZXTUOS-JTQLQIEISA-N 1 0 309.370 -1.378 20 30 DAEDRO C=CCN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)c2cn[nH]c2)C1=O ZINC001320199735 916473555 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CC#CC[NH2+]C[C@@H](O)CNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001320315460 916505934 /nfs/dbraw/zinc/50/59/34/916505934.db2.gz INXKXEWFHVVUMD-LLVKDONJSA-N 1 0 322.369 -1.930 20 30 DAEDRO C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001320449858 916509220 /nfs/dbraw/zinc/50/92/20/916509220.db2.gz JHNNXFGWVAESIZ-ZJUUUORDSA-N 1 0 323.353 -2.182 20 30 DAEDRO C#CC[NH2+]CC[C@@H](C)NC(=O)CN1CCS(=O)(=O)CC1 ZINC001320634235 916519780 /nfs/dbraw/zinc/51/97/80/916519780.db2.gz OTPGNYQILLFRCT-GFCCVEGCSA-N 1 0 301.412 -1.166 20 30 DAEDRO CCN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1C[C@H]1C(=O)OC ZINC001320693590 916523750 /nfs/dbraw/zinc/52/37/50/916523750.db2.gz LSHOJUGWGMATKN-GHMZBOCLSA-N 1 0 310.354 -1.127 20 30 DAEDRO CCN(CC[NH2+]CC#CCOC)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001320755631 916527110 /nfs/dbraw/zinc/52/71/10/916527110.db2.gz JUQIFVAGICEAIV-NSHDSACASA-N 1 0 310.354 -1.328 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCN(CC)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001320755682 916527952 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SZSPYLMCWWOSPU-ZZKXABKFSA-N 1 0 315.395 -1.410 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001321564576 916578796 /nfs/dbraw/zinc/57/87/96/916578796.db2.gz UEWUCPDPNNANAC-ABAIWWIYSA-N 1 0 308.382 -1.254 20 30 DAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@]1(C)CCNC(=O)C1 ZINC001321563250 916580030 /nfs/dbraw/zinc/58/00/30/916580030.db2.gz JIOKRNLSOMZZRE-QMTHXVAHSA-N 1 0 309.370 -1.363 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001321576039 916581774 /nfs/dbraw/zinc/58/17/74/916581774.db2.gz WESGRRNOMHXNPX-VXGBXAGGSA-N 1 0 323.397 -1.379 20 30 DAEDRO CC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001321703671 916588753 /nfs/dbraw/zinc/58/87/53/916588753.db2.gz XOZBUSRKNWJKPY-GHMZBOCLSA-N 1 0 307.358 -1.705 20 30 DAEDRO C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001321702487 916589402 /nfs/dbraw/zinc/58/94/02/916589402.db2.gz CPPHCCSLHNAWHW-GHMZBOCLSA-N 1 0 309.374 -1.152 20 30 DAEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cnn(C)n1 ZINC001321680880 916589965 /nfs/dbraw/zinc/58/99/65/916589965.db2.gz LXVDMIRATGUHHM-SECBINFHSA-N 1 0 323.357 -1.465 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)C(=O)NCC1CC1 ZINC001321696902 916590562 /nfs/dbraw/zinc/59/05/62/916590562.db2.gz OIOBCRNAYQUMCN-MNOVXSKESA-N 1 0 308.382 -1.255 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1nccnc1C(N)=O ZINC001321735449 916593520 /nfs/dbraw/zinc/59/35/20/916593520.db2.gz GQZCLFMXLWWABZ-SECBINFHSA-N 1 0 318.337 -1.967 20 30 DAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)CN(C)C(=O)C1CC1 ZINC001321866881 916602315 /nfs/dbraw/zinc/60/23/15/916602315.db2.gz MTNSIIAYNTYRTN-JTQLQIEISA-N 1 0 309.370 -1.411 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001321875270 916603906 /nfs/dbraw/zinc/60/39/06/916603906.db2.gz FRWBTHBTQOMAGI-IUCAKERBSA-N 1 0 309.326 -2.572 20 30 DAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1cnc(N(C)C)cn1 ZINC001321849026 916604070 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C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)CCc1cn(C)nn1 ZINC001266995253 775192295 /nfs/dbraw/zinc/19/22/95/775192295.db2.gz FOGLCJQKAXBSPQ-NSHDSACASA-N 1 0 306.370 -1.409 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1cn(C)c(=O)n1C ZINC001266995560 775193326 /nfs/dbraw/zinc/19/33/26/775193326.db2.gz UZXJXQDDUHTMOR-JTQLQIEISA-N 1 0 307.354 -1.819 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](C)S(C)(=O)=O)C1 ZINC001267012939 775193924 /nfs/dbraw/zinc/19/39/24/775193924.db2.gz MAFIMINACRUZQI-QWRGUYRKSA-N 1 0 315.395 -1.641 20 30 DAEDRO C#CC[NH2+][C@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001267009498 775194451 /nfs/dbraw/zinc/19/44/51/775194451.db2.gz HISGPGIDEOEEKF-NSHDSACASA-N 1 0 302.400 -1.452 20 30 DAEDRO C#CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)CNC(=O)NC)C1 ZINC001267001909 775194486 /nfs/dbraw/zinc/19/44/86/775194486.db2.gz XJVUTYHFCFGRPA-LBPRGKRZSA-N 1 0 323.397 -1.507 20 30 DAEDRO C#CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001267001916 775195262 /nfs/dbraw/zinc/19/52/62/775195262.db2.gz XMANDDVIIVZCFN-NWDGAFQWSA-N 1 0 323.397 -1.379 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CNC(=O)NC)C1 ZINC001267012131 775195386 /nfs/dbraw/zinc/19/53/86/775195386.db2.gz XMYFVYHVHKLFIO-QWRGUYRKSA-N 1 0 309.370 -1.756 20 30 DAEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001267022995 775196650 /nfs/dbraw/zinc/19/66/50/775196650.db2.gz PIQONVKNAWBONY-MNOVXSKESA-N 1 0 305.342 -1.999 20 30 DAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CCCC(=O)N1C ZINC001267019926 775196724 /nfs/dbraw/zinc/19/67/24/775196724.db2.gz LTRZZNFTHGBLNH-LLVKDONJSA-N 1 0 309.370 -1.315 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001267030252 775197675 /nfs/dbraw/zinc/19/76/75/775197675.db2.gz PAXOSGKAXCDMMN-LLVKDONJSA-N 1 0 317.349 -1.017 20 30 DAEDRO COCC#CC[NH2+]C[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001267046716 775197724 /nfs/dbraw/zinc/19/77/24/775197724.db2.gz DAJHZLVKYWTJPV-CYBMUJFWSA-N 1 0 321.381 -1.330 20 30 DAEDRO C#CC[NH2+]C[C@@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001267042976 775197779 /nfs/dbraw/zinc/19/77/79/775197779.db2.gz GLASKAUJBLYDJC-LBPRGKRZSA-N 1 0 304.350 -1.382 20 30 DAEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC001267025781 775197876 /nfs/dbraw/zinc/19/78/76/775197876.db2.gz PYDPPKUHTQJPOD-NSHDSACASA-N 1 0 319.365 -1.113 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CCn2cncn2)C1 ZINC001267030741 775197918 /nfs/dbraw/zinc/19/79/18/775197918.db2.gz UAMRAUGIGHMLTI-ZDUSSCGKSA-N 1 0 318.381 -1.144 20 30 DAEDRO C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001267052968 775198928 /nfs/dbraw/zinc/19/89/28/775198928.db2.gz JPXOHVMAUJHNJR-VXGBXAGGSA-N 1 0 308.382 -1.137 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001267052288 775198984 /nfs/dbraw/zinc/19/89/84/775198984.db2.gz BLZBCIBSTOAGGE-NWDGAFQWSA-N 1 0 321.381 -1.803 20 30 DAEDRO C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001267052965 775199020 /nfs/dbraw/zinc/19/90/20/775199020.db2.gz JPXOHVMAUJHNJR-NEPJUHHUSA-N 1 0 308.382 -1.137 20 30 DAEDRO C#CC[NH2+][C@H]1CCC[C@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001267083665 775201914 /nfs/dbraw/zinc/20/19/14/775201914.db2.gz AHQCNXZCFNMREQ-QWRGUYRKSA-N 1 0 302.400 -1.310 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)CNC(=O)NC)C1 ZINC001267083099 775201961 /nfs/dbraw/zinc/20/19/61/775201961.db2.gz WBBDEAVTUFNOPE-NWDGAFQWSA-N 1 0 323.397 -1.318 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)CNC(=O)NC)C1 ZINC001267083101 775202456 /nfs/dbraw/zinc/20/24/56/775202456.db2.gz WBBDEAVTUFNOPE-RYUDHWBXSA-N 1 0 323.397 -1.318 20 30 DAEDRO C#CCNC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)CC(N)=O ZINC001267163577 775207857 /nfs/dbraw/zinc/20/78/57/775207857.db2.gz WLZGGTKTDKBSSD-GFCCVEGCSA-N 1 0 308.382 -1.028 20 30 DAEDRO COCC#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001267145331 775208246 /nfs/dbraw/zinc/20/82/46/775208246.db2.gz CNZIHXGTKOMXHK-MNOVXSKESA-N 1 0 310.354 -1.281 20 30 DAEDRO C#CCNC(=O)CN(C)CCNC(=O)[C@@H](OC)[C@H]1CCOC1 ZINC001267209089 775212929 /nfs/dbraw/zinc/21/29/29/775212929.db2.gz IYOGEBSPDOVVEV-JSGCOSHPSA-N 1 0 311.382 -1.165 20 30 DAEDRO C#CC[N@H+](CC)CCNC(=O)CN(C)S(=O)(=O)N(C)C ZINC001267240937 775217908 /nfs/dbraw/zinc/21/79/08/775217908.db2.gz DWSKIWKIKYKOLX-UHFFFAOYSA-N 1 0 304.416 -1.204 20 30 DAEDRO C#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001100618808 775218080 /nfs/dbraw/zinc/21/80/80/775218080.db2.gz YWRVYEHJYWKBIW-VQXHTEKXSA-N 1 0 307.354 -2.098 20 30 DAEDRO CC#CC[N@@H+]1CCC[C@H]1CNC(=O)CNC(=O)CNC(C)=O ZINC001267269968 775221584 /nfs/dbraw/zinc/22/15/84/775221584.db2.gz FLEMSRWHTSBCEO-ZDUSSCGKSA-N 1 0 308.382 -1.157 20 30 DAEDRO C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001267292514 775224507 /nfs/dbraw/zinc/22/45/07/775224507.db2.gz YLANHLPBQOZLGQ-MNOVXSKESA-N 1 0 310.354 -1.165 20 30 DAEDRO C#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001267300336 775224632 /nfs/dbraw/zinc/22/46/32/775224632.db2.gz MWEVSILNHMUHQW-CHWSQXEVSA-N 1 0 320.393 -1.205 20 30 DAEDRO C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001267292515 775224721 /nfs/dbraw/zinc/22/47/21/775224721.db2.gz YLANHLPBQOZLGQ-QWRGUYRKSA-N 1 0 310.354 -1.165 20 30 DAEDRO C#CCC[N@H+]1CC[C@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001267294860 775224884 /nfs/dbraw/zinc/22/48/84/775224884.db2.gz NQVFEAXWAQFKDW-LLVKDONJSA-N 1 0 304.354 -1.162 20 30 DAEDRO C#CCO[C@@H](C)C(=O)NCCN(CC(=O)NC(N)=O)C1CC1 ZINC001267325569 775228977 /nfs/dbraw/zinc/22/89/77/775228977.db2.gz KSGOCTFGQGGVSG-JTQLQIEISA-N 1 0 310.354 -1.200 20 30 DAEDRO C[C@@H](C#N)C(=O)N(C)CC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001267354924 775229825 /nfs/dbraw/zinc/22/98/25/775229825.db2.gz CNRHVMWUXFRABF-NWDGAFQWSA-N 1 0 323.397 -1.082 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C1CN(C(C)=O)C1 ZINC001267366334 775229974 /nfs/dbraw/zinc/22/99/74/775229974.db2.gz CVWDQXWGYOMXEP-NSHDSACASA-N 1 0 308.382 -1.349 20 30 DAEDRO C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001267379591 775232720 /nfs/dbraw/zinc/23/27/20/775232720.db2.gz AHGHASLURDKWSV-LLVKDONJSA-N 1 0 324.381 -1.126 20 30 DAEDRO C#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H](COC)OC)C1 ZINC001100655070 775232952 /nfs/dbraw/zinc/23/29/52/775232952.db2.gz FSUAKSLZBNCYPP-BPCQOVAHSA-N 1 0 311.382 -1.118 20 30 DAEDRO C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H](C)N1C(=O)CCC1=O ZINC001267379593 775233555 /nfs/dbraw/zinc/23/35/55/775233555.db2.gz AHGHASLURDKWSV-NSHDSACASA-N 1 0 324.381 -1.126 20 30 DAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)c1cn2c(n1)COCC2 ZINC001267390686 775234765 /nfs/dbraw/zinc/23/47/65/775234765.db2.gz NPFYULGUWGPHKD-UHFFFAOYSA-N 1 0 320.353 -1.285 20 30 DAEDRO C[C@H](C#N)C(=O)N(CCO)CC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001279672950 775236105 /nfs/dbraw/zinc/23/61/05/775236105.db2.gz ORZZDOBKFZFIAA-NEPJUHHUSA-N 1 0 317.411 -1.009 20 30 DAEDRO Cc1noc(CCC(=O)N(C)CC[NH2+]CC(=O)NCC#N)n1 ZINC001267409767 775236747 /nfs/dbraw/zinc/23/67/47/775236747.db2.gz BWORCSVRFRVZBF-UHFFFAOYSA-N 1 0 308.342 -1.002 20 30 DAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)c1nc[nH]n1 ZINC001267442526 775240234 /nfs/dbraw/zinc/24/02/34/775240234.db2.gz RWQJWMUKRNNRCB-UHFFFAOYSA-N 1 0 309.330 -1.522 20 30 DAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001267440273 775240311 /nfs/dbraw/zinc/24/03/11/775240311.db2.gz NNMZAPVEHYBEJB-SNVBAGLBSA-N 1 0 324.381 -1.222 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2COCCO2)C1 ZINC001207392335 775242622 /nfs/dbraw/zinc/24/26/22/775242622.db2.gz GIWKYHIXVCHAOC-OLZOCXBDSA-N 1 0 309.366 -1.268 20 30 DAEDRO C#CCNC(=O)C[NH2+]CC1(CCNC(=O)Cc2nc[nH]n2)CC1 ZINC001167686236 775243157 /nfs/dbraw/zinc/24/31/57/775243157.db2.gz QXQOYMRMLHMPSU-UHFFFAOYSA-N 1 0 318.381 -1.027 20 30 DAEDRO N#Cc1ccc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)[nH]1 ZINC001125776079 775243751 /nfs/dbraw/zinc/24/37/51/775243751.db2.gz GMBNLOUGLQROEL-UHFFFAOYSA-N 1 0 318.337 -1.836 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CN(CC)CCO1 ZINC001267471902 775245121 /nfs/dbraw/zinc/24/51/21/775245121.db2.gz WHJKSEPHHAEIEM-CYBMUJFWSA-N 1 0 310.398 -1.496 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CN(CC)CCO1 ZINC001267471903 775245347 /nfs/dbraw/zinc/24/53/47/775245347.db2.gz WHJKSEPHHAEIEM-ZDUSSCGKSA-N 1 0 310.398 -1.496 20 30 DAEDRO N#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001100677267 775245440 /nfs/dbraw/zinc/24/54/40/775245440.db2.gz DLNOPSDYLFIVGH-LXKPXOPUSA-N 1 0 307.354 -1.768 20 30 DAEDRO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001267570210 775250393 /nfs/dbraw/zinc/25/03/93/775250393.db2.gz KMZYESSQRGAUTJ-NEPJUHHUSA-N 1 0 321.381 -1.755 20 30 DAEDRO C#CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001267592066 775252475 /nfs/dbraw/zinc/25/24/75/775252475.db2.gz MUFWEOPYDZRUAH-NSHDSACASA-N 1 0 304.354 -1.052 20 30 DAEDRO C#CC[N@@H+](C)C[C@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001267591037 775252571 /nfs/dbraw/zinc/25/25/71/775252571.db2.gz YMBJQQRUYIGPTH-GFCCVEGCSA-N 1 0 316.427 -1.204 20 30 DAEDRO C#CC[NH2+]C1CC(CNC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001100723966 775254979 /nfs/dbraw/zinc/25/49/79/775254979.db2.gz MBIJNZBWELZOLI-UHFFFAOYSA-N 1 0 306.322 -1.475 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001104616963 775256386 /nfs/dbraw/zinc/25/63/86/775256386.db2.gz JSERBHNPUAQHRU-GRYCIOLGSA-N 1 0 308.382 -1.316 20 30 DAEDRO C#CCNC(=O)CN1CCC[C@H](NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001267631309 775258464 /nfs/dbraw/zinc/25/84/64/775258464.db2.gz CBDICQBFKCHWQC-LRDDRELGSA-N 1 0 320.393 -1.157 20 30 DAEDRO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)CNC(=O)NC)C1 ZINC001267653139 775262376 /nfs/dbraw/zinc/26/23/76/775262376.db2.gz LUQAGIFDYRGQID-LBPRGKRZSA-N 1 0 323.397 -1.555 20 30 DAEDRO C=CCCCN1CC(NC(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001267664968 775263858 /nfs/dbraw/zinc/26/38/58/775263858.db2.gz ZHYDGIUEEYOYON-LLVKDONJSA-N 1 0 321.385 -1.056 20 30 DAEDRO N#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1COCCO1 ZINC001283737160 775265905 /nfs/dbraw/zinc/26/59/05/775265905.db2.gz YCANVZUVCMQELR-VHSXEESVSA-N 1 0 300.315 -2.892 20 30 DAEDRO C[N@@H+](CC(=O)NCC#N)C[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001267703833 775268179 /nfs/dbraw/zinc/26/81/79/775268179.db2.gz XIOPJDXBHYCPOK-NEPJUHHUSA-N 1 0 321.381 -1.315 20 30 DAEDRO CCNC(=O)NC(=O)C[NH2+][C@@H](CO)CNC(=O)C#CC(C)C ZINC001283754503 775269507 /nfs/dbraw/zinc/26/95/07/775269507.db2.gz BWKCUJHWRWOJOA-LLVKDONJSA-N 1 0 312.370 -1.442 20 30 DAEDRO N#CCNC(=O)CN1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001267734176 775274094 /nfs/dbraw/zinc/27/40/94/775274094.db2.gz WZRZUHAYSMMWTQ-VIFPVBQESA-N 1 0 322.325 -2.632 20 30 DAEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001267750575 775276076 /nfs/dbraw/zinc/27/60/76/775276076.db2.gz JVEYFZJJHXDAFD-NWDGAFQWSA-N 1 0 319.369 -1.608 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@]1(C)CCNC1=O ZINC001267821059 775282127 /nfs/dbraw/zinc/28/21/27/775282127.db2.gz XUPCRPNBHUPKHK-XHDPSFHLSA-N 1 0 308.382 -1.254 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H](C)S(C)(=O)=O ZINC001267809288 775282540 /nfs/dbraw/zinc/28/25/40/775282540.db2.gz ISCBNHCZWYOOER-MNOVXSKESA-N 1 0 317.411 -1.347 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H](C)S(C)(=O)=O ZINC001267809290 775283160 /nfs/dbraw/zinc/28/31/60/775283160.db2.gz ISCBNHCZWYOOER-WDEREUQCSA-N 1 0 317.411 -1.347 20 30 DAEDRO CC[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)[NH2+]CC#CCOC ZINC001267828941 775283958 /nfs/dbraw/zinc/28/39/58/775283958.db2.gz JYIKEXPYTMFKDG-NEPJUHHUSA-N 1 0 317.411 -1.188 20 30 DAEDRO CC[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)[NH2+]CC#CCOC ZINC001267828943 775284401 /nfs/dbraw/zinc/28/44/01/775284401.db2.gz JYIKEXPYTMFKDG-RYUDHWBXSA-N 1 0 317.411 -1.188 20 30 DAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)CN2CCOCC2)C1=O ZINC001125901675 775284495 /nfs/dbraw/zinc/28/44/95/775284495.db2.gz GSMJFQSOGFZEDD-CYBMUJFWSA-N 1 0 310.398 -1.189 20 30 DAEDRO Cn1cc(C(=O)N[C@@](C)(C[NH2+]CC(=O)NCC#N)C2CC2)nn1 ZINC001267853944 775285855 /nfs/dbraw/zinc/28/58/55/775285855.db2.gz MVFDFGBRWZHQHY-AWEZNQCLSA-N 1 0 319.369 -1.057 20 30 DAEDRO CNC(=O)NCC(=O)N[C@@](C)(C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001267853583 775285928 /nfs/dbraw/zinc/28/59/28/775285928.db2.gz PZOUBOVDPZEXHW-AWEZNQCLSA-N 1 0 324.385 -1.570 20 30 DAEDRO CC(=O)NCC(=O)N[C@@](C)(C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001267847562 775286556 /nfs/dbraw/zinc/28/65/56/775286556.db2.gz VJBRZVIYEPIVES-AWEZNQCLSA-N 1 0 309.370 -1.363 20 30 DAEDRO C#CCC[NH2+]Cc1cn(C2CN(C(=O)CC(=O)NC)C2)nn1 ZINC001105221386 775291930 /nfs/dbraw/zinc/29/19/30/775291930.db2.gz KYZQPWMUWIPTFA-UHFFFAOYSA-N 1 0 304.354 -1.090 20 30 DAEDRO Cn1cc(C(=O)N2CCC[C@@H]2C[NH2+]CC(=O)NCC#N)nn1 ZINC001267954239 775300438 /nfs/dbraw/zinc/30/04/38/775300438.db2.gz KJLLLAZOTIAWHE-SNVBAGLBSA-N 1 0 305.342 -1.351 20 30 DAEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C(N)=O ZINC001267963840 775302674 /nfs/dbraw/zinc/30/26/74/775302674.db2.gz CWJJXBWBRJMDJS-SECBINFHSA-N 1 0 311.342 -1.936 20 30 DAEDRO 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20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1nnn(C)n1 ZINC001272289495 775742363 /nfs/dbraw/zinc/74/23/63/775742363.db2.gz JASKJMREWMZNOP-MNOVXSKESA-N 1 0 319.369 -1.552 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1nnn(C)n1 ZINC001272289497 775742555 /nfs/dbraw/zinc/74/25/55/775742555.db2.gz JASKJMREWMZNOP-WDEREUQCSA-N 1 0 319.369 -1.552 20 30 DAEDRO C[C@H](C#N)C(=O)NC[C@H](O)C[NH2+]CCCN1C(=O)CNC1=O ZINC001272379056 775753872 /nfs/dbraw/zinc/75/38/72/775753872.db2.gz IYLAFZORRLFUAG-NXEZZACHSA-N 1 0 311.342 -1.845 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1ncoc1C ZINC001272372944 775754545 /nfs/dbraw/zinc/75/45/45/775754545.db2.gz TXFCNYQNCYRYGX-ONGXEEELSA-N 1 0 308.338 -1.199 20 30 DAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)Cn1cc(C)cn1 ZINC001272373589 775754724 /nfs/dbraw/zinc/75/47/24/775754724.db2.gz XRCXMUJXEASUFD-LBPRGKRZSA-N 1 0 307.354 -1.992 20 30 DAEDRO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)CSCC#N)C(=O)N(C)C ZINC001272371022 775755059 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C=C(C)C[C@H](NC(C)=O)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001134812582 776725880 /nfs/dbraw/zinc/72/58/80/776725880.db2.gz MGHWRHRRRPFULX-LBPRGKRZSA-N 1 0 309.370 -1.197 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C(=O)N1CCC[C@H](C)C1 ZINC001134874266 776727115 /nfs/dbraw/zinc/72/71/15/776727115.db2.gz FFQPUWWLSXKVPC-LBPRGKRZSA-N 1 0 308.382 -1.300 20 30 DAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CC(=O)N(C)C ZINC001134941543 776728765 /nfs/dbraw/zinc/72/87/65/776728765.db2.gz HQAOYTXCKRTDAB-UHFFFAOYSA-N 1 0 313.358 -1.818 20 30 DAEDRO C=CCn1cc(C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)nn1 ZINC001134970469 776730899 /nfs/dbraw/zinc/73/08/99/776730899.db2.gz WXCHWMSDSMCDMV-VIFPVBQESA-N 1 0 306.326 -1.411 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cn(CC=C)nn1 ZINC001134973478 776730984 /nfs/dbraw/zinc/73/09/84/776730984.db2.gz UDLQSYUWCFOUNW-NSHDSACASA-N 1 0 304.354 -1.079 20 30 DAEDRO C=CCn1cc(C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)nn1 ZINC001134973136 776731672 /nfs/dbraw/zinc/73/16/72/776731672.db2.gz 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C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C(C)(C)CNC(C)=O ZINC001135173081 776741579 /nfs/dbraw/zinc/74/15/79/776741579.db2.gz WUBMFPULWALDNJ-LLVKDONJSA-N 1 0 310.398 -1.008 20 30 DAEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1nnn(C)n1 ZINC001135214297 776743861 /nfs/dbraw/zinc/74/38/61/776743861.db2.gz IUEWYVXCIFUDFV-RKDXNWHRSA-N 1 0 308.346 -1.664 20 30 DAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1nnn(C)n1 ZINC001135214595 776744106 /nfs/dbraw/zinc/74/41/06/776744106.db2.gz NUKWTAUTBCEMBP-UWVGGRQHSA-N 1 0 307.358 -1.554 20 30 DAEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001135214330 776744803 /nfs/dbraw/zinc/74/48/03/776744803.db2.gz JJCZYTKQZLNFPR-NXEZZACHSA-N 1 0 309.374 -1.001 20 30 DAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001135237482 776744818 /nfs/dbraw/zinc/74/48/18/776744818.db2.gz ZDXAYTXSYDWFOA-UHFFFAOYSA-N 1 0 317.309 -1.606 20 30 DAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)C2CC(=O)NC(=O)C2)C1=O ZINC001135269603 776747360 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C#CCC[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](O)C1 ZINC001090834616 781353948 /nfs/dbraw/zinc/35/39/48/781353948.db2.gz XXBKESIVNCAWDO-CMPLNLGQSA-N 1 0 320.353 -2.048 20 30 DAEDRO C#CCC[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](O)C1 ZINC001090834617 781354069 /nfs/dbraw/zinc/35/40/69/781354069.db2.gz XXBKESIVNCAWDO-JQWIXIFHSA-N 1 0 320.353 -2.048 20 30 DAEDRO C[NH+](C)CCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O ZINC001091178623 781381638 /nfs/dbraw/zinc/38/16/38/781381638.db2.gz STSGVZYKDZWVMN-NEPJUHHUSA-N 1 0 304.354 -1.034 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)COCc1nncn1C ZINC001146207588 781411330 /nfs/dbraw/zinc/41/13/30/781411330.db2.gz CLFUKKOAVTURNM-UHFFFAOYSA-N 1 0 308.342 -2.213 20 30 DAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1nonc1C ZINC001146252039 781411642 /nfs/dbraw/zinc/41/16/42/781411642.db2.gz VWVJPPNUTIBDHL-UHFFFAOYSA-N 1 0 324.341 -1.362 20 30 DAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)COCc1nncn1C ZINC001146208049 781412287 /nfs/dbraw/zinc/41/22/87/781412287.db2.gz 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CC(=O)N[C@](C)(C(=O)NCC[NH2+]CC(=O)NCC#N)C1CC1 ZINC001147466718 781442651 /nfs/dbraw/zinc/44/26/51/781442651.db2.gz UXXGYUQLIQYXKW-AWEZNQCLSA-N 1 0 309.370 -1.363 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCCN(C)C1=O ZINC001147634561 781448667 /nfs/dbraw/zinc/44/86/67/781448667.db2.gz NRLMEXIREBDYNW-GFCCVEGCSA-N 1 0 308.382 -1.300 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2n[nH]nc2C1 ZINC001147688887 781452057 /nfs/dbraw/zinc/45/20/57/781452057.db2.gz UFDCTVWUFIREOS-JTQLQIEISA-N 1 0 304.354 -1.635 20 30 DAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2n[nH]nc2C1 ZINC001147687648 781452506 /nfs/dbraw/zinc/45/25/06/781452506.db2.gz GUVUGJSTJJNHPR-VIFPVBQESA-N 1 0 305.342 -1.745 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCc2n[nH]nc2C1 ZINC001147699792 781455201 /nfs/dbraw/zinc/45/52/01/781455201.db2.gz RGTYZMGISQYARY-QWRGUYRKSA-N 1 0 318.381 -1.247 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001147711735 781455318 /nfs/dbraw/zinc/45/53/18/781455318.db2.gz DEBQVPOPNBNWEQ-UHFFFAOYSA-N 1 0 317.309 -2.514 20 30 DAEDRO CC(C)(C)[C@H](NC(N)=O)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001147777749 781457384 /nfs/dbraw/zinc/45/73/84/781457384.db2.gz DRRQLQIOXGFYLY-SNVBAGLBSA-N 1 0 312.374 -1.585 20 30 DAEDRO COCC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001148167834 781464383 /nfs/dbraw/zinc/46/43/83/781464383.db2.gz LCKYOXNKYWIYPX-LBPRGKRZSA-N 1 0 306.366 -1.148 20 30 DAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccc(N(C)C)nn1 ZINC001148135207 781465144 /nfs/dbraw/zinc/46/51/44/781465144.db2.gz DBFGBAGOEODINE-NSHDSACASA-N 1 0 318.381 -1.000 20 30 DAEDRO Cc1ccn2ncc(C(=O)NCC[NH2+]CC(=O)NCC#N)c2n1 ZINC001148174025 781467339 /nfs/dbraw/zinc/46/73/39/781467339.db2.gz TWXSOVRIKWUYDC-UHFFFAOYSA-N 1 0 315.337 -1.003 20 30 DAEDRO CC#CC[N@@H+]1CCC2(CN(C(=O)C[C@H](NC(C)=O)C(N)=O)C2)C1 ZINC001148391318 781470543 /nfs/dbraw/zinc/47/05/43/781470543.db2.gz SNXAFVIKEIVUHH-ZDUSSCGKSA-N 1 0 320.393 -1.076 20 30 DAEDRO C#Cc1ccc(C(=O)NCC[NH2+]CC(=O)NC(=O)NC)nc1 ZINC001148369986 781471062 /nfs/dbraw/zinc/47/10/62/781471062.db2.gz CPPGFGZWIJZTPA-UHFFFAOYSA-N 1 0 303.322 -1.162 20 30 DAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cn1nc(C)ccc1=O ZINC001148560002 781474636 /nfs/dbraw/zinc/47/46/36/781474636.db2.gz RNMVISBVPUXKMO-UHFFFAOYSA-N 1 0 305.338 -1.993 20 30 DAEDRO C=CC[N@H+]1CC[C@@H](NC(=O)CNC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099894995 781475207 /nfs/dbraw/zinc/47/52/07/781475207.db2.gz SQMGKDGCOYYMMH-VXGBXAGGSA-N 1 0 312.370 -2.024 20 30 DAEDRO C#CC[N@H+]1C[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@]2(C)C1 ZINC001091802431 781486199 /nfs/dbraw/zinc/48/61/99/781486199.db2.gz AGTNDLREMAIIGQ-DOMZBBRYSA-N 1 0 303.366 -1.005 20 30 DAEDRO C#CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 ZINC001099901941 781487224 /nfs/dbraw/zinc/48/72/24/781487224.db2.gz QSPMJXZNWNHXSW-ZJUUUORDSA-N 1 0 303.309 -1.058 20 30 DAEDRO C#CC[N@H+]1C[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@]2(C)C1 ZINC001092106481 781488832 /nfs/dbraw/zinc/48/88/32/781488832.db2.gz BNGZUIIPYNSWNN-ABAIWWIYSA-N 1 0 304.350 -1.048 20 30 DAEDRO CN(C)c1ccc(C(=O)NCCC[NH2+]CC(=O)NCC#N)nn1 ZINC001171431569 781524993 /nfs/dbraw/zinc/52/49/93/781524993.db2.gz ZTHIFDRRILAYED-UHFFFAOYSA-N 1 0 319.369 -1.108 20 30 DAEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)CCn2ncn(C)c2=O)[C@H](O)C1 ZINC001099935777 781547219 /nfs/dbraw/zinc/54/72/19/781547219.db2.gz UMRHZHFGYCFIBD-QWHCGFSZSA-N 1 0 321.381 -1.453 20 30 DAEDRO C#CCN1CC(N2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2=O)C1 ZINC001094814278 781581042 /nfs/dbraw/zinc/58/10/42/781581042.db2.gz DIRGARBUXLNQSA-CHWSQXEVSA-N 1 0 304.394 -1.027 20 30 DAEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001172301938 781588902 /nfs/dbraw/zinc/58/89/02/781588902.db2.gz ZBKOXXMUPNDYQF-CSQUYMEISA-N 1 0 322.361 -1.121 20 30 DAEDRO CC[C@H](C)OCC[C@@H](C)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001172323704 781589447 /nfs/dbraw/zinc/58/94/47/781589447.db2.gz DRUFKEBLHQRKFI-GSZZWUTPSA-N 1 0 307.387 -1.188 20 30 DAEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001172301939 781589818 /nfs/dbraw/zinc/58/98/18/781589818.db2.gz ZBKOXXMUPNDYQF-KLAMDUKHSA-N 1 0 322.361 -1.121 20 30 DAEDRO C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cnc(C(N)=O)n1)C2 ZINC001094924842 781591242 /nfs/dbraw/zinc/59/12/42/781591242.db2.gz PWDSIPVEJQJZRR-SRVKXCTJSA-N 1 0 316.365 -1.021 20 30 DAEDRO C=CCCC[N@@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@H](O)C1 ZINC001099942793 781593295 /nfs/dbraw/zinc/59/32/95/781593295.db2.gz XEOQFDDNUDPPFV-UONOGXRCSA-N 1 0 324.425 -1.064 20 30 DAEDRO N#CCC1CCC([NH2+][C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)CC1 ZINC001173330330 781593743 /nfs/dbraw/zinc/59/37/43/781593743.db2.gz QCECVKKQSLAETH-UXGMPZPXSA-N 1 0 300.355 -1.152 20 30 DAEDRO C=CC[NH2+]C1CCN(C(=O)[C@H](C)NC(=O)Cn2cnnn2)CC1 ZINC001203254774 781594287 /nfs/dbraw/zinc/59/42/87/781594287.db2.gz AZCKRCZDQOTGLF-NSHDSACASA-N 1 0 321.385 -1.056 20 30 DAEDRO 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