smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)Cn1nnnc1[C@@H](C(C)C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000035310881 204164936 /nfs/dbraw/zinc/16/49/36/204164936.db2.gz LANBPWVUEXRLFD-LJQANCHMSA-N 1 1 386.500 1.751 40 0 GDABMO CC(=O)N1CC[NH+](C[C@H]2C(=O)O[C@@H]3CC4=CCC[C@@H](C)[C@@]4(C)[C@@H](O)[C@@H]32)CC1 ZINC000036369541 204320736 /nfs/dbraw/zinc/32/07/36/204320736.db2.gz CCHVSRKQKHYREL-VCISIXFPSA-N 1 1 376.497 1.436 40 0 GDABMO COc1cccc(C(=O)NCCn2nc([C@@H]3CC[N@@H+](C)C3)c3nccnc32)c1 ZINC000072391615 205342676 /nfs/dbraw/zinc/34/26/76/205342676.db2.gz MNXPMZWCDNYAIH-OAHLLOKOSA-N 1 1 380.452 1.684 40 0 GDABMO CC[N@H+]1C[C@]2(C)CC[C@H](OC)[C@]34[C@H]1[C@H]([C@@H](O)[C@@H]32)[C@@]1(O)CC[C@H]2C[C@@H]4[C@@H]1C(=O)O2 ZINC000030726642 206079822 /nfs/dbraw/zinc/07/98/22/206079822.db2.gz YPSAOPXJHSESSR-BXUXMRMYSA-N 1 1 391.508 1.185 40 0 biogenic,in-vitro GDABMO O=C(CCCc1nc2cc(F)ccc2[nH]1)N[C@@H]1CC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257273095 206170934 /nfs/dbraw/zinc/17/09/34/206170934.db2.gz NFGBQYUPACHRLU-WRWLIDTKSA-N 1 1 390.459 1.365 40 0 GDABMO CC(C)n1nccc1-c1nc(C(=O)NCCC[NH+]2CCOCC2)c2cnccn21 ZINC000306138870 206204669 /nfs/dbraw/zinc/20/46/69/206204669.db2.gz SJWQYAJPEPQMLY-UHFFFAOYSA-N 1 1 397.483 1.626 40 0 GDABMO Cc1cccc(C[N@H+]2CC[C@@]3(C2)Cn2c(=O)c(=O)n(CC4CC4)nc2CO3)c1 ZINC000306124061 206196616 /nfs/dbraw/zinc/19/66/16/206196616.db2.gz BENBKNUGZXHFIK-OAQYLSRUSA-N 1 1 382.464 1.298 40 0 GDABMO Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@H]2C[N@H+](Cc4cccnc4)C[C@H]32)cc1 ZINC000306123738 206197879 /nfs/dbraw/zinc/19/78/79/206197879.db2.gz AVCSKQHIGXZHDQ-MOPGFXCFSA-N 1 1 389.459 1.386 40 0 GDABMO O=C(NC1CCC1)c1nnc2n1C[C@@H]1C[N@H+](Cc3ccc4c(c3)OCO4)C[C@@H]1C2 ZINC000306133301 206201973 /nfs/dbraw/zinc/20/19/73/206201973.db2.gz MHXKAZGMKDXGHL-GJZGRUSLSA-N 1 1 395.463 1.593 40 0 GDABMO O=C(c1cccnc1)N1C[C@@H]2C[C@@H](O)C[N@H+]2C2(CN(Cc3ccccc3)C2)C1 ZINC000514288506 560034902 /nfs/dbraw/zinc/03/49/02/560034902.db2.gz BNHQOYPMSLLXQH-VQTJNVASSA-N 1 1 378.476 1.227 40 0 biogenic,in-vitro GDABMO O=C(c1cccnc1)N1C[C@@H]2C[C@@H](O)C[N@@H+]2C2(CN(Cc3ccccc3)C2)C1 ZINC000514288506 560034904 /nfs/dbraw/zinc/03/49/04/560034904.db2.gz BNHQOYPMSLLXQH-VQTJNVASSA-N 1 1 378.476 1.227 40 0 biogenic,in-vitro GDABMO COCC[N@H+](Cc1cnn2cccnc12)Cc1ccc2c(c1)n(C)c(=O)n2C ZINC000019719756 570210903 /nfs/dbraw/zinc/21/09/03/570210903.db2.gz NYXJHSNXMIKOIU-UHFFFAOYSA-N 1 1 380.452 1.568 40 0 GDABMO COCC[N@@H+](Cc1cnn2cccnc12)Cc1ccc2c(c1)n(C)c(=O)n2C ZINC000019719756 570210905 /nfs/dbraw/zinc/21/09/05/570210905.db2.gz NYXJHSNXMIKOIU-UHFFFAOYSA-N 1 1 380.452 1.568 40 0 GDABMO COCC[N@H+]1CC2(CCN(C(=O)c3ccccc3C)CC2)[C@]2(CCNC2=O)C1 ZINC000096144165 570213490 /nfs/dbraw/zinc/21/34/90/570213490.db2.gz YXSMWDDVZTZPGF-JOCHJYFZSA-N 1 1 385.508 1.686 40 0 GDABMO CC(C)C[N@@H+]1CCN(C)C(=O)C12CCN(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000096230270 570221383 /nfs/dbraw/zinc/22/13/83/570221383.db2.gz KDVROGWOOAUTHV-UHFFFAOYSA-N 1 1 397.516 1.779 40 0 GDABMO CC(C)C[N@H+]1CCN(C)C(=O)C12CCN(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000096230270 570221386 /nfs/dbraw/zinc/22/13/86/570221386.db2.gz KDVROGWOOAUTHV-UHFFFAOYSA-N 1 1 397.516 1.779 40 0 GDABMO CCn1nc(C)cc1C(=O)N1CCC[C@@]2(C[C@H](C[N@@H+](C)CCOC)CO2)C1 ZINC000096228487 570221408 /nfs/dbraw/zinc/22/14/08/570221408.db2.gz PPQCYLCXUDVPOH-YLJYHZDGSA-N 1 1 378.517 1.801 40 0 GDABMO C[N@@H+](CCc1ccccn1)C[C@@]1(O)CN(C(=O)CCc2ccccc2)CC[C@@H]1O ZINC000585286171 570255720 /nfs/dbraw/zinc/25/57/20/570255720.db2.gz WKYHAMYBGNAVJP-JTHBVZDNSA-N 1 1 397.519 1.513 40 0 GDABMO CC[NH+]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cc(OC)ccc2C)CC1 ZINC000022230161 570308448 /nfs/dbraw/zinc/30/84/48/570308448.db2.gz YBDMVXQEHDSUIX-QGZVFWFLSA-N 1 1 395.525 1.321 40 0 GDABMO C[C@@H]1C[N@H+](Cc2ccco2)[C@H](C)CN1CC(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000022916030 570335040 /nfs/dbraw/zinc/33/50/40/570335040.db2.gz CJHDYUAJHLUQIO-HZPDHXFCSA-N 1 1 395.467 1.789 40 0 GDABMO C[C@@H]1C[N@@H+](Cc2ccco2)[C@H](C)CN1CC(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000022916030 570335041 /nfs/dbraw/zinc/33/50/41/570335041.db2.gz CJHDYUAJHLUQIO-HZPDHXFCSA-N 1 1 395.467 1.789 40 0 GDABMO CCn1cc(S(=O)(=O)NC[C@H](c2ccc3c(c2)OCO3)[NH+](C)C)c(C)n1 ZINC000012362474 570646165 /nfs/dbraw/zinc/64/61/65/570646165.db2.gz LWTXIKREBIWUMM-CQSZACIVSA-N 1 1 380.470 1.521 40 0 GDABMO CC(=O)N[C@H]1C[N@H+](C)C2(C1)CCN(C(=O)CCOc1cccc(F)c1)CC2 ZINC000019704214 570896665 /nfs/dbraw/zinc/89/66/65/570896665.db2.gz DBUVLFLUNCOIAK-QGZVFWFLSA-N 1 1 377.460 1.796 40 0 GDABMO Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@H](C[N@H+]3CC[C@H](O)C3)C2)CC1 ZINC000585103766 570928903 /nfs/dbraw/zinc/92/89/03/570928903.db2.gz JAIUJKVTWMACMO-ROUUACIJSA-N 1 1 394.537 1.621 40 0 GDABMO Cc1ccc(OCC(=O)N2CCC3(CO[C@@H](C[N@H+]4CC[C@H](O)C4)C3)CC2)cc1 ZINC000585103695 570929115 /nfs/dbraw/zinc/92/91/15/570929115.db2.gz IMJMRRACUZVVJM-AZUAARDMSA-N 1 1 388.508 1.838 40 0 GDABMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CC(=O)N(Cc3cncs3)C2)C1 ZINC000585103869 570929685 /nfs/dbraw/zinc/92/96/85/570929685.db2.gz UUJOZTMMPIRXJY-SFHVURJKSA-N 1 1 376.482 1.999 40 0 GDABMO O=S(=O)(Cc1ccccc1)N1CCC2(CO[C@@H](C[N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000585104236 570933191 /nfs/dbraw/zinc/93/31/91/570933191.db2.gz OHKOONIPELNVBU-RTBURBONSA-N 1 1 394.537 1.454 40 0 GDABMO O=c1c(=O)n(Cc2ccccc2)nc2n1C[C@@]1(CC[N@@H+](Cc3ccsc3)C1)C2 ZINC000306126248 570936864 /nfs/dbraw/zinc/93/68/64/570936864.db2.gz DQVIPBPBYMNOIJ-NRFANRHFSA-N 1 1 394.500 1.963 40 0 GDABMO C[C@H](NC(=O)c1ccc2ncccc2c1)c1cc(=O)[nH]c(N2CC[NH+](C)CC2)n1 ZINC000019458386 570988087 /nfs/dbraw/zinc/98/80/87/570988087.db2.gz HOLHDEREBNNARS-AWEZNQCLSA-N 1 1 392.463 1.561 40 0 GDABMO COc1ccc(C[N@H+]2CCc3nc(-c4cnccn4)[nH]c(=O)c3CC2)cc1OC ZINC000019561177 571005901 /nfs/dbraw/zinc/00/59/01/571005901.db2.gz SYMPMWAFCWDJMX-UHFFFAOYSA-N 1 1 393.447 1.845 40 0 GDABMO COc1cc(CCC(=O)N2CCC[C@@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)on1 ZINC000019590386 571018231 /nfs/dbraw/zinc/01/82/31/571018231.db2.gz VAMPQNZMRLHDRL-CQSZACIVSA-N 1 1 385.468 1.800 40 0 GDABMO CN(C)C(=O)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](Cc1ccccn1)CCC2 ZINC000096056107 571098105 /nfs/dbraw/zinc/09/81/05/571098105.db2.gz PUAWGLMQJZLBAY-UWJYYQICSA-N 1 1 380.496 1.678 40 0 GDABMO Cc1nn(C)cc1C[NH+]1CCN(c2ccccc2[C@@H](O)c2nccn2C)CC1 ZINC000012143369 204374940 /nfs/dbraw/zinc/37/49/40/204374940.db2.gz KTFMHPPPFMVBFO-HXUWFJFHSA-N 1 1 380.496 1.866 40 0 GDABMO CCc1[nH+]ccn1CC1CCN(S(=O)(=O)CCN2C(=O)CCCC2=O)CC1 ZINC000090560508 205271952 /nfs/dbraw/zinc/27/19/52/205271952.db2.gz GNNDOXNKYNSPOP-UHFFFAOYSA-N 1 1 396.513 1.026 40 0 GDABMO CCOC(=O)[C@@H]1C[N@H+](Cc2ccncc2)C[C@]12COc1ccccc1C(=O)N2 ZINC000072334311 205326379 /nfs/dbraw/zinc/32/63/79/205326379.db2.gz BENPYVBXTUZRLY-UWJYYQICSA-N 1 1 381.432 1.638 40 0 GDABMO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccncc2)C[C@]12COc1ccccc1C(=O)N2 ZINC000072334311 205326383 /nfs/dbraw/zinc/32/63/83/205326383.db2.gz BENPYVBXTUZRLY-UWJYYQICSA-N 1 1 381.432 1.638 40 0 GDABMO CC(C)NC(=O)[C@@H]1C[N@@H+](Cc2ccncc2)C[C@]12Cc1ccccc1C(=O)N2 ZINC000072334470 205327901 /nfs/dbraw/zinc/32/79/01/205327901.db2.gz VYTWIADKTBUEFY-SIKLNZKXSA-N 1 1 378.476 1.763 40 0 GDABMO Cn1ccnc1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@](O)(Cn2cccn2)C1 ZINC000072354522 205332889 /nfs/dbraw/zinc/33/28/89/205332889.db2.gz FBDHTMXPZRQJCQ-NRFANRHFSA-N 1 1 394.479 1.006 40 0 GDABMO CCN1C(=O)C[C@@H](C(=O)N2CC[NH+](CC)CC2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000257305285 206176785 /nfs/dbraw/zinc/17/67/85/206176785.db2.gz SPGQYGNPKHFIJA-UZLBHIALSA-N 1 1 389.496 1.777 40 0 GDABMO CC(C)Oc1ccc(C[N@@H+]2CCOC[C@@]3(Cc4c(nc(N)nc4N)O3)C2)cc1 ZINC000257312767 206177710 /nfs/dbraw/zinc/17/77/10/206177710.db2.gz UPKXCFUNVWTIEM-HXUWFJFHSA-N 1 1 385.468 1.634 40 0 GDABMO CC(C)Oc1ccc(C[N@H+]2CCOC[C@@]3(Cc4c(nc(N)nc4N)O3)C2)cc1 ZINC000257312767 206177714 /nfs/dbraw/zinc/17/77/14/206177714.db2.gz UPKXCFUNVWTIEM-HXUWFJFHSA-N 1 1 385.468 1.634 40 0 GDABMO NC(=O)[C@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000257265255 206170421 /nfs/dbraw/zinc/17/04/21/206170421.db2.gz LXWVQEQGYZDKHP-OAQYLSRUSA-N 1 1 396.447 1.310 40 0 GDABMO NC(=O)[C@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000257265255 206170427 /nfs/dbraw/zinc/17/04/27/206170427.db2.gz LXWVQEQGYZDKHP-OAQYLSRUSA-N 1 1 396.447 1.310 40 0 GDABMO CCCCc1cc(C(=O)N2CCC[C@](O)(C[NH+]3CCN(C)CC3)CC2)n[nH]1 ZINC000257330274 206179954 /nfs/dbraw/zinc/17/99/54/206179954.db2.gz XNQOQWSCCLRHNJ-HXUWFJFHSA-N 1 1 377.533 1.357 40 0 GDABMO CO[C@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)oc(=O)n3C)CC[C@]12CCCO2 ZINC000257323459 206180186 /nfs/dbraw/zinc/18/01/86/206180186.db2.gz WKFUAYGQERZECE-QFBILLFUSA-N 1 1 375.425 1.340 40 0 GDABMO CO[C@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)oc(=O)n3C)CC[C@]12CCCO2 ZINC000257323459 206180189 /nfs/dbraw/zinc/18/01/89/206180189.db2.gz WKFUAYGQERZECE-QFBILLFUSA-N 1 1 375.425 1.340 40 0 GDABMO Cn1cc(C[N@H+]2C[C@H](c3cccnc3)[C@]3(C2)OCCN(CC2CC2)C3=O)cn1 ZINC000306141603 206206928 /nfs/dbraw/zinc/20/69/28/206206928.db2.gz WBZWHEHJNBDGNE-CTNGQTDRSA-N 1 1 381.480 1.422 40 0 GDABMO O=C(c1ccccc1)N1CC2(C1)C[N@H+](CCc1ccccc1)C[C@@H]1C[C@@H](O)CN12 ZINC000514290084 560031065 /nfs/dbraw/zinc/03/10/65/560031065.db2.gz SNRBDIFNDMFJEZ-FCHUYYIVSA-N 1 1 391.515 1.875 40 0 biogenic,in-vitro GDABMO CC(C)[C@H](CO)Nc1nc(N2CCc3ccc(S(N)(=O)=O)cc3C2)cc[nH+]1 ZINC000329028049 570213671 /nfs/dbraw/zinc/21/36/71/570213671.db2.gz PUFWLRVGAQFXFQ-INIZCTEOSA-N 1 1 391.497 1.116 40 0 GDABMO COCC[N@H+]1CC[C@@H](c2nnc3ccc(C(=O)NCCc4ccncc4)cn32)C1 ZINC000096156141 570216567 /nfs/dbraw/zinc/21/65/67/570216567.db2.gz ZTOXXKXZKHWRRO-QGZVFWFLSA-N 1 1 394.479 1.533 40 0 GDABMO Cc1ccccc1N1CCC(O)(C[N@@H+]2CCN(C)C[C@H](C(=O)N(C)C)C2)CC1 ZINC000585283430 570251667 /nfs/dbraw/zinc/25/16/67/570251667.db2.gz OGMYKMAJYFBETA-IBGZPJMESA-N 1 1 388.556 1.278 40 0 GDABMO Cc1ccc(Cl)c(OC[C@@]2(O)C[N@@H+](CC3(O)CCOCC3)CC[C@@H]2O)c1 ZINC000585284667 570254012 /nfs/dbraw/zinc/25/40/12/570254012.db2.gz YZXVWGPEYMGTMJ-HKUYNNGSSA-N 1 1 385.888 1.366 40 0 GDABMO C[C@@H](O)[C@H]1[NH2+][C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]21 ZINC000016022062 570308469 /nfs/dbraw/zinc/30/84/69/570308469.db2.gz JVUYADAQSHTWNO-HDTOTFRQSA-N 1 1 391.855 1.240 40 0 GDABMO CN1CCN([C@H]2C[N@@H+](Cc3ccc(OCc4ccccn4)cc3)C[C@@H]2O)CC1 ZINC000257302971 570488571 /nfs/dbraw/zinc/48/85/71/570488571.db2.gz SFFISNIRCQNIQF-VXKWHMMOSA-N 1 1 382.508 1.453 40 0 GDABMO CCn1cc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)OCO3)[NH+](C)C)c(C)n1 ZINC000012362476 570646140 /nfs/dbraw/zinc/64/61/40/570646140.db2.gz LWTXIKREBIWUMM-AWEZNQCLSA-N 1 1 380.470 1.521 40 0 GDABMO COc1ccc([C@H](c2nnnn2Cc2ccco2)N2CC[NH+](C)CC2)cc1OC ZINC000019589853 570927648 /nfs/dbraw/zinc/92/76/48/570927648.db2.gz PUBPMZUGCRDBDR-LJQANCHMSA-N 1 1 398.467 1.668 40 0 GDABMO O=c1[nH]c(N2CCOCC2)nc2c1CC[N@@H+](Cc1cccc(F)c1F)CC2 ZINC000019292759 570972640 /nfs/dbraw/zinc/97/26/40/570972640.db2.gz OOVQYTAKMNAQAA-UHFFFAOYSA-N 1 1 376.407 1.486 40 0 GDABMO C[C@H](NC(=O)c1ccc(F)c(Cl)c1)c1cc(=O)[nH]c(N2CC[NH+](C)CC2)n1 ZINC000019458382 570987975 /nfs/dbraw/zinc/98/79/75/570987975.db2.gz FEQHZMYJCXBYHZ-NSHDSACASA-N 1 1 393.850 1.805 40 0 GDABMO CCc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(C(C)=O)C2 ZINC000019523507 570995847 /nfs/dbraw/zinc/99/58/47/570995847.db2.gz XXXUXXCSSHRVKO-GOSISDBHSA-N 1 1 396.495 1.894 40 0 GDABMO COc1ccc2c(c1)C(=O)N[C@@]1(CC[N@H+](Cc3cnc(N(C)C)nc3)C1)CC2 ZINC000019585505 571015315 /nfs/dbraw/zinc/01/53/15/571015315.db2.gz QWDHUPVOLFFICY-OAQYLSRUSA-N 1 1 381.480 1.872 40 0 GDABMO COc1ccc2c(c1)C(=O)N[C@@]1(CC[N@@H+](Cc3cnc(N(C)C)nc3)C1)CC2 ZINC000019585505 571015316 /nfs/dbraw/zinc/01/53/16/571015316.db2.gz QWDHUPVOLFFICY-OAQYLSRUSA-N 1 1 381.480 1.872 40 0 GDABMO CCN1CC[C@]2(C[N@H+](CCOC)CC23CCN(Cc2ccccn2)CC3)C1=O ZINC000096036432 571096438 /nfs/dbraw/zinc/09/64/38/571096438.db2.gz BLBNEKJGWQGIRO-QFIPXVFZSA-N 1 1 386.540 1.864 40 0 GDABMO CCN1CC[C@]2(C[N@@H+](CCOC)CC23CCN(Cc2ccccn2)CC3)C1=O ZINC000096036432 571096441 /nfs/dbraw/zinc/09/64/41/571096441.db2.gz BLBNEKJGWQGIRO-QFIPXVFZSA-N 1 1 386.540 1.864 40 0 GDABMO CC(C)NC(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccccc3)C[N@@H+]21 ZINC000015707420 291107241 /nfs/dbraw/zinc/10/72/41/291107241.db2.gz SFSYKAVXVKHYIM-BBWFWOEESA-N 1 1 387.484 1.054 40 0 biogenic,in-vitro GDABMO CC(C)NC(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccccc3)C[N@H+]21 ZINC000015707420 291107242 /nfs/dbraw/zinc/10/72/42/291107242.db2.gz SFSYKAVXVKHYIM-BBWFWOEESA-N 1 1 387.484 1.054 40 0 biogenic,in-vitro GDABMO CC[C@@H](C(=O)NCCC[NH+]1CCOCC1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713903 204506665 /nfs/dbraw/zinc/50/66/65/204506665.db2.gz UBIGTVTXBDXQLX-SFHVURJKSA-N 1 1 397.541 1.378 40 0 GDABMO CC(C)C(=O)Nc1nnc(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)s1 ZINC000225726907 206071025 /nfs/dbraw/zinc/07/10/25/206071025.db2.gz HARQSOLIZOKPPI-UHFFFAOYSA-N 1 1 389.547 1.533 40 0 GDABMO O=C(COc1cccc2cccnc21)N1CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1 ZINC000257216569 206160550 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ZINC000257338335 206180870 /nfs/dbraw/zinc/18/08/70/206180870.db2.gz YWXZMUZMVTZVSP-FQEVSTJZSA-N 1 1 388.468 1.613 40 0 GDABMO O=c1c(=O)n(Cc2ccc(F)cc2)nc2n1C[C@]1(CC[N@@H+](Cc3ccco3)C1)C2 ZINC000306139810 206206070 /nfs/dbraw/zinc/20/60/70/206206070.db2.gz UBJITNWPINKIOZ-OAQYLSRUSA-N 1 1 396.422 1.634 40 0 GDABMO Cn1nccc1[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@]12CCCN(C)C2=O ZINC000306129054 206198429 /nfs/dbraw/zinc/19/84/29/206198429.db2.gz HSQYOOFZPNODOP-HRAATJIYSA-N 1 1 382.464 1.987 40 0 GDABMO Cc1cccc(S(=O)(=O)NC[C@@H]2CC[C@@]3(COCC[N@H+](C(C)C)C3)O2)c1 ZINC000306130223 206199753 /nfs/dbraw/zinc/19/97/53/206199753.db2.gz IZKVDZSSLUJNGR-PKOBYXMFSA-N 1 1 382.526 1.932 40 0 GDABMO O=c1c(=O)n(Cc2ccccc2)nc2n1C[C@@H]1CC[N@@H+](Cc3ccco3)C[C@H]21 ZINC000306131456 206200775 /nfs/dbraw/zinc/20/07/75/206200775.db2.gz KEYILSCNPSFKDZ-WMZOPIPTSA-N 1 1 378.432 1.666 40 0 GDABMO CN(C)C(=O)COCC[C@H]1CO[C@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@@H]12 ZINC000306132222 206201057 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1 382.526 1.536 40 0 GDABMO CN1CC[C@@]2(CN(c3ncccn3)CC23CC[NH+](Cc2nccs2)CC3)C1=O ZINC000097952860 570261566 /nfs/dbraw/zinc/26/15/66/570261566.db2.gz AABFWQLYFPSZLY-HXUWFJFHSA-N 1 1 398.536 1.884 40 0 GDABMO Cc1cc(C)n(-c2cc(NC(=O)CN3CC[NH+](C)CC3)nc(-c3ccco3)n2)n1 ZINC000023360511 570356797 /nfs/dbraw/zinc/35/67/97/570356797.db2.gz BWVAXODRSJSHDC-UHFFFAOYSA-N 1 1 395.467 1.725 40 0 GDABMO COc1cc(C[N@@H+]2C[C@H](O)[C@@H](N3CCC(F)(F)CC3)C2)ccc1OCCO ZINC000257319764 570487372 /nfs/dbraw/zinc/48/73/72/570487372.db2.gz VTZDLDWYZDLUDK-HOTGVXAUSA-N 1 1 386.439 1.343 40 0 GDABMO COc1cc(C[N@H+]2C[C@H](O)[C@@H](N3CCC(F)(F)CC3)C2)ccc1OCCO ZINC000257319764 570487374 /nfs/dbraw/zinc/48/73/74/570487374.db2.gz VTZDLDWYZDLUDK-HOTGVXAUSA-N 1 1 386.439 1.343 40 0 GDABMO O[C@@H]1C[C@@H]2C[N@@H+](CCc3ccccc3)CC3(CN(Cc4ccccn4)C3)N2C1 ZINC000514289543 570492797 /nfs/dbraw/zinc/49/27/97/570492797.db2.gz NVDOZGNQRGMGPA-FGZHOGPDSA-N 1 1 378.520 1.630 40 0 biogenic,in-vitro GDABMO CC(=O)N(C)Cc1cc([C@H]2CC[C@H](C[N@H+](C)CC(=O)N(C)C)CC2)nn1C ZINC000257246851 570894216 /nfs/dbraw/zinc/89/42/16/570894216.db2.gz IWCIHLPCKWBXRZ-QAQDUYKDSA-N 1 1 377.533 1.692 40 0 GDABMO CC[NH+]1CCN([C@@H](c2nnnn2CCOC)c2ccc(OC)cc2OC)CC1 ZINC000019528037 570928783 /nfs/dbraw/zinc/92/87/83/570928783.db2.gz JMVHUWQBOSQHAB-GOSISDBHSA-N 1 1 390.488 1.064 40 0 GDABMO COc1c(C)cccc1C[N@H+]1CC[C@@H](c2cc(=O)[nH]c(N3CCOCC3)n2)C1 ZINC000019235906 570966075 /nfs/dbraw/zinc/96/60/75/570966075.db2.gz ZFYHEMQHFZDBOR-MRXNPFEDSA-N 1 1 384.480 1.913 40 0 GDABMO C[N@H+]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[C@@H]1C1CCN(S(C)(=O)=O)CC1 ZINC000019587771 571015824 /nfs/dbraw/zinc/01/58/24/571015824.db2.gz YTDWTAMPRCHDRC-WMLDXEAASA-N 1 1 383.489 1.756 40 0 GDABMO CN(C[C@@H]1OCCc2ccccc21)C(=O)C[C@H]1C(=O)NCC[N@H+]1C1CCCC1 ZINC000019586029 571015851 /nfs/dbraw/zinc/01/58/51/571015851.db2.gz BQSGOSKDQZGTIC-PMACEKPBSA-N 1 1 385.508 1.892 40 0 GDABMO Cc1c(Cl)cccc1NC(=O)CSC1=[NH+][C@H]2CS(=O)(=O)C[C@H]2N1C ZINC000032508645 530607611 /nfs/dbraw/zinc/60/76/11/530607611.db2.gz JIENLRUHILYRRG-QWHCGFSZSA-N 1 1 387.914 1.787 40 0 GDABMO CSCC[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)NC[C@@H]1CCCO1 ZINC000036542243 204322111 /nfs/dbraw/zinc/32/21/11/204322111.db2.gz ZLEPIMGSEWMHEC-KSZLIROESA-N 1 1 391.537 1.234 40 0 GDABMO Cc1cc(C)nc(N2CCC[N@H+](Cc3ccnc(N4CCOCC4)n3)CC2)n1 ZINC000012188734 204380277 /nfs/dbraw/zinc/38/02/77/204380277.db2.gz QRBQXGSFMLBDBU-UHFFFAOYSA-N 1 1 383.500 1.432 40 0 GDABMO Cc1cc(C)nc(N2CCC[N@@H+](Cc3ccnc(N4CCOCC4)n3)CC2)n1 ZINC000012188734 204380279 /nfs/dbraw/zinc/38/02/79/204380279.db2.gz QRBQXGSFMLBDBU-UHFFFAOYSA-N 1 1 383.500 1.432 40 0 GDABMO COc1ccc2c(c1)c(C[N@H+]1CCC[C@@H](CN3CCCC3=O)C1)cn2CC(N)=O ZINC000012222655 204385400 /nfs/dbraw/zinc/38/54/00/204385400.db2.gz YVWBNNMWOAMUJU-MRXNPFEDSA-N 1 1 398.507 1.970 40 0 GDABMO CC(C)[NH+]1CC2(C1)C(=O)N(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@@H](O)CN12 ZINC000225389329 206045711 /nfs/dbraw/zinc/04/57/11/206045711.db2.gz 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CCOC(=O)N1CC[NH+](C[C@@H](O)COCCOc2cccc(OC)c2)CC1 ZINC000026533372 570408378 /nfs/dbraw/zinc/40/83/78/570408378.db2.gz VFMICZCPKCYIQB-MRXNPFEDSA-N 1 1 382.457 1.226 40 0 GDABMO O[C@@H]1C[C@@H]2C[N@@H+](CCc3ccccc3)CC3(CN(Cc4cccnc4)C3)N2C1 ZINC000514288791 570492699 /nfs/dbraw/zinc/49/26/99/570492699.db2.gz DZJPLLWGMBUKRU-FGZHOGPDSA-N 1 1 378.520 1.630 40 0 biogenic,in-vitro GDABMO CC(C)C(=O)N1CCc2cc([C@H](O)C[NH+]3CCN(c4cnccn4)CC3)ccc21 ZINC000036741262 570569171 /nfs/dbraw/zinc/56/91/71/570569171.db2.gz IKMKWWQZKXUGGH-HXUWFJFHSA-N 1 1 395.507 1.877 40 0 GDABMO Cc1cc(N2CCN(C(=O)CCN3Cc4ccccc4C3=O)CC2)nc(C)[nH+]1 ZINC000012290736 570632838 /nfs/dbraw/zinc/63/28/38/570632838.db2.gz CUCOPHINTPOHLZ-UHFFFAOYSA-N 1 1 379.464 1.788 40 0 GDABMO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000225923318 570633573 /nfs/dbraw/zinc/63/35/73/570633573.db2.gz SRXKANLSVIQSPQ-QGZVFWFLSA-N 1 1 379.526 1.478 40 0 GDABMO COCCn1nnnc1[C@@H](c1ccc(Cl)cc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000019593949 570929203 /nfs/dbraw/zinc/92/92/03/570929203.db2.gz RPEMSTJEXQWAGN-IAGOWNOFSA-N 1 1 376.892 1.842 40 0 GDABMO CCC(=O)Nc1nnc(S(=O)(=O)NCCC[N@H+]2CCCC[C@@H]2CC)s1 ZINC000224921919 531030184 /nfs/dbraw/zinc/03/01/84/531030184.db2.gz OOQJSFVYCFIRMO-LBPRGKRZSA-N 1 1 389.547 1.820 40 0 GDABMO CCC(=O)Nc1nnc(S(=O)(=O)NCCC[N@@H+]2CCCC[C@@H]2CC)s1 ZINC000224921919 531030189 /nfs/dbraw/zinc/03/01/89/531030189.db2.gz OOQJSFVYCFIRMO-LBPRGKRZSA-N 1 1 389.547 1.820 40 0 GDABMO O=C(C1CC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccnc1)CC2 ZINC000019339277 207117364 /nfs/dbraw/zinc/11/73/64/207117364.db2.gz QVCQJIXSLOAUTI-SFHVURJKSA-N 1 1 379.464 1.797 40 0 GDABMO O=C(C1CC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccnc1)CC2 ZINC000019339277 207117367 /nfs/dbraw/zinc/11/73/67/207117367.db2.gz QVCQJIXSLOAUTI-SFHVURJKSA-N 1 1 379.464 1.797 40 0 GDABMO CC(=O)N1CCC(c2ncc3c(n2)CCN(C(=O)C[N@@H+]2CCCC[C@@H]2C)C3)CC1 ZINC000019496346 207124519 /nfs/dbraw/zinc/12/45/19/207124519.db2.gz 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COc1ccccc1S(=O)(=O)N1CCC[C@@H]1c1nnc2n1CC[N@H+](C)CC2 ZINC000019710652 207153000 /nfs/dbraw/zinc/15/30/00/207153000.db2.gz QRBJZHJIASOQNO-CQSZACIVSA-N 1 1 391.497 1.300 40 0 GDABMO Cc1ccc(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)cc1N1CCOCC1 ZINC000019716619 207153917 /nfs/dbraw/zinc/15/39/17/207153917.db2.gz QISQRXXEQHQATP-FQEVSTJZSA-N 1 1 375.513 1.918 40 0 GDABMO CN(C)C(=O)Cn1cccc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c1=O ZINC000019750146 207159394 /nfs/dbraw/zinc/15/93/94/207159394.db2.gz RGQPQCCZKGRZDW-SFHVURJKSA-N 1 1 382.464 1.065 40 0 GDABMO CN(C)C(=O)Cn1cccc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c1=O ZINC000019750146 207159397 /nfs/dbraw/zinc/15/93/97/207159397.db2.gz RGQPQCCZKGRZDW-SFHVURJKSA-N 1 1 382.464 1.065 40 0 GDABMO C[NH+]1CCN(N2CN=C3N[C@H](c4ccco4)n4c5ccccc5nc4N3C2)CC1 ZINC000020676314 207210170 /nfs/dbraw/zinc/21/01/70/207210170.db2.gz QQIQZSNOFAKONW-SFHVURJKSA-N 1 1 392.467 1.335 40 0 GDABMO CNS(=O)(=O)c1cccc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)c1 ZINC000032399063 207395327 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1 1 388.512 1.361 40 0 GDABMO CCOC(=O)[C@@]12CN(CC[NH+](C)C)C[C@@H]1CN(C(=O)c1ccccn1)CCC2 ZINC000096083033 208260520 /nfs/dbraw/zinc/26/05/20/208260520.db2.gz XVNYHHHTFOJYRE-UTKZUKDTSA-N 1 1 388.512 1.361 40 0 GDABMO O=C([C@H]1CCS(=O)(=O)[C@@H]2C[N@@H+](CCc3ccccc3)C[C@@H]21)N1CCCC1 ZINC000096251014 208296773 /nfs/dbraw/zinc/29/67/73/208296773.db2.gz QTXHNFKWYSELIE-IPMKNSEASA-N 1 1 376.522 1.587 40 0 GDABMO CC(C)N1CC[N@H+](C)C[C@@H]1c1nnc2ccc(C(=O)NCC(F)(F)F)cn21 ZINC000096268066 208299795 /nfs/dbraw/zinc/29/97/95/208299795.db2.gz MFXAXXNCGUFTON-CYBMUJFWSA-N 1 1 384.406 1.718 40 0 GDABMO CC(C)N1CC[N@@H+](C)C[C@@H]1c1nnc2ccc(C(=O)NCC(F)(F)F)cn21 ZINC000096268066 208299802 /nfs/dbraw/zinc/29/98/02/208299802.db2.gz MFXAXXNCGUFTON-CYBMUJFWSA-N 1 1 384.406 1.718 40 0 GDABMO O=c1c(=O)n2c(nn1CC1CC1)CO[C@@]1(CC[N@H+](Cc3ccc(F)cc3)C1)C2 ZINC000306137200 209104356 /nfs/dbraw/zinc/10/43/56/209104356.db2.gz QOOUXWBTQQBEGY-HXUWFJFHSA-N 1 1 386.427 1.129 40 0 GDABMO CC(C)Cn1nc2n(c(=O)c1=O)C[C@@]1(CC[N@@H+](Cc3cccs3)C1)OC2 ZINC000306132905 209102817 /nfs/dbraw/zinc/10/28/17/209102817.db2.gz LVWHIZKRBRSADC-SFHVURJKSA-N 1 1 376.482 1.297 40 0 GDABMO Cn1cc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)cn1 ZINC000306134698 209102439 /nfs/dbraw/zinc/10/24/39/209102439.db2.gz NVMDDZNVWYIOFW-ROUUACIJSA-N 1 1 391.479 1.246 40 0 GDABMO Cc1cccc(C[N@H+]2CC[C@@]3(C2)Cn2c(=O)c(=O)n(C4CCCC4)nc2CO3)n1 ZINC000306132641 209102239 /nfs/dbraw/zinc/10/22/39/209102239.db2.gz LOGIBHPMRNCCPR-OAQYLSRUSA-N 1 1 397.479 1.398 40 0 GDABMO COCCN1CCO[C@]2(C[N@@H+](CC3CCCCC3)C[C@H]2c2ccnn2C)C1=O ZINC000306131142 209101985 /nfs/dbraw/zinc/10/19/85/209101985.db2.gz JXTSBJDVVXBRSW-RXVVDRJESA-N 1 1 390.528 1.644 40 0 GDABMO Cc1[nH+]ccn1[C@@H]1CC[C@@H](NC(=O)CCc2ccc3c(c2)n(C)c(=O)n3C)[C@H]1O ZINC000257262139 209061059 /nfs/dbraw/zinc/06/10/59/209061059.db2.gz LKGLRAPSYKQFKI-WRWLIDTKSA-N 1 1 397.479 1.195 40 0 GDABMO O=C(N[C@@H]1CC[C@@H]([NH+]2CCOCC2)[C@@H]1O)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000257258387 209061425 /nfs/dbraw/zinc/06/14/25/209061425.db2.gz KTQQFQHZSSNWBK-BPLDGKMQSA-N 1 1 398.385 1.536 40 0 GDABMO NC(=O)[C@@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000257265254 209064356 /nfs/dbraw/zinc/06/43/56/209064356.db2.gz LXWVQEQGYZDKHP-NRFANRHFSA-N 1 1 396.447 1.310 40 0 GDABMO NC(=O)[C@@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000257265254 209064363 /nfs/dbraw/zinc/06/43/63/209064363.db2.gz LXWVQEQGYZDKHP-NRFANRHFSA-N 1 1 396.447 1.310 40 0 GDABMO CC[NH+]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000409392346 529130826 /nfs/dbraw/zinc/13/08/26/529130826.db2.gz RKYMFGBRXHPGRD-LLVKDONJSA-N 1 1 394.324 1.824 40 0 GDABMO NC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCN(c2ccccc2)CC1 ZINC000585262303 570230180 /nfs/dbraw/zinc/23/01/80/570230180.db2.gz NVZFFEIYXNEHCZ-CGXNFDGLSA-N 1 1 396.491 1.426 40 0 GDABMO 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212049976 /nfs/dbraw/zinc/04/99/76/212049976.db2.gz MHXKAZGMKDXGHL-CABCVRRESA-N 1 1 395.463 1.593 40 0 GDABMO O=c1c(=O)n(Cc2ccc(F)cc2)nc2n1C[C@@]1(CC[N@@H+](Cc3ccoc3)C1)C2 ZINC000306132102 212049291 /nfs/dbraw/zinc/04/92/91/212049291.db2.gz KYLIMMYGJLASGF-NRFANRHFSA-N 1 1 396.422 1.634 40 0 GDABMO O=C(NC1CC1)c1nnc2n1C[C@@H]1C[N@H+](Cc3ccc4c(c3)OCO4)C[C@@H]1C2 ZINC000306130956 212048925 /nfs/dbraw/zinc/04/89/25/212048925.db2.gz JTJCWSMTCAAEOL-KBPBESRZSA-N 1 1 381.436 1.203 40 0 GDABMO O=c1c(=O)n(Cc2ccc(F)cc2)nc2n1C[C@]1(CC[N@@H+](Cc3ccoc3)C1)C2 ZINC000306132103 212048945 /nfs/dbraw/zinc/04/89/45/212048945.db2.gz KYLIMMYGJLASGF-OAQYLSRUSA-N 1 1 396.422 1.634 40 0 GDABMO O=c1c(=O)n(Cc2ccccc2)nc2n1C[C@H]1CC[N@@H+](Cc3ccco3)C[C@H]21 ZINC000306131453 212048672 /nfs/dbraw/zinc/04/86/72/212048672.db2.gz KEYILSCNPSFKDZ-AEFFLSMTSA-N 1 1 378.432 1.666 40 0 GDABMO Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@H]2C[N@H+](Cc4cccnc4)C[C@H]32)cc1 ZINC000306123739 212045864 /nfs/dbraw/zinc/04/58/64/212045864.db2.gz AVCSKQHIGXZHDQ-OALUTQOASA-N 1 1 389.459 1.386 40 0 GDABMO Cc1cnc(CNC(=O)C2=NO[C@@]3(CC[N@H+](Cc4cccc(F)c4)C3)C2)cn1 ZINC000096225959 211321876 /nfs/dbraw/zinc/32/18/76/211321876.db2.gz MNWKIEMOMSJZID-FQEVSTJZSA-N 1 1 383.427 1.961 40 0 GDABMO Cc1cnc(CNC(=O)C2=NO[C@@]3(CC[N@@H+](Cc4cccc(F)c4)C3)C2)cn1 ZINC000096225959 211321878 /nfs/dbraw/zinc/32/18/78/211321878.db2.gz MNWKIEMOMSJZID-FQEVSTJZSA-N 1 1 383.427 1.961 40 0 GDABMO COc1ccc(C[N@H+]2CC[C@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C(C)=O)cc1 ZINC000096050423 211296651 /nfs/dbraw/zinc/29/66/51/211296651.db2.gz YJVVQEBWBUKKDH-NRFANRHFSA-N 1 1 397.479 1.269 40 0 GDABMO Cn1cc(C[NH+]2CCC3(CC2)COc2ccccc2S(=O)(=O)N(C)C3)cn1 ZINC000096037129 211296205 /nfs/dbraw/zinc/29/62/05/211296205.db2.gz BZKLARWPGRVCOQ-UHFFFAOYSA-N 1 1 390.509 1.715 40 0 GDABMO C[N@@H+]1CCC[C@H]1c1ncc2c(n1)CCN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)C2 ZINC000072397260 211112663 /nfs/dbraw/zinc/11/26/63/211112663.db2.gz KYGXDUAFAUGHID-BEFAXECRSA-N 1 1 397.523 1.919 40 0 GDABMO C[N@H+]1CCC[C@H]1c1ncc2c(n1)CCN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)C2 ZINC000072397260 211112667 /nfs/dbraw/zinc/11/26/67/211112667.db2.gz KYGXDUAFAUGHID-BEFAXECRSA-N 1 1 397.523 1.919 40 0 GDABMO COc1ccc(CN2CC3(C2)CN(Cc2cccnc2)C[C@H]2C[C@@H](O)C[N@@H+]23)cc1 ZINC000514290395 560029245 /nfs/dbraw/zinc/02/92/45/560029245.db2.gz XWGOJJXSPNKFAJ-NHCUHLMSSA-N 1 1 394.519 1.596 40 0 biogenic,in-vitro GDABMO C[N@H+](Cc1ccc(OCCOCCO)cc1)C[C@H](O)COc1ccccc1 ZINC000585269811 570238625 /nfs/dbraw/zinc/23/86/25/570238625.db2.gz LCYSXVMPYHZVFV-IBGZPJMESA-N 1 1 375.465 1.946 40 0 GDABMO COc1cc([C@@H]2C(C(=O)N3CC[NH+](C)CC3)=C(C)Nc3ncnn32)ccc1O ZINC000054672253 570678035 /nfs/dbraw/zinc/67/80/35/570678035.db2.gz PSKZIVMGRXSCLN-QGZVFWFLSA-N 1 1 384.440 1.055 40 0 GDABMO Cn1cc(C(=O)N2CCC3(C[C@H]([NH+]4CCOCC4)CO3)CC2)c(C(F)F)n1 ZINC000585099998 570926279 /nfs/dbraw/zinc/92/62/79/570926279.db2.gz LZGXFCHFPRQQBE-ZDUSSCGKSA-N 1 1 384.427 1.454 40 0 GDABMO Cc1nc(C)c(C(=O)N2CCC3(CO[C@@H](C[N@H+]4CC[C@H](O)C4)C3)CC2)s1 ZINC000585104230 570933200 /nfs/dbraw/zinc/93/32/00/570933200.db2.gz NTHQCCFFMLEYKB-JKSUJKDBSA-N 1 1 379.526 1.838 40 0 GDABMO COCCn1nnnc1[C@@H](c1ccc(Cl)cc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000245227657 231040230 /nfs/dbraw/zinc/04/02/30/231040230.db2.gz RPEMSTJEXQWAGN-DLBZAZTESA-N 1 1 376.892 1.842 40 0 GDABMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@@H](C)O)[NH2+][C@]21C(=O)Nc2c1cccc2Cl ZINC000016021937 210183085 /nfs/dbraw/zinc/18/30/85/210183085.db2.gz YZQBMWKTECEXCC-MRKNWXQBSA-N 1 1 391.855 1.240 40 0 GDABMO C[C@@]1(CO)C[N@@H+](Cc2ccccc2)C[C@@H]2CN(C(=O)C3CCOCC3)CCN21 ZINC000253405167 209219747 /nfs/dbraw/zinc/21/97/47/209219747.db2.gz RYAPCKHBFIHLRO-IRLDBZIGSA-N 1 1 387.524 1.193 40 0 biogenic,in-vitro GDABMO O=C(c1cn2c(nc1=O)C[C@@]1(CC[N@@H+](Cc3cccnc3)C1)C2)N1CCCC1 ZINC000306133416 212049779 /nfs/dbraw/zinc/04/97/79/212049779.db2.gz MKOLMVMKGJAKKH-OAQYLSRUSA-N 1 1 379.464 1.323 40 0 GDABMO O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1C[N@H+](Cc3nccs3)C[C@H]1C2 ZINC000306128521 212047481 /nfs/dbraw/zinc/04/74/81/212047481.db2.gz HCXHGHSIEDVILX-CVEARBPZSA-N 1 1 394.504 1.969 40 0 GDABMO CO[C@@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)oc(=O)n3C)CC[C@@]12CCCO2 ZINC000257323457 212024725 /nfs/dbraw/zinc/02/47/25/212024725.db2.gz WKFUAYGQERZECE-APWZRJJASA-N 1 1 375.425 1.340 40 0 GDABMO CO[C@@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)oc(=O)n3C)CC[C@@]12CCCO2 ZINC000257323457 212024728 /nfs/dbraw/zinc/02/47/28/212024728.db2.gz WKFUAYGQERZECE-APWZRJJASA-N 1 1 375.425 1.340 40 0 GDABMO COc1ccc([C@H]2C[N@@H+](C)[C@@H]3CCN(C(=O)Cn4cccnc4=O)C[C@@H]32)cc1 ZINC000257302816 212019723 /nfs/dbraw/zinc/01/97/23/212019723.db2.gz SEOTZHBYAAUHFT-GUDVDZBRSA-N 1 1 382.464 1.198 40 0 GDABMO CCN1CC[C@]2(C[N@@H+](Cc3cccnc3)CC23CCN(C(=O)N(C)C)CC3)C1=O ZINC000096262816 211326775 /nfs/dbraw/zinc/32/67/75/211326775.db2.gz YRJNOBTUMQRHMO-QFIPXVFZSA-N 1 1 399.539 1.900 40 0 GDABMO COc1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)NC(C)C)c1 ZINC000096250951 211324098 /nfs/dbraw/zinc/32/40/98/211324098.db2.gz IFNQHHOLJACOSP-RCCFBDPRSA-N 1 1 380.510 1.455 40 0 GDABMO COc1cccc(C[N@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)NC(C)C)c1 ZINC000096250951 211324101 /nfs/dbraw/zinc/32/41/01/211324101.db2.gz IFNQHHOLJACOSP-RCCFBDPRSA-N 1 1 380.510 1.455 40 0 GDABMO COc1cccc(CC(=O)N2CCC3(CC2)C(=O)N(C)CC[N@@H+]3CC2CC2)c1 ZINC000096230292 211321751 /nfs/dbraw/zinc/32/17/51/211321751.db2.gz IHDIWPZXEWBBLX-UHFFFAOYSA-N 1 1 385.508 1.783 40 0 GDABMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000095883191 211282380 /nfs/dbraw/zinc/28/23/80/211282380.db2.gz BIMSAGWBFXSEKA-SFHVURJKSA-N 1 1 393.553 1.911 40 0 GDABMO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@@H](C)O)[NH2+][C@@]21C(=O)Nc2c1ccc(C)c2C ZINC000095483897 211251482 /nfs/dbraw/zinc/25/14/82/211251482.db2.gz UEMPABXSKILNNH-HKRSJKNZSA-N 1 1 385.464 1.203 40 0 GDABMO C[N@@H+]1CCc2nnc([C@H]3CCCN(C(=O)COc4ccccc4F)C3)n2CC1 ZINC000072370925 211102919 /nfs/dbraw/zinc/10/29/19/211102919.db2.gz ZQEWRJHDRRFWMJ-HNNXBMFYSA-N 1 1 387.459 1.690 40 0 GDABMO C[N@H+]1CCC[C@@H](c2nnc3n2CCN(C(=O)CCCc2ccccn2)CC3)C1 ZINC000072370897 211102165 /nfs/dbraw/zinc/10/21/65/211102165.db2.gz NBBCZGIYBSCCHO-QGZVFWFLSA-N 1 1 382.512 1.890 40 0 GDABMO CC[C@H](c1ccc(F)cc1)n1cc(C(=O)NCCC[NH+]2CCOCC2)nn1 ZINC000072341641 211092946 /nfs/dbraw/zinc/09/29/46/211092946.db2.gz WDFPLQBZHXEDGQ-GOSISDBHSA-N 1 1 375.448 1.869 40 0 GDABMO COc1ccc([C@H](c2nnnn2Cc2ccco2)N2CC[NH+](C)CC2)c(OC)c1 ZINC000020141613 210317464 /nfs/dbraw/zinc/31/74/64/210317464.db2.gz SLSISVLMBDBSAX-LJQANCHMSA-N 1 1 398.467 1.668 40 0 GDABMO C[N@H+]1CCC[C@H](c2nnc3n2CCN(C(=O)COc2ccccc2F)CC3)C1 ZINC000019709256 210284147 /nfs/dbraw/zinc/28/41/47/210284147.db2.gz RMKIYXKDJAQZPK-HNNXBMFYSA-N 1 1 387.459 1.690 40 0 GDABMO Cc1noc(C)c1C[N@H+]1CC[C@@]2(C1)COCc1cnc(N3CCOCC3)nc12 ZINC000096244144 136185502 /nfs/dbraw/zinc/18/55/02/136185502.db2.gz NFJSLONJJNMBQQ-HXUWFJFHSA-N 1 1 385.468 1.592 40 0 GDABMO COc1cccc(C[N@H+]2CC[C@@]3(C2)COCc2cnc(N4CCOCC4)nc23)c1 ZINC000096244168 136185792 /nfs/dbraw/zinc/18/57/92/136185792.db2.gz DASGIURWGUZBMD-JOCHJYFZSA-N 1 1 396.491 1.996 40 0 GDABMO O=C(NCC1CC1)[C@]12C[N@@H+](Cc3cccnc3)C[C@H]1N(c1ncccn1)CCC2 ZINC000096251181 136185809 /nfs/dbraw/zinc/18/58/09/136185809.db2.gz COVCMNDOOQLEGF-DENIHFKCSA-N 1 1 392.507 1.869 40 0 GDABMO C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N1CC[NH+](C)CC1 ZINC000409390811 533965191 /nfs/dbraw/zinc/96/51/91/533965191.db2.gz LOMXAJJZOYCWMW-JTQLQIEISA-N 1 1 380.297 1.434 40 0 GDABMO COC[C@H]1CCC[N@H+]1C[C@@H]1OC[C@H](NC(=O)c2ccc(F)c(Cl)c2)[C@H]1O ZINC000514288867 560033723 /nfs/dbraw/zinc/03/37/23/560033723.db2.gz IEXCVNXMHPIRAM-ISWURRPUSA-N 1 1 386.851 1.448 40 0 biogenic,in-vitro GDABMO CN(C)C(=O)[C@H]1CN(C)CC[N@@H+](CC2(O)CCN(c3ccc(F)cc3)CC2)C1 ZINC000585282538 570250495 /nfs/dbraw/zinc/25/04/95/570250495.db2.gz GCZWHYGKULQIAN-KRWDZBQOSA-N 1 1 392.519 1.109 40 0 GDABMO CC[NH+]1CCN(C(=O)CCCN(c2cccc(OC)c2)S(C)(=O)=O)CC1 ZINC000113968492 570338790 /nfs/dbraw/zinc/33/87/90/570338790.db2.gz AJMHDFPOJUFWKN-UHFFFAOYSA-N 1 1 383.514 1.406 40 0 GDABMO CC(=O)Nc1nnc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)s1 ZINC000224804240 570531197 /nfs/dbraw/zinc/53/11/97/570531197.db2.gz BXWHLERKEVBIHU-UHFFFAOYSA-N 1 1 395.510 1.571 40 0 GDABMO Cc1cc(NC[C@@H](O)C[N@@H+]2CCC[C@H](C)C2)n2nc(-c3nccn3C)cc2n1 ZINC000036735101 570568670 /nfs/dbraw/zinc/56/86/70/570568670.db2.gz QXYJVVPGWXCOMQ-GOEBONIOSA-N 1 1 383.500 1.943 40 0 GDABMO Cc1nn(C)cc1C[NH+]1CCN(c2ccccc2[C@H](O)c2nccn2C)CC1 ZINC000012143370 570615521 /nfs/dbraw/zinc/61/55/21/570615521.db2.gz KTFMHPPPFMVBFO-FQEVSTJZSA-N 1 1 380.496 1.866 40 0 GDABMO Cn1c2ccc(S(=O)(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2oc1=O ZINC000012238936 570629986 /nfs/dbraw/zinc/62/99/86/570629986.db2.gz UPQLYASFEIVWMC-HNNXBMFYSA-N 1 1 387.461 1.684 40 0 GDABMO Cn1c2ccc(S(=O)(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2oc1=O ZINC000012238936 570629988 /nfs/dbraw/zinc/62/99/88/570629988.db2.gz UPQLYASFEIVWMC-HNNXBMFYSA-N 1 1 387.461 1.684 40 0 GDABMO Cc1ccc(CN(CC(=O)NCCC[N@@H+]2CCC[C@H](C)C2)S(C)(=O)=O)cc1 ZINC000260810896 570707191 /nfs/dbraw/zinc/70/71/91/570707191.db2.gz KYUFGRHJWJKJLW-SFHVURJKSA-N 1 1 395.569 1.995 40 0 GDABMO Cn1cc(C[N@H+]2Cc3cccn3C[C@H](CCNS(=O)(=O)C3CC3)C2)cn1 ZINC000585095272 570921773 /nfs/dbraw/zinc/92/17/73/570921773.db2.gz MSWAUNPAGOXEBI-OAHLLOKOSA-N 1 1 377.514 1.326 40 0 GDABMO Cn1cc(C[N@@H+]2Cc3cccn3C[C@H](CCNS(=O)(=O)C3CC3)C2)cn1 ZINC000585095272 570921776 /nfs/dbraw/zinc/92/17/76/570921776.db2.gz MSWAUNPAGOXEBI-OAHLLOKOSA-N 1 1 377.514 1.326 40 0 GDABMO Cn1cnc(C(=O)N2CCO[C@H](c3[nH+]cn4cc(-c5cccnc5)ccc34)C2)n1 ZINC000585113170 570943732 /nfs/dbraw/zinc/94/37/32/570943732.db2.gz UWJGAJNTNPIOGX-KRWDZBQOSA-N 1 1 389.419 1.739 40 0 GDABMO CCc1nc(N2CCN(CC(=O)Nc3cccc(C(=O)OC)c3)CC2)cc(C)[nH+]1 ZINC000019523155 210256570 /nfs/dbraw/zinc/25/65/70/210256570.db2.gz CGKFUPBTHPNJIH-UHFFFAOYSA-N 1 1 397.479 1.895 40 0 GDABMO CC(=O)N1c2ccc([C@@H](O)C[NH+]3CCN(c4ncccn4)CC3)cc2C[C@H]1C ZINC000019497802 210251900 /nfs/dbraw/zinc/25/19/00/210251900.db2.gz ZQTKFYQGJZNFRJ-QRWLVFNGSA-N 1 1 381.480 1.630 40 0 GDABMO CCn1ccc(-c2cc(C(=O)NCCC[NH+]3CCOCC3)c3c(C)noc3n2)n1 ZINC000036618008 210156171 /nfs/dbraw/zinc/15/61/71/210156171.db2.gz CYMLSPRKJPCHOS-UHFFFAOYSA-N 1 1 398.467 1.867 40 0 GDABMO CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000022526120 530572637 /nfs/dbraw/zinc/57/26/37/530572637.db2.gz JLAMBEVSQNVRLG-UHFFFAOYSA-N 1 1 375.878 1.164 40 0 GDABMO Cc1ccc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)c(Br)c1 ZINC000042646420 530629730 /nfs/dbraw/zinc/62/97/30/530629730.db2.gz YHTWXZNDEXWINV-UHFFFAOYSA-N 1 1 384.274 1.535 40 0 GDABMO Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCCC[NH+](C)C)s2)c1 ZINC000223515634 531028962 /nfs/dbraw/zinc/02/89/62/531028962.db2.gz LBHUGIRDZICVTF-UHFFFAOYSA-N 1 1 383.499 1.329 40 0 GDABMO CC(=O)N1C[C@]2(CCN(C(=O)N(C)C)C2)[C@H]2[C@@H]1CCC[N@H+]2Cc1cccnc1 ZINC000306141472 212055529 /nfs/dbraw/zinc/05/55/29/212055529.db2.gz VXGJRFKVZSWFFN-QKNQBKEWSA-N 1 1 385.512 1.650 40 0 GDABMO CC(C)NC(=O)c1nnc2n1C[C@H]1C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]1C2 ZINC000306134947 212051817 /nfs/dbraw/zinc/05/18/17/212051817.db2.gz OCDNXFLDVUEVAH-HUUCEWRRSA-N 1 1 383.452 1.449 40 0 GDABMO CC(C)Cn1nc2n(c(=O)c1=O)C[C@@]1(CC[N@@H+](Cc3ccsc3)C1)OC2 ZINC000306131257 212048406 /nfs/dbraw/zinc/04/84/06/212048406.db2.gz JZGXRAPEBJIQNJ-SFHVURJKSA-N 1 1 376.482 1.297 40 0 GDABMO CCN1C(=O)CC[C@@H](C(=O)N2CC[NH+](C)CC2)[C@@H]1c1ccc(OC)cc1OC ZINC000257320205 212024665 /nfs/dbraw/zinc/02/46/65/212024665.db2.gz VVTIYLWEEYHJTB-XLIONFOSSA-N 1 1 389.496 1.777 40 0 GDABMO CC(=O)N1C[C@H](c2ccccc2)[C@H]2C[N@H+](CC(=O)Nc3ccn(C)n3)CC[C@H]21 ZINC000257309419 212021748 /nfs/dbraw/zinc/02/17/48/212021748.db2.gz UAWDJZCGXJCMIL-GUDVDZBRSA-N 1 1 381.480 1.695 40 0 GDABMO CC(=O)N1C[C@H](c2ccccc2)[C@H]2C[N@@H+](CC(=O)Nc3ccn(C)n3)CC[C@H]21 ZINC000257309419 212021753 /nfs/dbraw/zinc/02/17/53/212021753.db2.gz UAWDJZCGXJCMIL-GUDVDZBRSA-N 1 1 381.480 1.695 40 0 GDABMO CC(=O)N1CC[NH+]([C@@H]2CC[C@@H](N(C)C(=O)c3cc4cc(C)ccc4o3)[C@H]2O)CC1 ZINC000257301485 212019259 /nfs/dbraw/zinc/01/92/59/212019259.db2.gz RYPKJLOUOWAFEF-DBXWQHBBSA-N 1 1 399.491 1.869 40 0 GDABMO Cc1ccc(-c2cc(C(=O)N3CC[C@H](O)[C@@H]([NH+]4CCOCC4)CC3)no2)cc1 ZINC000257263396 212012273 /nfs/dbraw/zinc/01/22/73/212012273.db2.gz LPTCRWFCFSMCMD-OALUTQOASA-N 1 1 385.464 1.948 40 0 GDABMO COCCN1C(=O)CC[C@@H](C(=O)N2CCC[N@@H+](C)CC2)[C@@H]1c1ccccc1F ZINC000257260149 212011884 /nfs/dbraw/zinc/01/18/84/212011884.db2.gz LBMOQKLYCNMCLY-XLIONFOSSA-N 1 1 391.487 1.916 40 0 GDABMO Cc1ccc(Cl)c(OCC(=O)N2CC[C@H](O)[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000257250072 212010776 /nfs/dbraw/zinc/01/07/76/212010776.db2.gz JKWSSEVKBOEIDU-IRXDYDNUSA-N 1 1 382.888 1.711 40 0 GDABMO COCCn1cnc(-c2nc(C(=O)N3CCC[N@@H+](C)CC3)c3ccccn32)c1 ZINC000096266873 211328389 /nfs/dbraw/zinc/32/83/89/211328389.db2.gz CCRRNIWILIZFRI-UHFFFAOYSA-N 1 1 382.468 1.622 40 0 GDABMO C[NH+]1CCN(N2CN=C3NC4(CCCCC4)n4c5ccccc5nc4N3C2)CC1 ZINC000020676442 210355000 /nfs/dbraw/zinc/35/50/00/210355000.db2.gz APSZNVMEKTWVSS-UHFFFAOYSA-N 1 1 394.527 1.812 40 0 GDABMO COc1ccc(C[N@H+](C)CC(=O)N2CCC[C@H](c3nnc4n3CCNC4)C2)cc1 ZINC000019711035 210285232 /nfs/dbraw/zinc/28/52/32/210285232.db2.gz HDGIUSJZWKYJKL-KRWDZBQOSA-N 1 1 398.511 1.228 40 0 GDABMO COc1ccc(C[N@@H+](C)CC(=O)N2CCC[C@H](c3nnc4n3CCNC4)C2)cc1 ZINC000019711035 210285240 /nfs/dbraw/zinc/28/52/40/210285240.db2.gz HDGIUSJZWKYJKL-KRWDZBQOSA-N 1 1 398.511 1.228 40 0 GDABMO Cc1ncc(C(=O)N2CCC([C@H]3CCCC[N@@H+]3CC(=O)N(C)C)CC2)c(C)n1 ZINC000019746404 210290956 /nfs/dbraw/zinc/29/09/56/210290956.db2.gz JKEFTJUMYYRHJL-LJQANCHMSA-N 1 1 387.528 1.888 40 0 GDABMO CN(C)c1cccc(C(=O)N2CCc3nnc([C@H]4CCC[N@@H+](C)C4)n3CC2)c1 ZINC000019709487 210283747 /nfs/dbraw/zinc/28/37/47/210283747.db2.gz DTGSMETZGSTALF-KRWDZBQOSA-N 1 1 382.512 1.852 40 0 GDABMO CCCn1cc(S(=O)(=O)N2CCC[C@@H]2c2cc(C[NH+](C)C)n(C)n2)c(C)n1 ZINC000019709067 210283783 /nfs/dbraw/zinc/28/37/83/210283783.db2.gz AEWAGNPKSWMKAB-QGZVFWFLSA-N 1 1 394.545 1.922 40 0 GDABMO O=C1N[C@H]([C@@H]2CCCC[N@H+]2Cc2ccccc2)Nc2c1cnn2C1CCOCC1 ZINC000169747723 534798261 /nfs/dbraw/zinc/79/82/61/534798261.db2.gz PQYURWIRBUDGPO-SLFFLAALSA-N 1 1 395.507 1.992 40 0 GDABMO CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CC[NH+](C)CC2)cc1Cl ZINC000408616973 528585525 /nfs/dbraw/zinc/58/55/25/528585525.db2.gz BVPKINNCLKFNPR-GFCCVEGCSA-N 1 1 389.905 1.180 40 0 GDABMO COC(=O)c1cccc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C3(CN(CC(C)C)C3)C2)c1 ZINC000514288836 560033756 /nfs/dbraw/zinc/03/37/56/560033756.db2.gz FWKWSCJNGWULRZ-VQTJNVASSA-N 1 1 387.524 1.434 40 0 biogenic,in-vitro GDABMO COC(=O)c1cccc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C3(CN(CC(C)C)C3)C2)c1 ZINC000514288836 560033757 /nfs/dbraw/zinc/03/37/57/560033757.db2.gz FWKWSCJNGWULRZ-VQTJNVASSA-N 1 1 387.524 1.434 40 0 biogenic,in-vitro GDABMO COCC[NH2+][C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NCc2ccc(-c3ccccc3)cc2)[C@@H]1O ZINC000012483741 560212326 /nfs/dbraw/zinc/21/23/26/560212326.db2.gz WUELVLQEKKVLLL-CSEOROSGSA-N 1 1 384.476 1.532 40 0 biogenic,in-vitro GDABMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@H](C)O)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000105352741 570304619 /nfs/dbraw/zinc/30/46/19/570304619.db2.gz OKYSIZYDYPWQLS-YPXRLJSESA-N 1 1 391.855 1.240 40 0 GDABMO O[C@@]1(CN2CCOCC2)CC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000257317560 570487335 /nfs/dbraw/zinc/48/73/35/570487335.db2.gz VKGNQTXYRLDYRQ-JOCHJYFZSA-N 1 1 383.492 1.930 40 0 GDABMO CCC[C@H](c1nnnn1Cc1ccc2c(c1)OCO2)[NH+]1CCC(C(N)=O)CC1 ZINC000004874483 570641726 /nfs/dbraw/zinc/64/17/26/570641726.db2.gz RBKFSXIMBGUETN-OAHLLOKOSA-N 1 1 386.456 1.489 40 0 GDABMO CCOC(=O)[C@@]12C[N@@H+](CCN(C)C)C[C@@H]1CN(C(=O)c1conc1C)CCC2 ZINC000585108062 570939816 /nfs/dbraw/zinc/93/98/16/570939816.db2.gz KGDHLGBJOJNPNK-UZLBHIALSA-N 1 1 392.500 1.262 40 0 GDABMO CCOC(=O)[C@@]12CN(CC[NH+](C)C)C[C@@H]1CN(C(=O)c1conc1C)CCC2 ZINC000585108062 570939817 /nfs/dbraw/zinc/93/98/17/570939817.db2.gz KGDHLGBJOJNPNK-UZLBHIALSA-N 1 1 392.500 1.262 40 0 GDABMO CC[NH+]1CCN(CC2=C(C(=O)OC)[C@@H](c3cc(C)ccc3C)NC(=O)N2)CC1 ZINC000020029435 570940167 /nfs/dbraw/zinc/94/01/67/570940167.db2.gz MNODTTCUCCHKOF-LJQANCHMSA-N 1 1 386.496 1.722 40 0 GDABMO Cc1noc(CC(=O)N2CCOC[C@]3(CC[N@@H+](Cc4cccs4)C3)C2)n1 ZINC000585113573 570944239 /nfs/dbraw/zinc/94/42/39/570944239.db2.gz XLUXSTDOLOYKPX-SFHVURJKSA-N 1 1 376.482 1.733 40 0 GDABMO CC(C)Cc1cc(C(=O)NCC[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)[nH]n1 ZINC000524732146 570980114 /nfs/dbraw/zinc/98/01/14/570980114.db2.gz ZFQKFSORUCJHFA-JKSUJKDBSA-N 1 1 383.496 1.619 40 0 GDABMO CC(=O)N1c2ccc([C@@H](O)C[NH+]3CCN(c4cnccn4)CC3)cc2C[C@H]1C ZINC000019497798 210252219 /nfs/dbraw/zinc/25/22/19/210252219.db2.gz FGLKLXUXSWAZKH-QRWLVFNGSA-N 1 1 381.480 1.630 40 0 GDABMO C[C@H](NC(=O)Cc1cccc(Cl)c1)c1cc(=O)[nH]c(N2CC[NH+](C)CC2)n1 ZINC000019458374 210250742 /nfs/dbraw/zinc/25/07/42/210250742.db2.gz BFDPPBHXQBSLOG-ZDUSSCGKSA-N 1 1 389.887 1.595 40 0 GDABMO Cc1[nH+]ccn1CC1(O)CCN(C(=O)CCn2c(=O)oc3ccccc32)CC1 ZINC000019287860 210238071 /nfs/dbraw/zinc/23/80/71/210238071.db2.gz ODYJCCNZJVZEMI-UHFFFAOYSA-N 1 1 384.436 1.543 40 0 GDABMO CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-]CCC[N@H+]2CCC[C@H](C)C2)s1 ZINC000260846731 531093077 /nfs/dbraw/zinc/09/30/77/531093077.db2.gz YLGFCXHVUIBZSE-LBPRGKRZSA-N 1 1 389.547 1.533 40 0 GDABMO CC(C)C(=O)Nc1nnc(S(=O)(=O)NCCC[N@H+]2CCC[C@H](C)C2)s1 ZINC000260846731 531093080 /nfs/dbraw/zinc/09/30/80/531093080.db2.gz YLGFCXHVUIBZSE-LBPRGKRZSA-N 1 1 389.547 1.533 40 0 GDABMO CS(=O)(=O)N1C[C@]2(CC[N@H+](Cc3ccc4c(c3)OCO4)C2)c2ncccc21 ZINC000306130697 212048651 /nfs/dbraw/zinc/04/86/51/212048651.db2.gz JNCVIXOXDIHQIS-LJQANCHMSA-N 1 1 387.461 1.734 40 0 GDABMO CS(=O)(=O)N1C[C@]2(CC[N@@H+](Cc3ccc4c(c3)OCO4)C2)c2ncccc21 ZINC000306130697 212048655 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1.129 40 0 GDABMO COc1c(C)cccc1C(=O)NCCn1nc([C@H]2CC[N@@H+](C)C2)c2nccnc21 ZINC000072391675 211109640 /nfs/dbraw/zinc/10/96/40/211109640.db2.gz AEKZMDWQOACGAD-HNNXBMFYSA-N 1 1 394.479 1.992 40 0 GDABMO COc1ccc(CN2C(=O)C[C@H]([NH+]3CCC(C(=O)N4CCCC4)CC3)C2=O)cc1 ZINC000020248623 210323781 /nfs/dbraw/zinc/32/37/81/210323781.db2.gz NCXITAFRIBMBHH-IBGZPJMESA-N 1 1 399.491 1.657 40 0 GDABMO c1c(CC2([NH2+]Cc3ccc4c(c3)OCO4)COC2)noc1CN1CCOCC1 ZINC000067898406 210332980 /nfs/dbraw/zinc/33/29/80/210332980.db2.gz KCUOLVUPSBSQDP-UHFFFAOYSA-N 1 1 387.436 1.337 40 0 biogenic,in-vitro GDABMO C[N@H+]1CCC[C@@H](NC(=O)c2cccn(CC(=O)Nc3ccc(F)cc3)c2=O)C1 ZINC000019749992 210293653 /nfs/dbraw/zinc/29/36/53/210293653.db2.gz MZPHFKKMRZPVSD-MRXNPFEDSA-N 1 1 386.427 1.450 40 0 GDABMO CC[C@H]1C(=O)NCCN1C(=O)Cn1c(C[NH+]2CCCCC2)nc2ccccc21 ZINC000019714627 210286869 /nfs/dbraw/zinc/28/68/69/210286869.db2.gz TWKMRRIKZKWXJZ-KRWDZBQOSA-N 1 1 383.496 1.759 40 0 GDABMO O=C(C[NH+]1CCC(Oc2cnccn2)CC1)N1CCN(c2ccccn2)CC1 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DIRITEQKSBYVHE-PKOBYXMFSA-N 1 1 399.539 1.962 40 0 GDABMO Cc1[nH+]ccn1-c1cccc([C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 ZINC000072379243 211108476 /nfs/dbraw/zinc/10/84/76/211108476.db2.gz KLKUQILNLKYHOJ-HNNXBMFYSA-N 1 1 386.481 1.878 40 0 GDABMO C[NH+]1CCN(CC(=O)N2CCC(c3ncncc3-c3ccncc3)CC2)CC1 ZINC000072389425 211107293 /nfs/dbraw/zinc/10/72/93/211107293.db2.gz LBMOXGJZODMEFX-UHFFFAOYSA-N 1 1 380.496 1.492 40 0 GDABMO CC(C)c1cc(C(=O)NCC[N@@H+](C)C2CCCC2)c2c(=O)[nH]c(=O)n(C)c2n1 ZINC000019714763 210286756 /nfs/dbraw/zinc/28/67/56/210286756.db2.gz MEUKTBZFJHKHEO-UHFFFAOYSA-N 1 1 387.484 1.349 40 0 GDABMO COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nnc3n2CC[N@H+](C)CC3)cc1 ZINC000019710736 210286885 /nfs/dbraw/zinc/28/68/85/210286885.db2.gz RQFWZKBCRDXGFO-MRXNPFEDSA-N 1 1 391.497 1.300 40 0 GDABMO CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[NH+](CC)CC2)cc1C ZINC000408617327 528583245 /nfs/dbraw/zinc/58/32/45/528583245.db2.gz COQYBIMATVFTNC-HNNXBMFYSA-N 1 1 383.514 1.225 40 0 GDABMO 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COc1cccc(N2CCC(O)(CN3C[C@H]4CCC[N@H+]4C[C@@H]3CCO)CC2)c1 ZINC000585282236 570250040 /nfs/dbraw/zinc/25/00/40/570250040.db2.gz CCKGRZLSPLJIMF-UXHICEINSA-N 1 1 389.540 1.558 40 0 GDABMO C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000041778688 570293741 /nfs/dbraw/zinc/29/37/41/570293741.db2.gz LUNFYACMXFIPIO-QGZVFWFLSA-N 1 1 387.505 1.698 40 0 GDABMO Cn1cnc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccco4)[C@@H]3C2)c1 ZINC000248128797 570721022 /nfs/dbraw/zinc/72/10/22/570721022.db2.gz PRSAGFLWOVQIAT-USXIJHARSA-N 1 1 378.498 1.934 40 0 GDABMO Cc1ccc(OCC(=O)N2CCC3(CO[C@@H](C[N@H+]4CC[C@@H](O)C4)C3)CC2)cc1 ZINC000585103706 570929212 /nfs/dbraw/zinc/92/92/12/570929212.db2.gz IMJMRRACUZVVJM-UYAOXDASSA-N 1 1 388.508 1.838 40 0 GDABMO Cn1ncnc1C(=O)N1CCC2(CO[C@H](C[N@@H+](C)Cc3cccnc3)C2)CC1 ZINC000585103979 570929744 /nfs/dbraw/zinc/92/97/44/570929744.db2.gz KDZRJLKYRBBADP-KRWDZBQOSA-N 1 1 384.484 1.353 40 0 GDABMO CN(C)C(=O)C[N@@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)CC3CCOCC3)[C@H]2C1 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C[NH+]1CCN(C(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)CC1 ZINC000113965684 211468723 /nfs/dbraw/zinc/46/87/23/211468723.db2.gz PNEURUQDGMTTCG-UHFFFAOYSA-N 1 1 375.441 1.285 40 0 GDABMO COc1ccc(NC(=O)c2ccc3nnc([C@@H]4C[N@H+](C)CCN4C)n3c2)cc1 ZINC000096267983 211328731 /nfs/dbraw/zinc/32/87/31/211328731.db2.gz KUZFVKNGMOCKOW-KRWDZBQOSA-N 1 1 380.452 1.909 40 0 GDABMO COc1ccc(NC(=O)c2ccc3nnc([C@@H]4C[N@@H+](C)CCN4C)n3c2)cc1 ZINC000096267983 211328736 /nfs/dbraw/zinc/32/87/36/211328736.db2.gz KUZFVKNGMOCKOW-KRWDZBQOSA-N 1 1 380.452 1.909 40 0 GDABMO COc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)NC(C)C)cc1 ZINC000096250941 211325165 /nfs/dbraw/zinc/32/51/65/211325165.db2.gz ITYXJHCBAVXOCY-RCCFBDPRSA-N 1 1 380.510 1.455 40 0 GDABMO COc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)NC(C)C)cc1 ZINC000096250941 211325170 /nfs/dbraw/zinc/32/51/70/211325170.db2.gz ITYXJHCBAVXOCY-RCCFBDPRSA-N 1 1 380.510 1.455 40 0 GDABMO COCC[N@@H+](C)C[C@@H]1CO[C@@]2(C1)CCCN(C(=O)CCc1cccnc1)C2 ZINC000096228495 211321836 /nfs/dbraw/zinc/32/18/36/211321836.db2.gz FEFKLYICLADAHV-TZIWHRDSSA-N 1 1 375.513 1.990 40 0 GDABMO COCC(=O)N1CCC2(C[C@H](CC(=O)N3CC[NH+](C)CC3)c3ccccc32)CC1 ZINC000096052964 211296303 /nfs/dbraw/zinc/29/63/03/211296303.db2.gz ZPRSMDMPXOKJNP-SFHVURJKSA-N 1 1 399.535 1.845 40 0 GDABMO CCN1CC[C@]2(CN(S(C)(=O)=O)CC23CC[NH+](Cc2ccoc2)CC3)C1=O ZINC000096036526 211295133 /nfs/dbraw/zinc/29/51/33/211295133.db2.gz CRBNUHVLPDNVMS-IBGZPJMESA-N 1 1 395.525 1.376 40 0 GDABMO CC[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(S(C)(=O)=O)CC3 ZINC000096143896 211307612 /nfs/dbraw/zinc/30/76/12/211307612.db2.gz HOAKAJOJSJHVMT-QFBILLFUSA-N 1 1 383.558 1.383 40 0 GDABMO COC[C@H]1CN(C(=O)c2ccc(=O)n(C)n2)CC[N@@H+](CCc2ccccc2)C1 ZINC000072354520 211099136 /nfs/dbraw/zinc/09/91/36/211099136.db2.gz OSWFSTNRMVKNNW-GOSISDBHSA-N 1 1 384.480 1.043 40 0 GDABMO COc1cc2c(cc1C[N@H+]1CCC[C@@H](c3nnc4n3CCNC4)C1)OCCO2 ZINC000019711016 210286055 /nfs/dbraw/zinc/28/60/55/210286055.db2.gz 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KGPIZTSFFZVSIR-HUUCEWRRSA-N 1 1 384.480 1.950 40 0 GDABMO CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[NH+](C)CC2)cc1Cl ZINC000408616975 528583615 /nfs/dbraw/zinc/58/36/15/528583615.db2.gz BVPKINNCLKFNPR-LBPRGKRZSA-N 1 1 389.905 1.180 40 0 GDABMO O=C(c1cccnc1)N1CC2(C1)C[N@H+](CCc1ccccc1)C[C@@H]1C[C@@H](O)CN12 ZINC000514290130 560030632 /nfs/dbraw/zinc/03/06/32/560030632.db2.gz UEIYPHGPDOYNBD-LEWJYISDSA-N 1 1 392.503 1.270 40 0 biogenic,in-vitro GDABMO CC(=O)N1CCC([N@@H+]2C[C@@H]3[C@H](C2)OCC(=O)N3Cc2ccc(F)cc2)CC1 ZINC000067897198 560050261 /nfs/dbraw/zinc/05/02/61/560050261.db2.gz ADXKXXIPJMTVPE-MOPGFXCFSA-N 1 1 375.444 1.248 40 0 biogenic,in-vitro GDABMO C[N@@H+](CCO)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)c1ccccc1 ZINC000585262359 570230127 /nfs/dbraw/zinc/23/01/27/570230127.db2.gz YLNDDDHPFGSBSF-ZRNYENFQSA-N 1 1 388.439 1.429 40 0 GDABMO C[N@@H+](CCO)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)C[C@H]1NC(=O)c1ccc(F)cc1 ZINC000585262408 570230605 /nfs/dbraw/zinc/23/06/05/570230605.db2.gz 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O[C@H]1CN(Cc2cccc(OCC[NH+]3CCCCC3)c2)C[C@@H]1N1CCOCC1 ZINC000257295001 570488966 /nfs/dbraw/zinc/48/89/66/570488966.db2.gz QWOJZFNXLGOAAI-VXKWHMMOSA-N 1 1 389.540 1.429 40 0 GDABMO COc1cc([C@H]2C(C(=O)N3CC[NH+](C)CC3)=C(C)Nc3ncnn32)ccc1O ZINC000054672252 570678160 /nfs/dbraw/zinc/67/81/60/570678160.db2.gz PSKZIVMGRXSCLN-KRWDZBQOSA-N 1 1 384.440 1.055 40 0 GDABMO Cc1cccc2cc([C@@H](c3nnnn3C(C)C)N3CC[NH+](C)CC3)c(=O)[nH]c12 ZINC000019236413 570924232 /nfs/dbraw/zinc/92/42/32/570924232.db2.gz MBPHWZNOZOOJQX-SFHVURJKSA-N 1 1 381.484 1.741 40 0 GDABMO O=C(Cn1nnc(-c2ccc(C[NH+]3CCOCC3)cc2)n1)NC1CCCCC1 ZINC000019334309 570925386 /nfs/dbraw/zinc/92/53/86/570925386.db2.gz RZODHAHFOIQXML-UHFFFAOYSA-N 1 1 384.484 1.621 40 0 GDABMO Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@H](C[N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000585103762 570928980 /nfs/dbraw/zinc/92/89/80/570928980.db2.gz JAIUJKVTWMACMO-MSOLQXFVSA-N 1 1 394.537 1.621 40 0 GDABMO COc1ccc(C)cc1NC(=O)CN1CC[N@H+](Cc2ccccc2)C[C@@H]1C(N)=O ZINC000585183504 571000671 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387.480 1.867 40 0 GDABMO Cn1cc(C[N@@H+]2C[C@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)cn1 ZINC000306134696 212050505 /nfs/dbraw/zinc/05/05/05/212050505.db2.gz NVMDDZNVWYIOFW-MSOLQXFVSA-N 1 1 391.479 1.246 40 0 GDABMO O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@@]21CC[N@@H+](Cc2ccccn2)C1 ZINC000306129330 212046884 /nfs/dbraw/zinc/04/68/84/212046884.db2.gz IAVYLZLJLPUTES-HXUWFJFHSA-N 1 1 395.488 1.457 40 0 GDABMO CN1CC[N@H+](C)C[C@@H]1c1nnc2ccc(C(=O)NCCc3ccccn3)cn21 ZINC000306132797 212049544 /nfs/dbraw/zinc/04/95/44/212049544.db2.gz LSFHHRPSFNMEPN-QGZVFWFLSA-N 1 1 379.468 1.015 40 0 GDABMO CN1CC[N@@H+](C)C[C@@H]1c1nnc2ccc(C(=O)NCCc3ccccn3)cn21 ZINC000306132797 212049547 /nfs/dbraw/zinc/04/95/47/212049547.db2.gz LSFHHRPSFNMEPN-QGZVFWFLSA-N 1 1 379.468 1.015 40 0 GDABMO CC(C)Cn1nc2n(c(=O)c1=O)C[C@@]1(CC[N@@H+](Cc3cccc(F)c3)C1)OC2 ZINC000306128751 212047654 /nfs/dbraw/zinc/04/76/54/212047654.db2.gz HJMVZXKVURSTBD-FQEVSTJZSA-N 1 1 388.443 1.375 40 0 GDABMO O=C(c1ccc(=O)[nH]n1)N1CCC[C@@](O)(C[N@H+]2CCc3ccccc3C2)CC1 ZINC000257305846 212021512 /nfs/dbraw/zinc/02/15/12/212021512.db2.gz SRUXOAQIXQADIP-NRFANRHFSA-N 1 1 382.464 1.185 40 0 GDABMO CN(C(=O)c1cc(-c2ccccc2F)n[nH]1)[C@@H]1CC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257238650 212009571 /nfs/dbraw/zinc/00/95/71/212009571.db2.gz HLXVKYGVGHLJDR-GUDVDZBRSA-N 1 1 388.443 1.512 40 0 GDABMO Cc1cc2[nH]c(CC(=O)N3CC[C@H](O)[C@@H]([NH+]4CCOCC4)CC3)nc2c(C)c1 ZINC000257223171 212004885 /nfs/dbraw/zinc/00/48/85/212004885.db2.gz DWFZEUCECCWASZ-ROUUACIJSA-N 1 1 386.496 1.406 40 0 GDABMO CN(C)C(=O)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@H+](Cc1nccs1)CCC2 ZINC000096056102 211297625 /nfs/dbraw/zinc/29/76/25/211297625.db2.gz UHSAHDXETPWFIR-KXBFYZLASA-N 1 1 386.525 1.740 40 0 GDABMO CN(C)C(=O)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](Cc1nccs1)CCC2 ZINC000096056102 211297630 /nfs/dbraw/zinc/29/76/30/211297630.db2.gz UHSAHDXETPWFIR-KXBFYZLASA-N 1 1 386.525 1.740 40 0 GDABMO 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COc1ccccc1CC(=O)NCCn1nc([C@@H]2CC[N@@H+](C)C2)c2nccnc21 ZINC000072391649 222249187 /nfs/dbraw/zinc/24/91/87/222249187.db2.gz RQJQLLUEQVRJFW-MRXNPFEDSA-N 1 1 394.479 1.613 40 0 GDABMO CCN1CC[C@@]2(C[N@H+](CCOC)CC23CCN(Cc2cnn(C)c2)CC3)C1=O ZINC000096036421 222373626 /nfs/dbraw/zinc/37/36/26/222373626.db2.gz UWNSJWVWYSRTTP-OAQYLSRUSA-N 1 1 389.544 1.203 40 0 GDABMO CCN1CC[C@@]2(C[N@@H+](CCOC)CC23CCN(Cc2cnn(C)c2)CC3)C1=O ZINC000096036421 222373628 /nfs/dbraw/zinc/37/36/28/222373628.db2.gz UWNSJWVWYSRTTP-OAQYLSRUSA-N 1 1 389.544 1.203 40 0 GDABMO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@H](C)O)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000105351398 528451544 /nfs/dbraw/zinc/45/15/44/528451544.db2.gz BZLKJYIKRHGNSB-FMAVKZBASA-N 1 1 391.855 1.241 40 0 GDABMO O=C(NC1CC1)[C@H]1O[C@H](CCN2CC[NH+](Cc3ccccc3)CC2)CC[C@@H]1O ZINC000030878687 560090049 /nfs/dbraw/zinc/09/00/49/560090049.db2.gz JAZDYTPFLXRZDQ-ACRUOGEOSA-N 1 1 387.524 1.381 40 0 biogenic,in-vitro GDABMO 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O[C@@H]1C[C@H]2C[N@@H+](CCc3ccccc3)CC3(CN(Cc4cccnc4)C3)N2C1 ZINC000514288786 570492920 /nfs/dbraw/zinc/49/29/20/570492920.db2.gz DZJPLLWGMBUKRU-FCHUYYIVSA-N 1 1 378.520 1.630 40 0 biogenic,in-vitro GDABMO CC(C)C(=O)N1CCc2cc([C@@H](O)C[NH+]3CCN(c4cnccn4)CC3)ccc21 ZINC000036741263 570569410 /nfs/dbraw/zinc/56/94/10/570569410.db2.gz IKMKWWQZKXUGGH-FQEVSTJZSA-N 1 1 395.507 1.877 40 0 GDABMO COc1ccc(S[C@@H](C)C(=O)NCCC[NH+]2CCN(C)CC2)cc1OC ZINC000038753573 570581734 /nfs/dbraw/zinc/58/17/34/570581734.db2.gz IZNWBJINUBTUDO-HNNXBMFYSA-N 1 1 381.542 1.938 40 0 GDABMO Cc1nc2ccccc2n1CCCC(=O)N[C@@H]1CC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257204384 570760715 /nfs/dbraw/zinc/76/07/15/570760715.db2.gz AUHSVGBWTJEASJ-YFVAEKQCSA-N 1 1 386.496 1.465 40 0 GDABMO CC(C)c1nc2cc(C(=O)N3CC[C@H](O)[C@@H]([NH+]4CCOCC4)CC3)ccc2[nH]1 ZINC000257276567 570774297 /nfs/dbraw/zinc/77/42/97/570774297.db2.gz NUHZYPYSQLIORE-OALUTQOASA-N 1 1 386.496 1.984 40 0 GDABMO C[N@@H+](CCO)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)OC(C)(C)C ZINC000257277100 570774363 /nfs/dbraw/zinc/77/43/63/570774363.db2.gz NWJQRUZBMWSACL-NCOADZHNSA-N 1 1 384.448 1.524 40 0 GDABMO CNc1cc(CN(C)S(=O)(=O)c2c(C)noc2C)nc([C@H]2CCC[N@@H+]2C)n1 ZINC000019759952 570899393 /nfs/dbraw/zinc/89/93/93/570899393.db2.gz LECDQZOFNZPSEI-CQSZACIVSA-N 1 1 394.501 1.711 40 0 GDABMO CNc1cc(CN(C)S(=O)(=O)c2c(C)noc2C)nc([C@H]2CCC[N@H+]2C)n1 ZINC000019759952 570899397 /nfs/dbraw/zinc/89/93/97/570899397.db2.gz LECDQZOFNZPSEI-CQSZACIVSA-N 1 1 394.501 1.711 40 0 GDABMO CN(C[C@H]1CC[C@H](c2cc(C[NH+](C)C)n(C)n2)CC1)C(=O)CN1CCCC1=O ZINC000257298220 570903950 /nfs/dbraw/zinc/90/39/50/570903950.db2.gz RKRJUYGCUDLAFB-QAQDUYKDSA-N 1 1 389.544 1.836 40 0 GDABMO CN1Cc2nnc(C(=O)NC3CCC3)n2C[C@@]12CC[N@@H+](Cc1ccsc1)C2 ZINC000306126394 570936749 /nfs/dbraw/zinc/93/67/49/570936749.db2.gz DUMCFBBHJSKWDF-IBGZPJMESA-N 1 1 386.525 1.712 40 0 GDABMO O=c1c(=O)n(Cc2ccccc2)nc2n1C[C@@]1(CC[N@@H+](Cc3ccccn3)C1)C2 ZINC000306129991 570938405 /nfs/dbraw/zinc/93/84/05/570938405.db2.gz ITIDZJGWINBXOF-QFIPXVFZSA-N 1 1 389.459 1.297 40 0 GDABMO Cc1nc(COC[C@@H]2CC[N@@H+](C)C3(CN(C(=O)c4cnccn4)C3)C2)cs1 ZINC000306129974 570938502 /nfs/dbraw/zinc/93/85/02/570938502.db2.gz ISZXSYSNENSYJI-OAHLLOKOSA-N 1 1 387.509 1.995 40 0 GDABMO Cc1nc(COC[C@@H]2CC[N@H+](C)C3(CN(C(=O)c4cnccn4)C3)C2)cs1 ZINC000306129974 570938506 /nfs/dbraw/zinc/93/85/06/570938506.db2.gz ISZXSYSNENSYJI-OAHLLOKOSA-N 1 1 387.509 1.995 40 0 GDABMO O=c1c(=O)n(C2CCCC2)nc2n1C[C@]1(CC[N@@H+](Cc3cccs3)C1)OC2 ZINC000306135700 570941920 /nfs/dbraw/zinc/94/19/20/570941920.db2.gz OYAPDZFROAXFET-LJQANCHMSA-N 1 1 388.493 1.757 40 0 GDABMO Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CC[N@@H+](Cc3ccoc3)C2)cs1 ZINC000306139353 570944165 /nfs/dbraw/zinc/94/41/65/570944165.db2.gz SVBSNUIEAULZLK-IBGZPJMESA-N 1 1 399.476 1.359 40 0 GDABMO Cc1[nH+]cc(CN2CCN(c3ccccc3[C@H](O)c3nccn3C)CC2)n1C ZINC000019287338 570970168 /nfs/dbraw/zinc/97/01/68/570970168.db2.gz RUXVBCBENDMLSL-FQEVSTJZSA-N 1 1 380.496 1.866 40 0 GDABMO CC(C)OCC[NH+]1CCN(C(=O)CN2C(=O)COc3c(Cl)cccc32)CC1 ZINC000019450446 570984790 /nfs/dbraw/zinc/98/47/90/570984790.db2.gz ONTUYLXQUODSQW-UHFFFAOYSA-N 1 1 395.887 1.635 40 0 GDABMO C=Cn1ncc(C[N@H+]2CCC[C@@H](c3cc(=O)[nH]c(N4CCOCC4)n3)C2)c1C ZINC000019554360 571002557 /nfs/dbraw/zinc/00/25/57/571002557.db2.gz SVAWYHZVUHTGOL-MRXNPFEDSA-N 1 1 384.484 1.592 40 0 GDABMO NC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@H](COc3ccc(F)cc3)C2)CC1 ZINC000019659229 571024946 /nfs/dbraw/zinc/02/49/46/571024946.db2.gz KHSMCWXMXRENTP-HNNXBMFYSA-N 1 1 377.460 1.640 40 0 GDABMO CN1CC[NH+](CCCNC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)CC1 ZINC000030856116 530600748 /nfs/dbraw/zinc/60/07/48/530600748.db2.gz KGTHAGINFZKRTC-UHFFFAOYSA-N 1 1 388.921 1.079 40 0 GDABMO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC(n3nnc4ccccc4c3=O)CC2)C1 ZINC000012145973 221159320 /nfs/dbraw/zinc/15/93/20/221159320.db2.gz NLOCGZPIGJTEKI-IYBDPMFKSA-N 1 1 383.496 1.933 40 0 GDABMO C[NH+]1CCN(c2nccc(CN3CCN(C(=O)c4cccc(F)c4)CC3)n2)CC1 ZINC000012185126 221164495 /nfs/dbraw/zinc/16/44/95/221164495.db2.gz CFCUVINGHHQWOM-UHFFFAOYSA-N 1 1 398.486 1.326 40 0 GDABMO Cc1cc2c(nc3n(c2=O)CCN(C(=O)[C@H](C)Cn2cc[nH+]c2C)CC3)s1 ZINC000012221532 221169708 /nfs/dbraw/zinc/16/97/08/221169708.db2.gz MJYNJSHMZVYDPV-GFCCVEGCSA-N 1 1 385.493 1.992 40 0 GDABMO COc1ccccc1C[N@H+]1CC[C@@H](c2nn(CCNC(C)=O)c3nccnc23)C1 ZINC000019021591 221394589 /nfs/dbraw/zinc/39/45/89/221394589.db2.gz ISGJSVWXGXCFLJ-QGZVFWFLSA-N 1 1 394.479 1.961 40 0 GDABMO Cc1nn(CC(=O)NCCC[N@@H+]2CCC[C@H](C)C2)c(=O)c2cc3occc3n21 ZINC000072346388 222233004 /nfs/dbraw/zinc/23/30/04/222233004.db2.gz HEWKCTYGRPLBMV-AWEZNQCLSA-N 1 1 385.468 1.789 40 0 GDABMO CNc1ncccc1C[N@H+]1CCC[C@H](c2cc(C(=O)N3CCOCC3)[nH]n2)C1 ZINC000072380634 222244548 /nfs/dbraw/zinc/24/45/48/222244548.db2.gz RDCXKDSTRQDHGX-HNNXBMFYSA-N 1 1 384.484 1.698 40 0 GDABMO COc1cccc(CC(=O)NCCn2nc([C@H]3CC[N@@H+](C)C3)c3nccnc32)c1 ZINC000072391646 222248803 /nfs/dbraw/zinc/24/88/03/222248803.db2.gz SCQMNLQFUQGMFN-INIZCTEOSA-N 1 1 394.479 1.613 40 0 GDABMO O=C(C1CCC1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccnc2)CC3)C1 ZINC000072399141 222254149 /nfs/dbraw/zinc/25/41/49/222254149.db2.gz KYSIECJGBDIUOD-QGZVFWFLSA-N 1 1 393.491 1.839 40 0 GDABMO O=C(C1CCC1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccnc2)CC3)C1 ZINC000072399141 222254153 /nfs/dbraw/zinc/25/41/53/222254153.db2.gz KYSIECJGBDIUOD-QGZVFWFLSA-N 1 1 393.491 1.839 40 0 GDABMO CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CC[N@@H+](Cc1ccc(C)s1)C2 ZINC000096230558 570221807 /nfs/dbraw/zinc/22/18/07/570221807.db2.gz TXQBZPKGFBEWOI-IBGZPJMESA-N 1 1 387.509 1.630 40 0 GDABMO O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)NCCC[NH+]1CCOCC1 ZINC000019937720 570232027 /nfs/dbraw/zinc/23/20/27/570232027.db2.gz VXODPXILPXUJGH-UHFFFAOYSA-N 1 1 390.871 1.471 40 0 GDABMO COCC(=O)N1CC[N@H+](C2CCC2)C[C@@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585281802 570247961 /nfs/dbraw/zinc/24/79/61/570247961.db2.gz AXFVFKBQVTUADE-NRFANRHFSA-N 1 1 376.497 1.756 40 0 GDABMO C[N@@H+](CCc1ccccn1)C[C@@]1(O)CCN(C(=O)CCc2ccccc2)C[C@@H]1O ZINC000585285661 570255117 /nfs/dbraw/zinc/25/51/17/570255117.db2.gz ROGGIZIUJNOGJX-GMAHTHKFSA-N 1 1 397.519 1.513 40 0 GDABMO CCOc1cccc2c(C)nc(NC3=NCN(N4CC[NH+](C)CC4)CN3)nc12 ZINC000020634421 570273519 /nfs/dbraw/zinc/27/35/19/570273519.db2.gz PXHRBVSOWHVGGI-UHFFFAOYSA-N 1 1 384.488 1.087 40 0 GDABMO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCN(C(C)=O)[C@H](C(=O)N(C)C)C2)cc1 ZINC000257320528 570781405 /nfs/dbraw/zinc/78/14/05/570781405.db2.gz VXFBCIDOFFJELI-SFHVURJKSA-N 1 1 385.468 1.206 40 0 GDABMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCN(C(C)=O)[C@H](C(=O)N(C)C)C2)cc1 ZINC000257320528 570781408 /nfs/dbraw/zinc/78/14/08/570781408.db2.gz VXFBCIDOFFJELI-SFHVURJKSA-N 1 1 385.468 1.206 40 0 GDABMO CCn1c(CCC(=O)N[C@@H]2CC[C@@H]([NH+]3CCOCC3)[C@@H]2O)nc2ccccc21 ZINC000257330220 570782571 /nfs/dbraw/zinc/78/25/71/570782571.db2.gz XNKSBRCSSBNBFH-HGHGUNKESA-N 1 1 386.496 1.329 40 0 GDABMO CCn1cc(C[N@@H+]2CCC[C@]3(CCC(=O)N3CCS(C)(=O)=O)CC2)cn1 ZINC000585100583 570924643 /nfs/dbraw/zinc/92/46/43/570924643.db2.gz OPQBZNOZCJJVBL-SFHVURJKSA-N 1 1 382.530 1.295 40 0 GDABMO CCn1cc(C[N@H+]2CCC[C@]3(CCC(=O)N3CCS(C)(=O)=O)CC2)cn1 ZINC000585100583 570924646 /nfs/dbraw/zinc/92/46/46/570924646.db2.gz OPQBZNOZCJJVBL-SFHVURJKSA-N 1 1 382.530 1.295 40 0 GDABMO C[NH+]1CCN([C@H](c2nnnn2C[C@H]2CCCO2)c2ccccc2Cl)CC1 ZINC000019589923 570927836 /nfs/dbraw/zinc/92/78/36/570927836.db2.gz MTINKQLSXRCJHF-PBHICJAKSA-N 1 1 376.892 1.842 40 0 GDABMO CCC[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc3c(c2)CCO3)CC1 ZINC000585106067 570935745 /nfs/dbraw/zinc/93/57/45/570935745.db2.gz IVBDRKAXQRZPJU-MSOLQXFVSA-N 1 1 383.492 1.684 40 0 GDABMO Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@H]2C[N@H+](Cc4cccnc4)C[C@@H]32)cc1 ZINC000306123741 570935969 /nfs/dbraw/zinc/93/59/69/570935969.db2.gz AVCSKQHIGXZHDQ-RTBURBONSA-N 1 1 389.459 1.386 40 0 GDABMO CCCC[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000585106214 570936482 /nfs/dbraw/zinc/93/64/82/570936482.db2.gz DSUZWDQUHKSPJD-MSOLQXFVSA-N 1 1 391.537 1.688 40 0 GDABMO Cn1cc(C[N@H+]2C[C@@H]3Cn4c(nnc4C(=O)Nc4ccccc4)C[C@@H]3C2)cn1 ZINC000306128620 570938115 /nfs/dbraw/zinc/93/81/15/570938115.db2.gz HGFQTYSPSDPNDI-HZPDHXFCSA-N 1 1 377.452 1.568 40 0 GDABMO O=c1c(=O)n2c(nn1CC1CC1)CO[C@@]1(CC[N@@H+](Cc3ccccc3F)C1)C2 ZINC000306128933 570938520 /nfs/dbraw/zinc/93/85/20/570938520.db2.gz HOQVPGHCVADUCD-HXUWFJFHSA-N 1 1 386.427 1.129 40 0 GDABMO O=c1c(=O)n2c(nn1CC1CC1)CO[C@@]1(CC[N@H+](Cc3ccccc3F)C1)C2 ZINC000306128933 570938523 /nfs/dbraw/zinc/93/85/23/570938523.db2.gz HOQVPGHCVADUCD-HXUWFJFHSA-N 1 1 386.427 1.129 40 0 GDABMO COc1ncccc1C[N@H+]1CC[C@]2(C1)CCn1ncnc1[C@@H]2NC(=O)C1CC1 ZINC000306136042 570942716 /nfs/dbraw/zinc/94/27/16/570942716.db2.gz PHGVPQZLLLBVCW-OXJNMPFZSA-N 1 1 382.468 1.545 40 0 GDABMO Cc1noc(CC(=O)N2CCOC[C@@]3(CC[N@@H+](Cc4cccs4)C3)C2)n1 ZINC000585113572 570944025 /nfs/dbraw/zinc/94/40/25/570944025.db2.gz XLUXSTDOLOYKPX-GOSISDBHSA-N 1 1 376.482 1.733 40 0 GDABMO Cc1[nH+]ccn1CC1(O)CCN(C(=O)c2ccccc2CN2CCOCC2)CC1 ZINC000019287907 570970551 /nfs/dbraw/zinc/97/05/51/570970551.db2.gz TXMIFYLVMMDFSH-UHFFFAOYSA-N 1 1 398.507 1.691 40 0 GDABMO COCC[NH+]1CCN(c2c3c(nc4cc(-c5nccn5C)nn42)CCCC3)CC1 ZINC000019291786 570972416 /nfs/dbraw/zinc/97/24/16/570972416.db2.gz IZIDHDXHKXNQCO-UHFFFAOYSA-N 1 1 395.511 1.777 40 0 GDABMO C[C@@H](NC(=O)C1(c2cccc(F)c2)CC1)c1cc(=O)[nH]c(N2CC[NH+](C)CC2)n1 ZINC000019458356 570987847 /nfs/dbraw/zinc/98/78/47/570987847.db2.gz KFFLBYKLLHVMIC-CQSZACIVSA-N 1 1 399.470 1.570 40 0 GDABMO CC(=O)N1c2ccc([C@H](O)C[NH+]3CCN(c4cnccn4)CC3)cc2C[C@@H]1C ZINC000019497801 570990519 /nfs/dbraw/zinc/99/05/19/570990519.db2.gz FGLKLXUXSWAZKH-MGPUTAFESA-N 1 1 381.480 1.630 40 0 GDABMO CC(=O)N1c2ccc([C@@H](O)C[NH+]3CCN(c4ncccn4)CC3)cc2C[C@@H]1C ZINC000019497803 570990558 /nfs/dbraw/zinc/99/05/58/570990558.db2.gz ZQTKFYQGJZNFRJ-YWZLYKJASA-N 1 1 381.480 1.630 40 0 GDABMO CC(=O)N1C[C@H](C(=O)N(C)C)[C@@H](c2ccc(C[N@H+](C)Cc3ccnn3C)cc2)C1 ZINC000019699190 571030912 /nfs/dbraw/zinc/03/09/12/571030912.db2.gz UBMAGMKHJWJUKJ-RTWAWAEBSA-N 1 1 397.523 1.702 40 0 GDABMO CC(=O)N1C[C@H](C(=O)N(C)C)[C@@H](c2ccc(C[N@@H+](C)Cc3ccnn3C)cc2)C1 ZINC000019699190 571030915 /nfs/dbraw/zinc/03/09/15/571030915.db2.gz UBMAGMKHJWJUKJ-RTWAWAEBSA-N 1 1 397.523 1.702 40 0 GDABMO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](c2cc(C[NH+](C)C)n(C)n2)C1 ZINC000019709026 571033627 /nfs/dbraw/zinc/03/36/27/571033627.db2.gz YOEVTCLQLTUVDY-AWEZNQCLSA-N 1 1 381.502 1.655 40 0 GDABMO C[N@@H+]1CCc2nnc([C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)n2CC1 ZINC000019710739 571034781 /nfs/dbraw/zinc/03/47/81/571034781.db2.gz AZVLXSVMYSRRPL-OAHLLOKOSA-N 1 1 379.461 1.431 40 0 GDABMO Cc1cccc(N(CCCC(=O)NCCC[NH+]2CCOCC2)S(C)(=O)=O)c1 ZINC000408681265 231094588 /nfs/dbraw/zinc/09/45/88/231094588.db2.gz RESSQMAAJKPNFD-UHFFFAOYSA-N 1 1 397.541 1.380 40 0 GDABMO CC[NH+]1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CC1 ZINC000050122918 530675089 /nfs/dbraw/zinc/67/50/89/530675089.db2.gz REJXNSWIXRZSIZ-UHFFFAOYSA-N 1 1 385.917 1.902 40 0 GDABMO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@@H](C)O)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000016024964 221354521 /nfs/dbraw/zinc/35/45/21/221354521.db2.gz OKYSIZYDYPWQLS-MDOODBKZSA-N 1 1 391.855 1.240 40 0 GDABMO C[NH+]1CCN(C(=O)c2c3ccccn3c3ncnc(N4CCOCC4)c32)CC1 ZINC000096264391 136185928 /nfs/dbraw/zinc/18/59/28/136185928.db2.gz WNWJINUKHPVIGL-UHFFFAOYSA-N 1 1 380.452 1.107 40 0 GDABMO COC[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)CC[N@@H+](CCc2ccccc2)C1 ZINC000072354519 222238148 /nfs/dbraw/zinc/23/81/48/222238148.db2.gz OSWFSTNRMVKNNW-SFHVURJKSA-N 1 1 384.480 1.043 40 0 GDABMO COc1ccccc1CC(=O)NCCn1nc([C@H]2CC[N@@H+](C)C2)c2nccnc21 ZINC000072391648 222248558 /nfs/dbraw/zinc/24/85/58/222248558.db2.gz RQJQLLUEQVRJFW-INIZCTEOSA-N 1 1 394.479 1.613 40 0 GDABMO CC(=O)N1CCc2nc([C@H]3CCN(C(=O)C[C@H]4CCCC[N@@H+]4C)C3)ncc2C1 ZINC000072397282 222253346 /nfs/dbraw/zinc/25/33/46/222253346.db2.gz UUJXCAHVNAFXEI-FUHWJXTLSA-N 1 1 385.512 1.572 40 0 GDABMO CCOC(=O)[C@@]12CN(S(C)(=O)=O)C[C@@H]1C[N@@H+](Cc1ccc(F)cc1)CCC2 ZINC000096055995 222374774 /nfs/dbraw/zinc/37/47/74/222374774.db2.gz SRKSQULOEMPANW-LPHOPBHVSA-N 1 1 398.500 1.862 40 0 GDABMO CCOC(=O)[C@@]12C[N@@H+](CCN(C)C)C[C@@H]1CN(C(=O)c1ccncc1)CCC2 ZINC000096055945 222374868 /nfs/dbraw/zinc/37/48/68/222374868.db2.gz JFARKWLKOKOTAC-NQIIRXRSSA-N 1 1 388.512 1.361 40 0 GDABMO CCOC(=O)[C@@]12CN(CC[NH+](C)C)C[C@@H]1CN(C(=O)c1ccncc1)CCC2 ZINC000096055945 222374871 /nfs/dbraw/zinc/37/48/71/222374871.db2.gz JFARKWLKOKOTAC-NQIIRXRSSA-N 1 1 388.512 1.361 40 0 GDABMO CCOC(=O)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](Cc1cnn(C)c1)CCC2 ZINC000096056055 222377187 /nfs/dbraw/zinc/37/71/87/222377187.db2.gz GFAXCXBCQJWXDW-PXNSSMCTSA-N 1 1 384.484 1.492 40 0 GDABMO CCOc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000408696603 528393334 /nfs/dbraw/zinc/39/33/34/528393334.db2.gz CNAZOOYGHSSJBL-UHFFFAOYSA-N 1 1 395.525 1.648 40 0 GDABMO CC(=O)N[C@H]1CO[C@@H](C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H]1O ZINC000514289689 560032057 /nfs/dbraw/zinc/03/20/57/560032057.db2.gz YGEKOSZCSNGLJP-YESZJQIVSA-N 1 1 387.402 1.092 40 0 biogenic,in-vitro GDABMO C[N@@H+](CCc1ccccc1)C[C@@H]1OC[C@H](NS(=O)(=O)c2ccccc2)[C@H]1O ZINC000514288759 560034291 /nfs/dbraw/zinc/03/42/91/560034291.db2.gz CHMLQAGBKQDWGB-SLFFLAALSA-N 1 1 390.505 1.268 40 0 biogenic,in-vitro GDABMO COC(=O)N1c2ccccc2[C@]23[C@@H]4[N@H+]5C[C@H]2C(=O)[C@@]2(O)C[C@]4(CCC5)CC[C@]123 ZINC000004104814 560197059 /nfs/dbraw/zinc/19/70/59/560197059.db2.gz YROYAGSZNDUMIF-KYEDJVRWSA-N 1 1 380.444 1.842 40 0 biogenic,in-vitro GDABMO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(C(=O)c3cccc(Cl)c3)CC2)C1 ZINC000096239860 570222233 /nfs/dbraw/zinc/22/22/33/570222233.db2.gz ICCYDNYZNSFNLP-UHFFFAOYSA-N 1 1 393.915 1.983 40 0 GDABMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(=O)c3cccc(Cl)c3)CC2)C1 ZINC000096239860 570222234 /nfs/dbraw/zinc/22/22/34/570222234.db2.gz ICCYDNYZNSFNLP-UHFFFAOYSA-N 1 1 393.915 1.983 40 0 GDABMO C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)CN3CC[NH+](C)CC3)cc2)C1 ZINC000019941039 570232905 /nfs/dbraw/zinc/23/29/05/570232905.db2.gz IUQVDAGLMDUFKK-MRXNPFEDSA-N 1 1 394.541 1.293 40 0 GDABMO CC(=O)N1CCC([N@H+]2CCOC[C@@](O)(COc3ccc(F)c(F)c3)C2)CC1 ZINC000585280886 570249254 /nfs/dbraw/zinc/24/92/54/570249254.db2.gz BODQSMBOJUXYGT-LJQANCHMSA-N 1 1 384.423 1.418 40 0 GDABMO COc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)C2=O)cc1 ZINC000102405709 570288784 /nfs/dbraw/zinc/28/87/84/570288784.db2.gz QULVYMPHRPRJND-YJBOKZPZSA-N 1 1 385.464 1.662 40 0 GDABMO COc1ccc(N2C(=O)C[C@H]([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)C2=O)cc1 ZINC000102405709 570288785 /nfs/dbraw/zinc/28/87/85/570288785.db2.gz QULVYMPHRPRJND-YJBOKZPZSA-N 1 1 385.464 1.662 40 0 GDABMO O[C@@H]1C[C@H]2C[N@@H+](CCc3ccccc3)CC3(CN(Cc4ccccn4)C3)N2C1 ZINC000514289542 570492975 /nfs/dbraw/zinc/49/29/75/570492975.db2.gz NVDOZGNQRGMGPA-FCHUYYIVSA-N 1 1 378.520 1.630 40 0 biogenic,in-vitro GDABMO 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376.460 1.857 40 0 GDABMO C[N@@H+]1CCc2nc3cc(C(=O)NCCc4ccccc4)ccc3c(=O)n2CC1 ZINC000019590766 571018733 /nfs/dbraw/zinc/01/87/33/571018733.db2.gz NORSCJLOUDEZHR-UHFFFAOYSA-N 1 1 376.460 1.857 40 0 GDABMO COCCOc1cccc(C[NH+]2CCN(c3ncc4c(n3)CCOC4)CC2)c1 ZINC000019593799 571020276 /nfs/dbraw/zinc/02/02/76/571020276.db2.gz ZGUGDBAKWHVYLL-UHFFFAOYSA-N 1 1 384.480 1.897 40 0 GDABMO O[C@H](COCCOc1c(F)cc(Br)cc1F)C[NH+]1CCOCC1 ZINC000027530947 530588923 /nfs/dbraw/zinc/58/89/23/530588923.db2.gz LAXTUQRWYUDWCX-LBPRGKRZSA-N 1 1 396.228 1.816 40 0 GDABMO Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCCC[NH+](C)C)s1 ZINC000224392362 531029054 /nfs/dbraw/zinc/02/90/54/531029054.db2.gz PDFJBYZUYAKOTL-UHFFFAOYSA-N 1 1 383.499 1.329 40 0 GDABMO COc1ccc([C@@H]2CN(C(=O)C3CCC3)[C@H]3CC[N@@H+](CCC(N)=O)C[C@@H]23)cc1 ZINC000072330766 222229418 /nfs/dbraw/zinc/22/94/18/222229418.db2.gz FDGDXNSSNPMLKS-UFYCRDLUSA-N 1 1 385.508 1.987 40 0 GDABMO CN1CC[N@@H+](CC2CC2)C2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)C1=O ZINC000096230291 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