smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)S(=O)(=O)N1Cc2cncn2[C@H](CC[NH+](C)C)C1 ZINC000306126782 231085597 /nfs/dbraw/zinc/08/55/97/231085597.db2.gz FFEXCTHCVYEESX-LLVKDONJSA-N 1 0 301.416 -0.002 40 0 DBABRO C[NH+](C)[C@@H]1CO[C@H](CNS(=O)(=O)c2ccccc2)[C@H]1O ZINC000077264588 282227309 /nfs/dbraw/zinc/22/73/09/282227309.db2.gz PWMRGJLYVBTLQH-UPJWGTAASA-N 1 0 300.380 -0.345 40 0 biogenic,in-vitro DBABRO O=c1[nH]cc(C[N@H+]2CC[C@@](O)(CN3CCOCC3)C2)c(=O)[nH]1 ZINC000257277911 203005752 /nfs/dbraw/zinc/00/57/52/203005752.db2.gz OAAGLXHMKGBPKI-CQSZACIVSA-N 1 0 310.354 -0.843 40 0 DBABRO CC(=O)NC1CC[NH+](C[C@]2(O)CCN(C(=O)C3CC3)C2)CC1 ZINC000257296214 203021351 /nfs/dbraw/zinc/02/13/51/203021351.db2.gz RBTBEAIHCKNACT-MRXNPFEDSA-N 1 0 309.410 -0.040 40 0 DBABRO O=C(N[C@@H]1C[N@@H+](CC2(O)CCOCC2)C[C@H]1O)c1ccccn1 ZINC000257280320 203008055 /nfs/dbraw/zinc/00/80/55/203008055.db2.gz OKKAMKMTCOQOLG-ZIAGYGMSSA-N 1 0 321.377 -0.602 40 0 DBABRO O=C(c1c[nH]c(=O)[nH]c1=O)N1CC[C@](O)(C[NH+]2CCCC2)C1 ZINC000257284816 203011846 /nfs/dbraw/zinc/01/18/46/203011846.db2.gz PELHZCQFJXBWOH-AWEZNQCLSA-N 1 0 308.338 -0.439 40 0 DBABRO CS(=O)(=O)NC[C@]1(O)CC[N@H+](CC2CCCCC2)C[C@H]1O ZINC000257317727 203042334 /nfs/dbraw/zinc/04/23/34/203042334.db2.gz VKXBRSLTPIZDQC-ZIAGYGMSSA-N 1 0 320.455 -0.086 40 0 DBABRO Nc1ncnc2c1ncn2[C@H]1CCC[C@H](NC(=O)CC[NH3+])[C@@H]1O ZINC000257340778 203062442 /nfs/dbraw/zinc/06/24/42/203062442.db2.gz ZHNIASTYMRTMJY-AUTRQRHGSA-N 1 0 319.369 -0.672 40 0 DBABRO OC[C@@H]1O[C@H](C[NH2+]C2CCOCC2)[C@H](N2CCCCC2)[C@@H]1O ZINC000020465727 182220891 /nfs/dbraw/zinc/22/08/91/182220891.db2.gz CRZPOKMEBIHMSR-FXUDXRNXSA-N 1 0 314.426 -0.270 40 0 biogenic,in-vitro DBABRO CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCC[NH+](C)C)C1 ZINC000030848241 374432043 /nfs/dbraw/zinc/43/20/43/374432043.db2.gz CKEHLVHJINWCGV-NSHDSACASA-N 1 0 306.432 -0.817 40 0 DBABRO COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CCC([NH3+])CC1 ZINC000096517049 374641285 /nfs/dbraw/zinc/64/12/85/374641285.db2.gz PQCKRKTYJNXKKW-UHFFFAOYSA-N 1 0 302.356 -0.383 40 0 DBABRO C[NH+](C)CC(=O)N1Cc2ccnn2CC[C@H]1CN1CCOCC1 ZINC000585097332 374741118 /nfs/dbraw/zinc/74/11/18/374741118.db2.gz KGDOXFFXMNKKES-AWEZNQCLSA-N 1 0 321.425 -0.122 40 0 DBABRO Cn1cc(N2C[C@@]3(CCC[N@H+](C[C@@H](O)CO)C3)C2=O)ccc1=O ZINC000585099677 374742522 /nfs/dbraw/zinc/74/25/22/374742522.db2.gz WUBURASJTIKINM-CJNGLKHVSA-N 1 0 321.377 -0.833 40 0 DBABRO CNC(=O)C[N@@H+]1CC[C@@H](OC)[C@H](CC(=O)N2CCOCC2)C1 ZINC000585274289 374869810 /nfs/dbraw/zinc/86/98/10/374869810.db2.gz IESARCOSLGLECM-CHWSQXEVSA-N 1 0 313.398 -0.682 40 0 DBABRO CC(=O)N1CCC(O)(C[N@@H+](C)[C@]2(C)CCS(=O)(=O)C2)CC1 ZINC000585285347 374877977 /nfs/dbraw/zinc/87/79/77/374877977.db2.gz XRYKGSRKTVQTAI-CYBMUJFWSA-N 1 0 318.439 -0.131 40 0 DBABRO C[N@H+](CC1CCN(Cc2cc[nH]n2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585291693 374882635 /nfs/dbraw/zinc/88/26/35/374882635.db2.gz RTLXFJSMMIGKNI-OAGGEKHMSA-N 1 0 324.425 -0.326 40 0 DBABRO C[NH2+][C@H]1CC2(CCN(S(=O)(=O)N(C)C)CC2)OC[C@]1(C)O ZINC000257209807 377234913 /nfs/dbraw/zinc/23/49/13/377234913.db2.gz BRYKJNQITYDXIV-RYUDHWBXSA-N 1 0 321.443 -0.613 40 0 DBABRO Nc1nc2c(c(N)n1)C[C@@]1(CCN(C(=O)C3CC[NH2+]CC3)C1)O2 ZINC000257218212 377236148 /nfs/dbraw/zinc/23/61/48/377236148.db2.gz DCGQZRSBWQNUET-OAHLLOKOSA-N 1 0 318.381 -0.453 40 0 DBABRO CN1CC[NH+](C[C@]2(O)CCN(C(=O)c3cccc(=O)[nH]3)C2)CC1 ZINC000257237194 377237568 /nfs/dbraw/zinc/23/75/68/377237568.db2.gz HFNOFNMXOFGGRY-MRXNPFEDSA-N 1 0 320.393 -0.388 40 0 DBABRO COCCN1C(=O)CO[C@H]2CC[N@@H+](CC(=O)N(C)C)CC[C@@H]21 ZINC000257239508 377239246 /nfs/dbraw/zinc/23/92/46/377239246.db2.gz HPPVLAHBILKTIR-STQMWFEESA-N 1 0 313.398 -0.587 40 0 DBABRO C[N@H+](CCO)[C@@H]1CCC[C@H]([NH+]2CCC(C(=O)[O-])CC2)[C@H]1O ZINC000257231561 377239363 /nfs/dbraw/zinc/23/93/63/377239363.db2.gz GHGKFNGXCYVGMS-RDBSUJKOSA-N 1 0 300.399 -0.011 40 0 DBABRO Cc1nc(CCC(=O)NCC(N)=O)cc(C2CC[NH2+]CC2)n1 ZINC000257239350 377239444 /nfs/dbraw/zinc/23/94/44/377239444.db2.gz HOXRNYALVKGZEC-UHFFFAOYSA-N 1 0 305.382 -0.214 40 0 DBABRO CC(C)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnccn2)[C@H](O)C1 ZINC000257254755 377241838 /nfs/dbraw/zinc/24/18/38/377241838.db2.gz KENJDXKJUCTOII-UKRRQHHQSA-N 1 0 308.382 -0.340 40 0 DBABRO CC(C)NC(=O)NC[C@H]1OC[C@@H]([NH2+]C2CCN(C)CC2)[C@@H]1O ZINC000077265450 379828545 /nfs/dbraw/zinc/82/85/45/379828545.db2.gz JTVNSTMLJILXGM-MCIONIFRSA-N 1 0 314.430 -0.494 40 0 biogenic,in-vitro DBABRO COc1nc(OC)nc(N2CC[C@@](O)(C[NH+]3CCCC3)C2)n1 ZINC000257271352 256621527 /nfs/dbraw/zinc/62/15/27/256621527.db2.gz MXYNIFRPYSXPBX-CQSZACIVSA-N 1 0 309.370 -0.074 40 0 DBABRO CN(CCO)CCOC(=S)N[C@]1(C)CCS(=O)(=O)C1 ZINC000040168423 257129372 /nfs/dbraw/zinc/12/93/72/257129372.db2.gz RKTMFAICMMYEOW-LLVKDONJSA-N 1 0 310.441 -0.621 40 0 DBABRO CN(CCO)CCOC(=S)NC[C@H]1CCS(=O)(=O)C1 ZINC000040168432 257129647 /nfs/dbraw/zinc/12/96/47/257129647.db2.gz STPGTNOZWFVFFJ-SNVBAGLBSA-N 1 0 310.441 -0.764 40 0 DBABRO CC[NH+](CC)C[C@@H]1OC[C@@H](NC(=O)C2CCOCC2)[C@H]1O ZINC000514289432 257216185 /nfs/dbraw/zinc/21/61/85/257216185.db2.gz UEFNUVQEMMQIHV-HZSPNIEDSA-N 1 0 300.399 -0.001 40 0 biogenic,in-vitro DBABRO CC(C)C(=O)N1CC2(C1)C[N@H+](CCCO)C[C@@H]1C[C@@H](O)CN12 ZINC000514289853 257215720 /nfs/dbraw/zinc/21/57/20/257215720.db2.gz PHAWDXBQBVKNTI-UONOGXRCSA-N 1 0 311.426 -0.643 40 0 biogenic,in-vitro DBABRO Cc1n[nH]c(C)c1CCC(=O)N1CC[N@@H+](C)C[C@H](C(N)=O)C1 ZINC000257227023 392895545 /nfs/dbraw/zinc/89/55/45/392895545.db2.gz FNHLFHVXMGGYTG-LBPRGKRZSA-N 1 0 307.398 -0.165 40 0 DBABRO CCn1ncc(S(=O)(=O)N2C[C@@H](O)[C@H]([NH+](C)C)C2)c1C ZINC000257330962 392897763 /nfs/dbraw/zinc/89/77/63/392897763.db2.gz XQUADICRVLBKRU-GHMZBOCLSA-N 1 0 302.400 -0.493 40 0 DBABRO CNC(=O)[C@@H]1CN(c2nc(OC)nc(OC)n2)CC[N@H+](C)C1 ZINC000257261058 392898041 /nfs/dbraw/zinc/89/80/41/392898041.db2.gz LFNRXXKKWRRULA-VIFPVBQESA-N 1 0 310.358 -0.997 40 0 DBABRO CC[NH+]1CCC(N2C[C@@H](O)[C@H](NC(=O)c3ccn[nH]3)C2)CC1 ZINC000257337016 279258716 /nfs/dbraw/zinc/25/87/16/279258716.db2.gz YQZOMICEIUWCFB-ZIAGYGMSSA-N 1 0 307.398 -0.331 40 0 DBABRO C[NH+](C)CCOCc1nnn2c1CN(S(C)(=O)=O)CCC2 ZINC000096058837 289171066 /nfs/dbraw/zinc/17/10/66/289171066.db2.gz OKOCGEWQHVCUKT-UHFFFAOYSA-N 1 0 317.415 -0.478 40 0 DBABRO NC(=[NH2+])NCCC[C@@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000002560983 303219812 /nfs/dbraw/zinc/21/98/12/303219812.db2.gz PQBHGSGQZSOLIR-NEPJUHHUSA-N 1 0 321.381 -0.611 40 0 endogenous,in-man DBABRO Cc1nccn1[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]C2CCN(C)CC2)[C@@H]1O ZINC000952844795 809005882 /nfs/dbraw/zinc/00/58/82/809005882.db2.gz JKPGFJMLIWMYMB-DGXTUMSLSA-N 1 0 322.409 -0.099 40 0 biogenic,in-vitro DBABRO CO[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(Cn2cc(C)cn2)on1 ZINC001548338121 1015560069 /nfs/dbraw/zinc/56/00/69/1015560069.db2.gz VPBKCUWIZOQEBJ-QWHCGFSZSA-N 1 0 305.338 -0.056 40 0 DBABRO COC(=O)SC[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)[O-] ZINC000095869832 291210798 /nfs/dbraw/zinc/21/07/98/291210798.db2.gz YFFWSBNJVSEWRX-YUMQZZPRSA-N 1 0 307.372 -0.488 40 0 DBABRO NC(=O)[C@@H](CO)NC(=O)c1ccc[n+](Cc2ccccc2)c1 ZINC000006575276 181356541 /nfs/dbraw/zinc/35/65/41/181356541.db2.gz LZBBAFHYZRRJSH-CQSZACIVSA-O 1 0 300.338 -0.402 40 0 DBABRO C[C@@]1(O)CN(C(=O)CCC[NH3+])CC[C@H]1n1ccc(=O)[nH]c1=O ZINC000257263434 202995611 /nfs/dbraw/zinc/99/56/11/202995611.db2.gz LPXMISLWQSNRKC-QMTHXVAHSA-N 1 0 310.354 -0.788 40 0 DBABRO Cc1nc(C2CC[NH+]([C@@H]3COC[C@H]3O)CC2)ncc1C(N)=O ZINC000257276838 203007066 /nfs/dbraw/zinc/00/70/66/203007066.db2.gz NVJBTTLXDBRJEB-CHWSQXEVSA-N 1 0 306.366 -0.177 40 0 DBABRO O=C(c1c[nH]c(=O)[nH]c1=O)N1CC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000257284817 203012683 /nfs/dbraw/zinc/01/26/83/203012683.db2.gz PELHZCQFJXBWOH-CQSZACIVSA-N 1 0 308.338 -0.439 40 0 DBABRO CCN(CC)S(=O)(=O)N1CC[N@H+](C)C[C@@H](C(=O)NC)C1 ZINC000257327320 203051273 /nfs/dbraw/zinc/05/12/73/203051273.db2.gz XAXXKHPREZYBEK-LLVKDONJSA-N 1 0 306.432 -0.817 40 0 DBABRO COC(=O)[C@@H]1CN(C(=O)C[NH3+])CCN1C(=O)OC(C)(C)C ZINC000079418542 291458119 /nfs/dbraw/zinc/45/81/19/291458119.db2.gz RDIBFQDEIYIAGR-VIFPVBQESA-N 1 0 301.343 -0.434 40 0 DBABRO CCCC[N@H+](CCO)C[C@H](O)Cn1cnc2c1ncnc2N ZINC000001588043 374241865 /nfs/dbraw/zinc/24/18/65/374241865.db2.gz CFSDUSRVHUYZSK-NSHDSACASA-N 1 0 308.386 -0.136 40 0 DBABRO O=C(Cc1ccccc1)N1CC[C@H](O)[C@@](O)(CN2CC(O)C2)C1 ZINC000585283586 374876513 /nfs/dbraw/zinc/87/65/13/374876513.db2.gz FGQFOOJKXNOZJI-DOTOQJQBSA-N 1 0 320.389 -0.770 40 0 DBABRO O=C(C[NH2+]C[C@@H]1COC[C@@H](O)[C@H]1O)NCCc1ccccc1 ZINC000585286722 374879041 /nfs/dbraw/zinc/87/90/41/374879041.db2.gz OLGZBHFJIPUPPL-FMKPAKJESA-N 1 0 308.378 -0.697 40 0 DBABRO O=C(C[NH2+]C[C@@H]1COC[C@@H](O)[C@H]1O)NCc1ccc(F)cc1 ZINC000585286607 374879309 /nfs/dbraw/zinc/87/93/09/374879309.db2.gz NEIYSQXHIDEXLU-KYOSRNDESA-N 1 0 312.341 -0.600 40 0 DBABRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)c3cnccn3)C[C@H]21 ZINC000096054309 374845943 /nfs/dbraw/zinc/84/59/43/374845943.db2.gz FIXSWEOPPRNDNE-KGLIPLIRSA-N 1 0 305.382 -0.437 40 0 DBABRO Cn1cnc(S(=O)(=O)N2C[C@@H]3COC[C@]3(C[NH+](C)C)C2)c1 ZINC000096108249 374848287 /nfs/dbraw/zinc/84/82/87/374848287.db2.gz VMCRIIZTNABRDQ-YPMHNXCESA-N 1 0 314.411 -0.381 40 0 DBABRO C[NH+](C)CCO[C@H]1CN(C(=O)c2ccnnc2)[C@@H]2COC[C@H]12 ZINC000096184991 374851989 /nfs/dbraw/zinc/85/19/89/374851989.db2.gz UFBQNOQGXNDRBO-MJBXVCDLSA-N 1 0 306.366 -0.106 40 0 DBABRO CCOCCCNC(=O)C(=O)NCCCN1CCOCC1 ZINC000170335554 375165277 /nfs/dbraw/zinc/16/52/77/375165277.db2.gz LLSOGYUVTOVOLE-UHFFFAOYSA-N 1 0 301.387 -0.632 40 0 DBABRO COCCNC(=O)[C@@H]1CN(C(=O)CC[NH+](C)C)Cc2ccnn21 ZINC000575404674 375234470 /nfs/dbraw/zinc/23/44/70/375234470.db2.gz CZPYMGJYKJXFLX-ZDUSSCGKSA-N 1 0 323.397 -0.519 40 0 DBABRO [NH3+]C[C@H]1O[C@@H]2C[C@H](CC(=O)NCc3cccnc3)O[C@@H]2[C@@H]1O ZINC000604381059 376621738 /nfs/dbraw/zinc/62/17/38/376621738.db2.gz CWETYUJZRVDCKQ-FWZIUSJTSA-N 1 0 307.350 -0.668 40 0 biogenic,in-vitro DBABRO COc1cccc(S(=O)(=O)N2C[C@@H](O)[C@H]([NH+](C)C)C2)c1 ZINC000257209527 377234720 /nfs/dbraw/zinc/23/47/20/377234720.db2.gz BQTGBRPGWXFBDP-CHWSQXEVSA-N 1 0 300.380 -0.009 40 0 DBABRO CC(=O)N1CCC([N@@H+]2CCN(C(C)=O)C[C@@H](C(N)=O)C2)CC1 ZINC000257219264 377235497 /nfs/dbraw/zinc/23/54/97/377235497.db2.gz DGFCTOBQQSBKQK-CYBMUJFWSA-N 1 0 310.398 -0.737 40 0 DBABRO COCC(=O)NC[C@]1(O)CC[N@H+](Cc2ccsc2)C[C@H]1O ZINC000257238053 377238072 /nfs/dbraw/zinc/23/80/72/377238072.db2.gz HJJJXRQLHAYRJK-TZMCWYRMSA-N 1 0 314.407 -0.192 40 0 DBABRO C[C@@]1(O)CCN(C(=O)CCCC[NH3+])C[C@H]1n1ccc(=O)[nH]c1=O ZINC000257261986 377240170 /nfs/dbraw/zinc/24/01/70/377240170.db2.gz LJNVOXFWOIVLAN-IAQYHMDHSA-N 1 0 324.381 -0.398 40 0 DBABRO CC(=O)N1CCC([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cnc[nH]3)C2)CC1 ZINC000257244221 377240462 /nfs/dbraw/zinc/24/04/62/377240462.db2.gz IKKQKVCUPAIKBT-ZIAGYGMSSA-N 1 0 321.381 -0.805 40 0 DBABRO Cc1cc(C(=O)N2CC[N@@H+](C)C[C@@H](C(N)=O)C2)c(=O)[nH]c1C ZINC000257251226 377241364 /nfs/dbraw/zinc/24/13/64/377241364.db2.gz JPYNPPNBHNQTDM-LLVKDONJSA-N 1 0 306.366 -0.107 40 0 DBABRO Cc1ccc(S(=O)(=O)NC[C@H]2OC[C@@H]([NH+](C)C)[C@@H]2O)cc1 ZINC000077264692 379828740 /nfs/dbraw/zinc/82/87/40/379828740.db2.gz NFKPZEJVIURWQE-MCIONIFRSA-N 1 0 314.407 -0.037 40 0 biogenic,in-vitro DBABRO CN(CCO)CCOC(=S)NC[C@@H]1CCS(=O)(=O)C1 ZINC000040168430 257130036 /nfs/dbraw/zinc/13/00/36/257130036.db2.gz STPGTNOZWFVFFJ-JTQLQIEISA-N 1 0 310.441 -0.764 40 0 DBABRO CCCNC(=O)N[C@H]1CO[C@@H](C[N@@H+]2CCC[C@@H]2COC)[C@@H]1O ZINC000514289077 257215923 /nfs/dbraw/zinc/21/59/23/257215923.db2.gz SKZCUMBAIOLMMC-ZOBORPQBSA-N 1 0 315.414 -0.065 40 0 biogenic,in-vitro DBABRO CC[NH+](CC)C[C@@H]1OC[C@H](NC(=O)N2CCOCC2)[C@H]1O ZINC000514289017 257215962 /nfs/dbraw/zinc/21/59/62/257215962.db2.gz MBTCNSZTWYDRKT-RWMBFGLXSA-N 1 0 301.387 -0.502 40 0 biogenic,in-vitro DBABRO C[NH+](C)CCN1CCc2ncc(CNS(C)(=O)=O)n2CC1 ZINC000096197028 392490498 /nfs/dbraw/zinc/49/04/98/392490498.db2.gz ALBGTHVUVOVENS-UHFFFAOYSA-N 1 0 315.443 -0.648 40 0 DBABRO CC(=O)N1CCC([N@@H+]2CCN(C(C)=O)C[C@H](C(N)=O)C2)CC1 ZINC000257219265 392894771 /nfs/dbraw/zinc/89/47/71/392894771.db2.gz DGFCTOBQQSBKQK-ZDUSSCGKSA-N 1 0 310.398 -0.737 40 0 DBABRO NC(=O)c1ccnc2c1ccn2[C@@H]1CN(C(=O)CC[NH3+])C[C@H]1O ZINC000257260986 392895702 /nfs/dbraw/zinc/89/57/02/392895702.db2.gz LFILRBWHZCMZDJ-VXGBXAGGSA-N 1 0 317.349 -0.772 40 0 DBABRO CNC(=O)[C@@H]1CN(S(C)(=O)=O)CC[N@@H+](C2CCOCC2)C1 ZINC000257326135 392896910 /nfs/dbraw/zinc/89/69/10/392896910.db2.gz WVYXUZKDZMFCOK-NSHDSACASA-N 1 0 319.427 -0.895 40 0 DBABRO CN(C(=O)Cn1cnnn1)C1CC[NH+](CCn2cccn2)CC1 ZINC000329250755 544477770 /nfs/dbraw/zinc/47/77/70/544477770.db2.gz XUBVSTCLTXQTIW-UHFFFAOYSA-N 1 0 318.385 -0.507 40 0 DBABRO CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1NC(=O)c1cc(C)c(C)[nH]c1=O ZINC000257212112 277245620 /nfs/dbraw/zinc/24/56/20/277245620.db2.gz CBZXVYSJNSTQIA-NEPJUHHUSA-N 1 0 306.366 -0.190 40 0 DBABRO Cc1nccn1[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]Cc2cncnc2)[C@@H]1O ZINC001534640235 1015259067 /nfs/dbraw/zinc/25/90/67/1015259067.db2.gz XVAHTERNXRVCEX-ARILJUKYSA-N 1 0 317.349 -0.203 40 0 DBABRO C[NH+](C)CCCO[C@H]1[C@@H]([C@@H](O)CO)O[C@@H]2OC(C)(C)O[C@@H]21 ZINC000004175652 282087514 /nfs/dbraw/zinc/08/75/14/282087514.db2.gz YXBQLONCIPUQKO-OBPIAQAESA-N 1 0 305.371 -0.447 40 0 in-man DBABRO CNC(=O)[C@@H]1CN(C(C)=O)CCN(C(=O)C2([NH3+])CCCC2)C1 ZINC000257301387 203025193 /nfs/dbraw/zinc/02/51/93/203025193.db2.gz RYHBMSUTPOREOC-GFCCVEGCSA-N 1 0 310.398 -0.689 40 0 DBABRO Cn1cc(C(=O)N2CC[C@](O)(C[NH+]3CCN(C)CC3)C2)cn1 ZINC000257307765 203031528 /nfs/dbraw/zinc/03/15/28/203031528.db2.gz TUAGUIKOKSHNHG-HNNXBMFYSA-N 1 0 307.398 -0.756 40 0 DBABRO CCc1nccn1CCC(=O)N1CC[N@H+](C)C[C@@H](C(=O)NC)C1 ZINC000257279765 203008856 /nfs/dbraw/zinc/00/88/56/203008856.db2.gz OICCSUQXUNTLFM-CYBMUJFWSA-N 1 0 321.425 -0.028 40 0 DBABRO COc1cc(CCC(=O)N2CC[N@H+](C)C[C@H](C(N)=O)C2)on1 ZINC000257336943 203057837 /nfs/dbraw/zinc/05/78/37/203057837.db2.gz YQRVDXMXSUTSSY-JTQLQIEISA-N 1 0 310.354 -0.509 40 0 DBABRO [NH3+]CCc1ccc(C(=O)N2CC[C@H]3OCC(=O)N[C@H]3C2)cc1 ZINC000257322199 203046999 /nfs/dbraw/zinc/04/69/99/203046999.db2.gz WEZUXGISSJHJCE-UONOGXRCSA-N 1 0 303.362 -0.083 40 0 DBABRO Cn1cc(N2C[C@]3(CCC[N@H+](C[C@@H](O)CO)C3)C2=O)ccc1=O ZINC000585099678 374742967 /nfs/dbraw/zinc/74/29/67/374742967.db2.gz WUBURASJTIKINM-CZUORRHYSA-N 1 0 321.377 -0.833 40 0 DBABRO CNC(=O)CC[C@@]1(O)CCCN(CC(=O)N2CCOCC2)C1 ZINC000585278794 374871909 /nfs/dbraw/zinc/87/19/09/374871909.db2.gz VJFXENOQPSQDCZ-HNNXBMFYSA-N 1 0 313.398 -0.802 40 0 DBABRO C[N@H+](CCO)C[C@]1(O)CN(C(=O)Cc2ccccc2)CC[C@H]1O ZINC000585283555 374877457 /nfs/dbraw/zinc/87/74/57/374877457.db2.gz ANPBBNUHOAHBMC-WBVHZDCISA-N 1 0 322.405 -0.523 40 0 DBABRO Cn1cc(C[N@@H+]2C[C@@H]3COC[C@]3(C(=O)N3CCOCC3)C2)cn1 ZINC000096208500 374850385 /nfs/dbraw/zinc/85/03/85/374850385.db2.gz ZOZQNRQTJVPVEC-GDBMZVCRSA-N 1 0 320.393 -0.273 40 0 DBABRO Cn1c(=O)oc2ccc(C(=O)N3C[C@@H](O)[C@H]([NH+](C)C)C3)cc21 ZINC000257232392 377237873 /nfs/dbraw/zinc/23/78/73/377237873.db2.gz GKRVMYLQPSUGDR-VXGBXAGGSA-N 1 0 305.334 -0.122 40 0 DBABRO CCS(=O)(=O)N1CC[N@@H+](C2CCOCC2)C[C@H](C(N)=O)C1 ZINC000257258708 377241458 /nfs/dbraw/zinc/24/14/58/377241458.db2.gz KVEOCCUNDWEIHG-NSHDSACASA-N 1 0 319.427 -0.766 40 0 DBABRO CCc1noc(CCC(=O)N2CC[N@H+](C)C[C@H](C(=O)NC)C2)n1 ZINC000257265882 377244504 /nfs/dbraw/zinc/24/45/04/377244504.db2.gz MASSTXYXVVFUFU-NSHDSACASA-N 1 0 323.397 -0.299 40 0 DBABRO OCCNc1nc(NCCN2CCOCC2)cc(C2CC2)[nH+]1 ZINC000329067356 378411669 /nfs/dbraw/zinc/41/16/69/378411669.db2.gz YIFFXDBZXCZWSF-UHFFFAOYSA-N 1 0 307.398 -0.654 40 0 DBABRO O=C(NC[C@H]1OC[C@@H](NC2CC[NH2+]CC2)[C@@H]1O)c1ccccc1 ZINC000077264295 379828449 /nfs/dbraw/zinc/82/84/49/379828449.db2.gz CBRIRUUZMNCKNL-OAGGEKHMSA-N 1 0 319.405 -0.114 40 0 biogenic,in-vitro DBABRO C[NH2+]CC(=O)N1CCC[C@@]2(Cc3c(nc(N)nc3N)O2)CC1 ZINC000257336018 382542454 /nfs/dbraw/zinc/54/24/54/382542454.db2.gz YMUXKHLKDDXELS-AWEZNQCLSA-N 1 0 306.370 -0.453 40 0 DBABRO CC(C)(C)C[NH2+][C@@H]1CO[C@H](CNC(=O)N2CCOCC2)[C@H]1O ZINC000096296127 382608837 /nfs/dbraw/zinc/60/88/37/382608837.db2.gz JZECTYGCPAFUCJ-UPJWGTAASA-N 1 0 315.414 -0.208 40 0 biogenic,in-vitro DBABRO CN(CCO)CCOC(=S)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000040168421 257129457 /nfs/dbraw/zinc/12/94/57/257129457.db2.gz RKTMFAICMMYEOW-NSHDSACASA-N 1 0 310.441 -0.621 40 0 DBABRO O=C(NCC[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O)C1CCCCC1 ZINC000217344511 257132612 /nfs/dbraw/zinc/13/26/12/257132612.db2.gz XFXCHVGSIXEUSV-VXGBXAGGSA-N 1 0 304.412 -0.570 40 0 DBABRO [NH2+]=C1NC(N2CCOCC2)=N[C@]2(N1)c1ccccc1NC2=O ZINC000019332732 392806406 /nfs/dbraw/zinc/80/64/06/392806406.db2.gz PNKFEWKDZKZHEA-CQSZACIVSA-N 1 0 300.322 -0.602 40 0 DBABRO C[C@H]1OCCN[C@@H]1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000262295771 544697287 /nfs/dbraw/zinc/69/72/87/544697287.db2.gz PDCRGDGXEZNHJH-VWYCJHECSA-N 1 0 324.347 -0.684 40 0 DBABRO C[NH+](C)CC(=O)N1CCC[C@]2(CCCN2S(C)(=O)=O)C1 ZINC000096215166 289073661 /nfs/dbraw/zinc/07/36/61/289073661.db2.gz XTJZOGBOSXFDII-ZDUSSCGKSA-N 1 0 303.428 -0.035 40 0 DBABRO NC(=O)[C@H]1CN(c2ncccn2)CC[N@@H+](C2CCOCC2)C1 ZINC000257338753 295157761 /nfs/dbraw/zinc/15/77/61/295157761.db2.gz YYVJZEXMYMQQLV-GFCCVEGCSA-N 1 0 305.382 -0.121 40 0 DBABRO [NH3+]CC(=O)N1CCC[C@]1(C(=O)N1CCCC1)c1cnccn1 ZINC000257267254 303366560 /nfs/dbraw/zinc/36/65/60/303366560.db2.gz MGOKNZNPUWOOTF-OAHLLOKOSA-N 1 0 303.366 -0.125 40 0 DBABRO Cn1cc(C[NH2+][C@@H]2[C@H]3CO[C@H](O3)[C@H](n3ccnc3)[C@H]2O)cn1 ZINC000952844924 809005825 /nfs/dbraw/zinc/00/58/25/809005825.db2.gz UDJDIXMRKHAJKO-XGFWRYKXSA-N 1 0 305.338 -0.568 40 0 biogenic,in-vitro DBABRO Cc1nccn1[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]C2CCOCC2)[C@@H]1O ZINC000952844821 809005847 /nfs/dbraw/zinc/00/58/47/809005847.db2.gz LRVRJHDYKSYJDQ-ARILJUKYSA-N 1 0 309.366 -0.014 40 0 biogenic,in-vitro DBABRO Cc1nccn1[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]Cc2cnn(C)c2)[C@@H]1O ZINC000952845027 809006332 /nfs/dbraw/zinc/00/63/32/809006332.db2.gz ZCZPRYOKOHCKHY-ARILJUKYSA-N 1 0 319.365 -0.259 40 0 biogenic,in-vitro DBABRO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CC[NH2+]CC3)C1=O ZINC000306133424 529812057 /nfs/dbraw/zinc/81/20/57/529812057.db2.gz MKSXJYPKOFYAAZ-ZDUSSCGKSA-N 1 0 301.412 -0.520 40 0 DBABRO CC[C@H]([NH3+])C(=O)N1CCOCCOCCOCCOCC1 ZINC000005004334 181188997 /nfs/dbraw/zinc/18/89/97/181188997.db2.gz JXEWHKXEFOLTIX-ZDUSSCGKSA-N 1 0 304.387 -0.368 40 0 DBABRO CS(=O)(=O)N1CCC(c2nc(SCC[NH3+])n[nH]2)CC1 ZINC000224979404 201682520 /nfs/dbraw/zinc/68/25/20/201682520.db2.gz JHVDPHFCJPQUAJ-UHFFFAOYSA-N 1 0 305.429 -0.006 40 0 DBABRO CNC(=O)[C@@H]1CN(C(=O)CCn2nccc2C)CC[N@H+](C)C1 ZINC000257286808 203013137 /nfs/dbraw/zinc/01/31/37/203013137.db2.gz PNDIXRWUNRBOSF-ZDUSSCGKSA-N 1 0 307.398 -0.282 40 0 DBABRO CN(CC(=O)N1CC[N@H+](C)C[C@H](C(N)=O)C1)Cc1cccnc1 ZINC000257287454 203013677 /nfs/dbraw/zinc/01/36/77/203013677.db2.gz PQAXYHYGHUGLHK-AWEZNQCLSA-N 1 0 319.409 -0.611 40 0 DBABRO CNc1cc(N2CCC[C@](O)(CNC(=O)C[NH2+]C)C2)ncn1 ZINC000257289768 203015516 /nfs/dbraw/zinc/01/55/16/203015516.db2.gz QACHGUATTDTXSP-AWEZNQCLSA-N 1 0 308.386 -0.815 40 0 DBABRO CCN(CC)S(=O)(=O)N1CC[N@H+](C)C[C@H](C(=O)NC)C1 ZINC000257327321 203051022 /nfs/dbraw/zinc/05/10/22/203051022.db2.gz XAXXKHPREZYBEK-NSHDSACASA-N 1 0 306.432 -0.817 40 0 DBABRO C[NH+]1CCC(N2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)CC1 ZINC000257320648 203045294 /nfs/dbraw/zinc/04/52/94/203045294.db2.gz VXSVDUOHZSGQPI-HUUCEWRRSA-N 1 0 304.394 -0.049 40 0 DBABRO NC(=O)c1cnc2c(ccn2[C@@H]2CN(C(=O)CC[NH3+])C[C@H]2O)c1 ZINC000257322311 203047741 /nfs/dbraw/zinc/04/77/41/203047741.db2.gz WFLDHOJISSELCZ-VXGBXAGGSA-N 1 0 317.349 -0.772 40 0 DBABRO COC(=O)[C@H]1C([O-])=NC(N2CC[NH+](C)CC2)=[NH+][C@@H]1c1ccco1 ZINC000019818122 374390814 /nfs/dbraw/zinc/39/08/14/374390814.db2.gz IBVCFWSBQAFPDR-VXGBXAGGSA-N 1 0 320.349 -0.157 40 0 DBABRO O[C@H](COCCOCCN1CCOCC1)CN1CCOCC1 ZINC000035061599 374469841 /nfs/dbraw/zinc/46/98/41/374469841.db2.gz TZZQGVUMVFEHSR-HNNXBMFYSA-N 1 0 318.414 -0.955 40 0 DBABRO O[C@@H](COCCOCCN1CCOCC1)CN1CCOCC1 ZINC000035061595 374470391 /nfs/dbraw/zinc/47/03/91/374470391.db2.gz TZZQGVUMVFEHSR-OAHLLOKOSA-N 1 0 318.414 -0.955 40 0 DBABRO CN1CCC[N@H+](CC(=O)[O-])CCN(C)CCC[NH+](C)CC1 ZINC000068604257 374675173 /nfs/dbraw/zinc/67/51/73/374675173.db2.gz ZTOKYFMJUSULMF-UHFFFAOYSA-N 1 0 300.447 -0.038 40 0 DBABRO O=C(NC1CC1)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CCO)nn1 ZINC000008298463 374754944 /nfs/dbraw/zinc/75/49/44/374754944.db2.gz MEKSMQHNROYIMZ-DFBGVHRSSA-N 1 0 319.409 -0.198 40 0 biogenic,in-vitro DBABRO O=C1N(Cc2cncs2)C[C@]12CCC[N@@H+](C[C@@H](O)CO)C2 ZINC000585099639 374742575 /nfs/dbraw/zinc/74/25/75/374742575.db2.gz UFWAFJMAJZRJTQ-BXUZGUMPSA-N 1 0 311.407 -0.079 40 0 DBABRO O=C1N(Cc2cncs2)C[C@@]12CCC[N@@H+](C[C@H](O)CO)C2 ZINC000585099640 374742722 /nfs/dbraw/zinc/74/27/22/374742722.db2.gz UFWAFJMAJZRJTQ-FZMZJTMJSA-N 1 0 311.407 -0.079 40 0 DBABRO O=C(C[C@H]1C[N@@H+](CC2(O)CCOCC2)C[C@@H]1O)N1CCCC1 ZINC000585277666 374872631 /nfs/dbraw/zinc/87/26/31/374872631.db2.gz OHVCGRATTTYPGO-KBPBESRZSA-N 1 0 312.410 -0.167 40 0 DBABRO CC(=O)N1CCC(O)(C[N@@H+](C)[C@@]2(C)CCS(=O)(=O)C2)CC1 ZINC000585285349 374877015 /nfs/dbraw/zinc/87/70/15/374877015.db2.gz XRYKGSRKTVQTAI-ZDUSSCGKSA-N 1 0 318.439 -0.131 40 0 DBABRO C[N@H+](CCC(=O)N[C@@H]1COC[C@@H](O)[C@H]1O)Cc1cccnc1 ZINC000585283554 374877402 /nfs/dbraw/zinc/87/74/02/374877402.db2.gz BSWLMQVTXGCSRZ-NFAWXSAZSA-N 1 0 309.366 -0.860 40 0 DBABRO CN(C)C(=O)N1Cc2nnn(C)c2[C@H](COCC[NH+](C)C)C1 ZINC000096060691 374846234 /nfs/dbraw/zinc/84/62/34/374846234.db2.gz HYUYWNPZQDRFTP-NSHDSACASA-N 1 0 310.402 -0.026 40 0 DBABRO COCC(=O)N1CCn2c(CN3CC[NH+](C)CC3)cnc2C1 ZINC000096087571 374847941 /nfs/dbraw/zinc/84/79/41/374847941.db2.gz NQIYXVQDWJUONZ-UHFFFAOYSA-N 1 0 307.398 -0.381 40 0 DBABRO CNC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(S(C)(=O)=O)C2 ZINC000096143717 374848279 /nfs/dbraw/zinc/84/82/79/374848279.db2.gz RQSHXQXJHUAZNK-SMDDNHRTSA-N 1 0 315.439 -0.226 40 0 DBABRO C[NH+](C)CCO[C@H]1CN(C(=O)c2cnccn2)[C@@H]2COC[C@H]12 ZINC000096184990 374850796 /nfs/dbraw/zinc/85/07/96/374850796.db2.gz SBPBUCKEBMXNIX-YUTCNCBUSA-N 1 0 306.366 -0.106 40 0 DBABRO C[N@@H+]1C[C@@H]2COCCN2C2(CN(C(=O)N3CCOCC3)C2)C1 ZINC000604380996 376619917 /nfs/dbraw/zinc/61/99/17/376619917.db2.gz AMMAWQAYBUASBF-CYBMUJFWSA-N 1 0 310.398 -0.861 40 0 biogenic,in-vitro DBABRO [NH3+]C[C@H]1O[C@@H]2C[C@@H](CC(=O)NCc3cccnc3)O[C@@H]2[C@@H]1O ZINC000604381062 376620496 /nfs/dbraw/zinc/62/04/96/376620496.db2.gz CWETYUJZRVDCKQ-PRSHDEELSA-N 1 0 307.350 -0.668 40 0 biogenic,in-vitro DBABRO CNC(=O)c1cnn(CC2CC[NH+]([C@@H]3COC[C@H]3O)CC2)c1 ZINC000257210759 377235983 /nfs/dbraw/zinc/23/59/83/377235983.db2.gz BWAYFNQZFHFFDL-ZIAGYGMSSA-N 1 0 308.382 -0.286 40 0 DBABRO C[C@@]1(O)CN(C(=O)CCCC[NH3+])CC[C@H]1n1ccc(=O)[nH]c1=O ZINC000257230836 377237392 /nfs/dbraw/zinc/23/73/92/377237392.db2.gz GEDAVRHYHSVVOF-IAQYHMDHSA-N 1 0 324.381 -0.398 40 0 DBABRO C[NH+](C)[C@@H]1CN(C(=O)Cn2c(=O)oc3ccccc32)C[C@H]1O ZINC000257230762 377238641 /nfs/dbraw/zinc/23/86/41/377238641.db2.gz GDVBNMXRAJOYDM-VXGBXAGGSA-N 1 0 305.334 -0.272 40 0 DBABRO NC(=O)N[C@@H]1CC[C@H](O)[C@@H]([N@@H+]2CCc3ccccc3C2)[C@@H]1O ZINC000257245520 377241096 /nfs/dbraw/zinc/24/10/96/377241096.db2.gz IPWUIZZAPKLYMY-LXTVHRRPSA-N 1 0 305.378 -0.034 40 0 DBABRO CNC(=O)[C@H]1CN(C(=O)c2ccc3n[nH]nc3c2)CC[N@H+](C)C1 ZINC000257254997 377241415 /nfs/dbraw/zinc/24/14/15/377241415.db2.gz KFRPAWLNQPPRCV-LLVKDONJSA-N 1 0 316.365 -0.292 40 0 DBABRO NC(=O)[C@H]1CN(c2ccncn2)CC[N@@H+](C2CCOCC2)C1 ZINC000257252378 377241793 /nfs/dbraw/zinc/24/17/93/377241793.db2.gz JUPMBGIGDOASPX-GFCCVEGCSA-N 1 0 305.382 -0.121 40 0 DBABRO Cn1cnc(S(=O)(=O)N2CC[C@H](O)[C@@H]([NH+](C)C)CC2)c1 ZINC000257262620 377243581 /nfs/dbraw/zinc/24/35/81/377243581.db2.gz LMCYCXMDCAEOAY-QWRGUYRKSA-N 1 0 302.400 -0.504 40 0 DBABRO COCCN[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]Cc2ccncc2)[C@@H]1O ZINC000096533299 382612809 /nfs/dbraw/zinc/61/28/09/382612809.db2.gz SMLKJWMXUZPEPW-ARILJUKYSA-N 1 0 309.366 -0.740 40 0 biogenic,in-vitro DBABRO CC[NH+](CC)C[C@@H]1OC[C@H](NC(=O)C2CCOCC2)[C@H]1O ZINC000514289433 257216177 /nfs/dbraw/zinc/21/61/77/257216177.db2.gz UEFNUVQEMMQIHV-MELADBBJSA-N 1 0 300.399 -0.001 40 0 biogenic,in-vitro DBABRO CC[NH+](CC)C[C@@H]1OC[C@@H](NC(=O)N2CCOCC2)[C@H]1O ZINC000514289015 257216760 /nfs/dbraw/zinc/21/67/60/257216760.db2.gz MBTCNSZTWYDRKT-FRRDWIJNSA-N 1 0 301.387 -0.502 40 0 biogenic,in-vitro DBABRO CCC(CC)C(=O)N[C@H]1CO[C@@H](CN2CC[NH+](C)CC2)[C@@H]1O ZINC000514289690 257215263 /nfs/dbraw/zinc/21/52/63/257215263.db2.gz YGJXGBMJHOVQDA-SOUVJXGZSA-N 1 0 313.442 -0.086 40 0 biogenic,in-vitro DBABRO Nc1ncnc2c1ncn2[C@H]1CC[C@H](NC(=O)CCC[NH3+])[C@@H]1O ZINC000257271915 392897907 /nfs/dbraw/zinc/89/79/07/392897907.db2.gz NAIJUSYOJLWTOB-AUTRQRHGSA-N 1 0 319.369 -0.672 40 0 DBABRO COCC(=O)N1Cc2nccn2C[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000096067032 292178978 /nfs/dbraw/zinc/17/89/78/292178978.db2.gz OJASVLVAJDRAMK-CQSZACIVSA-N 1 0 321.425 -0.265 40 0 DBABRO CNC(=O)C[C@@H]1C[N@H+](Cc2cnc(NC)nc2)CC[C@H]1OC ZINC000585275314 412312672 /nfs/dbraw/zinc/31/26/72/412312672.db2.gz AJRUGWNSIXPZKM-CHWSQXEVSA-N 1 0 307.398 0.491 40 0 DBABRO CC(=O)N1CCN(Cc2cnn(C)c2)C[C@]2(CC(=O)N(C)C2)C1 ZINC000097952733 332203308 /nfs/dbraw/zinc/20/33/08/332203308.db2.gz OPMGLFOEMFURBI-MRXNPFEDSA-N 1 0 319.409 -0.067 40 0 DBABRO CC(C)Cn1nc2n(c(=O)c1=O)CC1(CC[NH+](C)CC1)N2C ZINC000306127485 528744066 /nfs/dbraw/zinc/74/40/66/528744066.db2.gz FZOPJMYLFDJTEI-UHFFFAOYSA-N 1 0 307.398 -0.025 40 0 DBABRO CN1CCC([NH2+][C@@H]2[C@H]3CO[C@H](O3)[C@H](n3cccn3)[C@H]2O)CC1 ZINC000952844625 809005862 /nfs/dbraw/zinc/00/58/62/809005862.db2.gz CEHDOSBEDBSUOX-ARILJUKYSA-N 1 0 308.382 -0.407 40 0 biogenic,in-vitro DBABRO O[C@@H]1[C@@H](n2cncn2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1cccnc1 ZINC001534640209 1015258740 /nfs/dbraw/zinc/25/87/40/1015258740.db2.gz TWIPCDRSVMMVQD-XGFWRYKXSA-N 1 0 303.322 -0.511 40 0 DBABRO C[NH+]1CCC(NC(=O)[C@H]2CN(c3cncnc3)CCO2)CC1 ZINC000072366512 191135323 /nfs/dbraw/zinc/13/53/23/191135323.db2.gz IPCNZGVMOFHBKE-CQSZACIVSA-N 1 0 305.382 -0.108 40 0 DBABRO COCC(=O)NC[C@H]1OC[C@@H]([NH2+]Cc2ccc(OC)cc2)[C@@H]1O ZINC000077264131 191682978 /nfs/dbraw/zinc/68/29/78/191682978.db2.gz FETQARXMLXMLRQ-FMKPAKJESA-N 1 0 324.377 -0.324 40 0 biogenic,in-vitro DBABRO CC(C)[C@@](O)(C(=O)OC[C@@H]1CC[N@@H+]2CC[C@@H](O)[C@H]12)[C@@H](C)O ZINC000005733618 181278726 /nfs/dbraw/zinc/27/87/26/181278726.db2.gz NMPPLGMVCCNRTJ-JYKNGBAOSA-N 1 0 301.383 -0.247 40 0 DBABRO Cc1c(CCC(=O)N2CC[N@H+](C)C[C@H](C(N)=O)C2)cnn1C ZINC000257273870 203001695 /nfs/dbraw/zinc/00/16/95/203001695.db2.gz NIOAZYLSEWKGQN-ZDUSSCGKSA-N 1 0 307.398 -0.463 40 0 DBABRO C[N@@H+]1CCN(C(=O)Cn2cnc3ccccc32)C[C@@H](C(N)=O)C1 ZINC000257275183 203003866 /nfs/dbraw/zinc/00/38/66/203003866.db2.gz NOGOFBAOOPAQSY-LBPRGKRZSA-N 1 0 315.377 -0.088 40 0 DBABRO CS(=O)(=O)c1c[nH]nc1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000257292959 203017744 /nfs/dbraw/zinc/01/77/44/203017744.db2.gz QNOYYKSMFIUIQE-VIFPVBQESA-N 1 0 300.384 -0.447 40 0 DBABRO COCC(=O)NC[C@]1(O)C[N@H+](CC2CCCCC2)C[C@H]1O ZINC000257320847 203045859 /nfs/dbraw/zinc/04/58/59/203045859.db2.gz VYVFSIHSFVQVLQ-HIFRSBDPSA-N 1 0 300.399 -0.263 40 0 DBABRO CNC(=O)[C@@H]1CN(C(=O)c2cnn3cccnc23)CC[N@H+](C)C1 ZINC000257322433 203047144 /nfs/dbraw/zinc/04/71/44/203047144.db2.gz WFYOBCCEOIGKGS-NSHDSACASA-N 1 0 316.365 -0.521 40 0 DBABRO CS(=O)(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C(N)=O)C1 ZINC000257336466 203058836 /nfs/dbraw/zinc/05/88/36/203058836.db2.gz YONXKRCQQHCSIX-ZDUSSCGKSA-N 1 0 311.407 -0.135 40 0 DBABRO CC(=O)N[C@@]12C[N@H+](C)C[C@@H]1CCN(Cc1c[nH]c(=O)[nH]c1=O)C2 ZINC000257337899 203060772 /nfs/dbraw/zinc/06/07/72/203060772.db2.gz YUYGALFZERJSRV-SWLSCSKDSA-N 1 0 321.381 -0.470 40 0 DBABRO COCC(=O)N1CC2(C[C@@]1(C)CO)CC[NH+](CC(N)=O)CC2 ZINC000257341900 203065132 /nfs/dbraw/zinc/06/51/32/203065132.db2.gz ZMJKWKJIGFRFDV-AWEZNQCLSA-N 1 0 313.398 -0.816 40 0 DBABRO CC(=O)NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[N@H+](C)CCc1ccccn1 ZINC000020465845 182220914 /nfs/dbraw/zinc/22/09/14/182220914.db2.gz XTXFJQQEAGFVGV-FXUDXRNXSA-N 1 0 323.393 -0.819 40 0 biogenic,in-vitro DBABRO CN(CCc1ccccn1)[C@H]1[C@@H](C[NH+](C)C)O[C@@H](CO)[C@H]1O ZINC000020465928 182221088 /nfs/dbraw/zinc/22/10/88/182221088.db2.gz CTEHWCINJVSWPQ-FXUDXRNXSA-N 1 0 309.410 -0.393 40 0 biogenic,in-vitro DBABRO COCC[N@@H+]1CCC[C@@]2(CN(CCS(C)(=O)=O)C2=O)C1 ZINC000585099478 374740676 /nfs/dbraw/zinc/74/06/76/374740676.db2.gz MDYKRGWZYVSVFA-ZDUSSCGKSA-N 1 0 304.412 -0.398 40 0 DBABRO Cn1cc(N2C[C@@]3(CCC[N@H+](C[C@H](O)CO)C3)C2=O)ccc1=O ZINC000585099676 374743759 /nfs/dbraw/zinc/74/37/59/374743759.db2.gz WUBURASJTIKINM-BBRMVZONSA-N 1 0 321.377 -0.833 40 0 DBABRO Cn1cc(C[N@@H+]2[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2Cc2ccccc2)cn1 ZINC000585294463 374884119 /nfs/dbraw/zinc/88/41/19/374884119.db2.gz GACLEWJCIPWLJF-VVLHAWIVSA-N 1 0 317.389 -0.070 40 0 DBABRO Cc1cnc(N2C[C@H]3OCC(=O)N(CC[NH+](C)C)[C@@H]3C2)nc1 ZINC000096081569 374845322 /nfs/dbraw/zinc/84/53/22/374845322.db2.gz MFCHXGMLDKQKSW-CHWSQXEVSA-N 1 0 305.382 -0.237 40 0 DBABRO Cn1cc(N2CC[C@@]3(CCN(C(=O)C[NH+](C)C)C3)C2=O)cn1 ZINC000096159581 374848296 /nfs/dbraw/zinc/84/82/96/374848296.db2.gz TXSRLVJNCYVTEG-OAHLLOKOSA-N 1 0 305.382 -0.063 40 0 DBABRO OCC[N@@H+]1CCOC[C@]2(C[C@H](CNc3ncccn3)CO2)C1 ZINC000096240682 374854397 /nfs/dbraw/zinc/85/43/97/374854397.db2.gz WXAKWHPKQKKQDG-HIFRSBDPSA-N 1 0 308.382 -0.012 40 0 DBABRO OCCOc1ccc(C[N@@H+]2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1 ZINC000257295096 375200890 /nfs/dbraw/zinc/20/08/90/375200890.db2.gz QWYYPSPGVOGQEV-IRXDYDNUSA-N 1 0 322.405 -0.065 40 0 DBABRO CN(C)S(=O)(=O)N1CCC(C(=O)NCCC[NH+](C)C)CC1 ZINC000010434120 375469878 /nfs/dbraw/zinc/46/98/78/375469878.db2.gz YANGHVHVCFDHJF-UHFFFAOYSA-N 1 0 320.459 -0.427 40 0 DBABRO CC(=O)NCCNC(=O)[C@H]1CN(c2ccc(F)cc2)CC[NH2+]1 ZINC000257240700 377239278 /nfs/dbraw/zinc/23/92/78/377239278.db2.gz HUSWATQOZJBYOO-CQSZACIVSA-N 1 0 308.357 -0.144 40 0 DBABRO NC(=O)CCC(=O)N1CCC[C@](O)(C[NH+]2CCOCC2)CC1 ZINC000257252824 377240946 /nfs/dbraw/zinc/24/09/46/377240946.db2.gz JWFMSHFWTKQNRF-OAHLLOKOSA-N 1 0 313.398 -0.672 40 0 DBABRO Cc1nn(C)cc1S(=O)(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC000257253580 377241446 /nfs/dbraw/zinc/24/14/46/377241446.db2.gz JZLWRDGMQIUURV-LBPRGKRZSA-N 1 0 302.400 -0.584 40 0 DBABRO CC(=O)NCC(=O)N[C@@H]1CCCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257270947 377242897 /nfs/dbraw/zinc/24/28/97/377242897.db2.gz MWGXKWCNTHXKQL-UMVBOHGHSA-N 1 0 313.398 -0.757 40 0 DBABRO [NH3+][C@@H]1[C@H]2CO[C@H](O2)[C@H](N2CCN(c3ccccc3)CC2)[C@H]1O ZINC000012484196 377532211 /nfs/dbraw/zinc/53/22/11/377532211.db2.gz GHZRPZABSIWZTC-DGXTUMSLSA-N 1 0 305.378 -0.380 40 0 biogenic,in-vitro DBABRO COCC(=O)N1CCCn2nnc(COCC[NH+](C)C)c2C1 ZINC000096084348 284780701 /nfs/dbraw/zinc/78/07/01/284780701.db2.gz ZEABWMHVCDBLOL-UHFFFAOYSA-N 1 0 311.386 -0.265 40 0 DBABRO CN1[C@@H]2CC[NH2+][C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccco1 ZINC000035442357 379681265 /nfs/dbraw/zinc/68/12/65/379681265.db2.gz SYFIXHYEHHLRGF-LNSITVRQSA-N 1 0 320.393 -0.163 40 0 biogenic,in-vitro DBABRO [NH3+]C[C@H]1O[C@@H]2C[C@@H](CC(=O)N3CCC(F)(F)C3)O[C@@H]2[C@@H]1O ZINC000225518101 382571959 /nfs/dbraw/zinc/57/19/59/382571959.db2.gz OOCIYQPSRQMAJM-AGACJPFCSA-N 1 0 306.309 -0.511 40 0 biogenic,in-vitro DBABRO CC(C)[NH+]1CCN(CC(=O)N2C[C@H](O)[C@]3(CCCO3)C2)CC1 ZINC000257272119 256621014 /nfs/dbraw/zinc/62/10/14/256621014.db2.gz NBDFNYKFEFBTCI-HOCLYGCPSA-N 1 0 311.426 -0.235 40 0 DBABRO CC(C)C(=O)N1CC2(C1)C[N@H+](CCCO)C[C@H]1C[C@@H](O)CN12 ZINC000514289854 257215059 /nfs/dbraw/zinc/21/50/59/257215059.db2.gz PHAWDXBQBVKNTI-ZIAGYGMSSA-N 1 0 311.426 -0.643 40 0 biogenic,in-vitro DBABRO CC(=O)NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[N@H+](C)Cc1ccccc1 ZINC000030879625 257215581 /nfs/dbraw/zinc/21/55/81/257215581.db2.gz NEAFMTJHOUPDKR-FXUDXRNXSA-N 1 0 308.378 -0.256 40 0 biogenic,in-vitro DBABRO CS(=O)(=O)N1CC[N@H+](CC2CCOCC2)C[C@H](C(N)=O)C1 ZINC000257202030 392894757 /nfs/dbraw/zinc/89/47/57/392894757.db2.gz AKEALDAZOIAKFE-LBPRGKRZSA-N 1 0 319.427 -0.908 40 0 DBABRO CNC(=O)[C@H]1CN(c2nc(OC)nc(OC)n2)CC[N@H+](C)C1 ZINC000257261057 392894933 /nfs/dbraw/zinc/89/49/33/392894933.db2.gz LFNRXXKKWRRULA-SECBINFHSA-N 1 0 310.358 -0.997 40 0 DBABRO CNC(=O)[C@H]1CN(S(C)(=O)=O)CC[N@@H+](C2CCOCC2)C1 ZINC000257326134 392896830 /nfs/dbraw/zinc/89/68/30/392896830.db2.gz WVYXUZKDZMFCOK-LLVKDONJSA-N 1 0 319.427 -0.895 40 0 DBABRO Cn1cc(N2CC[C@]3(CCN(C(=O)C[NH+](C)C)C3)C2=O)cn1 ZINC000096159580 276776785 /nfs/dbraw/zinc/77/67/85/276776785.db2.gz TXSRLVJNCYVTEG-HNNXBMFYSA-N 1 0 305.382 -0.063 40 0 DBABRO C[NH+](C)CC(=O)N1CCC[C@@]2(CCCN2S(C)(=O)=O)C1 ZINC000096215168 289073723 /nfs/dbraw/zinc/07/37/23/289073723.db2.gz XTJZOGBOSXFDII-CYBMUJFWSA-N 1 0 303.428 -0.035 40 0 DBABRO C[NH+](C)CCCNC(=O)[C@]1(C)CN(S(C)(=O)=O)CCO1 ZINC000257300992 289117471 /nfs/dbraw/zinc/11/74/71/289117471.db2.gz RWLXDDWBTPLQRH-LBPRGKRZSA-N 1 0 307.416 -0.895 40 0 DBABRO COc1cc(CNCC[NH2+]C[C@@H](C)O)ccc1OCC(N)=O ZINC000022075337 533874715 /nfs/dbraw/zinc/87/47/15/533874715.db2.gz HVECMGCXQCZMTO-LLVKDONJSA-N 1 0 311.382 -0.381 40 0 DBABRO COCCNC(=O)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CO)nn1 ZINC000008298030 803744287 /nfs/dbraw/zinc/74/42/87/803744287.db2.gz TUPSZVMDCIITJG-BNOWGMLFSA-N 1 0 323.397 -0.757 40 0 biogenic,in-vitro DBABRO CN(C)S(=O)(=O)N1Cc2cncn2[C@@H](CC[NH+](C)C)C1 ZINC000306126783 231086266 /nfs/dbraw/zinc/08/62/66/231086266.db2.gz FFEXCTHCVYEESX-NSHDSACASA-N 1 0 301.416 -0.002 40 0 DBABRO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CC[NH2+]CC3)C1=O ZINC000306133423 529802595 /nfs/dbraw/zinc/80/25/95/529802595.db2.gz MKSXJYPKOFYAAZ-CYBMUJFWSA-N 1 0 301.412 -0.520 40 0 DBABRO COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](C[NH2+]C(C)C)[C@@H](O)[C@H]2O1 ZINC000225515582 201724120 /nfs/dbraw/zinc/72/41/20/201724120.db2.gz XCRWJUTWCPRWQG-PRSHDEELSA-N 1 0 316.398 -0.577 40 0 biogenic,in-vitro DBABRO CCCOCCCCCC[N@@H+]1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO ZINC000003825455 181047361 /nfs/dbraw/zinc/04/73/61/181047361.db2.gz OLYHECNPMKMYII-LXTVHRRPSA-N 1 0 305.415 -0.267 40 0 DBABRO COC(=O)[C@@H]1C([O-])=NC(N2CC[NH+](C)CC2)=[NH+][C@@H]1c1ccco1 ZINC000019818124 291301838 /nfs/dbraw/zinc/30/18/38/291301838.db2.gz IBVCFWSBQAFPDR-NWDGAFQWSA-N 1 0 320.349 -0.157 40 0 DBABRO CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCCC[NH+](C)C)C1 ZINC000216263336 201488505 /nfs/dbraw/zinc/48/85/05/201488505.db2.gz XKYLNAZOCUHEGW-GFCCVEGCSA-N 1 0 320.459 -0.427 40 0 DBABRO NC(=O)[C@H]1CN(Cc2cnccn2)CC[N@@H+](C2CCOCC2)C1 ZINC000257277626 203005622 /nfs/dbraw/zinc/00/56/22/203005622.db2.gz NYTLLMVUBOZTIZ-ZDUSSCGKSA-N 1 0 319.409 -0.125 40 0 DBABRO CS(=O)(=O)c1c[nH]nc1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000257292958 203017267 /nfs/dbraw/zinc/01/72/67/203017267.db2.gz QNOYYKSMFIUIQE-SECBINFHSA-N 1 0 300.384 -0.447 40 0 DBABRO CC[NH+](CC)CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1C ZINC000001649290 374241971 /nfs/dbraw/zinc/24/19/71/374241971.db2.gz CJFBPYHVVXKJQQ-UHFFFAOYSA-N 1 0 309.370 -0.309 40 0 DBABRO NC(=[NH2+])NCCC[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O ZINC000001583500 374242046 /nfs/dbraw/zinc/24/20/46/374242046.db2.gz VFPZSTOWKCRDSF-NEPJUHHUSA-N 1 0 319.365 -0.819 40 0 DBABRO COC(=O)[C@H]1CN(C(=O)C[NH3+])CCN1C(=O)OC(C)(C)C ZINC000079418538 374502469 /nfs/dbraw/zinc/50/24/69/374502469.db2.gz RDIBFQDEIYIAGR-SECBINFHSA-N 1 0 301.343 -0.434 40 0 DBABRO COC(=O)C[C@@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)OC ZINC000071873482 374692038 /nfs/dbraw/zinc/69/20/38/374692038.db2.gz CCKAUXJBOBDHLB-NEPJUHHUSA-N 1 0 308.334 -0.223 40 0 DBABRO Cc1oncc1C(=O)N1C[C@H]2OCC(=O)N(CC[NH+](C)C)[C@@H]2C1 ZINC000096081570 374846201 /nfs/dbraw/zinc/84/62/01/374846201.db2.gz LILSQIASALHKDB-CHWSQXEVSA-N 1 0 322.365 -0.404 40 0 DBABRO OCC[N@@H+]1CCOC[C@@]2(C[C@@H](CNc3cnccn3)CO2)C1 ZINC000096240687 374853887 /nfs/dbraw/zinc/85/38/87/374853887.db2.gz HKCYGCFXIYSWGD-DZGCQCFKSA-N 1 0 308.382 -0.012 40 0 DBABRO C[NH+](C)CCCNS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000226859693 375502412 /nfs/dbraw/zinc/50/24/12/375502412.db2.gz VTNLSJTXXICKHB-UHFFFAOYSA-N 1 0 311.363 -0.200 40 0 DBABRO CNC(=O)c1cnn(CC2CC[NH+]([C@H]3COC[C@H]3O)CC2)c1 ZINC000257210758 377235064 /nfs/dbraw/zinc/23/50/64/377235064.db2.gz BWAYFNQZFHFFDL-UONOGXRCSA-N 1 0 308.382 -0.286 40 0 DBABRO CNC(=O)c1cnn(CC2CC[NH+]([C@@H]3COC[C@@H]3O)CC2)c1 ZINC000257210757 377235239 /nfs/dbraw/zinc/23/52/39/377235239.db2.gz BWAYFNQZFHFFDL-KGLIPLIRSA-N 1 0 308.382 -0.286 40 0 DBABRO Cc1nn(C)cc1S(=O)(=O)N1CC[C@H](O)[C@@H]([NH+](C)C)CC1 ZINC000257225050 377238378 /nfs/dbraw/zinc/23/83/78/377238378.db2.gz FEPAMLDXNBXDTK-RYUDHWBXSA-N 1 0 316.427 -0.196 40 0 DBABRO CN1C(=O)C2(C[C@H]1Cc1cnccn1)CCN(C(=O)C[NH3+])CC2 ZINC000257252752 377239783 /nfs/dbraw/zinc/23/97/83/377239783.db2.gz JWAQEHJDXDLEPQ-CYBMUJFWSA-N 1 0 317.393 -0.183 40 0 DBABRO CCS(=O)(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H](C(N)=O)C1 ZINC000257258707 377241380 /nfs/dbraw/zinc/24/13/80/377241380.db2.gz KVEOCCUNDWEIHG-LLVKDONJSA-N 1 0 319.427 -0.766 40 0 DBABRO Cn1cncc1C(=O)N[C@@H]1CC[C@H](O)[C@@H]([NH+]2CCCCC2)[C@@H]1O ZINC000257258132 377241927 /nfs/dbraw/zinc/24/19/27/377241927.db2.gz KSMIDRWECNYSGW-FAAHXZRKSA-N 1 0 322.409 -0.111 40 0 DBABRO NS(=O)(=O)c1ccc(CC[NH2+][C@H]2CCS(=O)(=O)C2)cc1 ZINC000040177494 183043893 /nfs/dbraw/zinc/04/38/93/183043893.db2.gz WEELAFSLHDKULH-NSHDSACASA-N 1 0 318.420 -0.347 40 0 DBABRO O=S(=O)(NCC[NH2+][C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000575424647 378634153 /nfs/dbraw/zinc/63/41/53/378634153.db2.gz VAPQGSWPDFMRBV-LLVKDONJSA-N 1 0 318.420 -0.258 40 0 DBABRO O=C1[C@@H]2C[C@@H](O)CN2C2(C[NH2+]C2)C(=O)N1Cc1ccccc1F ZINC000225391408 382505344 /nfs/dbraw/zinc/50/53/44/382505344.db2.gz FMQRSDFFJCJRDA-YPMHNXCESA-N 1 0 319.336 -0.528 40 0 biogenic,in-vitro DBABRO O=S1(=O)Cc2cnc(N3CCOCC3)nc2[C@H]2C[NH2+]C[C@H]21 ZINC000306131922 285074071 /nfs/dbraw/zinc/07/40/71/285074071.db2.gz KTHGONYZBOWMLJ-WDEREUQCSA-N 1 0 310.379 -0.703 40 0 DBABRO COCCNC(=O)N[C@H]1CO[C@@H](C[NH+]2CCC(C)CC2)[C@@H]1O ZINC000514289079 257215949 /nfs/dbraw/zinc/21/59/49/257215949.db2.gz NHCNNBRCPFSATG-MELADBBJSA-N 1 0 315.414 -0.208 40 0 biogenic,in-vitro DBABRO CC(=O)N1C[C@@H]2C[C@@H](O)CN2C2(C[NH+](C3CCOCC3)C2)C1 ZINC000514288488 257216384 /nfs/dbraw/zinc/21/63/84/257216384.db2.gz BIZXDJFVHQJNFR-LSDHHAIUSA-N 1 0 309.410 -0.483 40 0 biogenic,in-vitro DBABRO CC(=O)NCC(=O)N1CCN(CC[NH+](C)C)c2ncccc2C1 ZINC000096198839 392490883 /nfs/dbraw/zinc/49/08/83/392490883.db2.gz GAXSVQUEXBZXHX-UHFFFAOYSA-N 1 0 319.409 -0.072 40 0 DBABRO CS(=O)(=O)N1CC[N@H+](CC2CCOCC2)C[C@@H](C(N)=O)C1 ZINC000257202029 392895179 /nfs/dbraw/zinc/89/51/79/392895179.db2.gz AKEALDAZOIAKFE-GFCCVEGCSA-N 1 0 319.427 -0.908 40 0 DBABRO Cn1nc2n(c(=O)c1=O)C[C@]1(CC[N@H+](Cc3ccco3)C1)OC2 ZINC000306132282 392992404 /nfs/dbraw/zinc/99/24/04/392992404.db2.gz LDQXCPJMIBJKOD-OAHLLOKOSA-N 1 0 318.333 -0.290 40 0 DBABRO CN(C(=O)CC[NH3+])[C@@H]1CC[C@H](n2cnc3c2ncnc3N)[C@H]1O ZINC000257278632 288798420 /nfs/dbraw/zinc/79/84/20/288798420.db2.gz OCZMTWQVAOPNDK-PTRXPTGYSA-N 1 0 319.369 -0.720 40 0 DBABRO CN(C)C(=O)[C@H]1CN(S(C)(=O)=O)CC[N@H+](CC2CC2)C1 ZINC000257295297 289007636 /nfs/dbraw/zinc/00/76/36/289007636.db2.gz QXTGZKTTXWDAGK-GFCCVEGCSA-N 1 0 303.428 -0.322 40 0 DBABRO Nc1nc2c(c(N)n1)CC1(CCN(C(=O)C3C[NH2+]C3)CC1)O2 ZINC000257321846 295369149 /nfs/dbraw/zinc/36/91/49/295369149.db2.gz WDMYDPXSUKIQGD-UHFFFAOYSA-N 1 0 304.354 -0.844 40 0 DBABRO Cc1cnn([C@H]2[C@@H]3OC[C@@H](O3)[C@@H]([NH2+]C3CCN(C)CC3)[C@@H]2O)c1 ZINC000952844990 809006124 /nfs/dbraw/zinc/00/61/24/809006124.db2.gz XPGWILKIFBIPAB-DGXTUMSLSA-N 1 0 322.409 -0.099 40 0 biogenic,in-vitro DBABRO Cc1cnn([C@H]2[C@@H]3OC[C@@H](O3)[C@@H]([NH2+]Cc3cnn(C)c3)[C@@H]2O)c1 ZINC000952844800 809006572 /nfs/dbraw/zinc/00/65/72/809006572.db2.gz JVKCPNMVTQQWSL-ARILJUKYSA-N 1 0 319.365 -0.259 40 0 biogenic,in-vitro DBABRO O=C(Cn1cccnc1=O)N1CC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000257296708 203021176 /nfs/dbraw/zinc/02/11/76/203021176.db2.gz REARABJFVLCUKT-OAHLLOKOSA-N 1 0 306.366 -0.698 40 0 DBABRO NC(=O)[C@@H]1CN(Cc2cnccn2)CC[N@@H+](C2CCOCC2)C1 ZINC000257277625 203007152 /nfs/dbraw/zinc/00/71/52/203007152.db2.gz NYTLLMVUBOZTIZ-CYBMUJFWSA-N 1 0 319.409 -0.125 40 0 DBABRO CN1CC[NH+](C[C@@]2(O)CCN(C(=O)c3ccncc3)C2)CC1 ZINC000257333430 203055680 /nfs/dbraw/zinc/05/56/80/203055680.db2.gz YBMWHYUWURHBQZ-INIZCTEOSA-N 1 0 304.394 -0.094 40 0 DBABRO CC(=O)NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[N@H+](C)CCc1ccccc1 ZINC000020465740 182220714 /nfs/dbraw/zinc/22/07/14/182220714.db2.gz GDMVIMIOMUSDDT-LTIDMASMSA-N 1 0 322.405 -0.214 40 0 biogenic,in-vitro DBABRO CC(C)NC(=O)NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCCCC1 ZINC000020465712 182220923 /nfs/dbraw/zinc/22/09/23/182220923.db2.gz ZGVASNZLOPWVQG-ZOBORPQBSA-N 1 0 315.414 -0.331 40 0 biogenic,in-vitro DBABRO COCC[N@@H+]1CCC[C@]2(CN(CCS(C)(=O)=O)C2=O)C1 ZINC000585099476 374740436 /nfs/dbraw/zinc/74/04/36/374740436.db2.gz MDYKRGWZYVSVFA-CYBMUJFWSA-N 1 0 304.412 -0.398 40 0 DBABRO O=C1N(Cc2cncs2)C[C@@]12CCC[N@@H+](C[C@@H](O)CO)C2 ZINC000585099641 374743376 /nfs/dbraw/zinc/74/33/76/374743376.db2.gz UFWAFJMAJZRJTQ-RISCZKNCSA-N 1 0 311.407 -0.079 40 0 DBABRO CO[C@H]1CN(C(=O)CN(C)Cc2cccnc2)C[C@H]1CC(N)=O ZINC000585278606 374872302 /nfs/dbraw/zinc/87/23/02/374872302.db2.gz PHXGFEUWYIGEPY-KGLIPLIRSA-N 1 0 320.393 -0.138 40 0 DBABRO CNC(=O)CC[C@]1(O)CCCN(CC(=O)N2CCOCC2)C1 ZINC000585278795 374872334 /nfs/dbraw/zinc/87/23/34/374872334.db2.gz VJFXENOQPSQDCZ-OAHLLOKOSA-N 1 0 313.398 -0.802 40 0 DBABRO C[NH+](C)C/C=C/C(=O)N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O ZINC000585290376 374879328 /nfs/dbraw/zinc/87/93/28/374879328.db2.gz VLKMDEXBBDTJOV-CUBFUVFKSA-N 1 0 311.426 -0.165 40 0 DBABRO O=C(Cc1ccccc1)N1CC[C@@H](O)[C@](O)(C[NH2+]CCO)C1 ZINC000585286462 374880294 /nfs/dbraw/zinc/88/02/94/374880294.db2.gz QTUHUTHCGDCFNC-ZBFHGGJFSA-N 1 0 308.378 -0.865 40 0 DBABRO CC(=O)N1CCNC(=O)C12CC[NH+](Cc1cnn(C)c1)CC2 ZINC000096230423 374853567 /nfs/dbraw/zinc/85/35/67/374853567.db2.gz SKWBLOKNYZDPPR-UHFFFAOYSA-N 1 0 305.382 -0.267 40 0 DBABRO CNC(=O)[C@@]1(C)C[N@H+](CC2(O)CCN(C(C)=O)CC2)CCO1 ZINC000585263391 374859085 /nfs/dbraw/zinc/85/90/85/374859085.db2.gz YEXVFSBEPOUYOX-CQSZACIVSA-N 1 0 313.398 -0.803 40 0 DBABRO COCCNC(=O)[C@H]1CN(C(=O)CC[NH+](C)C)Cc2ccnn21 ZINC000575404657 375234164 /nfs/dbraw/zinc/23/41/64/375234164.db2.gz CZPYMGJYKJXFLX-CYBMUJFWSA-N 1 0 323.397 -0.519 40 0 DBABRO CNC(=O)c1cnn(CC2CC[NH+]([C@H]3COC[C@@H]3O)CC2)c1 ZINC000257210756 377235372 /nfs/dbraw/zinc/23/53/72/377235372.db2.gz BWAYFNQZFHFFDL-KBPBESRZSA-N 1 0 308.382 -0.286 40 0 DBABRO CNC(=O)[C@H]1CN(C(=O)CCn2ccc(C)n2)CC[N@H+](C)C1 ZINC000257206156 377235905 /nfs/dbraw/zinc/23/59/05/377235905.db2.gz BCCCAKJNSWMSEH-CYBMUJFWSA-N 1 0 307.398 -0.282 40 0 DBABRO COCC(=O)N1CC[C@@](O)(C[NH+]2CCC(NC(C)=O)CC2)C1 ZINC000257220330 377236182 /nfs/dbraw/zinc/23/61/82/377236182.db2.gz DKKHCIKBEYMTGX-OAHLLOKOSA-N 1 0 313.398 -0.803 40 0 DBABRO CCc1noc(CCC(=O)N2CC[N@H+](C)C[C@@H](C(N)=O)C2)n1 ZINC000257232012 377237618 /nfs/dbraw/zinc/23/76/18/377237618.db2.gz GIZJGKSUKPNPAJ-SNVBAGLBSA-N 1 0 309.370 -0.560 40 0 DBABRO NC(=O)[C@@H]1CN(C(=O)c2cnco2)CC[N@@H+](C2CCOCC2)C1 ZINC000257256776 377240065 /nfs/dbraw/zinc/24/00/65/377240065.db2.gz KMVRYZFFBXGCMV-NSHDSACASA-N 1 0 322.365 -0.287 40 0 DBABRO NC(=O)[C@@H]1CN(C(=O)c2ccno2)CC[N@@H+](C2CCOCC2)C1 ZINC000257244169 377241475 /nfs/dbraw/zinc/24/14/75/377241475.db2.gz IKEOJPRHUUSXGQ-NSHDSACASA-N 1 0 322.365 -0.287 40 0 DBABRO C[N@H+](CCO)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)C[C@H]1NC(N)=O ZINC000257267551 377243457 /nfs/dbraw/zinc/24/34/57/377243457.db2.gz MHTPIKLOJDAHPS-MQYQWHSLSA-N 1 0 309.366 -0.472 40 0 DBABRO C[N@@H+]1CCN(C(=O)CN2CCCCCC2=O)C[C@H](C(N)=O)C1 ZINC000257280792 377244098 /nfs/dbraw/zinc/24/40/98/377244098.db2.gz OMLPNHJJAWIXRG-GFCCVEGCSA-N 1 0 310.398 -0.736 40 0 DBABRO CCCCn1c(N2CC[NH2+]CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000062720572 184250656 /nfs/dbraw/zinc/25/06/56/184250656.db2.gz VWBBEIWMFMVQSC-UHFFFAOYSA-N 1 0 320.397 -0.357 40 0 DBABRO O=S(=O)(c1cnccc1N1CC[NH2+]CC1)N1CCOCC1 ZINC000072210653 257128031 /nfs/dbraw/zinc/12/80/31/257128031.db2.gz CHBLQWUGVMAIIS-UHFFFAOYSA-N 1 0 312.395 -0.488 40 0 DBABRO CCCC[N@H+](C)C[C@@H]1OC[C@H](NC(=O)NCCOC)[C@H]1O ZINC000514289743 257216200 /nfs/dbraw/zinc/21/62/00/257216200.db2.gz ZUYPEVRPHUORBF-RWMBFGLXSA-N 1 0 303.403 -0.208 40 0 biogenic,in-vitro DBABRO CC(=O)N1C[C@H]2C[C@@H](O)CN2C2(C[NH+](C3CCOCC3)C2)C1 ZINC000514288486 257216618 /nfs/dbraw/zinc/21/66/18/257216618.db2.gz BIZXDJFVHQJNFR-HUUCEWRRSA-N 1 0 309.410 -0.483 40 0 biogenic,in-vitro DBABRO CC(C)C[NH+]1CC2(C1)CN(C(=O)CCO)C[C@H]1C[C@@H](O)CN12 ZINC000514289937 257215470 /nfs/dbraw/zinc/21/54/70/257215470.db2.gz QKOWHMDGHRDYPE-ZIAGYGMSSA-N 1 0 311.426 -0.643 40 0 biogenic,in-vitro DBABRO Cc1n[nH]c(C)c1CCC(=O)N1CC[N@@H+](C)C[C@@H](C(N)=O)C1 ZINC000257227022 392894865 /nfs/dbraw/zinc/89/48/65/392894865.db2.gz FNHLFHVXMGGYTG-GFCCVEGCSA-N 1 0 307.398 -0.165 40 0 DBABRO CNC(=O)[C@H]1CN(C(C)=O)CC[N@@H+](C2CCN(C(C)=O)CC2)C1 ZINC000257225557 392895425 /nfs/dbraw/zinc/89/54/25/392895425.db2.gz FGSREVOTDAFGQN-AWEZNQCLSA-N 1 0 324.425 -0.476 40 0 DBABRO CN1CC[NH+](C[C@]2(O)CCN(C(=O)c3ccncc3)C2)CC1 ZINC000257333431 392896877 /nfs/dbraw/zinc/89/68/77/392896877.db2.gz YBMWHYUWURHBQZ-MRXNPFEDSA-N 1 0 304.394 -0.094 40 0 DBABRO CC(=O)NCC(=O)N1CC[C@](O)(C[NH+]2CCC(F)(F)CC2)C1 ZINC000257335971 275780231 /nfs/dbraw/zinc/78/02/31/275780231.db2.gz YMPYKACVDGIMPA-ZDUSSCGKSA-N 1 0 319.352 -0.183 40 0 DBABRO O[C@@H]1[C@@H](n2cncn2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1ccccn1 ZINC001534640202 1015258364 /nfs/dbraw/zinc/25/83/64/1015258364.db2.gz SLLOOCRCBPNJRZ-XGFWRYKXSA-N 1 0 303.322 -0.511 40 0 DBABRO CS(=O)(=O)NC[C@H]1OC[C@@H]([NH2+]Cc2cccs2)[C@@H]1O ZINC000077264583 191683283 /nfs/dbraw/zinc/68/32/83/191683283.db2.gz ZFEUTEKUMJFGGC-MXWKQRLJSA-N 1 0 306.409 -0.485 40 0 biogenic,in-vitro DBABRO NC(=[NH2+])NCCC[C@@H](NS(=O)(=O)c1ccccc1)C(N)=O ZINC000005604159 181262827 /nfs/dbraw/zinc/26/28/27/181262827.db2.gz RDMCUKXYLHILOK-SNVBAGLBSA-N 1 0 313.383 -0.918 40 0 DBABRO CC(C)(CO)[NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000005905047 181294813 /nfs/dbraw/zinc/29/48/13/181294813.db2.gz FYHREUAIFDEFQU-UHFFFAOYSA-N 1 0 301.368 -0.367 40 0 DBABRO O=c1[nH]cc(C[N@H+]2CC[C@](O)(CN3CCOCC3)C2)c(=O)[nH]1 ZINC000257277910 203006002 /nfs/dbraw/zinc/00/60/02/203006002.db2.gz OAAGLXHMKGBPKI-AWEZNQCLSA-N 1 0 310.354 -0.843 40 0 DBABRO CNC(=O)[C@H]1CN(C(=O)CCn2nccc2C)CC[N@H+](C)C1 ZINC000257286807 203013279 /nfs/dbraw/zinc/01/32/79/203013279.db2.gz PNDIXRWUNRBOSF-CYBMUJFWSA-N 1 0 307.398 -0.282 40 0 DBABRO CN(C)C(=O)[C@H]1CN(Cc2cnc(N(C)C)nc2)CC[N@H+](C)C1 ZINC000257286419 203013396 /nfs/dbraw/zinc/01/33/96/203013396.db2.gz PLNLYDFOFFIXAW-CQSZACIVSA-N 1 0 320.441 -0.006 40 0 DBABRO CN(CC(=O)N1CC[N@H+](C)C[C@@H](C(N)=O)C1)Cc1cccnc1 ZINC000257287455 203014386 /nfs/dbraw/zinc/01/43/86/203014386.db2.gz PQAXYHYGHUGLHK-CQSZACIVSA-N 1 0 319.409 -0.611 40 0 DBABRO CNc1cc(N2CCC[C@@](O)(CNC(=O)C[NH2+]C)C2)ncn1 ZINC000257289769 203016344 /nfs/dbraw/zinc/01/63/44/203016344.db2.gz QACHGUATTDTXSP-CQSZACIVSA-N 1 0 308.386 -0.815 40 0 DBABRO [NH3+]CCCC(=O)N1C[C@@H](O)[C@@H](Cc2cn3ccnc3cn2)C1 ZINC000257294905 203019309 /nfs/dbraw/zinc/01/93/09/203019309.db2.gz QWFCUSBXLQMRJO-WCQYABFASA-N 1 0 303.366 -0.170 40 0 DBABRO Cc1ccc(=O)n(CC(=O)N2C[C@@H](O)[C@H]([NH+]3CCCC3)C2)n1 ZINC000257332959 203054418 /nfs/dbraw/zinc/05/44/18/203054418.db2.gz XZLNTUILTOFFTI-CHWSQXEVSA-N 1 0 306.366 -0.781 40 0 DBABRO C[N@@H+]1CCN(Cc2cccc(OCCO)c2)C[C@H](C(N)=O)C1 ZINC000257321136 203045705 /nfs/dbraw/zinc/04/57/05/203045705.db2.gz WAFGTOGHSMPUAY-CQSZACIVSA-N 1 0 307.394 -0.093 40 0 DBABRO C[N@@H+]1CCN(Cc2cccc(OCCO)c2)C[C@@H](C(N)=O)C1 ZINC000257321135 203046192 /nfs/dbraw/zinc/04/61/92/203046192.db2.gz WAFGTOGHSMPUAY-AWEZNQCLSA-N 1 0 307.394 -0.093 40 0 DBABRO O=C([C@H]1CCS(=O)(=O)C1)N1CC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000257323562 203046966 /nfs/dbraw/zinc/04/69/66/203046966.db2.gz WKXIYEDWYBNQLU-GXTWGEPZSA-N 1 0 316.423 -0.520 40 0 DBABRO CNC(=O)[C@H]1CN(C(=O)c2cnn3cccnc23)CC[N@H+](C)C1 ZINC000257322432 203048188 /nfs/dbraw/zinc/04/81/88/203048188.db2.gz WFYOBCCEOIGKGS-LLVKDONJSA-N 1 0 316.365 -0.521 40 0 DBABRO Cn1c2nc(NCC[NH3+])n(Cc3ccccc3)c2c(=O)[nH]c1=O ZINC000013494767 181856711 /nfs/dbraw/zinc/85/67/11/181856711.db2.gz VUZYACWOHGLAPE-UHFFFAOYSA-N 1 0 314.349 -0.158 40 0 DBABRO O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCCCC1)c1ccco1 ZINC000020465686 182221106 /nfs/dbraw/zinc/22/11/06/182221106.db2.gz DCOIUEIIMCCASW-CBBWQLFWSA-N 1 0 324.377 -0.016 40 0 biogenic,in-vitro DBABRO CC(C)N(C)C(=O)C1=NO[C@]2(C1)CCC[N@H+](C[C@H](O)CO)C2 ZINC000585101100 374742836 /nfs/dbraw/zinc/74/28/36/374742836.db2.gz DIFCDSXQCXXEKN-WFASDCNBSA-N 1 0 313.398 -0.183 40 0 DBABRO CC(C)N(C)C(=O)C1=NO[C@]2(C1)CCC[N@H+](C[C@@H](O)CO)C2 ZINC000585101097 374743631 /nfs/dbraw/zinc/74/36/31/374743631.db2.gz DIFCDSXQCXXEKN-DOMZBBRYSA-N 1 0 313.398 -0.183 40 0 DBABRO CS(=O)(=O)NC[C@H]1CN(C2CCOCC2)Cc2ccnn21 ZINC000585111415 374744102 /nfs/dbraw/zinc/74/41/02/374744102.db2.gz AEVWQKBPRPGUBP-ZDUSSCGKSA-N 1 0 314.411 -0.032 40 0 DBABRO C[NH+](C)C/C=C/C(=O)N1C[C@H](O)[C@@H](CC(=O)N2CCCC2)C1 ZINC000585289751 374879146 /nfs/dbraw/zinc/87/91/46/374879146.db2.gz NFSODJYBZRQIJS-BEVHLOIGSA-N 1 0 309.410 -0.064 40 0 DBABRO O=C(Cc1ccccc1)N1CC[C@](O)(C[NH2+]CCCO)[C@@H](O)C1 ZINC000585290688 374879191 /nfs/dbraw/zinc/87/91/91/374879191.db2.gz TVHLKOZEROESJY-RDJZCZTQSA-N 1 0 322.405 -0.475 40 0 DBABRO O=C(Cc1ccccc1)N1CC[C@@H](O)[C@](O)(C[NH2+]CCCO)C1 ZINC000585286892 374879599 /nfs/dbraw/zinc/87/95/99/374879599.db2.gz WHFCKYSUMKSUQB-WBVHZDCISA-N 1 0 322.405 -0.475 40 0 DBABRO O=C(c1ccccc1)N1CC[C@@H](O)[C@](O)(C[NH2+]CCCO)C1 ZINC000585290354 374879783 /nfs/dbraw/zinc/87/97/83/374879783.db2.gz QMXGTFVRGJUONV-ZBFHGGJFSA-N 1 0 308.378 -0.404 40 0 DBABRO CN(C)C(=O)CN1CC[C@H]2C[N@H+](Cc3cnn(C)c3)C[C@@H]2C1=O ZINC000096054624 374845894 /nfs/dbraw/zinc/84/58/94/374845894.db2.gz YEOPTJCXHUVXTD-KBPBESRZSA-N 1 0 319.409 -0.211 40 0 DBABRO CN(C)C(=O)CO[C@@H]1C[C@H]2CN(Cc3nccn3C)CC[N@@H+]2C1 ZINC000096183261 374849119 /nfs/dbraw/zinc/84/91/19/374849119.db2.gz IAXPPZDIOVNXCM-UONOGXRCSA-N 1 0 321.425 -0.217 40 0 DBABRO COCC(=O)NC[C@]12COC[C@H]1C[N@H+](Cc1cnn(C)c1)C2 ZINC000096209444 374851773 /nfs/dbraw/zinc/85/17/73/374851773.db2.gz IPMOFUSMHOEORP-HIFRSBDPSA-N 1 0 308.382 -0.369 40 0 DBABRO OCC[N@@H+]1CCOC[C@@]2(C[C@H](CNc3ncccn3)CO2)C1 ZINC000096240684 374853715 /nfs/dbraw/zinc/85/37/15/374853715.db2.gz WXAKWHPKQKKQDG-UKRRQHHQSA-N 1 0 308.382 -0.012 40 0 DBABRO CC(=O)N1C[C@@H]2COCCN2C2(CN(C3CC[NH+](C)CC3)C2)C1 ZINC000604381647 376620849 /nfs/dbraw/zinc/62/08/49/376620849.db2.gz JCLIGVAAQVPUFH-MRXNPFEDSA-N 1 0 322.453 -0.302 40 0 biogenic,in-vitro DBABRO O=C(COC[C@@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CCCC1 ZINC000247747085 377136270 /nfs/dbraw/zinc/13/62/70/377136270.db2.gz SCVNBGUZMNAOAU-NSHDSACASA-N 1 0 302.396 -0.598 40 0 DBABRO CNc1cc(N2CCC[C@@](O)(CN(C)C(=O)C[NH3+])C2)ncn1 ZINC000257243320 377237971 /nfs/dbraw/zinc/23/79/71/377237971.db2.gz IGJUVEVYOKRPFE-CQSZACIVSA-N 1 0 308.386 -0.733 40 0 DBABRO CN(C[C@@]1(O)CCN(c2ncccn2)C1)C(=O)C[NH+]1CCCC1 ZINC000257235994 377238681 /nfs/dbraw/zinc/23/86/81/377238681.db2.gz HAKFTMXRJUNSNT-INIZCTEOSA-N 1 0 319.409 -0.028 40 0 DBABRO CN1CCN([C@@H]2CN(C(=O)C[NH+]3CCCCCC3)C[C@H]2O)CC1 ZINC000257227112 377238894 /nfs/dbraw/zinc/23/88/94/377238894.db2.gz FNSOBVGJEQTQDT-HZPDHXFCSA-N 1 0 324.469 -0.319 40 0 DBABRO NC(=O)CCC(=O)N1CCC[C@@](O)(C[NH+]2CCOCC2)CC1 ZINC000257252823 377239951 /nfs/dbraw/zinc/23/99/51/377239951.db2.gz JWFMSHFWTKQNRF-HNNXBMFYSA-N 1 0 313.398 -0.672 40 0 DBABRO NC(=O)[C@H]1CN(C(=O)c2cnco2)CC[N@@H+](C2CCOCC2)C1 ZINC000257256775 377240785 /nfs/dbraw/zinc/24/07/85/377240785.db2.gz KMVRYZFFBXGCMV-LLVKDONJSA-N 1 0 322.365 -0.287 40 0 DBABRO NC(=O)c1ccc2c(ccn2[C@@H]2CN(C(=O)CC[NH3+])C[C@H]2O)c1 ZINC000257268490 377243951 /nfs/dbraw/zinc/24/39/51/377243951.db2.gz MLWWMWWJRVDTSA-ZIAGYGMSSA-N 1 0 316.361 -0.167 40 0 DBABRO O[C@@H]1[C@@H](N2CCOCC2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1ccncc1 ZINC000012484038 377531964 /nfs/dbraw/zinc/53/19/64/377531964.db2.gz RCXMXLJCXLGFHQ-DGXTUMSLSA-N 1 0 321.377 -0.643 40 0 biogenic,in-vitro DBABRO CC(C)NC(=O)NC[C@H]1OC[C@@H]([NH2+]C2CCOCC2)[C@@H]1O ZINC000077264845 379828276 /nfs/dbraw/zinc/82/82/76/379828276.db2.gz FZRWCYQTDJULAT-UPJWGTAASA-N 1 0 301.387 -0.409 40 0 biogenic,in-vitro DBABRO C[NH+](C)C[C@H]1O[C@@H]2C[C@@H](CC(=O)N3CCOCC3)O[C@@H]2[C@@H]1O ZINC000225512214 392150488 /nfs/dbraw/zinc/15/04/88/392150488.db2.gz TWLBYNXHIYLFAU-PRSHDEELSA-N 1 0 314.382 -0.917 40 0 biogenic,in-vitro DBABRO NC(=O)C[C@H]1CC[C@@H](C[NH3+])N1C(=O)CCn1ccccc1=O ZINC000257199628 392895520 /nfs/dbraw/zinc/89/55/20/392895520.db2.gz AAELBARVJIQWMY-NEPJUHHUSA-N 1 0 306.366 -0.568 40 0 DBABRO CN(C)C(=O)[C@@H]1CN(Cc2cnc(N(C)C)nc2)CC[N@H+](C)C1 ZINC000257286418 392897477 /nfs/dbraw/zinc/89/74/77/392897477.db2.gz PLNLYDFOFFIXAW-AWEZNQCLSA-N 1 0 320.441 -0.006 40 0 DBABRO Cn1nc2n(c(=O)c1=O)C[C@@]1(CC[N@H+](Cc3ccco3)C1)OC2 ZINC000306132281 392992027 /nfs/dbraw/zinc/99/20/27/392992027.db2.gz LDQXCPJMIBJKOD-HNNXBMFYSA-N 1 0 318.333 -0.290 40 0 DBABRO CNC(=O)c1c[nH]nc1C1(C)CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000072388868 277019232 /nfs/dbraw/zinc/01/92/32/277019232.db2.gz ABVQPAZALDFUOE-UHFFFAOYSA-N 1 0 305.382 -0.131 40 0 DBABRO CN1CC[NH+](C[C@@]2(O)CCN(C(=O)c3cccc(=O)[nH]3)C2)CC1 ZINC000257237193 277107935 /nfs/dbraw/zinc/10/79/35/277107935.db2.gz HFNOFNMXOFGGRY-INIZCTEOSA-N 1 0 320.393 -0.388 40 0 DBABRO Cc1cnn([C@H]2[C@@H]3OC[C@@H](O3)[C@@H]([NH2+]C3CCOCC3)[C@@H]2O)c1 ZINC000952844930 809006060 /nfs/dbraw/zinc/00/60/60/809006060.db2.gz UVJBGFVECWYTLR-ARILJUKYSA-N 1 0 309.366 -0.014 40 0 biogenic,in-vitro DBABRO CO[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cc(Cn2cc(C)cn2)on1 ZINC001548338120 1015561441 /nfs/dbraw/zinc/56/14/41/1015561441.db2.gz VPBKCUWIZOQEBJ-CHWSQXEVSA-N 1 0 305.338 -0.056 40 0 DBABRO CN1CCC([NH2+][C@@H]2[C@@H](O)CO[C@@H]2Cn2cc(C3CC3)nn2)CC1 ZINC001549161916 1015706866 /nfs/dbraw/zinc/70/68/66/1015706866.db2.gz QGZNXOCDYPYYMA-ARFHVFGLSA-N 1 0 321.425 -0.032 40 0 DBABRO Cn1[nH+]c(N)c2cn([C@@H]3O[C@H](CO)[C@@H](O)C3O)c3ncnc1c23 ZINC001560410126 1024003636 /nfs/dbraw/zinc/00/36/36/1024003636.db2.gz UYXBKKHWVGZIHD-JCAYMWJVSA-N 1 0 319.301 -0.945 40 0 DBABRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)C3CCOCC3)C[C@H]21 ZINC000096054318 282101440 /nfs/dbraw/zinc/10/14/40/282101440.db2.gz BQKKFURSPKGKDG-CABCVRRESA-N 1 0 311.426 -0.114 40 0 DBABRO COCCOC[C@]1(C[NH2+]Cc2cnn(C)c2)C[C@@H](O)[C@@H](O)C1 ZINC000107430841 185480380 /nfs/dbraw/zinc/48/03/80/185480380.db2.gz UMTOIGWHLHNJDL-QDMKHBRRSA-N 1 0 313.398 -0.325 40 0 biogenic,in-vitro DBABRO NC(=[NH2+])NCCC[C@H](NS(=O)(=O)c1ccccc1)C(N)=O ZINC000005604154 181263098 /nfs/dbraw/zinc/26/30/98/181263098.db2.gz RDMCUKXYLHILOK-JTQLQIEISA-N 1 0 313.383 -0.918 40 0 DBABRO NC(=O)[C@@H]1CN(Cc2c[nH]cn2)CC[N@@H+](C2CCOCC2)C1 ZINC000257302391 203028323 /nfs/dbraw/zinc/02/83/23/203028323.db2.gz SCTGCUKOSUBERJ-GFCCVEGCSA-N 1 0 307.398 -0.192 40 0 DBABRO Cc1nc(C2CC[NH+]([C@H]3COC[C@H]3O)CC2)ncc1C(N)=O ZINC000257276840 203006715 /nfs/dbraw/zinc/00/67/15/203006715.db2.gz NVJBTTLXDBRJEB-QWHCGFSZSA-N 1 0 306.366 -0.177 40 0 DBABRO O=C([C@@H]1CCS(=O)(=O)C1)N1CC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000257323565 203047153 /nfs/dbraw/zinc/04/71/53/203047153.db2.gz WKXIYEDWYBNQLU-TZMCWYRMSA-N 1 0 316.423 -0.520 40 0 DBABRO CNC(=O)c1cn(C)nc1CC1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000257339571 203063074 /nfs/dbraw/zinc/06/30/74/203063074.db2.gz ZCIWOCRSMUBRFX-HUUCEWRRSA-N 1 0 322.409 -0.206 40 0 DBABRO OC[C@@H]1O[C@H](C[NH2+]C2CCOCC2)[C@H](N2CCCC2)[C@@H]1O ZINC000020465048 182220640 /nfs/dbraw/zinc/22/06/40/182220640.db2.gz YKRMJWQUUVCFRP-CBBWQLFWSA-N 1 0 300.399 -0.660 40 0 biogenic,in-vitro DBABRO [NH3+]CCCC[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)[O-] ZINC000002575131 374256045 /nfs/dbraw/zinc/25/60/45/374256045.db2.gz AOLHUMAVONBBEZ-STQMWFEESA-N 1 0 309.366 -0.040 40 0 endogenous,in-man DBABRO CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCC[NH+](C)C)C1 ZINC000030848240 374432869 /nfs/dbraw/zinc/43/28/69/374432869.db2.gz CKEHLVHJINWCGV-LLVKDONJSA-N 1 0 306.432 -0.817 40 0 DBABRO O=C(NCC[NH2+]Cc1ccccn1)C(=O)NCc1ccccn1 ZINC000068604240 374674788 /nfs/dbraw/zinc/67/47/88/374674788.db2.gz LVVAWUVPLLNDMQ-UHFFFAOYSA-N 1 0 313.361 -0.001 40 0 DBABRO Cc1noc(C)c1CN1C(=O)C[C@H]2[C@@H]1CC[N@@H+]2C[C@@H](O)CO ZINC000585109126 374743561 /nfs/dbraw/zinc/74/35/61/374743561.db2.gz WYVWUEMUOCOSHO-XBFCOCLRSA-N 1 0 309.366 -0.180 40 0 DBABRO CN(C(=O)CC[N@H+](C)Cc1cccnc1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585286950 374880366 /nfs/dbraw/zinc/88/03/66/374880366.db2.gz OWJMPRZARMIIGF-FMKPAKJESA-N 1 0 323.393 -0.518 40 0 DBABRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)c3ccnnc3)C[C@H]21 ZINC000096054310 374845481 /nfs/dbraw/zinc/84/54/81/374845481.db2.gz MLXOCKKMWMEHBK-KGLIPLIRSA-N 1 0 305.382 -0.437 40 0 DBABRO COCC[N@@H+]1C[C@H]2OC[C@H](C(=O)NCc3cnc(C)cn3)[C@H]2C1 ZINC000096215915 374852051 /nfs/dbraw/zinc/85/20/51/374852051.db2.gz NKESYTGGBLGJDV-QLFBSQMISA-N 1 0 320.393 -0.006 40 0 DBABRO CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCCC[NH+](C)C)C1 ZINC000216263385 376564295 /nfs/dbraw/zinc/56/42/95/376564295.db2.gz XKYLNAZOCUHEGW-LBPRGKRZSA-N 1 0 320.459 -0.427 40 0 DBABRO CNC(=O)[C@@H]1CN(C(=O)Cn2cc(Cl)cn2)CC[N@H+](C)C1 ZINC000257218320 377235793 /nfs/dbraw/zinc/23/57/93/377235793.db2.gz DCRODWMJPIHVNZ-JTQLQIEISA-N 1 0 313.789 -0.327 40 0 DBABRO C[N@@H+]1CCN(C(=O)Cn2nnc3ccccc32)C[C@@H](C(N)=O)C1 ZINC000257236038 377237450 /nfs/dbraw/zinc/23/74/50/377237450.db2.gz HAOHHVSXSYTKPU-NSHDSACASA-N 1 0 316.365 -0.693 40 0 DBABRO Cc1nn(C)cc1S(=O)(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC000257253579 377240755 /nfs/dbraw/zinc/24/07/55/377240755.db2.gz JZLWRDGMQIUURV-GFCCVEGCSA-N 1 0 302.400 -0.584 40 0 DBABRO C[C@]1(C(=O)NCC[NH+]2CCCC2)CN(S(C)(=O)=O)CCO1 ZINC000257344441 377244212 /nfs/dbraw/zinc/24/42/12/377244212.db2.gz ZXFHDLFFXQFYJV-CYBMUJFWSA-N 1 0 319.427 -0.751 40 0 DBABRO OCCCNc1nc(NCCN2CCOCC2)cc(C2CC2)[nH+]1 ZINC000328965945 378411388 /nfs/dbraw/zinc/41/13/88/378411388.db2.gz CGXGROWWRVKCHK-UHFFFAOYSA-N 1 0 321.425 -0.264 40 0 DBABRO C[C@@H](CO)Nc1nc(NCCN2CCOCC2)cc(C2CC2)[nH+]1 ZINC000328967240 378411404 /nfs/dbraw/zinc/41/14/04/378411404.db2.gz CRXCBDVGMMBPBE-LBPRGKRZSA-N 1 0 321.425 -0.265 40 0 DBABRO COCC(=O)NC[C@H]1OC[C@@H]([NH2+]Cc2cccs2)[C@@H]1O ZINC000077264169 379828685 /nfs/dbraw/zinc/82/86/85/379828685.db2.gz WEOSRXJXZTYVLZ-WZRBSPASSA-N 1 0 300.380 -0.271 40 0 biogenic,in-vitro DBABRO CCN(CC)S(=O)(=O)N1C[C@H]2CC[NH2+]C[C@@]2(NC(C)=O)C1 ZINC000019713595 382250766 /nfs/dbraw/zinc/25/07/66/382250766.db2.gz BNMZECKBDPETEF-CHWSQXEVSA-N 1 0 318.443 -0.627 40 0 DBABRO O=C(NCC[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1O)C1CCCCC1 ZINC000217344590 257132186 /nfs/dbraw/zinc/13/21/86/257132186.db2.gz XFXCHVGSIXEUSV-NEPJUHHUSA-N 1 0 304.412 -0.570 40 0 DBABRO COC(=O)C[C@H]([NH3+])C(=O)N[C@H](Cc1ccccc1)C(=O)OC ZINC000034797453 392417113 /nfs/dbraw/zinc/41/71/13/392417113.db2.gz CCKAUXJBOBDHLB-NWDGAFQWSA-N 1 0 308.334 -0.223 40 0 DBABRO CNC(=O)[C@H]1CN(C(=O)C2CCN(C(C)=O)CC2)CC[N@H+](C)C1 ZINC000257245359 392895796 /nfs/dbraw/zinc/89/57/96/392895796.db2.gz IPCZNQWQVFGWPJ-CQSZACIVSA-N 1 0 324.425 -0.619 40 0 DBABRO Cc1c(CCC(=O)N2[C@@H](CC(N)=O)CC[C@H]2C[NH3+])cnn1C ZINC000257295594 392898079 /nfs/dbraw/zinc/89/80/79/392898079.db2.gz QZBFFDMJYIAVAZ-OLZOCXBDSA-N 1 0 307.398 -0.145 40 0 DBABRO CO[C@@H]1O[C@H](C[NH3+])[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000095869861 285869760 /nfs/dbraw/zinc/86/97/60/285869760.db2.gz VYDBDCQBZQQWCJ-UJPOAAIJSA-N 1 0 319.310 -0.889 40 0 DBABRO CN(C)C(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CC[NH2+]C2 ZINC000096237666 276743915 /nfs/dbraw/zinc/74/39/15/276743915.db2.gz GRWAOQKGIWWAKQ-AWEZNQCLSA-N 1 0 306.370 -0.518 40 0 DBABRO CNC(=O)[C@@H]1CN(C(C)=O)CC[N@@H+](C2CCN(C(C)=O)CC2)C1 ZINC000257225558 277009693 /nfs/dbraw/zinc/00/96/93/277009693.db2.gz FGSREVOTDAFGQN-CQSZACIVSA-N 1 0 324.425 -0.476 40 0 DBABRO C[NH+](C)CCN1C[C@@H]2CN(S(=O)(=O)C3CC3)C[C@@H]2C1=O ZINC000096244963 289158377 /nfs/dbraw/zinc/15/83/77/289158377.db2.gz NDKPASXCLLFYKH-PWSUYJOCSA-N 1 0 301.412 -0.570 40 0 DBABRO [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000002575122 303376176 /nfs/dbraw/zinc/37/61/76/303376176.db2.gz MYTOTTSMVMWVJN-STQMWFEESA-N 1 0 309.366 -0.040 40 0 endogenous,in-man DBABRO OCc1cn(C[C@H]2OC[C@H](O)[C@H]2[NH2+]Cc2ccncc2)nn1 ZINC001549162254 1015707083 /nfs/dbraw/zinc/70/70/83/1015707083.db2.gz SQYFKKUSEXDEBR-BFHYXJOUSA-N 1 0 305.338 -0.917 40 0 DBABRO COC(=O)C[C@@H]([NH3+])C(=O)N[C@H](Cc1ccccc1)C(=O)OC ZINC000076934069 185057239 /nfs/dbraw/zinc/05/72/39/185057239.db2.gz CCKAUXJBOBDHLB-VXGBXAGGSA-N 1 0 308.334 -0.223 40 0 DBABRO Cc1cc(CCC(=O)NCC(N)=O)nc([C@@H]2CCC[NH2+]C2)n1 ZINC000072366924 191136926 /nfs/dbraw/zinc/13/69/26/191136926.db2.gz ZBVBFHBEFVPPRF-LLVKDONJSA-N 1 0 305.382 -0.214 40 0 DBABRO O=C(Cn1cccnc1=O)N1CC[C@](O)(C[NH+]2CCCC2)C1 ZINC000257296707 203020532 /nfs/dbraw/zinc/02/05/32/203020532.db2.gz REARABJFVLCUKT-HNNXBMFYSA-N 1 0 306.366 -0.698 40 0 DBABRO CN(C)C(=O)[C@@H]1CN(S(C)(=O)=O)CC[N@H+](CC2CC2)C1 ZINC000257295298 203021782 /nfs/dbraw/zinc/02/17/82/203021782.db2.gz QXTGZKTTXWDAGK-LBPRGKRZSA-N 1 0 303.428 -0.322 40 0 DBABRO O=S(=O)(N1CC[C@](O)(C[NH+]2CCCC2)C1)N1CCOCC1 ZINC000257307481 203033005 /nfs/dbraw/zinc/03/30/05/203033005.db2.gz SYUGXRHZHTXFCD-ZDUSSCGKSA-N 1 0 319.427 -0.904 40 0 DBABRO O=C(NC[C@]1(O)CC[N@@H+](CC2CCC2)C[C@H]1O)c1cnccn1 ZINC000257308863 203034613 /nfs/dbraw/zinc/03/46/13/203034613.db2.gz TYMYPKBULBSGDF-GDBMZVCRSA-N 1 0 320.393 -0.196 40 0 DBABRO O=C(C[NH+]1CCCCCC1)N1C[C@@H](O)[C@H](N2CCOCC2)C1 ZINC000257320199 203044947 /nfs/dbraw/zinc/04/49/47/203044947.db2.gz VVSPLCLOYXTPLH-HUUCEWRRSA-N 1 0 311.426 -0.234 40 0 DBABRO CNC(=O)c1cn(C)nc1CC1CC[NH+]([C@@H]2COC[C@@H]2O)CC1 ZINC000257339569 203062771 /nfs/dbraw/zinc/06/27/71/203062771.db2.gz ZCIWOCRSMUBRFX-CABCVRRESA-N 1 0 322.409 -0.206 40 0 DBABRO CNC(=O)c1cn(C)nc1CC1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000257339572 203063382 /nfs/dbraw/zinc/06/33/82/203063382.db2.gz ZCIWOCRSMUBRFX-LSDHHAIUSA-N 1 0 322.409 -0.206 40 0 DBABRO NC(=[NH2+])NCCCCC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000001567955 374241491 /nfs/dbraw/zinc/24/14/91/374241491.db2.gz BHPAWACLXRJCAD-UHFFFAOYSA-N 1 0 313.383 -0.074 40 0 DBABRO NC(=O)[C@H](CO)NC(=O)c1ccc[n+](Cc2ccccc2)c1 ZINC000001611010 374241663 /nfs/dbraw/zinc/24/16/63/374241663.db2.gz LZBBAFHYZRRJSH-AWEZNQCLSA-O 1 0 300.338 -0.402 40 0 DBABRO CC(C)N(C)C(=O)C1=NO[C@@]2(C1)CCC[N@H+](C[C@@H](O)CO)C2 ZINC000585101098 374742436 /nfs/dbraw/zinc/74/24/36/374742436.db2.gz DIFCDSXQCXXEKN-IUODEOHRSA-N 1 0 313.398 -0.183 40 0 DBABRO CO[C@@H]1CC[N@H+](CCC(N)=O)C[C@H]1CC(=O)N1CCOCC1 ZINC000585273948 374869494 /nfs/dbraw/zinc/86/94/94/374869494.db2.gz GXBRBUXRWGDUIE-CHWSQXEVSA-N 1 0 313.398 -0.552 40 0 DBABRO CC1CC[NH+](CC(=O)N2CCOC[C@](O)(CC(N)=O)C2)CC1 ZINC000585281514 374874665 /nfs/dbraw/zinc/87/46/65/374874665.db2.gz YNLYFXSEWHAUMM-HNNXBMFYSA-N 1 0 313.398 -0.816 40 0 DBABRO C[N@H+](CC1CCN(Cc2ncc[nH]2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585290458 374879100 /nfs/dbraw/zinc/87/91/00/374879100.db2.gz DJXUDOKEBCPNFF-FMKPAKJESA-N 1 0 324.425 -0.326 40 0 DBABRO C[NH+](C)CCOCc1nnc2n1CCN(S(C)(=O)=O)C2 ZINC000096259018 374853928 /nfs/dbraw/zinc/85/39/28/374853928.db2.gz OEFSKMCWCNREJO-UHFFFAOYSA-N 1 0 303.388 -0.869 40 0 DBABRO CS(=O)(=O)NCC(=O)N[C@@H]1CCCN(c2ccccn2)C1 ZINC000130880335 375108570 /nfs/dbraw/zinc/10/85/70/375108570.db2.gz AXRHZKVQPMNPIL-LLVKDONJSA-N 1 0 312.395 -0.284 40 0 DBABRO C[N@@H+]1C[C@H](NC(=O)C2=Cc3ccccc3OC2)[C@H](C(N)=O)C1 ZINC000257232681 377238867 /nfs/dbraw/zinc/23/88/67/377238867.db2.gz GLXWZNXXFJAXRX-OLZOCXBDSA-N 1 0 301.346 -0.006 40 0 DBABRO Cc1nn(C)c(C)c1CC(=O)N1[C@@H](CC(N)=O)CC[C@H]1C[NH3+] ZINC000257253165 377240369 /nfs/dbraw/zinc/24/03/69/377240369.db2.gz JXUNABUYKOKPFI-NEPJUHHUSA-N 1 0 307.398 -0.227 40 0 DBABRO Cc1cc(C(=O)N2CC[N@@H+](C)C[C@H](C(N)=O)C2)c(=O)[nH]c1C ZINC000257251227 377240922 /nfs/dbraw/zinc/24/09/22/377240922.db2.gz JPYNPPNBHNQTDM-NSHDSACASA-N 1 0 306.366 -0.107 40 0 DBABRO CNC(=O)[C@@H]1CN(C(=O)c2ccc3n[nH]nc3c2)CC[N@H+](C)C1 ZINC000257254998 377241641 /nfs/dbraw/zinc/24/16/41/377241641.db2.gz KFRPAWLNQPPRCV-NSHDSACASA-N 1 0 316.365 -0.292 40 0 DBABRO COCCOC[C@]1(C[NH2+]C2CCN(C)CC2)C[C@@H](O)[C@@H](O)C1 ZINC000107430827 379844217 /nfs/dbraw/zinc/84/42/17/379844217.db2.gz CLWLRTVVRNRYLX-MUJYYYPQSA-N 1 0 316.442 -0.165 40 0 biogenic,in-vitro DBABRO O=C(NC[C@H]1OC[C@@H](NC2CC[NH2+]CC2)[C@@H]1O)c1ccncc1 ZINC000077265227 379828612 /nfs/dbraw/zinc/82/86/12/379828612.db2.gz SEJXLKPZQHVYSR-KFWWJZLASA-N 1 0 320.393 -0.719 40 0 biogenic,in-vitro DBABRO COC(=O)[C@H]1C([O-])=NC(N2CC[NH+](C)CC2)=[NH+][C@H]1c1ccco1 ZINC000019818126 291809023 /nfs/dbraw/zinc/80/90/23/291809023.db2.gz IBVCFWSBQAFPDR-NEPJUHHUSA-N 1 0 320.349 -0.157 40 0 DBABRO O=C(NCC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1O)C1CCCCC1 ZINC000217344433 257132090 /nfs/dbraw/zinc/13/20/90/257132090.db2.gz XFXCHVGSIXEUSV-RYUDHWBXSA-N 1 0 304.412 -0.570 40 0 DBABRO O=C(NCC[NH2+][C@H]1CS(=O)(=O)C[C@H]1O)C1CCCCC1 ZINC000217344364 257132628 /nfs/dbraw/zinc/13/26/28/257132628.db2.gz XFXCHVGSIXEUSV-NWDGAFQWSA-N 1 0 304.412 -0.570 40 0 DBABRO COCC(=O)N[C@H]1CO[C@@H](C[NH+]2CCC(F)(F)CC2)[C@@H]1O ZINC000514289159 257216033 /nfs/dbraw/zinc/21/60/33/257216033.db2.gz WLIHDXPGXKVHPO-JBLDHEPKSA-N 1 0 308.325 -0.392 40 0 biogenic,in-vitro DBABRO CCCC[N@H+](C)C[C@@H]1OC[C@H](NC(=O)N2CCOCC2)[C@H]1O ZINC000514288377 257216577 /nfs/dbraw/zinc/21/65/77/257216577.db2.gz BSOKSDKMMYCXEH-MELADBBJSA-N 1 0 315.414 -0.112 40 0 biogenic,in-vitro DBABRO C[NH+]1CCN(C[C@@H]2OC[C@H](NC(=O)CC(C)(C)C)[C@H]2O)CC1 ZINC000514289282 257216667 /nfs/dbraw/zinc/21/66/67/257216667.db2.gz PDXSUBFTMUMASH-KCQAQPDRSA-N 1 0 313.442 -0.086 40 0 biogenic,in-vitro DBABRO CC(C)C[NH+]1CC2(C1)CN(C(=O)CCO)C[C@@H]1C[C@@H](O)CN12 ZINC000514289936 257215498 /nfs/dbraw/zinc/21/54/98/257215498.db2.gz QKOWHMDGHRDYPE-UONOGXRCSA-N 1 0 311.426 -0.643 40 0 biogenic,in-vitro DBABRO CC(=O)Nc1cc(C(=O)N2CC[N@@H+](C)C[C@H](C(N)=O)C2)ccn1 ZINC000257252856 392895765 /nfs/dbraw/zinc/89/57/65/392895765.db2.gz JWIVAVGDXKNAGX-LBPRGKRZSA-N 1 0 319.365 -0.471 40 0 DBABRO Nc1nc2c(c(N)n1)C[C@@]1(CCCN(C(=O)CC[NH3+])CC1)O2 ZINC000257291767 392897300 /nfs/dbraw/zinc/89/73/00/392897300.db2.gz QINUAOQQXDKVJJ-AWEZNQCLSA-N 1 0 306.370 -0.324 40 0 DBABRO CCc1nccn1CCC(=O)N1CC[N@H+](C)C[C@H](C(=O)NC)C1 ZINC000257279766 392897926 /nfs/dbraw/zinc/89/79/26/392897926.db2.gz OICCSUQXUNTLFM-ZDUSSCGKSA-N 1 0 321.425 -0.028 40 0 DBABRO CCOC[C@H]1CCS(=O)(=O)C12CN(C(=O)CC[NH+](C)C)C2 ZINC000306125723 286180770 /nfs/dbraw/zinc/18/07/70/286180770.db2.gz CZWQFVJEIDSDQH-GFCCVEGCSA-N 1 0 318.439 -0.010 40 0 DBABRO CNc1ncc(C[N@H+]2C[C@H](OC)[C@@H](CC(=O)N(C)C)C2)cn1 ZINC000585278074 418971326 /nfs/dbraw/zinc/97/13/26/418971326.db2.gz QDBYQIVVOCIUEO-STQMWFEESA-N 1 0 307.398 0.443 40 0 DBABRO CN(C)C(=O)CC[NH+]1CCN(c2ncccc2C(N)=O)CC1 ZINC000299450425 273787167 /nfs/dbraw/zinc/78/71/67/273787167.db2.gz QWGGYXISABPDHV-UHFFFAOYSA-N 1 0 305.382 -0.219 40 0 DBABRO NC(=O)[C@@H]1CN(c2ncccn2)CC[N@@H+](C2CCOCC2)C1 ZINC000257338754 295118703 /nfs/dbraw/zinc/11/87/03/295118703.db2.gz YYVJZEXMYMQQLV-LBPRGKRZSA-N 1 0 305.382 -0.121 40 0 DBABRO CC(=O)N1CCN(Cc2cnn(C)c2)C[C@@]2(CC(=O)N(C)C2)C1 ZINC000097952734 332203455 /nfs/dbraw/zinc/20/34/55/332203455.db2.gz OPMGLFOEMFURBI-INIZCTEOSA-N 1 0 319.409 -0.067 40 0 DBABRO COCC(=O)N1CC[NH2+]C[C@@H](Cc2cc(N(C)C)ncn2)C1 ZINC000072355054 191128884 /nfs/dbraw/zinc/12/88/84/191128884.db2.gz WCEJYYHJEOILFP-GFCCVEGCSA-N 1 0 307.398 -0.221 40 0 DBABRO CC1(c2n[nH]cc2S(C)(=O)=O)CCN(C(=O)C[NH3+])CC1 ZINC000072388857 191147827 /nfs/dbraw/zinc/14/78/27/191147827.db2.gz SXNJXJSPKALZCC-UHFFFAOYSA-N 1 0 300.384 -0.348 40 0 DBABRO Cn1cnc(S(=O)(=O)N[C@@H]2CC[C@@H]([NH+]3CCCC3)[C@@H]2O)c1 ZINC000257295450 203021643 /nfs/dbraw/zinc/02/16/43/203021643.db2.gz QYIFVTSGYWOPRV-NQBHXWOUSA-N 1 0 314.411 -0.314 40 0 DBABRO C[NH+](C)CCCNC(=O)[C@@]1(C)CN(S(C)(=O)=O)CCO1 ZINC000257300991 203025771 /nfs/dbraw/zinc/02/57/71/203025771.db2.gz RWLXDDWBTPLQRH-GFCCVEGCSA-N 1 0 307.416 -0.895 40 0 DBABRO C[NH2+][C@@H]1CCC[C@@H](n2cnc3c2n(C)c(=O)n(C)c3=O)[C@@H]1O ZINC000257301013 203026050 /nfs/dbraw/zinc/02/60/50/203026050.db2.gz RWNPJCVKSFYNOO-FXPVBKGRSA-N 1 0 307.354 -0.892 40 0 DBABRO Cn1cc(C(=O)N2CC[C@@](O)(C[NH+]3CCN(C)CC3)C2)cn1 ZINC000257307766 203031841 /nfs/dbraw/zinc/03/18/41/203031841.db2.gz TUAGUIKOKSHNHG-OAHLLOKOSA-N 1 0 307.398 -0.756 40 0 DBABRO O=C(NC[C@]1(O)C[N@@H+](Cc2ccsc2)C[C@H]1O)c1cnc[nH]1 ZINC000257315982 203041005 /nfs/dbraw/zinc/04/10/05/203041005.db2.gz VDPOBODERSQKAH-OCCSQVGLSA-N 1 0 322.390 -0.191 40 0 DBABRO C[C@@]1(C(=O)NCC[NH+]2CCCC2)CN(S(C)(=O)=O)CCO1 ZINC000257344442 203066289 /nfs/dbraw/zinc/06/62/89/203066289.db2.gz ZXFHDLFFXQFYJV-ZDUSSCGKSA-N 1 0 319.427 -0.751 40 0 DBABRO OCC[N@@H+]1CCOC[C@@]2(C[C@H](CNc3cnccn3)CO2)C1 ZINC000096240688 193596728 /nfs/dbraw/zinc/59/67/28/193596728.db2.gz HKCYGCFXIYSWGD-UKRRQHHQSA-N 1 0 308.382 -0.012 40 0 DBABRO NC(=O)COc1ccc(C(=O)N[C@@H]2C[NH2+]CCC[C@H]2O)cc1 ZINC000015671918 182011200 /nfs/dbraw/zinc/01/12/00/182011200.db2.gz UJXWSAWZLUYJGY-CHWSQXEVSA-N 1 0 307.350 -0.607 40 0 biogenic,in-vitro DBABRO O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCCC1)c1ccco1 ZINC000020465005 182220806 /nfs/dbraw/zinc/22/08/06/182220806.db2.gz OEUCHCOKXOQRDU-ZOBORPQBSA-N 1 0 310.350 -0.406 40 0 biogenic,in-vitro DBABRO COCC(=O)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2CN1CCOCC1 ZINC000020503793 182224767 /nfs/dbraw/zinc/22/47/67/182224767.db2.gz IVQNNBUAHNOOPB-SOUVJXGZSA-N 1 0 311.426 -0.208 40 0 biogenic,in-vitro DBABRO CC[NH+](CC)CCn1c(CO)nc2c1c(=O)n(C)c(=O)n2C ZINC000001668903 374241966 /nfs/dbraw/zinc/24/19/66/374241966.db2.gz BHAZGBKRDPBLOD-UHFFFAOYSA-N 1 0 309.370 -0.732 40 0 DBABRO C[NH+](C)CC(=O)N1Cc2ccnn2CC[C@@H]1CN1CCOCC1 ZINC000585097336 374741278 /nfs/dbraw/zinc/74/12/78/374741278.db2.gz KGDOXFFXMNKKES-CQSZACIVSA-N 1 0 321.425 -0.122 40 0 DBABRO Cc1noc(C)c1CN1C(=O)C[C@H]2[C@@H]1CC[N@@H+]2C[C@H](O)CO ZINC000585109125 374743165 /nfs/dbraw/zinc/74/31/65/374743165.db2.gz WYVWUEMUOCOSHO-UBHSHLNASA-N 1 0 309.366 -0.180 40 0 DBABRO CC1CC[NH+](CC(=O)N2CCOC[C@@](O)(CC(N)=O)C2)CC1 ZINC000585281518 374875379 /nfs/dbraw/zinc/87/53/79/374875379.db2.gz YNLYFXSEWHAUMM-OAHLLOKOSA-N 1 0 313.398 -0.816 40 0 DBABRO COCC[NH2+]C[C@@]1(O)CCN(C(=O)Cc2ccccc2)C[C@@H]1O ZINC000585291019 374878963 /nfs/dbraw/zinc/87/89/63/374878963.db2.gz ZJRQULRFUPFNSF-RDJZCZTQSA-N 1 0 322.405 -0.211 40 0 DBABRO O=C(/C=C/CN1CCOCC1)N[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000585291274 374882498 /nfs/dbraw/zinc/88/24/98/374882498.db2.gz OIRWLHCPBBEJRM-OVKMHZHDSA-N 1 0 323.437 -0.021 40 0 DBABRO C[NH+](C)CCN1C(=O)CO[C@@H]2CN(c3ncc(F)cn3)C[C@H]21 ZINC000096081568 374845695 /nfs/dbraw/zinc/84/56/95/374845695.db2.gz WAORPJQKNNCRNR-VXGBXAGGSA-N 1 0 309.345 -0.407 40 0 DBABRO CS(=O)(=O)CC(=O)N1C[C@@H]2C[N@H+](CC3CC3)CCO[C@@H]2C1 ZINC000096218338 374851906 /nfs/dbraw/zinc/85/19/06/374851906.db2.gz YMNORLTXEMUFSC-QWHCGFSZSA-N 1 0 316.423 -0.400 40 0 DBABRO OCC[N@@H+]1CCOC[C@]2(C[C@H](CNc3cnccn3)CO2)C1 ZINC000096240686 374853138 /nfs/dbraw/zinc/85/31/38/374853138.db2.gz HKCYGCFXIYSWGD-HIFRSBDPSA-N 1 0 308.382 -0.012 40 0 DBABRO OCC[N@@H+]1CCOC[C@]2(C[C@@H](CNc3cnccn3)CO2)C1 ZINC000096240685 374853292 /nfs/dbraw/zinc/85/32/92/374853292.db2.gz HKCYGCFXIYSWGD-ZFWWWQNUSA-N 1 0 308.382 -0.012 40 0 DBABRO CN1C(=O)C2(C[C@@H]1Cc1cnccn1)CCN(C(=O)C[NH3+])CC2 ZINC000257252753 377239820 /nfs/dbraw/zinc/23/98/20/377239820.db2.gz JWAQEHJDXDLEPQ-ZDUSSCGKSA-N 1 0 317.393 -0.183 40 0 DBABRO CC(=O)N1CCC([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn[nH]3)C2)CC1 ZINC000257268773 377242807 /nfs/dbraw/zinc/24/28/07/377242807.db2.gz MNCYTXMXHJUKDN-ZIAGYGMSSA-N 1 0 321.381 -0.805 40 0 DBABRO CS(=O)(=O)NCC(=O)N[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257323861 377243759 /nfs/dbraw/zinc/24/37/59/377243759.db2.gz WMDOMENFUWZZLD-NQBHXWOUSA-N 1 0 319.427 -0.970 40 0 DBABRO COCC(=O)NC[C@H]1OC[C@@H]([NH2+]Cc2ccc(F)cc2)[C@@H]1O ZINC000077264127 379828326 /nfs/dbraw/zinc/82/83/26/379828326.db2.gz FKSAHNBKWIYDDS-NFAWXSAZSA-N 1 0 312.341 -0.194 40 0 biogenic,in-vitro DBABRO O=C(NC[C@H]1OC[C@@H]([NH2+]C2CCCC2)[C@@H]1O)N1CCOCC1 ZINC000077264968 379828554 /nfs/dbraw/zinc/82/85/54/379828554.db2.gz DTOQIIFIWFJAHL-MCIONIFRSA-N 1 0 313.398 -0.311 40 0 biogenic,in-vitro DBABRO CN1C(=O)[C@@H]2C[C@@H](O)CN2C2(C[NH+](C3CCCCC3)C2)C1=O ZINC000225381097 382500803 /nfs/dbraw/zinc/50/08/03/382500803.db2.gz LTFUXXBEIYRRRW-OLZOCXBDSA-N 1 0 307.394 -0.193 40 0 biogenic,in-vitro DBABRO COC[C@H]1CCC[N@@H+]1C[C@@H]1OC[C@H](NC(=O)NC(C)C)[C@H]1O ZINC000514288921 257216028 /nfs/dbraw/zinc/21/60/28/257216028.db2.gz KACGUSWMXJZKMN-ZOBORPQBSA-N 1 0 315.414 -0.067 40 0 biogenic,in-vitro DBABRO CCCNC(=O)N[C@H]1CO[C@@H](CN2CC[NH+](C)CC2)[C@@H]1O ZINC000514289044 257216409 /nfs/dbraw/zinc/21/64/09/257216409.db2.gz MQVZYIFPOKXGMP-RWMBFGLXSA-N 1 0 300.403 -0.929 40 0 biogenic,in-vitro DBABRO CN(C)c1cc(C[C@@H]2C[NH2+]CCN(S(C)(=O)=O)C2)ncn1 ZINC000072343712 411664519 /nfs/dbraw/zinc/66/45/19/411664519.db2.gz MJKIXEXQQNJBNR-LLVKDONJSA-N 1 0 313.427 -0.434 40 0 DBABRO C[C@H]1OCCN[C@@H]1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000262295769 544696961 /nfs/dbraw/zinc/69/69/61/544696961.db2.gz PDCRGDGXEZNHJH-MXWKQRLJSA-N 1 0 324.347 -0.684 40 0 DBABRO NC(=O)[C@@H]1CN(c2ccncn2)CC[N@@H+](C2CCOCC2)C1 ZINC000257252379 295118535 /nfs/dbraw/zinc/11/85/35/295118535.db2.gz JUPMBGIGDOASPX-LBPRGKRZSA-N 1 0 305.382 -0.121 40 0 DBABRO O=C(CO)N1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC000096084384 295523959 /nfs/dbraw/zinc/52/39/59/295523959.db2.gz TYHYNRKOXOFKDN-UHFFFAOYSA-N 1 0 323.397 -0.385 40 0 DBABRO Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@@]32CC[NH2+]C2)cs1 ZINC000306135297 534432727 /nfs/dbraw/zinc/43/27/27/534432727.db2.gz OMTKWVBXVQRYRT-CQSZACIVSA-N 1 0 319.390 -0.147 40 0 DBABRO CN1[C@@H]2CN(C3CC[NH+](C)CC3)C[C@@H]2OCCS1(=O)=O ZINC001534639773 1015258768 /nfs/dbraw/zinc/25/87/68/1015258768.db2.gz CAAFACNBDGXBPG-OLZOCXBDSA-N 1 0 303.428 -0.575 40 0 DBABRO O[C@H]1CO[C@H](Cn2cc(C3CC3)nn2)[C@@H]1NC1CC[NH2+]CC1 ZINC001549160951 1015706649 /nfs/dbraw/zinc/70/66/49/1015706649.db2.gz IKZQKTLGJSSUHT-RRFJBIMHSA-N 1 0 307.398 -0.375 40 0 DBABRO COCc1cn(C[C@H]2OC[C@H](O)[C@H]2[NH2+]C2CCOCC2)nn1 ZINC001549159243 1015707613 /nfs/dbraw/zinc/70/76/13/1015707613.db2.gz REPFUCNMRAABTF-BFHYXJOUSA-N 1 0 312.370 -0.679 40 0 DBABRO OCc1cn(C[C@H]2OC[C@H](O)[C@H]2[NH2+]Cc2cccs2)nn1 ZINC001549161862 1015707656 /nfs/dbraw/zinc/70/76/56/1015707656.db2.gz OJFLZQUUYLSHTQ-YNEHKIRRSA-N 1 0 310.379 -0.250 40 0 DBABRO C[NH+]1CCC(NC(=O)[C@H]2CN(c3ncccn3)CCO2)CC1 ZINC000072352789 191129506 /nfs/dbraw/zinc/12/95/06/191129506.db2.gz VLESURUSNPCDQL-CYBMUJFWSA-N 1 0 305.382 -0.108 40 0 DBABRO C[NH+]1CCC(NC(=O)[C@@H]2CN(c3cncnc3)CCO2)CC1 ZINC000072366511 191135276 /nfs/dbraw/zinc/13/52/76/191135276.db2.gz IPCNZGVMOFHBKE-AWEZNQCLSA-N 1 0 305.382 -0.108 40 0 DBABRO CC(C)[C@@](O)(C(=O)OC[C@@H]1CC[N@@H+]2CC[C@@H](O)[C@H]12)[C@H](C)O ZINC000005733625 181278345 /nfs/dbraw/zinc/27/83/45/181278345.db2.gz NMPPLGMVCCNRTJ-AIUMHDJVSA-N 1 0 301.383 -0.247 40 0 DBABRO CCn1ncc(S(=O)(=O)N2CC[C@@](O)(C[NH+](C)C)C2)c1C ZINC000257270596 203000559 /nfs/dbraw/zinc/00/05/59/203000559.db2.gz MUWKUTHTCNILIB-CYBMUJFWSA-N 1 0 316.427 -0.101 40 0 DBABRO NC(=O)[C@H]1CN(Cc2c[nH]cn2)CC[N@@H+](C2CCOCC2)C1 ZINC000257302392 203027749 /nfs/dbraw/zinc/02/77/49/203027749.db2.gz SCTGCUKOSUBERJ-LBPRGKRZSA-N 1 0 307.398 -0.192 40 0 DBABRO O=S(=O)(N1CC[C@@](O)(C[NH+]2CCCC2)C1)N1CCOCC1 ZINC000257307480 203032566 /nfs/dbraw/zinc/03/25/66/203032566.db2.gz SYUGXRHZHTXFCD-CYBMUJFWSA-N 1 0 319.427 -0.904 40 0 DBABRO [NH3+]CCc1ccc(C(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1 ZINC000257322198 203047564 /nfs/dbraw/zinc/04/75/64/203047564.db2.gz WEZUXGISSJHJCE-KBPBESRZSA-N 1 0 303.362 -0.083 40 0 DBABRO CNC(=O)c1cn(C)nc1CC1CC[NH+]([C@H]2COC[C@@H]2O)CC1 ZINC000257339570 203062386 /nfs/dbraw/zinc/06/23/86/203062386.db2.gz ZCIWOCRSMUBRFX-GJZGRUSLSA-N 1 0 322.409 -0.206 40 0 DBABRO CC(=O)Nc1nonc1NC(=O)CSc1nc(N)cc(N)[nH+]1 ZINC000002390410 374253379 /nfs/dbraw/zinc/25/33/79/374253379.db2.gz DYVCLDZJNKLIGJ-UHFFFAOYSA-N 1 0 324.326 -0.287 40 0 DBABRO Cn1cc(N2C[C@]3(CCC[N@H+](C[C@H](O)CO)C3)C2=O)ccc1=O ZINC000585099679 374743342 /nfs/dbraw/zinc/74/33/42/374743342.db2.gz WUBURASJTIKINM-XJKSGUPXSA-N 1 0 321.377 -0.833 40 0 DBABRO CCC[NH2+]C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O ZINC000585291109 374879429 /nfs/dbraw/zinc/87/94/29/374879429.db2.gz KPBJIOALHWHGCM-KGLIPLIRSA-N 1 0 314.407 -0.218 40 0 DBABRO COCCC(=O)N1CCC([N@H+](C)[C@@H]2COC[C@@H](O)[C@H]2O)CC1 ZINC000585287737 374880460 /nfs/dbraw/zinc/88/04/60/374880460.db2.gz DCOOYMFOATUWNQ-NFAWXSAZSA-N 1 0 316.398 -0.934 40 0 DBABRO O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]CCO)C1 ZINC000585291260 374882215 /nfs/dbraw/zinc/88/22/15/374882215.db2.gz MKMYZWSFPTWYEW-ZBFHGGJFSA-N 1 0 308.378 -0.865 40 0 DBABRO CNC(=O)C[N@@H+]1CC[C@@H]2CN(c3cc(OC)ncn3)C[C@@H]2C1 ZINC000096081423 374845631 /nfs/dbraw/zinc/84/56/31/374845631.db2.gz LEVCTZNKGIXJSN-NEPJUHHUSA-N 1 0 305.382 -0.011 40 0 DBABRO Cn1cnc(S(=O)(=O)N2CCOC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000096201929 374851060 /nfs/dbraw/zinc/85/10/60/374851060.db2.gz WCPXQEHPOZLFDE-ZDUSSCGKSA-N 1 0 314.411 -0.237 40 0 DBABRO OCC[N@@H+]1CCOC[C@]2(C[C@@H](CNc3ncccn3)CO2)C1 ZINC000096240681 374853834 /nfs/dbraw/zinc/85/38/34/374853834.db2.gz WXAKWHPKQKKQDG-ZFWWWQNUSA-N 1 0 308.382 -0.012 40 0 DBABRO CC(=O)N1CCC(N2CC3(C2)C[N@H+](C)C[C@@H]2COCCN23)CC1 ZINC000604381826 376621708 /nfs/dbraw/zinc/62/17/08/376621708.db2.gz QJAYUVNCHPRGFW-MRXNPFEDSA-N 1 0 322.453 -0.302 40 0 biogenic,in-vitro DBABRO O=C([C@H]1Cn2ccnc2C2(CC[NH2+]CC2)O1)N1CCOCC1 ZINC000096144810 284593670 /nfs/dbraw/zinc/59/36/70/284593670.db2.gz IIZSFRCCHKRZBI-GFCCVEGCSA-N 1 0 306.366 -0.281 40 0 DBABRO CN(C[C@]1(O)CCN(c2ncccn2)C1)C(=O)C[NH+]1CCCC1 ZINC000257235995 377237480 /nfs/dbraw/zinc/23/74/80/377237480.db2.gz HAKFTMXRJUNSNT-MRXNPFEDSA-N 1 0 319.409 -0.028 40 0 DBABRO C[N@@H+]1CCN(C(=O)Cn2nnc3ccccc32)C[C@H](C(N)=O)C1 ZINC000257236037 377239409 /nfs/dbraw/zinc/23/94/09/377239409.db2.gz HAOHHVSXSYTKPU-LLVKDONJSA-N 1 0 316.365 -0.693 40 0 DBABRO CC(=O)Nc1cc(C(=O)N2CC[N@@H+](C)C[C@@H](C(N)=O)C2)ccn1 ZINC000257252855 377241501 /nfs/dbraw/zinc/24/15/01/377241501.db2.gz JWIVAVGDXKNAGX-GFCCVEGCSA-N 1 0 319.365 -0.471 40 0 DBABRO CNC(=O)[C@H]1CN(C(C)=O)CCN(C(=O)C2([NH3+])CCCC2)C1 ZINC000257301388 377242741 /nfs/dbraw/zinc/24/27/41/377242741.db2.gz RYHBMSUTPOREOC-LBPRGKRZSA-N 1 0 310.398 -0.689 40 0 DBABRO O=C(CN1C(=O)CNC1=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257269069 377242871 /nfs/dbraw/zinc/24/28/71/377242871.db2.gz MOLGVEBQALBHDJ-GFCCVEGCSA-N 1 0 302.334 -0.289 40 0 DBABRO O=C(N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)c1cnccn1 ZINC000257265836 377243488 /nfs/dbraw/zinc/24/34/88/377243488.db2.gz MAOJFWMWTDSEFR-ZIAGYGMSSA-N 1 0 306.366 -0.322 40 0 DBABRO CNC(=O)[C@H]1CN(C(=O)CCc2cc(OC)no2)CC[N@H+](C)C1 ZINC000257270939 377243517 /nfs/dbraw/zinc/24/35/17/377243517.db2.gz MWGHPBHJGDUGBW-LLVKDONJSA-N 1 0 324.381 -0.248 40 0 DBABRO C[C@H](CO)Nc1nc(NCCN2CCOCC2)cc(C2CC2)[nH+]1 ZINC000328967239 378412035 /nfs/dbraw/zinc/41/20/35/378412035.db2.gz CRXCBDVGMMBPBE-GFCCVEGCSA-N 1 0 321.425 -0.265 40 0 DBABRO O=S(=O)(NCC[NH2+][C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000575424648 378633769 /nfs/dbraw/zinc/63/37/69/378633769.db2.gz VAPQGSWPDFMRBV-NSHDSACASA-N 1 0 318.420 -0.258 40 0 DBABRO O=C(NC[C@H]1OC[C@@H]([NH2+]C2CCOCC2)[C@@H]1O)c1ccncc1 ZINC000077265219 379829312 /nfs/dbraw/zinc/82/93/12/379829312.db2.gz PVZHTHHXIIKTCX-KFWWJZLASA-N 1 0 321.377 -0.292 40 0 biogenic,in-vitro DBABRO CC(C)NC(=O)NC[C@H]1OC[C@@H](NC2CC[NH2+]CC2)[C@@H]1O ZINC000077264856 379828399 /nfs/dbraw/zinc/82/83/99/379828399.db2.gz QYDZLDCLDUNLER-UPJWGTAASA-N 1 0 300.403 -0.836 40 0 biogenic,in-vitro DBABRO CC(C)C[N@@H+]1C[C@H]2C[C@@H](O)CN2C2(CN(C(=O)CCO)C2)C1 ZINC000514289266 257216130 /nfs/dbraw/zinc/21/61/30/257216130.db2.gz KNHBWNLIWBSZBU-ZIAGYGMSSA-N 1 0 311.426 -0.643 40 0 biogenic,in-vitro DBABRO CC(C)C[N@@H+]1C[C@@H]2C[C@@H](O)CN2C2(CN(C(=O)CCO)C2)C1 ZINC000514289265 257216642 /nfs/dbraw/zinc/21/66/42/257216642.db2.gz KNHBWNLIWBSZBU-UONOGXRCSA-N 1 0 311.426 -0.643 40 0 biogenic,in-vitro DBABRO CN(C)C(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CC[NH2+]C2 ZINC000096237667 392489866 /nfs/dbraw/zinc/48/98/66/392489866.db2.gz GRWAOQKGIWWAKQ-CQSZACIVSA-N 1 0 306.370 -0.518 40 0 DBABRO CNC(=O)[C@H]1CN(C(=O)Cn2nc(C)cc2C)CC[N@H+](C)C1 ZINC000257199681 392895890 /nfs/dbraw/zinc/89/58/90/392895890.db2.gz AALUICRNBHLKTI-CYBMUJFWSA-N 1 0 307.398 -0.364 40 0 DBABRO C[NH2+]CC(=O)N1CCC[C@]2(Cc3c(nc(N)nc3N)O2)CC1 ZINC000257336019 392897155 /nfs/dbraw/zinc/89/71/55/392897155.db2.gz YMUXKHLKDDXELS-CQSZACIVSA-N 1 0 306.370 -0.453 40 0 DBABRO Nc1nc2c(c(N)n1)C[C@]1(CCCN(C(=O)CC[NH3+])CC1)O2 ZINC000257291768 392897256 /nfs/dbraw/zinc/89/72/56/392897256.db2.gz QINUAOQQXDKVJJ-CQSZACIVSA-N 1 0 306.370 -0.324 40 0 DBABRO CN(C)c1cc(C[C@H]2C[NH2+]CCN(S(C)(=O)=O)C2)ncn1 ZINC000072343713 411664067 /nfs/dbraw/zinc/66/40/67/411664067.db2.gz MJKIXEXQQNJBNR-NSHDSACASA-N 1 0 313.427 -0.434 40 0 DBABRO C[C@]12CN(C(=O)C[NH3+])C[C@H]1C(=O)Nc1ccccc1C(=O)N2 ZINC000012337904 300875281 /nfs/dbraw/zinc/87/52/81/300875281.db2.gz AGIOULRYCWQWKU-BONVTDFDSA-N 1 0 302.334 -0.456 40 0 DBABRO [NH3+]CC(=O)N1CCC[C@@]1(C(=O)N1CCCC1)c1cnccn1 ZINC000257267253 303365957 /nfs/dbraw/zinc/36/59/57/303365957.db2.gz MGOKNZNPUWOOTF-HNNXBMFYSA-N 1 0 303.366 -0.125 40 0 DBABRO O[C@@H]1[C@@H](n2cncn2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1ccncc1F ZINC000952844693 809006146 /nfs/dbraw/zinc/00/61/46/809006146.db2.gz LHKZECGKIFCAKC-XGFWRYKXSA-N 1 0 321.312 -0.372 40 0 biogenic,in-vitro DBABRO Cn1cc(C[NH2+][C@@H]2[C@H]3CO[C@H](O3)[C@H](n3cccn3)[C@H]2O)cn1 ZINC000952844791 809006294 /nfs/dbraw/zinc/00/62/94/809006294.db2.gz JGPDPAMQRVSOEB-XGFWRYKXSA-N 1 0 305.338 -0.568 40 0 biogenic,in-vitro DBABRO COCc1cn(C[C@H]2OC[C@H](O)[C@H]2[NH2+]Cc2cnc[nH]2)nn1 ZINC001549159245 1015706765 /nfs/dbraw/zinc/70/67/65/1015706765.db2.gz RLENXLGGDPDBHH-YNEHKIRRSA-N 1 0 308.342 -0.934 40 0 DBABRO COCC(=O)N1CC[NH2+]C[C@H](Cc2cc(N(C)C)ncn2)C1 ZINC000072355055 191129288 /nfs/dbraw/zinc/12/92/88/191129288.db2.gz WCEJYYHJEOILFP-LBPRGKRZSA-N 1 0 307.398 -0.221 40 0 DBABRO C[NH+]1CCC(NC(=O)[C@@H]2CN(c3ncccn3)CCO2)CC1 ZINC000072352788 191128783 /nfs/dbraw/zinc/12/87/83/191128783.db2.gz VLESURUSNPCDQL-ZDUSSCGKSA-N 1 0 305.382 -0.108 40 0 DBABRO CC[C@@H]([NH3+])C(=O)N1CCOCCOCCOCCOCC1 ZINC000005004340 181188893 /nfs/dbraw/zinc/18/88/93/181188893.db2.gz JXEWHKXEFOLTIX-CYBMUJFWSA-N 1 0 304.387 -0.368 40 0 DBABRO CCCC[N@H+](CCO)C[C@@H](O)Cn1cnc2c1ncnc2N ZINC000005499211 181250103 /nfs/dbraw/zinc/25/01/03/181250103.db2.gz CFSDUSRVHUYZSK-LLVKDONJSA-N 1 0 308.386 -0.136 40 0 DBABRO C[C@@]1(O)CCN(C(=O)CCC[NH3+])C[C@H]1n1ccc(=O)[nH]c1=O ZINC000257219056 202953506 /nfs/dbraw/zinc/95/35/06/202953506.db2.gz DFLPRYBGHHFHEN-QMTHXVAHSA-N 1 0 310.354 -0.788 40 0 DBABRO CCn1ncc(S(=O)(=O)N2CC[C@](O)(C[NH+](C)C)C2)c1C ZINC000257270597 203000639 /nfs/dbraw/zinc/00/06/39/203000639.db2.gz MUWKUTHTCNILIB-ZDUSSCGKSA-N 1 0 316.427 -0.101 40 0 DBABRO Cc1nc(C2CC[NH+]([C@H]3COC[C@@H]3O)CC2)ncc1C(N)=O ZINC000257276841 203006767 /nfs/dbraw/zinc/00/67/67/203006767.db2.gz NVJBTTLXDBRJEB-STQMWFEESA-N 1 0 306.366 -0.177 40 0 DBABRO C[N@@H+]1CCCN(C(=O)[C@@]2(C)CN(S(C)(=O)=O)CCO2)CC1 ZINC000257282592 203011397 /nfs/dbraw/zinc/01/13/97/203011397.db2.gz OUKKYQRFRZCJQI-CYBMUJFWSA-N 1 0 319.427 -0.799 40 0 DBABRO O=C([C@H]1CCS(=O)(=O)C1)N1CC[C@](O)(C[NH+]2CCCC2)C1 ZINC000257323563 203048384 /nfs/dbraw/zinc/04/83/84/203048384.db2.gz WKXIYEDWYBNQLU-JSGCOSHPSA-N 1 0 316.423 -0.520 40 0 DBABRO CC(C)([NH3+])C(=O)N1CCC2(Cc3c(nc(N)nc3N)O2)CC1 ZINC000257336774 203058463 /nfs/dbraw/zinc/05/84/63/203058463.db2.gz YPZIBEPBJXTTFA-UHFFFAOYSA-N 1 0 306.370 -0.326 40 0 DBABRO O=C(N[C@@H]1C[N@@H+](CC2(O)CCCCC2)C[C@H]1O)c1ccn[nH]1 ZINC000257281757 284123711 /nfs/dbraw/zinc/12/37/11/284123711.db2.gz OQWBLZZOMCCPEV-CHWSQXEVSA-N 1 0 308.382 -0.120 40 0 DBABRO CC(C)[NH+]1CCN(C(=O)C2=CCN(S(C)(=O)=O)C2)CC1 ZINC000019447975 182123636 /nfs/dbraw/zinc/12/36/36/182123636.db2.gz YUYSVDIZZAAYAD-UHFFFAOYSA-N 1 0 301.412 -0.259 40 0 DBABRO O=C1C=CC(=O)N1CCC[n+]1cccc(N2C(=O)C=CC2=O)c1 ZINC000001679114 374241331 /nfs/dbraw/zinc/24/13/31/374241331.db2.gz YXPCFAKVPVUYQO-UHFFFAOYSA-N 1 0 312.305 -0.281 40 0 DBABRO O=C(NC1CC1)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CO)nn1 ZINC000008298539 374295168 /nfs/dbraw/zinc/29/51/68/374295168.db2.gz ALAAMLURECZPNW-HONMWMINSA-N 1 0 305.382 -0.241 40 0 biogenic,in-vitro DBABRO C/C=C/C(=O)N1CCC(C[N@H+](C)[C@@H]2COC[C@@H](O)[C@H]2O)CC1 ZINC000585287912 374880232 /nfs/dbraw/zinc/88/02/32/374880232.db2.gz HFZQTRMDCOYFNN-RBUHOSLGSA-N 1 0 312.410 -0.147 40 0 DBABRO O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@H+]2CCO)c1cnccn1 ZINC000096082683 374845284 /nfs/dbraw/zinc/84/52/84/374845284.db2.gz LCMSIKARFLRFHR-IACUBPJLSA-N 1 0 306.366 -0.322 40 0 DBABRO CNC(=O)CN1CCOCC12CC[NH+](Cc1c[nH]cn1)CC2 ZINC000096074661 374846446 /nfs/dbraw/zinc/84/64/46/374846446.db2.gz KHOYAIFHCBKCOE-UHFFFAOYSA-N 1 0 307.398 -0.178 40 0 DBABRO O=C(NC[C@@H]1CC[C@H]2[C@@H]1OCC[N@H+]2CCO)c1cnccn1 ZINC000096082685 374846530 /nfs/dbraw/zinc/84/65/30/374846530.db2.gz LCMSIKARFLRFHR-FPMFFAJLSA-N 1 0 306.366 -0.322 40 0 DBABRO CCS(=O)(=O)N1C[C@@H]2[C@H](C1)OCCN2CC[NH+]1CCCC1 ZINC000096054394 374846733 /nfs/dbraw/zinc/84/67/33/374846733.db2.gz UKXPJSOXKNALDC-KGLIPLIRSA-N 1 0 317.455 -0.183 40 0 DBABRO CCS(=O)(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC000096056483 374846846 /nfs/dbraw/zinc/84/68/46/374846846.db2.gz VEMBARWTUKNOEH-VXGBXAGGSA-N 1 0 303.428 -0.037 40 0 DBABRO CN(C)S(=O)(=O)N1C[C@@H]2C[N@H+](CC3CC3)CCO[C@@H]2C1 ZINC000096107990 374849340 /nfs/dbraw/zinc/84/93/40/374849340.db2.gz BUMXTKDCPAHXCF-QWHCGFSZSA-N 1 0 303.428 -0.165 40 0 DBABRO CC(=O)N1C[C@@H]2COCCN2C2(C[NH+](C3CCOCC3)C2)C1 ZINC000604381792 376620176 /nfs/dbraw/zinc/62/01/76/376620176.db2.gz OSGDPMSTNVZRKG-OAHLLOKOSA-N 1 0 309.410 -0.217 40 0 biogenic,in-vitro DBABRO COCC(=O)N1C[C@@H]2COCCN2C2(C[NH+](CC(C)C)C2)C1 ZINC000604381753 376620676 /nfs/dbraw/zinc/62/06/76/376620676.db2.gz MTVVEFMJBNDASW-CQSZACIVSA-N 1 0 311.426 -0.114 40 0 biogenic,in-vitro DBABRO CN1CC[NH+](C[C@@]2(O)CCN(C(=O)Cc3cccnc3)C2)CC1 ZINC000257213018 377235427 /nfs/dbraw/zinc/23/54/27/377235427.db2.gz CFWSNAPQHJSVSE-KRWDZBQOSA-N 1 0 318.421 -0.165 40 0 DBABRO CNc1cc(N2CCC[C@](O)(CN(C)C(=O)C[NH3+])C2)ncn1 ZINC000257243319 377238455 /nfs/dbraw/zinc/23/84/55/377238455.db2.gz IGJUVEVYOKRPFE-AWEZNQCLSA-N 1 0 308.386 -0.733 40 0 DBABRO CNC(=O)[C@@H]1CN(C(=O)CCc2cc(OC)no2)CC[N@H+](C)C1 ZINC000257270940 377243243 /nfs/dbraw/zinc/24/32/43/377243243.db2.gz MWGHPBHJGDUGBW-NSHDSACASA-N 1 0 324.381 -0.248 40 0 DBABRO NS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCS(=O)(=O)C2)cc1 ZINC000040177493 183044149 /nfs/dbraw/zinc/04/41/49/183044149.db2.gz WEELAFSLHDKULH-LLVKDONJSA-N 1 0 318.420 -0.347 40 0 DBABRO Cc1ccc(C[NH2+][C@@H]2CO[C@H](CNS(C)(=O)=O)[C@H]2O)cc1 ZINC000077264524 379829011 /nfs/dbraw/zinc/82/90/11/379829011.db2.gz KUEOHQTYQGYWKE-MCIONIFRSA-N 1 0 314.407 -0.238 40 0 biogenic,in-vitro DBABRO CC(C)NC(=O)C[C@@H]1O[C@H](C[NH2+]Cc2ccccn2)[C@@H](O)[C@H]1O ZINC000008627191 382664575 /nfs/dbraw/zinc/66/45/75/382664575.db2.gz IZGLJFGRSOUIAV-LQKXBSAESA-N 1 0 323.393 -0.425 40 0 biogenic,in-vitro DBABRO CC(C)[C@](O)(C(=O)OC[C@@H]1CC[N@@H+]2CC[C@@H](O)[C@H]12)[C@@H](C)O ZINC000005733288 392357945 /nfs/dbraw/zinc/35/79/45/392357945.db2.gz NMPPLGMVCCNRTJ-GEJOOGBSSA-N 1 0 301.383 -0.247 40 0 DBABRO CNC(=O)C[N@@H+]1CC[C@@H](n2cnc3c2ncnc3N)[C@](C)(O)C1 ZINC000257286104 392898018 /nfs/dbraw/zinc/89/80/18/392898018.db2.gz PKHGSQRYVZWPGN-YMTOWFKASA-N 1 0 319.369 -0.848 40 0 DBABRO COCC(=O)N1Cc2nccn2C[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000096067033 292179030 /nfs/dbraw/zinc/17/90/30/292179030.db2.gz OJASVLVAJDRAMK-AWEZNQCLSA-N 1 0 321.425 -0.265 40 0 DBABRO CCCn1c(N2CC[NH2+]CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000062720569 273624784 /nfs/dbraw/zinc/62/47/84/273624784.db2.gz GVNPVLAPNKBLRT-UHFFFAOYSA-N 1 0 306.370 -0.747 40 0 DBABRO CC(=O)NCC(=O)N1CC[C@@](O)(C[NH+]2CCC(F)(F)CC2)C1 ZINC000257335970 277027240 /nfs/dbraw/zinc/02/72/40/277027240.db2.gz YMPYKACVDGIMPA-CYBMUJFWSA-N 1 0 319.352 -0.183 40 0 DBABRO C[NH2+]CC(=O)N[C@H]1CCN2C(=O)c3ccccc3NC(=O)[C@@H]2C1 ZINC000004222228 277264647 /nfs/dbraw/zinc/26/46/47/277264647.db2.gz KASHXXMGQKMNLW-GWCFXTLKSA-N 1 0 316.361 -0.053 40 0 biogenic,in-vitro DBABRO C[NH+](C)CCN1CCO[C@H]2CN(S(=O)(=O)C3CC3)C[C@H]21 ZINC000096054315 289156576 /nfs/dbraw/zinc/15/65/76/289156576.db2.gz YAEHNSZPZFZCLH-OLZOCXBDSA-N 1 0 303.428 -0.575 40 0 DBABRO CN1CCO[C@@](C)(C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000072379342 563503839 /nfs/dbraw/zinc/50/38/39/563503839.db2.gz HXOFIERGKGMEML-OAHLLOKOSA-N 1 0 305.382 -0.154 40 0 DBABRO O[C@@H]1[C@@H](n2ccnc2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1cncnc1 ZINC000952844831 809005959 /nfs/dbraw/zinc/00/59/59/809005959.db2.gz MLKVEALCYVMQPE-XGFWRYKXSA-N 1 0 303.322 -0.511 40 0 biogenic,in-vitro DBABRO CN1CCC([NH2+][C@@H]2[C@H]3CO[C@H](O3)[C@H](n3ccnc3)[C@H]2O)CC1 ZINC000952844893 809006369 /nfs/dbraw/zinc/00/63/69/809006369.db2.gz RMACTMYNCSPJNF-ARILJUKYSA-N 1 0 308.382 -0.407 40 0 biogenic,in-vitro DBABRO COCc1cn(C[C@H]2OC[C@H](O)[C@H]2[NH2+]Cc2cccnc2)nn1 ZINC001549159258 1015706048 /nfs/dbraw/zinc/70/60/48/1015706048.db2.gz XFSCAGBAWAFRKD-RRFJBIMHSA-N 1 0 319.365 -0.262 40 0 DBABRO Cc1noc(C)c1C[NH2+][C@@H]1[C@@H](O)CO[C@@H]1Cn1cc(CO)nn1 ZINC001549162696 1015706666 /nfs/dbraw/zinc/70/66/66/1015706666.db2.gz VKCHBTKLKJSDRF-BFHYXJOUSA-N 1 0 323.353 -0.707 40 0 DBABRO C[N@@H+]1CCN(C(=O)Cn2cnc3ccccc32)C[C@H](C(N)=O)C1 ZINC000257275182 203004002 /nfs/dbraw/zinc/00/40/02/203004002.db2.gz NOGOFBAOOPAQSY-GFCCVEGCSA-N 1 0 315.377 -0.088 40 0 DBABRO Cc1nc(C)c(CC(=O)N2[C@@H](CC(N)=O)CC[C@H]2C[NH3+])c(=O)[nH]1 ZINC000257297465 203020398 /nfs/dbraw/zinc/02/03/98/203020398.db2.gz RHIQYSQYTDMYTJ-MNOVXSKESA-N 1 0 321.381 -0.465 40 0 DBABRO O=C([C@@H]1CCS(=O)(=O)C1)N1CC[C@](O)(C[NH+]2CCCC2)C1 ZINC000257323564 203048214 /nfs/dbraw/zinc/04/82/14/203048214.db2.gz WKXIYEDWYBNQLU-OCCSQVGLSA-N 1 0 316.423 -0.520 40 0 DBABRO CS(=O)(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C(N)=O)C1 ZINC000257336465 203058708 /nfs/dbraw/zinc/05/87/08/203058708.db2.gz YONXKRCQQHCSIX-CYBMUJFWSA-N 1 0 311.407 -0.135 40 0 DBABRO COC(=O)[C@@H]1C([O-])=NC(N2CC[NH+](C)CC2)=[NH+][C@H]1c1ccco1 ZINC000019818128 182153366 /nfs/dbraw/zinc/15/33/66/182153366.db2.gz IBVCFWSBQAFPDR-RYUDHWBXSA-N 1 0 320.349 -0.157 40 0 DBABRO COC(=O)C[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)OC ZINC000036533059 374476622 /nfs/dbraw/zinc/47/66/22/374476622.db2.gz CCKAUXJBOBDHLB-RYUDHWBXSA-N 1 0 308.334 -0.223 40 0 DBABRO O=C1N(Cc2cncs2)C[C@]12CCC[N@@H+](C[C@H](O)CO)C2 ZINC000585099642 374743306 /nfs/dbraw/zinc/74/33/06/374743306.db2.gz UFWAFJMAJZRJTQ-SMDDNHRTSA-N 1 0 311.407 -0.079 40 0 DBABRO CN(C)C(=O)COC[C@]12COC[C@H]1C[N@H+](Cc1cnn(C)c1)C2 ZINC000096108692 374848149 /nfs/dbraw/zinc/84/81/49/374848149.db2.gz YZZYPWHTSSDPGT-ZBFHGGJFSA-N 1 0 322.409 -0.027 40 0 DBABRO OCC[N@@H+]1CCOC[C@@]2(C[C@@H](CNc3ncccn3)CO2)C1 ZINC000096240683 374852965 /nfs/dbraw/zinc/85/29/65/374852965.db2.gz WXAKWHPKQKKQDG-DZGCQCFKSA-N 1 0 308.382 -0.012 40 0 DBABRO CC(C)OCCCNC(=O)C(=O)NCCCN1CCOCC1 ZINC000170369956 375165170 /nfs/dbraw/zinc/16/51/70/375165170.db2.gz BKUQJABCRVFPRU-UHFFFAOYSA-N 1 0 315.414 -0.244 40 0 DBABRO O=C(NC[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2CCO)c1cnccn1 ZINC000247766678 377137702 /nfs/dbraw/zinc/13/77/02/377137702.db2.gz LCMSIKARFLRFHR-UBHSHLNASA-N 1 0 306.366 -0.322 40 0 DBABRO CN1CC[NH+](C[C@]2(O)CCN(C(=O)Cc3cccnc3)C2)CC1 ZINC000257213019 377235875 /nfs/dbraw/zinc/23/58/75/377235875.db2.gz CFWSNAPQHJSVSE-QGZVFWFLSA-N 1 0 318.421 -0.165 40 0 DBABRO COc1cc(C(=O)N2C[C@@H](O)[C@H]([NH+]3CCCC3)C2)nc(OC)n1 ZINC000257251844 377239985 /nfs/dbraw/zinc/23/99/85/377239985.db2.gz JSMHZOGMNMEMKV-VXGBXAGGSA-N 1 0 322.365 -0.225 40 0 DBABRO CCc1noc(CCC(=O)N2CC[N@H+](C)C[C@@H](C(=O)NC)C2)n1 ZINC000257265881 377244265 /nfs/dbraw/zinc/24/42/65/377244265.db2.gz MASSTXYXVVFUFU-LLVKDONJSA-N 1 0 323.397 -0.299 40 0 DBABRO CS(=O)(=O)NC[C@H]1OC[C@@H]([NH2+]Cc2ccccc2)[C@@H]1O ZINC000077264519 379829238 /nfs/dbraw/zinc/82/92/38/379829238.db2.gz QGSZSNYTURXCME-UPJWGTAASA-N 1 0 300.380 -0.546 40 0 biogenic,in-vitro DBABRO COCC(=O)NC[C@H]1OC[C@@H]([NH2+]Cc2ccc(C)cc2)[C@@H]1O ZINC000096111595 382606773 /nfs/dbraw/zinc/60/67/73/382606773.db2.gz MXIIOEKZAYMDBH-FMKPAKJESA-N 1 0 308.378 -0.024 40 0 biogenic,in-vitro DBABRO C[NH+]1CCN(C[C@@H]2OC[C@H](NC(=O)c3ccccc3)[C@H]2O)CC1 ZINC000514288383 257216685 /nfs/dbraw/zinc/21/66/85/257216685.db2.gz BXYVRCKWLREXTD-HRCADAONSA-N 1 0 319.405 -0.208 40 0 biogenic,in-vitro DBABRO CN(C)c1cn[nH+]c(N2CCN(S(=O)(=O)N(C)C)CC2)c1 ZINC000224316230 257232989 /nfs/dbraw/zinc/23/29/89/257232989.db2.gz NORVSQVAIXPDNC-UHFFFAOYSA-N 1 0 314.415 -0.529 40 0 DBABRO CN1c2ccccc2[C@@]2(N=C(N3CCOCC3)NC(=[NH2+])N2)C1=O ZINC000019330821 392806719 /nfs/dbraw/zinc/80/67/19/392806719.db2.gz WGPBDFZPEMUBCT-OAHLLOKOSA-N 1 0 314.349 -0.578 40 0 DBABRO CO[C@H]1O[C@H](C[NH3+])[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000095869860 294682307 /nfs/dbraw/zinc/68/23/07/294682307.db2.gz VYDBDCQBZQQWCJ-LBELIVKGSA-N 1 0 319.310 -0.889 40 0 DBABRO O=C(CN1C(=O)CNC1=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257269070 295492583 /nfs/dbraw/zinc/49/25/83/295492583.db2.gz MOLGVEBQALBHDJ-LBPRGKRZSA-N 1 0 302.334 -0.289 40 0 DBABRO COc1cc(CNCC[NH2+]C[C@H](C)O)ccc1OCC(N)=O ZINC000022075339 533875293 /nfs/dbraw/zinc/87/52/93/533875293.db2.gz HVECMGCXQCZMTO-NSHDSACASA-N 1 0 311.382 -0.381 40 0 DBABRO O=C(NC1CC1)[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2Cn1cc(CCO)nn1 ZINC000008298458 565092351 /nfs/dbraw/zinc/09/23/51/565092351.db2.gz MEKSMQHNROYIMZ-GLQYFDAESA-N 1 0 319.409 -0.198 40 0 biogenic,in-vitro DBABRO Cc1noc(C)c1C[NH2+][C@@H]1[C@H]2CO[C@H](O2)[C@H](n2cncn2)[C@H]1O ZINC000952844613 809006585 /nfs/dbraw/zinc/00/65/85/809006585.db2.gz AMGUNIXYSUXJLU-XGFWRYKXSA-N 1 0 321.337 -0.302 40 0 biogenic,in-vitro DBABRO COC(=O)SCC(NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)[O-] ZINC001560407451 1024004779 /nfs/dbraw/zinc/00/47/79/1024004779.db2.gz BAERVCZACZFTRW-ZETCQYMHSA-N 1 0 306.364 -0.325 40 0 DBABRO C[NH+](C)CCCO[C@H]1[C@@H]([C@@H](O)CO)O[C@H]2OC(C)(C)O[C@H]12 ZINC000004175653 282087930 /nfs/dbraw/zinc/08/79/30/282087930.db2.gz YXBQLONCIPUQKO-OFTGVCEQSA-N 1 0 305.371 -0.447 40 0 in-vitro DBABRO Cc1cc(CCC(=O)NCC(N)=O)nc([C@H]2CCC[NH2+]C2)n1 ZINC000072366925 191136973 /nfs/dbraw/zinc/13/69/73/191136973.db2.gz ZBVBFHBEFVPPRF-NSHDSACASA-N 1 0 305.382 -0.214 40 0 DBABRO Cc1c(CCC(=O)N2CC[N@H+](C)C[C@@H](C(N)=O)C2)cnn1C ZINC000257273869 203002673 /nfs/dbraw/zinc/00/26/73/203002673.db2.gz NIOAZYLSEWKGQN-CYBMUJFWSA-N 1 0 307.398 -0.463 40 0 DBABRO CC(=O)NC1CC[NH+](C[C@@]2(O)CCN(C(=O)C3CC3)C2)CC1 ZINC000257296213 203021606 /nfs/dbraw/zinc/02/16/06/203021606.db2.gz RBTBEAIHCKNACT-INIZCTEOSA-N 1 0 309.410 -0.040 40 0 DBABRO C[C@@]1(O)CN(C(=O)CC[NH3+])CC[C@H]1n1cnc2c1ncnc2N ZINC000257286067 203013674 /nfs/dbraw/zinc/01/36/74/203013674.db2.gz PKAUYEAKLLTBHT-YMTOWFKASA-N 1 0 319.369 -0.718 40 0 DBABRO COc1cc(CCC(=O)N2CC[N@H+](C)C[C@@H](C(N)=O)C2)on1 ZINC000257336944 203057963 /nfs/dbraw/zinc/05/79/63/203057963.db2.gz YQRVDXMXSUTSSY-SNVBAGLBSA-N 1 0 310.354 -0.509 40 0 DBABRO C[NH+](C)C[C@@]1(O)CCN(C(=O)Cn2nc3ccccc3n2)C1 ZINC000257341861 203064521 /nfs/dbraw/zinc/06/45/21/203064521.db2.gz ZMFJVYJNQIGURH-HNNXBMFYSA-N 1 0 303.366 -0.044 40 0 DBABRO COCC(=O)N1CC2(C[C@]1(C)CO)CC[NH+](CC(N)=O)CC2 ZINC000257341901 203064619 /nfs/dbraw/zinc/06/46/19/203064619.db2.gz ZMJKWKJIGFRFDV-CQSZACIVSA-N 1 0 313.398 -0.816 40 0 DBABRO CC(=O)NC[C@]1(O)CC[N@H+](CCOc2ccccc2)C[C@H]1O ZINC000257342235 203064780 /nfs/dbraw/zinc/06/47/80/203064780.db2.gz ZNSARCYJCAXGGL-HZPDHXFCSA-N 1 0 308.378 -0.001 40 0 DBABRO C[NH+](C)C[C@]1(O)CCN(C(=O)Cn2nc3ccccc3n2)C1 ZINC000257341862 203064988 /nfs/dbraw/zinc/06/49/88/203064988.db2.gz ZMFJVYJNQIGURH-OAHLLOKOSA-N 1 0 303.366 -0.044 40 0 DBABRO CCCN(C)[C@H]1[C@@H](C[NH2+]C2CCOCC2)O[C@@H](CO)[C@H]1O ZINC000020465669 182220756 /nfs/dbraw/zinc/22/07/56/182220756.db2.gz GUHMUKXFBBHPMB-CBBWQLFWSA-N 1 0 302.415 -0.414 40 0 biogenic,in-vitro DBABRO CSc1nc(N)nc2c1ncn2CC[NH+](CCO)CCO ZINC000001644017 374241847 /nfs/dbraw/zinc/24/18/47/374241847.db2.gz UEMMRCXVJTZSHS-UHFFFAOYSA-N 1 0 312.399 -0.583 40 0 DBABRO Cc1nc2ccccc2n1CC(=O)N(C)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585285515 374876685 /nfs/dbraw/zinc/87/66/85/374876685.db2.gz FBZSNRHZFTXVEW-FMKPAKJESA-N 1 0 319.361 -0.076 40 0 DBABRO O=C(CN[C@@H]1COC[C@@H](O)[C@H]1O)N1CCCc2ccccc21 ZINC000585285967 374876989 /nfs/dbraw/zinc/87/69/89/374876989.db2.gz GMNKGRKUOKNCNT-XPKDYRNWSA-N 1 0 306.362 -0.324 40 0 DBABRO Cn1cc(C[NH+]2CCC3(CC2)C(=O)N(CCO)CCN3C)cn1 ZINC000096050078 374845783 /nfs/dbraw/zinc/84/57/83/374845783.db2.gz BAPHQCYSTRGNHY-UHFFFAOYSA-N 1 0 321.425 -0.479 40 0 DBABRO CN(C)C(=O)N1Cc2nnn(C)c2[C@@H](COCC[NH+](C)C)C1 ZINC000096060690 374846169 /nfs/dbraw/zinc/84/61/69/374846169.db2.gz HYUYWNPZQDRFTP-LLVKDONJSA-N 1 0 310.402 -0.026 40 0 DBABRO COCCNC(=O)[C@H]1C[C@H]2[C@H](CC[N@@H+]2Cc2cnn(C)c2)O1 ZINC000096183612 374849448 /nfs/dbraw/zinc/84/94/48/374849448.db2.gz GSHHVOOERPSUIF-MELADBBJSA-N 1 0 308.382 -0.086 40 0 DBABRO COCCNC(=O)[C@]12COC[C@H]1C[N@H+](Cc1cnn(C)c1)C2 ZINC000096206309 374850486 /nfs/dbraw/zinc/85/04/86/374850486.db2.gz AKKMEMSDOOFTRP-UKRRQHHQSA-N 1 0 308.382 -0.369 40 0 DBABRO Cn1cc(C[N@@H+]2C[C@H]3OC[C@H](C(=O)N4CCOCC4)[C@H]3C2)cn1 ZINC000096215439 374851380 /nfs/dbraw/zinc/85/13/80/374851380.db2.gz LTQAJGXZAXBYKC-QLFBSQMISA-N 1 0 320.393 -0.274 40 0 DBABRO Cn1cnc(S(=O)(=O)N2CCOC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000096201930 374851971 /nfs/dbraw/zinc/85/19/71/374851971.db2.gz WCPXQEHPOZLFDE-CYBMUJFWSA-N 1 0 314.411 -0.237 40 0 DBABRO CNC(=O)[C@]1(C)C[N@H+](CC2(O)CCN(C(C)=O)CC2)CCO1 ZINC000585263389 374858736 /nfs/dbraw/zinc/85/87/36/374858736.db2.gz YEXVFSBEPOUYOX-AWEZNQCLSA-N 1 0 313.398 -0.803 40 0 DBABRO [NH3+]CCCC(=O)N1CCOCCOCCOCCOCC1 ZINC000039988485 376648982 /nfs/dbraw/zinc/64/89/82/376648982.db2.gz WRJPUGULUKZNDM-UHFFFAOYSA-N 1 0 304.387 -0.366 40 0 DBABRO O=S(=O)(N1CCCC1)N1CC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000257206099 377234648 /nfs/dbraw/zinc/23/46/48/377234648.db2.gz BBVOMMQUBUMWEN-CYBMUJFWSA-N 1 0 303.428 -0.140 40 0 DBABRO COCC(=O)N1CC[C@](O)(C[NH+]2CCC(NC(C)=O)CC2)C1 ZINC000257220329 377236580 /nfs/dbraw/zinc/23/65/80/377236580.db2.gz DKKHCIKBEYMTGX-HNNXBMFYSA-N 1 0 313.398 -0.803 40 0 DBABRO CC(=O)NCCNC(=O)[C@@H]1CN(c2ccc(F)cc2)CC[NH2+]1 ZINC000257240699 377238021 /nfs/dbraw/zinc/23/80/21/377238021.db2.gz HUSWATQOZJBYOO-AWEZNQCLSA-N 1 0 308.357 -0.144 40 0 DBABRO CS(=O)(=O)NC[C@]1(O)CC[N@@H+](C2CCCCC2)C[C@H]1O ZINC000257249521 377240663 /nfs/dbraw/zinc/24/06/63/377240663.db2.gz JISXPSWBFLFYNZ-CHWSQXEVSA-N 1 0 306.428 -0.334 40 0 DBABRO NC(=O)[C@H]1CN(C(=O)c2ccno2)CC[N@@H+](C2CCOCC2)C1 ZINC000257244168 377241567 /nfs/dbraw/zinc/24/15/67/377241567.db2.gz IKEOJPRHUUSXGQ-LLVKDONJSA-N 1 0 322.365 -0.287 40 0 DBABRO C[N@@H+]1CCN(C(=O)CN2CCCCCC2=O)C[C@@H](C(N)=O)C1 ZINC000257280793 377244189 /nfs/dbraw/zinc/24/41/89/377244189.db2.gz OMLPNHJJAWIXRG-LBPRGKRZSA-N 1 0 310.398 -0.736 40 0 DBABRO CC[NH+]1CCC(N2C[C@@H](O)[C@H](NC(=O)c3cnc[nH]3)C2)CC1 ZINC000257268539 377244698 /nfs/dbraw/zinc/24/46/98/377244698.db2.gz MMDZILOSIHVKMW-ZIAGYGMSSA-N 1 0 307.398 -0.331 40 0 DBABRO O=C(NC[C@H]1OC[C@@H](NC2CC[NH2+]CC2)[C@@H]1O)C1CCCC1 ZINC000077264022 379829325 /nfs/dbraw/zinc/82/93/25/379829325.db2.gz RNGYPTBSYVPBHU-KFWWJZLASA-N 1 0 311.426 -0.237 40 0 biogenic,in-vitro DBABRO CC(=O)N1C[C@@H]2C[N@@H+](C3CCOCC3)CCN2[C@](C)(CO)C1 ZINC000514288334 257216073 /nfs/dbraw/zinc/21/60/73/257216073.db2.gz LXZYCZRXWIBDJB-HOTGVXAUSA-N 1 0 311.426 -0.235 40 0 biogenic,in-vitro DBABRO COC[C@H]1CCC[N@@H+]1C[C@@H]1OC[C@H](NCc2nccn2C)[C@H]1O ZINC000514288749 257216082 /nfs/dbraw/zinc/21/60/82/257216082.db2.gz BRIWQFVZXFZKIO-ORIJERBGSA-N 1 0 324.425 -0.251 40 0 biogenic,in-vitro DBABRO CC(C)Cn1c2c(nc1N1CC[NH2+]CC1)n(C)c(=O)n(C)c2=O ZINC000062720578 392138368 /nfs/dbraw/zinc/13/83/68/392138368.db2.gz LBCICIVUXQWZKG-UHFFFAOYSA-N 1 0 320.397 -0.501 40 0 DBABRO C[NH2+]CC(=O)N1CCN2C(=O)c3ccccc3NC(=O)[C@@H]2C1 ZINC000004222702 392161870 /nfs/dbraw/zinc/16/18/70/392161870.db2.gz HCZHVYBIHYRBBZ-LBPRGKRZSA-N 1 0 302.334 -0.489 40 0 biogenic,in-vitro DBABRO Cc1c(C)n2c(nc3c2c(=O)n(C)c(=O)n3C)n1CCC[NH3+] ZINC000033542433 392413497 /nfs/dbraw/zinc/41/34/97/392413497.db2.gz DLAGNCUJVZIYFW-UHFFFAOYSA-N 1 0 304.354 -0.348 40 0 DBABRO [NH2+]=C1NC(N2CCOCC2)=N[C@@]2(N1)c1ccccc1NC2=O ZINC000019332728 392807278 /nfs/dbraw/zinc/80/72/78/392807278.db2.gz PNKFEWKDZKZHEA-AWEZNQCLSA-N 1 0 300.322 -0.602 40 0 DBABRO O=C(COC[C@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CCCC1 ZINC000247747083 392886289 /nfs/dbraw/zinc/88/62/89/392886289.db2.gz SCVNBGUZMNAOAU-LLVKDONJSA-N 1 0 302.396 -0.598 40 0 DBABRO CNC(=O)[C@@H]1CN(C(=O)Cn2nc(C)cc2C)CC[N@H+](C)C1 ZINC000257199682 392895661 /nfs/dbraw/zinc/89/56/61/392895661.db2.gz AALUICRNBHLKTI-ZDUSSCGKSA-N 1 0 307.398 -0.364 40 0 DBABRO C[N@@H+]1CCCN(C(=O)[C@]2(C)CN(S(C)(=O)=O)CCO2)CC1 ZINC000257282593 392897363 /nfs/dbraw/zinc/89/73/63/392897363.db2.gz OUKKYQRFRZCJQI-ZDUSSCGKSA-N 1 0 319.427 -0.799 40 0 DBABRO COc1nc(OC)nc(N2CC[C@](O)(C[NH+]3CCCC3)C2)n1 ZINC000257271351 392898226 /nfs/dbraw/zinc/89/82/26/392898226.db2.gz MXYNIFRPYSXPBX-AWEZNQCLSA-N 1 0 309.370 -0.074 40 0 DBABRO CCOC[C@@H]1CCS(=O)(=O)C12CN(C(=O)CC[NH+](C)C)C2 ZINC000306125724 286153189 /nfs/dbraw/zinc/15/31/89/286153189.db2.gz CZWQFVJEIDSDQH-LBPRGKRZSA-N 1 0 318.439 -0.010 40 0 DBABRO CNC(=O)[C@@H]1CN(C(=O)C2CCN(C(C)=O)CC2)CC[N@H+](C)C1 ZINC000257245358 277013778 /nfs/dbraw/zinc/01/37/78/277013778.db2.gz IPCZNQWQVFGWPJ-AWEZNQCLSA-N 1 0 324.425 -0.619 40 0 DBABRO CNC(=O)[C@@]1(C)CN(C2CCN(S(C)(=O)=O)CC2)CCO1 ZINC000072379568 563503744 /nfs/dbraw/zinc/50/37/44/563503744.db2.gz FBJNGJCEDJGNLC-CYBMUJFWSA-N 1 0 319.427 -0.753 40 0 DBABRO Cn1c2nc(N)n(CC[NH+]3CCCCC3)c2c(=O)n(C)c1=O ZINC000002437697 190616199 /nfs/dbraw/zinc/61/61/99/190616199.db2.gz WTVSXVRZURSXBC-UHFFFAOYSA-N 1 0 306.370 -0.498 40 0 DBABRO CC(C)[C@](O)(C(=O)OC[C@@H]1CC[N@@H+]2CC[C@@H](O)[C@H]12)[C@H](C)O ZINC000005733293 181278891 /nfs/dbraw/zinc/27/88/91/181278891.db2.gz NMPPLGMVCCNRTJ-DKBOKBLXSA-N 1 0 301.383 -0.247 40 0 DBABRO CN(C(=O)CC[NH3+])[C@H]1CC[C@H](n2cnc3c2ncnc3N)[C@H]1O ZINC000257278631 203006045 /nfs/dbraw/zinc/00/60/45/203006045.db2.gz OCZMTWQVAOPNDK-AUTRQRHGSA-N 1 0 319.369 -0.720 40 0 DBABRO Cc1nc(C2CC[NH+]([C@@H]3COC[C@@H]3O)CC2)ncc1C(N)=O ZINC000257276839 203007100 /nfs/dbraw/zinc/00/71/00/203007100.db2.gz NVJBTTLXDBRJEB-OLZOCXBDSA-N 1 0 306.366 -0.177 40 0 DBABRO CC(C)NC(=O)NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCCC1 ZINC000020465030 182220770 /nfs/dbraw/zinc/22/07/70/182220770.db2.gz SBQDVJDBVPOQPH-MROQNXINSA-N 1 0 301.387 -0.721 40 0 biogenic,in-vitro DBABRO COCCN[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]Cc2ccccc2)[C@@H]1O ZINC000020463784 182221078 /nfs/dbraw/zinc/22/10/78/182221078.db2.gz KTRIJBHKQFSWJE-DGXTUMSLSA-N 1 0 308.378 -0.135 40 0 biogenic,in-vitro DBABRO NC(=[NH2+])NCCC[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O ZINC000001583501 374241136 /nfs/dbraw/zinc/24/11/36/374241136.db2.gz VFPZSTOWKCRDSF-VXGBXAGGSA-N 1 0 319.365 -0.819 40 0 DBABRO Cn1c2ncn(CC[NH2+]Cc3cccnc3)c2c(=O)n(C)c1=O ZINC000002020030 374245993 /nfs/dbraw/zinc/24/59/93/374245993.db2.gz CDHVRXOLGDSJGX-UHFFFAOYSA-N 1 0 314.349 -0.382 40 0 in-man DBABRO CC(C)N(C)C(=O)C1=NO[C@@]2(C1)CCC[N@H+](C[C@H](O)CO)C2 ZINC000585101099 374743467 /nfs/dbraw/zinc/74/34/67/374743467.db2.gz DIFCDSXQCXXEKN-SWLSCSKDSA-N 1 0 313.398 -0.183 40 0 DBABRO CS(=O)(=O)NC[C@@H]1CN(C2CCOCC2)Cc2ccnn21 ZINC000585111412 374743934 /nfs/dbraw/zinc/74/39/34/374743934.db2.gz AEVWQKBPRPGUBP-CYBMUJFWSA-N 1 0 314.411 -0.032 40 0 DBABRO CO[C@H]1CN(C(=O)CN(C)Cc2cccnc2)C[C@@H]1CC(N)=O ZINC000585278604 374871564 /nfs/dbraw/zinc/87/15/64/374871564.db2.gz PHXGFEUWYIGEPY-KBPBESRZSA-N 1 0 320.393 -0.138 40 0 DBABRO CN(C(=O)Cc1cn2ccccc2n1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585285632 374877159 /nfs/dbraw/zinc/87/71/59/374877159.db2.gz FTSFSOLWQABVTI-JMSVASOKSA-N 1 0 305.334 -0.544 40 0 DBABRO CO[C@@H]1COC[C@@H](CNC(=O)CN(C)Cc2cccnc2)[C@@H]1O ZINC000585285922 374877288 /nfs/dbraw/zinc/87/72/88/374877288.db2.gz UDHFGYCINRIHJV-FMKPAKJESA-N 1 0 323.393 -0.348 40 0 DBABRO O=C(c1ccccc1)N1CC[C@H](O)[C@@](O)(CN2CCOCC2)C1 ZINC000585285601 374877656 /nfs/dbraw/zinc/87/76/56/374877656.db2.gz QXLPFDGAAXXCJR-DOTOQJQBSA-N 1 0 320.389 -0.043 40 0 DBABRO O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]C2CC2)C1 ZINC000585290514 374879658 /nfs/dbraw/zinc/87/96/58/374879658.db2.gz BXVMJFFMMBSWHW-KGLIPLIRSA-N 1 0 312.391 -0.465 40 0 DBABRO O=C(CCc1ccccc1)N1CC[C@](O)(C[NH2+]CCO)[C@@H](O)C1 ZINC000585290978 374880497 /nfs/dbraw/zinc/88/04/97/374880497.db2.gz YSRJRZSFUPAZQB-RDJZCZTQSA-N 1 0 322.405 -0.475 40 0 DBABRO C[NH+](C)C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O ZINC000585291201 374882260 /nfs/dbraw/zinc/88/22/60/374882260.db2.gz LOTQVOUYBIKVDJ-OLZOCXBDSA-N 1 0 300.380 -0.656 40 0 DBABRO C[NH+]1CCN(Cc2cn3c(n2)CN(S(C)(=O)=O)CC3)CC1 ZINC000096086869 374848038 /nfs/dbraw/zinc/84/80/38/374848038.db2.gz BVZLFAHSNGTMAY-UHFFFAOYSA-N 1 0 313.427 -0.594 40 0 DBABRO O=C([C@@H]1Cn2ccnc2C2(CC[NH2+]CC2)O1)N1CCOCC1 ZINC000096144809 374848649 /nfs/dbraw/zinc/84/86/49/374848649.db2.gz IIZSFRCCHKRZBI-LBPRGKRZSA-N 1 0 306.366 -0.281 40 0 DBABRO O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCC[N@H+]2CCO)c1cnccn1 ZINC000247766682 377137168 /nfs/dbraw/zinc/13/71/68/377137168.db2.gz LCMSIKARFLRFHR-YUTCNCBUSA-N 1 0 306.366 -0.322 40 0 DBABRO COCCN1CCO[C@H]2CCN(C(=O)c3nccn3C)C[C@@H]21 ZINC000248141223 377138988 /nfs/dbraw/zinc/13/89/88/377138988.db2.gz QFEHFAMBWNLKTN-STQMWFEESA-N 1 0 308.382 -0.018 40 0 DBABRO CN(C)C(=O)C[N@@H+]1C[C@H]2OC[C@H](CNc3ncccn3)[C@H]2C1 ZINC000247975063 377139689 /nfs/dbraw/zinc/13/96/89/377139689.db2.gz IGTJGHBHHTUTMP-YNEHKIRRSA-N 1 0 305.382 -0.077 40 0 DBABRO O=S(=O)(N1CCCC1)N1CC[C@](O)(C[NH+]2CCCC2)C1 ZINC000257206100 377235142 /nfs/dbraw/zinc/23/51/42/377235142.db2.gz BBVOMMQUBUMWEN-ZDUSSCGKSA-N 1 0 303.428 -0.140 40 0 DBABRO CC(=O)N1CCC(C(=O)N2C[C@@H](O)[C@H]([NH+]3CCCC3)C2)CC1 ZINC000257211666 377236262 /nfs/dbraw/zinc/23/62/62/377236262.db2.gz BZUUBPDDXVXQRO-HUUCEWRRSA-N 1 0 309.410 -0.088 40 0 DBABRO CC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[N@H+](C)CCO ZINC000257223781 377238980 /nfs/dbraw/zinc/23/89/80/377238980.db2.gz DYUYXSIABYXRQE-WCVJEAGWSA-N 1 0 308.378 -0.004 40 0 DBABRO CC(=O)NC[C@H]1OC[C@@H]([NH2+]Cc2ccc(NC(C)=O)cc2)[C@@H]1O ZINC000077263814 379829224 /nfs/dbraw/zinc/82/92/24/379829224.db2.gz UBTNIEMKKQGIIR-OAGGEKHMSA-N 1 0 321.377 -0.001 40 0 biogenic,in-vitro DBABRO CN1c2ccccc2[C@]2(N=C(N3CCOCC3)NC(=[NH2+])N2)C1=O ZINC000019330825 392806142 /nfs/dbraw/zinc/80/61/42/392806142.db2.gz WGPBDFZPEMUBCT-HNNXBMFYSA-N 1 0 314.349 -0.578 40 0 DBABRO CCc1noc(CCC(=O)N2CC[N@H+](C)C[C@H](C(N)=O)C2)n1 ZINC000257232011 392895218 /nfs/dbraw/zinc/89/52/18/392895218.db2.gz GIZJGKSUKPNPAJ-JTQLQIEISA-N 1 0 309.370 -0.560 40 0 DBABRO CNC(=O)[C@H]1CN(C(=O)Cn2cc(Cl)cn2)CC[N@H+](C)C1 ZINC000257218321 392895313 /nfs/dbraw/zinc/89/53/13/392895313.db2.gz DCRODWMJPIHVNZ-SNVBAGLBSA-N 1 0 313.789 -0.327 40 0 DBABRO CNC(=O)[C@@H]1CN(C(=O)CCn2ccc(C)n2)CC[N@H+](C)C1 ZINC000257206157 392895465 /nfs/dbraw/zinc/89/54/65/392895465.db2.gz BCCCAKJNSWMSEH-ZDUSSCGKSA-N 1 0 307.398 -0.282 40 0 DBABRO Cc1n[nH]c(C)c1S(=O)(=O)N1[C@@H](CC(N)=O)CC[C@H]1C[NH3+] ZINC000257343628 392897829 /nfs/dbraw/zinc/89/78/29/392897829.db2.gz ZTUJERTYLXIQHF-ZJUUUORDSA-N 1 0 315.399 -0.618 40 0 DBABRO C[NH+](C)CC(=O)N1CCCn2c(Cn3cccn3)nnc2C1 ZINC000096259666 282056310 /nfs/dbraw/zinc/05/63/10/282056310.db2.gz ZQSQTRFEMALFIV-UHFFFAOYSA-N 1 0 303.370 -0.183 40 0 DBABRO C[NH+](C)CCCO[C@H]1[C@@H]([C@H](O)CO)O[C@H]2OC(C)(C)O[C@H]12 ZINC000003983961 289118890 /nfs/dbraw/zinc/11/88/90/289118890.db2.gz YXBQLONCIPUQKO-LBELIVKGSA-N 1 0 305.371 -0.447 40 0 in-vitro DBABRO Nc1nc2c(c(N)n1)C[C@]1(CCN(C(=O)C3CC[NH2+]CC3)C1)O2 ZINC000257218211 295369833 /nfs/dbraw/zinc/36/98/33/295369833.db2.gz DCGQZRSBWQNUET-HNNXBMFYSA-N 1 0 318.381 -0.453 40 0 DBABRO Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CC[NH2+]C2)cs1 ZINC000306135296 534432175 /nfs/dbraw/zinc/43/21/75/534432175.db2.gz OMTKWVBXVQRYRT-AWEZNQCLSA-N 1 0 319.390 -0.147 40 0 DBABRO CNC(=O)[C@]1(C)CN(C2CCN(S(C)(=O)=O)CC2)CCO1 ZINC000072379569 563503467 /nfs/dbraw/zinc/50/34/67/563503467.db2.gz FBJNGJCEDJGNLC-ZDUSSCGKSA-N 1 0 319.427 -0.753 40 0 DBABRO O=C(NC1CC1)[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2Cn1cc(CO)nn1 ZINC000008298536 671809482 /nfs/dbraw/zinc/80/94/82/671809482.db2.gz ALAAMLURECZPNW-GDLCADMTSA-N 1 0 305.382 -0.241 40 0 biogenic,in-vitro DBABRO Cc1cnn([C@H]2[C@@H]3OC[C@@H](O3)[C@@H]([NH2+]Cc3cncnc3)[C@@H]2O)c1 ZINC000952845029 809005909 /nfs/dbraw/zinc/00/59/09/809005909.db2.gz ZFNYTQCIWXVZIA-ARILJUKYSA-N 1 0 317.349 -0.203 40 0 biogenic,in-vitro DBABRO O[C@@H]1[C@@H](n2cccn2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1cncnc1 ZINC000952844998 809006203 /nfs/dbraw/zinc/00/62/03/809006203.db2.gz XYBOFNQOIXWEJQ-XGFWRYKXSA-N 1 0 303.322 -0.511 40 0 biogenic,in-vitro DBABRO O[C@H]1CO[C@H](Cn2cc(C3CC3)nn2)[C@@H]1[NH2+]Cc1cnc[nH]1 ZINC001549160544 1015706574 /nfs/dbraw/zinc/70/65/74/1015706574.db2.gz GPXRECVQRUMFBH-BFHYXJOUSA-N 1 0 304.354 -0.203 40 0 DBABRO