smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCn1c(COc2ccccc2)nnc1SCC(=O)N1CC[NH+](C)CC1 ZINC000408556181 231058927 /nfs/dbraw/zinc/05/89/27/231058927.db2.gz IXQOQZPPNSEITI-UHFFFAOYSA-N 1 2 375.498 1.743 40 0 GDABLO CCn1c(COc2ccccc2F)nnc1SCC(=O)N1CC[NH+](C)CC1 ZINC000408556261 231060481 /nfs/dbraw/zinc/06/04/81/231060481.db2.gz JHPCGCDCOUPKOD-UHFFFAOYSA-N 1 2 393.488 1.882 40 0 GDABLO Cc1nn(CCC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)cc1Br ZINC000022402122 530572685 /nfs/dbraw/zinc/57/26/85/530572685.db2.gz OVZCSLSZBMMEJJ-UHFFFAOYSA-N 1 2 395.305 1.422 40 0 GDABLO C[NH+]1CCN(S(=O)(=O)c2ccc(C(=O)N3CCc4ccccc43)cc2)CC1 ZINC000035313691 204166566 /nfs/dbraw/zinc/16/65/66/204166566.db2.gz AMIFKODWCMCILQ-UHFFFAOYSA-N 1 2 385.489 1.826 40 0 GDABLO CCCNS(=O)(=O)c1cc(C(=O)N2CC[NH+](C)CC2)ccc1N1CCCC1 ZINC000010009916 204328763 /nfs/dbraw/zinc/32/87/63/204328763.db2.gz NFODWZRVHQDSTR-UHFFFAOYSA-N 1 2 394.541 1.363 40 0 GDABLO O=C(C[NH+]1CCC(n2nnn(-c3cccs3)c2=O)CC1)NC1CCCCC1 ZINC000072335776 205328042 /nfs/dbraw/zinc/32/80/42/205328042.db2.gz BDNPGYRWSUUVFN-UHFFFAOYSA-N 1 2 390.513 1.576 40 0 GDABLO O=C(C[NH2+][C@@H]1C=CS(=O)(=O)C1)N[C@@H](Cc1ccsc1)c1ccccn1 ZINC000072341799 205328085 /nfs/dbraw/zinc/32/80/85/205328085.db2.gz RBFWTOIBFUWOHX-ZBFHGGJFSA-N 1 2 377.491 1.443 40 0 GDABLO CNC(=O)[C@@H]1CN(C(=O)Cc2c(C)noc2C)CC[N@@H+]1CCc1ccccc1 ZINC000257275120 206171828 /nfs/dbraw/zinc/17/18/28/206171828.db2.gz NNZKTQVBNPWBGY-IBGZPJMESA-N 1 2 384.480 1.335 40 0 GDABLO CNC(=O)[C@@H]1CN(C(=O)Cc2c(C)noc2C)CC[N@H+]1CCc1ccccc1 ZINC000257275120 206171833 /nfs/dbraw/zinc/17/18/33/206171833.db2.gz NNZKTQVBNPWBGY-IBGZPJMESA-N 1 2 384.480 1.335 40 0 GDABLO Cc1c2cccc(F)c2oc1C(=O)N(C)[C@@H]1CC[C@@H]([N@@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257320922 206178618 /nfs/dbraw/zinc/17/86/18/206178618.db2.gz VZHNICPRASMCJI-BFYDXBDKSA-N 1 2 389.427 1.276 40 0 GDABLO Cc1c2cccc(F)c2oc1C(=O)N(C)[C@@H]1CC[C@@H]([N@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257320922 206178620 /nfs/dbraw/zinc/17/86/20/206178620.db2.gz VZHNICPRASMCJI-BFYDXBDKSA-N 1 2 389.427 1.276 40 0 GDABLO Cn1cc(C[NH+]2CCN(c3nccn4c(-c5cnn(C)c5)cnc34)CC2)cn1 ZINC000306123675 206198003 /nfs/dbraw/zinc/19/80/03/206198003.db2.gz ATNLKERLNWKYKY-UHFFFAOYSA-N 1 2 377.456 1.186 40 0 GDABLO O=C([C@H]1COC2(CN(Cc3cccs3)C2)C[N@@H+]1CC1CC1)N1CCCO1 ZINC000306129007 206198703 /nfs/dbraw/zinc/19/87/03/206198703.db2.gz HRDADDSNVNVNMH-QGZVFWFLSA-N 1 2 377.510 1.577 40 0 GDABLO O=C([C@H]1COC2(CN(Cc3cccs3)C2)C[N@H+]1CC1CC1)N1CCCO1 ZINC000306129007 206198709 /nfs/dbraw/zinc/19/87/09/206198709.db2.gz HRDADDSNVNVNMH-QGZVFWFLSA-N 1 2 377.510 1.577 40 0 GDABLO CC(C)C(=O)NC[C@H]1CC2(CC[NH+](Cc3cccc(S(C)(=O)=O)c3)CC2)O1 ZINC000306130560 206200052 /nfs/dbraw/zinc/20/00/52/206200052.db2.gz JJSSTQVAJXUWNI-QGZVFWFLSA-N 1 2 394.537 1.986 40 0 GDABLO Cc1ccc(C(=O)N2CCc3[nH+]c(N4CCOCC4)nc(N(C)C)c3C2)cn1 ZINC000096254012 136185844 /nfs/dbraw/zinc/18/58/44/136185844.db2.gz SVHPHFGTJQNSMR-UHFFFAOYSA-N 1 2 382.468 1.281 40 0 GDABLO O=C(c1cccnc1)N1C[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3ccccc3)C2)C1 ZINC000514288506 560034905 /nfs/dbraw/zinc/03/49/05/560034905.db2.gz BNHQOYPMSLLXQH-VQTJNVASSA-N 1 2 378.476 1.227 40 0 biogenic,in-vitro GDABLO Cn1cc(C(N)=O)c(CC2CC[NH+](CCS(=O)(=O)c3ccccc3)CC2)n1 ZINC000019756443 570216358 /nfs/dbraw/zinc/21/63/58/570216358.db2.gz JAIVLQHSVPPDNL-UHFFFAOYSA-N 1 2 390.509 1.247 40 0 GDABLO CCCS(=O)(=O)N1CCC[C@]2(C(=O)N(C)C)CN(c3cccc[nH+]3)C[C@@H]2C1 ZINC000096251269 570224452 /nfs/dbraw/zinc/22/44/52/570224452.db2.gz LPYKPMAIUSUIHO-APWZRJJASA-N 1 2 394.541 1.428 40 0 GDABLO CN(C)C(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1CN(C(=O)N1CCCC1)CCC2 ZINC000096251276 570224728 /nfs/dbraw/zinc/22/47/28/570224728.db2.gz FWHGYKIHZXZAGT-UWJYYQICSA-N 1 2 385.512 1.904 40 0 GDABLO COC(=O)[C@]1(Cc2ccccc2)[NH2+][C@@H](c2cccs2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000096295833 570228151 /nfs/dbraw/zinc/22/81/51/570228151.db2.gz PWTAHIRMPVWDQI-NARAOEGZSA-N 1 2 384.457 1.778 40 0 GDABLO Cc1ncccc1O[C@H]1CCN(C(=O)/C=C/C[NH+]2CCOCC2)CC[C@@H]1O ZINC000585292107 570261090 /nfs/dbraw/zinc/26/10/90/570261090.db2.gz XKVHGFKAKPZLKA-ONFZBDQASA-N 1 2 375.469 1.009 40 0 GDABLO COC(=O)[C@@]1(CCSC)[NH2+][C@@H](c2ccccc2C)[C@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000100420463 570271944 /nfs/dbraw/zinc/27/19/44/570271944.db2.gz JHVNIDDSVODKDM-XLPNERPQSA-N 1 2 376.478 1.535 40 0 GDABLO O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccccc1)C(Cl)(Cl)Cl ZINC000575421128 570307118 /nfs/dbraw/zinc/30/71/18/570307118.db2.gz NAQMEYDZRGLXTN-WDEREUQCSA-N 1 2 385.700 1.428 40 0 GDABLO Cc1ccc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2NC(=O)C(Cl)(Cl)Cl)cc1 ZINC000575420002 570307334 /nfs/dbraw/zinc/30/73/34/570307334.db2.gz CZPLJPSEANCBIJ-NWDGAFQWSA-N 1 2 399.727 1.737 40 0 GDABLO COc1ccc([C@@H](CNC(=O)N[C@@H]2CCS(=O)(=O)C2)[NH+]2CCCC2)cc1 ZINC000052634760 570420043 /nfs/dbraw/zinc/42/00/43/570420043.db2.gz VSZXMWRMPFCCJY-NVXWUHKLSA-N 1 2 381.498 1.318 40 0 GDABLO COc1cccc(N(CCCC(=O)NCCCn2cc[nH+]c2)S(C)(=O)=O)c1 ZINC000223234168 570451959 /nfs/dbraw/zinc/45/19/59/570451959.db2.gz XTXSBROZCVXPBQ-UHFFFAOYSA-N 1 2 394.497 1.644 40 0 GDABLO COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCCCn1cc[nH+]c1 ZINC000224460537 570514090 /nfs/dbraw/zinc/51/40/90/570514090.db2.gz MEWOGSXTXLCCDV-UHFFFAOYSA-N 1 2 394.497 1.281 40 0 GDABLO CC[C@H](C(=O)NCCCn1cc[nH+]c1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713909 570778536 /nfs/dbraw/zinc/77/85/36/570778536.db2.gz VMEYNLVHVIDFJQ-QGZVFWFLSA-N 1 2 378.498 1.943 40 0 GDABLO c1nncn1N1C[NH+]=C2N[C@H]([C@@H]3CC=CCC3)n3c4ccccc4nc3N2C1 ZINC000013634026 570862094 /nfs/dbraw/zinc/86/20/94/570862094.db2.gz QYZDQCYZJMMBEB-PBHICJAKSA-N 1 2 375.440 1.815 40 0 GDABLO COC(=O)[C@]1(Cc2ccccc2)[NH2+][C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000019586885 570927783 /nfs/dbraw/zinc/92/77/83/570927783.db2.gz UMUQOMBAHXGJOJ-WYADAEROSA-N 1 2 394.427 1.422 40 0 GDABLO Cc1cccc(C(=O)N2CCC3(CO[C@@H](C[N@H+]4CCN(C)C(=O)C4)C3)CC2)c1 ZINC000585104145 570930002 /nfs/dbraw/zinc/93/00/02/570930002.db2.gz LVYBXSJNRJBRIL-LJQANCHMSA-N 1 2 385.508 1.780 40 0 GDABLO Cc1cccc(C(=O)N2CCC3(CO[C@@H](C[N@@H+]4CCN(C)C(=O)C4)C3)CC2)c1 ZINC000585104145 570930005 /nfs/dbraw/zinc/93/00/05/570930005.db2.gz LVYBXSJNRJBRIL-LJQANCHMSA-N 1 2 385.508 1.780 40 0 GDABLO CC(C)(C)OC(=O)N1CC[NH+](C[C@H](O)CNC(=O)OCc2ccccc2)CC1 ZINC000044137895 570948266 /nfs/dbraw/zinc/94/82/66/570948266.db2.gz QCAHFWOAJKCBGX-QGZVFWFLSA-N 1 2 393.484 1.826 40 0 GDABLO CCOC(=O)[C@]1(CCSC)[NH2+][C@H](c2cccc(C)c2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000229919219 570961994 /nfs/dbraw/zinc/96/19/94/570961994.db2.gz WTOCGNZAHARIQO-AXHMDWHKSA-N 1 2 390.505 1.925 40 0 GDABLO C[N@@H+]1CCC[C@@H]1c1nnc2n1CCN(C(=O)c1ccc3c(c1)OCCO3)CC2 ZINC000019706516 571032392 /nfs/dbraw/zinc/03/23/92/571032392.db2.gz MSKZFSRRQUINGJ-OAHLLOKOSA-N 1 2 383.452 1.515 40 0 GDABLO C[N@H+]1CCC[C@@H]1c1nnc2n1CCN(C(=O)c1ccc3c(c1)OCCO3)CC2 ZINC000019706516 571032393 /nfs/dbraw/zinc/03/23/93/571032393.db2.gz MSKZFSRRQUINGJ-OAHLLOKOSA-N 1 2 383.452 1.515 40 0 GDABLO O=C(C[NH2+][C@H]1C=CS(=O)(=O)C1)N[C@H](Cc1ccsc1)c1ccccn1 ZINC000072341794 205327219 /nfs/dbraw/zinc/32/72/19/205327219.db2.gz RBFWTOIBFUWOHX-GOEBONIOSA-N 1 2 377.491 1.443 40 0 GDABLO CCc1nc(=O)c2ccccc2n1C1=CCN(C(=O)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000072348273 205331329 /nfs/dbraw/zinc/33/13/29/205331329.db2.gz DJFCLNUODKHZBN-MRXNPFEDSA-N 1 2 396.491 1.753 40 0 GDABLO CN(C(=O)COCc1nc2ccccc2n1C)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257203804 206157684 /nfs/dbraw/zinc/15/76/84/206157684.db2.gz ARRKSYGGWUUGCT-MBOZVWFJSA-N 1 2 383.452 1.509 40 0 GDABLO CNC(=O)[C@H]1CN(C(=O)Cc2csc(C)n2)CC[N@@H+]1CCc1ccccc1 ZINC000257212631 206159025 /nfs/dbraw/zinc/15/90/25/206159025.db2.gz CEHCLEYWSPHLCM-GOSISDBHSA-N 1 2 386.521 1.496 40 0 GDABLO CNC(=O)[C@H]1CN(C(=O)Cc2csc(C)n2)CC[N@H+]1CCc1ccccc1 ZINC000257212631 206159030 /nfs/dbraw/zinc/15/90/30/206159030.db2.gz CEHCLEYWSPHLCM-GOSISDBHSA-N 1 2 386.521 1.496 40 0 GDABLO Cc1[nH+]cc(-c2cc(CC3CCN(S(=O)(=O)N(C)C)CC3)ccn2)n1C ZINC000257307697 206176307 /nfs/dbraw/zinc/17/63/07/206176307.db2.gz SZWCPDSSVXKJAM-UHFFFAOYSA-N 1 2 377.514 1.851 40 0 GDABLO O=C(N[C@@H]1CC[C@@H]([NH+]2CCOCC2)[C@@H]1O)c1cccc(Br)c1O ZINC000257318736 206177905 /nfs/dbraw/zinc/17/79/05/206177905.db2.gz VPEHFMFYONGHAJ-UMVBOHGHSA-N 1 2 385.258 1.109 40 0 GDABLO Cc1cc(C[N@@H+]2C[C@H]3[C@H](C2)S(=O)(=O)CC[C@H]3NC(=O)c2ccoc2)oc1C ZINC000306140295 206204719 /nfs/dbraw/zinc/20/47/19/206204719.db2.gz UPAZITKDCVFZQV-KURKYZTESA-N 1 2 392.477 1.907 40 0 GDABLO Cc1cc(C[N@H+]2C[C@H]3[C@H](C2)S(=O)(=O)CC[C@H]3NC(=O)c2ccoc2)oc1C ZINC000306140295 206204722 /nfs/dbraw/zinc/20/47/22/206204722.db2.gz UPAZITKDCVFZQV-KURKYZTESA-N 1 2 392.477 1.907 40 0 GDABLO Cn1c2ccccc2[nH+]c1N1CCC(C(=O)NCCCN2CCCC2=O)CC1 ZINC000072347646 222234220 /nfs/dbraw/zinc/23/42/20/222234220.db2.gz UJSGJGZDBHRRQC-UHFFFAOYSA-N 1 2 383.496 1.918 40 0 GDABLO Cc1oncc1C(=O)NCc1cc(=O)n2c(n1)C[N@@H+](Cc1ccco1)CCC2 ZINC000096086883 570210453 /nfs/dbraw/zinc/21/04/53/570210453.db2.gz OAOOGIAKNZJURI-UHFFFAOYSA-N 1 2 383.408 1.469 40 0 GDABLO Cc1oncc1C(=O)NCc1cc(=O)n2c(n1)C[N@H+](Cc1ccco1)CCC2 ZINC000096086883 570210455 /nfs/dbraw/zinc/21/04/55/570210455.db2.gz OAOOGIAKNZJURI-UHFFFAOYSA-N 1 2 383.408 1.469 40 0 GDABLO Cc1nc([C@@H]2CCCC[N@H+]2Cc2cnn(C)c2)ncc1C(=O)N1CCOCC1 ZINC000019751913 570215556 /nfs/dbraw/zinc/21/55/56/570215556.db2.gz FDOJTQQCJFFHBA-SFHVURJKSA-N 1 2 384.484 1.718 40 0 GDABLO Cc1nc([C@@H]2CCCC[N@@H+]2Cc2cnn(C)c2)ncc1C(=O)N1CCOCC1 ZINC000019751913 570215558 /nfs/dbraw/zinc/21/55/58/570215558.db2.gz FDOJTQQCJFFHBA-SFHVURJKSA-N 1 2 384.484 1.718 40 0 GDABLO COC(=O)[C@@]1(CCSC)[NH2+][C@@H](c2ccc(C)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000100420470 570271971 /nfs/dbraw/zinc/27/19/71/570271971.db2.gz IUXZIYJEOUPSCW-XLPNERPQSA-N 1 2 376.478 1.535 40 0 GDABLO O=C1C[C@@H](c2cc(F)cc(F)c2)Cc2nc(N3CC[NH+](CCO)CC3)ncc21 ZINC000020672963 570274450 /nfs/dbraw/zinc/27/44/50/570274450.db2.gz XQZBXLGYSUVVJU-AWEZNQCLSA-N 1 2 388.418 1.782 40 0 GDABLO COc1ccc([C@@H](CNC(=O)N[C@@]2(C)CCS(=O)(=O)C2)[NH+]2CCCC2)cc1 ZINC000575421073 570307125 /nfs/dbraw/zinc/30/71/25/570307125.db2.gz HNFJFOZSDLRNIY-MJGOQNOKSA-N 1 2 395.525 1.709 40 0 GDABLO COc1ccc([C@@H](CNC(=S)N[C@H]2C=CS(=O)(=O)C2)[NH+]2CCCC2)cc1 ZINC000575423872 570309309 /nfs/dbraw/zinc/30/93/09/570309309.db2.gz SEYLUQVCBJNJQW-DOTOQJQBSA-N 1 2 395.550 1.607 40 0 GDABLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2=O)C1 ZINC000057523233 570364265 /nfs/dbraw/zinc/36/42/65/570364265.db2.gz NLHBEGYMXYVADH-RHSMWYFYSA-N 1 2 387.436 1.552 40 0 GDABLO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2=O)C1 ZINC000057523233 570364267 /nfs/dbraw/zinc/36/42/67/570364267.db2.gz NLHBEGYMXYVADH-RHSMWYFYSA-N 1 2 387.436 1.552 40 0 GDABLO O=C(C[NH+]1CCN(c2nc3ccccc3[nH]2)CC1)NCc1ccc2c(c1)OCO2 ZINC000120961162 570398726 /nfs/dbraw/zinc/39/87/26/570398726.db2.gz IXBITBXLXYHLSU-UHFFFAOYSA-N 1 2 393.447 1.730 40 0 GDABLO CCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH+]3CCC4(CC3)OCCO4)C2=O)cc1 ZINC000009288781 570774770 /nfs/dbraw/zinc/77/47/70/570774770.db2.gz KRBWSFIVLGXPOI-MRXNPFEDSA-N 1 2 388.420 1.334 40 0 GDABLO COC(=O)[C@]1(Cc2ccccc2)[NH2+][C@H](c2cccs2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000012495090 570807570 /nfs/dbraw/zinc/80/75/70/570807570.db2.gz PWTAHIRMPVWDQI-QCBUCWTNSA-N 1 2 384.457 1.778 40 0 GDABLO Cc1cncc(CN2CCC[C@]3(CC(C(=O)NCCCn4cc[nH+]c4)=NO3)C2)n1 ZINC000585101261 570926822 /nfs/dbraw/zinc/92/68/22/570926822.db2.gz SIYBMKXSVONFBW-FQEVSTJZSA-N 1 2 397.483 1.299 40 0 GDABLO CCCNS(=O)(=O)c1ccc(OCC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000016678156 570930234 /nfs/dbraw/zinc/93/02/34/570930234.db2.gz PGJHTAQFDQTUMO-UHFFFAOYSA-N 1 2 380.470 1.157 40 0 GDABLO CC(=O)N1CC[NH+](Cc2cc3c(C)nn(-c4ccc(F)cc4)c3[nH]c2=O)CC1 ZINC000019565280 571007335 /nfs/dbraw/zinc/00/73/35/571007335.db2.gz OOVHGWSAXPRUIX-UHFFFAOYSA-N 1 2 383.427 1.825 40 0 GDABLO C[N@@H+]1CCCC[C@H]1c1nnc2n1CCN(C(=O)c1ccc3c(c1)OCCO3)CC2 ZINC000019706175 571032473 /nfs/dbraw/zinc/03/24/73/571032473.db2.gz GWECMXOLPUUZBC-INIZCTEOSA-N 1 2 397.479 1.905 40 0 GDABLO C[N@H+]1CCCC[C@H]1c1nnc2n1CCN(C(=O)c1ccc3c(c1)OCCO3)CC2 ZINC000019706175 571032475 /nfs/dbraw/zinc/03/24/75/571032475.db2.gz GWECMXOLPUUZBC-INIZCTEOSA-N 1 2 397.479 1.905 40 0 GDABLO Cc1[nH+]c2ccc(Cl)cn2c1CN1CCN(S(=O)(=O)N2CCCC2)CC1 ZINC000019715701 571037325 /nfs/dbraw/zinc/03/73/25/571037325.db2.gz LTWIMZQPMZDXQD-UHFFFAOYSA-N 1 2 397.932 1.754 40 0 GDABLO COc1ccc(-c2c(C)nn3c2nnc(C(=O)N2CC[NH+](C)CC2)c3C)cc1 ZINC000013639244 230885278 /nfs/dbraw/zinc/88/52/78/230885278.db2.gz HQGDZWQTJIQZCP-UHFFFAOYSA-N 1 2 380.452 1.804 40 0 GDABLO COC(=O)[C@@H]1Cc2[nH+]cn(Cc3ccc(Cl)cc3)c2CN1S(C)(=O)=O ZINC000015676440 530563516 /nfs/dbraw/zinc/56/35/16/530563516.db2.gz GVYWYBMAZINLBA-AWEZNQCLSA-N 1 2 383.857 1.444 40 0 biogenic,in-vitro GDABLO CCOC(=O)[C@@]1(CCSC)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(C)C(=O)[C@H]21 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570214106 /nfs/dbraw/zinc/21/41/06/570214106.db2.gz BXRJMPLTMZFJMO-SFHVURJKSA-N 1 2 390.509 1.682 40 0 GDABLO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000020061535 570238464 /nfs/dbraw/zinc/23/84/64/570238464.db2.gz CVGJAQNRORHOQI-UHFFFAOYSA-N 1 2 395.525 1.232 40 0 GDABLO Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3[nH+]c(N4CCOCC4)nc(N)c32)cc1C ZINC000020635763 570273562 /nfs/dbraw/zinc/27/35/62/570273562.db2.gz PZNHNNKDBANGJH-CQSZACIVSA-N 1 2 396.451 1.577 40 0 GDABLO CCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3[nH+]c(N4CCOCC4)nc(N)c32)cc1 ZINC000020674083 570274820 /nfs/dbraw/zinc/27/48/20/570274820.db2.gz HEMDSGPSWMESKQ-CQSZACIVSA-N 1 2 396.451 1.522 40 0 GDABLO COc1ccc([C@@H]2[NH+]=C(N3CCOCC3)Nc3nc(C)cc(=O)n32)c(OC)c1 ZINC000104279794 570300479 /nfs/dbraw/zinc/30/04/79/570300479.db2.gz OCIIGZHIIQNSTP-QGZVFWFLSA-N 1 2 385.424 1.230 40 0 GDABLO C[NH+]1CCN(C2=[NH+][C@H](C(=O)Nc3ccccc3C(F)(F)F)C=C([O-])N2)CC1 ZINC000014606963 570893041 /nfs/dbraw/zinc/89/30/41/570893041.db2.gz WVCUQFOVSMUHEA-ZDUSSCGKSA-N 1 2 383.374 1.136 40 0 GDABLO Cc1cncc(C(=O)N2Cc3c[nH+]cn3[C@@H](C(=O)NCc3cccnc3)C2)c1 ZINC000585095901 570922828 /nfs/dbraw/zinc/92/28/28/570922828.db2.gz ACJWRIPJBIOSNF-GOSISDBHSA-N 1 2 376.420 1.495 40 0 GDABLO CCOC(=O)[C@]1(CCSC)[NH2+][C@H](c2cccc(C)c2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000019529678 570928717 /nfs/dbraw/zinc/92/87/17/570928717.db2.gz WTOCGNZAHARIQO-QCBUCWTNSA-N 1 2 390.505 1.925 40 0 GDABLO Cn1nc(-c2cccnc2)cc1C[NH+]1CCN(C(=O)Cc2ccccn2)CC1 ZINC000019289025 570971047 /nfs/dbraw/zinc/97/10/47/570971047.db2.gz LJTUDRLIVWVHRP-UHFFFAOYSA-N 1 2 376.464 1.764 40 0 GDABLO C[C@@H]1C[NH+](CC(=O)N2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C[C@@H](C)O1 ZINC000019497396 570990373 /nfs/dbraw/zinc/99/03/73/570990373.db2.gz PKHAOTGNSOBFIY-ZACQAIPSSA-N 1 2 388.512 1.395 40 0 GDABLO C[N@@H+]1CCCC[C@@H]1c1nnc2n1CCN(S(=O)(=O)c1ccccc1)CC2 ZINC000019706150 571031981 /nfs/dbraw/zinc/03/19/81/571031981.db2.gz HCWZNIKHVWZXIM-MRXNPFEDSA-N 1 2 375.498 1.682 40 0 GDABLO C[N@H+]1CCCC[C@@H]1c1nnc2n1CCN(S(=O)(=O)c1ccccc1)CC2 ZINC000019706150 571031982 /nfs/dbraw/zinc/03/19/82/571031982.db2.gz HCWZNIKHVWZXIM-MRXNPFEDSA-N 1 2 375.498 1.682 40 0 GDABLO Cn1cc(C(=O)NCc2cc(=O)n3c(n2)C[N@@H+](Cc2cccs2)CCC3)cn1 ZINC000096059653 571098647 /nfs/dbraw/zinc/09/86/47/571098647.db2.gz CKAJKTOSKWOSLL-UHFFFAOYSA-N 1 2 398.492 1.374 40 0 GDABLO Cn1cc(C(=O)NCc2cc(=O)n3c(n2)C[N@H+](Cc2cccs2)CCC3)cn1 ZINC000096059653 571098650 /nfs/dbraw/zinc/09/86/50/571098650.db2.gz CKAJKTOSKWOSLL-UHFFFAOYSA-N 1 2 398.492 1.374 40 0 GDABLO COc1cccc(N(C)CCC(=O)N2CCC[C@@H](c3nnc4n3CC[NH2+]C4)C2)c1 ZINC000019710970 204672839 /nfs/dbraw/zinc/67/28/39/204672839.db2.gz RGUPCWFGGYFZKI-MRXNPFEDSA-N 1 2 398.511 1.622 40 0 GDABLO COCCNC(=S)N1CC[NH+](Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000225224497 206042554 /nfs/dbraw/zinc/04/25/54/206042554.db2.gz ZKGQWVRQLHSYCB-UHFFFAOYSA-N 1 2 383.514 1.351 40 0 GDABLO CCOc1cccc(C(=O)N2Cc3c[nH+]cn3[C@H](CNS(C)(=O)=O)C2)c1 ZINC000248380043 206137547 /nfs/dbraw/zinc/13/75/47/206137547.db2.gz OSJDWXMKIUPFJL-OAHLLOKOSA-N 1 2 378.454 1.028 40 0 GDABLO O=C(N[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O)c1cccc(Br)c1O ZINC000257305942 206176902 /nfs/dbraw/zinc/17/69/02/206176902.db2.gz SSEQFUSPDLZKRX-IIAWOOMASA-N 1 2 399.285 1.499 40 0 GDABLO CC(C)(C)OC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCOCC1 ZINC000257259347 206168514 /nfs/dbraw/zinc/16/85/14/206168514.db2.gz KXXAEFDTGMGUEQ-BDXSIMOUSA-N 1 2 378.469 1.793 40 0 GDABLO O=C(CC[N@@H+]1CCO[C@H](c2cccc(Nc3cnccn3)n2)C1)N1CCOCC1 ZINC000257335944 206181569 /nfs/dbraw/zinc/18/15/69/206181569.db2.gz YMMVCMQRGAVPBI-KRWDZBQOSA-N 1 2 398.467 1.237 40 0 GDABLO O=C(CC[N@H+]1CCO[C@H](c2cccc(Nc3cnccn3)n2)C1)N1CCOCC1 ZINC000257335944 206181573 /nfs/dbraw/zinc/18/15/73/206181573.db2.gz YMMVCMQRGAVPBI-KRWDZBQOSA-N 1 2 398.467 1.237 40 0 GDABLO COc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)N1CCC(C)CC1 ZINC000408706383 533047722 /nfs/dbraw/zinc/04/77/22/533047722.db2.gz JKLRDOCRTXKGLW-UHFFFAOYSA-N 1 2 395.525 1.503 40 0 GDABLO COC(=O)COc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1Cl ZINC000408596865 533563477 /nfs/dbraw/zinc/56/34/77/533563477.db2.gz SUOKCVUCKUHORF-UHFFFAOYSA-N 1 2 387.845 1.457 40 0 GDABLO CC[N@@H+]1CCN(c2ccc(C)nc2)C(=O)C12CCN(C(=O)[C@H]1CCOC1)CC2 ZINC000096230368 136185308 /nfs/dbraw/zinc/18/53/08/136185308.db2.gz XTWGFGWUDNIBLD-KRWDZBQOSA-N 1 2 386.496 1.456 40 0 GDABLO CC[N@H+]1CCN(c2ccc(C)nc2)C(=O)C12CCN(C(=O)[C@H]1CCOC1)CC2 ZINC000096230368 136185309 /nfs/dbraw/zinc/18/53/09/136185309.db2.gz XTWGFGWUDNIBLD-KRWDZBQOSA-N 1 2 386.496 1.456 40 0 GDABLO C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCCCn1cc[nH+]c1 ZINC000408593726 533968410 /nfs/dbraw/zinc/96/84/10/533968410.db2.gz NXKKHFIUPQLERG-HNNXBMFYSA-N 1 2 386.477 1.910 40 0 GDABLO COc1ccccc1CN1CC2(C1)C[N@H+](Cc1cccnc1)C[C@H]1C[C@@H](O)CN12 ZINC000514288511 560034957 /nfs/dbraw/zinc/03/49/57/560034957.db2.gz BNJNITLUDNRWFX-NHCUHLMSSA-N 1 2 394.519 1.596 40 0 biogenic,in-vitro GDABLO COc1ccccc1CN1CC2(C1)C[N@@H+](Cc1cccnc1)C[C@H]1C[C@@H](O)CN12 ZINC000514288511 560034959 /nfs/dbraw/zinc/03/49/59/560034959.db2.gz BNJNITLUDNRWFX-NHCUHLMSSA-N 1 2 394.519 1.596 40 0 biogenic,in-vitro GDABLO Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3[nH+]c(N4CCOCC4)nc(N)c32)c(C)c1 ZINC000019819961 570222343 /nfs/dbraw/zinc/22/23/43/570222343.db2.gz FDVKIHZYAPYSBB-ZDUSSCGKSA-N 1 2 396.451 1.577 40 0 GDABLO CNc1nc(N2CC[NH+](CCO)CC2)nc2c1C(=O)C[C@H](c1ccccc1)C2 ZINC000020503104 570264717 /nfs/dbraw/zinc/26/47/17/570264717.db2.gz VMVNYWKVVIUBTO-MRXNPFEDSA-N 1 2 381.480 1.545 40 0 GDABLO CCNc1nc(N2CC[NH+](CCO)CC2)nc2c1C(=O)C[C@@H](c1ccccc1)C2 ZINC000020801881 570281782 /nfs/dbraw/zinc/28/17/82/570281782.db2.gz OFZLRRUDVCNQIP-KRWDZBQOSA-N 1 2 395.507 1.935 40 0 GDABLO COc1ccc([C@H](CN2C(=O)N[C@H]3CS(=O)(=O)C[C@H]32)[NH+]2CCCC2)cc1 ZINC000575424103 570309693 /nfs/dbraw/zinc/30/96/93/570309693.db2.gz SNZWJBHXEJGWCW-YESZJQIVSA-N 1 2 379.482 1.023 40 0 GDABLO Cc1cccc(C(=O)N2Cc3c[nH+]cn3[C@@H](C(=O)NCC3CCOCC3)C2)c1 ZINC000585096166 570922548 /nfs/dbraw/zinc/92/25/48/570922548.db2.gz WOUQZJIRZWPHBD-LJQANCHMSA-N 1 2 382.464 1.931 40 0 GDABLO c1ccc(Cn2nnnc2CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000019372863 570924823 /nfs/dbraw/zinc/92/48/23/570924823.db2.gz NYLXKAPDRAZVMT-UHFFFAOYSA-N 1 2 392.463 1.768 40 0 GDABLO Cn1cc[nH+]c1[C@@H](c1ccccc1)N1CCN(C(=O)[C@H]2CC(=O)OC2(C)C)CC1 ZINC000019460453 570988398 /nfs/dbraw/zinc/98/83/98/570988398.db2.gz ZBRWEDXRFOXOLP-IEBWSBKVSA-N 1 2 396.491 1.995 40 0 GDABLO C[N@@H+]1CCc2nc(N)c(C(=O)N3CCC(COc4ccccn4)CC3)cc2C1 ZINC000019700531 571031564 /nfs/dbraw/zinc/03/15/64/571031564.db2.gz GHUJYIQHTCAJMJ-UHFFFAOYSA-N 1 2 381.480 1.978 40 0 GDABLO C[N@H+]1CCc2nc(N)c(C(=O)N3CCC(COc4ccccn4)CC3)cc2C1 ZINC000019700531 571031565 /nfs/dbraw/zinc/03/15/65/571031565.db2.gz GHUJYIQHTCAJMJ-UHFFFAOYSA-N 1 2 381.480 1.978 40 0 GDABLO c1nncn1N1C[NH+]=C2N[C@H]([C@H]3CC=CCC3)n3c4ccccc4nc3N2C1 ZINC000020556154 230905190 /nfs/dbraw/zinc/90/51/90/230905190.db2.gz QYZDQCYZJMMBEB-YOEHRIQHSA-N 1 2 375.440 1.815 40 0 GDABLO COCc1nn2c(nnc(C(=O)N3CC[NH+](C)CC3)c2C)c1-c1ccc(F)cc1 ZINC000039963933 205044490 /nfs/dbraw/zinc/04/44/90/205044490.db2.gz VVUVRHCWYZVYMA-UHFFFAOYSA-N 1 2 398.442 1.773 40 0 GDABLO C[NH+]1CCN(S(=O)(=O)Cc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)cc2)CC1 ZINC000067603851 205250424 /nfs/dbraw/zinc/25/04/24/205250424.db2.gz LBUHRDZJGXEAHL-QXAKKESOSA-N 1 2 391.537 1.682 40 0 GDABLO O=C(C[NH2+][C@H]1C=CS(=O)(=O)C1)N1CCC[C@@H](c2cc3ccccc3cn2)C1 ZINC000072341204 205328466 /nfs/dbraw/zinc/32/84/66/205328466.db2.gz IIEMQXAGQMSFRJ-MSOLQXFVSA-N 1 2 385.489 1.841 40 0 GDABLO S=C(NCC[NH+]1CCOCC1)Nc1ccc(Sc2ncccn2)nc1 ZINC000223894280 206008859 /nfs/dbraw/zinc/00/88/59/206008859.db2.gz LCHOKZCFIGWRKJ-UHFFFAOYSA-N 1 2 376.511 1.641 40 0 GDABLO O=C(NCC[NH+]1CCOCC1)c1ccc(Cn2cc(Br)cn2)cc1 ZINC000027969872 206021506 /nfs/dbraw/zinc/02/15/06/206021506.db2.gz WFYRKJCPUYWRTA-UHFFFAOYSA-N 1 2 393.285 1.756 40 0 GDABLO COC(=O)[C@]1(Cc2ccccc2)[NH2+][C@H](c2cccs2)[C@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000096295834 206121156 /nfs/dbraw/zinc/12/11/56/206121156.db2.gz PWTAHIRMPVWDQI-ZFCANOHDSA-N 1 2 384.457 1.778 40 0 GDABLO CC(=O)NCC(=O)N1CCO[C@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)[nH+]2)C1 ZINC000257273264 206171683 /nfs/dbraw/zinc/17/16/83/206171683.db2.gz NFWVSFDBTJJWTQ-SFHVURJKSA-N 1 2 398.467 1.576 40 0 GDABLO COc1ncccc1C[N@@H+]1CC[C@]2(C1)CN(C)S(=O)(=O)c1ccccc1O2 ZINC000306139021 206204928 /nfs/dbraw/zinc/20/49/28/206204928.db2.gz SNHAPRWIYDSFJQ-LJQANCHMSA-N 1 2 389.477 1.748 40 0 GDABLO COc1ncccc1C[N@H+]1CC[C@]2(C1)CN(C)S(=O)(=O)c1ccccc1O2 ZINC000306139021 206204932 /nfs/dbraw/zinc/20/49/32/206204932.db2.gz SNHAPRWIYDSFJQ-LJQANCHMSA-N 1 2 389.477 1.748 40 0 GDABLO Cc1nc(C[N@H+]2CC[C@]3(C2)COCc2cnc(N4C[C@@H](C)O[C@@H](C)C4)nc23)c[nH]1 ZINC000306127621 206198418 /nfs/dbraw/zinc/19/84/18/206198418.db2.gz GDPBRUIKKWUZFO-ZSDSOXJFSA-N 1 2 398.511 1.796 40 0 GDABLO Cc1nc(C[N@@H+]2CC[C@]3(C2)COCc2cnc(N4C[C@@H](C)O[C@@H](C)C4)nc23)c[nH]1 ZINC000306127621 206198422 /nfs/dbraw/zinc/19/84/22/206198422.db2.gz GDPBRUIKKWUZFO-ZSDSOXJFSA-N 1 2 398.511 1.796 40 0 GDABLO Cn1c[nH+]c([C@H]2CN(C(=O)c3ccncc3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306127539 206199060 /nfs/dbraw/zinc/19/90/60/206199060.db2.gz GBIVSGNPQBFTQM-DYESRHJHSA-N 1 2 379.464 1.683 40 0 GDABLO Cn1c[nH+]c([C@@H]2CN(C(=O)c3ccn(C)n3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306127779 206199069 /nfs/dbraw/zinc/19/90/69/206199069.db2.gz GHLKCRSXQJERJI-YWZLYKJASA-N 1 2 382.468 1.022 40 0 GDABLO COCCNC(=O)[C@@H]1COC2(CN(Cc3cccs3)C2)C[N@@H+]1CC1CC1 ZINC000306129162 206199076 /nfs/dbraw/zinc/19/90/76/206199076.db2.gz HWBWDTOOIQUHCQ-KRWDZBQOSA-N 1 2 379.526 1.176 40 0 GDABLO COCCNC(=O)[C@@H]1COC2(CN(Cc3cccs3)C2)C[N@H+]1CC1CC1 ZINC000306129162 206199080 /nfs/dbraw/zinc/19/90/80/206199080.db2.gz HWBWDTOOIQUHCQ-KRWDZBQOSA-N 1 2 379.526 1.176 40 0 GDABLO Cn1ccc(C(=O)N2CCC3(CC2)C[N@H+](C)Cc2nnc(-c4ccco4)n23)n1 ZINC000306132402 206201289 /nfs/dbraw/zinc/20/12/89/206201289.db2.gz LHSANZQCFRSVOR-UHFFFAOYSA-N 1 2 381.440 1.349 40 0 GDABLO Cn1ccc(C(=O)N2CCC3(CC2)C[N@@H+](C)Cc2nnc(-c4ccco4)n23)n1 ZINC000306132402 206201293 /nfs/dbraw/zinc/20/12/93/206201293.db2.gz LHSANZQCFRSVOR-UHFFFAOYSA-N 1 2 381.440 1.349 40 0 GDABLO O=C(c1ccccc1)N1CC2(C1)C[N@@H+](Cc1cccnc1)C[C@H]1C[C@@H](O)CN12 ZINC000514290269 560030024 /nfs/dbraw/zinc/03/00/24/560030024.db2.gz VVVCQSQZZLKFIB-WOJBJXKFSA-N 1 2 378.476 1.227 40 0 biogenic,in-vitro GDABLO O=C(c1ccccc1)N1CC2(C1)C[N@H+](Cc1cccnc1)C[C@H]1C[C@@H](O)CN12 ZINC000514290269 560030025 /nfs/dbraw/zinc/03/00/25/560030025.db2.gz VVVCQSQZZLKFIB-WOJBJXKFSA-N 1 2 378.476 1.227 40 0 biogenic,in-vitro GDABLO c1c(CC2([NH2+]Cc3cccc4c3OCO4)COC2)noc1CN1CCOCC1 ZINC000067898402 560049938 /nfs/dbraw/zinc/04/99/38/560049938.db2.gz ILTLKMLQQXFPDZ-UHFFFAOYSA-N 1 2 387.436 1.337 40 0 biogenic,in-vitro GDABLO O=S1(=O)Cc2cnc(NCc3ccccn3)nc2[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC000096252111 570225068 /nfs/dbraw/zinc/22/50/68/570225068.db2.gz BMVYDTQUKRCIIF-DLBZAZTESA-N 1 2 385.493 1.590 40 0 GDABLO O=S1(=O)Cc2cnc(NCc3ccccn3)nc2[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC000096252111 570225070 /nfs/dbraw/zinc/22/50/70/570225070.db2.gz BMVYDTQUKRCIIF-DLBZAZTESA-N 1 2 385.493 1.590 40 0 GDABLO COc1ccc(N2C(=O)C[C@@H]([NH+]3CCC4(CC3)OCCO4)C2=O)c(OC)c1 ZINC000104346159 570301566 /nfs/dbraw/zinc/30/15/66/570301566.db2.gz RHJNOGCXMNBKOS-OAHLLOKOSA-N 1 2 376.409 1.175 40 0 GDABLO COC(=O)[C@]1(Cc2ccccc2)[NH2+][C@H](c2ccc(O)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000100419967 570707530 /nfs/dbraw/zinc/70/75/30/570707530.db2.gz UMUQOMBAHXGJOJ-VDVULAQNSA-N 1 2 394.427 1.422 40 0 GDABLO CC[NH+]1CCN(C2=[NH+][C@H](C(=O)Nc3ccccc3C(F)(F)F)C=C([O-])N2)CC1 ZINC000014606955 570893114 /nfs/dbraw/zinc/89/31/14/570893114.db2.gz FOWANNWQJMKXJK-AWEZNQCLSA-N 1 2 397.401 1.526 40 0 GDABLO COc1ccc(S(=O)(=O)N(C)CC(=O)NCCCn2cc[nH+]c2)cc1C ZINC000016283041 570920594 /nfs/dbraw/zinc/92/05/94/570920594.db2.gz OZXFTSNLUINGJN-UHFFFAOYSA-N 1 2 380.470 1.027 40 0 GDABLO CNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000019824627 570930155 /nfs/dbraw/zinc/93/01/55/570930155.db2.gz HZASFGUDMGOFDP-UHFFFAOYSA-N 1 2 390.509 1.175 40 0 GDABLO O=C(NCCc1cc(N2CCOCC2)nc(NC2CC2)[nH+]1)[C@H]1CCCCO1 ZINC000019291963 570972114 /nfs/dbraw/zinc/97/21/14/570972114.db2.gz PVTQUVDTGANNOB-MRXNPFEDSA-N 1 2 375.473 1.115 40 0 GDABLO CCN(CC)S(=O)(=O)N1CCC[C@H](c2nc3c(c(C)[nH+]2)CCCN3C)C1 ZINC000019706947 571032873 /nfs/dbraw/zinc/03/28/73/571032873.db2.gz TXZDZGSUYBUQGG-HNNXBMFYSA-N 1 2 381.546 1.933 40 0 GDABLO Cc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1C(=O)NCC(C)C ZINC000408597724 231074570 /nfs/dbraw/zinc/07/45/70/231074570.db2.gz XOBQUXLQKVXGLD-UHFFFAOYSA-N 1 2 378.498 1.946 40 0 GDABLO [NH2+]=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(I)c1 ZINC000138911119 531119491 /nfs/dbraw/zinc/11/94/91/531119491.db2.gz RKQYXKIDLNABTO-NXEZZACHSA-N 1 2 394.259 1.945 40 0 GDABLO Cn1c2nc3n(c2c(=O)n(C)c1=O)CC(C(C)(C)C)=[NH+]N3Cc1ccc(F)cc1 ZINC000005148140 204115412 /nfs/dbraw/zinc/11/54/12/204115412.db2.gz VVQNZPVWMWZJHD-UHFFFAOYSA-N 1 2 398.442 1.995 40 0 GDABLO Cc1ccc(C(=O)NCCCn2cc[nH+]c2)cc1N1CCCCS1(=O)=O ZINC000005345150 204126973 /nfs/dbraw/zinc/12/69/73/204126973.db2.gz IRUUKUDGAJQRHP-UHFFFAOYSA-N 1 2 376.482 1.942 40 0 GDABLO CCc1nnc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2nccn2C)C3)s1 ZINC000072334599 205328137 /nfs/dbraw/zinc/32/81/37/205328137.db2.gz URPKEFFIJWJAQN-GTKHYJCHSA-N 1 2 376.486 1.287 40 0 GDABLO CCc1nnc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2nccn2C)C3)s1 ZINC000072334599 205328142 /nfs/dbraw/zinc/32/81/42/205328142.db2.gz URPKEFFIJWJAQN-GTKHYJCHSA-N 1 2 376.486 1.287 40 0 GDABLO COc1cccc(OC)c1C[N@@H+]1CCC[C@@H]1c1nnc2n1CCN(C(C)=O)C2 ZINC000072373917 205338717 /nfs/dbraw/zinc/33/87/17/205338717.db2.gz FEMXHTGCZQHXDT-MRXNPFEDSA-N 1 2 385.468 1.995 40 0 GDABLO COc1cccc(OC)c1C[N@H+]1CCC[C@@H]1c1nnc2n1CCN(C(C)=O)C2 ZINC000072373917 205338721 /nfs/dbraw/zinc/33/87/21/205338721.db2.gz FEMXHTGCZQHXDT-MRXNPFEDSA-N 1 2 385.468 1.995 40 0 GDABLO CS(=O)(=O)NC[C@H]1CCC2(C[NH+](Cc3ccc4ccccc4n3)C2)OC1 ZINC000247528793 206133329 /nfs/dbraw/zinc/13/33/29/206133329.db2.gz OBYRNYBUDIJSRY-OAHLLOKOSA-N 1 2 375.494 1.765 40 0 GDABLO Cc1ccc2[nH]c(C(=O)[O-])c(C[N@@H+]3CC[C@]4(Cc5c(nc(N)[nH+]c5N)O4)C3)c2c1 ZINC000257300451 206175136 /nfs/dbraw/zinc/17/51/36/206175136.db2.gz RUHSPWDWNLWMPS-FQEVSTJZSA-N 1 2 394.435 1.709 40 0 GDABLO Cc1ccc2[nH]c(C(=O)[O-])c(C[N@H+]3CC[C@]4(Cc5c(nc(N)[nH+]c5N)O4)C3)c2c1 ZINC000257300451 206175138 /nfs/dbraw/zinc/17/51/38/206175138.db2.gz RUHSPWDWNLWMPS-FQEVSTJZSA-N 1 2 394.435 1.709 40 0 GDABLO Cc1c(C(=O)N2CCO[C@H](c3cccc(-c4ccc(N)[nH+]c4)n3)C2)cnn1C ZINC000257249137 206166166 /nfs/dbraw/zinc/16/61/66/206166166.db2.gz JGYKKJRANOIYOX-SFHVURJKSA-N 1 2 378.436 1.981 40 0 GDABLO Cc1[nH+]cc(-c2cc(C)nc(CC3CCN(S(=O)(=O)N(C)C)CC3)n2)n1C ZINC000257335822 206182290 /nfs/dbraw/zinc/18/22/90/206182290.db2.gz YMANVZCRWSKSEO-UHFFFAOYSA-N 1 2 392.529 1.555 40 0 GDABLO CNC(=O)[C@H]1C[N@H+](Cc2ccnc(N3CCCC3)n2)CCN1Cc1ccccc1 ZINC000257344198 206183539 /nfs/dbraw/zinc/18/35/39/206183539.db2.gz ZWDKZIOSIIYRRL-HXUWFJFHSA-N 1 2 394.523 1.509 40 0 GDABLO CNC(=O)[C@H]1C[N@@H+](Cc2ccnc(N3CCCC3)n2)CCN1Cc1ccccc1 ZINC000257344198 206183542 /nfs/dbraw/zinc/18/35/42/206183542.db2.gz ZWDKZIOSIIYRRL-HXUWFJFHSA-N 1 2 394.523 1.509 40 0 GDABLO C[N@@H+]1CC[C@@H](COc2ncccc2F)CC12CN(S(=O)(=O)C(F)(F)F)C2 ZINC000306137743 206204768 /nfs/dbraw/zinc/20/47/68/206204768.db2.gz RESVLHLHMCUPPK-LLVKDONJSA-N 1 2 397.394 1.845 40 0 GDABLO C[N@H+]1CC[C@@H](COc2ncccc2F)CC12CN(S(=O)(=O)C(F)(F)F)C2 ZINC000306137743 206204771 /nfs/dbraw/zinc/20/47/71/206204771.db2.gz RESVLHLHMCUPPK-LLVKDONJSA-N 1 2 397.394 1.845 40 0 GDABLO Cn1c[nH+]c([C@H]2CN(C(=O)c3ccn(C)n3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306127776 206199878 /nfs/dbraw/zinc/19/98/78/206199878.db2.gz GHLKCRSXQJERJI-FOIQADDNSA-N 1 2 382.468 1.022 40 0 GDABLO O=C(c1ccccn1)N1CCc2[nH+]c(N3CCOCC3)nc(NC3CC3)c2C1 ZINC000096254145 136185980 /nfs/dbraw/zinc/18/59/80/136185980.db2.gz VKQIJTRXTIKJMM-UHFFFAOYSA-N 1 2 380.452 1.481 40 0 GDABLO O=C(Cc1ccccc1)N1C[C@H]2C[C@@H](O)CN2C2(C[NH+](Cc3ccccc3)C2)C1 ZINC000514288916 560033947 /nfs/dbraw/zinc/03/39/47/560033947.db2.gz GZZIMCNFQDOANM-FGZHOGPDSA-N 1 2 391.515 1.761 40 0 biogenic,in-vitro GDABLO CCN(c1ccc(OCC(=O)NCCCn2cc[nH+]c2)cc1)S(C)(=O)=O ZINC000019937806 570232289 /nfs/dbraw/zinc/23/22/89/570232289.db2.gz BJJZTNVMSLQOKY-UHFFFAOYSA-N 1 2 380.470 1.254 40 0 GDABLO COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3[nH+]c(N4CCCC4)nc(N)c32)cc1 ZINC000019974089 570234267 /nfs/dbraw/zinc/23/42/67/570234267.db2.gz LNMUYZAQGFJXPF-CYBMUJFWSA-N 1 2 382.424 1.732 40 0 GDABLO CCOC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2=O)CC1 ZINC000020634605 570273553 /nfs/dbraw/zinc/27/35/53/570273553.db2.gz QNBZJFBNKPCOIM-HNNXBMFYSA-N 1 2 388.420 1.365 40 0 GDABLO CCNc1nc(N2CC[NH+](CCO)CC2)nc2c1C(=O)C[C@@H](c1ccco1)C2 ZINC000020801945 570281621 /nfs/dbraw/zinc/28/16/21/570281621.db2.gz OGIHNCHWTMFWNN-AWEZNQCLSA-N 1 2 385.468 1.528 40 0 GDABLO Cc1cc(C)c(S(=O)(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000575420596 570308015 /nfs/dbraw/zinc/30/80/15/570308015.db2.gz CNOHHPAQFLDXHS-MRXNPFEDSA-N 1 2 388.555 1.351 40 0 GDABLO O=S1(=O)CC[C@H]([N@H+](C[C@H](O)CO)C(c2ccccc2)c2ccccc2)C1 ZINC000575422903 570309276 /nfs/dbraw/zinc/30/92/76/570309276.db2.gz XMZHZHXGZDNHJQ-OALUTQOASA-N 1 2 375.490 1.618 40 0 GDABLO O=S1(=O)CC[C@H]([N@@H+](C[C@H](O)CO)C(c2ccccc2)c2ccccc2)C1 ZINC000575422903 570309277 /nfs/dbraw/zinc/30/92/77/570309277.db2.gz XMZHZHXGZDNHJQ-OALUTQOASA-N 1 2 375.490 1.618 40 0 GDABLO COc1cc(C(=O)NCCCn2cc[nH+]c2)c(N(C)S(C)(=O)=O)cc1OC ZINC000022251428 570310897 /nfs/dbraw/zinc/31/08/97/570310897.db2.gz CPYQERDCRBLTNM-UHFFFAOYSA-N 1 2 396.469 1.116 40 0 GDABLO O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000030849305 570498271 /nfs/dbraw/zinc/49/82/71/570498271.db2.gz XUSZATILQJKJGP-UHFFFAOYSA-N 1 2 396.428 1.333 40 0 GDABLO CNC(=O)[C@H]1COC2(CN(C(=O)c3ccc4c(ccn4C)c3)C2)C[N@@H+]1CC1CC1 ZINC000575405798 570521961 /nfs/dbraw/zinc/52/19/61/570521961.db2.gz UIWOWYUHWGMKCH-LJQANCHMSA-N 1 2 396.491 1.230 40 0 GDABLO CNC(=O)[C@H]1COC2(CN(C(=O)c3ccc4c(ccn4C)c3)C2)C[N@H+]1CC1CC1 ZINC000575405798 570521964 /nfs/dbraw/zinc/52/19/64/570521964.db2.gz UIWOWYUHWGMKCH-LJQANCHMSA-N 1 2 396.491 1.230 40 0 GDABLO CCOc1ccc([C@@H](c2nnnn2CCOC)[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000004862250 570641200 /nfs/dbraw/zinc/64/12/00/570641200.db2.gz RDUNYSXVLIBYRF-KRWDZBQOSA-N 1 2 388.472 1.005 40 0 GDABLO CCS(=O)(=O)NCC[C@@H]1Cn2cccc2C[N@H+](Cc2cc(C)nn2C)C1 ZINC000585095593 570922110 /nfs/dbraw/zinc/92/21/10/570922110.db2.gz ZOTCHDMGJMAYFE-INIZCTEOSA-N 1 2 379.530 1.491 40 0 GDABLO CCS(=O)(=O)NCC[C@@H]1Cn2cccc2C[N@@H+](Cc2cc(C)nn2C)C1 ZINC000585095593 570922113 /nfs/dbraw/zinc/92/21/13/570922113.db2.gz ZOTCHDMGJMAYFE-INIZCTEOSA-N 1 2 379.530 1.491 40 0 GDABLO O=C(C[N@@H+]1CC[C@@]12CCCN(C(=O)c1nnsc1C1CC1)C2)N1CCCC1 ZINC000585101977 570927544 /nfs/dbraw/zinc/92/75/44/570927544.db2.gz NYJUKPVOSXTXDN-LJQANCHMSA-N 1 2 389.525 1.718 40 0 GDABLO O=C(C[N@H+]1CC[C@@]12CCCN(C(=O)c1nnsc1C1CC1)C2)N1CCCC1 ZINC000585101977 570927548 /nfs/dbraw/zinc/92/75/48/570927548.db2.gz NYJUKPVOSXTXDN-LJQANCHMSA-N 1 2 389.525 1.718 40 0 GDABLO CCc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=S)NC)cc2c1 ZINC000019822927 570930146 /nfs/dbraw/zinc/93/01/46/570930146.db2.gz GUPVWEWAYAONJO-UHFFFAOYSA-N 1 2 388.537 1.729 40 0 GDABLO Cc1ccc([C@H](O)C[NH+]2CCN(S(=O)(=O)N3CCCCC3)CC2)c(C)c1 ZINC000019132505 570958599 /nfs/dbraw/zinc/95/85/99/570958599.db2.gz CWZHHKHZDNHWBA-LJQANCHMSA-N 1 2 381.542 1.685 40 0 GDABLO O[C@H](CNc1ncc(-c2cnccn2)c(-c2cccs2)n1)C[NH+]1CCOCC1 ZINC000019343946 570976925 /nfs/dbraw/zinc/97/69/25/570976925.db2.gz GRAOXPXMUDIWPU-CQSZACIVSA-N 1 2 398.492 1.767 40 0 GDABLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(S(=O)(=O)C4CC4)CC3)C2=O)cs1 ZINC000096050120 571097066 /nfs/dbraw/zinc/09/70/66/571097066.db2.gz QLSUYUYKYZJADQ-UHFFFAOYSA-N 1 2 398.554 1.052 40 0 GDABLO Cc1nc(CN2CC[N@H+](C)C3(CCN(S(=O)(=O)C4CC4)CC3)C2=O)cs1 ZINC000096050120 571097069 /nfs/dbraw/zinc/09/70/69/571097069.db2.gz QLSUYUYKYZJADQ-UHFFFAOYSA-N 1 2 398.554 1.052 40 0 GDABLO C[NH+]1CCN(C(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000023227884 530573900 /nfs/dbraw/zinc/57/39/00/530573900.db2.gz YWQNXNHCYIAJKD-UHFFFAOYSA-N 1 2 383.539 1.337 40 0 GDABLO CCOC(=O)[C@@]12CN(S(C)(=O)=O)C[C@@H]1C[N@H+](Cc1nccs1)CCC2 ZINC000096055993 530817557 /nfs/dbraw/zinc/81/75/57/530817557.db2.gz GURRFRUERWYHAC-BBRMVZONSA-N 1 2 387.527 1.180 40 0 GDABLO CCOC(=O)[C@@]12CN(S(C)(=O)=O)C[C@@H]1C[N@@H+](Cc1nccs1)CCC2 ZINC000096055993 530817559 /nfs/dbraw/zinc/81/75/59/530817559.db2.gz GURRFRUERWYHAC-BBRMVZONSA-N 1 2 387.527 1.180 40 0 GDABLO CCN(CC)C(=O)COc1ccc([C@@H]2C(C(=O)OC)=C(C)[NH+]=C3N=CNN32)cc1 ZINC000334160592 203785048 /nfs/dbraw/zinc/78/50/48/203785048.db2.gz IGAAZHUYYLFBKQ-GOSISDBHSA-N 1 2 399.451 1.640 40 0 GDABLO COc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1N1CCCC1=O ZINC000044885365 205087650 /nfs/dbraw/zinc/08/76/50/205087650.db2.gz PDYBXTMNJKGCCZ-UHFFFAOYSA-N 1 2 378.454 1.387 40 0 GDABLO CCc1cc(=O)[nH]c(NC2CC[NH+](CC(=O)Nc3ccc(OC)cc3)CC2)n1 ZINC000072341833 205327717 /nfs/dbraw/zinc/32/77/17/205327717.db2.gz YSELKPCUXTULAN-UHFFFAOYSA-N 1 2 385.468 1.856 40 0 GDABLO Cn1cnc(S(=O)(=O)N2CC3(C2)OCC[C@@H]3CCNc2cccc[nH+]2)c1 ZINC000248044133 206136292 /nfs/dbraw/zinc/13/62/92/206136292.db2.gz PDCPJWQYGYARRM-AWEZNQCLSA-N 1 2 377.470 1.097 40 0 GDABLO Cc1cc(N2CCC[C@@](O)(CNC(=O)c3ccc4c(c3)ncn4C)C2)nc[nH+]1 ZINC000257279997 206171446 /nfs/dbraw/zinc/17/14/46/206171446.db2.gz OJBLYAFKGROBAO-HXUWFJFHSA-N 1 2 380.452 1.433 40 0 GDABLO O=C(NCc1cccs1)c1nnc2n1CCN1CC[N@@H+](Cc3ccoc3)C[C@H]21 ZINC000306139721 206204981 /nfs/dbraw/zinc/20/49/81/206204981.db2.gz TYKXNXKKTIEZLO-MRXNPFEDSA-N 1 2 398.492 1.735 40 0 GDABLO O=C(NCc1cccs1)c1nnc2n1CCN1CC[N@H+](Cc3ccoc3)C[C@H]21 ZINC000306139721 206204984 /nfs/dbraw/zinc/20/49/84/206204984.db2.gz TYKXNXKKTIEZLO-MRXNPFEDSA-N 1 2 398.492 1.735 40 0 GDABLO C[C@@H](CCc1ccccc1)Nc1nc(N2CCOCC2)nc(N2CCOCC2)[nH+]1 ZINC000000854120 136193093 /nfs/dbraw/zinc/19/30/93/136193093.db2.gz MZCKTQVUZLQBKA-KRWDZBQOSA-N 1 2 398.511 1.978 40 0 GDABLO C[C@@H](CCc1ccccc1)Nc1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC000000854120 136193095 /nfs/dbraw/zinc/19/30/95/136193095.db2.gz MZCKTQVUZLQBKA-KRWDZBQOSA-N 1 2 398.511 1.978 40 0 GDABLO O[C@@H]1C[C@H]2C[N@H+](Cc3cccnc3)CC3(CN(Cc4ccccc4F)C3)N2C1 ZINC000514290417 560029541 /nfs/dbraw/zinc/02/95/41/560029541.db2.gz YRTDFOPRXWXILV-VQTJNVASSA-N 1 2 382.483 1.726 40 0 biogenic,in-vitro GDABLO O[C@@H]1C[C@H]2C[N@@H+](Cc3cccnc3)CC3(CN(Cc4ccccc4F)C3)N2C1 ZINC000514290417 560029543 /nfs/dbraw/zinc/02/95/43/560029543.db2.gz YRTDFOPRXWXILV-VQTJNVASSA-N 1 2 382.483 1.726 40 0 biogenic,in-vitro GDABLO O=C(c1cccnc1)N1C[C@@H]2C[C@@H](O)C[N@H+]2C2(CN(CCc3ccccc3)C2)C1 ZINC000514288908 560033987 /nfs/dbraw/zinc/03/39/87/560033987.db2.gz GZBYVQVQZGSMED-LEWJYISDSA-N 1 2 392.503 1.270 40 0 biogenic,in-vitro GDABLO O=C(c1cccnc1)N1C[C@@H]2C[C@@H](O)C[N@@H+]2C2(CN(CCc3ccccc3)C2)C1 ZINC000514288908 560033988 /nfs/dbraw/zinc/03/39/88/560033988.db2.gz GZBYVQVQZGSMED-LEWJYISDSA-N 1 2 392.503 1.270 40 0 biogenic,in-vitro GDABLO CCN(CC(=O)NCCCn1cc[nH+]c1)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000019929930 570230948 /nfs/dbraw/zinc/23/09/48/570230948.db2.gz ZUDOHMDBDHZXST-UHFFFAOYSA-N 1 2 394.497 1.417 40 0 GDABLO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2=O)C1 ZINC000057523234 570364258 /nfs/dbraw/zinc/36/42/58/570364258.db2.gz NLHBEGYMXYVADH-WMLDXEAASA-N 1 2 387.436 1.552 40 0 GDABLO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2=O)C1 ZINC000057523234 570364260 /nfs/dbraw/zinc/36/42/60/570364260.db2.gz NLHBEGYMXYVADH-WMLDXEAASA-N 1 2 387.436 1.552 40 0 GDABLO CC[C@H](C(=O)NCC[NH+]1CCOCC1)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220573618 570388787 /nfs/dbraw/zinc/38/87/87/570388787.db2.gz FLVJUNDLIHUNAI-GOSISDBHSA-N 1 2 397.541 1.296 40 0 GDABLO CCOc1ccc([C@H](c2nnnn2CCOC)[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000004862251 570641265 /nfs/dbraw/zinc/64/12/65/570641265.db2.gz RDUNYSXVLIBYRF-QGZVFWFLSA-N 1 2 388.472 1.005 40 0 GDABLO COCCn1nnnc1C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccccc1)C2 ZINC000004888395 570643277 /nfs/dbraw/zinc/64/32/77/570643277.db2.gz ZHWPSQFUJOBFQA-AYHJJNSGSA-N 1 2 384.484 1.635 40 0 GDABLO COCCn1nnnc1C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccccc1)C2 ZINC000004888395 570643279 /nfs/dbraw/zinc/64/32/79/570643279.db2.gz ZHWPSQFUJOBFQA-AYHJJNSGSA-N 1 2 384.484 1.635 40 0 GDABLO CC(=O)Nc1ccc(-c2c[nH+]c3n2CCN(C(=O)[C@H]2CCC(=O)N2)CC3)cc1 ZINC000585111627 570942438 /nfs/dbraw/zinc/94/24/38/570942438.db2.gz YMNFVJQPHGLYRV-MRXNPFEDSA-N 1 2 381.436 1.172 40 0 GDABLO Cc1ccc(CN2CCc3oc(C(=O)NC[C@@H]4C[N@H+](C)CCO4)nc3C2)cc1 ZINC000585112417 570942642 /nfs/dbraw/zinc/94/26/42/570942642.db2.gz PNGCCMKKBUIZJT-QGZVFWFLSA-N 1 2 384.480 1.602 40 0 GDABLO Cc1ccc(CN2CCc3oc(C(=O)NC[C@@H]4C[N@@H+](C)CCO4)nc3C2)cc1 ZINC000585112417 570942644 /nfs/dbraw/zinc/94/26/44/570942644.db2.gz PNGCCMKKBUIZJT-QGZVFWFLSA-N 1 2 384.480 1.602 40 0 GDABLO CC(C)(C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1)n1cncn1 ZINC000019080908 570956316 /nfs/dbraw/zinc/95/63/16/570956316.db2.gz HNMBHPOCPCIOJH-UHFFFAOYSA-N 1 2 377.876 1.890 40 0 GDABLO Cc1csc2c(C3CCN(C(=O)CC[C@@H]4NC(=O)NC4=O)CC3)[nH+]c(C)n12 ZINC000019240538 570969298 /nfs/dbraw/zinc/96/92/98/570969298.db2.gz SNDDHOAMKKGTDF-ZDUSSCGKSA-N 1 2 389.481 1.707 40 0 GDABLO O=C(CCn1cc[nH+]c1)N1CCC(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000019345451 570977543 /nfs/dbraw/zinc/97/75/43/570977543.db2.gz FUBKAMJOMWJFGN-UHFFFAOYSA-N 1 2 382.420 1.726 40 0 GDABLO O=C(CCn1cc[nH+]c1)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1 ZINC000019403574 570982743 /nfs/dbraw/zinc/98/27/43/570982743.db2.gz RAJADWRAFHBILA-UHFFFAOYSA-N 1 2 384.465 1.886 40 0 GDABLO CCn1cc(C[NH+]2CCN(C(=O)[C@@H]3COc4ccc(OC)cc4C3)CC2)cn1 ZINC000019524954 570996707 /nfs/dbraw/zinc/99/67/07/570996707.db2.gz URPQVPODIFUJGY-SFHVURJKSA-N 1 2 384.480 1.807 40 0 GDABLO CCc1[nH+]c2ccccc2n1C[C@@H](C)C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000019659430 571024839 /nfs/dbraw/zinc/02/48/39/571024839.db2.gz XSLBJPMQJAPGCG-CQSZACIVSA-N 1 2 397.479 1.778 40 0 GDABLO Cc1cnn(CC(=O)N2CCC[C@@H]2c2ccc(C(=O)N3CC[NH+](C)CC3)cn2)c1 ZINC000019708205 571033285 /nfs/dbraw/zinc/03/32/85/571033285.db2.gz KAHDDWFJTDEPMR-LJQANCHMSA-N 1 2 396.495 1.338 40 0 GDABLO CCc1nn(CC(=O)NCCCn2cc[nH+]c2)c(=O)c2cc3sc(C)cc3n21 ZINC000012087406 204370910 /nfs/dbraw/zinc/37/09/10/204370910.db2.gz OSDPYHWWEPPPOS-UHFFFAOYSA-N 1 2 398.492 1.985 40 0 GDABLO CC[NH+]1CCN(C2=[NH+][C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)C=C([O-])N2)CC1 ZINC000014606954 205896670 /nfs/dbraw/zinc/89/66/70/205896670.db2.gz ZLPHOGMIYAWPHY-CQSZACIVSA-N 1 2 397.401 1.526 40 0 GDABLO Cc1[nH+]cc(-c2cncc(C[C@@H]3CCCN(S(=O)(=O)N(C)C)C3)n2)n1C ZINC000257218276 206160354 /nfs/dbraw/zinc/16/03/54/206160354.db2.gz DCMYANOBJGWSQP-AWEZNQCLSA-N 1 2 378.502 1.246 40 0 GDABLO O=C(NC[C@]1(O)CCCN(c2cnccn2)C1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000257229518 206162219 /nfs/dbraw/zinc/16/22/19/206162219.db2.gz FYJRZBZURXZAPD-OAQYLSRUSA-N 1 2 392.463 1.483 40 0 GDABLO CC[N@H+](Cc1cc(C)c(O)c(C(=O)[O-])c1)C[C@@]1(C)Cc2c(nc(N)[nH+]c2N)O1 ZINC000257290375 206173649 /nfs/dbraw/zinc/17/36/49/206173649.db2.gz QCSLMXCZEYFHKK-LJQANCHMSA-N 1 2 387.440 1.569 40 0 GDABLO CC[N@@H+](Cc1cc(C)c(O)c(C(=O)[O-])c1)C[C@@]1(C)Cc2c(nc(N)[nH+]c2N)O1 ZINC000257290375 206173652 /nfs/dbraw/zinc/17/36/52/206173652.db2.gz QCSLMXCZEYFHKK-LJQANCHMSA-N 1 2 387.440 1.569 40 0 GDABLO CNC(=O)[C@H]1CN(C(=O)Cc2ccc3nc(N)sc3c2)CC[N@@H+]1C(C)C ZINC000257292793 206175348 /nfs/dbraw/zinc/17/53/48/206175348.db2.gz QMYVALGCXQJVGO-CQSZACIVSA-N 1 2 375.498 1.088 40 0 GDABLO CNC(=O)[C@H]1CN(C(=O)Cc2ccc3nc(N)sc3c2)CC[N@H+]1C(C)C ZINC000257292793 206175351 /nfs/dbraw/zinc/17/53/51/206175351.db2.gz QMYVALGCXQJVGO-CQSZACIVSA-N 1 2 375.498 1.088 40 0 GDABLO O=S(=O)(NCC[C@@H]1Cn2nccc2C[N@H+](Cc2ccccn2)C1)C1CC1 ZINC000306142562 206207562 /nfs/dbraw/zinc/20/75/62/206207562.db2.gz XDIPTHPCSLITFA-HNNXBMFYSA-N 1 2 375.498 1.382 40 0 GDABLO O=S(=O)(NCC[C@@H]1Cn2nccc2C[N@@H+](Cc2ccccn2)C1)C1CC1 ZINC000306142562 206207565 /nfs/dbraw/zinc/20/75/65/206207565.db2.gz XDIPTHPCSLITFA-HNNXBMFYSA-N 1 2 375.498 1.382 40 0 GDABLO Cc1cc(C(=O)N2CCc3[nH+]c(N4CCOCC4)nc(N(C)C)c3CC2)c(C)o1 ZINC000096254894 136185850 /nfs/dbraw/zinc/18/58/50/136185850.db2.gz KIUFIUVGLACWCV-UHFFFAOYSA-N 1 2 399.495 1.830 40 0 GDABLO COCC(=O)N[C@H]1[C@H](c2ccccc2)[N@H+](Cc2nccs2)CC[C@@]1(C)O ZINC000514289961 560031110 /nfs/dbraw/zinc/03/11/10/560031110.db2.gz PUQOCFDRIWGXLZ-GBESFXJTSA-N 1 2 375.494 1.972 40 0 biogenic,in-vitro GDABLO COCC(=O)N[C@H]1[C@H](c2ccccc2)[N@@H+](Cc2nccs2)CC[C@@]1(C)O ZINC000514289961 560031111 /nfs/dbraw/zinc/03/11/11/560031111.db2.gz PUQOCFDRIWGXLZ-GBESFXJTSA-N 1 2 375.494 1.972 40 0 biogenic,in-vitro GDABLO COc1ccccc1[C@H]1CC(=O)c2c(C)nc(N3CC[NH+](CCO)CC3)nc2C1 ZINC000021123190 570291402 /nfs/dbraw/zinc/29/14/02/570291402.db2.gz BHBNBVSKXQENLU-MRXNPFEDSA-N 1 2 396.491 1.821 40 0 GDABLO O=C(NCCCn1cc[nH+]c1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000216290037 570298329 /nfs/dbraw/zinc/29/83/29/570298329.db2.gz RZOVVSNYZYGJIR-UHFFFAOYSA-N 1 2 376.482 1.629 40 0 GDABLO COc1ccc([C@H](CNC(=O)N[C@]2(C)CCS(=O)(=O)C2)[NH+]2CCCC2)cc1 ZINC000575421074 570306929 /nfs/dbraw/zinc/30/69/29/570306929.db2.gz HNFJFOZSDLRNIY-PKOBYXMFSA-N 1 2 395.525 1.709 40 0 GDABLO Cc1cc(C[N@H+]2Cc3cccn3C[C@@H](CCNS(=O)(=O)C3CC3)C2)no1 ZINC000585095313 570921823 /nfs/dbraw/zinc/92/18/23/570921823.db2.gz OYNGIFBCGXIJSF-HNNXBMFYSA-N 1 2 378.498 1.888 40 0 GDABLO Cc1cc(C[N@@H+]2Cc3cccn3C[C@@H](CCNS(=O)(=O)C3CC3)C2)no1 ZINC000585095313 570921825 /nfs/dbraw/zinc/92/18/25/570921825.db2.gz OYNGIFBCGXIJSF-HNNXBMFYSA-N 1 2 378.498 1.888 40 0 GDABLO Cc1ccc(S(=O)(=O)N2Cc3c[nH+]cn3[C@@H](C(=O)N3CCCO3)C2)cc1 ZINC000585096049 570922767 /nfs/dbraw/zinc/92/27/67/570922767.db2.gz OWOXWOKRIABJOX-MRXNPFEDSA-N 1 2 376.438 1.101 40 0 GDABLO CCc1[nH+]c2ccccc2n1C[C@H](C)C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000019659432 571024825 /nfs/dbraw/zinc/02/48/25/571024825.db2.gz XSLBJPMQJAPGCG-AWEZNQCLSA-N 1 2 397.479 1.778 40 0 GDABLO COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H]1c1nnc2n1CC[NH2+]C2 ZINC000019705500 571031481 /nfs/dbraw/zinc/03/14/81/571031481.db2.gz CTBNNKOZHIZUDP-GFCCVEGCSA-N 1 2 381.433 1.055 40 0 GDABLO C[C@H]1C[N@H+](Cc2ncccn2)C[C@@H]1c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1 ZINC000504268749 231306606 /nfs/dbraw/zinc/30/66/06/231306606.db2.gz IWXUVYOOUMLUTQ-BBRMVZONSA-N 1 2 395.467 1.909 40 0 GDABLO C[C@H]1C[N@@H+](Cc2ncccn2)C[C@@H]1c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1 ZINC000504268749 231306610 /nfs/dbraw/zinc/30/66/10/231306610.db2.gz IWXUVYOOUMLUTQ-BBRMVZONSA-N 1 2 395.467 1.909 40 0 GDABLO Cc1nn2c(nnc3c2ccn(N2CC[NH+](C)CC2)c3=O)c1-c1ccc(F)cc1 ZINC000040391938 205062853 /nfs/dbraw/zinc/06/28/53/205062853.db2.gz CQRGTVAXEZVJSH-UHFFFAOYSA-N 1 2 393.426 1.437 40 0 GDABLO CC[NH+](CC)Cc1nnc2sc(CCN3C(=O)c4ccccc4C3=O)nn12 ZINC000071260577 205277590 /nfs/dbraw/zinc/27/75/90/205277590.db2.gz WSQAISXJFGHADN-UHFFFAOYSA-N 1 2 384.465 1.866 40 0 GDABLO COc1ccccc1NC(=O)N1CCN2C(=O)N(Cc3[nH+]ccn3C)C[C@H]2C1 ZINC000096269106 206120787 /nfs/dbraw/zinc/12/07/87/206120787.db2.gz JZKXSPJQPKXOGA-CQSZACIVSA-N 1 2 384.440 1.583 40 0 biogenic,in-vitro GDABLO CNC(=O)[C@H]1CN(C(=O)CCn2nccc2C)CC[N@@H+]1CCc1ccccc1 ZINC000257214870 206160659 /nfs/dbraw/zinc/16/06/59/206160659.db2.gz CNUQPQIDQLEOEF-LJQANCHMSA-N 1 2 383.496 1.083 40 0 GDABLO CNC(=O)[C@H]1CN(C(=O)CCn2nccc2C)CC[N@H+]1CCc1ccccc1 ZINC000257214870 206160663 /nfs/dbraw/zinc/16/06/63/206160663.db2.gz CNUQPQIDQLEOEF-LJQANCHMSA-N 1 2 383.496 1.083 40 0 GDABLO O=C(NC[C@@]1(O)CCN(c2cnccn2)C1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000257295528 206174138 /nfs/dbraw/zinc/17/41/38/206174138.db2.gz QYRGVAZUCLRZPF-FQEVSTJZSA-N 1 2 378.436 1.093 40 0 GDABLO CC[N@H+](Cc1ccccc1OCC(=O)[O-])C[C@]1(C)Cc2c(nc(N)[nH+]c2N)O1 ZINC000257305184 206176879 /nfs/dbraw/zinc/17/68/79/206176879.db2.gz SOTMFHKPBCTQKZ-IBGZPJMESA-N 1 2 387.440 1.320 40 0 GDABLO CC[N@@H+](Cc1ccccc1OCC(=O)[O-])C[C@]1(C)Cc2c(nc(N)[nH+]c2N)O1 ZINC000257305184 206176881 /nfs/dbraw/zinc/17/68/81/206176881.db2.gz SOTMFHKPBCTQKZ-IBGZPJMESA-N 1 2 387.440 1.320 40 0 GDABLO CC(=O)NCc1cccc(-c2cccnc2C(=O)NCC[NH+]2CCOCC2)c1 ZINC000257305997 206177467 /nfs/dbraw/zinc/17/74/67/206177467.db2.gz SSLNLSZDYNLIFY-UHFFFAOYSA-N 1 2 382.464 1.447 40 0 GDABLO Cc1cc(C)n(CCNC(=O)[C@@]2(C)CCCN(C(=O)CCn3cc[nH+]c3)C2)n1 ZINC000257275246 206170848 /nfs/dbraw/zinc/17/08/48/206170848.db2.gz NONFIKPCAHBWIZ-FQEVSTJZSA-N 1 2 386.500 1.532 40 0 GDABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@](COc2cccc(Cl)c2)(CC(N)=O)C1 ZINC000257336910 206181894 /nfs/dbraw/zinc/18/18/94/206181894.db2.gz YQNKFIACZQTZSU-LJQANCHMSA-N 1 2 392.887 1.907 40 0 GDABLO Cc1nn(C)cc1C[N@H+]1CCO[C@](COc2cccc(Cl)c2)(CC(N)=O)C1 ZINC000257336910 206181899 /nfs/dbraw/zinc/18/18/99/206181899.db2.gz YQNKFIACZQTZSU-LJQANCHMSA-N 1 2 392.887 1.907 40 0 GDABLO Cc1ccccc1C(=O)N1CCc2[nH+]c(N3CCOCC3)nc(N(C)C)c2CC1 ZINC000096254884 136185860 /nfs/dbraw/zinc/18/58/60/136185860.db2.gz ZDBGFVPFZCKQBA-UHFFFAOYSA-N 1 2 395.507 1.929 40 0 GDABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NCC(C)C)cc2)CC1 ZINC000408612070 529150446 /nfs/dbraw/zinc/15/04/46/529150446.db2.gz YDAXYKOEPVETKW-INIZCTEOSA-N 1 2 397.541 1.552 40 0 GDABLO O=C(c1ccccc1)N1CC2(C1)CN(Cc1ccccc1)C[C@@H]1C[C@@H](O)C[N@H+]12 ZINC000514289519 560032416 /nfs/dbraw/zinc/03/24/16/560032416.db2.gz NCOGBHWGQDWVCX-LEWJYISDSA-N 1 2 377.488 1.832 40 0 biogenic,in-vitro GDABLO O=C(c1ccccc1)N1CC2(C1)CN(Cc1ccccc1)C[C@@H]1C[C@@H](O)C[N@@H+]12 ZINC000514289519 560032417 /nfs/dbraw/zinc/03/24/17/560032417.db2.gz NCOGBHWGQDWVCX-LEWJYISDSA-N 1 2 377.488 1.832 40 0 biogenic,in-vitro GDABLO CC(C)n1c[nH+]c2c1[C@H](C(=O)NCCc1ccccc1)N(S(C)(=O)=O)CC2 ZINC000096147258 570214183 /nfs/dbraw/zinc/21/41/83/570214183.db2.gz BXRJMPLTMZFJMO-GOSISDBHSA-N 1 2 390.509 1.682 40 0 GDABLO Cc1c[nH+]c2n1CCN(S(C)(=O)=O)C21CCN(C(=O)c2ccccc2)CC1 ZINC000096263280 570226487 /nfs/dbraw/zinc/22/64/87/570226487.db2.gz KSLQXGZDSSKTBR-UHFFFAOYSA-N 1 2 388.493 1.598 40 0 GDABLO CS(=O)(=O)N1CC[NH+]([C@H]2CCC[C@@H](Oc3ccc(Cl)cc3)[C@@H]2O)CC1 ZINC000585290468 570258653 /nfs/dbraw/zinc/25/86/53/570258653.db2.gz WNYXOORYELTDTC-GVDBMIGSSA-N 1 2 388.917 1.578 40 0 GDABLO CCn1c(=O)c2c(nc3n2CC(C)=[NH+]N3Cc2cccc(Cl)c2)n(C)c1=O ZINC000010329015 570264160 /nfs/dbraw/zinc/26/41/60/570264160.db2.gz DJTFUWKKHRDCNC-UHFFFAOYSA-N 1 2 386.843 1.966 40 0 GDABLO COc1ccc([C@H](CNC(=O)N[C@H]2CCS(=O)(=O)C2)[NH+]2CCCC2)cc1 ZINC000052634766 570420058 /nfs/dbraw/zinc/42/00/58/570420058.db2.gz VSZXMWRMPFCCJY-RDJZCZTQSA-N 1 2 381.498 1.318 40 0 GDABLO O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000138262497 570486344 /nfs/dbraw/zinc/48/63/44/570486344.db2.gz RCVYINALNDQECD-HDICACEKSA-N 1 2 378.432 1.830 40 0 GDABLO Cc1nc(NC2CC[NH+](Cc3nnnn3Cc3ccccc3)CC2)[nH]c(=O)c1C ZINC000005625780 570665624 /nfs/dbraw/zinc/66/56/24/570665624.db2.gz KIRVRBGFBVGREW-UHFFFAOYSA-N 1 2 394.483 1.498 40 0 GDABLO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)N3CCCC(C)(C)C3)c2)CC1 ZINC000172004457 570792997 /nfs/dbraw/zinc/79/29/97/570792997.db2.gz XLZVJMDGXHSOLZ-UHFFFAOYSA-N 1 2 379.526 1.885 40 0 GDABLO C[N@@H+]1CCC[C@@H]1c1nnc2n1CCN(S(=O)(=O)c1ccccc1Cl)CC2 ZINC000019706518 571032466 /nfs/dbraw/zinc/03/24/66/571032466.db2.gz AIJRQZUUDGRJJM-CQSZACIVSA-N 1 2 395.916 1.945 40 0 GDABLO C[N@H+]1CCC[C@@H]1c1nnc2n1CCN(S(=O)(=O)c1ccccc1Cl)CC2 ZINC000019706518 571032469 /nfs/dbraw/zinc/03/24/69/571032469.db2.gz AIJRQZUUDGRJJM-CQSZACIVSA-N 1 2 395.916 1.945 40 0 GDABLO CCn1nccc1C(=O)N1CCC[C@H]1c1ccc(C(=O)N2CC[NH+](C)CC2)cn1 ZINC000019708202 571033120 /nfs/dbraw/zinc/03/31/20/571033120.db2.gz GRROXFLGDAHDQK-SFHVURJKSA-N 1 2 396.495 1.663 40 0 GDABLO COc1cccc(N(C)CCC(=O)N2CCC[C@H](c3nnc4n3CC[NH2+]C4)C2)c1 ZINC000019710971 571034495 /nfs/dbraw/zinc/03/44/95/571034495.db2.gz RGUPCWFGGYFZKI-INIZCTEOSA-N 1 2 398.511 1.622 40 0 GDABLO C[C@@H](Oc1ccccc1F)C(=O)N1CCN(c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000070641060 205023585 /nfs/dbraw/zinc/02/35/85/205023585.db2.gz RLSXFGOYSWOQFQ-OAHLLOKOSA-N 1 2 396.426 1.918 40 0 GDABLO Cn1c(COCC(=O)N2CC[C@H](O)[C@@H](n3cc[nH+]c3)CC2)nc2ccccc21 ZINC000257251941 206165598 /nfs/dbraw/zinc/16/55/98/206165598.db2.gz JSXWWIVFVROLLP-ROUUACIJSA-N 1 2 383.452 1.511 40 0 GDABLO Cc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3NC(=O)c2ccoc2)oc1C ZINC000306140296 206204389 /nfs/dbraw/zinc/20/43/89/206204389.db2.gz UPAZITKDCVFZQV-KZNAEPCWSA-N 1 2 392.477 1.907 40 0 GDABLO Cc1cc(C[N@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3NC(=O)c2ccoc2)oc1C ZINC000306140296 206204395 /nfs/dbraw/zinc/20/43/95/206204395.db2.gz UPAZITKDCVFZQV-KZNAEPCWSA-N 1 2 392.477 1.907 40 0 GDABLO CC(C)C(=O)NC[C@@H]1CC2(CC[NH+](Cc3cccc(S(C)(=O)=O)c3)CC2)O1 ZINC000306130559 206200125 /nfs/dbraw/zinc/20/01/25/206200125.db2.gz JJSSTQVAJXUWNI-KRWDZBQOSA-N 1 2 394.537 1.986 40 0 GDABLO CN(C)c1ncc(C[NH+]2CC(C(=O)N3CCN(c4ccccc4)CC3)C2)cn1 ZINC000019747406 570213952 /nfs/dbraw/zinc/21/39/52/570213952.db2.gz ZGAHNDLIOZNTPQ-UHFFFAOYSA-N 1 2 380.496 1.323 40 0 GDABLO Nc1nc(N2CCCC2)[nH+]c2c1[C@H](C(=O)NCCc1ccccc1)CC(=O)N2 ZINC000019820004 570222273 /nfs/dbraw/zinc/22/22/73/570222273.db2.gz WKGMBEZJKJLWLD-CQSZACIVSA-N 1 2 380.452 1.444 40 0 GDABLO Nc1nc(N2CCOCC2)[nH+]c2c1[C@@H](C(=O)Nc1ccccc1F)CC(=O)N2 ZINC000019819937 570222517 /nfs/dbraw/zinc/22/25/17/570222517.db2.gz MDGJUVGTJQEWOP-JTQLQIEISA-N 1 2 386.387 1.099 40 0 GDABLO O=S1(=O)Cc2cnc(NCc3cccnc3)nc2[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC000096252092 570225083 /nfs/dbraw/zinc/22/50/83/570225083.db2.gz WVKGWVUMVHRIDD-DLBZAZTESA-N 1 2 385.493 1.590 40 0 GDABLO O=S1(=O)Cc2cnc(NCc3cccnc3)nc2[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC000096252092 570225085 /nfs/dbraw/zinc/22/50/85/570225085.db2.gz WVKGWVUMVHRIDD-DLBZAZTESA-N 1 2 385.493 1.590 40 0 GDABLO CCOC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3cc(OC)ccc3OC)C2=O)CC1 ZINC000104346246 570301551 /nfs/dbraw/zinc/30/15/51/570301551.db2.gz QUIPUWHZJWDDLH-MRXNPFEDSA-N 1 2 390.436 1.611 40 0 GDABLO COc1ccc([C@H](CNC(=S)N[C@@H]2C=CS(=O)(=O)C2)[NH+]2CCCC2)cc1 ZINC000575423875 570309287 /nfs/dbraw/zinc/30/92/87/570309287.db2.gz SEYLUQVCBJNJQW-WBVHZDCISA-N 1 2 395.550 1.607 40 0 GDABLO COc1ccc([C@H](CNC(=S)N[C@@H]2CCS(=O)(=O)C2)[NH+]2CCCC2)cc1 ZINC000575425040 570310511 /nfs/dbraw/zinc/31/05/11/570310511.db2.gz XIFVEURXKZTIQD-WBVHZDCISA-N 1 2 397.566 1.483 40 0 GDABLO Cc1ccc(N(CCCC(=O)NCC[NH+]2CCOCC2)S(C)(=O)=O)cc1C ZINC000022874117 570332566 /nfs/dbraw/zinc/33/25/66/570332566.db2.gz TVWIGJVWXISJCS-UHFFFAOYSA-N 1 2 397.541 1.298 40 0 GDABLO COCCn1c(C)cc(O)c([C@H](c2ccc(OC)cc2)[NH+]2CCOCC2)c1=O ZINC000016739840 570403377 /nfs/dbraw/zinc/40/33/77/570403377.db2.gz QRKKXCNJTJQCEJ-FQEVSTJZSA-N 1 2 388.464 1.939 40 0 GDABLO O=C(C1CCC1)N1CC2(C1)C[N@H+](CC1CC1)[C@H](C(=O)N1CCCCO1)CO2 ZINC000575404226 570520414 /nfs/dbraw/zinc/52/04/14/570520414.db2.gz MGNJLDOTRWHFLH-KRWDZBQOSA-N 1 2 377.485 1.032 40 0 GDABLO O=C(C1CCC1)N1CC2(C1)C[N@@H+](CC1CC1)[C@H](C(=O)N1CCCCO1)CO2 ZINC000575404226 570520418 /nfs/dbraw/zinc/52/04/18/570520418.db2.gz MGNJLDOTRWHFLH-KRWDZBQOSA-N 1 2 377.485 1.032 40 0 GDABLO CNC(=O)[C@@H]1COC2(CN(C(=O)c3ccc4c(ccn4C)c3)C2)C[N@@H+]1CC1CC1 ZINC000575405795 570521934 /nfs/dbraw/zinc/52/19/34/570521934.db2.gz UIWOWYUHWGMKCH-IBGZPJMESA-N 1 2 396.491 1.230 40 0 GDABLO CNC(=O)[C@@H]1COC2(CN(C(=O)c3ccc4c(ccn4C)c3)C2)C[N@H+]1CC1CC1 ZINC000575405795 570521937 /nfs/dbraw/zinc/52/19/37/570521937.db2.gz UIWOWYUHWGMKCH-IBGZPJMESA-N 1 2 396.491 1.230 40 0 GDABLO C[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccccc2)CC1 ZINC000028206649 570528556 /nfs/dbraw/zinc/52/85/56/570528556.db2.gz DBHJGMDFCGCOKB-UHFFFAOYSA-N 1 2 385.489 1.826 40 0 GDABLO C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000012481538 570807218 /nfs/dbraw/zinc/80/72/18/570807218.db2.gz NSTJLCQVEVEDON-QAPCUYQASA-N 1 2 379.526 1.931 40 0 GDABLO C[N@H+](CC(=O)N1CC(=O)Nc2ccccc21)Cc1ccccc1N1CCOCC1 ZINC000015038545 570873043 /nfs/dbraw/zinc/87/30/43/570873043.db2.gz SVLFPVHCPRBECC-UHFFFAOYSA-N 1 2 394.475 1.940 40 0 GDABLO C[N@@H+](CC(=O)N1CC(=O)Nc2ccccc21)Cc1ccccc1N1CCOCC1 ZINC000015038545 570873044 /nfs/dbraw/zinc/87/30/44/570873044.db2.gz SVLFPVHCPRBECC-UHFFFAOYSA-N 1 2 394.475 1.940 40 0 GDABLO CCOC(=O)[C@]1(CCSC)[NH2+][C@@H](c2cccc(C)c2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000019529674 570928688 /nfs/dbraw/zinc/92/86/88/570928688.db2.gz WTOCGNZAHARIQO-KSVNGYGVSA-N 1 2 390.505 1.925 40 0 GDABLO CC(C)(C)OC(=O)N1CC[NH+](C[C@@H](O)CNC(=O)OCc2ccccc2)CC1 ZINC000044137897 570948143 /nfs/dbraw/zinc/94/81/43/570948143.db2.gz QCAHFWOAJKCBGX-KRWDZBQOSA-N 1 2 393.484 1.826 40 0 GDABLO O[C@@H](CNc1ncc(-c2cnccn2)c(-c2cccs2)n1)C[NH+]1CCOCC1 ZINC000019343943 570976951 /nfs/dbraw/zinc/97/69/51/570976951.db2.gz GRAOXPXMUDIWPU-AWEZNQCLSA-N 1 2 398.492 1.767 40 0 GDABLO O=C(COC[C@@H]1COc2ccccc2O1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000019375746 570982015 /nfs/dbraw/zinc/98/20/15/570982015.db2.gz KMXJMYHWXGHOFK-QGZVFWFLSA-N 1 2 383.448 1.977 40 0 GDABLO CC(C)c1ccc(N(CC(=O)NCC[NH+]2CCOCC2)S(C)(=O)=O)cc1 ZINC000243078311 570986241 /nfs/dbraw/zinc/98/62/41/570986241.db2.gz IPFPIXOBWBNQJJ-UHFFFAOYSA-N 1 2 383.514 1.024 40 0 GDABLO COc1ccc(C[N@@H+]2CCc3nc(-c4cnccn4)[nH]c(=O)c3C2)cc1OC ZINC000019561137 571005316 /nfs/dbraw/zinc/00/53/16/571005316.db2.gz LEIJHMYNYVDMFO-UHFFFAOYSA-N 1 2 379.420 1.802 40 0 GDABLO COc1ccc(C[N@H+]2CCc3nc(-c4cnccn4)[nH]c(=O)c3C2)cc1OC ZINC000019561137 571005318 /nfs/dbraw/zinc/00/53/18/571005318.db2.gz LEIJHMYNYVDMFO-UHFFFAOYSA-N 1 2 379.420 1.802 40 0 GDABLO Cn1cc(C(=O)NCc2cc(=O)n3c(n2)C[N@@H+](Cc2ccsc2)CCC3)cn1 ZINC000096059655 571098522 /nfs/dbraw/zinc/09/85/22/571098522.db2.gz CVEQSNPPQUJGTE-UHFFFAOYSA-N 1 2 398.492 1.374 40 0 GDABLO Cn1cc(C(=O)NCc2cc(=O)n3c(n2)C[N@H+](Cc2ccsc2)CCC3)cn1 ZINC000096059655 571098524 /nfs/dbraw/zinc/09/85/24/571098524.db2.gz CVEQSNPPQUJGTE-UHFFFAOYSA-N 1 2 398.492 1.374 40 0 GDABLO Cn1cnc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2nccs2)C3)c1 ZINC000096215762 530818370 /nfs/dbraw/zinc/81/83/70/530818370.db2.gz DXHFDAFWNSDGEY-INIZCTEOSA-N 1 2 381.527 1.553 40 0 GDABLO Cn1cnc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2nccs2)C3)c1 ZINC000096215762 530818374 /nfs/dbraw/zinc/81/83/74/530818374.db2.gz DXHFDAFWNSDGEY-INIZCTEOSA-N 1 2 381.527 1.553 40 0 GDABLO O=C(NCCO)c1cc([C@@H]2C[N@H+](Cc3ccccn3)CCO2)nc2ccccc21 ZINC000072354990 205333312 /nfs/dbraw/zinc/33/33/12/205333312.db2.gz AOUGLVFBZRLISU-NRFANRHFSA-N 1 2 392.459 1.925 40 0 GDABLO O=C(NCCO)c1cc([C@@H]2C[N@@H+](Cc3ccccn3)CCO2)nc2ccccc21 ZINC000072354990 205333316 /nfs/dbraw/zinc/33/33/16/205333316.db2.gz AOUGLVFBZRLISU-NRFANRHFSA-N 1 2 392.459 1.925 40 0 GDABLO CN(C)C(=O)C[N@@H+]1CCC[C@@H](c2nccnc2Oc2ccc(C(N)=O)cc2)C1 ZINC000072362436 205336109 /nfs/dbraw/zinc/33/61/09/205336109.db2.gz BSEMNRXIFIELJS-OAHLLOKOSA-N 1 2 383.452 1.635 40 0 GDABLO CN(C)C(=O)C[N@H+]1CCC[C@@H](c2nccnc2Oc2ccc(C(N)=O)cc2)C1 ZINC000072362436 205336112 /nfs/dbraw/zinc/33/61/12/205336112.db2.gz BSEMNRXIFIELJS-OAHLLOKOSA-N 1 2 383.452 1.635 40 0 GDABLO CC(C)[N@@H+]1CCN(C(=O)CCn2c3ccc(Cl)cc3oc2=O)C[C@@H]1C(N)=O ZINC000257207542 206159374 /nfs/dbraw/zinc/15/93/74/206159374.db2.gz BIFQECLXXWVUSD-CQSZACIVSA-N 1 2 394.859 1.045 40 0 GDABLO CC(C)[N@H+]1CCN(C(=O)CCn2c3ccc(Cl)cc3oc2=O)C[C@@H]1C(N)=O ZINC000257207542 206159379 /nfs/dbraw/zinc/15/93/79/206159379.db2.gz BIFQECLXXWVUSD-CQSZACIVSA-N 1 2 394.859 1.045 40 0 GDABLO C[N@@H+]1CCN2C(=O)c3ccccc3OCC[C@@H]3CC=C[C@@H](CNC(=O)[C@@H]2C1)O3 ZINC000253400894 206145666 /nfs/dbraw/zinc/14/56/66/206145666.db2.gz MDJCVQWBZNBGQR-BQFCYCMXSA-N 1 2 385.464 1.055 40 0 GDABLO C[N@H+]1CCN2C(=O)c3ccccc3OCC[C@@H]3CC=C[C@@H](CNC(=O)[C@@H]2C1)O3 ZINC000253400894 206145673 /nfs/dbraw/zinc/14/56/73/206145673.db2.gz MDJCVQWBZNBGQR-BQFCYCMXSA-N 1 2 385.464 1.055 40 0 GDABLO CCn1c2ccc(NC(=O)C[N@@H+]3C[C@@H](OC)[C@@]4(CCCO4)C3)cc2oc1=O ZINC000257298677 206174438 /nfs/dbraw/zinc/17/44/38/206174438.db2.gz RMVNRMDIOOUGGS-VQIMIIECSA-N 1 2 375.425 1.433 40 0 GDABLO CCn1c2ccc(NC(=O)C[N@H+]3C[C@@H](OC)[C@@]4(CCCO4)C3)cc2oc1=O ZINC000257298677 206174443 /nfs/dbraw/zinc/17/44/43/206174443.db2.gz RMVNRMDIOOUGGS-VQIMIIECSA-N 1 2 375.425 1.433 40 0 GDABLO CNc1nc([C@H]2CCN(S(=O)(=O)N3CCCCC3)C2)nc2c1C[N@H+](C)CC2 ZINC000257253236 206168307 /nfs/dbraw/zinc/16/83/07/206168307.db2.gz JYBRVGXBFQDTKU-AWEZNQCLSA-N 1 2 394.545 1.026 40 0 GDABLO CNc1nc([C@H]2CCN(S(=O)(=O)N3CCCCC3)C2)nc2c1C[N@@H+](C)CC2 ZINC000257253236 206168311 /nfs/dbraw/zinc/16/83/11/206168311.db2.gz JYBRVGXBFQDTKU-AWEZNQCLSA-N 1 2 394.545 1.026 40 0 GDABLO COc1nc(OC)nc(N2CCC[C@H]2c2ccc(C[NH+]3CCOCC3)cn2)n1 ZINC000257331332 206180463 /nfs/dbraw/zinc/18/04/63/206180463.db2.gz XSKOQBREFZSMDQ-INIZCTEOSA-N 1 2 386.456 1.458 40 0 GDABLO CN(C)c1nc(N2CCOCC2)[nH+]c2c1CCN(C(=O)Cc1ccccc1)CC2 ZINC000096254882 136185894 /nfs/dbraw/zinc/18/58/94/136185894.db2.gz CXHHJGURTCMQEE-UHFFFAOYSA-N 1 2 395.507 1.549 40 0 GDABLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(=O)n(CC(=O)N2CCCCC2)c1)C1CC1 ZINC000019749256 570214756 /nfs/dbraw/zinc/21/47/56/570214756.db2.gz QFODZBAJCZZOBQ-LJQANCHMSA-N 1 2 397.479 1.475 40 0 GDABLO O=C(C[N@H+]1CCOC[C@](O)(COc2ccccc2)C1)NCC1CCCCC1 ZINC000585277533 570244897 /nfs/dbraw/zinc/24/48/97/570244897.db2.gz IGWNGYYTYKSYDU-NRFANRHFSA-N 1 2 376.497 1.825 40 0 GDABLO O=C(C[N@@H+]1CCOC[C@](O)(COc2ccccc2)C1)NCC1CCCCC1 ZINC000585277533 570244903 /nfs/dbraw/zinc/24/49/03/570244903.db2.gz IGWNGYYTYKSYDU-NRFANRHFSA-N 1 2 376.497 1.825 40 0 GDABLO CN(C(=O)/C=C/C[NH+]1CCOCC1)[C@@H]1CCC[C@@H](Oc2cccc(F)c2)[C@@H]1O ZINC000585291657 570260299 /nfs/dbraw/zinc/26/02/99/570260299.db2.gz RFRYTLLABDOVEC-UTCIZMKOSA-N 1 2 392.471 1.833 40 0 GDABLO O=[S@]1c2ccccc2N=C(N2CC[NH+](CCOCCO)CC2)c2ccccc21 ZINC000021992967 570301206 /nfs/dbraw/zinc/30/12/06/570301206.db2.gz FXJNLPUSSHEDON-NDEPHWFRSA-N 1 2 399.516 1.872 40 0 in-vitro GDABLO Cc1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2NC(=O)C(Cl)(Cl)Cl)cc1 ZINC000575420004 570307320 /nfs/dbraw/zinc/30/73/20/570307320.db2.gz CZPLJPSEANCBIJ-VXGBXAGGSA-N 1 2 399.727 1.737 40 0 GDABLO O=C(NCCCn1cc[nH+]c1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000028201763 570527891 /nfs/dbraw/zinc/52/78/91/570527891.db2.gz HGCCVECZKZWVDH-UHFFFAOYSA-N 1 2 376.482 1.490 40 0 GDABLO CC(C)Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cc[nH+]c3)CC2)cc1 ZINC000019447522 570984364 /nfs/dbraw/zinc/98/43/64/570984364.db2.gz QTLQXEZCJLHPRQ-UHFFFAOYSA-N 1 2 390.509 1.615 40 0 GDABLO CCN1C[C@H](C(=O)N2CCN([C@@H](c3[nH+]ccn3C)c3ccccc3)CC2)CC1=O ZINC000019526940 570997924 /nfs/dbraw/zinc/99/79/24/570997924.db2.gz DKUDIEIODRCJGN-UYAOXDASSA-N 1 2 395.507 1.522 40 0 GDABLO Cc1sc2ncnc(NCCC(=O)NC[C@H](C)[NH+]3CCOCC3)c2c1C ZINC000019561658 571006128 /nfs/dbraw/zinc/00/61/28/571006128.db2.gz WWZDHYZAQISPBB-LBPRGKRZSA-N 1 2 377.514 1.947 40 0 GDABLO Cc1nn(C)cc1C(=O)N1CCC[C@H]1c1ccc(C(=O)N2CC[NH+](C)CC2)cn1 ZINC000019708262 571033037 /nfs/dbraw/zinc/03/30/37/571033037.db2.gz QCBPXLPZULRESU-IBGZPJMESA-N 1 2 396.495 1.488 40 0 GDABLO Cc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1C(=O)N1CCCC1 ZINC000408604921 231076762 /nfs/dbraw/zinc/07/67/62/231076762.db2.gz MESUSZKPMFOSNE-UHFFFAOYSA-N 1 2 376.482 1.796 40 0 GDABLO Nc1nc(N)[nH+]c(CCC(Br)(Br)Br)n1 ZINC000001871633 530531939 /nfs/dbraw/zinc/53/19/39/530531939.db2.gz NFTZMPBDLXUMMM-UHFFFAOYSA-N 1 2 389.877 1.807 40 0 GDABLO CN(C)c1nc2c(c(N3CCC(C(N)=O)CC3)n1)C[N@H+](Cc1ccccc1)CC2 ZINC000012325724 204397511 /nfs/dbraw/zinc/39/75/11/204397511.db2.gz YTNYBNSMZWWJNI-UHFFFAOYSA-N 1 2 394.523 1.803 40 0 GDABLO CN(C)c1nc2c(c(N3CCC(C(N)=O)CC3)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC000012325724 204397516 /nfs/dbraw/zinc/39/75/16/204397516.db2.gz YTNYBNSMZWWJNI-UHFFFAOYSA-N 1 2 394.523 1.803 40 0 GDABLO COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000062107157 205186284 /nfs/dbraw/zinc/18/62/84/205186284.db2.gz FVCNSIJBXRHZAG-UHFFFAOYSA-N 1 2 389.477 1.884 40 0 GDABLO CS(=O)(=O)N(CCCC(=O)NCCCn1cc[nH+]c1)c1ccccc1F ZINC000223421056 206000562 /nfs/dbraw/zinc/00/05/62/206000562.db2.gz PREIXVVEBDPSDL-UHFFFAOYSA-N 1 2 382.461 1.775 40 0 GDABLO Cc1ncsc1C[NH+]1CC2(C1)OCC[C@H]2CCNC(=O)c1nccn1C ZINC000248123800 206135247 /nfs/dbraw/zinc/13/52/47/206135247.db2.gz KYOKTEWRHMDHKA-CQSZACIVSA-N 1 2 375.498 1.596 40 0 GDABLO COCCNC(=O)CN1CCO[C@H](c2ccc(Nc3[nH+]cccc3C)cn2)C1 ZINC000257284899 206173939 /nfs/dbraw/zinc/17/39/39/206173939.db2.gz PETVKFQPLMLFIY-SFHVURJKSA-N 1 2 385.468 1.665 40 0 GDABLO CNC(=O)[C@@H]1CN(C(=O)Cc2ccc3nc(N)sc3c2)CC[N@@H+]1C(C)C ZINC000257292792 206175236 /nfs/dbraw/zinc/17/52/36/206175236.db2.gz QMYVALGCXQJVGO-AWEZNQCLSA-N 1 2 375.498 1.088 40 0 GDABLO CNC(=O)[C@@H]1CN(C(=O)Cc2ccc3nc(N)sc3c2)CC[N@H+]1C(C)C ZINC000257292792 206175239 /nfs/dbraw/zinc/17/52/39/206175239.db2.gz QMYVALGCXQJVGO-AWEZNQCLSA-N 1 2 375.498 1.088 40 0 GDABLO Cc1n[nH]cc1C[N@@H+]1CCO[C@](COc2cccc(Cl)c2)(CC(N)=O)C1 ZINC000257318235 206178846 /nfs/dbraw/zinc/17/88/46/206178846.db2.gz VNAXHFNDUFFUNF-GOSISDBHSA-N 1 2 378.860 1.897 40 0 GDABLO Cc1n[nH]cc1C[N@H+]1CCO[C@](COc2cccc(Cl)c2)(CC(N)=O)C1 ZINC000257318235 206178851 /nfs/dbraw/zinc/17/88/51/206178851.db2.gz VNAXHFNDUFFUNF-GOSISDBHSA-N 1 2 378.860 1.897 40 0 GDABLO Cn1ccc(C(=O)N2CCN(C)[C@H](c3cn4c(cccc4N4CCCC4)[nH+]3)C2)n1 ZINC000306132156 206201939 /nfs/dbraw/zinc/20/19/39/206201939.db2.gz LAGVSPXYFMHXEW-SFHVURJKSA-N 1 2 393.495 1.797 40 0 GDABLO COc1ccc(C(=O)Nc2nnc(CC[NH+]3CCOCC3)s2)cc1OC ZINC000095116123 206214498 /nfs/dbraw/zinc/21/44/98/206214498.db2.gz NFYIKGKJDBBFSL-UHFFFAOYSA-N 1 2 378.454 1.682 40 0 GDABLO CCc1[nH+]c2ccccc2n1[C@H](C)C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000019718479 570209979 /nfs/dbraw/zinc/20/99/79/570209979.db2.gz DLKKKYKKGAMCLW-CYBMUJFWSA-N 1 2 383.452 1.703 40 0 GDABLO CNc1nc(NCCN2CCOCC2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329057322 570215658 /nfs/dbraw/zinc/21/56/58/570215658.db2.gz VXQINCUDRJJHRK-UHFFFAOYSA-N 1 2 397.401 1.672 40 0 GDABLO COCC[N@@H+]1C[C@@H]2c3nc(NCc4ccccc4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC000096252082 570225094 /nfs/dbraw/zinc/22/50/94/570225094.db2.gz NERSSBGRDOKOKC-DLBZAZTESA-N 1 2 388.493 1.431 40 0 GDABLO COCC[N@H+]1C[C@@H]2c3nc(NCc4ccccc4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC000096252082 570225095 /nfs/dbraw/zinc/22/50/95/570225095.db2.gz NERSSBGRDOKOKC-DLBZAZTESA-N 1 2 388.493 1.431 40 0 GDABLO O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCOCC1)c1ccccc1 ZINC000585262325 570230153 /nfs/dbraw/zinc/23/01/53/570230153.db2.gz AMLSLTRKUZAGQD-CGXNFDGLSA-N 1 2 382.460 1.698 40 0 GDABLO COCCn1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[NH+]1CCCC1 ZINC000004212364 570622937 /nfs/dbraw/zinc/62/29/37/570622937.db2.gz CMRLYDDATFTVNP-GOSISDBHSA-N 1 2 382.468 1.963 40 0 GDABLO CS(=O)(=O)N1CCC(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000036611198 570883104 /nfs/dbraw/zinc/88/31/04/570883104.db2.gz FIAPHWBWXXYNMG-UHFFFAOYSA-N 1 2 399.944 1.656 40 0 GDABLO O=C(C[N@@H+]1CC[C@]12CCCN(C(=O)c1nnsc1C1CC1)C2)N1CCCC1 ZINC000585101974 570927381 /nfs/dbraw/zinc/92/73/81/570927381.db2.gz NYJUKPVOSXTXDN-IBGZPJMESA-N 1 2 389.525 1.718 40 0 GDABLO O=C(C[N@H+]1CC[C@]12CCCN(C(=O)c1nnsc1C1CC1)C2)N1CCCC1 ZINC000585101974 570927385 /nfs/dbraw/zinc/92/73/85/570927385.db2.gz NYJUKPVOSXTXDN-IBGZPJMESA-N 1 2 389.525 1.718 40 0 GDABLO CC(=O)Nc1cccc(-c2c[nH+]c3n2CCN(C(=O)c2ccnnc2)CC3)c1 ZINC000585111567 570942009 /nfs/dbraw/zinc/94/20/09/570942009.db2.gz WNVLTLXICIMQJO-UHFFFAOYSA-N 1 2 376.420 1.997 40 0 GDABLO C[C@@H](c1ccccc1)N1CCc2oc(C(=O)NC[C@H]3C[N@H+](C)CCO3)nc2C1 ZINC000585111925 570942338 /nfs/dbraw/zinc/94/23/38/570942338.db2.gz JGUXUUJPOMYUHK-RDJZCZTQSA-N 1 2 384.480 1.854 40 0 GDABLO C[C@@H](c1ccccc1)N1CCc2oc(C(=O)NC[C@H]3C[N@@H+](C)CCO3)nc2C1 ZINC000585111925 570942343 /nfs/dbraw/zinc/94/23/43/570942343.db2.gz JGUXUUJPOMYUHK-RDJZCZTQSA-N 1 2 384.480 1.854 40 0 GDABLO Cc1snnc1C(=O)N1CCc2ncc(C[N@H+](C)Cc3ccco3)n2CC1 ZINC000585110596 570944114 /nfs/dbraw/zinc/94/41/14/570944114.db2.gz CPXBULXRVCOZMQ-UHFFFAOYSA-N 1 2 386.481 1.967 40 0 GDABLO Cc1snnc1C(=O)N1CCc2ncc(C[N@@H+](C)Cc3ccco3)n2CC1 ZINC000585110596 570944117 /nfs/dbraw/zinc/94/41/17/570944117.db2.gz CPXBULXRVCOZMQ-UHFFFAOYSA-N 1 2 386.481 1.967 40 0 GDABLO CN1c2ncccc2C(=O)N[C@@H]1c1ccc(NC(=O)C[NH+]2CCC(O)CC2)cc1 ZINC000019590925 571018550 /nfs/dbraw/zinc/01/85/50/571018550.db2.gz MPYMFRFARWSJSV-IBGZPJMESA-N 1 2 395.463 1.355 40 0 GDABLO Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N1CC[NH+](C)CC1 ZINC000113943537 231023327 /nfs/dbraw/zinc/02/33/27/231023327.db2.gz RQCVIPYCARVIJD-UHFFFAOYSA-N 1 2 379.526 1.803 40 0 GDABLO CCS(=O)(=O)CCN1Cc2c[nH+]cn2[C@H](COCc2cccc(C)n2)C1 ZINC000247854447 206132849 /nfs/dbraw/zinc/13/28/49/206132849.db2.gz CCJXDHNMNFWKBX-SFHVURJKSA-N 1 2 378.498 1.595 40 0 GDABLO CNC(=O)[C@H]1CN(C(=O)Cc2c(C)noc2C)CC[N@@H+]1CCc1ccccc1 ZINC000257275121 206172175 /nfs/dbraw/zinc/17/21/75/206172175.db2.gz NNZKTQVBNPWBGY-LJQANCHMSA-N 1 2 384.480 1.335 40 0 GDABLO CNC(=O)[C@H]1CN(C(=O)Cc2c(C)noc2C)CC[N@H+]1CCc1ccccc1 ZINC000257275121 206172180 /nfs/dbraw/zinc/17/21/80/206172180.db2.gz NNZKTQVBNPWBGY-LJQANCHMSA-N 1 2 384.480 1.335 40 0 GDABLO COCCNC(=O)CN1CCO[C@@H](c2ccc(Nc3[nH+]cccc3C)cn2)C1 ZINC000257284898 206173601 /nfs/dbraw/zinc/17/36/01/206173601.db2.gz PETVKFQPLMLFIY-GOSISDBHSA-N 1 2 385.468 1.665 40 0 GDABLO Cc1cc(N2CC[C@](O)(CNC(=O)c3cccc(Cn4cc[nH+]c4)c3)C2)ncn1 ZINC000257317937 206178036 /nfs/dbraw/zinc/17/80/36/206178036.db2.gz VLTZKHUJYLBDEU-NRFANRHFSA-N 1 2 392.463 1.401 40 0 GDABLO CC(=O)N1C[C@H](c2ccccc2)[C@H]2C[N@H+](CC(=O)Nc3nncs3)CC[C@H]21 ZINC000257316244 206178694 /nfs/dbraw/zinc/17/86/94/206178694.db2.gz VETKILIKKTXDAD-BRWVUGGUSA-N 1 2 385.493 1.813 40 0 GDABLO CC(=O)N1C[C@H](c2ccccc2)[C@H]2C[N@@H+](CC(=O)Nc3nncs3)CC[C@H]21 ZINC000257316244 206178696 /nfs/dbraw/zinc/17/86/96/206178696.db2.gz VETKILIKKTXDAD-BRWVUGGUSA-N 1 2 385.493 1.813 40 0 GDABLO CCS(=O)(=O)N1C[C@@H](c2cn(C(C)C)c[nH+]2)[C@@]2(CCN(CC3CC3)C2=O)C1 ZINC000306129636 206199691 /nfs/dbraw/zinc/19/96/91/206199691.db2.gz IIRHJGCLMPNOOK-QFBILLFUSA-N 1 2 394.541 1.842 40 0 GDABLO CC(C)[C@@H](CO)Nc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc[nH+]1 ZINC000329050863 570215349 /nfs/dbraw/zinc/21/53/49/570215349.db2.gz UVIVUIXVNJGONI-MRXNPFEDSA-N 1 2 391.497 1.116 40 0 GDABLO CC(C)[C@@H](CO)Nc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)[nH+]cn1 ZINC000329050863 570215351 /nfs/dbraw/zinc/21/53/51/570215351.db2.gz UVIVUIXVNJGONI-MRXNPFEDSA-N 1 2 391.497 1.116 40 0 GDABLO O=C(NCc1cccnc1)N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC000096230226 570221489 /nfs/dbraw/zinc/22/14/89/570221489.db2.gz ZAZGRXPYFAKKHT-UHFFFAOYSA-N 1 2 393.491 1.758 40 0 GDABLO O=C(NCc1cccnc1)N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC000096230226 570221492 /nfs/dbraw/zinc/22/14/92/570221492.db2.gz ZAZGRXPYFAKKHT-UHFFFAOYSA-N 1 2 393.491 1.758 40 0 GDABLO CN(C)S(=O)(=O)N1CCC(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000020045059 570237315 /nfs/dbraw/zinc/23/73/15/570237315.db2.gz GZASQQGRMVFPKZ-UHFFFAOYSA-N 1 2 391.497 1.007 40 0 GDABLO C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1[nH+]ccn1C ZINC000685939007 570398648 /nfs/dbraw/zinc/39/86/48/570398648.db2.gz WLNXICNZUWKNOB-CYBMUJFWSA-N 1 2 392.485 1.872 40 0 GDABLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccco3)cc2)CC1 ZINC000035982194 570559526 /nfs/dbraw/zinc/55/95/26/570559526.db2.gz GWQVACPJOWLUJJ-RMKNXTFCSA-N 1 2 375.450 1.868 40 0 GDABLO Cc1nc(C2CCN(C(=O)CCn3cc[nH+]c3)CC2)nc(N2CCOCC2)c1C ZINC000019555268 571002978 /nfs/dbraw/zinc/00/29/78/571002978.db2.gz IVLVDPUFLNKNMR-UHFFFAOYSA-N 1 2 398.511 1.923 40 0 GDABLO Cc1ccc(N2C[C@@]3(COCC[N@@H+](Cc4cnn(C)c4)C3)OCC2=O)s1 ZINC000096051459 571097262 /nfs/dbraw/zinc/09/72/62/571097262.db2.gz MMHJFGXINFXREO-SFHVURJKSA-N 1 2 376.482 1.424 40 0 GDABLO Cc1ccc(N2C[C@@]3(COCC[N@H+](Cc4cnn(C)c4)C3)OCC2=O)s1 ZINC000096051459 571097266 /nfs/dbraw/zinc/09/72/66/571097266.db2.gz MMHJFGXINFXREO-SFHVURJKSA-N 1 2 376.482 1.424 40 0 GDABLO COc1ccc(-c2noc([C@H](C)O)c2C(=O)N2CC[NH+](C)CC2)cc1OC ZINC000253407302 203815211 /nfs/dbraw/zinc/81/52/11/203815211.db2.gz VWFJGEZYRSPFQK-LBPRGKRZSA-N 1 2 375.425 1.800 40 0 biogenic,in-vitro GDABLO CCOC(=O)[C@@]1(CCSC)[NH2+][C@@H](c2cccc(C)c2)[C@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000004884219 204087562 /nfs/dbraw/zinc/08/75/62/204087562.db2.gz WTOCGNZAHARIQO-ULMVMLMRSA-N 1 2 390.505 1.925 40 0 GDABLO Cc1ccc2c(c1)CN(S(C)(=O)=O)CC1(CC[NH+](CC(=O)N(C)C)CC1)O2 ZINC000072394465 205343543 /nfs/dbraw/zinc/34/35/43/205343543.db2.gz QYUYAUJCEUTMPO-UHFFFAOYSA-N 1 2 395.525 1.072 40 0 GDABLO O=c1[nH]c2cc(S(=O)(=O)N3CCN(c4[nH]c5ccccc5[nH+]4)CC3)ccc2o1 ZINC000223810550 206005503 /nfs/dbraw/zinc/00/55/03/206005503.db2.gz JACOVBBPFYHYJB-UHFFFAOYSA-N 1 2 399.432 1.508 40 0 GDABLO COCCn1c(=S)[nH]nc1-c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000097785669 206124081 /nfs/dbraw/zinc/12/40/81/206124081.db2.gz NWGSTGMMWRMZLJ-UHFFFAOYSA-N 1 2 397.526 1.190 40 0 GDABLO [NH2+]=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(I)c1 ZINC000138911197 206138965 /nfs/dbraw/zinc/13/89/65/206138965.db2.gz RKQYXKIDLNABTO-VHSXEESVSA-N 1 2 394.259 1.945 40 0 GDABLO COc1cccc(C[N@H+]2Cc3ccnn3C[C@H](CCNS(C)(=O)=O)C2)c1 ZINC000247878429 206133010 /nfs/dbraw/zinc/13/30/10/206133010.db2.gz HYXXJDQJNXVDOH-MRXNPFEDSA-N 1 2 378.498 1.463 40 0 GDABLO COc1cccc(C[N@@H+]2Cc3ccnn3C[C@H](CCNS(C)(=O)=O)C2)c1 ZINC000247878429 206133015 /nfs/dbraw/zinc/13/30/15/206133015.db2.gz HYXXJDQJNXVDOH-MRXNPFEDSA-N 1 2 378.498 1.463 40 0 GDABLO Cn1c(=O)c2ccc([C@H]3C[N@H+](Cc4ccc(F)cc4)CCO3)nc2n(C)c1=O ZINC000257286625 206172713 /nfs/dbraw/zinc/17/27/13/206172713.db2.gz PMHDMISTESGALQ-QGZVFWFLSA-N 1 2 384.411 1.345 40 0 GDABLO Cn1c(=O)c2ccc([C@H]3C[N@@H+](Cc4ccc(F)cc4)CCO3)nc2n(C)c1=O ZINC000257286625 206172718 /nfs/dbraw/zinc/17/27/18/206172718.db2.gz PMHDMISTESGALQ-QGZVFWFLSA-N 1 2 384.411 1.345 40 0 GDABLO CC(=O)N1CC[NH+](C[C@@]2(O)CCCN(C(=O)c3cc(C(C)C)[nH]n3)CC2)CC1 ZINC000257298501 206174259 /nfs/dbraw/zinc/17/42/59/206174259.db2.gz RLZCZDNEDHMSNB-HXUWFJFHSA-N 1 2 391.516 1.054 40 0 GDABLO CCN1C(=O)CC[C@@H](C(=O)NCC[NH+]2CCOCC2)[C@@H]1c1ccccc1F ZINC000257342219 206180994 /nfs/dbraw/zinc/18/09/94/206180994.db2.gz ZNPJDQPTWLLMRY-APWZRJJASA-N 1 2 377.460 1.574 40 0 GDABLO COc1ncccc1C[N@@H+]1C[C@@H]2CN(Cc3csc(C)n3)S(=O)(=O)[C@@H]2C1 ZINC000306138628 206205121 /nfs/dbraw/zinc/20/51/21/206205121.db2.gz SCOSNSAZFZPBOP-GDBMZVCRSA-N 1 2 394.522 1.501 40 0 GDABLO COc1ncccc1C[N@H+]1C[C@@H]2CN(Cc3csc(C)n3)S(=O)(=O)[C@@H]2C1 ZINC000306138628 206205123 /nfs/dbraw/zinc/20/51/23/206205123.db2.gz SCOSNSAZFZPBOP-GDBMZVCRSA-N 1 2 394.522 1.501 40 0 GDABLO O=S(=O)(c1ccc(F)cc1)N1C[C@H]2OC[C@H](CNc3cccc[nH+]3)[C@H]2C1 ZINC000306134342 206202999 /nfs/dbraw/zinc/20/29/99/206202999.db2.gz NJYZDGLCUQKKME-IAOVAPTHSA-N 1 2 377.441 1.968 40 0 GDABLO CN(C)c1nc(N2CCCCC2)[nH+]cc1NC(=O)CNC(=O)c1ccccc1 ZINC000224357476 136206879 /nfs/dbraw/zinc/20/68/79/136206879.db2.gz LBYLIPDWTAQOKL-UHFFFAOYSA-N 1 2 382.468 1.901 40 0 GDABLO CCOC(=O)Cc1cc(O)c2n(cn[n+]2Cc2ccc(Cl)cc2Cl)n1 ZINC000408722395 528908529 /nfs/dbraw/zinc/90/85/29/528908529.db2.gz SYVJOSYKSHGSOM-UHFFFAOYSA-O 1 2 382.227 1.771 40 0 GDABLO COCC(=O)N[C@H]1[C@H](c2cccs2)[N@H+](Cc2cnn(C)c2)CC[C@@]1(C)O ZINC000514289912 560031330 /nfs/dbraw/zinc/03/13/30/560031330.db2.gz MRSABUXZOXNQNK-OKZBNKHCSA-N 1 2 378.498 1.311 40 0 biogenic,in-vitro GDABLO COCC(=O)N[C@H]1[C@H](c2cccs2)[N@@H+](Cc2cnn(C)c2)CC[C@@]1(C)O ZINC000514289912 560031331 /nfs/dbraw/zinc/03/13/31/560031331.db2.gz MRSABUXZOXNQNK-OKZBNKHCSA-N 1 2 378.498 1.311 40 0 biogenic,in-vitro GDABLO O=C(c1ccccc1)N1CC2(C1)CN(C(=O)c1ccccc1)C[C@H]1C[C@@H](O)C[N@H+]12 ZINC000514289927 560031545 /nfs/dbraw/zinc/03/15/45/560031545.db2.gz PZPJRPJAVMBJSE-WOJBJXKFSA-N 1 2 391.471 1.472 40 0 biogenic,in-vitro GDABLO O=C(c1ccccc1)N1CC2(C1)CN(C(=O)c1ccccc1)C[C@H]1C[C@@H](O)C[N@@H+]12 ZINC000514289927 560031547 /nfs/dbraw/zinc/03/15/47/560031547.db2.gz PZPJRPJAVMBJSE-WOJBJXKFSA-N 1 2 391.471 1.472 40 0 biogenic,in-vitro GDABLO Cc1cc(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)nc(N2CCCCC2)n1 ZINC000019718863 570210297 /nfs/dbraw/zinc/21/02/97/570210297.db2.gz DHCPJGUVCSWRNU-GOSISDBHSA-N 1 2 375.517 1.862 40 0 GDABLO Cn1cc(C[N@@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)Nc2ccccc2)cn1 ZINC000096251065 570224607 /nfs/dbraw/zinc/22/46/07/570224607.db2.gz MJTAIGRXGRSOPH-KZNAEPCWSA-N 1 2 388.493 1.294 40 0 GDABLO Cn1cc(C[N@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)Nc2ccccc2)cn1 ZINC000096251065 570224611 /nfs/dbraw/zinc/22/46/11/570224611.db2.gz MJTAIGRXGRSOPH-KZNAEPCWSA-N 1 2 388.493 1.294 40 0 GDABLO COc1ccc([C@H](CN2C(=S)N[C@@H]3CS(=O)(=O)C[C@@H]32)[NH+]2CCCC2)cc1 ZINC000575420172 570307706 /nfs/dbraw/zinc/30/77/06/570307706.db2.gz ABLBYIBMYQNWFH-IKGGRYGDSA-N 1 2 395.550 1.188 40 0 GDABLO CC(C)c1ccc(N(CC(=O)NCCCn2cc[nH+]c2)S(C)(=O)=O)cc1 ZINC000408626366 570378774 /nfs/dbraw/zinc/37/87/74/570378774.db2.gz WUAQRFSMDRERFM-UHFFFAOYSA-N 1 2 378.498 1.979 40 0 GDABLO COCCn1c(C)cc(O)c([C@@H](c2ccc(OC)cc2)[NH+]2CCOCC2)c1=O ZINC000016739842 570403540 /nfs/dbraw/zinc/40/35/40/570403540.db2.gz QRKKXCNJTJQCEJ-HXUWFJFHSA-N 1 2 388.464 1.939 40 0 GDABLO CNC(=O)[C@@H]1COC2(CN(C(=O)c3cc4ccccc4[nH]3)C2)C[N@@H+]1CC1CC1 ZINC000575403559 570520201 /nfs/dbraw/zinc/52/02/01/570520201.db2.gz GVGDSGBVWFACDZ-SFHVURJKSA-N 1 2 382.464 1.219 40 0 GDABLO CNC(=O)[C@@H]1COC2(CN(C(=O)c3cc4ccccc4[nH]3)C2)C[N@H+]1CC1CC1 ZINC000575403559 570520205 /nfs/dbraw/zinc/52/02/05/570520205.db2.gz GVGDSGBVWFACDZ-SFHVURJKSA-N 1 2 382.464 1.219 40 0 GDABLO CCc1cc(=O)[nH]c(NC2CC[NH+](CC(=O)Nc3cccc(OC)c3)CC2)n1 ZINC000012113698 570609595 /nfs/dbraw/zinc/60/95/95/570609595.db2.gz ZDGZSMYCQJAUTI-UHFFFAOYSA-N 1 2 385.468 1.856 40 0 GDABLO C[C@@H]1CCCN(c2cc(Cl)nc(NC(=S)NCC[NH+]3CCOCC3)n2)C1 ZINC000225905898 570632047 /nfs/dbraw/zinc/63/20/47/570632047.db2.gz PADMIUXLNMUQPC-CYBMUJFWSA-N 1 2 398.964 1.985 40 0 GDABLO CCC[C@H](c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CC[NH+](C)CC1 ZINC000019501914 570927326 /nfs/dbraw/zinc/92/73/26/570927326.db2.gz NHDXVOTWGSSJRV-QGZVFWFLSA-N 1 2 392.529 1.502 40 0 GDABLO COc1ccccc1-c1nnc2n1[C@H]1CN(C(=O)Cn3cc[nH+]c3)C[C@H]1CC2 ZINC000019571902 571010313 /nfs/dbraw/zinc/01/03/13/571010313.db2.gz MMXJGPMYGWQNSL-ZBFHGGJFSA-N 1 2 378.436 1.796 40 0 GDABLO Cc1ccc(F)c(S(=O)(=O)N2CCc3nnc([C@H]4CCC[N@H+]4C)n3CC2)c1 ZINC000019706462 571032510 /nfs/dbraw/zinc/03/25/10/571032510.db2.gz JGQAYDZCXHVASZ-OAHLLOKOSA-N 1 2 393.488 1.739 40 0 GDABLO Cc1ccc(F)c(S(=O)(=O)N2CCc3nnc([C@H]4CCC[N@@H+]4C)n3CC2)c1 ZINC000019706462 571032511 /nfs/dbraw/zinc/03/25/11/571032511.db2.gz JGQAYDZCXHVASZ-OAHLLOKOSA-N 1 2 393.488 1.739 40 0 GDABLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc(N2CCOCC2)nc2ccccc21 ZINC000019718090 571041184 /nfs/dbraw/zinc/04/11/84/571041184.db2.gz INRIIAKVRVWXCH-INIZCTEOSA-N 1 2 384.480 1.522 40 0 GDABLO COc1ccc(OC(C)(C)C(=O)N2CCC(c3nnc4n3CC[NH2+]C4)CC2)cc1 ZINC000072372077 205335850 /nfs/dbraw/zinc/33/58/50/205335850.db2.gz VDDJFGHHYFJNNR-UHFFFAOYSA-N 1 2 399.495 1.954 40 0 GDABLO COc1ccccc1N(CCCC(=O)NCCCn1cc[nH+]c1)S(C)(=O)=O ZINC000225259602 206041522 /nfs/dbraw/zinc/04/15/22/206041522.db2.gz FJCZWSLRIRVXCG-UHFFFAOYSA-N 1 2 394.497 1.644 40 0 GDABLO CCC(=O)Nc1nnc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000225661826 206064752 /nfs/dbraw/zinc/06/47/52/206064752.db2.gz HKFASTZIMZYTRT-UHFFFAOYSA-N 1 2 392.466 1.551 40 0 GDABLO CC[N@H+](Cc1ccc(OCC(=O)[O-])cc1)C[C@]1(C)Cc2c(nc(N)[nH+]c2N)O1 ZINC000257304214 206176338 /nfs/dbraw/zinc/17/63/38/206176338.db2.gz SKODASLCTWYFKV-IBGZPJMESA-N 1 2 387.440 1.320 40 0 GDABLO CC[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)C[C@]1(C)Cc2c(nc(N)[nH+]c2N)O1 ZINC000257304214 206176342 /nfs/dbraw/zinc/17/63/42/206176342.db2.gz SKODASLCTWYFKV-IBGZPJMESA-N 1 2 387.440 1.320 40 0 GDABLO Cn1ncc(Br)c1C[N@@H+]1CC(F)(F)C[C@@]2(CCCNC2=O)C1 ZINC000306127873 206199637 /nfs/dbraw/zinc/19/96/37/206199637.db2.gz GJRAVEUTOPIFLM-ZDUSSCGKSA-N 1 2 377.233 1.920 40 0 GDABLO Cn1ncc(Br)c1C[N@H+]1CC(F)(F)C[C@@]2(CCCNC2=O)C1 ZINC000306127873 206199641 /nfs/dbraw/zinc/19/96/41/206199641.db2.gz GJRAVEUTOPIFLM-ZDUSSCGKSA-N 1 2 377.233 1.920 40 0 GDABLO Cc1ccc(S(=O)(=O)NCCC[NH+]2CCOCC2)cc1C(=O)NC(C)C ZINC000408611509 534208900 /nfs/dbraw/zinc/20/89/00/534208900.db2.gz XFIUBXJCZWXRPS-UHFFFAOYSA-N 1 2 383.514 1.134 40 0 GDABLO CCCCNC(=O)N1CCc2[nH+]c(N3CCOCC3)nc(N(C)C)c2CC1 ZINC000096254939 535288945 /nfs/dbraw/zinc/28/89/45/535288945.db2.gz QGVPBLCNTDPQSH-UHFFFAOYSA-N 1 2 376.505 1.290 40 0 GDABLO O=C(c1cccnc1)N1C[C@H]2C[C@@H](O)C[N@H+]2C2(CN(CCc3ccccc3)C2)C1 ZINC000514288912 560033976 /nfs/dbraw/zinc/03/39/76/560033976.db2.gz GZBYVQVQZGSMED-NHCUHLMSSA-N 1 2 392.503 1.270 40 0 biogenic,in-vitro GDABLO O=C(c1cccnc1)N1C[C@H]2C[C@@H](O)C[N@@H+]2C2(CN(CCc3ccccc3)C2)C1 ZINC000514288912 560033977 /nfs/dbraw/zinc/03/39/77/560033977.db2.gz GZBYVQVQZGSMED-NHCUHLMSSA-N 1 2 392.503 1.270 40 0 biogenic,in-vitro GDABLO CC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3[nH+]c(N4CCCC4)nc(N)c32)cc1 ZINC000019974091 570234182 /nfs/dbraw/zinc/23/41/82/570234182.db2.gz KDXPTOQVEWBITA-CQSZACIVSA-N 1 2 394.435 1.926 40 0 GDABLO Cc1cc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1-n1cnnn1 ZINC000020097901 570239295 /nfs/dbraw/zinc/23/92/95/570239295.db2.gz JEMDTTOQLZXEEU-UHFFFAOYSA-N 1 2 398.492 1.477 40 0 GDABLO CC(C)C(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000222914727 570431322 /nfs/dbraw/zinc/43/13/22/570431322.db2.gz NHJZVAYLPKVYQZ-INIZCTEOSA-N 1 2 379.476 1.647 40 0 GDABLO Cc1cc(N2CCCC[C@H]2C)nc(NC(=S)NCC[NH+]2CCOCC2)n1 ZINC000260712537 570700622 /nfs/dbraw/zinc/70/06/22/570700622.db2.gz IRZRYLLJGQZHJI-OAHLLOKOSA-N 1 2 378.546 1.782 40 0 GDABLO CCOC(=O)Cc1csc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000042737617 570741833 /nfs/dbraw/zinc/74/18/33/570741833.db2.gz MPZSPMKUMBCPLW-UHFFFAOYSA-N 1 2 375.454 1.998 40 0 GDABLO CNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000019823417 570930044 /nfs/dbraw/zinc/93/00/44/570930044.db2.gz GRVZSJDBNACUJG-UHFFFAOYSA-N 1 2 388.537 1.783 40 0 GDABLO COc1ccc([C@@H](CNC(=O)NC[C@H]2CCS(=O)(=O)C2)[NH+]2CCCC2)cc1 ZINC000045654632 570962140 /nfs/dbraw/zinc/96/21/40/570962140.db2.gz JJVYKGXONHXQKY-CRAIPNDOSA-N 1 2 395.525 1.566 40 0 GDABLO CC1(C)C(=O)N[C@H]2CCCC[C@@H]2N1C(=O)CN1CC[NH+](Cc2ccccn2)CC1 ZINC000019460312 570988530 /nfs/dbraw/zinc/98/85/30/570988530.db2.gz MCGSTNVABFBQSO-OALUTQOASA-N 1 2 399.539 1.247 40 0 GDABLO CN1CC[NH+](CCNc2cc(-c3ccccn3)nc(NC3CCCCC3)n2)CC1 ZINC000329061789 206243954 /nfs/dbraw/zinc/24/39/54/206243954.db2.gz WUCKMRYKZDLKFU-UHFFFAOYSA-N 1 2 395.555 1.786 40 0 GDABLO C=Cn1cc(C[N@H+]2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(C(C)=O)C3)c(C)n1 ZINC000019584219 207140405 /nfs/dbraw/zinc/14/04/05/207140405.db2.gz QWGPIZXTQIGTFD-GOSISDBHSA-N 1 2 382.468 1.617 40 0 GDABLO C=Cn1cc(C[N@@H+]2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(C(C)=O)C3)c(C)n1 ZINC000019584219 207140409 /nfs/dbraw/zinc/14/04/09/207140409.db2.gz QWGPIZXTQIGTFD-GOSISDBHSA-N 1 2 382.468 1.617 40 0 GDABLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cc(N2CCOCC2)nc2ccccc21 ZINC000019718091 207155264 /nfs/dbraw/zinc/15/52/64/207155264.db2.gz INRIIAKVRVWXCH-MRXNPFEDSA-N 1 2 384.480 1.522 40 0 GDABLO Cc1ccccc1CNC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000032498808 207397115 /nfs/dbraw/zinc/39/71/15/207397115.db2.gz SFPVQICNCFEQBF-UHFFFAOYSA-N 1 2 387.505 1.861 40 0 GDABLO Cc1ccc(C[N@H+]2CCCn3c(=O)cc(CNC(=O)c4cnn(C)c4)nc3C2)o1 ZINC000096059658 208259959 /nfs/dbraw/zinc/25/99/59/208259959.db2.gz RUWKRXIOEMSLAX-UHFFFAOYSA-N 1 2 396.451 1.214 40 0 GDABLO Cc1ccc(C[N@@H+]2CCCn3c(=O)cc(CNC(=O)c4cnn(C)c4)nc3C2)o1 ZINC000096059658 208259966 /nfs/dbraw/zinc/25/99/66/208259966.db2.gz RUWKRXIOEMSLAX-UHFFFAOYSA-N 1 2 396.451 1.214 40 0 GDABLO O=C(COC1CCCC1)N1CCOC[C@]2(CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000306131545 209102018 /nfs/dbraw/zinc/10/20/18/209102018.db2.gz KIGNJHDNFDZWCE-QUCCMNQESA-N 1 2 382.501 1.054 40 0 GDABLO Cc1cc(N2CCC[C@](O)(CN(C)C(=O)c3ccc4[nH]cnc4c3)C2)nc[nH+]1 ZINC000257211344 209056098 /nfs/dbraw/zinc/05/60/98/209056098.db2.gz BYNQIXDPNNYYIH-FQEVSTJZSA-N 1 2 380.452 1.765 40 0 GDABLO NC(=O)C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1Oc1cccc(Cl)c1 ZINC000257338600 209078879 /nfs/dbraw/zinc/07/88/79/209078879.db2.gz YYDIJZLOBBHMBO-BBRMVZONSA-N 1 2 376.844 1.708 40 0 GDABLO CC(=O)N1CC[NH+]([C@@H]2CCCC[C@@H](NC(=O)c3cccc(F)c3O)[C@H]2O)CC1 ZINC000257342813 209079473 /nfs/dbraw/zinc/07/94/73/209079473.db2.gz ZQGFOPCOFJXKSG-ZHALLVOQSA-N 1 2 393.459 1.097 40 0 GDABLO Cc1nn2c(nnc3c2ccn(N2CC[NH+](C)CC2)c3=O)c1-c1ccccc1 ZINC000040390963 570599819 /nfs/dbraw/zinc/59/98/19/570599819.db2.gz DSEYBNZTGUWHIO-UHFFFAOYSA-N 1 2 375.436 1.298 40 0 GDABLO O=c1c2c(ccn1CC[NH+]1CCOCC1)nc1ncnn1c2-c1ccc(F)cc1 ZINC000040398310 570601928 /nfs/dbraw/zinc/60/19/28/570601928.db2.gz AQDSFAMJZCZXJM-UHFFFAOYSA-N 1 2 394.410 1.578 40 0 GDABLO Cc1cc(C)c(NC(=O)C[NH+]2CCOCCOCCOCCOCC2)c(C)c1 ZINC000005004167 570652616 /nfs/dbraw/zinc/65/26/16/570652616.db2.gz QQGKNTLXBUFYPQ-UHFFFAOYSA-N 1 2 394.512 1.932 40 0 GDABLO COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1CC[NH+](C)CC1 ZINC000006401219 570742828 /nfs/dbraw/zinc/74/28/28/570742828.db2.gz VJERNTWAHNNMQD-UHFFFAOYSA-N 1 2 395.525 1.648 40 0 GDABLO C[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000012481561 570807238 /nfs/dbraw/zinc/80/72/38/570807238.db2.gz NSTJLCQVEVEDON-MAUKXSAKSA-N 1 2 379.526 1.931 40 0 GDABLO O=C(C[NH2+][C@H]1C=CS(=O)(=O)C1)N1CCC[C@H](c2cc3ccccc3cn2)C1 ZINC000072341205 570880986 /nfs/dbraw/zinc/88/09/86/570880986.db2.gz IIEMQXAGQMSFRJ-ROUUACIJSA-N 1 2 385.489 1.841 40 0 GDABLO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCCn2cc[nH+]c2)cc1C ZINC000408592850 231071175 /nfs/dbraw/zinc/07/11/75/231071175.db2.gz MDHUZCLKESSROT-AWEZNQCLSA-N 1 2 380.470 1.073 40 0 GDABLO COC(=O)c1cc(S(=O)(=O)NCCC[NH+]2CCOCC2)ccc1Cl ZINC000225805574 531031969 /nfs/dbraw/zinc/03/19/69/531031969.db2.gz YXAZXKCYGOAZPL-UHFFFAOYSA-N 1 2 376.862 1.127 40 0 GDABLO CCN(CC(=O)NCCCn1cc[nH+]c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000016678167 207075213 /nfs/dbraw/zinc/07/52/13/207075213.db2.gz LZARFCXBMNCSFY-UHFFFAOYSA-N 1 2 384.889 1.754 40 0 GDABLO CCN1C[C@@H](C(=O)N2CCN([C@H](c3[nH+]ccn3C)c3ccccc3)CC2)CC1=O ZINC000019526937 207128527 /nfs/dbraw/zinc/12/85/27/207128527.db2.gz DKUDIEIODRCJGN-ICSRJNTNSA-N 1 2 395.507 1.522 40 0 GDABLO Cn1cc[nH+]c1[C@@H](NC(=O)C1CN(S(=O)(=O)c2ccc(F)cc2)C1)C1CC1 ZINC000019747488 207157243 /nfs/dbraw/zinc/15/72/43/207157243.db2.gz MOEYYBBDSCJQJH-INIZCTEOSA-N 1 2 392.456 1.447 40 0 GDABLO COc1cccc([C@H]2NC3=[NH+]CN(CCCO)CN3c3nc4ccccc4n32)c1 ZINC000019960438 207173622 /nfs/dbraw/zinc/17/36/22/207173622.db2.gz HKTPUSFGLHGERA-IBGZPJMESA-N 1 2 392.463 1.970 40 0 GDABLO c1ccc2c(c1)nc1n2C2(CCCC2)NC2=NCN(CC[NH+]3CCOCC3)CN12 ZINC000020676379 207210433 /nfs/dbraw/zinc/21/04/33/207210433.db2.gz ANVJHBCADJSKRJ-UHFFFAOYSA-N 1 2 395.511 1.592 40 0 GDABLO O=S1(=O)CC[C@@H](Nc2nc(Nc3ccccc3)nc(N3CCOCC3)[nH+]2)C1 ZINC000032603940 207399383 /nfs/dbraw/zinc/39/93/83/207399383.db2.gz HYOGGVYNZJBLEW-CQSZACIVSA-N 1 2 390.469 1.051 40 0 GDABLO CCc1ccc(S(=O)(=O)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)cc1 ZINC000096084715 208260690 /nfs/dbraw/zinc/26/06/90/208260690.db2.gz NDMHCMRPLDDHTD-UHFFFAOYSA-N 1 2 386.481 1.680 40 0 GDABLO COc1ccc(OC)c([C@@H]2[NH+]=C(N3CCOCC3)Nc3nc(C)cc(=O)n32)c1 ZINC000104279813 208429378 /nfs/dbraw/zinc/42/93/78/208429378.db2.gz IHQOWDSJEAIMAY-QGZVFWFLSA-N 1 2 385.424 1.230 40 0 GDABLO Cc1nc(CN2C[C@@H]3ON=C(N4CC[NH+](Cc5ccccn5)CC4)[C@@H]3C2)cs1 ZINC000306135575 209104330 /nfs/dbraw/zinc/10/43/30/209104330.db2.gz OVBUVBAXFWXYCG-MOPGFXCFSA-N 1 2 398.536 1.808 40 0 GDABLO C[N@@H+]1CC[C@H](COc2ncccc2F)CC12CN(S(=O)(=O)C(F)(F)F)C2 ZINC000306137744 209104176 /nfs/dbraw/zinc/10/41/76/209104176.db2.gz RESVLHLHMCUPPK-NSHDSACASA-N 1 2 397.394 1.845 40 0 GDABLO C[N@H+]1CC[C@H](COc2ncccc2F)CC12CN(S(=O)(=O)C(F)(F)F)C2 ZINC000306137744 209104178 /nfs/dbraw/zinc/10/41/78/209104178.db2.gz RESVLHLHMCUPPK-NSHDSACASA-N 1 2 397.394 1.845 40 0 GDABLO CC(C)C(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000222914789 208887537 /nfs/dbraw/zinc/88/75/37/208887537.db2.gz NHJZVAYLPKVYQZ-MRXNPFEDSA-N 1 2 379.476 1.647 40 0 GDABLO CC(=O)N[C@@H]1CCCC[C@]12C[N@H+](Cc1cccc(NS(C)(=O)=O)c1)CCO2 ZINC000306130733 209099662 /nfs/dbraw/zinc/09/96/62/209099662.db2.gz JOEMNLVZBYONLL-MOPGFXCFSA-N 1 2 395.525 1.708 40 0 GDABLO CC(=O)N[C@@H]1CCCC[C@]12C[N@@H+](Cc1cccc(NS(C)(=O)=O)c1)CCO2 ZINC000306130733 209099666 /nfs/dbraw/zinc/09/96/66/209099666.db2.gz JOEMNLVZBYONLL-MOPGFXCFSA-N 1 2 395.525 1.708 40 0 GDABLO CN(C)c1cc(N2CC3(C2)C[C@@H](OCC(=O)N2CCCC2)CS3)nc[nH+]1 ZINC000248146770 209029740 /nfs/dbraw/zinc/02/97/40/209029740.db2.gz VYYZHKYAUWLDGY-CQSZACIVSA-N 1 2 377.514 1.246 40 0 GDABLO CN(C)c1cc(N2CC3(C2)C[C@@H](OCC(=O)N2CCCC2)CS3)[nH+]cn1 ZINC000248146770 209029742 /nfs/dbraw/zinc/02/97/42/209029742.db2.gz VYYZHKYAUWLDGY-CQSZACIVSA-N 1 2 377.514 1.246 40 0 GDABLO CNc1nc([C@H]2CCN(S(=O)(=O)c3ccccc3)C2)nc2c1C[N@H+](C)CC2 ZINC000257220259 209057374 /nfs/dbraw/zinc/05/73/74/209057374.db2.gz DKFBZQQEGXQCNF-AWEZNQCLSA-N 1 2 387.509 1.684 40 0 GDABLO CNc1nc([C@H]2CCN(S(=O)(=O)c3ccccc3)C2)nc2c1C[N@@H+](C)CC2 ZINC000257220259 209057377 /nfs/dbraw/zinc/05/73/77/209057377.db2.gz DKFBZQQEGXQCNF-AWEZNQCLSA-N 1 2 387.509 1.684 40 0 GDABLO Cc1cncc(C(=O)N[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2[NH+]2CCOCC2)c1 ZINC000257268603 209064122 /nfs/dbraw/zinc/06/41/22/209064122.db2.gz MMJWKJXTCCMOTG-CGXNFDGLSA-N 1 2 397.475 1.401 40 0 GDABLO COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)NCCCn1cc[nH+]c1 ZINC000408587674 533405939 /nfs/dbraw/zinc/40/59/39/533405939.db2.gz BVUCABRUKRBYRU-CQSZACIVSA-N 1 2 380.470 1.073 40 0 GDABLO O=C(C[NH2+][C@H]1C=CS(=O)(=O)C1)N[C@@H](Cc1ccsc1)c1ccccn1 ZINC000072341795 222230980 /nfs/dbraw/zinc/23/09/80/222230980.db2.gz RBFWTOIBFUWOHX-HOCLYGCPSA-N 1 2 377.491 1.443 40 0 GDABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCc2c(=O)[nH]c(N3CCCC3)nc2C1 ZINC000072346943 222233346 /nfs/dbraw/zinc/23/33/46/222233346.db2.gz NHIDVGSEIDLPET-UHFFFAOYSA-N 1 2 392.463 1.613 40 0 GDABLO CCN(CC)C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)c3cccs3)C[N@@H+]21 ZINC000012530581 560213054 /nfs/dbraw/zinc/21/30/54/560213054.db2.gz MSZHFCCHGONPLJ-ZNMIVQPWSA-N 1 2 392.525 1.068 40 0 biogenic,in-vitro GDABLO CCN(CC)C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)c3cccs3)C[N@H+]21 ZINC000012530581 560213056 /nfs/dbraw/zinc/21/30/56/560213056.db2.gz MSZHFCCHGONPLJ-ZNMIVQPWSA-N 1 2 392.525 1.068 40 0 biogenic,in-vitro GDABLO COc1ccc([C@@H](CNC(=O)N[C@]2(C)CCS(=O)(=O)C2)[NH+]2CCCC2)cc1 ZINC000575421072 570307018 /nfs/dbraw/zinc/30/70/18/570307018.db2.gz HNFJFOZSDLRNIY-IEBWSBKVSA-N 1 2 395.525 1.709 40 0 GDABLO CC(C)n1c[nH+]c2c1[C@@H](C(=O)N1CCC[C@@H](O)C1)N(Cc1cccnc1)CC2 ZINC000107186487 570308565 /nfs/dbraw/zinc/30/85/65/570308565.db2.gz UJXGUNMNUZJEEQ-XLIONFOSSA-N 1 2 383.496 1.942 40 0 GDABLO COC(=O)c1ccc(NC(=O)C[NH+]2CCC(NC(=O)c3ccco3)CC2)cc1 ZINC000004908957 570416952 /nfs/dbraw/zinc/41/69/52/570416952.db2.gz KCVAEKVGEVIJIS-UHFFFAOYSA-N 1 2 385.420 1.899 40 0 GDABLO COc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1C(=O)N1CCCC1 ZINC000008018661 570520884 /nfs/dbraw/zinc/52/08/84/570520884.db2.gz ZPSJZGYZICFHTQ-UHFFFAOYSA-N 1 2 392.481 1.496 40 0 GDABLO Cn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NCCCN2CCCC2=O)C1 ZINC000012143614 570615373 /nfs/dbraw/zinc/61/53/73/570615373.db2.gz CYRLYFDAFHRXAX-INIZCTEOSA-N 1 2 383.496 1.918 40 0 GDABLO C[C@H]1CCCN(c2cc(Cl)nc(NC(=S)NCC[NH+]3CCOCC3)n2)C1 ZINC000225905916 570632136 /nfs/dbraw/zinc/63/21/36/570632136.db2.gz PADMIUXLNMUQPC-ZDUSSCGKSA-N 1 2 398.964 1.985 40 0 GDABLO Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3[nH+]c(N4CCOCC4)nc(N)c32)cc1 ZINC000013637542 570765254 /nfs/dbraw/zinc/76/52/54/570765254.db2.gz GXENOTWZCFLYSO-ZDUSSCGKSA-N 1 2 382.424 1.268 40 0 GDABLO CCN1C[C@@H](C(=O)N2CCN([C@@H](c3[nH+]ccn3C)c3ccccc3)CC2)CC1=O ZINC000019526939 207129424 /nfs/dbraw/zinc/12/94/24/207129424.db2.gz DKUDIEIODRCJGN-AZUAARDMSA-N 1 2 395.507 1.522 40 0 GDABLO CC(C)[C@H]([NH2+]Cc1nc2ccccc2n1C)c1cc(=O)[nH]c(N2CCOCC2)n1 ZINC000019445553 207121474 /nfs/dbraw/zinc/12/14/74/207121474.db2.gz OBWYDKPMYXXTSE-FQEVSTJZSA-N 1 2 396.495 1.980 40 0 GDABLO Cc1ccc(F)c(S(=O)(=O)N2CCc3nnc([C@@H]4CCC[N@H+]4C)n3CC2)c1 ZINC000019706464 207150766 /nfs/dbraw/zinc/15/07/66/207150766.db2.gz JGQAYDZCXHVASZ-HNNXBMFYSA-N 1 2 393.488 1.739 40 0 GDABLO Cc1ccc(F)c(S(=O)(=O)N2CCc3nnc([C@@H]4CCC[N@@H+]4C)n3CC2)c1 ZINC000019706464 207150769 /nfs/dbraw/zinc/15/07/69/207150769.db2.gz JGQAYDZCXHVASZ-HNNXBMFYSA-N 1 2 393.488 1.739 40 0 GDABLO C[C@H]1C[NH+](CC(=O)N2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C[C@H](C)O1 ZINC000072373075 208006630 /nfs/dbraw/zinc/00/66/30/208006630.db2.gz PKHAOTGNSOBFIY-ULQDDVLXSA-N 1 2 388.512 1.395 40 0 GDABLO CC(C)n1c[nH+]c2c1[C@@H](C(=O)N1CCC[C@H](O)C1)N(Cc1cccnc1)CC2 ZINC000096147257 208274135 /nfs/dbraw/zinc/27/41/35/208274135.db2.gz UJXGUNMNUZJEEQ-PXNSSMCTSA-N 1 2 383.496 1.942 40 0 GDABLO CN(C)c1[nH+]c2c(cc1C(=O)NCC1CC1)CCN(c1ncc(F)cn1)CC2 ZINC000096086797 208260859 /nfs/dbraw/zinc/26/08/59/208260859.db2.gz BJYLWPOIACZPAZ-UHFFFAOYSA-N 1 2 384.459 1.822 40 0 GDABLO COCCN1CC[C@]2(CN(C(=O)Cc3ccco3)C[C@@H]2c2cn(C)c[nH+]2)C1=O ZINC000306133119 209101841 /nfs/dbraw/zinc/10/18/41/209101841.db2.gz MCQIEQGNNKQNPO-OXQOHEQNSA-N 1 2 386.452 1.047 40 0 GDABLO Cn1c[nH+]c([C@H]2CN(C(=O)c3ccn(C)n3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306127778 209097166 /nfs/dbraw/zinc/09/71/66/209097166.db2.gz GHLKCRSXQJERJI-QRWLVFNGSA-N 1 2 382.468 1.022 40 0 GDABLO Cc1ncsc1C[NH+]1CC2(C1)OCC[C@@H]2CCNC(=O)c1ccnn1C ZINC000248015126 209028415 /nfs/dbraw/zinc/02/84/15/209028415.db2.gz GADQXLPBOSOOET-AWEZNQCLSA-N 1 2 375.498 1.596 40 0 GDABLO CNC(=O)[C@@H]1CN(C(=O)CCc2c(C)n[nH]c2C)CC[N@@H+]1CCc1ccccc1 ZINC000257299442 209070697 /nfs/dbraw/zinc/07/06/97/209070697.db2.gz RQCKSHUHSRCZIZ-FQEVSTJZSA-N 1 2 397.523 1.461 40 0 GDABLO CNC(=O)[C@@H]1CN(C(=O)CCc2c(C)n[nH]c2C)CC[N@H+]1CCc1ccccc1 ZINC000257299442 209070699 /nfs/dbraw/zinc/07/06/99/209070699.db2.gz RQCKSHUHSRCZIZ-FQEVSTJZSA-N 1 2 397.523 1.461 40 0 GDABLO CNC(=O)[C@@H]1CN(C(=O)Cn2nc(C)cc2C)CC[N@@H+]1CCc1ccccc1 ZINC000257299199 209070901 /nfs/dbraw/zinc/07/09/01/209070901.db2.gz RPCJZLJGFNNDEX-IBGZPJMESA-N 1 2 383.496 1.001 40 0 GDABLO CNC(=O)[C@@H]1CN(C(=O)Cn2nc(C)cc2C)CC[N@H+]1CCc1ccccc1 ZINC000257299199 209070904 /nfs/dbraw/zinc/07/09/04/209070904.db2.gz RPCJZLJGFNNDEX-IBGZPJMESA-N 1 2 383.496 1.001 40 0 GDABLO CC(=O)OCc1ccc(C[N@@H+]2CCc3c(nc(N4CCCCC4)[nH]c3=O)C2)o1 ZINC000072335538 136168460 /nfs/dbraw/zinc/16/84/60/136168460.db2.gz FRBIZARVUULNLM-UHFFFAOYSA-N 1 2 386.452 1.975 40 0 GDABLO CC(=O)OCc1ccc(C[N@H+]2CCc3c(nc(N4CCCCC4)[nH]c3=O)C2)o1 ZINC000072335538 136168461 /nfs/dbraw/zinc/16/84/61/136168461.db2.gz FRBIZARVUULNLM-UHFFFAOYSA-N 1 2 386.452 1.975 40 0 GDABLO CNC(=O)[C@@H]1CN(C(=O)CCn2ccc(C)n2)CC[N@@H+]1CCc1ccccc1 ZINC000257329171 209076754 /nfs/dbraw/zinc/07/67/54/209076754.db2.gz XIUQKDQYDSXIGZ-IBGZPJMESA-N 1 2 383.496 1.083 40 0 GDABLO CNC(=O)[C@@H]1CN(C(=O)CCn2ccc(C)n2)CC[N@H+]1CCc1ccccc1 ZINC000257329171 209076756 /nfs/dbraw/zinc/07/67/56/209076756.db2.gz XIUQKDQYDSXIGZ-IBGZPJMESA-N 1 2 383.496 1.083 40 0 GDABLO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H]1c1nc(C)ncc1C(=O)N1CCOCC1 ZINC000019766748 520479909 /nfs/dbraw/zinc/47/99/09/520479909.db2.gz VSYOCZZZAFDGLP-QGZVFWFLSA-N 1 2 389.500 1.263 40 0 GDABLO CCN(CC)C(=O)C[N@H+]1CCC[C@@H]1c1nc(C)ncc1C(=O)N1CCOCC1 ZINC000019766748 520479918 /nfs/dbraw/zinc/47/99/18/520479918.db2.gz VSYOCZZZAFDGLP-QGZVFWFLSA-N 1 2 389.500 1.263 40 0 GDABLO O=C(c1ccccc1)N1CC2(C1)C[N@@H+](Cc1cccnc1)C[C@@H]1C[C@@H](O)CN12 ZINC000514290267 560030072 /nfs/dbraw/zinc/03/00/72/560030072.db2.gz VVVCQSQZZLKFIB-VQTJNVASSA-N 1 2 378.476 1.227 40 0 biogenic,in-vitro GDABLO O=C(c1ccccc1)N1CC2(C1)C[N@H+](Cc1cccnc1)C[C@@H]1C[C@@H](O)CN12 ZINC000514290267 560030073 /nfs/dbraw/zinc/03/00/73/560030073.db2.gz VVVCQSQZZLKFIB-VQTJNVASSA-N 1 2 378.476 1.227 40 0 biogenic,in-vitro GDABLO Cn1c[nH+]cc1CN1CC2(C1)CN(C(=O)Nc1ccccc1)C[C@@H]1COCCN12 ZINC000604381799 570352540 /nfs/dbraw/zinc/35/25/40/570352540.db2.gz PAPXVHRNTIPHKO-LJQANCHMSA-N 1 2 396.495 1.223 40 0 biogenic,in-vitro GDABLO O=C(C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1)NC[C@@H]1COCCO1 ZINC000035315665 570469431 /nfs/dbraw/zinc/46/94/31/570469431.db2.gz CNWRIPPFWFOYNH-QGZVFWFLSA-N 1 2 380.872 1.766 40 0 GDABLO C[C@H](C(=O)NCCCn1cc[nH+]c1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000225150470 570552283 /nfs/dbraw/zinc/55/22/83/570552283.db2.gz PDSLRPIOSIZDQQ-GFCCVEGCSA-N 1 2 386.424 1.522 40 0 GDABLO CCOC(=O)Cn1c(C)c(C[N@@H+]2CCn3c(CO)nnc3C2)c2ccccc21 ZINC000012222164 570628174 /nfs/dbraw/zinc/62/81/74/570628174.db2.gz ZNVTWJKQJCBPLT-UHFFFAOYSA-N 1 2 383.452 1.612 40 0 GDABLO CCOC(=O)Cn1c(C)c(C[N@H+]2CCn3c(CO)nnc3C2)c2ccccc21 ZINC000012222164 570628175 /nfs/dbraw/zinc/62/81/75/570628175.db2.gz ZNVTWJKQJCBPLT-UHFFFAOYSA-N 1 2 383.452 1.612 40 0 GDABLO CC(C)[NH+]1CCN(S(=O)(=O)c2c[nH]cc(Br)c2=S)CC1 ZINC000072210931 530805981 /nfs/dbraw/zinc/80/59/81/530805981.db2.gz UKSNSHNZIYROEU-UHFFFAOYSA-N 1 2 380.333 1.848 40 0 GDABLO CN1CCN(C(=O)c2c(Cl)cc(C(=O)N3CC[NH+](C)CC3)cc2Cl)CC1 ZINC000045919971 206263549 /nfs/dbraw/zinc/26/35/49/206263549.db2.gz KFXZFLAWIGEYJV-UHFFFAOYSA-N 1 2 399.322 1.769 40 0 GDABLO Cc1c(C[N@@H+]2CCO[C@]3(CCCC[C@H]3NS(=O)(=O)CC(C)C)C2)cnn1C ZINC000306138913 209106364 /nfs/dbraw/zinc/10/63/64/209106364.db2.gz SKOXJJGHIBTXFA-RTBURBONSA-N 1 2 398.573 1.818 40 0 GDABLO Cc1c(C[N@H+]2CCO[C@]3(CCCC[C@H]3NS(=O)(=O)CC(C)C)C2)cnn1C ZINC000306138913 209106367 /nfs/dbraw/zinc/10/63/67/209106367.db2.gz SKOXJJGHIBTXFA-RTBURBONSA-N 1 2 398.573 1.818 40 0 GDABLO Cc1c(C[NH+]2CCN(S(=O)(=O)N3CCOCC3)CC2)[nH]c2ccc(C)cc12 ZINC000019220324 207106880 /nfs/dbraw/zinc/10/68/80/207106880.db2.gz JHHFRCMSUWMKDY-UHFFFAOYSA-N 1 2 392.525 1.479 40 0 GDABLO Cc1[nH+]c(C2CCN(C(=O)CCCN3C(=O)CNC3=O)CC2)c2sccn12 ZINC000019240804 207111587 /nfs/dbraw/zinc/11/15/87/207111587.db2.gz SCPATFCLYNSKSV-UHFFFAOYSA-N 1 2 389.481 1.742 40 0 GDABLO Nc1nc(N2CCCCC2)[nH+]c2c1[C@@H](C(=O)NCc1ccccc1)CC(=O)N2 ZINC000020635713 207209406 /nfs/dbraw/zinc/20/94/06/207209406.db2.gz KFSNZBRMYVDJRA-AWEZNQCLSA-N 1 2 380.452 1.791 40 0 GDABLO Cc1cc(-c2cc3nc(C)c(C)c(NC[C@@H](O)C[NH+]4CCOCC4)n3n2)no1 ZINC000072396612 208014608 /nfs/dbraw/zinc/01/46/08/208014608.db2.gz MSWHFPLNWIQZGV-OAHLLOKOSA-N 1 2 386.456 1.415 40 0 GDABLO Cc1nc(CN2CC[C@]3(CN(C(=O)C4CC4)C[C@H]3c3cn(C)c[nH+]3)C2=O)cs1 ZINC000306138543 209105293 /nfs/dbraw/zinc/10/52/93/209105293.db2.gz SAEQWHXHZPURPO-OXJNMPFZSA-N 1 2 399.520 1.940 40 0 GDABLO Cn1c[nH+]c([C@@H]2CN(C(=O)c3ccncc3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306127540 209097156 /nfs/dbraw/zinc/09/71/56/209097156.db2.gz GBIVSGNPQBFTQM-LAUBAEHRSA-N 1 2 379.464 1.683 40 0 GDABLO CCCN1CC[N@@H+](CC(N)=O)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257316586 209074049 /nfs/dbraw/zinc/07/40/49/209074049.db2.gz VGERFVFVGGPLQC-LJQANCHMSA-N 1 2 380.492 1.947 40 0 GDABLO CCCN1CC[N@H+](CC(N)=O)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257316586 209074046 /nfs/dbraw/zinc/07/40/46/209074046.db2.gz VGERFVFVGGPLQC-LJQANCHMSA-N 1 2 380.492 1.947 40 0 GDABLO O=C(c1ccccc1)N1C[C@@H]2COCCN2C2(C[NH+](Cc3cccnc3)C2)C1 ZINC000604381981 570353016 /nfs/dbraw/zinc/35/30/16/570353016.db2.gz XLKZZFAGAZPWTE-HXUWFJFHSA-N 1 2 378.476 1.493 40 0 biogenic,in-vitro GDABLO CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000222828451 570428242 /nfs/dbraw/zinc/42/82/42/570428242.db2.gz NAHCAQFMLWTCIK-HNNXBMFYSA-N 1 2 381.904 1.916 40 0 GDABLO Cn1cccc1/C=C(/NC(=O)c1cccs1)C(=O)NCC[NH+]1CCOCC1 ZINC000026440104 570463036 /nfs/dbraw/zinc/46/30/36/570463036.db2.gz JDXUKQSLMCRIHP-JQIJEIRASA-N 1 2 388.493 1.306 40 0 GDABLO Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NC2CC[NH+](C)CC2)s1 ZINC000223828993 570485593 /nfs/dbraw/zinc/48/55/93/570485593.db2.gz ZZUYPTUGXAGQIZ-UHFFFAOYSA-N 1 2 395.510 1.471 40 0 GDABLO O=C(Cc1cc(=O)n2[nH]cc(-c3ccc(F)cc3)c2n1)NCC[NH+]1CCCCC1 ZINC000575402074 570522880 /nfs/dbraw/zinc/52/28/80/570522880.db2.gz VOPUDTHBJIZBOG-UHFFFAOYSA-N 1 2 397.454 1.973 40 0 GDABLO Cc1cc(Nc2cccc(C(=O)N3CCN(C)[C@@H](C(=O)N(C)C)C3)c2)nc(C)[nH+]1 ZINC000257226532 570764098 /nfs/dbraw/zinc/76/40/98/570764098.db2.gz FLARFOQHGJCTIS-GOSISDBHSA-N 1 2 396.495 1.681 40 0 GDABLO C[NH+](C)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000243319568 531056041 /nfs/dbraw/zinc/05/60/41/531056041.db2.gz LMMMYBBHKQMCLU-ZDUSSCGKSA-N 1 2 380.919 1.079 40 0 GDABLO CCCS(=O)(=O)N1Cc2c([nH+]cn2Cc2ccccc2)C[C@H]1C(=O)OC ZINC000012530237 206908343 /nfs/dbraw/zinc/90/83/43/206908343.db2.gz QUATYIQVTYJCET-INIZCTEOSA-N 1 2 377.466 1.571 40 0 biogenic,in-vitro GDABLO CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1nc3c(s1)C[N@H+](C)CC3)C2=O ZINC000019664945 207146915 /nfs/dbraw/zinc/14/69/15/207146915.db2.gz DZHWYVYPZRAHHC-UHFFFAOYSA-N 1 2 391.497 1.570 40 0 GDABLO CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1nc3c(s1)C[N@@H+](C)CC3)C2=O ZINC000019664945 207146920 /nfs/dbraw/zinc/14/69/20/207146920.db2.gz DZHWYVYPZRAHHC-UHFFFAOYSA-N 1 2 391.497 1.570 40 0 GDABLO COc1ccc(NC(=O)[C@H]2CC(=O)Nc3[nH+]c(N4CCCC4)nc(N)c32)cc1 ZINC000019974090 207173526 /nfs/dbraw/zinc/17/35/26/207173526.db2.gz LNMUYZAQGFJXPF-ZDUSSCGKSA-N 1 2 382.424 1.732 40 0 GDABLO O=C(COC1CCCC1)N1CCOC[C@@]2(CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000306131546 209102318 /nfs/dbraw/zinc/10/23/18/209102318.db2.gz KIGNJHDNFDZWCE-UYAOXDASSA-N 1 2 382.501 1.054 40 0 GDABLO CC(=O)N[C@H]1CCCC[C@]12C[N@H+](Cc1cccc(NS(C)(=O)=O)c1)CCO2 ZINC000306130734 209099417 /nfs/dbraw/zinc/09/94/17/209099417.db2.gz JOEMNLVZBYONLL-OALUTQOASA-N 1 2 395.525 1.708 40 0 GDABLO CC(=O)N[C@H]1CCCC[C@]12C[N@@H+](Cc1cccc(NS(C)(=O)=O)c1)CCO2 ZINC000306130734 209099421 /nfs/dbraw/zinc/09/94/21/209099421.db2.gz JOEMNLVZBYONLL-OALUTQOASA-N 1 2 395.525 1.708 40 0 GDABLO Cc1ncsc1CN1Cc2c[nH+]cn2[C@H](COCC(=O)N2CCCC2)C1 ZINC000248066604 209030263 /nfs/dbraw/zinc/03/02/63/209030263.db2.gz XBGPSBQQNIOPHE-INIZCTEOSA-N 1 2 375.498 1.844 40 0 GDABLO CNC(=O)[C@H]1CN(C(=O)Cc2c(C)n[nH]c2C)CC[N@@H+]1CCc1ccccc1 ZINC000257247602 209059529 /nfs/dbraw/zinc/05/95/29/209059529.db2.gz IZQDOHPKMWZMBC-LJQANCHMSA-N 1 2 383.496 1.071 40 0 GDABLO CNC(=O)[C@H]1CN(C(=O)Cc2c(C)n[nH]c2C)CC[N@H+]1CCc1ccccc1 ZINC000257247602 209059531 /nfs/dbraw/zinc/05/95/31/209059531.db2.gz IZQDOHPKMWZMBC-LJQANCHMSA-N 1 2 383.496 1.071 40 0 GDABLO CNC(=O)[C@H]1CN(C(=O)CCc2c(C)n[nH]c2C)CC[N@@H+]1CCc1ccccc1 ZINC000257299443 209070759 /nfs/dbraw/zinc/07/07/59/209070759.db2.gz RQCKSHUHSRCZIZ-HXUWFJFHSA-N 1 2 397.523 1.461 40 0 GDABLO CNC(=O)[C@H]1CN(C(=O)CCc2c(C)n[nH]c2C)CC[N@H+]1CCc1ccccc1 ZINC000257299443 209070761 /nfs/dbraw/zinc/07/07/61/209070761.db2.gz RQCKSHUHSRCZIZ-HXUWFJFHSA-N 1 2 397.523 1.461 40 0 GDABLO O=c1[nH]c(N2CCOCC2)nc2c1CC[N@H+](Cc1cccn1-c1cccnc1)C2 ZINC000072335526 136168430 /nfs/dbraw/zinc/16/84/30/136168430.db2.gz FVLJYLICFRYVML-UHFFFAOYSA-N 1 2 392.463 1.351 40 0 GDABLO O=c1[nH]c(N2CCOCC2)nc2c1CC[N@@H+](Cc1cccn1-c1cccnc1)C2 ZINC000072335526 136168431 /nfs/dbraw/zinc/16/84/31/136168431.db2.gz FVLJYLICFRYVML-UHFFFAOYSA-N 1 2 392.463 1.351 40 0 GDABLO CN(C)c1nc(N2CCOCC2)[nH+]c2c1CCN(C(=O)c1ccsc1)CC2 ZINC000096254871 136185920 /nfs/dbraw/zinc/18/59/20/136185920.db2.gz QHDHVGQQBCBMEF-UHFFFAOYSA-N 1 2 387.509 1.682 40 0 GDABLO CN(C)c1nc(N2CCOCC2)[nH+]c2c1CCN(C(=O)c1ccccc1F)CC2 ZINC000096254889 136185976 /nfs/dbraw/zinc/18/59/76/136185976.db2.gz PANZHJIXIKIWFU-UHFFFAOYSA-N 1 2 399.470 1.759 40 0 GDABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@@](COc2cccc(Cl)c2)(CC(N)=O)C1 ZINC000257336909 209079365 /nfs/dbraw/zinc/07/93/65/209079365.db2.gz YQNKFIACZQTZSU-IBGZPJMESA-N 1 2 392.887 1.907 40 0 GDABLO Cc1nn(C)cc1C[N@H+]1CCO[C@@](COc2cccc(Cl)c2)(CC(N)=O)C1 ZINC000257336909 209079369 /nfs/dbraw/zinc/07/93/69/209079369.db2.gz YQNKFIACZQTZSU-IBGZPJMESA-N 1 2 392.887 1.907 40 0 GDABLO O=C(Cc1ccccc1)N1C[C@H]2C[C@@H](O)C[N@H+]2C2(CN(Cc3nccs3)C2)C1 ZINC000514290068 560030881 /nfs/dbraw/zinc/03/08/81/560030881.db2.gz SFVNPLVFLJFMRN-QZTJIDSGSA-N 1 2 398.532 1.218 40 0 biogenic,in-vitro GDABLO O=C(Cc1ccccc1)N1C[C@H]2C[C@@H](O)C[N@@H+]2C2(CN(Cc3nccs3)C2)C1 ZINC000514290068 560030883 /nfs/dbraw/zinc/03/08/83/560030883.db2.gz SFVNPLVFLJFMRN-QZTJIDSGSA-N 1 2 398.532 1.218 40 0 biogenic,in-vitro GDABLO O=C(Cc1ccccc1)N1C[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3ccccc3)C2)C1 ZINC000514288913 560033981 /nfs/dbraw/zinc/03/39/81/560033981.db2.gz GZZIMCNFQDOANM-FCHUYYIVSA-N 1 2 391.515 1.761 40 0 biogenic,in-vitro GDABLO COC(=O)[C@@H]1Cc2[nH+]cn(C(C)C)c2CN1S(=O)(=O)c1ccc(OC)cc1 ZINC000015676504 560095688 /nfs/dbraw/zinc/09/56/88/560095688.db2.gz GWGKSDSPQANNRQ-INIZCTEOSA-N 1 2 393.465 1.761 40 0 biogenic,in-vitro GDABLO O=C(/C=C/C[NH+]1CCOCC1)N1CC[C@@H](O)[C@H](Cc2ccc(Cl)cc2)C1 ZINC000585291952 570260261 /nfs/dbraw/zinc/26/02/61/570260261.db2.gz UDAFEJIHDIOIGW-FHSFFADKSA-N 1 2 378.900 1.980 40 0 GDABLO Cc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2[nH+]c(N3CCOCC3)nc(N)c21 ZINC000020800012 570281072 /nfs/dbraw/zinc/28/10/72/570281072.db2.gz FEWNFJAUYOKQTO-GFCCVEGCSA-N 1 2 382.424 1.268 40 0 GDABLO CCC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000222979031 570434665 /nfs/dbraw/zinc/43/46/65/570434665.db2.gz MGWXOSIQWPRPQO-MRXNPFEDSA-N 1 2 377.485 1.271 40 0 GDABLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2=O)C1 ZINC000017079260 570918223 /nfs/dbraw/zinc/91/82/23/570918223.db2.gz IOXQJUBVCRNTNG-UKRRQHHQSA-N 1 2 388.420 1.365 40 0 GDABLO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2=O)C1 ZINC000017079260 570918225 /nfs/dbraw/zinc/91/82/25/570918225.db2.gz IOXQJUBVCRNTNG-UKRRQHHQSA-N 1 2 388.420 1.365 40 0 GDABLO CC(C)Nc1[nH+]c2cc(Cl)c(Cl)cc2n1[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O ZINC000136786609 531116016 /nfs/dbraw/zinc/11/60/16/531116016.db2.gz KJFBVJALEQWJBS-ZOBORPQBSA-N 1 2 376.240 1.775 40 0 GDABLO C[N@@H+]1CCCC[C@@H]1c1nnc2n1CCN(C(=O)CN1CCCCCC1=O)CC2 ZINC000019706452 207151071 /nfs/dbraw/zinc/15/10/71/207151071.db2.gz DCCMOXZCRXEYSN-MRXNPFEDSA-N 1 2 388.516 1.222 40 0 GDABLO C[N@H+]1CCCC[C@@H]1c1nnc2n1CCN(C(=O)CN1CCCCCC1=O)CC2 ZINC000019706452 207151073 /nfs/dbraw/zinc/15/10/73/207151073.db2.gz DCCMOXZCRXEYSN-MRXNPFEDSA-N 1 2 388.516 1.222 40 0 GDABLO COc1ccc(S(=O)(=O)N2CCc3nnc([C@@H]4CCC[N@@H+]4C)n3CC2)cc1 ZINC000019706495 207151260 /nfs/dbraw/zinc/15/12/60/207151260.db2.gz KCLWKTRBQJSOPV-INIZCTEOSA-N 1 2 391.497 1.300 40 0 GDABLO COc1ccc(S(=O)(=O)N2CCc3nnc([C@@H]4CCC[N@H+]4C)n3CC2)cc1 ZINC000019706495 207151265 /nfs/dbraw/zinc/15/12/65/207151265.db2.gz KCLWKTRBQJSOPV-INIZCTEOSA-N 1 2 391.497 1.300 40 0 GDABLO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000072390354 208012282 /nfs/dbraw/zinc/01/22/82/208012282.db2.gz DMOULTFLFLISQZ-UHFFFAOYSA-N 1 2 382.445 1.782 40 0 GDABLO CC(C)(C[NH+]1CCOCC1)NC(=O)[C@@H]1[C@H]2C(=O)Nc3ccccc3C(=O)[C@]12C ZINC000100217213 208374395 /nfs/dbraw/zinc/37/43/95/208374395.db2.gz ARTMOKPRLYTRDI-QYWGDWMGSA-N 1 2 385.464 1.301 40 0 GDABLO COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCCn2cc[nH+]c2)cc1C ZINC000408592852 533067842 /nfs/dbraw/zinc/06/78/42/533067842.db2.gz MDHUZCLKESSROT-CQSZACIVSA-N 1 2 380.470 1.073 40 0 GDABLO C[C@@H]1C[C@H]1C(=O)N1CC[C@]2(C1)COCc1cnc(NCc3c[nH+]cn3C)nc12 ZINC000306126045 209097357 /nfs/dbraw/zinc/09/73/57/209097357.db2.gz DKPQMJVGMZMXOF-AUJRIZCKSA-N 1 2 382.468 1.479 40 0 GDABLO C[N@@H+]1CCN2C(=O)c3ccccc3OCC[C@@H]3CCC[C@@H](CNC(=O)[C@@H]2C1)O3 ZINC000253405054 209039499 /nfs/dbraw/zinc/03/94/99/209039499.db2.gz RSOWWVRLDMOOBG-BQFCYCMXSA-N 1 2 387.480 1.279 40 0 GDABLO C[N@H+]1CCN2C(=O)c3ccccc3OCC[C@@H]3CCC[C@@H](CNC(=O)[C@@H]2C1)O3 ZINC000253405054 209039503 /nfs/dbraw/zinc/03/95/03/209039503.db2.gz RSOWWVRLDMOOBG-BQFCYCMXSA-N 1 2 387.480 1.279 40 0 GDABLO Cc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@@]2(CCCN2S(C)(=O)=O)[C@@H](O)C1 ZINC000257213439 209057726 /nfs/dbraw/zinc/05/77/26/209057726.db2.gz CHPZRELMHOUYFZ-LPHOPBHVSA-N 1 2 395.525 1.103 40 0 GDABLO Cc1cccc(C)c1NC(=O)C[N@H+]1CC[C@@]2(CCCN2S(C)(=O)=O)[C@@H](O)C1 ZINC000257213439 209057728 /nfs/dbraw/zinc/05/77/28/209057728.db2.gz CHPZRELMHOUYFZ-LPHOPBHVSA-N 1 2 395.525 1.103 40 0 GDABLO CNC(=O)[C@@H]1CN(C(=O)CCn2nccc2C)CC[N@@H+]1CCc1ccccc1 ZINC000257214869 209057867 /nfs/dbraw/zinc/05/78/67/209057867.db2.gz CNUQPQIDQLEOEF-IBGZPJMESA-N 1 2 383.496 1.083 40 0 GDABLO CNC(=O)[C@@H]1CN(C(=O)CCn2nccc2C)CC[N@H+]1CCc1ccccc1 ZINC000257214869 209057871 /nfs/dbraw/zinc/05/78/71/209057871.db2.gz CNUQPQIDQLEOEF-IBGZPJMESA-N 1 2 383.496 1.083 40 0 GDABLO COC(=O)[C@]1(Cc2ccccc2)[NH2+][C@H](c2cccs2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000231644183 533626774 /nfs/dbraw/zinc/62/67/74/533626774.db2.gz PWTAHIRMPVWDQI-AXHMDWHKSA-N 1 2 384.457 1.778 40 0 GDABLO NC(=O)C[C@@]1(COc2ccc(Cl)cc2)CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC000585287451 570258662 /nfs/dbraw/zinc/25/86/62/570258662.db2.gz XDHCRWYVUFABTO-SFHVURJKSA-N 1 2 392.843 1.089 40 0 GDABLO O=C(N[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccccc1)C(Cl)(Cl)Cl ZINC000575421126 570307132 /nfs/dbraw/zinc/30/71/32/570307132.db2.gz NAQMEYDZRGLXTN-QWRGUYRKSA-N 1 2 385.700 1.428 40 0 GDABLO O=C(Nc1ccccc1)N1C[C@@H]2COCCN2C2(C[NH+](Cc3cccnc3)C2)C1 ZINC000604382007 570353207 /nfs/dbraw/zinc/35/32/07/570353207.db2.gz YNVYZKOQXNHUJC-HXUWFJFHSA-N 1 2 393.491 1.885 40 0 biogenic,in-vitro GDABLO CC[C@H](C(=O)NCC[NH+]1CCOCC1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220545995 570388064 /nfs/dbraw/zinc/38/80/64/570388064.db2.gz JHDVAJIGXVUGRG-QGZVFWFLSA-N 1 2 397.541 1.296 40 0 GDABLO COCCc1ncc(C[N@@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)cn1 ZINC000012122243 570613048 /nfs/dbraw/zinc/61/30/48/570613048.db2.gz WMMKGALMYVILFG-UHFFFAOYSA-N 1 2 378.436 1.781 40 0 GDABLO COCCc1ncc(C[N@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)cn1 ZINC000012122243 570613050 /nfs/dbraw/zinc/61/30/50/570613050.db2.gz WMMKGALMYVILFG-UHFFFAOYSA-N 1 2 378.436 1.781 40 0 GDABLO Cc1cc(S(=O)(=O)N2CC[NH+](C)CC2)c(C)n1S(=O)(=O)c1ccccc1 ZINC000013585994 570853068 /nfs/dbraw/zinc/85/30/68/570853068.db2.gz WBXXXDIFABYEAP-UHFFFAOYSA-N 1 2 397.522 1.278 40 0 GDABLO CCOC(=O)[C@]1(CCSC)[NH2+][C@H](c2cccs2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000231642573 531036519 /nfs/dbraw/zinc/03/65/19/531036519.db2.gz WFTMLNLONYZUPY-HPTBWKMGSA-N 1 2 382.507 1.678 40 0 GDABLO C[C@H](C(=O)N1CCN([C@@H](c2nccn2C)c2ccccc2)CC1)[NH+]1CCOCC1 ZINC000019079074 207101426 /nfs/dbraw/zinc/10/14/26/207101426.db2.gz WHGWCCGGMBEOQR-UYAOXDASSA-N 1 2 397.523 1.374 40 0 GDABLO C[C@H](C(=O)N1CCN([C@H](c2nccn2C)c2ccccc2)CC1)[NH+]1CCOCC1 ZINC000019079068 207101727 /nfs/dbraw/zinc/10/17/27/207101727.db2.gz WHGWCCGGMBEOQR-QUCCMNQESA-N 1 2 397.523 1.374 40 0 GDABLO O=C1CCc2cc(S(=O)(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)ccc2N1 ZINC000019346279 207116911 /nfs/dbraw/zinc/11/69/11/207116911.db2.gz JSFLNBHVJRRYRD-HNNXBMFYSA-N 1 2 393.509 1.304 40 0 GDABLO C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CC[NH+](Cc3ccccn3)CC1)C2=O ZINC000019496102 207125364 /nfs/dbraw/zinc/12/53/64/207125364.db2.gz GBMCSNFGXLJZMM-IIBYNOLFSA-N 1 2 399.495 1.227 40 0 GDABLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(=O)n(CC(=O)NC2CCCC2)c1)C1CC1 ZINC000019749301 207159615 /nfs/dbraw/zinc/15/96/15/207159615.db2.gz HFVWDRQZHKSMRD-IBGZPJMESA-N 1 2 397.479 1.522 40 0 GDABLO CNC(=O)c1ccc([C@H]2CCCN2C(=O)C[N@H+](C)Cc2ccccn2)nc1C ZINC000019711200 207153072 /nfs/dbraw/zinc/15/30/72/207153072.db2.gz LTDGITPEYAYWHY-LJQANCHMSA-N 1 2 381.480 1.940 40 0 GDABLO CNC(=O)c1ccc([C@H]2CCCN2C(=O)C[N@@H+](C)Cc2ccccn2)nc1C ZINC000019711200 207153077 /nfs/dbraw/zinc/15/30/77/207153077.db2.gz LTDGITPEYAYWHY-LJQANCHMSA-N 1 2 381.480 1.940 40 0 GDABLO CCc1[nH+]c2ccccc2n1[C@@H](C)C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000019718478 207155917 /nfs/dbraw/zinc/15/59/17/207155917.db2.gz DLKKKYKKGAMCLW-ZDUSSCGKSA-N 1 2 383.452 1.703 40 0 GDABLO CS(=O)(=O)N(CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000020047494 207175540 /nfs/dbraw/zinc/17/55/40/207175540.db2.gz HYJLFGFUIKZFNU-UHFFFAOYSA-N 1 2 384.461 1.955 40 0 GDABLO Cc1nc(C)c(CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(=O)[nH]1 ZINC000019937486 207171489 /nfs/dbraw/zinc/17/14/89/207171489.db2.gz BGEIEUBPELBRGN-UHFFFAOYSA-N 1 2 384.436 1.002 40 0 GDABLO COc1ccccc1[C@@H]1CC(=O)c2cnc(N3CC[NH+](CCO)CC3)nc2C1 ZINC000020478102 207196789 /nfs/dbraw/zinc/19/67/89/207196789.db2.gz YURRTOMTRPFIHH-HNNXBMFYSA-N 1 2 382.464 1.512 40 0 GDABLO C[N@@H+]1CC[C@H](COc2ccccn2)CC12CN(S(=O)(=O)C(F)(F)F)C2 ZINC000306127943 209100291 /nfs/dbraw/zinc/10/02/91/209100291.db2.gz GLJFWVZPDBWVSY-LBPRGKRZSA-N 1 2 379.404 1.706 40 0 GDABLO C[N@H+]1CC[C@H](COc2ccccn2)CC12CN(S(=O)(=O)C(F)(F)F)C2 ZINC000306127943 209100294 /nfs/dbraw/zinc/10/02/94/209100294.db2.gz GLJFWVZPDBWVSY-LBPRGKRZSA-N 1 2 379.404 1.706 40 0 GDABLO Cc1cc(N2CCC[C@](O)(CN(C)C(=O)c3ccc4c(c3)ncn4C)C2)nc[nH+]1 ZINC000257269850 209063743 /nfs/dbraw/zinc/06/37/43/209063743.db2.gz MRQZBMJDRXNPGC-NRFANRHFSA-N 1 2 394.479 1.775 40 0 GDABLO O=C(c1ccccc1)N1CC[C@H]2CC(=O)N(CC[NH+]3CCOCC3)CC[C@H]2C1 ZINC000015672918 560230559 /nfs/dbraw/zinc/23/05/59/560230559.db2.gz VPADUCTWQVSSRF-PMACEKPBSA-N 1 2 385.508 1.720 40 0 biogenic,in-vitro GDABLO Cc1ccc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2NC(=O)C(Cl)(Cl)Cl)cc1 ZINC000575420003 570307381 /nfs/dbraw/zinc/30/73/81/570307381.db2.gz CZPLJPSEANCBIJ-RYUDHWBXSA-N 1 2 399.727 1.737 40 0 GDABLO COc1ccc([C@@H](CNC(=O)N[C@H]2CCS(=O)(=O)C2)[NH+]2CCCC2)cc1 ZINC000052634764 570420033 /nfs/dbraw/zinc/42/00/33/570420033.db2.gz VSZXMWRMPFCCJY-DOTOQJQBSA-N 1 2 381.498 1.318 40 0 GDABLO Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NC3CC[NH+](C)CC3)s2)cc1 ZINC000224848175 570534121 /nfs/dbraw/zinc/53/41/21/570534121.db2.gz PXZXXNVTXOKVNQ-UHFFFAOYSA-N 1 2 395.510 1.471 40 0 GDABLO CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCn1cc[nH+]c1 ZINC000225786522 570617178 /nfs/dbraw/zinc/61/71/78/570617178.db2.gz QCTURGQVRUQQSD-KRWDZBQOSA-N 1 2 394.497 1.643 40 0 GDABLO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)c2)CC1 ZINC000065362027 570759471 /nfs/dbraw/zinc/75/94/71/570759471.db2.gz BJWLVHCIISQFOO-HDMKZQKVSA-N 1 2 377.510 1.541 40 0 GDABLO Cc1ccc(NC(=O)C[S@](=O)CC(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000015935656 570908830 /nfs/dbraw/zinc/90/88/30/570908830.db2.gz GZPAJJPTNVMSLX-HHHXNRCGSA-N 1 2 391.537 1.769 40 0 GDABLO CCOC(=O)[C@]1(CCSC)[NH2+][C@H](c2cccs2)[C@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000245230667 531056768 /nfs/dbraw/zinc/05/67/68/531056768.db2.gz WFTMLNLONYZUPY-APNQJHFZSA-N 1 2 382.507 1.678 40 0 GDABLO COC(=O)c1ccc(Nc2cc(-c3ccccc3)[nH+]c(NCCO)n2)cc1OC ZINC000329054789 206242642 /nfs/dbraw/zinc/24/26/42/206242642.db2.gz VLLFQNCNECZNMA-UHFFFAOYSA-N 1 2 394.431 1.930 40 0 GDABLO CC(C)N1C[C@]2(CC[N@H+](Cc3cnn(C)c3)C2)Oc2ccccc2S1(=O)=O ZINC000306139190 209106128 /nfs/dbraw/zinc/10/61/28/209106128.db2.gz SRTZEQCFVJNBIE-LJQANCHMSA-N 1 2 390.509 1.856 40 0 GDABLO CC(C)N1C[C@]2(CC[N@@H+](Cc3cnn(C)c3)C2)Oc2ccccc2S1(=O)=O ZINC000306139190 209106131 /nfs/dbraw/zinc/10/61/31/209106131.db2.gz SRTZEQCFVJNBIE-LJQANCHMSA-N 1 2 390.509 1.856 40 0 GDABLO Cc1c(C[N@@H+]2CCO[C@@]3(CCCC[C@@H]3NS(=O)(=O)CC(C)C)C2)cnn1C ZINC000306138911 209105969 /nfs/dbraw/zinc/10/59/69/209105969.db2.gz SKOXJJGHIBTXFA-OALUTQOASA-N 1 2 398.573 1.818 40 0 GDABLO Cc1c(C[N@H+]2CCO[C@@]3(CCCC[C@@H]3NS(=O)(=O)CC(C)C)C2)cnn1C ZINC000306138911 209105971 /nfs/dbraw/zinc/10/59/71/209105971.db2.gz SKOXJJGHIBTXFA-OALUTQOASA-N 1 2 398.573 1.818 40 0 GDABLO Cc1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000014508115 207022604 /nfs/dbraw/zinc/02/26/04/207022604.db2.gz KTUITPZJOUADOG-UHFFFAOYSA-N 1 2 387.505 1.861 40 0 GDABLO Cc1ccc(C)c([C@@H](O)C[NH+]2CCN(S(=O)(=O)N3CCCCC3)CC2)c1 ZINC000019132125 207104784 /nfs/dbraw/zinc/10/47/84/207104784.db2.gz ZJSRVVGXBMNAEZ-IBGZPJMESA-N 1 2 381.542 1.685 40 0 GDABLO CCOC(=O)C[NH+]1CCC(O)(Cn2cnc3sc(C)c(C)c3c2=O)CC1 ZINC000019530514 207131233 /nfs/dbraw/zinc/13/12/33/207131233.db2.gz QNTLYYMWOTXQOV-UHFFFAOYSA-N 1 2 379.482 1.465 40 0 GDABLO Cc1ncncc1C(=O)N1CCC[C@H]1c1ccc(C(=O)N2CC[NH+](C)CC2)cn1 ZINC000019708743 207150511 /nfs/dbraw/zinc/15/05/11/207150511.db2.gz XUYPWDMBNPPTIB-IBGZPJMESA-N 1 2 394.479 1.545 40 0 GDABLO Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3[nH+]c(N4CCOCC4)nc(N)c32)cc1C ZINC000020635766 207208549 /nfs/dbraw/zinc/20/85/49/207208549.db2.gz PZNHNNKDBANGJH-AWEZNQCLSA-N 1 2 396.451 1.577 40 0 GDABLO Cc1cc(-c2ccc(N)[nH+]c2)cc([C@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C2)n1 ZINC000072374676 208009857 /nfs/dbraw/zinc/00/98/57/208009857.db2.gz PTFUWOSXMKNJRL-HNNXBMFYSA-N 1 2 390.447 1.758 40 0 GDABLO Cn1cnc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2nccs2)C3)c1 ZINC000096215767 208285459 /nfs/dbraw/zinc/28/54/59/208285459.db2.gz DXHFDAFWNSDGEY-MRXNPFEDSA-N 1 2 381.527 1.553 40 0 GDABLO Cn1cnc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2nccs2)C3)c1 ZINC000096215767 208285464 /nfs/dbraw/zinc/28/54/64/208285464.db2.gz DXHFDAFWNSDGEY-MRXNPFEDSA-N 1 2 381.527 1.553 40 0 GDABLO Cc1ncsc1CN1Cc2c[nH+]cn2[C@@H](COCC(=O)N2CCCC2)C1 ZINC000248066612 209029332 /nfs/dbraw/zinc/02/93/32/209029332.db2.gz XBGPSBQQNIOPHE-MRXNPFEDSA-N 1 2 375.498 1.844 40 0 GDABLO CC(C)NC(=O)[C@H]1CN(Cc2ccc(S(C)(=O)=O)cc2)Cc2c[nH+]cn21 ZINC000247989513 209029634 /nfs/dbraw/zinc/02/96/34/209029634.db2.gz KBFZLIFRSPGVNQ-QGZVFWFLSA-N 1 2 376.482 1.368 40 0 GDABLO Cc1cc(N2CCC[C@](O)(CNC(=O)c3ccc4c(c3)ncn4C)C2)nc[nH+]1 ZINC000257279996 209067065 /nfs/dbraw/zinc/06/70/65/209067065.db2.gz OJBLYAFKGROBAO-FQEVSTJZSA-N 1 2 380.452 1.433 40 0 GDABLO Cc1[nH]c2ccc(Cl)cc2c1CC(=O)N1CC[N@H+](C)[C@@H](C(=O)N(C)C)C1 ZINC000257287611 209067984 /nfs/dbraw/zinc/06/79/84/209067984.db2.gz PQSJGLFSNPTZNY-QGZVFWFLSA-N 1 2 376.888 1.903 40 0 GDABLO Cc1[nH]c2ccc(Cl)cc2c1CC(=O)N1CC[N@@H+](C)[C@@H](C(=O)N(C)C)C1 ZINC000257287611 209067989 /nfs/dbraw/zinc/06/79/89/209067989.db2.gz PQSJGLFSNPTZNY-QGZVFWFLSA-N 1 2 376.888 1.903 40 0 GDABLO COc1nc(OC)nc(N2CCC[C@@H]2c2ccc(C[NH+]3CCOCC3)cn2)n1 ZINC000257331333 209076448 /nfs/dbraw/zinc/07/64/48/209076448.db2.gz XSKOQBREFZSMDQ-MRXNPFEDSA-N 1 2 386.456 1.458 40 0 GDABLO CN(CC(=O)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1)Cc1nc2ccccc2[nH]1 ZINC000257341243 209078184 /nfs/dbraw/zinc/07/81/84/209078184.db2.gz ZJMWFCVVTXKSPR-ROUUACIJSA-N 1 2 382.468 1.416 40 0 GDABLO CC(C)CNS(=O)(=O)c1ccc(CCC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000408587264 528066333 /nfs/dbraw/zinc/06/63/33/528066333.db2.gz BICUEJFXSPPOCS-UHFFFAOYSA-N 1 2 397.541 1.002 40 0 GDABLO CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000408600665 528585509 /nfs/dbraw/zinc/58/55/09/528585509.db2.gz BVADJVKTWZELPE-CQSZACIVSA-N 1 2 380.470 1.155 40 0 GDABLO C[C@H]1OC[C@@H](O)[C@H]([C@H](O)C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)O1 ZINC000005496234 570442525 /nfs/dbraw/zinc/44/25/25/570442525.db2.gz NIBVLQIHAJKBNW-JJCGOBCMSA-N 1 2 385.460 1.741 40 0 GDABLO CCNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000026100311 570445923 /nfs/dbraw/zinc/44/59/23/570445923.db2.gz VXBGKFPVHDNRHN-UHFFFAOYSA-N 1 2 388.537 1.865 40 0 GDABLO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)N3CCc4ccccc4C3)c2)CC1 ZINC000050080847 570665885 /nfs/dbraw/zinc/66/58/85/570665885.db2.gz OGAYYVBRWZBONF-UHFFFAOYSA-N 1 2 399.516 1.821 40 0 GDABLO Cc1cc(N2CCC[C@H](C)C2)nc(NC(=S)NCC[NH+]2CCOCC2)n1 ZINC000260724390 570700227 /nfs/dbraw/zinc/70/02/27/570700227.db2.gz ZPXSFNLERLYBDA-AWEZNQCLSA-N 1 2 378.546 1.640 40 0 GDABLO Cc1cncc(C[N@@H+]2CCC[C@@]3(CC(C(=O)NC4CC(F)(F)C4)=NO3)C2)n1 ZINC000585101339 570926950 /nfs/dbraw/zinc/92/69/50/570926950.db2.gz ZDKYLRZJJNABSN-QGZVFWFLSA-N 1 2 379.411 1.810 40 0 GDABLO Cc1cncc(C[N@H+]2CCC[C@@]3(CC(C(=O)NC4CC(F)(F)C4)=NO3)C2)n1 ZINC000585101339 570926951 /nfs/dbraw/zinc/92/69/51/570926951.db2.gz ZDKYLRZJJNABSN-QGZVFWFLSA-N 1 2 379.411 1.810 40 0 GDABLO CC(=O)Nc1cccc(-c2c[nH+]c3n2CCN(C(=O)[C@H]2CCC(=O)N2)CC3)c1 ZINC000585111568 570941945 /nfs/dbraw/zinc/94/19/45/570941945.db2.gz WSMUBCLBXYXOHC-MRXNPFEDSA-N 1 2 381.436 1.172 40 0 GDABLO Cc1ccc(N([C@H](C)C(=O)NCCCn2cc[nH+]c2)S(C)(=O)=O)cc1C ZINC000408615842 231081224 /nfs/dbraw/zinc/08/12/24/231081224.db2.gz SWSHWXZWZJQMKX-MRXNPFEDSA-N 1 2 378.498 1.861 40 0 GDABLO O=C(COc1ccc(I)cc1)NCC[NH+]1CCOCC1 ZINC000045973172 530648037 /nfs/dbraw/zinc/64/80/37/530648037.db2.gz UAIUYUOCCYUXGP-UHFFFAOYSA-N 1 2 390.221 1.118 40 0 GDABLO CSc1ccc(S(=O)(=O)NCCC[NH+]2CCOCC2)cc1NC(C)=O ZINC000223141596 531028106 /nfs/dbraw/zinc/02/81/06/531028106.db2.gz GASBAHAPDLZCLV-UHFFFAOYSA-N 1 2 387.527 1.368 40 0 GDABLO Cc1c(C[N@@H+]2CCO[C@]3(CCCC[C@@H]3NS(=O)(=O)CC(C)C)C2)cnn1C ZINC000306138912 209106433 /nfs/dbraw/zinc/10/64/33/209106433.db2.gz SKOXJJGHIBTXFA-RBUKOAKNSA-N 1 2 398.573 1.818 40 0 GDABLO Cc1c(C[N@H+]2CCO[C@]3(CCCC[C@@H]3NS(=O)(=O)CC(C)C)C2)cnn1C ZINC000306138912 209106437 /nfs/dbraw/zinc/10/64/37/209106437.db2.gz SKOXJJGHIBTXFA-RBUKOAKNSA-N 1 2 398.573 1.818 40 0 GDABLO COc1ncccc1C[N@@H+]1CC[C@@]2(C1)CN(C)S(=O)(=O)c1ccccc1O2 ZINC000306139020 209106092 /nfs/dbraw/zinc/10/60/92/209106092.db2.gz SNHAPRWIYDSFJQ-IBGZPJMESA-N 1 2 389.477 1.748 40 0 GDABLO COc1ncccc1C[N@H+]1CC[C@@]2(C1)CN(C)S(=O)(=O)c1ccccc1O2 ZINC000306139020 209106093 /nfs/dbraw/zinc/10/60/93/209106093.db2.gz SNHAPRWIYDSFJQ-IBGZPJMESA-N 1 2 389.477 1.748 40 0 GDABLO Cn1cc[nH+]c1[C@@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CC(=O)OC2(C)C)CC1 ZINC000019460448 207123306 /nfs/dbraw/zinc/12/33/06/207123306.db2.gz ZBRWEDXRFOXOLP-PKOBYXMFSA-N 1 2 396.491 1.995 40 0 GDABLO C[N@@H+]1CCc2nc([C@H]3CCCN(C(=O)c4cc(C5CC5)[nH]n4)C3)[nH]c(=O)c2C1 ZINC000019590264 207142221 /nfs/dbraw/zinc/14/22/21/207142221.db2.gz CFHKTYXAVJHJRA-ZDUSSCGKSA-N 1 2 382.468 1.790 40 0 GDABLO C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)c4cc(C5CC5)[nH]n4)C3)[nH]c(=O)c2C1 ZINC000019590264 207142225 /nfs/dbraw/zinc/14/22/25/207142225.db2.gz CFHKTYXAVJHJRA-ZDUSSCGKSA-N 1 2 382.468 1.790 40 0 GDABLO Cc1cc(Br)c(S(=O)(=O)N2CC[NH+](CCO)CC2)cc1C ZINC000041092086 207618228 /nfs/dbraw/zinc/61/82/28/207618228.db2.gz PRHWVYMQDNSPED-UHFFFAOYSA-N 1 2 377.304 1.365 40 0 GDABLO Cc1ccc(N2C[C@]3(COCC[N@@H+](Cc4cnn(C)c4)C3)OCC2=O)s1 ZINC000096051458 208256475 /nfs/dbraw/zinc/25/64/75/208256475.db2.gz MMHJFGXINFXREO-GOSISDBHSA-N 1 2 376.482 1.424 40 0 GDABLO Cc1ccc(N2C[C@]3(COCC[N@H+](Cc4cnn(C)c4)C3)OCC2=O)s1 ZINC000096051458 208256481 /nfs/dbraw/zinc/25/64/81/208256481.db2.gz MMHJFGXINFXREO-GOSISDBHSA-N 1 2 376.482 1.424 40 0 GDABLO CN(C)C(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1CN(C(=O)c1ccccn1)CCC2 ZINC000096056134 208258963 /nfs/dbraw/zinc/25/89/63/208258963.db2.gz MWINVSFQPQPIKJ-JTSKRJEESA-N 1 2 393.491 1.924 40 0 GDABLO CN(C)C(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1CN(C(=O)c1ccncc1)CCC2 ZINC000096094449 208264622 /nfs/dbraw/zinc/26/46/22/208264622.db2.gz LMVCXSIWVSPCQX-AVRDEDQJSA-N 1 2 393.491 1.924 40 0 GDABLO CCCCS(=O)(=O)N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC000096230240 208290679 /nfs/dbraw/zinc/29/06/79/208290679.db2.gz LYEXQHYBNRVCPZ-UHFFFAOYSA-N 1 2 379.526 1.583 40 0 GDABLO CCCCS(=O)(=O)N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC000096230240 208290685 /nfs/dbraw/zinc/29/06/85/208290685.db2.gz LYEXQHYBNRVCPZ-UHFFFAOYSA-N 1 2 379.526 1.583 40 0 GDABLO CNC(=O)[C@H]1CN(C(=O)Cn2nc(C)cc2C)CC[N@@H+]1CCc1ccccc1 ZINC000257299200 209070919 /nfs/dbraw/zinc/07/09/19/209070919.db2.gz RPCJZLJGFNNDEX-LJQANCHMSA-N 1 2 383.496 1.001 40 0 GDABLO CNC(=O)[C@H]1CN(C(=O)Cn2nc(C)cc2C)CC[N@H+]1CCc1ccccc1 ZINC000257299200 209070920 /nfs/dbraw/zinc/07/09/20/209070920.db2.gz RPCJZLJGFNNDEX-LJQANCHMSA-N 1 2 383.496 1.001 40 0 GDABLO O=C(C[NH2+][C@@H]1C=CS(=O)(=O)C1)N[C@H](Cc1ccsc1)c1ccccn1 ZINC000072341797 222232157 /nfs/dbraw/zinc/23/21/57/222232157.db2.gz RBFWTOIBFUWOHX-GDBMZVCRSA-N 1 2 377.491 1.443 40 0 GDABLO CCOc1ccc(C(=O)N2CC[NH+](C)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000408696911 528392879 /nfs/dbraw/zinc/39/28/79/528392879.db2.gz GBXQDUFWJILHGO-UHFFFAOYSA-N 1 2 381.498 1.257 40 0 GDABLO COc1ccc([C@H]2[NH+]=C(N3CCOCC3)Nc3nc(C)cc(=O)n32)c(OC)c1 ZINC000104279789 570300474 /nfs/dbraw/zinc/30/04/74/570300474.db2.gz OCIIGZHIIQNSTP-KRWDZBQOSA-N 1 2 385.424 1.230 40 0 GDABLO COc1ccc([C@H](CNC(=O)N[C@@H]2CCS(=O)(=O)C2)[NH+]2CCCC2)cc1 ZINC000052634762 570420021 /nfs/dbraw/zinc/42/00/21/570420021.db2.gz VSZXMWRMPFCCJY-WBVHZDCISA-N 1 2 381.498 1.318 40 0 GDABLO C[NH+]1CCN(n2ccc3c(nnc4c(-c5ccc(Cl)cc5)cnn43)c2=O)CC1 ZINC000040392427 570600614 /nfs/dbraw/zinc/60/06/14/570600614.db2.gz CCAWKVWAVNKCQS-UHFFFAOYSA-N 1 2 395.854 1.643 40 0 GDABLO CCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](c1ccccc1C)[NH2+][C@@]2(CCSC)C(=O)OC ZINC000100420876 570707919 /nfs/dbraw/zinc/70/79/19/570707919.db2.gz SHMAQEIEMVMZJQ-ZKNHNOBHSA-N 1 2 390.505 1.925 40 0 GDABLO CCN(CC)S(=O)(=O)N1CC[C@@H](c2ncncc2-c2cc[nH+]c(N)c2)C1 ZINC000257236417 570767111 /nfs/dbraw/zinc/76/71/11/570767111.db2.gz HCBHJIYCHMAXRA-CQSZACIVSA-N 1 2 376.486 1.497 40 0 GDABLO CCCNS(=O)(=O)c1cc(C(=O)NCCCn2cc[nH+]c2)ccc1OC ZINC000009063927 570774221 /nfs/dbraw/zinc/77/42/21/570774221.db2.gz MTIITBSSZGJDJD-UHFFFAOYSA-N 1 2 380.470 1.400 40 0 GDABLO Cc1cccc(C(=O)N2Cc3c[nH+]cn3[C@H](C(=O)NCC3CCOCC3)C2)c1 ZINC000585096162 570922612 /nfs/dbraw/zinc/92/26/12/570922612.db2.gz WOUQZJIRZWPHBD-IBGZPJMESA-N 1 2 382.464 1.931 40 0 GDABLO CC[C@@H](c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CC[NH+](C)CC1 ZINC000019500656 570926672 /nfs/dbraw/zinc/92/66/72/570926672.db2.gz ZCCMIXWCKBCLQA-INIZCTEOSA-N 1 2 378.502 1.111 40 0 GDABLO Cc1cncc(C[N@@H+]2CCC[C@@]3(CC(C(=O)N4CC(F)(C5CC5)C4)=NO3)C2)n1 ZINC000585101321 570927019 /nfs/dbraw/zinc/92/70/19/570927019.db2.gz YBLPDQMTGIMJNI-LJQANCHMSA-N 1 2 387.459 1.856 40 0 GDABLO Cc1cncc(C[N@H+]2CCC[C@@]3(CC(C(=O)N4CC(F)(C5CC5)C4)=NO3)C2)n1 ZINC000585101321 570927021 /nfs/dbraw/zinc/92/70/21/570927021.db2.gz YBLPDQMTGIMJNI-LJQANCHMSA-N 1 2 387.459 1.856 40 0 GDABLO Cc1sc(C(N)=O)cc1S(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019200788 530567497 /nfs/dbraw/zinc/56/74/97/530567497.db2.gz ALAUWKMQVLHTOF-UHFFFAOYSA-N 1 2 379.507 1.662 40 0 GDABLO O=S(=O)(NC[C@H]1CO[C@@H]2C[N@H+](Cc3nccs3)C[C@H]12)c1ccccc1 ZINC000306142773 209107942 /nfs/dbraw/zinc/10/79/42/209107942.db2.gz XJFJNSOKJMKSLM-NUEKZKHPSA-N 1 2 379.507 1.568 40 0 GDABLO O=S(=O)(NC[C@H]1CO[C@@H]2C[N@@H+](Cc3nccs3)C[C@H]12)c1ccccc1 ZINC000306142773 209107945 /nfs/dbraw/zinc/10/79/45/209107945.db2.gz XJFJNSOKJMKSLM-NUEKZKHPSA-N 1 2 379.507 1.568 40 0 GDABLO Cn1cc[nH+]c1[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CC(=O)OC2(C)C)CC1 ZINC000019460446 207123588 /nfs/dbraw/zinc/12/35/88/207123588.db2.gz ZBRWEDXRFOXOLP-HKUYNNGSSA-N 1 2 396.491 1.995 40 0 GDABLO Cn1cc[nH+]c1[C@H](NC(=O)C1CN(S(=O)(=O)c2ccc(F)cc2)C1)C1CC1 ZINC000019747489 207157843 /nfs/dbraw/zinc/15/78/43/207157843.db2.gz MOEYYBBDSCJQJH-MRXNPFEDSA-N 1 2 392.456 1.447 40 0 GDABLO COc1cccc([C@@H]2NC3=[NH+]CN(CCO)CN3c3nc4ccccc4n32)c1 ZINC000019960426 207173667 /nfs/dbraw/zinc/17/36/67/207173667.db2.gz CMNMWVPMPAEXPU-GOSISDBHSA-N 1 2 378.436 1.580 40 0 GDABLO CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2[nH+]c(N3CCOCC3)nc(N)c21 ZINC000020635760 207209369 /nfs/dbraw/zinc/20/93/69/207209369.db2.gz PQWUBXRIBIYJKW-ZDUSSCGKSA-N 1 2 396.451 1.522 40 0 GDABLO O=[S@@]1c2ccccc2N=C(N2CC[NH+](CCOCCO)CC2)c2ccccc21 ZINC000021992966 207244825 /nfs/dbraw/zinc/24/48/25/207244825.db2.gz FXJNLPUSSHEDON-MUUNZHRXSA-N 1 2 399.516 1.872 40 0 in-vitro GDABLO c1cnc2ccc(Nc3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)cc2c1 ZINC000028218687 207336964 /nfs/dbraw/zinc/33/69/64/207336964.db2.gz CFYNQEQJXUIMPX-UHFFFAOYSA-N 1 2 393.451 1.837 40 0 GDABLO O=S(=O)(c1ccccc1)N1CCCn2nnc(C[NH+]3CCCCC3)c2C1 ZINC000096084740 208261130 /nfs/dbraw/zinc/26/11/30/208261130.db2.gz PFBJUORAUIMLBK-UHFFFAOYSA-N 1 2 375.498 1.859 40 0 GDABLO COCCN1CC[C@@]2(CN(C(=O)Cc3ccco3)C[C@H]2c2cn(C)c[nH+]2)C1=O ZINC000306133117 209102575 /nfs/dbraw/zinc/10/25/75/209102575.db2.gz MCQIEQGNNKQNPO-JXFKEZNVSA-N 1 2 386.452 1.047 40 0 GDABLO Cc1cc(C[N@@H+]2C[C@H]3OC[C@@H](CNS(=O)(=O)c4ccccc4)[C@H]3C2)no1 ZINC000306131336 209102034 /nfs/dbraw/zinc/10/20/34/209102034.db2.gz KCCSNJXNVYJTGE-ZTFGCOKTSA-N 1 2 377.466 1.408 40 0 GDABLO Cc1cc(C[N@H+]2C[C@H]3OC[C@@H](CNS(=O)(=O)c4ccccc4)[C@H]3C2)no1 ZINC000306131336 209102035 /nfs/dbraw/zinc/10/20/35/209102035.db2.gz KCCSNJXNVYJTGE-ZTFGCOKTSA-N 1 2 377.466 1.408 40 0 GDABLO C[N@@H+]1CC[C@H](COCc2ccccn2)CC12CN(S(=O)(=O)C(F)(F)F)C2 ZINC000306130099 209099447 /nfs/dbraw/zinc/09/94/47/209099447.db2.gz IWBLLXGHIMWOBY-ZDUSSCGKSA-N 1 2 393.431 1.844 40 0 GDABLO C[N@H+]1CC[C@H](COCc2ccccn2)CC12CN(S(=O)(=O)C(F)(F)F)C2 ZINC000306130099 209099450 /nfs/dbraw/zinc/09/94/50/209099450.db2.gz IWBLLXGHIMWOBY-ZDUSSCGKSA-N 1 2 393.431 1.844 40 0 GDABLO Cc1noc(C)c1CN1CC2(C1)C[N@H+](CC1CC1)[C@H](C(=O)NC(C)C)CO2 ZINC000247977345 209030074 /nfs/dbraw/zinc/03/00/74/209030074.db2.gz GEXOHTYEXCHEFK-SFHVURJKSA-N 1 2 376.501 1.481 40 0 GDABLO Cc1noc(C)c1CN1CC2(C1)C[N@@H+](CC1CC1)[C@H](C(=O)NC(C)C)CO2 ZINC000247977345 209030078 /nfs/dbraw/zinc/03/00/78/209030078.db2.gz GEXOHTYEXCHEFK-SFHVURJKSA-N 1 2 376.501 1.481 40 0 GDABLO CNc1nc([C@@H]2CCN(C(=O)CC3(O)CCCCC3)C2)nc2c1C[N@H+](C)CC2 ZINC000257272483 209063123 /nfs/dbraw/zinc/06/31/23/209063123.db2.gz NCOOINUXPWYGHM-OAHLLOKOSA-N 1 2 387.528 1.907 40 0 GDABLO CNc1nc([C@@H]2CCN(C(=O)CC3(O)CCCCC3)C2)nc2c1C[N@@H+](C)CC2 ZINC000257272483 209063128 /nfs/dbraw/zinc/06/31/28/209063128.db2.gz NCOOINUXPWYGHM-OAHLLOKOSA-N 1 2 387.528 1.907 40 0 GDABLO COCCN1C(=O)C[C@@H](C(=O)NCCNc2cccc[nH+]2)[C@@H]1c1ccccc1 ZINC000257299311 209070775 /nfs/dbraw/zinc/07/07/75/209070775.db2.gz RPMZOYATVHEZBB-XLIONFOSSA-N 1 2 382.464 1.846 40 0 GDABLO C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CN(C(=O)CCn3[nH]c(=O)ccc3=O)CC[C@H]21 ZINC000257298364 209071644 /nfs/dbraw/zinc/07/16/44/209071644.db2.gz RLJIVNGTGJNCIC-KZNAEPCWSA-N 1 2 382.464 1.285 40 0 GDABLO C[N@H+]1C[C@H](c2ccccc2)[C@H]2CN(C(=O)CCn3[nH]c(=O)ccc3=O)CC[C@H]21 ZINC000257298364 209071647 /nfs/dbraw/zinc/07/16/47/209071647.db2.gz RLJIVNGTGJNCIC-KZNAEPCWSA-N 1 2 382.464 1.285 40 0 GDABLO CNC(=O)[C@@H]1COC2(CN(C(=O)c3c[nH]c4ccccc34)C2)C[N@@H+]1CC1CC1 ZINC000575406784 570522734 /nfs/dbraw/zinc/52/27/34/570522734.db2.gz SSQFHHWWWWSLHI-SFHVURJKSA-N 1 2 382.464 1.219 40 0 GDABLO CNC(=O)[C@@H]1COC2(CN(C(=O)c3c[nH]c4ccccc34)C2)C[N@H+]1CC1CC1 ZINC000575406784 570522737 /nfs/dbraw/zinc/52/27/37/570522737.db2.gz SSQFHHWWWWSLHI-SFHVURJKSA-N 1 2 382.464 1.219 40 0 GDABLO c1coc(Cn2nnnc2CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000019342397 570925380 /nfs/dbraw/zinc/92/53/80/570925380.db2.gz YDBZGYKNMIGXAC-UHFFFAOYSA-N 1 2 382.424 1.361 40 0 GDABLO C[N@@H+]1CC[C@H](COCc2ccncc2)CC12CN(S(=O)(=O)C(F)(F)F)C2 ZINC000306143007 209109013 /nfs/dbraw/zinc/10/90/13/209109013.db2.gz XQPFOJCTHLPWDJ-AWEZNQCLSA-N 1 2 393.431 1.844 40 0 GDABLO C[N@H+]1CC[C@H](COCc2ccncc2)CC12CN(S(=O)(=O)C(F)(F)F)C2 ZINC000306143007 209109016 /nfs/dbraw/zinc/10/90/16/209109016.db2.gz XQPFOJCTHLPWDJ-AWEZNQCLSA-N 1 2 393.431 1.844 40 0 GDABLO Cc1ccc(NC(=O)[C@H](C)n2cc[nH+]c2)cc1S(=O)(=O)N1CCOCC1 ZINC000019214675 207107783 /nfs/dbraw/zinc/10/77/83/207107783.db2.gz UPITYIBIMCWJCZ-AWEZNQCLSA-N 1 2 378.454 1.412 40 0 GDABLO O=c1[nH]c(N2CCCC2)nc2c1CC[N@H+](Cc1ccnc(N3CCCC3)n1)C2 ZINC000019404059 207121819 /nfs/dbraw/zinc/12/18/19/207121819.db2.gz UFPWKMQNDSFNBY-UHFFFAOYSA-N 1 2 381.484 1.319 40 0 GDABLO O=c1[nH]c(N2CCCC2)nc2c1CC[N@@H+](Cc1ccnc(N3CCCC3)n1)C2 ZINC000019404059 207121820 /nfs/dbraw/zinc/12/18/20/207121820.db2.gz UFPWKMQNDSFNBY-UHFFFAOYSA-N 1 2 381.484 1.319 40 0 GDABLO Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)Nc3[nH+]c(N4CCOCC4)nc(N)c32)c1 ZINC000019819945 207164977 /nfs/dbraw/zinc/16/49/77/207164977.db2.gz QOZAASBHLOBOMY-ZDUSSCGKSA-N 1 2 396.451 1.577 40 0 GDABLO CCc1c(COC)nc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)[nH]c1=O ZINC000022448381 207253054 /nfs/dbraw/zinc/25/30/54/207253054.db2.gz CGQVCTYGCMHUEL-UHFFFAOYSA-N 1 2 386.452 1.530 40 0 GDABLO CNC(=O)[C@H]1COC2(CN(C(=O)c3cc(C)c(C)s3)C2)C[N@@H+]1CC1CC1 ZINC000251991292 209031336 /nfs/dbraw/zinc/03/13/36/209031336.db2.gz JCALFAZUVVXCDP-OAHLLOKOSA-N 1 2 377.510 1.416 40 0 GDABLO CNC(=O)[C@H]1COC2(CN(C(=O)c3cc(C)c(C)s3)C2)C[N@H+]1CC1CC1 ZINC000251991292 209031342 /nfs/dbraw/zinc/03/13/42/209031342.db2.gz JCALFAZUVVXCDP-OAHLLOKOSA-N 1 2 377.510 1.416 40 0 GDABLO Cc1nc2cc(CCC(=O)N(C)[C@@H]3CC[C@@H]([NH+]4CCOCC4)[C@@H]3O)ccc2[nH]1 ZINC000257245277 209060390 /nfs/dbraw/zinc/06/03/90/209060390.db2.gz IOUNODKZLUEZCX-SFHLNBCPSA-N 1 2 386.496 1.486 40 0 GDABLO CN(C)c1nc(N2CCOCC2)[nH+]c2c1CCN(C(=O)CC1CCCC1)CC2 ZINC000096254936 136185867 /nfs/dbraw/zinc/18/58/67/136185867.db2.gz YCWVHXVGNLGMKZ-UHFFFAOYSA-N 1 2 387.528 1.887 40 0 GDABLO Cc1[nH]c2ccc(CCC(=O)N3CC[C@H](O)[C@@H](NC(=O)C(C)C)CC3)cc2[nH+]1 ZINC000257320442 209074074 /nfs/dbraw/zinc/07/40/74/209074074.db2.gz VWVRAPPYWKDZRY-HKUYNNGSSA-N 1 2 386.496 1.928 40 0 GDABLO Cc1[nH]c2cc(CCC(=O)N3CC[C@H](O)[C@@H](NC(=O)C(C)C)CC3)ccc2[nH+]1 ZINC000257320442 209074077 /nfs/dbraw/zinc/07/40/77/209074077.db2.gz VWVRAPPYWKDZRY-HKUYNNGSSA-N 1 2 386.496 1.928 40 0 GDABLO Cc1ccc(C)c(NC(=O)C[N@@H+]2CC[C@@]3(CCCN3S(C)(=O)=O)[C@@H](O)C2)c1 ZINC000257332732 209077327 /nfs/dbraw/zinc/07/73/27/209077327.db2.gz XYLNNFZCMGNPAD-HKUYNNGSSA-N 1 2 395.525 1.103 40 0 GDABLO Cc1ccc(C)c(NC(=O)C[N@H+]2CC[C@@]3(CCCN3S(C)(=O)=O)[C@@H](O)C2)c1 ZINC000257332732 209077330 /nfs/dbraw/zinc/07/73/30/209077330.db2.gz XYLNNFZCMGNPAD-HKUYNNGSSA-N 1 2 395.525 1.103 40 0 GDABLO Cc1ccc(S(=O)(=O)NCCC[NH+]2CCOCC2)cc1C(=O)N1CCCC1 ZINC000408613156 534209298 /nfs/dbraw/zinc/20/92/98/534209298.db2.gz ZZZNNHTYBFOMQB-UHFFFAOYSA-N 1 2 395.525 1.232 40 0 GDABLO O[C@@H]1C[C@@H]2C[N@H+](Cc3cccnc3)CC3(CN(Cc4ccccc4F)C3)N2C1 ZINC000514290418 560029638 /nfs/dbraw/zinc/02/96/38/560029638.db2.gz YRTDFOPRXWXILV-WOJBJXKFSA-N 1 2 382.483 1.726 40 0 biogenic,in-vitro GDABLO O[C@@H]1C[C@@H]2C[N@@H+](Cc3cccnc3)CC3(CN(Cc4ccccc4F)C3)N2C1 ZINC000514290418 560029640 /nfs/dbraw/zinc/02/96/40/560029640.db2.gz YRTDFOPRXWXILV-WOJBJXKFSA-N 1 2 382.483 1.726 40 0 biogenic,in-vitro GDABLO COc1ccc(-c2noc([C@H](C)O)c2C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000225431309 560042943 /nfs/dbraw/zinc/04/29/43/560042943.db2.gz GZCRQSWFURRYFC-ZDUSSCGKSA-N 1 2 375.425 1.466 40 0 biogenic,in-vitro GDABLO CS(=O)(=O)c1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3[nH]cc[nH+]3)n2)cc1 ZINC000072321995 560076298 /nfs/dbraw/zinc/07/62/98/560076298.db2.gz OKQQHXQXCDBRHC-INIZCTEOSA-N 1 2 387.465 1.777 40 0 biogenic,in-vitro GDABLO CS(=O)(=O)N1CC[NH+]([C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)CC1 ZINC000585288895 570256755 /nfs/dbraw/zinc/25/67/55/570256755.db2.gz BOYOWCVWLGBBPX-GVDBMIGSSA-N 1 2 388.917 1.578 40 0 GDABLO c1nncn1N1C[NH+]=C2N[C@@H]([C@H]3CC=CCC3)n3c4ccccc4nc3N2C1 ZINC000020556151 570277679 /nfs/dbraw/zinc/27/76/79/570277679.db2.gz QYZDQCYZJMMBEB-WMLDXEAASA-N 1 2 375.440 1.815 40 0 GDABLO CCOC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2=O)CC1 ZINC000104346216 570301612 /nfs/dbraw/zinc/30/16/12/570301612.db2.gz QNBZJFBNKPCOIM-OAHLLOKOSA-N 1 2 388.420 1.365 40 0 GDABLO O=C(C[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1)NCc1ccco1 ZINC000072339660 570879970 /nfs/dbraw/zinc/87/99/70/570879970.db2.gz OAQWHLIJKRONJP-UHFFFAOYSA-N 1 2 397.431 1.822 40 0 GDABLO C[NH+]1CCN(C2=[NH+][C@@H](C(=O)Nc3ccccc3C(F)(F)F)C=C([O-])N2)CC1 ZINC000014606964 570893182 /nfs/dbraw/zinc/89/31/82/570893182.db2.gz WVCUQFOVSMUHEA-CYBMUJFWSA-N 1 2 383.374 1.136 40 0 GDABLO CCS(=O)(=O)NCC[C@H]1Cn2cccc2C[N@H+](Cc2cc(C)nn2C)C1 ZINC000585095594 570922122 /nfs/dbraw/zinc/92/21/22/570922122.db2.gz ZOTCHDMGJMAYFE-MRXNPFEDSA-N 1 2 379.530 1.491 40 0 GDABLO CCS(=O)(=O)NCC[C@H]1Cn2cccc2C[N@@H+](Cc2cc(C)nn2C)C1 ZINC000585095594 570922127 /nfs/dbraw/zinc/92/21/27/570922127.db2.gz ZOTCHDMGJMAYFE-MRXNPFEDSA-N 1 2 379.530 1.491 40 0 GDABLO CCC[C@@H](c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CC[NH+](C)CC1 ZINC000019501915 570927401 /nfs/dbraw/zinc/92/74/01/570927401.db2.gz NHDXVOTWGSSJRV-KRWDZBQOSA-N 1 2 392.529 1.502 40 0 GDABLO CC(=O)Nc1ccc(-c2c[nH+]c3n2CCN(C(=O)CN2CCOCC2)CC3)cc1 ZINC000585111123 570945104 /nfs/dbraw/zinc/94/51/04/570945104.db2.gz FJCCUSLPJZLDQC-UHFFFAOYSA-N 1 2 397.479 1.225 40 0 GDABLO C[C@@H](C(=O)N1CCN([C@H](c2nccn2C)c2ccccc2)CC1)[NH+]1CCOCC1 ZINC000019079071 207101333 /nfs/dbraw/zinc/10/13/33/207101333.db2.gz WHGWCCGGMBEOQR-ICSRJNTNSA-N 1 2 397.523 1.374 40 0 GDABLO COc1ccc2c(c1)c(C[NH+]1CCN(C[C@@H]3CCCO3)CC1)cn2CC(N)=O ZINC000019563250 207134841 /nfs/dbraw/zinc/13/48/41/207134841.db2.gz PAJUKFVOWIVAKX-SFHVURJKSA-N 1 2 386.496 1.432 40 0 GDABLO O=S1(=O)Cc2cnc(N3CCCC3)nc2[C@H]2C[N@H+](Cc3cccnc3)C[C@H]21 ZINC000096251946 208295226 /nfs/dbraw/zinc/29/52/26/208295226.db2.gz NWBZAGXOILMCDV-DLBZAZTESA-N 1 2 385.493 1.368 40 0 GDABLO O=S1(=O)Cc2cnc(N3CCCC3)nc2[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]21 ZINC000096251946 208295232 /nfs/dbraw/zinc/29/52/32/208295232.db2.gz NWBZAGXOILMCDV-DLBZAZTESA-N 1 2 385.493 1.368 40 0 GDABLO Cn1cc(C[N@H+]2C[C@H]3[C@H](C2)c2cc(-c4cnn(C)c4)ccc2S3(=O)=O)cn1 ZINC000306135352 209103964 /nfs/dbraw/zinc/10/39/64/209103964.db2.gz OODUHMRIZZGKQM-MJGOQNOKSA-N 1 2 383.477 1.576 40 0 GDABLO Cn1cc(C[N@@H+]2C[C@H]3[C@H](C2)c2cc(-c4cnn(C)c4)ccc2S3(=O)=O)cn1 ZINC000306135352 209103967 /nfs/dbraw/zinc/10/39/67/209103967.db2.gz OODUHMRIZZGKQM-MJGOQNOKSA-N 1 2 383.477 1.576 40 0 GDABLO Cc1cc(C[N@@H+]2C[C@H]3OC[C@H](CNS(=O)(=O)c4ccccc4)[C@H]3C2)no1 ZINC000306131335 209100939 /nfs/dbraw/zinc/10/09/39/209100939.db2.gz KCCSNJXNVYJTGE-BMGDILEWSA-N 1 2 377.466 1.408 40 0 GDABLO Cc1cc(C[N@H+]2C[C@H]3OC[C@H](CNS(=O)(=O)c4ccccc4)[C@H]3C2)no1 ZINC000306131335 209100941 /nfs/dbraw/zinc/10/09/41/209100941.db2.gz KCCSNJXNVYJTGE-BMGDILEWSA-N 1 2 377.466 1.408 40 0 GDABLO CNc1nc([C@@H]2CCN(S(=O)(=O)c3ccccc3)C2)nc2c1C[N@H+](C)CC2 ZINC000257220260 209057637 /nfs/dbraw/zinc/05/76/37/209057637.db2.gz DKFBZQQEGXQCNF-CQSZACIVSA-N 1 2 387.509 1.684 40 0 GDABLO CNc1nc([C@@H]2CCN(S(=O)(=O)c3ccccc3)C2)nc2c1C[N@@H+](C)CC2 ZINC000257220260 209057642 /nfs/dbraw/zinc/05/76/42/209057642.db2.gz DKFBZQQEGXQCNF-CQSZACIVSA-N 1 2 387.509 1.684 40 0 GDABLO CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1C[N@H+](Cc1ncc[nH]1)CC2 ZINC000257308491 209073243 /nfs/dbraw/zinc/07/32/43/209073243.db2.gz TWWXXLSXYNEPLK-HMXCVIKNSA-N 1 2 381.480 1.710 40 0 GDABLO CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1C[N@@H+](Cc1ncc[nH]1)CC2 ZINC000257308491 209073246 /nfs/dbraw/zinc/07/32/46/209073246.db2.gz TWWXXLSXYNEPLK-HMXCVIKNSA-N 1 2 381.480 1.710 40 0 GDABLO CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000222983058 570434797 /nfs/dbraw/zinc/43/47/97/570434797.db2.gz UXTBDMQINICYKW-QGZVFWFLSA-N 1 2 391.512 1.661 40 0 GDABLO C[C@@H]1OC[C@@H](O)[C@H]([C@H](O)C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)O1 ZINC000005496233 570442608 /nfs/dbraw/zinc/44/26/08/570442608.db2.gz NIBVLQIHAJKBNW-XUFNMVPLSA-N 1 2 385.460 1.741 40 0 GDABLO O=S(=O)(c1ccc(CNC(=S)Nc2cc[nH+]cc2)cc1)N1CCOCC1 ZINC000225217536 570557116 /nfs/dbraw/zinc/55/71/16/570557116.db2.gz GVFDAEOYIGMYHG-UHFFFAOYSA-N 1 2 392.506 1.589 40 0 GDABLO C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCn1cc[nH+]c1 ZINC000225782704 570616790 /nfs/dbraw/zinc/61/67/90/570616790.db2.gz MUUMWIMXFDCBEM-AWEZNQCLSA-N 1 2 380.470 1.253 40 0 GDABLO CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000013633413 570764679 /nfs/dbraw/zinc/76/46/79/570764679.db2.gz BOKKEYSRXDAWDM-UHFFFAOYSA-N 1 2 394.497 1.499 40 0 GDABLO COC(=O)[C@]1(Cc2ccccc2)[NH2+][C@H](c2ccc(O)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000012495076 570807580 /nfs/dbraw/zinc/80/75/80/570807580.db2.gz UMUQOMBAHXGJOJ-KCXPTXFHSA-N 1 2 394.427 1.422 40 0 GDABLO CC(=O)c1cccc(Nc2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)c1 ZINC000004329660 570820955 /nfs/dbraw/zinc/82/09/55/570820955.db2.gz YGECAWLWQBVMCI-UHFFFAOYSA-N 1 2 384.440 1.491 40 0 GDABLO O=C(C[NH2+][C@@H]1C=CS(=O)(=O)C1)N1CCC[C@@H](c2cc3ccccc3cn2)C1 ZINC000072341206 570881052 /nfs/dbraw/zinc/88/10/52/570881052.db2.gz IIEMQXAGQMSFRJ-QZTJIDSGSA-N 1 2 385.489 1.841 40 0 GDABLO COc1ccc(CNC(=O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000019555735 570927817 /nfs/dbraw/zinc/92/78/17/570927817.db2.gz XBQURNYVKNJLFB-UHFFFAOYSA-N 1 2 397.475 1.858 40 0 GDABLO Cc1cc(C)nc(N2CCC[C@]3(CC(C(=O)NCCCn4cc[nH+]c4)=NO3)C2)n1 ZINC000585101074 570929180 /nfs/dbraw/zinc/92/91/80/570929180.db2.gz BGHGKCVHTWBGNZ-FQEVSTJZSA-N 1 2 397.483 1.612 40 0 GDABLO COc1ccc([C@@H](CNC(=O)NC[C@@H]2CCS(=O)(=O)C2)[NH+]2CCCC2)cc1 ZINC000045654628 570962340 /nfs/dbraw/zinc/96/23/40/570962340.db2.gz JJVYKGXONHXQKY-MAUKXSAKSA-N 1 2 395.525 1.566 40 0 GDABLO COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000014427390 207020878 /nfs/dbraw/zinc/02/08/78/207020878.db2.gz XLOHJWXFFCIGND-UHFFFAOYSA-N 1 2 389.477 1.884 40 0 GDABLO CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CC(=O)N1CC[NH+](Cc3ccccn3)CC1)C2=O ZINC000019460809 207124016 /nfs/dbraw/zinc/12/40/16/207124016.db2.gz QFQZCEPAMLAZFE-VGSWGCGISA-N 1 2 398.507 1.537 40 0 GDABLO CC(C)OCC[NH+]1CCN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)CC1 ZINC000019450458 207122022 /nfs/dbraw/zinc/12/20/22/207122022.db2.gz LKRRPOLENXDPJO-UHFFFAOYSA-N 1 2 380.466 1.524 40 0 GDABLO COc1cccc(NC(=O)C[NH+]2CCC(Nc3nc4c(c(=O)[nH]3)CCC4)CC2)c1 ZINC000019565873 207135601 /nfs/dbraw/zinc/13/56/01/207135601.db2.gz FKMJMNAFHBOESC-UHFFFAOYSA-N 1 2 397.479 1.782 40 0 GDABLO Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)Nc3[nH+]c(N4CCOCC4)nc(N)c32)c1 ZINC000019819943 207164096 /nfs/dbraw/zinc/16/40/96/207164096.db2.gz QOZAASBHLOBOMY-CYBMUJFWSA-N 1 2 396.451 1.577 40 0 GDABLO Nc1nc(N2CCOCC2)[nH+]c2c1[C@@H](C(=O)Nc1cccc(F)c1)CC(=O)N2 ZINC000019819933 207165360 /nfs/dbraw/zinc/16/53/60/207165360.db2.gz BUEDFEMBXSTDBD-LBPRGKRZSA-N 1 2 386.387 1.099 40 0 GDABLO COc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1S(N)(=O)=O ZINC000029674536 207364263 /nfs/dbraw/zinc/36/42/63/207364263.db2.gz QRUJTEJESHBNJN-UHFFFAOYSA-N 1 2 389.477 1.301 40 0 GDABLO Cc1nc(CN2C[C@@H]3ON=C(N4CC[NH+](Cc5ccccn5)CC4)[C@H]3C2)cs1 ZINC000306135576 209104256 /nfs/dbraw/zinc/10/42/56/209104256.db2.gz OVBUVBAXFWXYCG-OALUTQOASA-N 1 2 398.536 1.808 40 0 GDABLO COc1ccc(N(CCCC(=O)NCCCn2cc[nH+]c2)S(C)(=O)=O)cc1 ZINC000225110719 208941280 /nfs/dbraw/zinc/94/12/80/208941280.db2.gz JCJUKMFBPQROIS-UHFFFAOYSA-N 1 2 394.497 1.644 40 0 GDABLO Cn1c[nH+]c([C@@H]2CN(C(=O)c3ccn(C)n3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306127777 209096810 /nfs/dbraw/zinc/09/68/10/209096810.db2.gz GHLKCRSXQJERJI-MGPUTAFESA-N 1 2 382.468 1.022 40 0 GDABLO CS(=O)(=O)c1ccc(C[N@@H+]2C[C@H]3OC[C@H](CN4CCCC4=O)[C@H]3C2)cc1 ZINC000247502558 209025673 /nfs/dbraw/zinc/02/56/73/209025673.db2.gz FYNQLNCJAZTLCU-CGTJXYLNSA-N 1 2 378.494 1.159 40 0 GDABLO CS(=O)(=O)c1ccc(C[N@H+]2C[C@H]3OC[C@H](CN4CCCC4=O)[C@H]3C2)cc1 ZINC000247502558 209025677 /nfs/dbraw/zinc/02/56/77/209025677.db2.gz FYNQLNCJAZTLCU-CGTJXYLNSA-N 1 2 378.494 1.159 40 0 GDABLO Cc1[nH+]cc(-c2cc(C)nc([C@@H]3CCCCN3S(=O)(=O)N(C)C)n2)n1C ZINC000257215099 209058373 /nfs/dbraw/zinc/05/83/73/209058373.db2.gz CORSETKMMHKSGW-HNNXBMFYSA-N 1 2 378.502 1.827 40 0 GDABLO CC(=O)OCC1CCN(c2ncccc2C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000057762010 136153985 /nfs/dbraw/zinc/15/39/85/136153985.db2.gz OZXAMQXWPABSLF-UHFFFAOYSA-N 1 2 385.468 1.878 40 0 GDABLO CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1 ZINC000408600394 527712683 /nfs/dbraw/zinc/71/26/83/527712683.db2.gz ANQKPZIDIMUMRI-HNNXBMFYSA-N 1 2 394.497 1.544 40 0 GDABLO CCC(=O)Nc1cc(S(=O)(=O)NCCC[NH+]2CCOCC2)ccc1OC ZINC000408696464 528424600 /nfs/dbraw/zinc/42/46/00/528424600.db2.gz BPMVSIMAIDPIAE-UHFFFAOYSA-N 1 2 385.486 1.044 40 0 GDABLO CC(C)C(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3[nH+]ccn3C)[C@@H]2CO)cc1 ZINC000072321491 560076409 /nfs/dbraw/zinc/07/64/09/560076409.db2.gz JOJVMLPLVNNOFQ-VQIMIIECSA-N 1 2 386.452 1.476 40 0 biogenic,in-vitro GDABLO OCc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc4c(c3)OCO4)no2)o1 ZINC000015674980 560095171 /nfs/dbraw/zinc/09/51/71/560095171.db2.gz HVCIBLDTNYTMPP-DOMZBBRYSA-N 1 2 385.376 1.859 40 0 biogenic,in-vitro GDABLO OCc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc4c(c3)OCO4)no2)o1 ZINC000015674980 560095172 /nfs/dbraw/zinc/09/51/72/560095172.db2.gz HVCIBLDTNYTMPP-DOMZBBRYSA-N 1 2 385.376 1.859 40 0 biogenic,in-vitro GDABLO COCC(=O)N1Cc2c([nH+]cn2Cc2ccc(Cl)cc2)C[C@H]1C(=O)OC ZINC000015676476 560095629 /nfs/dbraw/zinc/09/56/29/560095629.db2.gz VUGDXRZDCVSVCX-HNNXBMFYSA-N 1 2 377.828 1.658 40 0 biogenic,in-vitro GDABLO CC(C)c1ccc(S(=O)(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000575421968 570308005 /nfs/dbraw/zinc/30/80/05/570308005.db2.gz JYQUPBXUWAXRFI-MRXNPFEDSA-N 1 2 388.555 1.549 40 0 GDABLO O=S1(=O)CC[C@H]([N@H+](C[C@@H](O)CO)C(c2ccccc2)c2ccccc2)C1 ZINC000575422904 570309300 /nfs/dbraw/zinc/30/93/00/570309300.db2.gz XMZHZHXGZDNHJQ-RBUKOAKNSA-N 1 2 375.490 1.618 40 0 GDABLO O=S1(=O)CC[C@H]([N@@H+](C[C@@H](O)CO)C(c2ccccc2)c2ccccc2)C1 ZINC000575422904 570309301 /nfs/dbraw/zinc/30/93/01/570309301.db2.gz XMZHZHXGZDNHJQ-RBUKOAKNSA-N 1 2 375.490 1.618 40 0 GDABLO CNC(=O)[C@@H]1COC2(CN(C(=O)c3cn(C)c4ccccc34)C2)C[N@@H+]1CC1CC1 ZINC000575406270 570522253 /nfs/dbraw/zinc/52/22/53/570522253.db2.gz YWTUXBDLGIQFKZ-IBGZPJMESA-N 1 2 396.491 1.230 40 0 GDABLO CNC(=O)[C@@H]1COC2(CN(C(=O)c3cn(C)c4ccccc34)C2)C[N@H+]1CC1CC1 ZINC000575406270 570522256 /nfs/dbraw/zinc/52/22/56/570522256.db2.gz YWTUXBDLGIQFKZ-IBGZPJMESA-N 1 2 396.491 1.230 40 0 GDABLO CC(C)n1cnc2cc(C(=O)N[C@@H]3CCC[C@@H]([N@@H+]4CCNC(=O)C4)[C@@H]3O)ccc21 ZINC000257239816 570767806 /nfs/dbraw/zinc/76/78/06/570767806.db2.gz HQXPDYQJNRFYCM-XFQXTVEOSA-N 1 2 399.495 1.061 40 0 GDABLO CC(C)n1cnc2cc(C(=O)N[C@@H]3CCC[C@@H]([N@H+]4CCNC(=O)C4)[C@@H]3O)ccc21 ZINC000257239816 570767813 /nfs/dbraw/zinc/76/78/13/570767813.db2.gz HQXPDYQJNRFYCM-XFQXTVEOSA-N 1 2 399.495 1.061 40 0 GDABLO Cc1nc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2nccn2C)C3)sc1C ZINC000072334606 570879549 /nfs/dbraw/zinc/87/95/49/570879549.db2.gz RATCREGFFWVTOB-UUVAVEHKSA-N 1 2 375.498 1.947 40 0 GDABLO Cc1nc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2nccn2C)C3)sc1C ZINC000072334606 570879553 /nfs/dbraw/zinc/87/95/53/570879553.db2.gz RATCREGFFWVTOB-UUVAVEHKSA-N 1 2 375.498 1.947 40 0 GDABLO CN1c2ncccc2C(=O)N[C@H]1c1ccc(NC(=O)C[NH+]2CCSCC2)cc1 ZINC000072341147 570881103 /nfs/dbraw/zinc/88/11/03/570881103.db2.gz ORULWDREBXRLDG-GOSISDBHSA-N 1 2 397.504 1.947 40 0 GDABLO CC[C@@H](c1nnnn1CCOC)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019500638 570926729 /nfs/dbraw/zinc/92/67/29/570926729.db2.gz HXNBDSQPXBJFLI-INIZCTEOSA-N 1 2 388.472 1.317 40 0 GDABLO CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCCCn2cc[nH+]c2)cc1C ZINC000016692223 207076386 /nfs/dbraw/zinc/07/63/86/207076386.db2.gz WDPNIOSPASLKCG-UHFFFAOYSA-N 1 2 394.497 1.417 40 0 GDABLO CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CC(=O)N1CC[NH+](Cc3ccccn3)CC1)C2=O ZINC000019460811 207123229 /nfs/dbraw/zinc/12/32/29/207123229.db2.gz QFQZCEPAMLAZFE-HTAPYJJXSA-N 1 2 398.507 1.537 40 0 GDABLO COc1ccc(S(=O)(=O)N2CCc3nnc([C@H]4CCC[N@@H+]4C)n3CC2)cc1 ZINC000019706496 207149752 /nfs/dbraw/zinc/14/97/52/207149752.db2.gz KCLWKTRBQJSOPV-MRXNPFEDSA-N 1 2 391.497 1.300 40 0 GDABLO COc1ccc(S(=O)(=O)N2CCc3nnc([C@H]4CCC[N@H+]4C)n3CC2)cc1 ZINC000019706496 207149755 /nfs/dbraw/zinc/14/97/55/207149755.db2.gz KCLWKTRBQJSOPV-MRXNPFEDSA-N 1 2 391.497 1.300 40 0 GDABLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(=O)n(CC(=O)N2CCCCC2)c1)C1CC1 ZINC000019749255 207158713 /nfs/dbraw/zinc/15/87/13/207158713.db2.gz QFODZBAJCZZOBQ-IBGZPJMESA-N 1 2 397.479 1.475 40 0 GDABLO O=C1C[C@H](c2cc(F)cc(F)c2)Cc2nc(N3CC[NH+](CCO)CC3)ncc21 ZINC000020672966 207209803 /nfs/dbraw/zinc/20/98/03/207209803.db2.gz XQZBXLGYSUVVJU-CQSZACIVSA-N 1 2 388.418 1.782 40 0 GDABLO CN(C)c1nc(N2CCOCC2)[nH+]c2c1CN(C(=O)Cc1ccsc1)CC2 ZINC000096254016 136185862 /nfs/dbraw/zinc/18/58/62/136185862.db2.gz CPWDEHJFMUHHBY-UHFFFAOYSA-N 1 2 387.509 1.568 40 0 GDABLO Cc1cc(=O)[nH]c(NC2CC[NH+](CC(=O)Nc3ccc4c(c3)OCO4)CC2)n1 ZINC000072341843 222232120 /nfs/dbraw/zinc/23/21/20/222232120.db2.gz YLQGFGRUXXZDBZ-UHFFFAOYSA-N 1 2 385.424 1.322 40 0 GDABLO CS(=O)(=O)N(CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1 ZINC000223079954 570442138 /nfs/dbraw/zinc/44/21/38/570442138.db2.gz GGTUQSRDYXMRMS-UHFFFAOYSA-N 1 2 398.488 1.950 40 0 GDABLO Cn1cccc1/C=C(/NC(=O)c1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000026440108 570463230 /nfs/dbraw/zinc/46/32/30/570463230.db2.gz ITPGUZBOLXMESS-KNTRCKAVSA-N 1 2 382.464 1.244 40 0 GDABLO CCn1cc(S(=O)(=O)N2CC[NH+](C[C@H]3Cc4ccccc4O3)CC2)c(C)n1 ZINC000036741444 570569449 /nfs/dbraw/zinc/56/94/49/570569449.db2.gz YYMWQIQFQJGAOK-QGZVFWFLSA-N 1 2 390.509 1.521 40 0 GDABLO CCN1[NH+]=C(C)[C@@H](C)n2c3c(nc21)n(C)c(=O)n(Cc1ccccc1F)c3=O ZINC000010363980 570570084 /nfs/dbraw/zinc/57/00/84/570570084.db2.gz OMRRWUPUROPRNX-GFCCVEGCSA-N 1 2 384.415 1.861 40 0 GDABLO Cc1cc(N2CCC[C@@H](C)C2)nc(NC(=S)NCC[NH+]2CCOCC2)n1 ZINC000225905182 570632202 /nfs/dbraw/zinc/63/22/02/570632202.db2.gz ZPXSFNLERLYBDA-CQSZACIVSA-N 1 2 378.546 1.640 40 0 GDABLO Cn1c(COCC(=O)N[C@@H]2CCC[C@@H](n3cc[nH+]c3)[C@@H]2O)nc2ccccc21 ZINC000257224902 570763621 /nfs/dbraw/zinc/76/36/21/570763621.db2.gz FDWHBANLSHJMAB-WRWLIDTKSA-N 1 2 383.452 1.557 40 0 GDABLO COc1cc(NC(=O)[C@H]2CC(=O)Nc3[nH+]c(N)nc(N)c32)c(OC)cc1Cl ZINC000010339055 570789772 /nfs/dbraw/zinc/78/97/72/570789772.db2.gz MUPOMDVSDMTSEP-LURJTMIESA-N 1 2 392.803 1.376 40 0 GDABLO O=C(NCCc1cccs1)[C@@H]1CN(C(=O)c2cnccn2)Cc2c[nH+]cn21 ZINC000585096134 570922823 /nfs/dbraw/zinc/92/28/23/570922823.db2.gz UEGQIWNBZNEZRH-INIZCTEOSA-N 1 2 382.449 1.291 40 0 GDABLO CCn1cc(S(=O)(=O)N2C[C@@H](C[NH+]3CCOCC3)c3ccccc32)c(C)n1 ZINC000019524620 207129487 /nfs/dbraw/zinc/12/94/87/207129487.db2.gz KPVRIOUBGIDOGX-MRXNPFEDSA-N 1 2 390.509 1.836 40 0 GDABLO COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H]1c1nnc2n1CC[NH2+]C2 ZINC000019705501 207150717 /nfs/dbraw/zinc/15/07/17/207150717.db2.gz CTBNNKOZHIZUDP-LBPRGKRZSA-N 1 2 381.433 1.055 40 0 GDABLO O=c1[nH]c2cc(S(=O)(=O)N3CCC[N@H+](Cc4ccccn4)CC3)ccc2o1 ZINC000019716052 207153559 /nfs/dbraw/zinc/15/35/59/207153559.db2.gz HWPPNTKAECPVNS-UHFFFAOYSA-N 1 2 388.449 1.825 40 0 GDABLO O=c1[nH]c2cc(S(=O)(=O)N3CCC[N@@H+](Cc4ccccn4)CC3)ccc2o1 ZINC000019716052 207153564 /nfs/dbraw/zinc/15/35/64/207153564.db2.gz HWPPNTKAECPVNS-UHFFFAOYSA-N 1 2 388.449 1.825 40 0 GDABLO CCN1CC[C@]2(CN(C(C)=O)CC23CC[NH+](Cc2nccs2)CC3)C1=O ZINC000096036494 208254486 /nfs/dbraw/zinc/25/44/86/208254486.db2.gz NQABQXPJZVBZDA-IBGZPJMESA-N 1 2 376.526 1.826 40 0 GDABLO COc1cccc(C[N@H+]2Cc3ccnn3C[C@@H](CCNS(C)(=O)=O)C2)c1 ZINC000247878426 209026430 /nfs/dbraw/zinc/02/64/30/209026430.db2.gz HYXXJDQJNXVDOH-INIZCTEOSA-N 1 2 378.498 1.463 40 0 GDABLO COc1cccc(C[N@@H+]2Cc3ccnn3C[C@@H](CCNS(C)(=O)=O)C2)c1 ZINC000247878426 209026432 /nfs/dbraw/zinc/02/64/32/209026432.db2.gz HYXXJDQJNXVDOH-INIZCTEOSA-N 1 2 378.498 1.463 40 0 GDABLO CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1CC[N@@H+](Cc1nccn1C)C2 ZINC000257249506 209058904 /nfs/dbraw/zinc/05/89/04/209058904.db2.gz JIROWGZSLPRKAS-CEMLEFRQSA-N 1 2 395.507 1.720 40 0 GDABLO CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1CC[N@H+](Cc1nccn1C)C2 ZINC000257249506 209058917 /nfs/dbraw/zinc/05/89/17/209058917.db2.gz JIROWGZSLPRKAS-CEMLEFRQSA-N 1 2 395.507 1.720 40 0 GDABLO CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1CCN(Cc1[nH+]ccn1C)C2 ZINC000257249506 209058919 /nfs/dbraw/zinc/05/89/19/209058919.db2.gz JIROWGZSLPRKAS-CEMLEFRQSA-N 1 2 395.507 1.720 40 0 GDABLO CC(=O)N1CCN(C(=O)CCn2cc[nH+]c2-c2ccccc2)C[C@H]1C(=O)N(C)C ZINC000257265116 209064421 /nfs/dbraw/zinc/06/44/21/209064421.db2.gz LXJUHNHHCUVKTD-SFHVURJKSA-N 1 2 397.479 1.088 40 0 GDABLO CN(C)c1nc2c(c(N3CCC[C@H](C(N)=O)C3)n1)C[N@H+](Cc1ccccc1)CC2 ZINC000072347601 136169048 /nfs/dbraw/zinc/16/90/48/136169048.db2.gz HAZDZHLXXANMFB-KRWDZBQOSA-N 1 2 394.523 1.803 40 0 GDABLO CN(C)c1nc2c(c(N3CCC[C@H](C(N)=O)C3)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC000072347601 136169049 /nfs/dbraw/zinc/16/90/49/136169049.db2.gz HAZDZHLXXANMFB-KRWDZBQOSA-N 1 2 394.523 1.803 40 0 GDABLO COCC[N@@H+]1C[C@@H]2c3nc(N4CCC[C@H](C)C4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC000096252000 136185730 /nfs/dbraw/zinc/18/57/30/136185730.db2.gz JBKKWLJTNCXEAB-CWRNSKLLSA-N 1 2 380.514 1.056 40 0 GDABLO COCC[N@H+]1C[C@@H]2c3nc(N4CCC[C@H](C)C4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC000096252000 136185731 /nfs/dbraw/zinc/18/57/31/136185731.db2.gz JBKKWLJTNCXEAB-CWRNSKLLSA-N 1 2 380.514 1.056 40 0 GDABLO COc1ccc(C(=O)Nc2c[nH+]c(N3CCOCC3)nc2N(C)C)cc1OC ZINC000224358577 136206976 /nfs/dbraw/zinc/20/69/76/136206976.db2.gz MQCMRXUCHDFSHB-UHFFFAOYSA-N 1 2 387.440 1.649 40 0 GDABLO Cc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(C[NH+](Cc4ccccc4)C3)C2=O)o1 ZINC000225396972 560043609 /nfs/dbraw/zinc/04/36/09/560043609.db2.gz FUHQKPXLRFJYLG-MJGOQNOKSA-N 1 2 395.459 1.147 40 0 biogenic,in-vitro GDABLO Cc1c(N2C[C@@H]([NH3+])C3(CC3)C2)c(F)c(N)c2c1n(C1CC1)cc(C(=O)O)c2=O ZINC000003811114 570351129 /nfs/dbraw/zinc/35/11/29/570351129.db2.gz LEILBPMISZFZQK-GFCCVEGCSA-N 1 2 386.427 1.992 40 0 in-man GDABLO C[C@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1[nH+]ccn1C ZINC000685939008 570398432 /nfs/dbraw/zinc/39/84/32/570398432.db2.gz WLNXICNZUWKNOB-ZDUSSCGKSA-N 1 2 392.485 1.872 40 0 GDABLO COCc1nn2c(nnc(C(=O)N3CC[NH+](C)CC3)c2C)c1-c1ccccc1 ZINC000039963891 570593858 /nfs/dbraw/zinc/59/38/58/570593858.db2.gz CWPYFNPPOGQPGI-UHFFFAOYSA-N 1 2 380.452 1.634 40 0 GDABLO CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000044902528 570640884 /nfs/dbraw/zinc/64/08/84/570640884.db2.gz YWYRGXPHRYHRHB-MRXNPFEDSA-N 1 2 391.497 1.007 40 0 GDABLO COc1cc(N2CCCC[C@H]2C)nc(NC(=S)NCC[NH+]2CCOCC2)n1 ZINC000260735407 570701629 /nfs/dbraw/zinc/70/16/29/570701629.db2.gz HRCQAQJQVOZJEZ-CQSZACIVSA-N 1 2 394.545 1.483 40 0 GDABLO CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000013633235 570764692 /nfs/dbraw/zinc/76/46/92/570764692.db2.gz WUDQVSDYNSAMII-UHFFFAOYSA-N 1 2 380.470 1.109 40 0 GDABLO Cc1ccc(N([C@@H](C)C(=O)NCCCn2cc[nH+]c2)S(C)(=O)=O)cc1C ZINC000408615841 231081191 /nfs/dbraw/zinc/08/11/91/231081191.db2.gz SWSHWXZWZJQMKX-INIZCTEOSA-N 1 2 378.498 1.861 40 0 GDABLO CSc1ccc(S(=O)(=O)N(C)CC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000224971541 531030033 /nfs/dbraw/zinc/03/00/33/531030033.db2.gz IHAGEJXLEVCZBA-UHFFFAOYSA-N 1 2 382.511 1.432 40 0 GDABLO CCOC(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2Br)CC1 ZINC000026781814 206253178 /nfs/dbraw/zinc/25/31/78/206253178.db2.gz JJFORZWYQQFNKV-CYBMUJFWSA-N 1 2 387.274 1.963 40 0 GDABLO O=C(NCc1cccs1)c1nnc2n1CCN1CC[N@@H+](Cc3ccoc3)C[C@@H]21 ZINC000306139720 209106817 /nfs/dbraw/zinc/10/68/17/209106817.db2.gz TYKXNXKKTIEZLO-INIZCTEOSA-N 1 2 398.492 1.735 40 0 GDABLO O=C(NCc1cccs1)c1nnc2n1CCN1CC[N@H+](Cc3ccoc3)C[C@@H]21 ZINC000306139720 209106822 /nfs/dbraw/zinc/10/68/22/209106822.db2.gz TYKXNXKKTIEZLO-INIZCTEOSA-N 1 2 398.492 1.735 40 0 GDABLO C[C@@H]1C[N@@H+](CC(=O)N2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C[C@H](C)O1 ZINC000019497397 207124658 /nfs/dbraw/zinc/12/46/58/207124658.db2.gz PKHAOTGNSOBFIY-BBWFWOEESA-N 1 2 388.512 1.395 40 0 GDABLO C[C@@H]1C[N@H+](CC(=O)N2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C[C@H](C)O1 ZINC000019497397 207124661 /nfs/dbraw/zinc/12/46/61/207124661.db2.gz PKHAOTGNSOBFIY-BBWFWOEESA-N 1 2 388.512 1.395 40 0 GDABLO C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CC[NH+](Cc3ccccn3)CC1)C2=O ZINC000019496103 207125302 /nfs/dbraw/zinc/12/53/02/207125302.db2.gz GBMCSNFGXLJZMM-HRAATJIYSA-N 1 2 399.495 1.227 40 0 GDABLO CCn1ccnc1C[N@H+](C)Cc1ccc([C@H]2CN(C(C)=O)C[C@@H]2C(N)=O)cc1 ZINC000019699035 207149108 /nfs/dbraw/zinc/14/91/08/207149108.db2.gz HYHGQRMLUOLZAG-MOPGFXCFSA-N 1 2 383.496 1.582 40 0 GDABLO CCn1ccnc1C[N@@H+](C)Cc1ccc([C@H]2CN(C(C)=O)C[C@@H]2C(N)=O)cc1 ZINC000019699035 207149113 /nfs/dbraw/zinc/14/91/13/207149113.db2.gz HYHGQRMLUOLZAG-MOPGFXCFSA-N 1 2 383.496 1.582 40 0 GDABLO O=C(C[NH+]1CCC(Oc2cnccn2)CC1)Nc1ccccc1N1CCOCC1 ZINC000019659140 207145868 /nfs/dbraw/zinc/14/58/68/207145868.db2.gz QNUZYJGRAZHTGK-UHFFFAOYSA-N 1 2 397.479 1.795 40 0 GDABLO Nc1nc(N2CCOCC2)[nH+]c2c1[C@H](C(=O)Nc1cccc(F)c1)CC(=O)N2 ZINC000019819931 207165255 /nfs/dbraw/zinc/16/52/55/207165255.db2.gz BUEDFEMBXSTDBD-GFCCVEGCSA-N 1 2 386.387 1.099 40 0 GDABLO COc1ccccc1NC(=O)[C@H]1CC(=O)Nc2[nH+]c(N3CCCC3)nc(N)c21 ZINC000020635806 207208378 /nfs/dbraw/zinc/20/83/78/207208378.db2.gz CZHIYNBKUSQXMQ-NSHDSACASA-N 1 2 382.424 1.732 40 0 GDABLO Cc1cccc(NC(=O)[C@H]2CC(=O)Nc3[nH+]c(N4CCOCC4)nc(N)c32)c1 ZINC000020674116 207209935 /nfs/dbraw/zinc/20/99/35/207209935.db2.gz CXXOZLVDHLOOTA-ZDUSSCGKSA-N 1 2 382.424 1.268 40 0 GDABLO COCC(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C(C)C)CC4)C1 ZINC000072398806 208013624 /nfs/dbraw/zinc/01/36/24/208013624.db2.gz ZWKPGSIWCKXEBL-CQSZACIVSA-N 1 2 387.484 1.554 40 0 GDABLO COCC(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C(C)C)CC4)C1 ZINC000072398806 208013630 /nfs/dbraw/zinc/01/36/30/208013630.db2.gz ZWKPGSIWCKXEBL-CQSZACIVSA-N 1 2 387.484 1.554 40 0 GDABLO COC(=O)c1ccc2[nH]c(CO[C@H]3C[N@H+](Cc4cnn(C)c4)C[C@H]3F)nc2c1 ZINC000096112392 209009069 /nfs/dbraw/zinc/00/90/69/209009069.db2.gz YNEGOLUDCPWPHL-PBHICJAKSA-N 1 2 387.415 1.822 40 0 biogenic,in-vitro GDABLO COC(=O)c1ccc2[nH]c(CO[C@H]3C[N@@H+](Cc4cnn(C)c4)C[C@H]3F)nc2c1 ZINC000096112392 209009074 /nfs/dbraw/zinc/00/90/74/209009074.db2.gz YNEGOLUDCPWPHL-PBHICJAKSA-N 1 2 387.415 1.822 40 0 biogenic,in-vitro GDABLO CCS(=O)(=O)CCN1Cc2c[nH+]cn2[C@@H](COCc2cccc(C)n2)C1 ZINC000247854440 209025628 /nfs/dbraw/zinc/02/56/28/209025628.db2.gz CCJXDHNMNFWKBX-GOSISDBHSA-N 1 2 378.498 1.595 40 0 GDABLO Cc1noc(C)c1CN1CC2(C1)C[N@H+](CC1CC1)[C@@H](C(=O)NC(C)C)CO2 ZINC000247977343 209029587 /nfs/dbraw/zinc/02/95/87/209029587.db2.gz GEXOHTYEXCHEFK-GOSISDBHSA-N 1 2 376.501 1.481 40 0 GDABLO Cc1noc(C)c1CN1CC2(C1)C[N@@H+](CC1CC1)[C@@H](C(=O)NC(C)C)CO2 ZINC000247977343 209029591 /nfs/dbraw/zinc/02/95/91/209029591.db2.gz GEXOHTYEXCHEFK-GOSISDBHSA-N 1 2 376.501 1.481 40 0 GDABLO Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3ccc4c(c3)ncn4C)C2)nc[nH+]1 ZINC000257269851 209065166 /nfs/dbraw/zinc/06/51/66/209065166.db2.gz MRQZBMJDRXNPGC-OAQYLSRUSA-N 1 2 394.479 1.775 40 0 GDABLO COCCn1cnc2cc(C(=O)N(C)[C@@H]3CC[C@@H](n4cc[nH+]c4)[C@@H]3O)ccc21 ZINC000257279304 209065963 /nfs/dbraw/zinc/06/59/63/209065963.db2.gz OFZKACWJNFMUIW-GUDVDZBRSA-N 1 2 383.452 1.716 40 0 GDABLO O=C(NC[C@]1(O)CCN(c2cnccn2)C1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000257295529 209070723 /nfs/dbraw/zinc/07/07/23/209070723.db2.gz QYRGVAZUCLRZPF-HXUWFJFHSA-N 1 2 378.436 1.093 40 0 GDABLO CC(C)[N@@H+]1CCN(C(=O)Cn2c3ccccc3nc2C(F)(F)F)C[C@H]1C(N)=O ZINC000257309194 209072670 /nfs/dbraw/zinc/07/26/70/209072670.db2.gz TZXLHVUDAUABAP-AWEZNQCLSA-N 1 2 397.401 1.462 40 0 GDABLO CC(C)[N@H+]1CCN(C(=O)Cn2c3ccccc3nc2C(F)(F)F)C[C@H]1C(N)=O ZINC000257309194 209072673 /nfs/dbraw/zinc/07/26/73/209072673.db2.gz TZXLHVUDAUABAP-AWEZNQCLSA-N 1 2 397.401 1.462 40 0 GDABLO O=C(CC1CCCC1)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCOCC1 ZINC000257318448 209074060 /nfs/dbraw/zinc/07/40/60/209074060.db2.gz VNYIJMGGZCADCH-WKDRNLAYSA-N 1 2 388.508 1.965 40 0 GDABLO CNC(=O)[C@@H]1C[N@H+](Cc2ccnc(N3CCCC3)n2)CCN1Cc1ccccc1 ZINC000257344197 209080480 /nfs/dbraw/zinc/08/04/80/209080480.db2.gz ZWDKZIOSIIYRRL-FQEVSTJZSA-N 1 2 394.523 1.509 40 0 GDABLO CNC(=O)[C@@H]1C[N@@H+](Cc2ccnc(N3CCCC3)n2)CCN1Cc1ccccc1 ZINC000257344197 209080483 /nfs/dbraw/zinc/08/04/83/209080483.db2.gz ZWDKZIOSIIYRRL-FQEVSTJZSA-N 1 2 394.523 1.509 40 0 GDABLO O=C(c1cccnc1)N1C[C@H]2C[C@@H](O)CN2C2(C[NH+](Cc3ccccc3)C2)C1 ZINC000514288508 560034966 /nfs/dbraw/zinc/03/49/66/560034966.db2.gz BNHQOYPMSLLXQH-WOJBJXKFSA-N 1 2 378.476 1.227 40 0 biogenic,in-vitro GDABLO CNC(=O)[C@H]1COC2(CN(C(=O)c3c[nH]c4ccccc34)C2)C[N@@H+]1CC1CC1 ZINC000575406783 570522688 /nfs/dbraw/zinc/52/26/88/570522688.db2.gz SSQFHHWWWWSLHI-GOSISDBHSA-N 1 2 382.464 1.219 40 0 GDABLO CNC(=O)[C@H]1COC2(CN(C(=O)c3c[nH]c4ccccc34)C2)C[N@H+]1CC1CC1 ZINC000575406783 570522691 /nfs/dbraw/zinc/52/26/91/570522691.db2.gz SSQFHHWWWWSLHI-GOSISDBHSA-N 1 2 382.464 1.219 40 0 GDABLO Cc1csc(NC(=O)C[N@@H+]2CCc3nc(N4CCCCC4)[nH]c(=O)c3C2)n1 ZINC000012113722 570609538 /nfs/dbraw/zinc/60/95/38/570609538.db2.gz NXEMIOFGTRKRCW-UHFFFAOYSA-N 1 2 388.497 1.522 40 0 GDABLO Cc1csc(NC(=O)C[N@H+]2CCc3nc(N4CCCCC4)[nH]c(=O)c3C2)n1 ZINC000012113722 570609540 /nfs/dbraw/zinc/60/95/40/570609540.db2.gz NXEMIOFGTRKRCW-UHFFFAOYSA-N 1 2 388.497 1.522 40 0 GDABLO O=C(C[N@@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1)Nc1ccc2c(c1)CCC2 ZINC000012144577 570615863 /nfs/dbraw/zinc/61/58/63/570615863.db2.gz VRNNVQBOVUCIRR-UHFFFAOYSA-N 1 2 393.491 1.856 40 0 GDABLO O=C(C[N@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1)Nc1ccc2c(c1)CCC2 ZINC000012144577 570615868 /nfs/dbraw/zinc/61/58/68/570615868.db2.gz VRNNVQBOVUCIRR-UHFFFAOYSA-N 1 2 393.491 1.856 40 0 GDABLO Cc1ccc(C)c(N([C@H](C)C(=O)NCCCn2cc[nH+]c2)S(C)(=O)=O)c1 ZINC000013677563 570772666 /nfs/dbraw/zinc/77/26/66/570772666.db2.gz ZAYMBMFAVBCNMG-MRXNPFEDSA-N 1 2 378.498 1.861 40 0 GDABLO COC(=O)[C@]1(CCSC)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000020150452 570942531 /nfs/dbraw/zinc/94/25/31/570942531.db2.gz JHVNIDDSVODKDM-NRTGNBEESA-N 1 2 376.478 1.535 40 0 GDABLO CNC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c(C)s1 ZINC000035401873 530613027 /nfs/dbraw/zinc/61/30/27/530613027.db2.gz YCPZUKAWLZEGTJ-UHFFFAOYSA-N 1 2 380.495 1.322 40 0 GDABLO CCS(=O)(=O)NCC[C@H]1Cn2nccc2C[N@H+](Cc2cccc(C)n2)C1 ZINC000306139440 212052672 /nfs/dbraw/zinc/05/26/72/212052672.db2.gz SXGVMYMHJNBFEU-MRXNPFEDSA-N 1 2 377.514 1.548 40 0 GDABLO CCS(=O)(=O)NCC[C@H]1Cn2nccc2C[N@@H+](Cc2cccc(C)n2)C1 ZINC000306139440 212052675 /nfs/dbraw/zinc/05/26/75/212052675.db2.gz SXGVMYMHJNBFEU-MRXNPFEDSA-N 1 2 377.514 1.548 40 0 GDABLO Cn1cc(C[N@@H+]2CCO[C@@](COc3cccc(Cl)c3)(CC(N)=O)C2)cn1 ZINC000257276347 212015999 /nfs/dbraw/zinc/01/59/99/212015999.db2.gz NTHIXEYDHOPHOS-SFHVURJKSA-N 1 2 378.860 1.599 40 0 GDABLO Cn1cc(C[N@H+]2CCO[C@@](COc3cccc(Cl)c3)(CC(N)=O)C2)cn1 ZINC000257276347 212016001 /nfs/dbraw/zinc/01/60/01/212016001.db2.gz NTHIXEYDHOPHOS-SFHVURJKSA-N 1 2 378.860 1.599 40 0 GDABLO O=C(C[NH2+][C@@H]1C=CS(=O)(=O)C1)N1CCC[C@H](c2cc3ccccc3cn2)C1 ZINC000072341207 211092775 /nfs/dbraw/zinc/09/27/75/211092775.db2.gz IIEMQXAGQMSFRJ-ZWKOTPCHSA-N 1 2 385.489 1.841 40 0 GDABLO COc1ccccc1[C@H]1CC(=O)c2cnc(N3CC[NH+](CCO)CC3)nc2C1 ZINC000020478103 210340545 /nfs/dbraw/zinc/34/05/45/210340545.db2.gz YURRTOMTRPFIHH-OAHLLOKOSA-N 1 2 382.464 1.512 40 0 GDABLO CCN(CC)S(=O)(=O)N1CC[NH+](Cc2ccc(N3CCCC3=O)cc2)CC1 ZINC000019715899 210287575 /nfs/dbraw/zinc/28/75/75/210287575.db2.gz FGWYJCRGSAZSRI-UHFFFAOYSA-N 1 2 394.541 1.518 40 0 GDABLO COc1ccc2nc(NC(=O)C[N@@H+]3CCc4nc(C)[nH]c(=O)c4C3)sc2c1 ZINC000019576532 210268601 /nfs/dbraw/zinc/26/86/01/210268601.db2.gz HIMRTWBACQJOEF-UHFFFAOYSA-N 1 2 385.449 1.693 40 0 GDABLO COc1ccc2nc(NC(=O)C[N@H+]3CCc4nc(C)[nH]c(=O)c4C3)sc2c1 ZINC000019576532 210268612 /nfs/dbraw/zinc/26/86/12/210268612.db2.gz HIMRTWBACQJOEF-UHFFFAOYSA-N 1 2 385.449 1.693 40 0 GDABLO O=C1[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3cccs3)C2)C(=O)N1Cc1ccccc1 ZINC000225382194 560044164 /nfs/dbraw/zinc/04/41/64/560044164.db2.gz BGYPLQFKCOCZEW-AEFFLSMTSA-N 1 2 397.500 1.307 40 0 biogenic,in-vitro GDABLO Cn1cc[nH+]c1CN1C(=O)CO[C@H](c2ccc(NC(=O)C3CCC3)cc2)[C@H]1CO ZINC000072321506 560077523 /nfs/dbraw/zinc/07/75/23/560077523.db2.gz QHTDVFQUSGCUHI-YLJYHZDGSA-N 1 2 398.463 1.620 40 0 biogenic,in-vitro GDABLO O=c1[nH]c(N2CCOCC2)nc2ncc3c(c12)CC[N@@H+](Cc1ccccc1)C3 ZINC000022606972 570322897 /nfs/dbraw/zinc/32/28/97/570322897.db2.gz SQGUBMMWANLNFD-UHFFFAOYSA-N 1 2 377.448 1.713 40 0 GDABLO O=c1[nH]c(N2CCOCC2)nc2ncc3c(c12)CC[N@H+](Cc1ccccc1)C3 ZINC000022606972 570322899 /nfs/dbraw/zinc/32/28/99/570322899.db2.gz SQGUBMMWANLNFD-UHFFFAOYSA-N 1 2 377.448 1.713 40 0 GDABLO CCc1nn(CC(=O)NCCc2c[nH+]c[nH]2)c(=O)c2cc3sc(C)cc3n21 ZINC000012115413 570610600 /nfs/dbraw/zinc/61/06/00/570610600.db2.gz GMTGVTQOKCYDRX-UHFFFAOYSA-N 1 2 384.465 1.664 40 0 GDABLO CCc1nn(CC(=O)NCCc2c[nH]c[nH+]2)c(=O)c2cc3sc(C)cc3n21 ZINC000012115413 570610603 /nfs/dbraw/zinc/61/06/03/570610603.db2.gz GMTGVTQOKCYDRX-UHFFFAOYSA-N 1 2 384.465 1.664 40 0 GDABLO COc1cc(N2CCCCC2)nc(NC(=S)NCC[NH+]2CCOCC2)n1 ZINC000225902800 570632090 /nfs/dbraw/zinc/63/20/90/570632090.db2.gz LBEKWYDXOXDMCY-UHFFFAOYSA-N 1 2 380.518 1.094 40 0 GDABLO COc1cc(Oc2ccccc2)nc(NC(=S)NCC[NH+]2CCOCC2)n1 ZINC000225902978 570632393 /nfs/dbraw/zinc/63/23/93/570632393.db2.gz ZKIRBJLJSCVFHO-UHFFFAOYSA-N 1 2 389.481 1.896 40 0 GDABLO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2=O)C1 ZINC000017079621 570918079 /nfs/dbraw/zinc/91/80/79/570918079.db2.gz FFTPMCKOVRMCDU-XJKSGUPXSA-N 1 2 390.436 1.611 40 0 GDABLO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2=O)C1 ZINC000017079621 570918084 /nfs/dbraw/zinc/91/80/84/570918084.db2.gz FFTPMCKOVRMCDU-XJKSGUPXSA-N 1 2 390.436 1.611 40 0 GDABLO Cc1csc2c(C3CCN(C(=O)CC[C@H]4NC(=O)NC4=O)CC3)[nH+]c(C)n12 ZINC000019240539 210236382 /nfs/dbraw/zinc/23/63/82/210236382.db2.gz SNDDHOAMKKGTDF-CYBMUJFWSA-N 1 2 389.481 1.707 40 0 GDABLO Cc1cc2c(cc3c(=O)n(CCC(=O)NCCCn4cc[nH+]c4)nc(C)n23)o1 ZINC000019125965 210226959 /nfs/dbraw/zinc/22/69/59/210226959.db2.gz UEOYPDDVQIBMGG-UHFFFAOYSA-N 1 2 382.424 1.652 40 0 GDABLO CCOC(=O)[C@]1(CCSC)[NH2+][C@H](c2cccs2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000245230668 531056761 /nfs/dbraw/zinc/05/67/61/531056761.db2.gz WFTMLNLONYZUPY-IPJQOSJUSA-N 1 2 382.507 1.678 40 0 GDABLO CC[C@@H](C(=O)NCCCn1cc[nH+]c1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713911 210083484 /nfs/dbraw/zinc/08/34/84/210083484.db2.gz VMEYNLVHVIDFJQ-KRWDZBQOSA-N 1 2 378.498 1.943 40 0 GDABLO CCS(=O)(=O)N1C[C@H](c2cn(C(C)C)c[nH+]2)[C@@]2(CCN(CC3CC3)C2=O)C1 ZINC000306129637 212046937 /nfs/dbraw/zinc/04/69/37/212046937.db2.gz IIRHJGCLMPNOOK-VQIMIIECSA-N 1 2 394.541 1.842 40 0 GDABLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CC[C@H](O)[C@@H](NC(=O)C(C)C)CC1 ZINC000257323712 212024806 /nfs/dbraw/zinc/02/48/06/212024806.db2.gz WLOKYVWTEITQPE-HKUYNNGSSA-N 1 2 386.496 1.859 40 0 GDABLO CC(=O)NCC(=O)N1CCO[C@@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)[nH+]2)C1 ZINC000257273263 212014222 /nfs/dbraw/zinc/01/42/22/212014222.db2.gz NFWVSFDBTJJWTQ-GOSISDBHSA-N 1 2 398.467 1.576 40 0 GDABLO Cc1oncc1C(=O)NCc1cc(=O)n2c(n1)C[N@@H+](Cc1cccs1)CCC2 ZINC000096059664 211297968 /nfs/dbraw/zinc/29/79/68/211297968.db2.gz ORVVCCZWFLWCNY-UHFFFAOYSA-N 1 2 399.476 1.937 40 0 GDABLO Cc1oncc1C(=O)NCc1cc(=O)n2c(n1)C[N@H+](Cc1cccs1)CCC2 ZINC000096059664 211297971 /nfs/dbraw/zinc/29/79/71/211297971.db2.gz ORVVCCZWFLWCNY-UHFFFAOYSA-N 1 2 399.476 1.937 40 0 GDABLO Cc1ncccc1Oc1cncc([C@@H]2CCC[N@@H+]2CC(=O)N2CCOCC2)n1 ZINC000072383557 211107525 /nfs/dbraw/zinc/10/75/25/211107525.db2.gz RBNLGVWEBYMNKO-KRWDZBQOSA-N 1 2 383.452 1.968 40 0 GDABLO Cc1ncccc1Oc1cncc([C@@H]2CCC[N@H+]2CC(=O)N2CCOCC2)n1 ZINC000072383557 211107531 /nfs/dbraw/zinc/10/75/31/211107531.db2.gz RBNLGVWEBYMNKO-KRWDZBQOSA-N 1 2 383.452 1.968 40 0 GDABLO CCc1nc(=O)c2ccccc2n1C1=CCN(C(=O)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000072348274 211094673 /nfs/dbraw/zinc/09/46/73/211094673.db2.gz DJFCLNUODKHZBN-INIZCTEOSA-N 1 2 396.491 1.753 40 0 GDABLO CS(=O)(=O)N1C[C@@H](C(=O)NCCCn2cc[nH+]c2)Oc2ccc(Cl)cc21 ZINC000020457596 210338599 /nfs/dbraw/zinc/33/85/99/210338599.db2.gz WLPIHNXNFBWMLO-HNNXBMFYSA-N 1 2 398.872 1.270 40 0 GDABLO Nc1nc(N2CCOCC2)[nH+]c2c1[C@H](C(=O)Nc1ccccc1F)CC(=O)N2 ZINC000019819935 210299627 /nfs/dbraw/zinc/29/96/27/210299627.db2.gz MDGJUVGTJQEWOP-SNVBAGLBSA-N 1 2 386.387 1.099 40 0 GDABLO CN(C)c1ncc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCOCC4)ncc23)cn1 ZINC000019585469 210269481 /nfs/dbraw/zinc/26/94/81/210269481.db2.gz GHSIFIFKKRXLDO-MAUKXSAKSA-N 1 2 381.484 1.431 40 0 GDABLO CN(C)c1ncc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCOCC4)ncc23)cn1 ZINC000019585469 210269484 /nfs/dbraw/zinc/26/94/84/210269484.db2.gz GHSIFIFKKRXLDO-MAUKXSAKSA-N 1 2 381.484 1.431 40 0 GDABLO O=C(C1CCC1)N1CC2(C1)C[N@H+](CC1CC1)[C@@H](C(=O)N1CCCCO1)CO2 ZINC000575404232 570520545 /nfs/dbraw/zinc/52/05/45/570520545.db2.gz MGNJLDOTRWHFLH-QGZVFWFLSA-N 1 2 377.485 1.032 40 0 GDABLO O=C(C1CCC1)N1CC2(C1)C[N@@H+](CC1CC1)[C@@H](C(=O)N1CCCCO1)CO2 ZINC000575404232 570520547 /nfs/dbraw/zinc/52/05/47/570520547.db2.gz MGNJLDOTRWHFLH-QGZVFWFLSA-N 1 2 377.485 1.032 40 0 GDABLO COc1ccc(C2(O)CC[NH+](CC(=O)Nc3ccccc3C(N)=O)CC2)cc1 ZINC000012113129 570609208 /nfs/dbraw/zinc/60/92/08/570609208.db2.gz ISSZKEVOTBVKDL-UHFFFAOYSA-N 1 2 383.448 1.716 40 0 GDABLO Cc1cc(N2CCCCCC2)nc(NC(=S)NCC[NH+]2CCOCC2)n1 ZINC000225905346 570632304 /nfs/dbraw/zinc/63/23/04/570632304.db2.gz TYEOGLPLVKOXSF-UHFFFAOYSA-N 1 2 378.546 1.784 40 0 GDABLO Cc1cncc(C[N@@H+]2CCC[C@]3(CC(C(=O)N4CC(F)(C5CC5)C4)=NO3)C2)n1 ZINC000585101320 570926724 /nfs/dbraw/zinc/92/67/24/570926724.db2.gz YBLPDQMTGIMJNI-IBGZPJMESA-N 1 2 387.459 1.856 40 0 GDABLO Cc1cncc(C[N@H+]2CCC[C@]3(CC(C(=O)N4CC(F)(C5CC5)C4)=NO3)C2)n1 ZINC000585101320 570926727 /nfs/dbraw/zinc/92/67/27/570926727.db2.gz YBLPDQMTGIMJNI-IBGZPJMESA-N 1 2 387.459 1.856 40 0 GDABLO CC(=O)Nc1cccc(-c2c[nH+]c3n2CCN(C(=O)CN2CCOCC2)CC3)c1 ZINC000585111345 570946172 /nfs/dbraw/zinc/94/61/72/570946172.db2.gz PLRJIWADOFIALE-UHFFFAOYSA-N 1 2 397.479 1.225 40 0 GDABLO CCOc1ncc(C2(O)CC[NH+](Cc3cnc(OC)nc3)CC2)c(OCC)n1 ZINC000019531765 210257850 /nfs/dbraw/zinc/25/78/50/210257850.db2.gz WUQUEYMCKUIYCG-UHFFFAOYSA-N 1 2 389.456 1.556 40 0 GDABLO C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCCCn1cc[nH+]c1 ZINC000408593731 231071623 /nfs/dbraw/zinc/07/16/23/231071623.db2.gz NXKKHFIUPQLERG-OAHLLOKOSA-N 1 2 386.477 1.910 40 0 GDABLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3ccc(F)cc3)cc2)CC1 ZINC000016740354 210195597 /nfs/dbraw/zinc/19/55/97/210195597.db2.gz LOKHSTCTMBXCPU-UHFFFAOYSA-N 1 2 391.468 1.943 40 0 GDABLO CNC(=O)c1cc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1C ZINC000408610780 529932422 /nfs/dbraw/zinc/93/24/22/529932422.db2.gz VWJWVWLLEQDDHM-UHFFFAOYSA-N 1 2 387.505 1.861 40 0 GDABLO CC(=O)Nc1nnc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000223109878 531028222 /nfs/dbraw/zinc/02/82/22/531028222.db2.gz DZIFOINQVDVEHA-UHFFFAOYSA-N 1 2 378.439 1.161 40 0 GDABLO Cc1ccc(Cl)cc1S(=O)(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000575426051 532013728 /nfs/dbraw/zinc/01/37/28/532013728.db2.gz LKYJHBVTUUBCHR-CQSZACIVSA-N 1 2 394.946 1.388 40 0 GDABLO Cn1cnc(S(=O)(=O)N2Cc3c[nH+]cn3[C@H](COCC3CCCC3)C2)c1 ZINC000306141808 212055813 /nfs/dbraw/zinc/05/58/13/212055813.db2.gz WGVVGIFVHFGHKM-INIZCTEOSA-N 1 2 379.486 1.569 40 0 GDABLO Cc1ncccc1Oc1cncc([C@H]2CCC[N@@H+]2CC(=O)N2CCOCC2)n1 ZINC000072383558 211107593 /nfs/dbraw/zinc/10/75/93/211107593.db2.gz RBNLGVWEBYMNKO-QGZVFWFLSA-N 1 2 383.452 1.968 40 0 GDABLO Cc1ncccc1Oc1cncc([C@H]2CCC[N@H+]2CC(=O)N2CCOCC2)n1 ZINC000072383558 211107595 /nfs/dbraw/zinc/10/75/95/211107595.db2.gz RBNLGVWEBYMNKO-QGZVFWFLSA-N 1 2 383.452 1.968 40 0 GDABLO COc1ccc(CN2CC3(C2)C[N@H+](Cc2cccnc2)C[C@H]2C[C@@H](O)CN23)cc1 ZINC000514290395 560029249 /nfs/dbraw/zinc/02/92/49/560029249.db2.gz XWGOJJXSPNKFAJ-NHCUHLMSSA-N 1 2 394.519 1.596 40 0 biogenic,in-vitro GDABLO COc1ccc(CN2CC3(C2)C[N@@H+](Cc2cccnc2)C[C@H]2C[C@@H](O)CN23)cc1 ZINC000514290395 560029251 /nfs/dbraw/zinc/02/92/51/560029251.db2.gz XWGOJJXSPNKFAJ-NHCUHLMSSA-N 1 2 394.519 1.596 40 0 biogenic,in-vitro GDABLO COC(=O)[C@@H]1Cc2[nH+]cn(C(C)C)c2CN1S(=O)(=O)c1ccc(F)cc1 ZINC000015676502 560095593 /nfs/dbraw/zinc/09/55/93/560095593.db2.gz SRZPJPGXLAIVOB-HNNXBMFYSA-N 1 2 381.429 1.892 40 0 biogenic,in-vitro GDABLO CC(=O)N1C[C@@H]2COCCN2C2(C[NH+](Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000604381009 570352363 /nfs/dbraw/zinc/35/23/63/570352363.db2.gz BBFKEXMJPGQQRI-MRXNPFEDSA-N 1 2 399.413 1.703 40 0 biogenic,in-vitro GDABLO CC[C@@]12C[C@@]3(C(=O)OC)O[C@H]1[C@@H](O)C[N@@H+]1CCc4c5ccc(OC)cc5n3c4[C@H]12 ZINC000005011026 570423885 /nfs/dbraw/zinc/42/38/85/570423885.db2.gz DFVNOPYNGMIZGL-ITJSPEIASA-N 1 2 398.459 1.948 40 0 GDABLO CC[C@@]12C[C@@]3(C(=O)OC)O[C@H]1[C@@H](O)C[N@H+]1CCc4c5ccc(OC)cc5n3c4[C@H]12 ZINC000005011026 570423888 /nfs/dbraw/zinc/42/38/88/570423888.db2.gz DFVNOPYNGMIZGL-ITJSPEIASA-N 1 2 398.459 1.948 40 0 GDABLO C[NH+]1CCN(S(=O)(=O)c2ccc(C(=O)N3CCc4ccccc4C3)cc2)CC1 ZINC000035313696 570468115 /nfs/dbraw/zinc/46/81/15/570468115.db2.gz KZVHOWNCYJGXNJ-UHFFFAOYSA-N 1 2 399.516 1.821 40 0 GDABLO CCn1cc(S(=O)(=O)N2CC[NH+](C[C@@H]3Cc4ccccc4O3)CC2)c(C)n1 ZINC000036741443 570569460 /nfs/dbraw/zinc/56/94/60/570569460.db2.gz YYMWQIQFQJGAOK-KRWDZBQOSA-N 1 2 390.509 1.521 40 0 GDABLO COCCn1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[NH+]1CCCC1 ZINC000004212361 570623111 /nfs/dbraw/zinc/62/31/11/570623111.db2.gz CMRLYDDATFTVNP-SFHVURJKSA-N 1 2 382.468 1.963 40 0 GDABLO CCOc1ccc(NC(=S)NCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000044241716 570632658 /nfs/dbraw/zinc/63/26/58/570632658.db2.gz MHEQNTQUUURZGM-UHFFFAOYSA-N 1 2 386.525 1.984 40 0 GDABLO CS(=O)(=O)NC[C@@H]1CCC2(C[NH+](Cc3ccc4ccccc4n3)C2)OC1 ZINC000247528781 570715613 /nfs/dbraw/zinc/71/56/13/570715613.db2.gz OBYRNYBUDIJSRY-HNNXBMFYSA-N 1 2 375.494 1.765 40 0 GDABLO COCCNC(=O)[C@H]1C[N@H+](CCOc2ccc(Cl)cc2)Cc2ccnn21 ZINC000247880645 570716826 /nfs/dbraw/zinc/71/68/26/570716826.db2.gz PXIYFUBOVVGXKJ-QGZVFWFLSA-N 1 2 378.860 1.735 40 0 GDABLO COCCNC(=O)[C@H]1C[N@@H+](CCOc2ccc(Cl)cc2)Cc2ccnn21 ZINC000247880645 570716829 /nfs/dbraw/zinc/71/68/29/570716829.db2.gz PXIYFUBOVVGXKJ-QGZVFWFLSA-N 1 2 378.860 1.735 40 0 GDABLO O=C(NCc1cccnc1)[C@@H]1CN(C(=O)c2cccc(O)c2)Cc2c[nH+]cn21 ZINC000585096174 570922691 /nfs/dbraw/zinc/92/26/91/570922691.db2.gz WRTJUHGEPWIHLJ-SFHVURJKSA-N 1 2 377.404 1.497 40 0 GDABLO COc1ccc(-n2ncc(C(=O)[C@H]3CCN(C(=O)Cn4cc[nH+]c4)C3)c2N)cc1 ZINC000019558801 210264001 /nfs/dbraw/zinc/26/40/01/210264001.db2.gz KKSVZFJDZIBJCZ-AWEZNQCLSA-N 1 2 394.435 1.391 40 0 GDABLO CCN1C[C@H](C(=O)N2CCN([C@H](c3[nH+]ccn3C)c3ccccc3)CC2)CC1=O ZINC000019526938 210257255 /nfs/dbraw/zinc/25/72/55/210257255.db2.gz DKUDIEIODRCJGN-QUCCMNQESA-N 1 2 395.507 1.522 40 0 GDABLO O=C(C[NH2+][C@H]1C=CS(=O)(=O)C1)N[C@@H](Cc1cccs1)c1ccccn1 ZINC000019400922 210249442 /nfs/dbraw/zinc/24/94/42/210249442.db2.gz JBIWXSBZZAHSCV-BBRMVZONSA-N 1 2 377.491 1.443 40 0 GDABLO CC(C)Nc1[nH+]c2cc(Cl)c(Cl)cc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000011616911 530554486 /nfs/dbraw/zinc/55/44/86/530554486.db2.gz KJFBVJALEQWJBS-YIYPIFLZSA-N 1 2 376.240 1.775 40 0 GDABLO CCS(=O)(=O)NCC[C@@H]1Cn2nccc2C[N@@H+](Cc2cccc(C)n2)C1 ZINC000306139439 212054005 /nfs/dbraw/zinc/05/40/05/212054005.db2.gz SXGVMYMHJNBFEU-INIZCTEOSA-N 1 2 377.514 1.548 40 0 GDABLO CCS(=O)(=O)NCC[C@@H]1Cn2nccc2C[N@H+](Cc2cccc(C)n2)C1 ZINC000306139439 212054003 /nfs/dbraw/zinc/05/40/03/212054003.db2.gz SXGVMYMHJNBFEU-INIZCTEOSA-N 1 2 377.514 1.548 40 0 GDABLO CC[N@H+](Cc1ccc(/C=C/C(=O)[O-])cc1)C[C@]1(C)Cc2c(nc(N)[nH+]c2N)O1 ZINC000257343767 212027460 /nfs/dbraw/zinc/02/74/60/212027460.db2.gz ZUIKCAQAKIRPBK-IBDYFIJFSA-N 1 2 383.452 1.955 40 0 GDABLO CC[N@@H+](Cc1ccc(/C=C/C(=O)[O-])cc1)C[C@]1(C)Cc2c(nc(N)[nH+]c2N)O1 ZINC000257343767 212027462 /nfs/dbraw/zinc/02/74/62/212027462.db2.gz ZUIKCAQAKIRPBK-IBDYFIJFSA-N 1 2 383.452 1.955 40 0 GDABLO CC(C)c1ncc(C(=O)N2CCC[C@H](CC(=O)NCCn3cc[nH+]c3)C2)cn1 ZINC000257334134 212025993 /nfs/dbraw/zinc/02/59/93/212025993.db2.gz YERMRJIBIVJQCP-MRXNPFEDSA-N 1 2 384.484 1.855 40 0 GDABLO CC(=O)N1CCCN(C(=O)[C@]2(C)CCCN(c3cc(N(C)C)[nH+]cn3)C2)CC1 ZINC000257310163 212022802 /nfs/dbraw/zinc/02/28/02/212022802.db2.gz UDXYYFIHMJIPHD-HXUWFJFHSA-N 1 2 388.516 1.230 40 0 GDABLO CC(=O)N1CCCN(C(=O)[C@]2(C)CCCN(c3cc(N(C)C)nc[nH+]3)C2)CC1 ZINC000257310163 212022807 /nfs/dbraw/zinc/02/28/07/212022807.db2.gz UDXYYFIHMJIPHD-HXUWFJFHSA-N 1 2 388.516 1.230 40 0 GDABLO CC[N@H+](Cc1cc(C)c(O)c(C(=O)[O-])c1)C[C@]1(C)Cc2c(nc(N)[nH+]c2N)O1 ZINC000257290374 212017482 /nfs/dbraw/zinc/01/74/82/212017482.db2.gz QCSLMXCZEYFHKK-IBGZPJMESA-N 1 2 387.440 1.569 40 0 GDABLO CC[N@@H+](Cc1cc(C)c(O)c(C(=O)[O-])c1)C[C@]1(C)Cc2c(nc(N)[nH+]c2N)O1 ZINC000257290374 212017486 /nfs/dbraw/zinc/01/74/86/212017486.db2.gz QCSLMXCZEYFHKK-IBGZPJMESA-N 1 2 387.440 1.569 40 0 GDABLO COc1ccc(C[N@@H+]2CCO[C@H](c3ccc4c(=O)n(C)c(=O)n(C)c4n3)C2)cc1 ZINC000257275991 212015915 /nfs/dbraw/zinc/01/59/15/212015915.db2.gz NRWVOUNRWIAALG-SFHVURJKSA-N 1 2 396.447 1.214 40 0 GDABLO COc1ccc(C[N@H+]2CCO[C@H](c3ccc4c(=O)n(C)c(=O)n(C)c4n3)C2)cc1 ZINC000257275991 212015917 /nfs/dbraw/zinc/01/59/17/212015917.db2.gz NRWVOUNRWIAALG-SFHVURJKSA-N 1 2 396.447 1.214 40 0 GDABLO COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000019913340 210306069 /nfs/dbraw/zinc/30/60/69/210306069.db2.gz RQVSOOANPVISME-LJQANCHMSA-N 1 2 398.459 1.671 40 0 GDABLO CNC(=O)c1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)Cc2ccccn2)nc1C ZINC000019711199 210286034 /nfs/dbraw/zinc/28/60/34/210286034.db2.gz LTDGITPEYAYWHY-IBGZPJMESA-N 1 2 381.480 1.940 40 0 GDABLO CNC(=O)c1ccc([C@@H]2CCCN2C(=O)C[N@@H+](C)Cc2ccccn2)nc1C ZINC000019711199 210286035 /nfs/dbraw/zinc/28/60/35/210286035.db2.gz LTDGITPEYAYWHY-IBGZPJMESA-N 1 2 381.480 1.940 40 0 GDABLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cc2nccc(-c3ccc(F)cc3)n2n1 ZINC000019715649 210287630 /nfs/dbraw/zinc/28/76/30/210287630.db2.gz FONMWQMPSAMCIS-CQSZACIVSA-N 1 2 383.427 1.986 40 0 GDABLO CS(=O)(=O)N(CC(=O)NCCCn1cc[nH+]c1)c1ccc(F)c(Cl)c1 ZINC000408617157 533376939 /nfs/dbraw/zinc/37/69/39/533376939.db2.gz HZYYLGWASMNPHZ-UHFFFAOYSA-N 1 2 388.852 1.648 40 0 GDABLO C[C@H](CCc1ccccc1)Nc1nc(N2CCOCC2)nc(N2CCOCC2)[nH+]1 ZINC000000854121 136193047 /nfs/dbraw/zinc/19/30/47/136193047.db2.gz MZCKTQVUZLQBKA-QGZVFWFLSA-N 1 2 398.511 1.978 40 0 GDABLO C[C@H](CCc1ccccc1)Nc1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC000000854121 136193049 /nfs/dbraw/zinc/19/30/49/136193049.db2.gz MZCKTQVUZLQBKA-QGZVFWFLSA-N 1 2 398.511 1.978 40 0 GDABLO CCNc1nc(N2CC[NH+](CCO)CC2)nc2c1C(=O)C[C@H](c1ccccc1)C2 ZINC000020801878 570281563 /nfs/dbraw/zinc/28/15/63/570281563.db2.gz OFZLRRUDVCNQIP-QGZVFWFLSA-N 1 2 395.507 1.935 40 0 GDABLO O=C(C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1)NC[C@H]1COCCO1 ZINC000035315667 570469493 /nfs/dbraw/zinc/46/94/93/570469493.db2.gz CNWRIPPFWFOYNH-KRWDZBQOSA-N 1 2 380.872 1.766 40 0 GDABLO Cc1nc(NC2CC[NH+](CC(=O)Nc3ccc4c(c3)OCO4)CC2)[nH]c(=O)c1C ZINC000012113677 570609481 /nfs/dbraw/zinc/60/94/81/570609481.db2.gz JGZWPNIRSJDTIQ-UHFFFAOYSA-N 1 2 399.451 1.630 40 0 GDABLO Cc1cc(N2CCC(C)CC2)nc(NC(=S)NCC[NH+]2CCOCC2)n1 ZINC000225905160 570632228 /nfs/dbraw/zinc/63/22/28/570632228.db2.gz BKEKREHCVRGDRT-UHFFFAOYSA-N 1 2 378.546 1.640 40 0 GDABLO CCOC(=O)c1ccc(N2C(=O)C[C@H]([NH+]3CCC4(CC3)OCCO4)C2=O)cc1 ZINC000017946068 570922018 /nfs/dbraw/zinc/92/20/18/570922018.db2.gz KRBWSFIVLGXPOI-INIZCTEOSA-N 1 2 388.420 1.334 40 0 GDABLO CC[C@H](c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CC[NH+](C)CC1 ZINC000019500655 570926682 /nfs/dbraw/zinc/92/66/82/570926682.db2.gz ZCCMIXWCKBCLQA-MRXNPFEDSA-N 1 2 378.502 1.111 40 0 GDABLO CCOC(=O)[C@@]1(CCSC)[NH2+][C@@H](c2cccc(C)c2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000019529672 570928741 /nfs/dbraw/zinc/92/87/41/570928741.db2.gz WTOCGNZAHARIQO-QOIOWGMHSA-N 1 2 390.505 1.925 40 0 GDABLO CNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000019823838 570930099 /nfs/dbraw/zinc/93/00/99/570930099.db2.gz BVNHABYIYUNZMC-UHFFFAOYSA-N 1 2 388.537 1.783 40 0 GDABLO COc1cc(CC(=O)N2CCO[C@H](Cn3cc[nH+]c3)C2)cc(OC)c1OC ZINC000019549642 210257683 /nfs/dbraw/zinc/25/76/83/210257683.db2.gz BQXLHXDACFTGOK-OAHLLOKOSA-N 1 2 375.425 1.379 40 0 GDABLO CC1(C)C(=O)N[C@@H]2CCCC[C@H]2N1C(=O)C[NH+]1CCN(c2nccs2)CC1 ZINC000019460322 210251062 /nfs/dbraw/zinc/25/10/62/210251062.db2.gz DGHGIZBGMOIECQ-HUUCEWRRSA-N 1 2 391.541 1.313 40 0 GDABLO Cc1ccc(Cl)cc1S(=O)(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000575426050 532013697 /nfs/dbraw/zinc/01/36/97/532013697.db2.gz LKYJHBVTUUBCHR-AWEZNQCLSA-N 1 2 394.946 1.388 40 0 GDABLO COc1ncccc1C[N@@H+]1C[C@H]2CN(Cc3csc(C)n3)S(=O)(=O)[C@@H]2C1 ZINC000306138629 212052237 /nfs/dbraw/zinc/05/22/37/212052237.db2.gz SCOSNSAZFZPBOP-GOEBONIOSA-N 1 2 394.522 1.501 40 0 GDABLO COc1ncccc1C[N@H+]1C[C@H]2CN(Cc3csc(C)n3)S(=O)(=O)[C@@H]2C1 ZINC000306138629 212052242 /nfs/dbraw/zinc/05/22/42/212052242.db2.gz SCOSNSAZFZPBOP-GOEBONIOSA-N 1 2 394.522 1.501 40 0 GDABLO Cc1nc(C[N@H+]2CC[C@@]3(C2)COCc2cnc(N4C[C@H](C)O[C@@H](C)C4)nc23)c[nH]1 ZINC000306127619 212048011 /nfs/dbraw/zinc/04/80/11/212048011.db2.gz GDPBRUIKKWUZFO-VFCRVFHLSA-N 1 2 398.511 1.796 40 0 GDABLO Cc1nc(C[N@@H+]2CC[C@@]3(C2)COCc2cnc(N4C[C@H](C)O[C@@H](C)C4)nc23)c[nH]1 ZINC000306127619 212048013 /nfs/dbraw/zinc/04/80/13/212048013.db2.gz GDPBRUIKKWUZFO-VFCRVFHLSA-N 1 2 398.511 1.796 40 0 GDABLO CC(=O)N[C@]12C[N@H+](Cc3ncc[nH]3)[C@H](c3ccccc3)[C@H]1CCN(C(C)=O)C2 ZINC000257322770 212024565 /nfs/dbraw/zinc/02/45/65/212024565.db2.gz WHIMMJITFINKDU-HMXCVIKNSA-N 1 2 381.480 1.710 40 0 GDABLO CC(=O)N[C@]12C[N@@H+](Cc3ncc[nH]3)[C@H](c3ccccc3)[C@H]1CCN(C(C)=O)C2 ZINC000257322770 212024568 /nfs/dbraw/zinc/02/45/68/212024568.db2.gz WHIMMJITFINKDU-HMXCVIKNSA-N 1 2 381.480 1.710 40 0 GDABLO CC(=O)N1CC[NH+](C[C@]2(O)CCCN(C(=O)c3cc(C(C)C)[nH]n3)CC2)CC1 ZINC000257298500 212019914 /nfs/dbraw/zinc/01/99/14/212019914.db2.gz RLZCZDNEDHMSNB-FQEVSTJZSA-N 1 2 391.516 1.054 40 0 GDABLO CCN(CC)S(=O)(=O)N1CC[C@H](c2ncncc2-c2cc[nH+]c(N)c2)C1 ZINC000257236416 212009056 /nfs/dbraw/zinc/00/90/56/212009056.db2.gz HCBHJIYCHMAXRA-AWEZNQCLSA-N 1 2 376.486 1.497 40 0 GDABLO CN(C)C(=O)C[N@H+]1CC[C@@]2(C1)c1ccccc1S(=O)(=O)N2Cc1ccccc1 ZINC000096261918 211326808 /nfs/dbraw/zinc/32/68/08/211326808.db2.gz YFQZDNRUCYSWJA-OAQYLSRUSA-N 1 2 399.516 1.880 40 0 GDABLO CN(C)C(=O)C[N@@H+]1CC[C@@]2(C1)c1ccccc1S(=O)(=O)N2Cc1ccccc1 ZINC000096261918 211326801 /nfs/dbraw/zinc/32/68/01/211326801.db2.gz YFQZDNRUCYSWJA-OAQYLSRUSA-N 1 2 399.516 1.880 40 0 GDABLO Cc1ccccc1C[N@H+]1CC[C@@H]2[C@H](CC1)N(S(C)(=O)=O)CCS2(=O)=O ZINC000096251589 211324484 /nfs/dbraw/zinc/32/44/84/211324484.db2.gz BRXQIHYYSMXGCL-DLBZAZTESA-N 1 2 386.539 1.018 40 0 GDABLO Cc1ccccc1C[N@@H+]1CC[C@@H]2[C@H](CC1)N(S(C)(=O)=O)CCS2(=O)=O ZINC000096251589 211324486 /nfs/dbraw/zinc/32/44/86/211324486.db2.gz BRXQIHYYSMXGCL-DLBZAZTESA-N 1 2 386.539 1.018 40 0 GDABLO COCCc1ncc(C[N@@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cn1 ZINC000072339911 211094078 /nfs/dbraw/zinc/09/40/78/211094078.db2.gz HDDHMABTDXBOSS-UHFFFAOYSA-N 1 2 378.436 1.781 40 0 GDABLO COCCc1ncc(C[N@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cn1 ZINC000072339911 211094080 /nfs/dbraw/zinc/09/40/80/211094080.db2.gz HDDHMABTDXBOSS-UHFFFAOYSA-N 1 2 378.436 1.781 40 0 GDABLO COc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2[nH+]c(N3CCCC3)nc(N)c21 ZINC000020635803 210353551 /nfs/dbraw/zinc/35/35/51/210353551.db2.gz CZHIYNBKUSQXMQ-LLVKDONJSA-N 1 2 382.424 1.732 40 0 GDABLO CC[N@@H+]1CCN(c2ccc(C)nc2)C(=O)C12CCN(C(=O)[C@@H]1CCOC1)CC2 ZINC000096230367 136185351 /nfs/dbraw/zinc/18/53/51/136185351.db2.gz XTWGFGWUDNIBLD-QGZVFWFLSA-N 1 2 386.496 1.456 40 0 GDABLO CC[N@H+]1CCN(c2ccc(C)nc2)C(=O)C12CCN(C(=O)[C@@H]1CCOC1)CC2 ZINC000096230367 136185352 /nfs/dbraw/zinc/18/53/52/136185352.db2.gz XTWGFGWUDNIBLD-QGZVFWFLSA-N 1 2 386.496 1.456 40 0 GDABLO CCOC(=O)Nc1cc(S(=O)(=O)NCCCn2cc[nH+]c2)ccc1OC ZINC000408585588 529105854 /nfs/dbraw/zinc/10/58/54/529105854.db2.gz GQOBUMQYZUOCCZ-UHFFFAOYSA-N 1 2 382.442 1.829 40 0 GDABLO CCNC(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3[nH+]ccn3C)[C@@H]2CO)cc1 ZINC000072321477 560076483 /nfs/dbraw/zinc/07/64/83/560076483.db2.gz MOTLGGTVUXEASZ-CRAIPNDOSA-N 1 2 387.440 1.023 40 0 biogenic,in-vitro GDABLO CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)s1 ZINC000035313706 570468322 /nfs/dbraw/zinc/46/83/22/570468322.db2.gz WIGQQCCVKMNPHM-UHFFFAOYSA-N 1 2 395.510 1.289 40 0 GDABLO O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000140188006 570495520 /nfs/dbraw/zinc/49/55/20/570495520.db2.gz PBDLPSQUKRFDGR-CALCHBBNSA-N 1 2 378.432 1.830 40 0 GDABLO CC(=O)Nc1nnc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2C)s1 ZINC000224658496 570523023 /nfs/dbraw/zinc/52/30/23/570523023.db2.gz SSNJNBKPJZTFRK-UHFFFAOYSA-N 1 2 392.466 1.469 40 0 GDABLO CCNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000019822712 570930137 /nfs/dbraw/zinc/93/01/37/570930137.db2.gz DMBREZQFNNGSEQ-UHFFFAOYSA-N 1 2 388.537 1.865 40 0 GDABLO C[C@H](c1ccccc1)N1CCc2oc(C(=O)NC[C@@H]3C[N@H+](C)CCO3)nc2C1 ZINC000585111924 570942429 /nfs/dbraw/zinc/94/24/29/570942429.db2.gz JGUXUUJPOMYUHK-NVXWUHKLSA-N 1 2 384.480 1.854 40 0 GDABLO C[C@H](c1ccccc1)N1CCc2oc(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)nc2C1 ZINC000585111924 570942430 /nfs/dbraw/zinc/94/24/30/570942430.db2.gz JGUXUUJPOMYUHK-NVXWUHKLSA-N 1 2 384.480 1.854 40 0 GDABLO CS(=O)(=O)c1cccnc1C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000019573618 210267386 /nfs/dbraw/zinc/26/73/86/210267386.db2.gz MGPSATXNSSNCKS-UHFFFAOYSA-N 1 2 376.482 1.868 40 0 GDABLO CCn1cc(S(=O)(=O)N2CCc3nc([C@@H]4CCCC[N@@H+]4C)ncc3C2)cn1 ZINC000019525089 210257289 /nfs/dbraw/zinc/25/72/89/210257289.db2.gz TZVKNECFEZDVRZ-KRWDZBQOSA-N 1 2 390.513 1.597 40 0 GDABLO CCn1cc(S(=O)(=O)N2CCc3nc([C@@H]4CCCC[N@H+]4C)ncc3C2)cn1 ZINC000019525089 210257294 /nfs/dbraw/zinc/25/72/94/210257294.db2.gz TZVKNECFEZDVRZ-KRWDZBQOSA-N 1 2 390.513 1.597 40 0 GDABLO Cn1cc[nH+]c1[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2CC(=O)OC2(C)C)CC1 ZINC000019460450 210251392 /nfs/dbraw/zinc/25/13/92/210251392.db2.gz ZBRWEDXRFOXOLP-MJGOQNOKSA-N 1 2 396.491 1.995 40 0 GDABLO O=C(C[NH2+][C@@H]1C=CS(=O)(=O)C1)N[C@H](Cc1cccs1)c1ccccn1 ZINC000019400931 210249270 /nfs/dbraw/zinc/24/92/70/210249270.db2.gz JBIWXSBZZAHSCV-CZUORRHYSA-N 1 2 377.491 1.443 40 0 GDABLO O=C(C[NH2+][C@@H]1C=CS(=O)(=O)C1)N[C@@H](Cc1cccs1)c1ccccn1 ZINC000019400925 210248167 /nfs/dbraw/zinc/24/81/67/210248167.db2.gz JBIWXSBZZAHSCV-CJNGLKHVSA-N 1 2 377.491 1.443 40 0 GDABLO Cn1ccc(C(=O)N2CCN(C)[C@@H](c3cn4c(cccc4N4CCCC4)[nH+]3)C2)n1 ZINC000306132155 212049670 /nfs/dbraw/zinc/04/96/70/212049670.db2.gz LAGVSPXYFMHXEW-GOSISDBHSA-N 1 2 393.495 1.797 40 0 GDABLO O=C(CC[N@@H+]1CCO[C@@H](c2cccc(Nc3cnccn3)n2)C1)N1CCOCC1 ZINC000257335945 212027745 /nfs/dbraw/zinc/02/77/45/212027745.db2.gz YMMVCMQRGAVPBI-QGZVFWFLSA-N 1 2 398.467 1.237 40 0 GDABLO O=C(CC[N@H+]1CCO[C@@H](c2cccc(Nc3cnccn3)n2)C1)N1CCOCC1 ZINC000257335945 212027748 /nfs/dbraw/zinc/02/77/48/212027748.db2.gz YMMVCMQRGAVPBI-QGZVFWFLSA-N 1 2 398.467 1.237 40 0 GDABLO Cn1c(=O)c2ccc([C@@H]3C[N@H+](Cc4ccc(F)cc4)CCO3)nc2n(C)c1=O ZINC000257286624 212017754 /nfs/dbraw/zinc/01/77/54/212017754.db2.gz PMHDMISTESGALQ-KRWDZBQOSA-N 1 2 384.411 1.345 40 0 GDABLO Cn1c(=O)c2ccc([C@@H]3C[N@@H+](Cc4ccc(F)cc4)CCO3)nc2n(C)c1=O ZINC000257286624 212017757 /nfs/dbraw/zinc/01/77/57/212017757.db2.gz PMHDMISTESGALQ-KRWDZBQOSA-N 1 2 384.411 1.345 40 0 GDABLO C[NH+]1CCN(S(=O)(=O)c2ccc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)cc2)CC1 ZINC000100884090 211392809 /nfs/dbraw/zinc/39/28/09/211392809.db2.gz FPKGBYKNSQJROE-CALCHBBNSA-N 1 2 391.493 1.302 40 0 GDABLO COC(=O)[C@@]1(CCSC)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000100420458 211387017 /nfs/dbraw/zinc/38/70/17/211387017.db2.gz JHVNIDDSVODKDM-ZTENYAIWSA-N 1 2 376.478 1.535 40 0 GDABLO COCCN1[C@]2(CC[N@H+](Cc3nccs3)C2)c2ccccc2S1(=O)=O ZINC000096143061 211308451 /nfs/dbraw/zinc/30/84/51/211308451.db2.gz YUWWYKFUQOACCT-KRWDZBQOSA-N 1 2 379.507 1.895 40 0 GDABLO COCCN1[C@]2(CC[N@@H+](Cc3nccs3)C2)c2ccccc2S1(=O)=O ZINC000096143061 211308454 /nfs/dbraw/zinc/30/84/54/211308454.db2.gz YUWWYKFUQOACCT-KRWDZBQOSA-N 1 2 379.507 1.895 40 0 GDABLO COC(=O)[C@@]1(CCSC)[NH2+][C@H](c2ccccc2C)[C@@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000020150451 210319389 /nfs/dbraw/zinc/31/93/89/210319389.db2.gz JHVNIDDSVODKDM-GJRWTSMGSA-N 1 2 376.478 1.535 40 0 GDABLO O=C(Nc1ccccc1)[C@@H]1CC(=O)NC(N2CCN(c3ccccn3)CC2)=[NH+]1 ZINC000014607039 136201716 /nfs/dbraw/zinc/20/17/16/136201716.db2.gz WXEOIJOMZQCKPF-INIZCTEOSA-N 1 2 378.436 1.087 40 0 GDABLO CCCS(=O)(=O)N[C@H]1C[C@@H](c2nc(-c3ccc(OC)cc3)no2)[N@H+](C)C1 ZINC000012529940 560212963 /nfs/dbraw/zinc/21/29/63/560212963.db2.gz WXYRINXAQWUJCY-ZFWWWQNUSA-N 1 2 380.470 1.820 40 0 biogenic,in-vitro GDABLO CCCS(=O)(=O)N[C@H]1C[C@@H](c2nc(-c3ccc(OC)cc3)no2)[N@@H+](C)C1 ZINC000012529940 560212965 /nfs/dbraw/zinc/21/29/65/560212965.db2.gz WXYRINXAQWUJCY-ZFWWWQNUSA-N 1 2 380.470 1.820 40 0 biogenic,in-vitro GDABLO COc1ccc([C@@H](CNC(=O)N[C@@H]2C=CS(=O)(=O)C2)[NH+]2CCCC2)cc1 ZINC000575420205 570307771 /nfs/dbraw/zinc/30/77/71/570307771.db2.gz AOTFHAUSJSNSBC-NVXWUHKLSA-N 1 2 379.482 1.442 40 0 GDABLO O=C(C[NH+]1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1)N1CCOCC1 ZINC000057688517 570366384 /nfs/dbraw/zinc/36/63/84/570366384.db2.gz CWJRYEPBMRSDBT-UHFFFAOYSA-N 1 2 390.484 1.930 40 0 GDABLO CCOc1ccccc1N(CC(=O)NCCCn1cc[nH+]c1)S(C)(=O)=O ZINC000408626742 570379092 /nfs/dbraw/zinc/37/90/92/570379092.db2.gz WJFPGSKSWBHFDH-UHFFFAOYSA-N 1 2 380.470 1.254 40 0 GDABLO Cc1cc(NC(=O)C[NH+]2CCC(c3nn(C)c(=O)n3-c3ccccc3)CC2)no1 ZINC000077100651 570413020 /nfs/dbraw/zinc/41/30/20/570413020.db2.gz RWTIDLAKCSCANJ-UHFFFAOYSA-N 1 2 396.451 1.686 40 0 GDABLO CCOc1ccccc1NC(=O)C[N@@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1 ZINC000012113740 570609552 /nfs/dbraw/zinc/60/95/52/570609552.db2.gz LEWVNQIYPXNWSV-UHFFFAOYSA-N 1 2 397.479 1.766 40 0 GDABLO CCOc1ccccc1NC(=O)C[N@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1 ZINC000012113740 570609558 /nfs/dbraw/zinc/60/95/58/570609558.db2.gz LEWVNQIYPXNWSV-UHFFFAOYSA-N 1 2 397.479 1.766 40 0 GDABLO Cn1ccnc1C1(O)CC[NH+](CC(=O)Nc2ccccc2N2CCOCC2)CC1 ZINC000012114535 570609967 /nfs/dbraw/zinc/60/99/67/570609967.db2.gz LTLPXACMAXOMEI-UHFFFAOYSA-N 1 2 399.495 1.179 40 0 GDABLO CCCS(=O)(=O)N[C@H]1C[C@@H](c2nc(-c3ccc4c(c3)OCO4)no2)[N@H+](C)C1 ZINC000020464439 575367003 /nfs/dbraw/zinc/36/70/03/575367003.db2.gz BTOVJQPBGHKHMA-STQMWFEESA-N 1 2 394.453 1.540 40 0 biogenic,in-vitro GDABLO CCCS(=O)(=O)N[C@H]1C[C@@H](c2nc(-c3ccc4c(c3)OCO4)no2)[N@@H+](C)C1 ZINC000020464439 575367007 /nfs/dbraw/zinc/36/70/07/575367007.db2.gz BTOVJQPBGHKHMA-STQMWFEESA-N 1 2 394.453 1.540 40 0 biogenic,in-vitro GDABLO CC(C)(C[NH+]1CCOCC1)NC(=O)[C@@H]1[C@@H]2C(=O)Nc3ccccc3C(=O)[C@]12C ZINC000019576154 210267278 /nfs/dbraw/zinc/26/72/78/210267278.db2.gz ARTMOKPRLYTRDI-XFQAVAEZSA-N 1 2 385.464 1.301 40 0 GDABLO CCN(CC(=O)NCCCn1cc[nH+]c1)S(=O)(=O)c1cc(C)ccc1OC ZINC000016678163 210193972 /nfs/dbraw/zinc/19/39/72/210193972.db2.gz YVZPRRLYFNUXDK-UHFFFAOYSA-N 1 2 394.497 1.417 40 0 GDABLO CCOC(=O)[C@]1(CCSC)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000100420455 530823835 /nfs/dbraw/zinc/82/38/35/530823835.db2.gz WFTMLNLONYZUPY-PFHKOEEOSA-N 1 2 382.507 1.678 40 0 GDABLO CNC(=O)[C@H]1COC2(CN(C(=O)/C=C/c3cccs3)C2)C[N@@H+]1CC1CC1 ZINC000306142487 212055405 /nfs/dbraw/zinc/05/54/05/212055405.db2.gz XAMNSYPNOYXQID-FYCOFBDGSA-N 1 2 375.494 1.199 40 0 GDABLO CNC(=O)[C@H]1COC2(CN(C(=O)/C=C/c3cccs3)C2)C[N@H+]1CC1CC1 ZINC000306142487 212055406 /nfs/dbraw/zinc/05/54/06/212055406.db2.gz XAMNSYPNOYXQID-FYCOFBDGSA-N 1 2 375.494 1.199 40 0 GDABLO O=C(COC1CCCC1)N1CCOC[C@]2(CC[C@@H](C[NH+]3CCOCC3)O2)C1 ZINC000306131544 212049169 /nfs/dbraw/zinc/04/91/69/212049169.db2.gz KIGNJHDNFDZWCE-ICSRJNTNSA-N 1 2 382.501 1.054 40 0 GDABLO COCCN1C(=O)C[C@@H](C(=O)NCCCn2cc[nH+]c2)[C@@H]1c1cccc(C)c1 ZINC000257271443 212014433 /nfs/dbraw/zinc/01/44/33/212014433.db2.gz MYJFVPNWCDQOEG-QUCCMNQESA-N 1 2 384.480 1.934 40 0 GDABLO Cc1[nH+]cc(-c2ccc(C[C@H]3CCCN(S(=O)(=O)N(C)C)C3)cn2)n1C ZINC000257231676 212007559 /nfs/dbraw/zinc/00/75/59/212007559.db2.gz GHUNNTRFBMOQPF-MRXNPFEDSA-N 1 2 377.514 1.851 40 0 GDABLO COc1cc(C)ccc1OCC(=O)N1CCC[C@@H](c2nnc3n2CC[NH2+]C3)C1 ZINC000019711042 210285851 /nfs/dbraw/zinc/28/58/51/210285851.db2.gz JVTUTJSFCNYVQM-OAHLLOKOSA-N 1 2 385.468 1.483 40 0 GDABLO Cc1n[nH]cc1C(=O)N1CCC[C@H]1c1ccc(C(=O)N2CC[NH+](C)CC2)cn1 ZINC000019708251 210283505 /nfs/dbraw/zinc/28/35/05/210283505.db2.gz JHUALPDVQVEOOV-SFHVURJKSA-N 1 2 382.468 1.478 40 0 GDABLO CN(C)c1nc(N2CCOCC2)[nH+]c2c1CCN(C(=O)c1ccc(F)cc1)CC2 ZINC000096254891 136185857 /nfs/dbraw/zinc/18/58/57/136185857.db2.gz RBHZCAULZGOOII-UHFFFAOYSA-N 1 2 399.470 1.759 40 0 GDABLO CCCn1c[nH+]c2c1CN(S(=O)(=O)c1ccc(OC)cc1)[C@H](C(=O)OC)C2 ZINC000015676589 560095644 /nfs/dbraw/zinc/09/56/44/560095644.db2.gz IFCGOTAVFZMTLE-INIZCTEOSA-N 1 2 393.465 1.590 40 0 biogenic,in-vitro GDABLO O=C(C[N@H+]1CCOC[C@@](O)(COc2ccccc2)C1)NCC1CCCCC1 ZINC000585277536 570245308 /nfs/dbraw/zinc/24/53/08/570245308.db2.gz IGWNGYYTYKSYDU-OAQYLSRUSA-N 1 2 376.497 1.825 40 0 GDABLO O=C(C[N@@H+]1CCOC[C@@](O)(COc2ccccc2)C1)NCC1CCCCC1 ZINC000585277536 570245309 /nfs/dbraw/zinc/24/53/09/570245309.db2.gz IGWNGYYTYKSYDU-OAQYLSRUSA-N 1 2 376.497 1.825 40 0 GDABLO O=C(N[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccccc1)C(Cl)(Cl)Cl ZINC000575421125 570307136 /nfs/dbraw/zinc/30/71/36/570307136.db2.gz NAQMEYDZRGLXTN-MNOVXSKESA-N 1 2 385.700 1.428 40 0 GDABLO COc1cc(NC(=O)[C@@H]2CC(=O)Nc3[nH+]c(N)nc(N)c32)c(OC)cc1Cl ZINC000010339053 570789751 /nfs/dbraw/zinc/78/97/51/570789751.db2.gz MUPOMDVSDMTSEP-ZCFIWIBFSA-N 1 2 392.803 1.376 40 0 GDABLO COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)NCCCn1cc[nH+]c1 ZINC000016291314 570921096 /nfs/dbraw/zinc/92/10/96/570921096.db2.gz OXLFSGSJXHUMPU-UHFFFAOYSA-N 1 2 380.470 1.027 40 0 GDABLO C[C@@H]1C[NH+](CC(=O)N2CCC[C@@H]2c2nc(-c3ccncc3)cc(=O)[nH]2)C[C@@H](C)O1 ZINC000019497417 570926704 /nfs/dbraw/zinc/92/67/04/570926704.db2.gz RMAVHMJFOYPHLU-IIDMSEBBSA-N 1 2 397.479 1.605 40 0 GDABLO CC[NH+]1CCN(C(=O)Cn2ccc(=O)c3cc(Br)ccc32)CC1 ZINC000225730930 531030706 /nfs/dbraw/zinc/03/07/06/531030706.db2.gz ISXXGQFKZRRDGW-UHFFFAOYSA-N 1 2 378.270 1.928 40 0 GDABLO COc1ncccc1C[N@H+]1C[C@H]2[C@H](CN(Cc3csc(C)n3)S2(=O)=O)C1 ZINC000306138630 212053395 /nfs/dbraw/zinc/05/33/95/212053395.db2.gz SCOSNSAZFZPBOP-HOCLYGCPSA-N 1 2 394.522 1.501 40 0 GDABLO COc1ncccc1C[N@@H+]1C[C@H]2[C@H](CN(Cc3csc(C)n3)S2(=O)=O)C1 ZINC000306138630 212053398 /nfs/dbraw/zinc/05/33/98/212053398.db2.gz SCOSNSAZFZPBOP-HOCLYGCPSA-N 1 2 394.522 1.501 40 0 GDABLO Cn1cc(C[N@@H+]2C[C@H]3c4cc(-c5cnn(C)c5)ccc4S(=O)(=O)[C@H]3C2)cn1 ZINC000306135350 212051883 /nfs/dbraw/zinc/05/18/83/212051883.db2.gz OODUHMRIZZGKQM-HKUYNNGSSA-N 1 2 383.477 1.576 40 0 GDABLO Cn1cc(C[N@H+]2C[C@H]3c4cc(-c5cnn(C)c5)ccc4S(=O)(=O)[C@H]3C2)cn1 ZINC000306135350 212051885 /nfs/dbraw/zinc/05/18/85/212051885.db2.gz OODUHMRIZZGKQM-HKUYNNGSSA-N 1 2 383.477 1.576 40 0 GDABLO CNC(=O)[C@H]1CN(C(=O)c2ccc(COC)cc2)CC[N@@H+]1CCc1ccccc1 ZINC000257313442 212021457 /nfs/dbraw/zinc/02/14/57/212021457.db2.gz USLDCXNYGKIORN-OAQYLSRUSA-N 1 2 395.503 1.948 40 0 GDABLO CNC(=O)[C@H]1CN(C(=O)c2ccc(COC)cc2)CC[N@H+]1CCc1ccccc1 ZINC000257313442 212021462 /nfs/dbraw/zinc/02/14/62/212021462.db2.gz USLDCXNYGKIORN-OAQYLSRUSA-N 1 2 395.503 1.948 40 0 GDABLO Cc1c2cccc(F)c2oc1C(=O)N1CC[C@@H](O)[C@@H](O)[C@H]([NH+]2CCOCC2)C1 ZINC000257246269 212010051 /nfs/dbraw/zinc/01/00/51/212010051.db2.gz ITJNPSXLSHGPNJ-ZACQAIPSSA-N 1 2 392.427 1.149 40 0 GDABLO Cc1ccc(S(=O)(=O)N2Cc3c(Cn4cc[nH+]c4)nn(C)c3C2)cc1F ZINC000096084496 211300074 /nfs/dbraw/zinc/30/00/74/211300074.db2.gz FQVUMUNYNQVGNJ-UHFFFAOYSA-N 1 2 375.429 1.817 40 0 GDABLO Cc1oncc1C(=O)NCc1cc(=O)n2c(n1)C[N@H+](Cc1ccsc1)CCC2 ZINC000096059665 211299364 /nfs/dbraw/zinc/29/93/64/211299364.db2.gz NIPBWSFJGVFATF-UHFFFAOYSA-N 1 2 399.476 1.937 40 0 GDABLO Cc1oncc1C(=O)NCc1cc(=O)n2c(n1)C[N@@H+](Cc1ccsc1)CCC2 ZINC000096059665 211299359 /nfs/dbraw/zinc/29/93/59/211299359.db2.gz NIPBWSFJGVFATF-UHFFFAOYSA-N 1 2 399.476 1.937 40 0 GDABLO Nc1nc(N2CCCCC2)[nH+]c2c1[C@H](C(=O)NCc1ccccc1)CC(=O)N2 ZINC000020635710 210353515 /nfs/dbraw/zinc/35/35/15/210353515.db2.gz KFSNZBRMYVDJRA-CQSZACIVSA-N 1 2 380.452 1.791 40 0 GDABLO CCc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2[nH+]c(N3CCOCC3)nc(N)c21 ZINC000020635757 210354351 /nfs/dbraw/zinc/35/43/51/210354351.db2.gz PQWUBXRIBIYJKW-CYBMUJFWSA-N 1 2 396.451 1.522 40 0 GDABLO Nc1nc(N2CCCC2)[nH+]c2c1[C@@H](C(=O)NCCc1ccccc1)CC(=O)N2 ZINC000019820005 210300561 /nfs/dbraw/zinc/30/05/61/210300561.db2.gz WKGMBEZJKJLWLD-AWEZNQCLSA-N 1 2 380.452 1.444 40 0 GDABLO Cc1[nH]c2cc(NC(=O)c3cccn(CC(=O)N4CCCC4)c3=O)ccc2[nH+]1 ZINC000019751340 210293970 /nfs/dbraw/zinc/29/39/70/210293970.db2.gz GJQLKAVDBRZAJX-UHFFFAOYSA-N 1 2 379.420 1.908 40 0 GDABLO CNc1nc([C@@H]2CCC[N@@H+]2CC(=O)N2CCCC2)nc2c1CCN(C(C)=O)C2 ZINC000019708629 210283014 /nfs/dbraw/zinc/28/30/14/210283014.db2.gz QFNSDJFGRNNEKH-KRWDZBQOSA-N 1 2 386.500 1.182 40 0 GDABLO CNc1nc([C@@H]2CCC[N@H+]2CC(=O)N2CCCC2)nc2c1CCN(C(C)=O)C2 ZINC000019708629 210283019 /nfs/dbraw/zinc/28/30/19/210283019.db2.gz QFNSDJFGRNNEKH-KRWDZBQOSA-N 1 2 386.500 1.182 40 0 GDABLO Cc1nn(C)cc1S(=O)(=O)N1C[C@H](C[NH+]2CCOCC2)c2ccccc21 ZINC000019583952 210270546 /nfs/dbraw/zinc/27/05/46/210270546.db2.gz HQJHKHMPVBDLMJ-HNNXBMFYSA-N 1 2 376.482 1.353 40 0 GDABLO COC(=O)[C@]1(Cc2ccccc2)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000019586889 210271849 /nfs/dbraw/zinc/27/18/49/210271849.db2.gz PWTAHIRMPVWDQI-ZKNHNOBHSA-N 1 2 384.457 1.778 40 0 GDABLO CCCCNS(=O)(=O)c1ccc(OCC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000408592855 528554683 /nfs/dbraw/zinc/55/46/83/528554683.db2.gz MDYWCKDHKQQSMY-UHFFFAOYSA-N 1 2 394.497 1.547 40 0 GDABLO CCOc1ccc(S(=O)(=O)NCCC[NH+]2CCOCC2)cc1NC(C)=O ZINC000408593639 528580044 /nfs/dbraw/zinc/58/00/44/528580044.db2.gz MXGTVYLYVWAXCZ-UHFFFAOYSA-N 1 2 385.486 1.044 40 0 GDABLO O=C(c1ccccc1)N1C[C@H]2C[C@@H](O)CN2C2(C[NH+](Cc3ccccc3)C2)C1 ZINC000514289238 560033191 /nfs/dbraw/zinc/03/31/91/560033191.db2.gz KAOMTLREQYWDSS-NHCUHLMSSA-N 1 2 377.488 1.832 40 0 biogenic,in-vitro GDABLO O=S1(=O)CC[C@@H]([N@H+](C[C@H](O)CO)C(c2ccccc2)c2ccccc2)C1 ZINC000575422899 570309238 /nfs/dbraw/zinc/30/92/38/570309238.db2.gz XMZHZHXGZDNHJQ-MOPGFXCFSA-N 1 2 375.490 1.618 40 0 GDABLO O=S1(=O)CC[C@@H]([N@@H+](C[C@H](O)CO)C(c2ccccc2)c2ccccc2)C1 ZINC000575422899 570309241 /nfs/dbraw/zinc/30/92/41/570309241.db2.gz XMZHZHXGZDNHJQ-MOPGFXCFSA-N 1 2 375.490 1.618 40 0 GDABLO Cc1cc(C)cc(N(CCCC(=O)NCC[NH+]2CCOCC2)S(C)(=O)=O)c1 ZINC000222571916 570415066 /nfs/dbraw/zinc/41/50/66/570415066.db2.gz OEXKZPXBPOQPLO-UHFFFAOYSA-N 1 2 397.541 1.298 40 0 GDABLO CCOC(=O)[C@]1(CCSC)[NH2+][C@@H](c2cccc(C)c2)[C@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000004884223 570415317 /nfs/dbraw/zinc/41/53/17/570415317.db2.gz WTOCGNZAHARIQO-ZKNHNOBHSA-N 1 2 390.505 1.925 40 0 GDABLO CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000027773341 570506587 /nfs/dbraw/zinc/50/65/87/570506587.db2.gz KIHLVPSMSJZHKB-UHFFFAOYSA-N 1 2 397.541 1.098 40 0 GDABLO Cc1ccccc1N(CCCC(=O)NCCCn1cc[nH+]c1)S(C)(=O)=O ZINC000225624418 570595764 /nfs/dbraw/zinc/59/57/64/570595764.db2.gz POYFMYRQZQIIFU-UHFFFAOYSA-N 1 2 378.498 1.944 40 0 GDABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)CC1 ZINC000008560410 570771246 /nfs/dbraw/zinc/77/12/46/570771246.db2.gz SYGLJDHRVSYZMD-UHFFFAOYSA-N 1 2 381.498 1.257 40 0 GDABLO C[C@H](c1ccccc1)N1CCc2oc(C(=O)NC[C@H]3C[N@H+](C)CCO3)nc2C1 ZINC000585111926 570942452 /nfs/dbraw/zinc/94/24/52/570942452.db2.gz JGUXUUJPOMYUHK-WBVHZDCISA-N 1 2 384.480 1.854 40 0 GDABLO C[C@H](c1ccccc1)N1CCc2oc(C(=O)NC[C@H]3C[N@@H+](C)CCO3)nc2C1 ZINC000585111926 570942454 /nfs/dbraw/zinc/94/24/54/570942454.db2.gz JGUXUUJPOMYUHK-WBVHZDCISA-N 1 2 384.480 1.854 40 0 GDABLO CC(C)[C@@H]([NH2+]Cc1nc2ccccc2n1C)c1cc(=O)[nH]c(N2CCOCC2)n1 ZINC000019445551 210248588 /nfs/dbraw/zinc/24/85/88/210248588.db2.gz OBWYDKPMYXXTSE-HXUWFJFHSA-N 1 2 396.495 1.980 40 0 GDABLO Cc1ccc(C)c([C@H](O)C[NH+]2CCN(S(=O)(=O)N3CCCCC3)CC2)c1 ZINC000019132129 210228203 /nfs/dbraw/zinc/22/82/03/210228203.db2.gz ZJSRVVGXBMNAEZ-LJQANCHMSA-N 1 2 381.542 1.685 40 0 GDABLO Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3[nH+]c(N4CCOCC4)nc(N)c32)cc1 ZINC000013637539 210073691 /nfs/dbraw/zinc/07/36/91/210073691.db2.gz GXENOTWZCFLYSO-CYBMUJFWSA-N 1 2 382.424 1.268 40 0 GDABLO [NH2+]=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(I)c1 ZINC000026505363 209191496 /nfs/dbraw/zinc/19/14/96/209191496.db2.gz RKQYXKIDLNABTO-ZJUUUORDSA-N 1 2 394.259 1.945 40 0 GDABLO Cc1nc(CN2CC[C@@]3(CN(C(=O)C4CC4)C[C@H]3c3cn(C)c[nH+]3)C2=O)cs1 ZINC000306138542 212053616 /nfs/dbraw/zinc/05/36/16/212053616.db2.gz SAEQWHXHZPURPO-JXFKEZNVSA-N 1 2 399.520 1.940 40 0 GDABLO CC(C)N1C[C@@]2(CC[N@H+](Cc3cnn(C)c3)C2)Oc2ccccc2S1(=O)=O ZINC000306139189 212053087 /nfs/dbraw/zinc/05/30/87/212053087.db2.gz SRTZEQCFVJNBIE-IBGZPJMESA-N 1 2 390.509 1.856 40 0 GDABLO CC(C)N1C[C@@]2(CC[N@@H+](Cc3cnn(C)c3)C2)Oc2ccccc2S1(=O)=O ZINC000306139189 212053090 /nfs/dbraw/zinc/05/30/90/212053090.db2.gz SRTZEQCFVJNBIE-IBGZPJMESA-N 1 2 390.509 1.856 40 0 GDABLO Cn1cc(C[N@@H+]2C[C@H]3c4cc(-c5cnn(C)c5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306135353 212051501 /nfs/dbraw/zinc/05/15/01/212051501.db2.gz OODUHMRIZZGKQM-PKOBYXMFSA-N 1 2 383.477 1.576 40 0 GDABLO Cn1cc(C[N@H+]2C[C@H]3c4cc(-c5cnn(C)c5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306135353 212051506 /nfs/dbraw/zinc/05/15/06/212051506.db2.gz OODUHMRIZZGKQM-PKOBYXMFSA-N 1 2 383.477 1.576 40 0 GDABLO CCOC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2Br)CC1 ZINC000026781816 209178174 /nfs/dbraw/zinc/17/81/74/209178174.db2.gz JJFORZWYQQFNKV-ZDUSSCGKSA-N 1 2 387.274 1.963 40 0 GDABLO O=C(NC[C@@]1(O)CCCN(c2cnccn2)C1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000257229517 212007478 /nfs/dbraw/zinc/00/74/78/212007478.db2.gz FYJRZBZURXZAPD-NRFANRHFSA-N 1 2 392.463 1.483 40 0 GDABLO CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](c1ccccc1C)[NH2+][C@@]2(CCSC)C(=O)OC ZINC000100420882 211385933 /nfs/dbraw/zinc/38/59/33/211385933.db2.gz SHMAQEIEMVMZJQ-ZFCANOHDSA-N 1 2 390.505 1.925 40 0 GDABLO CN(C)C(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1CN(C(=O)c1cnccn1)CCC2 ZINC000096056133 211299513 /nfs/dbraw/zinc/29/95/13/211299513.db2.gz YVGSCLWUXZTXNF-KKSFZXQISA-N 1 2 394.479 1.319 40 0 GDABLO CCOC(=O)c1c(NC(=O)C[NH+]2CCC(C(N)=O)CC2)sc2c1CCCC2 ZINC000021847161 210394976 /nfs/dbraw/zinc/39/49/76/210394976.db2.gz PNTPDTORVGVUFO-UHFFFAOYSA-N 1 2 393.509 1.939 40 0 GDABLO CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3[nH+]c(N4CCOCC4)nc(N)c32)cc1 ZINC000020674086 210355552 /nfs/dbraw/zinc/35/55/52/210355552.db2.gz HEMDSGPSWMESKQ-AWEZNQCLSA-N 1 2 396.451 1.522 40 0 GDABLO Nc1nc(N2CCCCC2)[nH+]c2c1[C@H](C(=O)NCCc1ccccc1)CC(=O)N2 ZINC000020674071 210355525 /nfs/dbraw/zinc/35/55/25/210355525.db2.gz GJEMUVQJYVUXHF-OAHLLOKOSA-N 1 2 394.479 1.834 40 0 GDABLO CS(=O)(=O)N1C[C@H](C(=O)NCCCn2cc[nH+]c2)Oc2ccc(Cl)cc21 ZINC000020457598 210337643 /nfs/dbraw/zinc/33/76/43/210337643.db2.gz WLPIHNXNFBWMLO-OAHLLOKOSA-N 1 2 398.872 1.270 40 0 GDABLO C[N@@H+]1CCC[C@H]1c1nnc2n1CCN(S(=O)(=O)c1ccccc1Cl)CC2 ZINC000019706519 210283678 /nfs/dbraw/zinc/28/36/78/210283678.db2.gz AIJRQZUUDGRJJM-AWEZNQCLSA-N 1 2 395.916 1.945 40 0 GDABLO C[N@H+]1CCC[C@H]1c1nnc2n1CCN(S(=O)(=O)c1ccccc1Cl)CC2 ZINC000019706519 210283684 /nfs/dbraw/zinc/28/36/84/210283684.db2.gz AIJRQZUUDGRJJM-AWEZNQCLSA-N 1 2 395.916 1.945 40 0 GDABLO C[N@H+]1CCc2nc(NC(=O)CCc3ccc(S(N)(=O)=O)cc3)sc2C1 ZINC000019655433 210277957 /nfs/dbraw/zinc/27/79/57/210277957.db2.gz PNWPBHHKZJEOEG-UHFFFAOYSA-N 1 2 380.495 1.350 40 0 GDABLO C[N@@H+]1CCc2nc(NC(=O)CCc3ccc(S(N)(=O)=O)cc3)sc2C1 ZINC000019655433 210277954 /nfs/dbraw/zinc/27/79/54/210277954.db2.gz PNWPBHHKZJEOEG-UHFFFAOYSA-N 1 2 380.495 1.350 40 0 GDABLO CC[NH+]1CCN(C2=[NH+][C@H](C(=O)Nc3cccc(C(F)(F)F)c3)C=C([O-])N2)CC1 ZINC000014606953 221313240 /nfs/dbraw/zinc/31/32/40/221313240.db2.gz ZLPHOGMIYAWPHY-AWEZNQCLSA-N 1 2 397.401 1.526 40 0 GDABLO C[C@H]1CCCN(c2ncc3c(n2)[C@H]2C[N@@H+](CC4CC4)C[C@H]2S(=O)(=O)C3)C1 ZINC000096251998 136185658 /nfs/dbraw/zinc/18/56/58/136185658.db2.gz BRHHSUUXMLCBTD-RRQGHBQHSA-N 1 2 376.526 1.819 40 0 GDABLO C[C@H]1CCCN(c2ncc3c(n2)[C@H]2C[N@H+](CC4CC4)C[C@H]2S(=O)(=O)C3)C1 ZINC000096251998 136185659 /nfs/dbraw/zinc/18/56/59/136185659.db2.gz BRHHSUUXMLCBTD-RRQGHBQHSA-N 1 2 376.526 1.819 40 0 GDABLO CC(=O)c1cccc(N(CC(=O)NCCCn2cc[nH+]c2)S(C)(=O)=O)c1 ZINC000408620141 527358476 /nfs/dbraw/zinc/35/84/76/527358476.db2.gz NBRZJZZBHCUIOP-UHFFFAOYSA-N 1 2 378.454 1.058 40 0 GDABLO CC(C)NS(=O)(=O)c1ccc(CCC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000408592991 527757639 /nfs/dbraw/zinc/75/76/39/527757639.db2.gz LKFAQRAJMNCCIS-UHFFFAOYSA-N 1 2 378.498 1.709 40 0 GDABLO O[C@@H]1C[C@H]2C[N@H+](Cc3cccnc3)CC3(CN(Cc4ccc(F)cc4)C3)N2C1 ZINC000514290062 560030890 /nfs/dbraw/zinc/03/08/90/560030890.db2.gz SDXVPZMDIUTWJO-LEWJYISDSA-N 1 2 382.483 1.726 40 0 biogenic,in-vitro GDABLO O[C@@H]1C[C@H]2C[N@@H+](Cc3cccnc3)CC3(CN(Cc4ccc(F)cc4)C3)N2C1 ZINC000514290062 560030892 /nfs/dbraw/zinc/03/08/92/560030892.db2.gz SDXVPZMDIUTWJO-LEWJYISDSA-N 1 2 382.483 1.726 40 0 biogenic,in-vitro GDABLO Cc1ccccc1C(=O)N[C@@H]1[C@@H](c2ccc(N3CCOCC3)[nH+]c2)C[C@@H](O)[C@H]1O ZINC000077261836 560046709 /nfs/dbraw/zinc/04/67/09/560046709.db2.gz VLXNOLBDBFQBGQ-VURPSTOHSA-N 1 2 397.475 1.234 40 0 biogenic,in-vitro GDABLO CC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)NCC[NH+]2CCOCC2)C[C@H]1C(C)C ZINC000030880018 560090006 /nfs/dbraw/zinc/09/00/06/560090006.db2.gz CGEONKUMQKMFQR-UFYCRDLUSA-N 1 2 379.545 1.816 40 0 biogenic,in-vitro GDABLO COc1ccc([C@H](CN2C(=O)N[C@H]3CS(=O)(=O)C[C@@H]32)[NH+]2CCCC2)cc1 ZINC000575424102 570309662 /nfs/dbraw/zinc/30/96/62/570309662.db2.gz SNZWJBHXEJGWCW-ULQDDVLXSA-N 1 2 379.482 1.023 40 0 GDABLO C[N@@H+]1C[C@@H]2C[C@H]1C(=O)NC[C@@H]1CCC[C@@H](CCOc3ccccc3C(=O)N2)O1 ZINC000514287647 570403931 /nfs/dbraw/zinc/40/39/31/570403931.db2.gz UCHHPUTWKZUIPY-OVWQWFNUSA-N 1 2 387.480 1.326 40 0 GDABLO C[N@H+]1C[C@@H]2C[C@H]1C(=O)NC[C@@H]1CCC[C@@H](CCOc3ccccc3C(=O)N2)O1 ZINC000514287647 570403935 /nfs/dbraw/zinc/40/39/35/570403935.db2.gz UCHHPUTWKZUIPY-OVWQWFNUSA-N 1 2 387.480 1.326 40 0 GDABLO CNC(=O)[C@H]1COC2(CN(C(=O)c3cn(C)c4ccccc34)C2)C[N@@H+]1CC1CC1 ZINC000575406272 570522393 /nfs/dbraw/zinc/52/23/93/570522393.db2.gz YWTUXBDLGIQFKZ-LJQANCHMSA-N 1 2 396.491 1.230 40 0 GDABLO CNC(=O)[C@H]1COC2(CN(C(=O)c3cn(C)c4ccccc34)C2)C[N@H+]1CC1CC1 ZINC000575406272 570522394 /nfs/dbraw/zinc/52/23/94/570522394.db2.gz YWTUXBDLGIQFKZ-LJQANCHMSA-N 1 2 396.491 1.230 40 0 GDABLO CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000408594401 529375053 /nfs/dbraw/zinc/37/50/53/529375053.db2.gz QHWLKGQLJADJHM-OAHLLOKOSA-N 1 2 394.497 1.545 40 0 GDABLO CC(=O)N1CCc2nc(C3CC[NH+](CC(=O)Nc4cc(C)on4)CC3)ncc2C1 ZINC000019119513 210225812 /nfs/dbraw/zinc/22/58/12/210225812.db2.gz HKWSQZHXKBECKQ-UHFFFAOYSA-N 1 2 398.467 1.496 40 0 GDABLO CCOC(=O)[C@@]1(CCSC)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000100420452 530823851 /nfs/dbraw/zinc/82/38/51/530823851.db2.gz WFTMLNLONYZUPY-LKQDWFRTSA-N 1 2 382.507 1.678 40 0 GDABLO Cc1n[nH]cc1C[N@@H+]1CCO[C@@](COc2cccc(Cl)c2)(CC(N)=O)C1 ZINC000257318236 212024424 /nfs/dbraw/zinc/02/44/24/212024424.db2.gz VNAXHFNDUFFUNF-SFHVURJKSA-N 1 2 378.860 1.897 40 0 GDABLO Cc1n[nH]cc1C[N@H+]1CCO[C@@](COc2cccc(Cl)c2)(CC(N)=O)C1 ZINC000257318236 212024428 /nfs/dbraw/zinc/02/44/28/212024428.db2.gz VNAXHFNDUFFUNF-SFHVURJKSA-N 1 2 378.860 1.897 40 0 GDABLO CCn1c(=O)oc2cc(NC(=O)C[N@@H+]3CC[C@@]4(CCCO4)[C@@H](O)C3)ccc21 ZINC000257289571 212017796 /nfs/dbraw/zinc/01/77/96/212017796.db2.gz PZGHKDKCJLNYCS-LPHOPBHVSA-N 1 2 375.425 1.169 40 0 GDABLO CCn1c(=O)oc2cc(NC(=O)C[N@H+]3CC[C@@]4(CCCO4)[C@@H](O)C3)ccc21 ZINC000257289571 212017799 /nfs/dbraw/zinc/01/77/99/212017799.db2.gz PZGHKDKCJLNYCS-LPHOPBHVSA-N 1 2 375.425 1.169 40 0 GDABLO CC(C)(C)OC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCOCC1 ZINC000257220884 212006242 /nfs/dbraw/zinc/00/62/42/212006242.db2.gz DMPZPVRTEZKWBC-BDXSIMOUSA-N 1 2 396.459 1.932 40 0 GDABLO COc1ccc(S(=O)(=O)N2CCC3(CC2)C(=O)NCC[N@H+]3CC(C)C)cc1 ZINC000096230186 211321136 /nfs/dbraw/zinc/32/11/36/211321136.db2.gz MEGGHQROYWMKCP-UHFFFAOYSA-N 1 2 395.525 1.306 40 0 GDABLO COc1ccc(S(=O)(=O)N2CCC3(CC2)C(=O)NCC[N@@H+]3CC(C)C)cc1 ZINC000096230186 211321142 /nfs/dbraw/zinc/32/11/42/211321142.db2.gz MEGGHQROYWMKCP-UHFFFAOYSA-N 1 2 395.525 1.306 40 0 GDABLO CCn1cncc1C(=O)N1CCC[C@H]1c1ccc(C(=O)N2CC[NH+](C)CC2)cn1 ZINC000019752820 210294160 /nfs/dbraw/zinc/29/41/60/210294160.db2.gz IFPNAWFAXRPZHR-SFHVURJKSA-N 1 2 396.495 1.663 40 0 GDABLO Cc1[nH+]c2ccccc2n1CCCC(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000019719283 210288955 /nfs/dbraw/zinc/28/89/55/210288955.db2.gz LHNDIJBADURLLJ-UHFFFAOYSA-N 1 2 383.452 1.668 40 0 GDABLO C[NH+]1CCN(C(=O)c2ccc([C@@H]3CCCN3C(=O)c3csnn3)nc2)CC1 ZINC000019708211 210283237 /nfs/dbraw/zinc/28/32/37/210283237.db2.gz PARBBXWLASCYDI-INIZCTEOSA-N 1 2 386.481 1.298 40 0 GDABLO CC(=O)N1CCN(c2nc(N(C)C)nc3c2C[N@H+](Cc2ccccc2)CC3)CC1 ZINC000012183248 221163010 /nfs/dbraw/zinc/16/30/10/221163010.db2.gz LIOVBYYGHPCCNZ-UHFFFAOYSA-N 1 2 394.523 1.769 40 0 GDABLO CC(=O)N1CCN(c2nc(N(C)C)nc3c2C[N@@H+](Cc2ccccc2)CC3)CC1 ZINC000012183248 221163012 /nfs/dbraw/zinc/16/30/12/221163012.db2.gz LIOVBYYGHPCCNZ-UHFFFAOYSA-N 1 2 394.523 1.769 40 0 GDABLO CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000408588159 526334223 /nfs/dbraw/zinc/33/42/23/526334223.db2.gz CSMYFEXTJUUEHY-UHFFFAOYSA-N 1 2 397.541 1.144 40 0 GDABLO CCCNS(=O)(=O)c1ccc(CCC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000408595605 528531967 /nfs/dbraw/zinc/53/19/67/528531967.db2.gz QWJCOQSBCHUXSW-UHFFFAOYSA-N 1 2 378.498 1.711 40 0 GDABLO CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000408594400 529181363 /nfs/dbraw/zinc/18/13/63/529181363.db2.gz QHWLKGQLJADJHM-HNNXBMFYSA-N 1 2 394.497 1.545 40 0 GDABLO O=C(Cc1ccccc1)N1C[C@@H]2C[C@@H](O)C[N@H+]2C2(CN(Cc3nccs3)C2)C1 ZINC000514290070 560030816 /nfs/dbraw/zinc/03/08/16/560030816.db2.gz SFVNPLVFLJFMRN-ZWKOTPCHSA-N 1 2 398.532 1.218 40 0 biogenic,in-vitro GDABLO O=C(Cc1ccccc1)N1C[C@@H]2C[C@@H](O)C[N@@H+]2C2(CN(Cc3nccs3)C2)C1 ZINC000514290070 560030817 /nfs/dbraw/zinc/03/08/17/560030817.db2.gz SFVNPLVFLJFMRN-ZWKOTPCHSA-N 1 2 398.532 1.218 40 0 biogenic,in-vitro GDABLO CC(C)c1ccc(S(=O)(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000575421964 570308157 /nfs/dbraw/zinc/30/81/57/570308157.db2.gz JYQUPBXUWAXRFI-INIZCTEOSA-N 1 2 388.555 1.549 40 0 GDABLO Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NC3CC[NH+](C)CC3)s2)c1 ZINC000222571064 570415027 /nfs/dbraw/zinc/41/50/27/570415027.db2.gz GUJZNBFNKBNLTD-UHFFFAOYSA-N 1 2 395.510 1.471 40 0 GDABLO CCNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000026099802 570445884 /nfs/dbraw/zinc/44/58/84/570445884.db2.gz ZHKZALFYZXRYNZ-UHFFFAOYSA-N 1 2 388.537 1.865 40 0 GDABLO O=C(C[NH+]1CCC(O)(c2ccccn2)CC1)Nc1ccccc1N1CCOCC1 ZINC000012114534 570610022 /nfs/dbraw/zinc/61/00/22/570610022.db2.gz OMRASAVXDDJVTR-UHFFFAOYSA-N 1 2 396.491 1.840 40 0 GDABLO COc1cc(N2CCC(C)CC2)nc(NC(=S)NCC[NH+]2CCOCC2)n1 ZINC000225902841 570632268 /nfs/dbraw/zinc/63/22/68/570632268.db2.gz BDRUTLIHDNFGBI-UHFFFAOYSA-N 1 2 394.545 1.340 40 0 GDABLO COc1cc(N2CCC[C@H](C)C2)nc(NC(=S)NCC[NH+]2CCOCC2)n1 ZINC000260742741 570702415 /nfs/dbraw/zinc/70/24/15/570702415.db2.gz YPURSHKQQKJNLK-AWEZNQCLSA-N 1 2 394.545 1.340 40 0 GDABLO CS(=O)(=O)NCC[C@H]1C[N@H+](CCOCc2ccccc2)Cc2ccnn21 ZINC000247555703 570715672 /nfs/dbraw/zinc/71/56/72/570715672.db2.gz XFEBXFSWEXQXSF-SFHVURJKSA-N 1 2 378.498 1.396 40 0 GDABLO CS(=O)(=O)NCC[C@H]1C[N@@H+](CCOCc2ccccc2)Cc2ccnn21 ZINC000247555703 570715676 /nfs/dbraw/zinc/71/56/76/570715676.db2.gz XFEBXFSWEXQXSF-SFHVURJKSA-N 1 2 378.498 1.396 40 0 GDABLO CN(C)c1cc(N2CC3(C2)C[C@H](OCC(=O)N2CCCC2)CS3)nc[nH+]1 ZINC000248146765 570721711 /nfs/dbraw/zinc/72/17/11/570721711.db2.gz VYYZHKYAUWLDGY-AWEZNQCLSA-N 1 2 377.514 1.246 40 0 GDABLO CN(C)c1cc(N2CC3(C2)C[C@H](OCC(=O)N2CCCC2)CS3)[nH+]cn1 ZINC000248146765 570721715 /nfs/dbraw/zinc/72/17/15/570721715.db2.gz VYYZHKYAUWLDGY-AWEZNQCLSA-N 1 2 377.514 1.246 40 0 GDABLO C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000012481557 570807156 /nfs/dbraw/zinc/80/71/56/570807156.db2.gz NSTJLCQVEVEDON-CRAIPNDOSA-N 1 2 379.526 1.931 40 0 GDABLO Cc1ccc(CN2CCc3oc(C(=O)NC[C@H]4C[N@H+](C)CCO4)nc3C2)cc1 ZINC000585112416 570942685 /nfs/dbraw/zinc/94/26/85/570942685.db2.gz PNGCCMKKBUIZJT-KRWDZBQOSA-N 1 2 384.480 1.602 40 0 GDABLO Cc1ccc(CN2CCc3oc(C(=O)NC[C@H]4C[N@@H+](C)CCO4)nc3C2)cc1 ZINC000585112416 570942687 /nfs/dbraw/zinc/94/26/87/570942687.db2.gz PNGCCMKKBUIZJT-KRWDZBQOSA-N 1 2 384.480 1.602 40 0 GDABLO O=C(COC[C@H]1COc2ccccc2O1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000019375748 210246178 /nfs/dbraw/zinc/24/61/78/210246178.db2.gz KMXJMYHWXGHOFK-KRWDZBQOSA-N 1 2 383.448 1.977 40 0 GDABLO C[NH+]1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)CC1 ZINC000120332837 530069795 /nfs/dbraw/zinc/06/97/95/530069795.db2.gz ASUZNLJCANHXAA-UHFFFAOYSA-N 1 2 385.917 1.902 40 0 GDABLO [NH2+]=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(I)c1 ZINC000026505369 209191486 /nfs/dbraw/zinc/19/14/86/209191486.db2.gz RKQYXKIDLNABTO-UWVGGRQHSA-N 1 2 394.259 1.945 40 0 GDABLO CCS(=O)(=O)CC[N@H+]1Cc2ccnn2C[C@@H](CCNc2ncccn2)C1 ZINC000306126977 212044144 /nfs/dbraw/zinc/04/41/44/212044144.db2.gz FKUSPGVZLHGUMC-HNNXBMFYSA-N 1 2 378.502 1.042 40 0 GDABLO CCS(=O)(=O)CC[N@@H+]1Cc2ccnn2C[C@@H](CCNc2ncccn2)C1 ZINC000306126977 212044149 /nfs/dbraw/zinc/04/41/49/212044149.db2.gz FKUSPGVZLHGUMC-HNNXBMFYSA-N 1 2 378.502 1.042 40 0 GDABLO Cc1ccc2nc(C(=O)N3CCC[C@@H](CC(=O)NCCn4cc[nH+]c4)C3)cn2c1 ZINC000257335104 212026579 /nfs/dbraw/zinc/02/65/79/212026579.db2.gz YIRITAJMODZTHX-KRWDZBQOSA-N 1 2 394.479 1.898 40 0 GDABLO Cc1cc(C(F)F)n2nc(C(=O)N(C)[C@@H]3CC[C@@H](n4cc[nH+]c4)[C@@H]3O)nc2n1 ZINC000257287574 212018585 /nfs/dbraw/zinc/01/85/85/212018585.db2.gz PQNGBRKCEKSAIL-NQBHXWOUSA-N 1 2 391.382 1.403 40 0 GDABLO OCCNc1nc(NC[C@H]2CCCO2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328962468 209154692 /nfs/dbraw/zinc/15/46/92/209154692.db2.gz BHZQQHJXTGJTJN-CQSZACIVSA-N 1 2 398.385 1.881 40 0 GDABLO Cc1cc(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)nc(N2CCCCC2)n1 ZINC000019718864 210288215 /nfs/dbraw/zinc/28/82/15/210288215.db2.gz DHCPJGUVCSWRNU-SFHVURJKSA-N 1 2 375.517 1.862 40 0 GDABLO C[N@@H+]1CCc2nc([C@@H]3CCCN(C(=O)c4cc(C5CC5)[nH]n4)C3)[nH]c(=O)c2C1 ZINC000019590263 210271813 /nfs/dbraw/zinc/27/18/13/210271813.db2.gz CFHKTYXAVJHJRA-CYBMUJFWSA-N 1 2 382.468 1.790 40 0 GDABLO C[N@H+]1CCc2nc([C@@H]3CCCN(C(=O)c4cc(C5CC5)[nH]n4)C3)[nH]c(=O)c2C1 ZINC000019590263 210271818 /nfs/dbraw/zinc/27/18/18/210271818.db2.gz CFHKTYXAVJHJRA-CYBMUJFWSA-N 1 2 382.468 1.790 40 0 GDABLO CN(C)c1nc(N2CCOCC2)[nH+]c2c1CCN(C(=O)CC(C)(C)C)CC2 ZINC000096254935 136185881 /nfs/dbraw/zinc/18/58/81/136185881.db2.gz JDDSIGCLFRIVHE-UHFFFAOYSA-N 1 2 375.517 1.743 40 0 GDABLO CCCNC(=O)c1cc(S(=O)(=O)NCCC[NH+]2CCOCC2)ccc1C ZINC000408623712 528443534 /nfs/dbraw/zinc/44/35/34/528443534.db2.gz POCKFXNRWDWUGO-UHFFFAOYSA-N 1 2 383.514 1.135 40 0 GDABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC(C)C)cc2)CC1 ZINC000408605743 529150485 /nfs/dbraw/zinc/15/04/85/529150485.db2.gz NJQKGUONRGVLLA-HNNXBMFYSA-N 1 2 383.514 1.305 40 0 GDABLO c1cncc(-c2cc(NCC[NH+]3CCOCC3)nc(NC3CCCCC3)n2)c1 ZINC000329043638 570214812 /nfs/dbraw/zinc/21/48/12/570214812.db2.gz STALNRXLUJHLDL-UHFFFAOYSA-N 1 2 382.512 1.871 40 0 GDABLO O=C(/C=C/C[NH+]1CCOCC1)N1CC[C@H](O)[C@H](Cc2ccc(Cl)cc2)C1 ZINC000585291950 570260391 /nfs/dbraw/zinc/26/03/91/570260391.db2.gz UDAFEJIHDIOIGW-BLCBEDNYSA-N 1 2 378.900 1.980 40 0 GDABLO CN(C)S(=O)(=O)N1CCC(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000216393582 570300717 /nfs/dbraw/zinc/30/07/17/570300717.db2.gz BITLLWPBZPVEHS-UHFFFAOYSA-N 1 2 391.497 1.007 40 0 GDABLO COc1ccc([C@H](CNC(=O)N[C@@]2(C)CCS(=O)(=O)C2)[NH+]2CCCC2)cc1 ZINC000575421071 570306960 /nfs/dbraw/zinc/30/69/60/570306960.db2.gz HNFJFOZSDLRNIY-HKUYNNGSSA-N 1 2 395.525 1.709 40 0 GDABLO Cc1cc(C)c(S(=O)(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)cc1C ZINC000575420595 570307603 /nfs/dbraw/zinc/30/76/03/570307603.db2.gz CNOHHPAQFLDXHS-INIZCTEOSA-N 1 2 388.555 1.351 40 0 GDABLO COc1ccc([C@H](CN2C(=S)N[C@@H]3CS(=O)(=O)C[C@H]32)[NH+]2CCCC2)cc1 ZINC000575420173 570307688 /nfs/dbraw/zinc/30/76/88/570307688.db2.gz ABLBYIBMYQNWFH-IXDOHACOSA-N 1 2 395.550 1.188 40 0 GDABLO C[NH+]1CCN(S(=O)(=O)c2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2)CC1 ZINC000027529554 570435129 /nfs/dbraw/zinc/43/51/29/570435129.db2.gz FPKGBYKNSQJROE-IAGOWNOFSA-N 1 2 391.493 1.302 40 0 GDABLO CNC(=O)[C@H]1COC2(CN(C(=O)c3cc4c(s3)CCC4)C2)C[N@@H+]1CC1CC1 ZINC000575406726 570522904 /nfs/dbraw/zinc/52/29/04/570522904.db2.gz ZXOINISIPWJQHE-OAHLLOKOSA-N 1 2 389.521 1.288 40 0 GDABLO CNC(=O)[C@H]1COC2(CN(C(=O)c3cc4c(s3)CCC4)C2)C[N@H+]1CC1CC1 ZINC000575406726 570522906 /nfs/dbraw/zinc/52/29/06/570522906.db2.gz ZXOINISIPWJQHE-OAHLLOKOSA-N 1 2 389.521 1.288 40 0 GDABLO COc1ccccc1NC(=O)C[N@@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1 ZINC000012144564 570616031 /nfs/dbraw/zinc/61/60/31/570616031.db2.gz CXASWQYOPXNDRC-UHFFFAOYSA-N 1 2 383.452 1.376 40 0 GDABLO COc1ccccc1NC(=O)C[N@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1 ZINC000012144564 570616033 /nfs/dbraw/zinc/61/60/33/570616033.db2.gz CXASWQYOPXNDRC-UHFFFAOYSA-N 1 2 383.452 1.376 40 0 GDABLO Cc1cc(N2C[C@@H](C)C[C@H](C)C2)nc(NC(=S)NCC[NH+]2CCOCC2)n1 ZINC000225905257 570632334 /nfs/dbraw/zinc/63/23/34/570632334.db2.gz YKFBTNYZYCFCQQ-GJZGRUSLSA-N 1 2 392.573 1.886 40 0 GDABLO CC1(C)C(=O)N[C@@H]2CCCC[C@@H]2N1C(=O)C[NH+]1CCN(c2nccs2)CC1 ZINC000019460324 210251197 /nfs/dbraw/zinc/25/11/97/210251197.db2.gz DGHGIZBGMOIECQ-CABCVRRESA-N 1 2 391.541 1.313 40 0 GDABLO Cc1csc(NC(=O)c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)n1 ZINC000015935990 530562987 /nfs/dbraw/zinc/56/29/87/530562987.db2.gz UOQSYWAWPCAXQY-UHFFFAOYSA-N 1 2 380.495 1.640 40 0 GDABLO CCNC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cs1 ZINC000035401937 530613362 /nfs/dbraw/zinc/61/33/62/530613362.db2.gz URWGDCYJSIDROX-UHFFFAOYSA-N 1 2 380.495 1.404 40 0 GDABLO CS(=O)(=O)NC[C@H]1CC[C@@]2(COCC[N@H+](Cc3ccc(Cl)o3)C2)O1 ZINC000306137077 212051827 /nfs/dbraw/zinc/05/18/27/212051827.db2.gz QLASBWWGEZVIML-IUODEOHRSA-N 1 2 378.878 1.232 40 0 GDABLO CS(=O)(=O)NC[C@H]1CC[C@@]2(COCC[N@@H+](Cc3ccc(Cl)o3)C2)O1 ZINC000306137077 212051829 /nfs/dbraw/zinc/05/18/29/212051829.db2.gz QLASBWWGEZVIML-IUODEOHRSA-N 1 2 378.878 1.232 40 0 GDABLO CC(=O)N[C@@H]1CCCC[C@@]12C[N@H+](Cc1cccc(NS(C)(=O)=O)c1)CCO2 ZINC000306130736 212050005 /nfs/dbraw/zinc/05/00/05/212050005.db2.gz JOEMNLVZBYONLL-RTBURBONSA-N 1 2 395.525 1.708 40 0 GDABLO CC(=O)N[C@@H]1CCCC[C@@]12C[N@@H+](Cc1cccc(NS(C)(=O)=O)c1)CCO2 ZINC000306130736 212050008 /nfs/dbraw/zinc/05/00/08/212050008.db2.gz JOEMNLVZBYONLL-RTBURBONSA-N 1 2 395.525 1.708 40 0 GDABLO COc1ccc(OC)c([C@H]2[NH+]=C(N3CCOCC3)Nc3nc(C)cc(=O)n32)c1 ZINC000104279809 211435885 /nfs/dbraw/zinc/43/58/85/211435885.db2.gz IHQOWDSJEAIMAY-KRWDZBQOSA-N 1 2 385.424 1.230 40 0 GDABLO CN1CC[N@H+](CC2CC2)C2(CCN(S(=O)(=O)c3cccs3)CC2)C1=O ZINC000096230287 211321827 /nfs/dbraw/zinc/32/18/27/211321827.db2.gz BNCNAXZGGHSUKS-UHFFFAOYSA-N 1 2 383.539 1.455 40 0 GDABLO CN1CC[N@@H+](CC2CC2)C2(CCN(S(=O)(=O)c3cccs3)CC2)C1=O ZINC000096230287 211321829 /nfs/dbraw/zinc/32/18/29/211321829.db2.gz BNCNAXZGGHSUKS-UHFFFAOYSA-N 1 2 383.539 1.455 40 0 GDABLO [NH3+]c1ccc(N2CCN(C(=O)C(Cl)(Cl)Cl)CC2)c(-n2cnnc2)c1 ZINC000070461916 211040695 /nfs/dbraw/zinc/04/06/95/211040695.db2.gz AEAZSBSBUFORLY-UHFFFAOYSA-N 1 2 389.674 1.868 40 0 GDABLO CNc1nc(N2CC[NH+](CCO)CC2)nc2c1C(=O)C[C@@H](c1ccccc1)C2 ZINC000020503105 210343228 /nfs/dbraw/zinc/34/32/28/210343228.db2.gz VMVNYWKVVIUBTO-INIZCTEOSA-N 1 2 381.480 1.545 40 0 GDABLO Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3[nH+]c(N4CCOCC4)nc(N)c32)c(C)c1 ZINC000019819959 210300278 /nfs/dbraw/zinc/30/02/78/210300278.db2.gz FDVKIHZYAPYSBB-CYBMUJFWSA-N 1 2 396.451 1.577 40 0 GDABLO C[N@@H+]1CCCC[C@@H]1c1nnc2n1CCN(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000019706138 210283484 /nfs/dbraw/zinc/28/34/84/210283484.db2.gz WMJCMHCIPSGILE-MRXNPFEDSA-N 1 2 393.488 1.821 40 0 GDABLO C[N@H+]1CCCC[C@@H]1c1nnc2n1CCN(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000019706138 210283486 /nfs/dbraw/zinc/28/34/86/210283486.db2.gz WMJCMHCIPSGILE-MRXNPFEDSA-N 1 2 393.488 1.821 40 0 GDABLO C[NH+]1CCN(C2=[NH+][C@@H](C(=O)Nc3ccc(Cl)cc3Cl)C=C([O-])N2)CC1 ZINC000014606970 221312975 /nfs/dbraw/zinc/31/29/75/221312975.db2.gz JBBTWMCZACYSKP-CYBMUJFWSA-N 1 2 384.267 1.424 40 0 GDABLO C[C@@H](C(=O)NCCCn1cc[nH+]c1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000225150431 533258511 /nfs/dbraw/zinc/25/85/11/533258511.db2.gz PDSLRPIOSIZDQQ-LBPRGKRZSA-N 1 2 386.424 1.522 40 0 GDABLO O=C1[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3ccccc3)C2)C(=O)N1Cc1ccccc1 ZINC000225381714 560044146 /nfs/dbraw/zinc/04/41/46/560044146.db2.gz NHEMXTDVQLDTDQ-UXHICEINSA-N 1 2 391.471 1.245 40 0 biogenic,in-vitro GDABLO CN(C(=O)/C=C/C[NH+]1CCOCC1)[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O ZINC000585291532 570260276 /nfs/dbraw/zinc/26/02/76/570260276.db2.gz PUBYTEUCEXEMTP-BAAKZIGGSA-N 1 2 375.469 1.089 40 0 GDABLO O=C(N[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccccc1)C(Cl)(Cl)Cl ZINC000575421115 570307029 /nfs/dbraw/zinc/30/70/29/570307029.db2.gz NAQMEYDZRGLXTN-GHMZBOCLSA-N 1 2 385.700 1.428 40 0 GDABLO COc1ccc([C@@H](CNC(=S)N[C@H]2CCS(=O)(=O)C2)[NH+]2CCCC2)cc1 ZINC000575425030 570310410 /nfs/dbraw/zinc/31/04/10/570310410.db2.gz XIFVEURXKZTIQD-DOTOQJQBSA-N 1 2 397.566 1.483 40 0 GDABLO COc1c(C)c[nH+]c(Cn2cccc(S(=O)(=O)N3CCCC3)c2=O)c1C ZINC000077199937 570413391 /nfs/dbraw/zinc/41/33/91/570413391.db2.gz IYHOWCKNTWCDSA-UHFFFAOYSA-N 1 2 377.466 1.702 40 0 GDABLO COc1cccc(OC)c1C[N@@H+]1CCc2nc(-c3cnccn3)[nH]c(=O)c2C1 ZINC000019567107 210265003 /nfs/dbraw/zinc/26/50/03/210265003.db2.gz ZPHHFQISCPBQLR-UHFFFAOYSA-N 1 2 379.420 1.802 40 0 GDABLO COc1cccc(OC)c1C[N@H+]1CCc2nc(-c3cnccn3)[nH]c(=O)c2C1 ZINC000019567107 210265006 /nfs/dbraw/zinc/26/50/06/210265006.db2.gz ZPHHFQISCPBQLR-UHFFFAOYSA-N 1 2 379.420 1.802 40 0 GDABLO C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CC[NH+](Cc3ccccn3)CC1)C2=O ZINC000019496104 210253209 /nfs/dbraw/zinc/25/32/09/210253209.db2.gz GBMCSNFGXLJZMM-IERDGZPVSA-N 1 2 399.495 1.227 40 0 GDABLO COC(=O)[C@]1(CCSC)[NH2+][C@H](c2ccc(C)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000222001688 209188522 /nfs/dbraw/zinc/18/85/22/209188522.db2.gz IUXZIYJEOUPSCW-DEXNDLTESA-N 1 2 376.478 1.535 40 0 GDABLO Cc1[nH+]c2c(n1C(C)C)CN(C(=O)C1CC1)CC21CCN(S(C)(=O)=O)CC1 ZINC000306143247 212054507 /nfs/dbraw/zinc/05/45/07/212054507.db2.gz XXBFRHZSHQTIIP-UHFFFAOYSA-N 1 2 394.541 1.818 40 0 GDABLO Cn1c[nH+]c([C@H]2CN(C(=O)c3ccncc3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306127541 212047329 /nfs/dbraw/zinc/04/73/29/212047329.db2.gz GBIVSGNPQBFTQM-UTKZUKDTSA-N 1 2 379.464 1.683 40 0 GDABLO CC(C)c1nc2cc(C(=O)N[C@@H]3CCC[C@@H]([N@H+]4CCNC(=O)C4)[C@@H]3O)ccc2[nH]1 ZINC000257211365 212003759 /nfs/dbraw/zinc/00/37/59/212003759.db2.gz BYPKFJKARFSGPQ-SZVBFZGTSA-N 1 2 399.495 1.130 40 0 GDABLO CC(C)c1nc2cc(C(=O)N[C@@H]3CCC[C@@H]([N@@H+]4CCNC(=O)C4)[C@@H]3O)ccc2[nH]1 ZINC000257211365 212003758 /nfs/dbraw/zinc/00/37/58/212003758.db2.gz BYPKFJKARFSGPQ-SZVBFZGTSA-N 1 2 399.495 1.130 40 0 GDABLO Cc1cc(N2C[C@H](C)C[C@@H](C)C2)nc(NC(=S)NCC[NH+]2CCOCC2)n1 ZINC000225905246 211934779 /nfs/dbraw/zinc/93/47/79/211934779.db2.gz YKFBTNYZYCFCQQ-HUUCEWRRSA-N 1 2 392.573 1.886 40 0 GDABLO CN(C)c1ncc2c(n1)[C@H]1C[N@@H+](Cc3ccccc3F)C[C@H]1S(=O)(=O)C2 ZINC000096100393 211302032 /nfs/dbraw/zinc/30/20/32/211302032.db2.gz PXMYPXMWANXARJ-GOEBONIOSA-N 1 2 376.457 1.578 40 0 GDABLO CN(C)c1ncc2c(n1)[C@H]1C[N@H+](Cc3ccccc3F)C[C@H]1S(=O)(=O)C2 ZINC000096100393 211302035 /nfs/dbraw/zinc/30/20/35/211302035.db2.gz PXMYPXMWANXARJ-GOEBONIOSA-N 1 2 376.457 1.578 40 0 GDABLO Cc1cc(-c2cc3nc(C)c(C)c(NC[C@H](O)C[NH+]4CCOCC4)n3n2)no1 ZINC000072396611 211111658 /nfs/dbraw/zinc/11/16/58/211111658.db2.gz MSWHFPLNWIQZGV-HNNXBMFYSA-N 1 2 386.456 1.415 40 0 GDABLO CCOC(=O)[C@]1(CCSC)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000020150446 210319624 /nfs/dbraw/zinc/31/96/24/210319624.db2.gz WFTMLNLONYZUPY-NEULZYRMSA-N 1 2 382.507 1.678 40 0 GDABLO O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000020106604 210315689 /nfs/dbraw/zinc/31/56/89/210315689.db2.gz AJWYOYAGUZYOBN-UHFFFAOYSA-N 1 2 396.428 1.333 40 0 GDABLO Cc1ncncc1C(=O)N1CCC[C@@H]1c1ccc(C(=O)N2CC[NH+](C)CC2)cn1 ZINC000019708744 210283882 /nfs/dbraw/zinc/28/38/82/210283882.db2.gz XUYPWDMBNPPTIB-LJQANCHMSA-N 1 2 394.479 1.545 40 0 GDABLO Cc1nn(C)cc1S(=O)(=O)N1C[C@@H](C[NH+]2CCOCC2)c2ccccc21 ZINC000019583949 210270125 /nfs/dbraw/zinc/27/01/25/210270125.db2.gz HQJHKHMPVBDLMJ-OAHLLOKOSA-N 1 2 376.482 1.353 40 0 GDABLO C[NH+]1CCN(C2=[NH+][C@H](C(=O)Nc3ccc(Cl)cc3Cl)C=C([O-])N2)CC1 ZINC000014606969 221313510 /nfs/dbraw/zinc/31/35/10/221313510.db2.gz JBBTWMCZACYSKP-ZDUSSCGKSA-N 1 2 384.267 1.424 40 0 GDABLO O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccc(-n2cnnn2)cc1 ZINC000057711614 136153884 /nfs/dbraw/zinc/15/38/84/136153884.db2.gz HPEKSTGAGIWOTG-UHFFFAOYSA-N 1 2 381.415 1.562 40 0 GDABLO Cc1occc1C(=O)N1CCc2[nH+]c(N3CCOCC3)nc(N(C)C)c2CC1 ZINC000096254870 136185827 /nfs/dbraw/zinc/18/58/27/136185827.db2.gz OPHZSDTWOYDUDK-UHFFFAOYSA-N 1 2 385.468 1.522 40 0 GDABLO COC(=O)[C@@H]1Cc2[nH+]cn(C(C)C)c2CN1S(=O)(=O)Cc1ccccc1 ZINC000015676506 560095618 /nfs/dbraw/zinc/09/56/18/560095618.db2.gz HYTQLSTXVMRXJK-INIZCTEOSA-N 1 2 377.466 1.894 40 0 biogenic,in-vitro GDABLO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)NCCc3ccccc3)c2)CC1 ZINC000039211503 570589430 /nfs/dbraw/zinc/58/94/30/570589430.db2.gz OXGZDLSRNKEXAH-UHFFFAOYSA-N 1 2 387.505 1.595 40 0 GDABLO CCn1c(C[N@@H+]2CCc3c(=O)[nH]c(N4CCOCC4)nc3C2)nc2ccccc21 ZINC000012145289 570615752 /nfs/dbraw/zinc/61/57/52/570615752.db2.gz ZACCMZQXOHIJDG-UHFFFAOYSA-N 1 2 394.479 1.534 40 0 GDABLO CCn1c(C[N@H+]2CCc3c(=O)[nH]c(N4CCOCC4)nc3C2)nc2ccccc21 ZINC000012145289 570615756 /nfs/dbraw/zinc/61/57/56/570615756.db2.gz ZACCMZQXOHIJDG-UHFFFAOYSA-N 1 2 394.479 1.534 40 0 GDABLO CCOc1cccc(C(=O)N2Cc3c[nH+]cn3[C@@H](CNS(C)(=O)=O)C2)c1 ZINC000248380042 570722341 /nfs/dbraw/zinc/72/23/41/570722341.db2.gz OSJDWXMKIUPFJL-HNNXBMFYSA-N 1 2 378.454 1.028 40 0 GDABLO COc1ccccc1N1CCN(c2nc3c(cnn3C)c(NCCO)[nH+]2)CC1 ZINC000004272773 570896571 /nfs/dbraw/zinc/89/65/71/570896571.db2.gz BNEXMVONHZJWTM-UHFFFAOYSA-N 1 2 383.456 1.103 40 0 GDABLO O=C(NCCCn1cc[nH+]c1)C1=NO[C@@]2(C1)CCCN(Cc1ccccn1)C2 ZINC000585101306 570926874 /nfs/dbraw/zinc/92/68/74/570926874.db2.gz XBHKCLOAYSEPJD-HXUWFJFHSA-N 1 2 382.468 1.596 40 0 GDABLO CN(CC(=O)NCCCn1cc[nH+]c1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000016187833 210187292 /nfs/dbraw/zinc/18/72/92/210187292.db2.gz IJONXPDDKLFQJU-UHFFFAOYSA-N 1 2 386.477 1.863 40 0 GDABLO O=C(NCCS(=O)(=O)N1CC[NH+](CCc2ccccc2)CC1)c1ccco1 ZINC000012422833 209191003 /nfs/dbraw/zinc/19/10/03/209191003.db2.gz VSIBLRKVKZCWHC-UHFFFAOYSA-N 1 2 391.493 1.200 40 0 GDABLO O=C([C@H]1C[N@H+](CCOCc2ccccc2)Cc2cncn21)N1CC(F)(F)C1 ZINC000306137133 212050695 /nfs/dbraw/zinc/05/06/95/212050695.db2.gz QMDHMXAENIUGME-QGZVFWFLSA-N 1 2 376.407 1.934 40 0 GDABLO O=C([C@H]1C[N@@H+](CCOCc2ccccc2)Cc2cncn21)N1CC(F)(F)C1 ZINC000306137133 212050701 /nfs/dbraw/zinc/05/07/01/212050701.db2.gz QMDHMXAENIUGME-QGZVFWFLSA-N 1 2 376.407 1.934 40 0 GDABLO O=C([C@H]1CN(CCOCc2ccccc2)Cc2c[nH+]cn21)N1CC(F)(F)C1 ZINC000306137133 212050704 /nfs/dbraw/zinc/05/07/04/212050704.db2.gz QMDHMXAENIUGME-QGZVFWFLSA-N 1 2 376.407 1.934 40 0 GDABLO COCCNC(=O)[C@H]1COC2(CN(Cc3cccs3)C2)C[N@@H+]1CC1CC1 ZINC000306129163 212046594 /nfs/dbraw/zinc/04/65/94/212046594.db2.gz HWBWDTOOIQUHCQ-QGZVFWFLSA-N 1 2 379.526 1.176 40 0 GDABLO COCCNC(=O)[C@H]1COC2(CN(Cc3cccs3)C2)C[N@H+]1CC1CC1 ZINC000306129163 212046597 /nfs/dbraw/zinc/04/65/97/212046597.db2.gz HWBWDTOOIQUHCQ-QGZVFWFLSA-N 1 2 379.526 1.176 40 0 GDABLO CNC(=O)[C@@H]1CN(C(=O)Cc2c(C)n[nH]c2C)CC[N@@H+]1CCc1ccccc1 ZINC000257247601 212010258 /nfs/dbraw/zinc/01/02/58/212010258.db2.gz IZQDOHPKMWZMBC-IBGZPJMESA-N 1 2 383.496 1.071 40 0 GDABLO CNC(=O)[C@@H]1CN(C(=O)Cc2c(C)n[nH]c2C)CC[N@H+]1CCc1ccccc1 ZINC000257247601 212010262 /nfs/dbraw/zinc/01/02/62/212010262.db2.gz IZQDOHPKMWZMBC-IBGZPJMESA-N 1 2 383.496 1.071 40 0 GDABLO COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000019913338 210307071 /nfs/dbraw/zinc/30/70/71/210307071.db2.gz RQVSOOANPVISME-IBGZPJMESA-N 1 2 398.459 1.671 40 0 GDABLO CCOC(=O)Nc1cc(S(=O)(=O)N2CC[NH+](CC)CC2)ccc1OCC ZINC000408588029 529106455 /nfs/dbraw/zinc/10/64/55/529106455.db2.gz WETYTZSQTYSRMU-UHFFFAOYSA-N 1 2 385.486 1.980 40 0 GDABLO O=C(Nc1ccccc1)N1C[C@@H]2COCCN2C2(CN(Cc3c[nH+]c[nH]3)C2)C1 ZINC000604381967 570353215 /nfs/dbraw/zinc/35/32/15/570353215.db2.gz WYVPZHSZLPSEFR-GOSISDBHSA-N 1 2 382.468 1.213 40 0 biogenic,in-vitro GDABLO O=C(Nc1ccccc1)N1C[C@@H]2COCCN2C2(CN(Cc3c[nH]c[nH+]3)C2)C1 ZINC000604381967 570353218 /nfs/dbraw/zinc/35/32/18/570353218.db2.gz WYVPZHSZLPSEFR-GOSISDBHSA-N 1 2 382.468 1.213 40 0 biogenic,in-vitro GDABLO CCN1CC[NH+](C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 ZINC000035311629 570551265 /nfs/dbraw/zinc/55/12/65/570551265.db2.gz JYHLBOXYECLCHK-UHFFFAOYSA-N 1 2 395.525 1.248 40 0 GDABLO CCN1[NH+]=C(C)[C@H](C)n2c3c(nc21)n(C)c(=O)n(Cc1ccccc1F)c3=O ZINC000010363987 570570354 /nfs/dbraw/zinc/57/03/54/570570354.db2.gz OMRRWUPUROPRNX-LBPRGKRZSA-N 1 2 384.415 1.861 40 0 GDABLO Cc1cc(N2CCCC[C@@H]2C)nc(NC(=S)NCC[NH+]2CCOCC2)n1 ZINC000225905207 570632039 /nfs/dbraw/zinc/63/20/39/570632039.db2.gz IRZRYLLJGQZHJI-HNNXBMFYSA-N 1 2 378.546 1.782 40 0 GDABLO Cc1ccc(CN2CC3(C2)C[N@H+](CC2CC2)[C@@H](C(=O)N2CCCO2)CO3)o1 ZINC000248051309 570720476 /nfs/dbraw/zinc/72/04/76/570720476.db2.gz AYBAGVNTQMUJQG-GOSISDBHSA-N 1 2 375.469 1.417 40 0 GDABLO Cc1ccc(CN2CC3(C2)C[N@@H+](CC2CC2)[C@@H](C(=O)N2CCCO2)CO3)o1 ZINC000248051309 570720477 /nfs/dbraw/zinc/72/04/77/570720477.db2.gz AYBAGVNTQMUJQG-GOSISDBHSA-N 1 2 375.469 1.417 40 0 GDABLO CN(C)c1nc(N2CCOCC2)[nH+]c2c1CN(C(=O)COc1ccccc1)CC2 ZINC000035837192 570948411 /nfs/dbraw/zinc/94/84/11/570948411.db2.gz FARSRQNECVRXLY-UHFFFAOYSA-N 1 2 397.479 1.343 40 0 GDABLO CCn1cc(C[NH+]2CCN(C(=O)[C@H]3COc4ccc(OC)cc4C3)CC2)cn1 ZINC000019524955 210256505 /nfs/dbraw/zinc/25/65/05/210256505.db2.gz URPQVPODIFUJGY-GOSISDBHSA-N 1 2 384.480 1.807 40 0 GDABLO O=C(C[NH2+][C@H]1C=CS(=O)(=O)C1)N[C@H](Cc1cccs1)c1ccccn1 ZINC000019400928 210248124 /nfs/dbraw/zinc/24/81/24/210248124.db2.gz JBIWXSBZZAHSCV-XJKSGUPXSA-N 1 2 377.491 1.443 40 0 GDABLO Cc1ccc(C(=O)N2CCC(O)CC2)c(N2CCN(C(=O)c3ccco3)CC2)[nH+]1 ZINC000019134521 210226791 /nfs/dbraw/zinc/22/67/91/210226791.db2.gz UUFKVIPRLHPEBR-UHFFFAOYSA-N 1 2 398.463 1.542 40 0 GDABLO O=S(=O)(NCC[C@H]1Cn2nccc2C[N@H+](Cc2ccccn2)C1)C1CC1 ZINC000306142563 212055308 /nfs/dbraw/zinc/05/53/08/212055308.db2.gz XDIPTHPCSLITFA-OAHLLOKOSA-N 1 2 375.498 1.382 40 0 GDABLO O=S(=O)(NCC[C@H]1Cn2nccc2C[N@@H+](Cc2ccccn2)C1)C1CC1 ZINC000306142563 212055313 /nfs/dbraw/zinc/05/53/13/212055313.db2.gz XDIPTHPCSLITFA-OAHLLOKOSA-N 1 2 375.498 1.382 40 0 GDABLO CCS(=O)(=O)N1C[C@@H](c2cn(C(C)C)c[nH+]2)[C@]2(CCN(CC3CC3)C2=O)C1 ZINC000306129635 212046727 /nfs/dbraw/zinc/04/67/27/212046727.db2.gz IIRHJGCLMPNOOK-LPHOPBHVSA-N 1 2 394.541 1.842 40 0 GDABLO O=C([C@@H]1COC2(CN(Cc3cccs3)C2)C[N@@H+]1CC1CC1)N1CCCO1 ZINC000306129006 212047977 /nfs/dbraw/zinc/04/79/77/212047977.db2.gz HRDADDSNVNVNMH-KRWDZBQOSA-N 1 2 377.510 1.577 40 0 GDABLO O=C([C@@H]1COC2(CN(Cc3cccs3)C2)C[N@H+]1CC1CC1)N1CCCO1 ZINC000306129006 212047980 /nfs/dbraw/zinc/04/79/80/212047980.db2.gz HRDADDSNVNVNMH-KRWDZBQOSA-N 1 2 377.510 1.577 40 0 GDABLO CC(C)[N@@H+]1CCN(C(=O)Cn2c3ccccc3nc2C(F)(F)F)C[C@@H]1C(N)=O ZINC000257309195 212021357 /nfs/dbraw/zinc/02/13/57/212021357.db2.gz TZXLHVUDAUABAP-CQSZACIVSA-N 1 2 397.401 1.462 40 0 GDABLO CC(C)[N@H+]1CCN(C(=O)Cn2c3ccccc3nc2C(F)(F)F)C[C@@H]1C(N)=O ZINC000257309195 212021362 /nfs/dbraw/zinc/02/13/62/212021362.db2.gz TZXLHVUDAUABAP-CQSZACIVSA-N 1 2 397.401 1.462 40 0 GDABLO CCN(CC)C(=O)COc1ccc([C@H]2C(C(=O)OC)=C(C)[NH+]=C3N=CNN32)cc1 ZINC000334160593 209177437 /nfs/dbraw/zinc/17/74/37/209177437.db2.gz IGAAZHUYYLFBKQ-SFHVURJKSA-N 1 2 399.451 1.640 40 0 GDABLO COCCNC(=O)CN1CCO[C@H](c2ccc(Nc3cccc(C)[nH+]3)cn2)C1 ZINC000257232822 212007060 /nfs/dbraw/zinc/00/70/60/212007060.db2.gz GMOOXSHFPXPVEC-SFHVURJKSA-N 1 2 385.468 1.665 40 0 GDABLO Cc1cc(Nc2cccc(C(=O)N3CCN(C)[C@H](C(=O)N(C)C)C3)c2)nc(C)[nH+]1 ZINC000257226533 212006678 /nfs/dbraw/zinc/00/66/78/212006678.db2.gz FLARFOQHGJCTIS-SFHVURJKSA-N 1 2 396.495 1.681 40 0 GDABLO COC(=O)[C@@]1(CCSC)[NH2+][C@H](c2ccc(C)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000100420469 211387553 /nfs/dbraw/zinc/38/75/53/211387553.db2.gz IUXZIYJEOUPSCW-ZTENYAIWSA-N 1 2 376.478 1.535 40 0 GDABLO COCC(=O)N1CCc2c(nc3cc(C4CC[NH+](CC5CC5)CC4)[nH]n3c2=O)C1 ZINC000100232736 211383591 /nfs/dbraw/zinc/38/35/91/211383591.db2.gz JVWWLFVQTNTGIC-UHFFFAOYSA-N 1 2 399.495 1.555 40 0 GDABLO CCN1CCn2c(C)c[nH+]c2C12CCN(S(=O)(=O)c1cccnc1)CC2 ZINC000096263316 211325879 /nfs/dbraw/zinc/32/58/79/211325879.db2.gz QTMSOFLBRYARLH-UHFFFAOYSA-N 1 2 375.498 1.602 40 0 GDABLO COc1cccc(OC)c1C[N@@H+]1CCC[C@H]1c1nnc2n1CCN(C(C)=O)C2 ZINC000072373916 211102205 /nfs/dbraw/zinc/10/22/05/211102205.db2.gz FEMXHTGCZQHXDT-INIZCTEOSA-N 1 2 385.468 1.995 40 0 GDABLO COc1cccc(OC)c1C[N@H+]1CCC[C@H]1c1nnc2n1CCN(C(C)=O)C2 ZINC000072373916 211102207 /nfs/dbraw/zinc/10/22/07/211102207.db2.gz FEMXHTGCZQHXDT-INIZCTEOSA-N 1 2 385.468 1.995 40 0 GDABLO COCC[NH+]1CCN(C(=O)c2ncoc2-c2ccc(OC)c(OC)c2)CC1 ZINC000019593404 210274789 /nfs/dbraw/zinc/27/47/89/210274789.db2.gz KIINMOXQQAHITE-UHFFFAOYSA-N 1 2 375.425 1.763 40 0 GDABLO C[C@@H]1CCCN(c2ncc3c(n2)[C@H]2C[N@@H+](CC4CC4)C[C@H]2S(=O)(=O)C3)C1 ZINC000096251997 136185655 /nfs/dbraw/zinc/18/56/55/136185655.db2.gz BRHHSUUXMLCBTD-XOKHGSTOSA-N 1 2 376.526 1.819 40 0 GDABLO C[C@@H]1CCCN(c2ncc3c(n2)[C@H]2C[N@H+](CC4CC4)C[C@H]2S(=O)(=O)C3)C1 ZINC000096251997 136185656 /nfs/dbraw/zinc/18/56/56/136185656.db2.gz BRHHSUUXMLCBTD-XOKHGSTOSA-N 1 2 376.526 1.819 40 0 GDABLO CC(C)CNS(=O)(=O)c1ccc(CCC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000408592911 528065880 /nfs/dbraw/zinc/06/58/80/528065880.db2.gz KTKVJGMGIVCALJ-UHFFFAOYSA-N 1 2 392.525 1.957 40 0 GDABLO CCC(CC)C(=O)N1CCc2[nH+]c(N3CCOCC3)nc(N(C)C)c2CC1 ZINC000096254937 535005622 /nfs/dbraw/zinc/00/56/22/535005622.db2.gz VUXCBIHZUJUXNR-UHFFFAOYSA-N 1 2 375.517 1.743 40 0 GDABLO CCCn1c[nH+]c2c1CN(S(=O)(=O)c1ccc(F)cc1)[C@H](C(=O)OC)C2 ZINC000015676587 560095596 /nfs/dbraw/zinc/09/55/96/560095596.db2.gz KEFDANHMJLAIHI-HNNXBMFYSA-N 1 2 381.429 1.721 40 0 biogenic,in-vitro GDABLO COc1ccc([C@H](CN2C(=O)N[C@@H]3CS(=O)(=O)C[C@H]32)[NH+]2CCCC2)cc1 ZINC000575424101 570309671 /nfs/dbraw/zinc/30/96/71/570309671.db2.gz SNZWJBHXEJGWCW-IXDOHACOSA-N 1 2 379.482 1.023 40 0 GDABLO CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000222828506 570428222 /nfs/dbraw/zinc/42/82/22/570428222.db2.gz NAHCAQFMLWTCIK-OAHLLOKOSA-N 1 2 381.904 1.916 40 0 GDABLO C[C@@H]1OC[C@H](O)[C@H]([C@H](O)C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)O1 ZINC000005496231 570442549 /nfs/dbraw/zinc/44/25/49/570442549.db2.gz NIBVLQIHAJKBNW-IDZYALCFSA-N 1 2 385.460 1.741 40 0 GDABLO Cc1nn(C)c(C)c1NC(=O)C[NH+]1CCC(O)(c2ccc3c(c2)OCO3)CC1 ZINC000004409832 570629326 /nfs/dbraw/zinc/62/93/26/570629326.db2.gz SCDWLWISWQDXLV-UHFFFAOYSA-N 1 2 386.452 1.688 40 0 GDABLO O=C(NCc1cccnc1)[C@H]1CN(C(=O)c2cccc(O)c2)Cc2c[nH+]cn21 ZINC000585096171 570922662 /nfs/dbraw/zinc/92/26/62/570922662.db2.gz WRTJUHGEPWIHLJ-GOSISDBHSA-N 1 2 377.404 1.497 40 0 GDABLO CCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](c1ccccc1C)[NH2+][C@]2(CCSC)C(=O)OC ZINC000229995095 570962199 /nfs/dbraw/zinc/96/21/99/570962199.db2.gz SHMAQEIEMVMZJQ-ULMVMLMRSA-N 1 2 390.505 1.925 40 0 GDABLO CCn1c2ccccc2nc1N1CCC[C@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000019524411 210257193 /nfs/dbraw/zinc/25/71/93/210257193.db2.gz CIDIHYHCKXVPSL-KRWDZBQOSA-N 1 2 385.512 1.721 40 0 GDABLO COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@@H]32)cc1 ZINC000019019387 210223974 /nfs/dbraw/zinc/22/39/74/210223974.db2.gz AJWUINFPDRHKAM-VAMGGRTRSA-N 1 2 382.464 1.755 40 0 GDABLO C[NH+]1CCC(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)CC1 ZINC000223318671 531029225 /nfs/dbraw/zinc/02/92/25/531029225.db2.gz VNVOAGXTWJELBZ-UHFFFAOYSA-N 1 2 381.483 1.163 40 0 GDABLO CC(C)Nc1[nH+]c2cc(Cl)c(Cl)cc2n1[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O ZINC000150039304 531128738 /nfs/dbraw/zinc/12/87/38/531128738.db2.gz KJFBVJALEQWJBS-XJFOESAGSA-N 1 2 376.240 1.775 40 0 GDABLO Cc1nc(C[N@H+]2CC[C@@]3(C2)COCc2cnc(N4C[C@@H](C)O[C@H](C)C4)nc23)c[nH]1 ZINC000306127620 212048030 /nfs/dbraw/zinc/04/80/30/212048030.db2.gz GDPBRUIKKWUZFO-VTJXTGGHSA-N 1 2 398.511 1.796 40 0 GDABLO Cc1nc(C[N@@H+]2CC[C@@]3(C2)COCc2cnc(N4C[C@@H](C)O[C@H](C)C4)nc23)c[nH]1 ZINC000306127620 212048034 /nfs/dbraw/zinc/04/80/34/212048034.db2.gz GDPBRUIKKWUZFO-VTJXTGGHSA-N 1 2 398.511 1.796 40 0 GDABLO CCN1C(=O)CC[C@@H](C(=O)NCC[NH+]2CCOCC2)[C@@H]1c1ccccc1OC ZINC000257335640 212028390 /nfs/dbraw/zinc/02/83/90/212028390.db2.gz YLDNMQXUJGHFEQ-XLIONFOSSA-N 1 2 389.496 1.443 40 0 GDABLO CCCN1CC[N@H+](CC(N)=O)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257316585 212024769 /nfs/dbraw/zinc/02/47/69/212024769.db2.gz VGERFVFVGGPLQC-IBGZPJMESA-N 1 2 380.492 1.947 40 0 GDABLO CCCN1CC[N@@H+](CC(N)=O)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257316585 212024774 /nfs/dbraw/zinc/02/47/74/212024774.db2.gz VGERFVFVGGPLQC-IBGZPJMESA-N 1 2 380.492 1.947 40 0 GDABLO CC[N@H+](Cc1ccc(OCC(=O)[O-])cc1)C[C@@]1(C)Cc2c(nc(N)[nH+]c2N)O1 ZINC000257304215 212019205 /nfs/dbraw/zinc/01/92/05/212019205.db2.gz SKODASLCTWYFKV-LJQANCHMSA-N 1 2 387.440 1.320 40 0 GDABLO CC[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)C[C@@]1(C)Cc2c(nc(N)[nH+]c2N)O1 ZINC000257304215 212019210 /nfs/dbraw/zinc/01/92/10/212019210.db2.gz SKODASLCTWYFKV-LJQANCHMSA-N 1 2 387.440 1.320 40 0 GDABLO Cc1[nH+]cc(-c2cc(C)nc([C@H]3CCCCN3S(=O)(=O)N(C)C)n2)n1C ZINC000257215100 212005746 /nfs/dbraw/zinc/00/57/46/212005746.db2.gz CORSETKMMHKSGW-OAHLLOKOSA-N 1 2 378.502 1.827 40 0 GDABLO Cc1cc2nc(CC(=O)N3CC[C@H](O)[C@@H]([NH+]4CCOCC4)CC3)[nH]c2c(C)c1 ZINC000257223171 212004887 /nfs/dbraw/zinc/00/48/87/212004887.db2.gz DWFZEUCECCWASZ-ROUUACIJSA-N 1 2 386.496 1.406 40 0 GDABLO CCS(=O)(=O)N1CCC[C@]2(C(=O)N(C)C)CN(c3cccc[nH+]3)C[C@@H]2C1 ZINC000096251268 211325264 /nfs/dbraw/zinc/32/52/64/211325264.db2.gz SZJSIRZBITWCMB-QAPCUYQASA-N 1 2 380.514 1.038 40 0 GDABLO CCn1c(C)[nH+]c2cc(NC(=O)c3cccn(CC(=O)N(C)C)c3=O)ccc21 ZINC000019750104 210293632 /nfs/dbraw/zinc/29/36/32/210293632.db2.gz UPGMLGFGBGYDSG-UHFFFAOYSA-N 1 2 381.436 1.867 40 0 GDABLO Cc1nn(C)cc1S(=O)(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000019584031 210269666 /nfs/dbraw/zinc/26/96/66/210269666.db2.gz CVTSAWCPCACMML-UHFFFAOYSA-N 1 2 380.470 1.240 40 0 GDABLO c1ccc(-c2cc(NCC[NH+]3CCOCC3)nc(NC3CCCCC3)n2)nc1 ZINC000328965636 534478971 /nfs/dbraw/zinc/47/89/71/534478971.db2.gz CEPRHBKWFUAYBB-UHFFFAOYSA-N 1 2 382.512 1.871 40 0 GDABLO CCOc1ccc(C(=O)NCCCn2cc[nH+]c2)cc1S(=O)(=O)NC(C)C ZINC000408701318 528400365 /nfs/dbraw/zinc/40/03/65/528400365.db2.gz WDTBSIAEUYBDHZ-UHFFFAOYSA-N 1 2 394.497 1.789 40 0 GDABLO COc1ccc([C@H](CNC(=O)N[C@H]2C=CS(=O)(=O)C2)[NH+]2CCCC2)cc1 ZINC000575420206 570307726 /nfs/dbraw/zinc/30/77/26/570307726.db2.gz AOTFHAUSJSNSBC-RDJZCZTQSA-N 1 2 379.482 1.442 40 0 GDABLO COc1ccc([C@H](CNC(=O)N[C@@H]2C=CS(=O)(=O)C2)[NH+]2CCCC2)cc1 ZINC000575420207 570307745 /nfs/dbraw/zinc/30/77/45/570307745.db2.gz AOTFHAUSJSNSBC-WBVHZDCISA-N 1 2 379.482 1.442 40 0 GDABLO COc1ccc([C@@H](CNC(=S)N[C@@H]2C=CS(=O)(=O)C2)[NH+]2CCCC2)cc1 ZINC000575423873 570309345 /nfs/dbraw/zinc/30/93/45/570309345.db2.gz SEYLUQVCBJNJQW-NVXWUHKLSA-N 1 2 395.550 1.607 40 0 GDABLO CC[C@@H](C(=O)NCC[NH+]1CCOCC1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220545942 570388077 /nfs/dbraw/zinc/38/80/77/570388077.db2.gz JHDVAJIGXVUGRG-KRWDZBQOSA-N 1 2 397.541 1.296 40 0 GDABLO CCc1ccc(N(CCCC(=O)NCC[NH+]2CCOCC2)S(C)(=O)=O)cc1 ZINC000222645936 570418509 /nfs/dbraw/zinc/41/85/09/570418509.db2.gz GAMBPHYXVKYMGJ-UHFFFAOYSA-N 1 2 397.541 1.244 40 0 GDABLO CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000222982998 570434854 /nfs/dbraw/zinc/43/48/54/570434854.db2.gz UXTBDMQINICYKW-KRWDZBQOSA-N 1 2 391.512 1.661 40 0 GDABLO COc1ccc(CN(C(=O)C(C)C)[C@@H](C)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000222987487 570435150 /nfs/dbraw/zinc/43/51/50/570435150.db2.gz NKAVECIYMVAFQM-KRWDZBQOSA-N 1 2 391.512 1.517 40 0 GDABLO CNC(=O)[C@@H]1COC2(CN(C(=O)c3oc4ccccc4c3C)C2)C[N@@H+]1CC1CC1 ZINC000575406590 570522597 /nfs/dbraw/zinc/52/25/97/570522597.db2.gz YYDXKKWZZURXCN-KRWDZBQOSA-N 1 2 397.475 1.793 40 0 GDABLO CNC(=O)[C@@H]1COC2(CN(C(=O)c3oc4ccccc4c3C)C2)C[N@H+]1CC1CC1 ZINC000575406590 570522598 /nfs/dbraw/zinc/52/25/98/570522598.db2.gz YYDXKKWZZURXCN-KRWDZBQOSA-N 1 2 397.475 1.793 40 0 GDABLO CC(C)n1c2ccc(S(=O)(=O)NCCC[NH+]3CCOCC3)cc2sc1=O ZINC000225716268 570607905 /nfs/dbraw/zinc/60/79/05/570607905.db2.gz UFERQHVTXHZZSZ-UHFFFAOYSA-N 1 2 399.538 1.645 40 0 GDABLO CNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000019824284 570930107 /nfs/dbraw/zinc/93/01/07/570930107.db2.gz VYXHWOHGELXWMK-UHFFFAOYSA-N 1 2 388.537 1.783 40 0 GDABLO CNC(=O)[C@H]1CN(C(=O)c2cn(CCOC)c3ccccc23)CC[N@@H+]1C(C)C ZINC000585168376 570996120 /nfs/dbraw/zinc/99/61/20/570996120.db2.gz DRRAIXZXIOQRMC-LJQANCHMSA-N 1 2 386.496 1.569 40 0 GDABLO CNC(=O)[C@H]1CN(C(=O)c2cn(CCOC)c3ccccc23)CC[N@H+]1C(C)C ZINC000585168376 570996122 /nfs/dbraw/zinc/99/61/22/570996122.db2.gz DRRAIXZXIOQRMC-LJQANCHMSA-N 1 2 386.496 1.569 40 0 GDABLO CNC(=O)[C@@H]1CN(C(=O)c2cn(CCOC)c3ccccc23)CC[N@@H+]1C(C)C ZINC000585168375 570996253 /nfs/dbraw/zinc/99/62/53/570996253.db2.gz DRRAIXZXIOQRMC-IBGZPJMESA-N 1 2 386.496 1.569 40 0 GDABLO CNC(=O)[C@@H]1CN(C(=O)c2cn(CCOC)c3ccccc23)CC[N@H+]1C(C)C ZINC000585168375 570996258 /nfs/dbraw/zinc/99/62/58/570996258.db2.gz DRRAIXZXIOQRMC-IBGZPJMESA-N 1 2 386.496 1.569 40 0 GDABLO O=S(=O)(NCCc1c[nH+]c[nH]1)c1ccc(I)cc1 ZINC000005530977 530539532 /nfs/dbraw/zinc/53/95/32/530539532.db2.gz WXTXLGABQWYDRT-UHFFFAOYSA-N 1 2 377.207 1.535 40 0 GDABLO O=S(=O)(NCCc1c[nH]c[nH+]1)c1ccc(I)cc1 ZINC000005530977 530539535 /nfs/dbraw/zinc/53/95/35/530539535.db2.gz WXTXLGABQWYDRT-UHFFFAOYSA-N 1 2 377.207 1.535 40 0 GDABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(OCC(=O)OC)c(Cl)c2)CC1 ZINC000006953593 530543593 /nfs/dbraw/zinc/54/35/93/530543593.db2.gz JLOYFMWWYWBXPZ-UHFFFAOYSA-N 1 2 376.862 1.218 40 0 GDABLO O=C(NCCCn1cc[nH+]c1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000019868938 530568407 /nfs/dbraw/zinc/56/84/07/530568407.db2.gz RBLXDCMNLHUAJC-CQSZACIVSA-N 1 2 382.511 1.552 40 0 GDABLO CC[NH+]1CCN(C(=O)Cn2ccc(=O)c3ccc(Br)cc32)CC1 ZINC000225742020 531031978 /nfs/dbraw/zinc/03/19/78/531031978.db2.gz OVSNDMCRKRYGBW-UHFFFAOYSA-N 1 2 378.270 1.928 40 0 GDABLO CCCc1nn(CC(=O)NCCc2c[nH+]c[nH]2)c(=O)c2cc3ccsc3n21 ZINC000012116208 221151732 /nfs/dbraw/zinc/15/17/32/221151732.db2.gz FQHSKNVZZJQUBJ-UHFFFAOYSA-N 1 2 384.465 1.745 40 0 GDABLO CCCc1nn(CC(=O)NCCc2c[nH]c[nH+]2)c(=O)c2cc3ccsc3n21 ZINC000012116208 221151733 /nfs/dbraw/zinc/15/17/33/221151733.db2.gz FQHSKNVZZJQUBJ-UHFFFAOYSA-N 1 2 384.465 1.745 40 0 GDABLO CC(C)Nc1nc(N2CCOCC2)[nH+]c2c1CN(C(=O)c1ccccn1)CC2 ZINC000096254285 136185955 /nfs/dbraw/zinc/18/59/55/136185955.db2.gz YABSNMMLTDKWSA-UHFFFAOYSA-N 1 2 382.468 1.727 40 0 GDABLO CN(C)C(=O)C[N@@H+]1CCC[C@H](c2nccnc2Oc2ccc(C(N)=O)cc2)C1 ZINC000072362435 222240566 /nfs/dbraw/zinc/24/05/66/222240566.db2.gz BSEMNRXIFIELJS-HNNXBMFYSA-N 1 2 383.452 1.635 40 0 GDABLO CN(C)C(=O)C[N@H+]1CCC[C@H](c2nccnc2Oc2ccc(C(N)=O)cc2)C1 ZINC000072362435 222240570 /nfs/dbraw/zinc/24/05/70/222240570.db2.gz BSEMNRXIFIELJS-HNNXBMFYSA-N 1 2 383.452 1.635 40 0 GDABLO Cc1noc(C)c1C[N@@H+]1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)NC1CCC1 ZINC000096082977 222377518 /nfs/dbraw/zinc/37/75/18/222377518.db2.gz YZXVFZPWVZCKIP-USXIJHARSA-N 1 2 381.498 1.195 40 0 GDABLO Cc1noc(C)c1C[N@H+]1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)NC1CCC1 ZINC000096082977 222377521 /nfs/dbraw/zinc/37/75/21/222377521.db2.gz YZXVFZPWVZCKIP-USXIJHARSA-N 1 2 381.498 1.195 40 0 GDABLO CCOc1ccc(S(=O)(=O)NCCC[NH+]2CCOCC2)cc1NC(=O)CC ZINC000408697925 528579760 /nfs/dbraw/zinc/57/97/60/528579760.db2.gz MVHNXZIXSXEURD-UHFFFAOYSA-N 1 2 399.513 1.434 40 0 GDABLO COc1ccc(Cl)cc1N1C(=O)C[C@@H]([NH+]2CCC3(CC2)OCCO3)C1=O ZINC000104346124 570301562 /nfs/dbraw/zinc/30/15/62/570301562.db2.gz HVNZTBQDDHJPQW-CQSZACIVSA-N 1 2 380.828 1.819 40 0 GDABLO COc1ccc([C@@H](CNC(=O)N[C@H]2C=CS(=O)(=O)C2)[NH+]2CCCC2)cc1 ZINC000575420204 570307680 /nfs/dbraw/zinc/30/76/80/570307680.db2.gz AOTFHAUSJSNSBC-DOTOQJQBSA-N 1 2 379.482 1.442 40 0 GDABLO CC(=O)Nc1nnc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)s1 ZINC000222995101 570435756 /nfs/dbraw/zinc/43/57/56/570435756.db2.gz WMKVWPBUWAOAJO-UHFFFAOYSA-N 1 2 392.466 1.469 40 0 GDABLO CCCn1c2ccc(S(=O)(=O)NCCC[NH+]3CCOCC3)cc2sc1=O ZINC000225732623 570610682 /nfs/dbraw/zinc/61/06/82/570610682.db2.gz JGYFYGDLFOIIIV-UHFFFAOYSA-N 1 2 399.538 1.474 40 0 GDABLO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCn3cc[nH+]c3)C2)cc1 ZINC000052410666 570915410 /nfs/dbraw/zinc/91/54/10/570915410.db2.gz RPEJUYZVXJXXGW-QGZVFWFLSA-N 1 2 390.509 1.799 40 0 GDABLO O=C(NCCc1cccs1)[C@H]1CN(C(=O)c2cnccn2)Cc2c[nH+]cn21 ZINC000585096135 570922733 /nfs/dbraw/zinc/92/27/33/570922733.db2.gz UEGQIWNBZNEZRH-MRXNPFEDSA-N 1 2 382.449 1.291 40 0 GDABLO Cc1nocc1C(=O)N1CC[C@H]2O[C@@H](COCC[NH+]3CCOCC3)CC[C@H]21 ZINC000585108488 570940239 /nfs/dbraw/zinc/94/02/39/570940239.db2.gz VQADPULYVHZOIG-KBAYOESNSA-N 1 2 379.457 1.094 40 0 GDABLO Cc1nc(CN2C[C@H]3ON=C(N4CC[NH+](Cc5ccccn5)CC4)[C@@H]3C2)cs1 ZINC000306135578 570941992 /nfs/dbraw/zinc/94/19/92/570941992.db2.gz OVBUVBAXFWXYCG-RTBURBONSA-N 1 2 398.536 1.808 40 0 GDABLO C[C@@H](c1ccccc1)N1CCc2oc(C(=O)NC[C@@H]3C[N@H+](C)CCO3)nc2C1 ZINC000585111923 570942403 /nfs/dbraw/zinc/94/24/03/570942403.db2.gz JGUXUUJPOMYUHK-DOTOQJQBSA-N 1 2 384.480 1.854 40 0 GDABLO C[C@@H](c1ccccc1)N1CCc2oc(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)nc2C1 ZINC000585111923 570942404 /nfs/dbraw/zinc/94/24/04/570942404.db2.gz JGUXUUJPOMYUHK-DOTOQJQBSA-N 1 2 384.480 1.854 40 0 GDABLO COc1ccc(C(=O)N[C@H]2C[C@@H](c3nc(-c4cncnc4)no3)[N@H+](C)C2)cc1 ZINC000012530105 221203421 /nfs/dbraw/zinc/20/34/21/221203421.db2.gz MCVBQJADFGFQMT-HOCLYGCPSA-N 1 2 380.408 1.710 40 0 biogenic,in-vitro GDABLO COc1ccc(C(=O)N[C@H]2C[C@@H](c3nc(-c4cncnc4)no3)[N@@H+](C)C2)cc1 ZINC000012530105 221203425 /nfs/dbraw/zinc/20/34/25/221203425.db2.gz MCVBQJADFGFQMT-HOCLYGCPSA-N 1 2 380.408 1.710 40 0 biogenic,in-vitro GDABLO CS(=O)(=O)N(CC(=O)NCCCn1cc[nH+]c1)Cc1ccc(Cl)cc1 ZINC000408619398 533376605 /nfs/dbraw/zinc/37/66/05/533376605.db2.gz HPFFHJCPVRWSHS-UHFFFAOYSA-N 1 2 384.889 1.505 40 0 GDABLO COCCN1[C@@]2(CC[N@H+](Cc3nccs3)C2)c2ccccc2S1(=O)=O ZINC000096143060 222388309 /nfs/dbraw/zinc/38/83/09/222388309.db2.gz YUWWYKFUQOACCT-QGZVFWFLSA-N 1 2 379.507 1.895 40 0 GDABLO COCCN1[C@@]2(CC[N@@H+](Cc3nccs3)C2)c2ccccc2S1(=O)=O ZINC000096143060 222388314 /nfs/dbraw/zinc/38/83/14/222388314.db2.gz YUWWYKFUQOACCT-QGZVFWFLSA-N 1 2 379.507 1.895 40 0 GDABLO Cc1ccc(S(=O)(=O)NCCC[NH+]2CCOCC2)cc1C(=O)NCC(C)C ZINC000408591504 534209536 /nfs/dbraw/zinc/20/95/36/534209536.db2.gz JGPALTWZEYVMPB-UHFFFAOYSA-N 1 2 397.541 1.381 40 0 GDABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(O[C@H](C)C(=O)NCC(C)C)cc2)CC1 ZINC000408612071 529150469 /nfs/dbraw/zinc/15/04/69/529150469.db2.gz YDAXYKOEPVETKW-MRXNPFEDSA-N 1 2 397.541 1.552 40 0 GDABLO Cc1nc([C@H]2CCCC[N@H+]2Cc2cnn(C)c2)ncc1C(=O)N1CCOCC1 ZINC000019751915 570215909 /nfs/dbraw/zinc/21/59/09/570215909.db2.gz FDOJTQQCJFFHBA-GOSISDBHSA-N 1 2 384.484 1.718 40 0 GDABLO Cc1nc([C@H]2CCCC[N@@H+]2Cc2cnn(C)c2)ncc1C(=O)N1CCOCC1 ZINC000019751915 570215911 /nfs/dbraw/zinc/21/59/11/570215911.db2.gz FDOJTQQCJFFHBA-GOSISDBHSA-N 1 2 384.484 1.718 40 0 GDABLO O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)NCC[NH+]1CCOCC1 ZINC000019937719 570232173 /nfs/dbraw/zinc/23/21/73/570232173.db2.gz ZWFACGAYFOEHLY-UHFFFAOYSA-N 1 2 376.844 1.081 40 0 GDABLO O=C(NCCc1c[nH+]c[nH]1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 ZINC000101505276 570275563 /nfs/dbraw/zinc/27/55/63/570275563.db2.gz GNXSUEORZGBLIA-IYBDPMFKSA-N 1 2 390.509 1.853 40 0 GDABLO O=C(NCCc1c[nH]c[nH+]1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 ZINC000101505276 570275566 /nfs/dbraw/zinc/27/55/66/570275566.db2.gz GNXSUEORZGBLIA-IYBDPMFKSA-N 1 2 390.509 1.853 40 0 GDABLO C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCn1cc[nH+]c1 ZINC000225782682 570616744 /nfs/dbraw/zinc/61/67/44/570616744.db2.gz MUUMWIMXFDCBEM-CQSZACIVSA-N 1 2 380.470 1.253 40 0 GDABLO COCCN1C(=O)CC[C@@H](C(=O)NCCc2c[nH+]c[nH]2)[C@@H]1c1ccccc1F ZINC000257203402 570760099 /nfs/dbraw/zinc/76/00/99/570760099.db2.gz APVQTQPDAQRMDY-APWZRJJASA-N 1 2 388.443 1.834 40 0 GDABLO COCCN1C(=O)CC[C@@H](C(=O)NCCc2c[nH]c[nH+]2)[C@@H]1c1ccccc1F ZINC000257203402 570760105 /nfs/dbraw/zinc/76/01/05/570760105.db2.gz APVQTQPDAQRMDY-APWZRJJASA-N 1 2 388.443 1.834 40 0 GDABLO CO[C@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)oc(=O)n3C)C[C@@]12CCCO2 ZINC000257274880 570773754 /nfs/dbraw/zinc/77/37/54/570773754.db2.gz NNAMTNLAVDTKSG-LPHOPBHVSA-N 1 2 375.425 1.340 40 0 GDABLO CO[C@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)oc(=O)n3C)C[C@@]12CCCO2 ZINC000257274880 570773759 /nfs/dbraw/zinc/77/37/59/570773759.db2.gz NNAMTNLAVDTKSG-LPHOPBHVSA-N 1 2 375.425 1.340 40 0 GDABLO Cc1cc(C)n(CCNC(=O)[C@]2(C)CCCN(C(=O)CCn3cc[nH+]c3)C2)n1 ZINC000257275247 570774047 /nfs/dbraw/zinc/77/40/47/570774047.db2.gz NONFIKPCAHBWIZ-HXUWFJFHSA-N 1 2 386.500 1.532 40 0 GDABLO CCOC(=O)[C@@H]1CCC[N@H+](Cc2nc(N)nc(Nc3cccc(OC)c3)n2)C1 ZINC000017078857 570917758 /nfs/dbraw/zinc/91/77/58/570917758.db2.gz YPGYFPLWAKFHAT-CYBMUJFWSA-N 1 2 386.456 1.981 40 0 GDABLO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2nc(N)nc(Nc3cccc(OC)c3)n2)C1 ZINC000017078857 570917761 /nfs/dbraw/zinc/91/77/61/570917761.db2.gz YPGYFPLWAKFHAT-CYBMUJFWSA-N 1 2 386.456 1.981 40 0 GDABLO Cc1cncc(C(=O)N2Cc3c[nH+]cn3[C@H](C(=O)NCc3cccnc3)C2)c1 ZINC000585095902 570922742 /nfs/dbraw/zinc/92/27/42/570922742.db2.gz ACJWRIPJBIOSNF-SFHVURJKSA-N 1 2 376.420 1.495 40 0 GDABLO CNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000019824812 570930084 /nfs/dbraw/zinc/93/00/84/570930084.db2.gz HLDCRKQFBNQRDG-UHFFFAOYSA-N 1 2 390.509 1.175 40 0 GDABLO COc1nn(CC(=O)N2CC[NH+](Cc3ccccn3)CC2)c(=O)c2ccccc21 ZINC000019594895 571020267 /nfs/dbraw/zinc/02/02/67/571020267.db2.gz HLTIIYJNEVHQER-UHFFFAOYSA-N 1 2 393.447 1.145 40 0 GDABLO C[N@@H+]1CCCC[C@H]1c1nnc2n1CCN(C(=O)CN1CCCCCC1=O)CC2 ZINC000019706453 571032492 /nfs/dbraw/zinc/03/24/92/571032492.db2.gz DCCMOXZCRXEYSN-INIZCTEOSA-N 1 2 388.516 1.222 40 0 GDABLO C[N@H+]1CCCC[C@H]1c1nnc2n1CCN(C(=O)CN1CCCCCC1=O)CC2 ZINC000019706453 571032494 /nfs/dbraw/zinc/03/24/94/571032494.db2.gz DCCMOXZCRXEYSN-INIZCTEOSA-N 1 2 388.516 1.222 40 0 GDABLO Cc1n[nH]cc1C(=O)N1CCC[C@@H]1c1ccc(C(=O)N2CC[NH+](C)CC2)cn1 ZINC000019708253 571033201 /nfs/dbraw/zinc/03/32/01/571033201.db2.gz JHUALPDVQVEOOV-GOSISDBHSA-N 1 2 382.468 1.478 40 0 GDABLO C[NH+]1CCN(C(=O)c2ccc([C@H]3CCCN3C(=O)c3csnn3)nc2)CC1 ZINC000019708212 571033292 /nfs/dbraw/zinc/03/32/92/571033292.db2.gz PARBBXWLASCYDI-MRXNPFEDSA-N 1 2 386.481 1.298 40 0 GDABLO O=C(NCCCn1cc[nH+]c1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000019868941 530568267 /nfs/dbraw/zinc/56/82/67/530568267.db2.gz RBLXDCMNLHUAJC-AWEZNQCLSA-N 1 2 382.511 1.552 40 0 GDABLO COCCc1ncc(C[N@@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)cn1 ZINC000012121929 221155061 /nfs/dbraw/zinc/15/50/61/221155061.db2.gz SUGGKJMOXHOSNX-UHFFFAOYSA-N 1 2 378.436 1.781 40 0 GDABLO COCCc1ncc(C[N@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)cn1 ZINC000012121929 221155065 /nfs/dbraw/zinc/15/50/65/221155065.db2.gz SUGGKJMOXHOSNX-UHFFFAOYSA-N 1 2 378.436 1.781 40 0 GDABLO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cnc(N(C)C)nc2)C3)C1 ZINC000012132540 221157197 /nfs/dbraw/zinc/15/71/97/221157197.db2.gz GYDANBZNZDZMNN-CQSZACIVSA-N 1 2 383.500 1.421 40 0 GDABLO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cnc(N(C)C)nc2)C3)C1 ZINC000012132540 221157199 /nfs/dbraw/zinc/15/71/99/221157199.db2.gz GYDANBZNZDZMNN-CQSZACIVSA-N 1 2 383.500 1.421 40 0 GDABLO CC1CCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cnc(N(C)C)nc2)C3)CC1 ZINC000012132597 221158142 /nfs/dbraw/zinc/15/81/42/221158142.db2.gz JZNAVIMKCKTHEU-UHFFFAOYSA-N 1 2 383.500 1.421 40 0 GDABLO CC1CCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cnc(N(C)C)nc2)C3)CC1 ZINC000012132597 221158144 /nfs/dbraw/zinc/15/81/44/221158144.db2.gz JZNAVIMKCKTHEU-UHFFFAOYSA-N 1 2 383.500 1.421 40 0 GDABLO O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)NCCCn1cc[nH+]c1 ZINC000016428871 221361440 /nfs/dbraw/zinc/36/14/40/221361440.db2.gz MGPZMOLCHQUPIH-UHFFFAOYSA-N 1 2 392.481 1.253 40 0 GDABLO CN(C)c1nc(N2CCOCC2)[nH+]c2c1CCN(C(=O)c1ccccc1)CC2 ZINC000096254868 136185848 /nfs/dbraw/zinc/18/58/48/136185848.db2.gz RDAOPPJXUAWIFC-UHFFFAOYSA-N 1 2 381.480 1.620 40 0 GDABLO CN(C)c1nc(N2CCOCC2)[nH+]cc1NC(=O)c1ccc(Br)o1 ZINC000224359949 136207008 /nfs/dbraw/zinc/20/70/08/136207008.db2.gz GJWRNNBXHOQUAR-UHFFFAOYSA-N 1 2 396.245 1.987 40 0 GDABLO CS(=O)(=O)c1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3c[nH+]c[nH]3)n2)cc1 ZINC000072321991 222226324 /nfs/dbraw/zinc/22/63/24/222226324.db2.gz FLWSXQRWOAQBRC-KRWDZBQOSA-N 1 2 387.465 1.777 40 0 biogenic,in-vitro GDABLO CS(=O)(=O)c1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3c[nH]c[nH+]3)n2)cc1 ZINC000072321991 222226327 /nfs/dbraw/zinc/22/63/27/222226327.db2.gz FLWSXQRWOAQBRC-KRWDZBQOSA-N 1 2 387.465 1.777 40 0 biogenic,in-vitro GDABLO Cc1nc(CN2CCOC[C@]3(C[N@H+](Cc4cnn(C)c4)CCO3)C2)cs1 ZINC000096049811 222374373 /nfs/dbraw/zinc/37/43/73/222374373.db2.gz BJNGUOZNFMFVMD-SFHVURJKSA-N 1 2 377.514 1.288 40 0 GDABLO Cc1nc(CN2CCOC[C@]3(C[N@@H+](Cc4cnn(C)c4)CCO3)C2)cs1 ZINC000096049811 222374376 /nfs/dbraw/zinc/37/43/76/222374376.db2.gz BJNGUOZNFMFVMD-SFHVURJKSA-N 1 2 377.514 1.288 40 0 GDABLO CC(C)CNS(=O)(=O)c1ccc(OCC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000408593399 528066423 /nfs/dbraw/zinc/06/64/23/528066423.db2.gz NMNLGZMUSMGVQX-UHFFFAOYSA-N 1 2 394.497 1.403 40 0 GDABLO COc1cccc([C@H]2NC3=[NH+]CN(CCO)CN3c3nc4ccccc4n32)c1 ZINC000019960430 570233608 /nfs/dbraw/zinc/23/36/08/570233608.db2.gz CMNMWVPMPAEXPU-SFHVURJKSA-N 1 2 378.436 1.580 40 0 GDABLO Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1CC[NH+](C)CC1 ZINC000020061681 570238491 /nfs/dbraw/zinc/23/84/91/570238491.db2.gz GBWPWMWSAKEWDW-UHFFFAOYSA-N 1 2 379.526 1.947 40 0 GDABLO COc1ccc(N2C(=O)C[C@@H]([NH+]3CCC4(CC3)OCCO4)C2=O)cc1OC ZINC000104346168 570301634 /nfs/dbraw/zinc/30/16/34/570301634.db2.gz HEHRQGRTRGPWQQ-CQSZACIVSA-N 1 2 376.409 1.175 40 0 GDABLO COCC(=O)N[C@H]1[C@H](c2cccs2)[N@H+](Cc2ccncc2)CC[C@@]1(C)O ZINC000604383107 570353678 /nfs/dbraw/zinc/35/36/78/570353678.db2.gz JFWDDPZQTUFNPY-GBESFXJTSA-N 1 2 375.494 1.972 40 0 biogenic,in-vitro GDABLO COCC(=O)N[C@H]1[C@H](c2cccs2)[N@@H+](Cc2ccncc2)CC[C@@]1(C)O ZINC000604383107 570353681 /nfs/dbraw/zinc/35/36/81/570353681.db2.gz JFWDDPZQTUFNPY-GBESFXJTSA-N 1 2 375.494 1.972 40 0 biogenic,in-vitro GDABLO CN(C)c1cc(N2CC3(C2)OCC[C@@H]3CCOCC2CCOCC2)nc[nH+]1 ZINC000248143869 570720937 /nfs/dbraw/zinc/72/09/37/570720937.db2.gz UZXHTCGEXZXGHM-KRWDZBQOSA-N 1 2 376.501 1.971 40 0 GDABLO CN(C)c1cc(N2CC3(C2)OCC[C@@H]3CCOCC2CCOCC2)[nH+]cn1 ZINC000248143869 570720939 /nfs/dbraw/zinc/72/09/39/570720939.db2.gz UZXHTCGEXZXGHM-KRWDZBQOSA-N 1 2 376.501 1.971 40 0 GDABLO CCS(=O)(=O)NC[C@@H]1CN(CCOCc2ccccc2)Cc2c[nH+]cn21 ZINC000253488548 570733196 /nfs/dbraw/zinc/73/31/96/570733196.db2.gz BBHCUZWXOICCPJ-GOSISDBHSA-N 1 2 378.498 1.396 40 0 GDABLO CCn1c(=O)oc2cc(NC(=O)C[N@@H+]3CC[C@H](O)[C@]4(CCCO4)C3)ccc21 ZINC000257208205 570761078 /nfs/dbraw/zinc/76/10/78/570761078.db2.gz BLDHUKXRGBOCOS-LPHOPBHVSA-N 1 2 375.425 1.169 40 0 GDABLO CCn1c(=O)oc2cc(NC(=O)C[N@H+]3CC[C@H](O)[C@]4(CCCO4)C3)ccc21 ZINC000257208205 570761083 /nfs/dbraw/zinc/76/10/83/570761083.db2.gz BLDHUKXRGBOCOS-LPHOPBHVSA-N 1 2 375.425 1.169 40 0 GDABLO CCn1c2ccc(NC(=O)C[N@@H+]3CC[C@H](OC)[C@]4(CCCO4)C3)cc2oc1=O ZINC000257306747 570779022 /nfs/dbraw/zinc/77/90/22/570779022.db2.gz SVQXCPPUOSZWJB-PXNSSMCTSA-N 1 2 389.452 1.823 40 0 GDABLO CCn1c2ccc(NC(=O)C[N@H+]3CC[C@H](OC)[C@]4(CCCO4)C3)cc2oc1=O ZINC000257306747 570779023 /nfs/dbraw/zinc/77/90/23/570779023.db2.gz SVQXCPPUOSZWJB-PXNSSMCTSA-N 1 2 389.452 1.823 40 0 GDABLO Cc1cc(C[N@H+]2Cc3cccn3C[C@H](CCNS(=O)(=O)C3CC3)C2)no1 ZINC000585095314 570921702 /nfs/dbraw/zinc/92/17/02/570921702.db2.gz OYNGIFBCGXIJSF-OAHLLOKOSA-N 1 2 378.498 1.888 40 0 GDABLO Cc1cc(C[N@@H+]2Cc3cccn3C[C@H](CCNS(=O)(=O)C3CC3)C2)no1 ZINC000585095314 570921704 /nfs/dbraw/zinc/92/17/04/570921704.db2.gz OYNGIFBCGXIJSF-OAHLLOKOSA-N 1 2 378.498 1.888 40 0 GDABLO O=C(NCCCn1cc[nH+]c1)C1=NO[C@]2(C1)CCCN(Cc1ccccn1)C2 ZINC000585101305 570926977 /nfs/dbraw/zinc/92/69/77/570926977.db2.gz XBHKCLOAYSEPJD-FQEVSTJZSA-N 1 2 382.468 1.596 40 0 GDABLO COC(=O)[C@]1(Cc2ccccc2)[NH2+][C@H](c2cccs2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000019586893 570927672 /nfs/dbraw/zinc/92/76/72/570927672.db2.gz PWTAHIRMPVWDQI-UIVXKWKOSA-N 1 2 384.457 1.778 40 0 GDABLO Cn1cnc(S(=O)(=O)N2Cc3c[nH+]cn3[C@@H](COCC3CCCC3)C2)c1 ZINC000306141809 570945189 /nfs/dbraw/zinc/94/51/89/570945189.db2.gz WGVVGIFVHFGHKM-MRXNPFEDSA-N 1 2 379.486 1.569 40 0 GDABLO COc1ccc([C@H](CNC(=O)NC[C@H]2CCS(=O)(=O)C2)[NH+]2CCCC2)cc1 ZINC000045654634 570962250 /nfs/dbraw/zinc/96/22/50/570962250.db2.gz JJVYKGXONHXQKY-QAPCUYQASA-N 1 2 395.525 1.566 40 0 GDABLO CC1(C)C(=O)N[C@@H]2CCCC[C@@H]2N1C(=O)CN1CC[NH+](Cc2ccccn2)CC1 ZINC000019460316 570988432 /nfs/dbraw/zinc/98/84/32/570988432.db2.gz MCGSTNVABFBQSO-MOPGFXCFSA-N 1 2 399.539 1.247 40 0 GDABLO CN1c2ncccc2C(=O)N[C@H]1c1ccc(NC(=O)C[NH+]2CCC(O)CC2)cc1 ZINC000019590926 571018725 /nfs/dbraw/zinc/01/87/25/571018725.db2.gz MPYMFRFARWSJSV-LJQANCHMSA-N 1 2 395.463 1.355 40 0 GDABLO Cc1cc(F)ccc1S(=O)(=O)N1CCc2nnc([C@H]3CCC[N@H+]3C)n2CC1 ZINC000019706511 571032231 /nfs/dbraw/zinc/03/22/31/571032231.db2.gz LWUBNBNQDFAECY-OAHLLOKOSA-N 1 2 393.488 1.739 40 0 GDABLO Cc1cc(F)ccc1S(=O)(=O)N1CCc2nnc([C@H]3CCC[N@@H+]3C)n2CC1 ZINC000019706511 571032234 /nfs/dbraw/zinc/03/22/34/571032234.db2.gz LWUBNBNQDFAECY-OAHLLOKOSA-N 1 2 393.488 1.739 40 0 GDABLO Cn1ncc(Br)c1C[N@@H+]1CC(F)(F)C[C@]2(CCCNC2=O)C1 ZINC000306127872 532053128 /nfs/dbraw/zinc/05/31/28/532053128.db2.gz GJRAVEUTOPIFLM-CYBMUJFWSA-N 1 2 377.233 1.920 40 0 GDABLO Cn1ncc(Br)c1C[N@H+]1CC(F)(F)C[C@]2(CCCNC2=O)C1 ZINC000306127872 532053136 /nfs/dbraw/zinc/05/31/36/532053136.db2.gz GJRAVEUTOPIFLM-CYBMUJFWSA-N 1 2 377.233 1.920 40 0 GDABLO COc1ccc(CC(=O)N[C@H]2C[C@@H](c3nc(-c4cnccn4)no3)[N@H+](C)C2)cc1 ZINC000012529700 291110519 /nfs/dbraw/zinc/11/05/19/291110519.db2.gz AXLNSMOHVPBXFG-YOEHRIQHSA-N 1 2 394.435 1.639 40 0 biogenic,in-vitro GDABLO COc1ccc(CC(=O)N[C@H]2C[C@@H](c3nc(-c4cnccn4)no3)[N@@H+](C)C2)cc1 ZINC000012529700 291110524 /nfs/dbraw/zinc/11/05/24/291110524.db2.gz AXLNSMOHVPBXFG-YOEHRIQHSA-N 1 2 394.435 1.639 40 0 biogenic,in-vitro GDABLO CC(C)[C@H](CO)Nc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc[nH+]1 ZINC000329050862 212095018 /nfs/dbraw/zinc/09/50/18/212095018.db2.gz UVIVUIXVNJGONI-INIZCTEOSA-N 1 2 391.497 1.116 40 0 GDABLO CC(C)[C@H](CO)Nc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)[nH+]cn1 ZINC000329050862 212095020 /nfs/dbraw/zinc/09/50/20/212095020.db2.gz UVIVUIXVNJGONI-INIZCTEOSA-N 1 2 391.497 1.116 40 0 GDABLO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cnc(N(C)C)nc2)C3)C1 ZINC000012132545 221157230 /nfs/dbraw/zinc/15/72/30/221157230.db2.gz GYDANBZNZDZMNN-AWEZNQCLSA-N 1 2 383.500 1.421 40 0 GDABLO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cnc(N(C)C)nc2)C3)C1 ZINC000012132545 221157232 /nfs/dbraw/zinc/15/72/32/221157232.db2.gz GYDANBZNZDZMNN-AWEZNQCLSA-N 1 2 383.500 1.421 40 0 GDABLO Cc1cc2c(o1)c1cnn(CC(=O)NCCc3c[nH+]c[nH]3)c(=O)c1n2C(C)C ZINC000012145127 221159255 /nfs/dbraw/zinc/15/92/55/221159255.db2.gz LFPMMMSUCCEIOT-UHFFFAOYSA-N 1 2 382.424 1.916 40 0 GDABLO Cc1cc2c(o1)c1cnn(CC(=O)NCCc3c[nH]c[nH+]3)c(=O)c1n2C(C)C ZINC000012145127 221159257 /nfs/dbraw/zinc/15/92/57/221159257.db2.gz LFPMMMSUCCEIOT-UHFFFAOYSA-N 1 2 382.424 1.916 40 0 GDABLO COc1ccc(CNC(=O)[C@@H]2Cc3[nH]c[nH+]c3CN2Cc2ccc(CO)o2)cc1 ZINC000015676248 221339795 /nfs/dbraw/zinc/33/97/95/221339795.db2.gz ZCYQTAAMYVLIKT-FQEVSTJZSA-N 1 2 396.447 1.747 40 0 biogenic,in-vitro GDABLO COc1ccc(CNC(=O)[C@@H]2Cc3[nH+]c[nH]c3CN2Cc2ccc(CO)o2)cc1 ZINC000015676248 221339797 /nfs/dbraw/zinc/33/97/97/221339797.db2.gz ZCYQTAAMYVLIKT-FQEVSTJZSA-N 1 2 396.447 1.747 40 0 biogenic,in-vitro GDABLO CCOC(=O)[C@]1(CCSC)[NH2+][C@H](c2cccs2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000020150448 221475565 /nfs/dbraw/zinc/47/55/65/221475565.db2.gz WFTMLNLONYZUPY-SFDCBXKLSA-N 1 2 382.507 1.678 40 0 GDABLO Cc1noc(C)c1C(=O)N1CCc2[nH+]c(N3CCOCC3)nc(NC3CC3)c2C1 ZINC000096254146 136185839 /nfs/dbraw/zinc/18/58/39/136185839.db2.gz MZFGNXISUVLNQE-UHFFFAOYSA-N 1 2 398.467 1.691 40 0 GDABLO O=C(Nc1ccccc1)[C@H]1CC(=O)NC(N2CCN(c3ccccn3)CC2)=[NH+]1 ZINC000014607040 136201590 /nfs/dbraw/zinc/20/15/90/136201590.db2.gz WXEOIJOMZQCKPF-MRXNPFEDSA-N 1 2 378.436 1.087 40 0 GDABLO C[NH+]1CCN(S(=O)(=O)c2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2)CC1 ZINC000100884092 222463775 /nfs/dbraw/zinc/46/37/75/222463775.db2.gz FPKGBYKNSQJROE-IRXDYDNUSA-N 1 2 391.493 1.302 40 0 GDABLO CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000222909924 517549369 /nfs/dbraw/zinc/54/93/69/517549369.db2.gz NXPHBRMRSKAHJK-MRXNPFEDSA-N 1 2 379.476 1.791 40 0 GDABLO CC(C)CNC(=O)Nc1ccc(S(=O)(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000408598268 528049940 /nfs/dbraw/zinc/04/99/40/528049940.db2.gz YQLIJMBXGQFJJK-UHFFFAOYSA-N 1 2 398.529 1.465 40 0 GDABLO CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000408608568 528054004 /nfs/dbraw/zinc/05/40/04/528054004.db2.gz RJLYADNXKINCRN-OAHLLOKOSA-N 1 2 383.514 1.162 40 0 GDABLO COCC(=O)Nc1ccc(-c2noc([C@@H]3CCCN3Cc3[nH]cc[nH+]3)n2)cn1 ZINC000035425704 560080202 /nfs/dbraw/zinc/08/02/02/560080202.db2.gz STIZGKTUVVLTPJ-ZDUSSCGKSA-N 1 2 383.412 1.777 40 0 biogenic,in-vitro GDABLO CC(C)Cc1[nH+]c2ccccc2n1CC(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000019719104 570210273 /nfs/dbraw/zinc/21/02/73/570210273.db2.gz HLMRYKWWDPHAAP-UHFFFAOYSA-N 1 2 397.479 1.778 40 0 GDABLO Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)Nc3[nH+]c(N4CCOCC4)nc(N)c32)c1 ZINC000019819939 570222542 /nfs/dbraw/zinc/22/25/42/570222542.db2.gz QOBAKLJOWFLXJM-CQSZACIVSA-N 1 2 396.451 1.577 40 0 GDABLO COC(=O)[C@@]1(CCSC)[NH2+][C@@H](c2ccc(C)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000020150453 570244560 /nfs/dbraw/zinc/24/45/60/570244560.db2.gz IUXZIYJEOUPSCW-QZNHQWIBSA-N 1 2 376.478 1.535 40 0 GDABLO COC(=O)[C@@]1(CCSC)[NH2+][C@@H](c2ccccc2C)[C@@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000020150449 570244593 /nfs/dbraw/zinc/24/45/93/570244593.db2.gz JHVNIDDSVODKDM-QZNHQWIBSA-N 1 2 376.478 1.535 40 0 GDABLO Nc1nc(N2CCCCC2)[nH+]c2c1[C@@H](C(=O)NCCc1ccccc1)CC(=O)N2 ZINC000020674074 570274815 /nfs/dbraw/zinc/27/48/15/570274815.db2.gz GJEMUVQJYVUXHF-HNNXBMFYSA-N 1 2 394.479 1.834 40 0 GDABLO CC(C)n1c[nH+]c2c1[C@H](C(=O)N1CCC[C@@H](O)C1)N(Cc1cccnc1)CC2 ZINC000107186484 570308631 /nfs/dbraw/zinc/30/86/31/570308631.db2.gz UJXGUNMNUZJEEQ-YLJYHZDGSA-N 1 2 383.496 1.942 40 0 GDABLO CCOC(=O)CNC(=O)CSc1[nH+]cnc2c1cnn2-c1ccccc1C ZINC000004230916 570621978 /nfs/dbraw/zinc/62/19/78/570621978.db2.gz ATXCRJABBLEDKG-UHFFFAOYSA-N 1 2 385.449 1.895 40 0 GDABLO CS(=O)(=O)NCC[C@@H]1C[N@H+](CCOCc2ccccc2)Cc2ccnn21 ZINC000247555696 570715650 /nfs/dbraw/zinc/71/56/50/570715650.db2.gz XFEBXFSWEXQXSF-GOSISDBHSA-N 1 2 378.498 1.396 40 0 GDABLO CS(=O)(=O)NCC[C@@H]1C[N@@H+](CCOCc2ccccc2)Cc2ccnn21 ZINC000247555696 570715653 /nfs/dbraw/zinc/71/56/53/570715653.db2.gz XFEBXFSWEXQXSF-GOSISDBHSA-N 1 2 378.498 1.396 40 0 GDABLO CCN1C(=O)CC[C@@H](C(=O)NCC[NH+]2CCOCC2)[C@@H]1c1cccc(OC)c1 ZINC000257212674 570761637 /nfs/dbraw/zinc/76/16/37/570761637.db2.gz CELNOBBHEMPPPE-QUCCMNQESA-N 1 2 389.496 1.443 40 0 GDABLO Cc1[nH+]cc(-c2cncc(C[C@H]3CCCN(S(=O)(=O)N(C)C)C3)n2)n1C ZINC000257218277 570762762 /nfs/dbraw/zinc/76/27/62/570762762.db2.gz DCMYANOBJGWSQP-CQSZACIVSA-N 1 2 378.502 1.246 40 0 GDABLO COCCN1CC[C@]2(CN(C(=O)Cc3ccco3)C[C@H]2c2cn(C)c[nH+]2)C1=O ZINC000306133118 570941069 /nfs/dbraw/zinc/94/10/69/570941069.db2.gz MCQIEQGNNKQNPO-OXJNMPFZSA-N 1 2 386.452 1.047 40 0 GDABLO C[N@@H+]1CCCC[C@@H]1c1nnc2n1CCN(C(=O)c1ccc3c(c1)OCCO3)CC2 ZINC000019706174 571032333 /nfs/dbraw/zinc/03/23/33/571032333.db2.gz GWECMXOLPUUZBC-MRXNPFEDSA-N 1 2 397.479 1.905 40 0 GDABLO C[N@H+]1CCCC[C@@H]1c1nnc2n1CCN(C(=O)c1ccc3c(c1)OCCO3)CC2 ZINC000019706174 571032336 /nfs/dbraw/zinc/03/23/36/571032336.db2.gz GWECMXOLPUUZBC-MRXNPFEDSA-N 1 2 397.479 1.905 40 0 GDABLO CCN(CC)S(=O)(=O)N1CCC[C@@H](c2nc3c(c(C)[nH+]2)CCCN3C)C1 ZINC000019706946 571032837 /nfs/dbraw/zinc/03/28/37/571032837.db2.gz TXZDZGSUYBUQGG-OAHLLOKOSA-N 1 2 381.546 1.933 40 0 GDABLO CC1(C)CN(C(=O)c2ccccc2)C[C@@H]2CN(C(=O)C3CCOCC3)CC[N@@H+]21 ZINC000253402858 212136364 /nfs/dbraw/zinc/13/63/64/212136364.db2.gz OXQMZSIHSJFACB-IBGZPJMESA-N 1 2 385.508 1.860 40 0 biogenic,in-vitro GDABLO CC1(C)CN(C(=O)c2ccccc2)C[C@@H]2CN(C(=O)C3CCOCC3)CC[N@H+]21 ZINC000253402858 212136367 /nfs/dbraw/zinc/13/63/67/212136367.db2.gz OXQMZSIHSJFACB-IBGZPJMESA-N 1 2 385.508 1.860 40 0 biogenic,in-vitro GDABLO Cc1ccc([C@@H](O)C[NH+]2CCN(S(=O)(=O)N3CCCCC3)CC2)c(C)c1 ZINC000019132501 221397435 /nfs/dbraw/zinc/39/74/35/221397435.db2.gz CWZHHKHZDNHWBA-IBGZPJMESA-N 1 2 381.542 1.685 40 0 GDABLO Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)Nc3[nH+]c(N4CCOCC4)nc(N)c32)c1 ZINC000019819941 221457722 /nfs/dbraw/zinc/45/77/22/221457722.db2.gz QOBAKLJOWFLXJM-AWEZNQCLSA-N 1 2 396.451 1.577 40 0 GDABLO COC(=O)[C@]1(Cc2ccccc2)[NH2+][C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000231644169 533627147 /nfs/dbraw/zinc/62/71/47/533627147.db2.gz UMUQOMBAHXGJOJ-OZQHCQBDSA-N 1 2 394.427 1.422 40 0 GDABLO CC(C)Nc1nc(N2CCOCC2)[nH+]c2c1CN(C(=O)Cc1ccccn1)CC2 ZINC000096254282 136185978 /nfs/dbraw/zinc/18/59/78/136185978.db2.gz WTWAUGFYKMIICI-UHFFFAOYSA-N 1 2 396.495 1.656 40 0 GDABLO CS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000066871719 222141135 /nfs/dbraw/zinc/14/11/35/222141135.db2.gz QAEZDUXOOPPJID-UHFFFAOYSA-N 1 2 391.474 1.754 40 0 GDABLO CNc1ncccc1C[N@@H+]1CCC[C@H](c2cc(C(=O)N3CCOCC3)n[nH]2)C1 ZINC000072380634 222244549 /nfs/dbraw/zinc/24/45/49/222244549.db2.gz RDCXKDSTRQDHGX-HNNXBMFYSA-N 1 2 384.484 1.698 40 0 GDABLO CNc1ncccc1C[N@H+]1CCC[C@H](c2cc(C(=O)N3CCOCC3)n[nH]2)C1 ZINC000072380634 222244552 /nfs/dbraw/zinc/24/45/52/222244552.db2.gz RDCXKDSTRQDHGX-HNNXBMFYSA-N 1 2 384.484 1.698 40 0 GDABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(O[C@H](C)C(=O)NC(C)C)cc2)CC1 ZINC000408605747 529150451 /nfs/dbraw/zinc/15/04/51/529150451.db2.gz NJQKGUONRGVLLA-OAHLLOKOSA-N 1 2 383.514 1.305 40 0 GDABLO CN(C)C(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1CN(S(=O)(=O)C1CC1)CCC2 ZINC000096251271 570224658 /nfs/dbraw/zinc/22/46/58/570224658.db2.gz SGIAXRONGVNMLD-BEFAXECRSA-N 1 2 392.525 1.180 40 0 GDABLO COc1ccc(N2C(=O)C[C@H]([NH+]3CCC4(CC3)OCCO4)C2=O)c(OC)c1 ZINC000020634553 570273386 /nfs/dbraw/zinc/27/33/86/570273386.db2.gz RHJNOGCXMNBKOS-HNNXBMFYSA-N 1 2 376.409 1.175 40 0 GDABLO COCCNC(=O)[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2)Cc2ccnn21 ZINC000247880643 570716717 /nfs/dbraw/zinc/71/67/17/570716717.db2.gz PXIYFUBOVVGXKJ-KRWDZBQOSA-N 1 2 378.860 1.735 40 0 GDABLO COCCNC(=O)[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2)Cc2ccnn21 ZINC000247880643 570716720 /nfs/dbraw/zinc/71/67/20/570716720.db2.gz PXIYFUBOVVGXKJ-KRWDZBQOSA-N 1 2 378.860 1.735 40 0 GDABLO CCCN1CC[N@H+](CC(N)=O)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000257241025 570768371 /nfs/dbraw/zinc/76/83/71/570768371.db2.gz HWIJMQLHXQTKSX-LJQANCHMSA-N 1 2 380.492 1.947 40 0 GDABLO CCCN1CC[N@@H+](CC(N)=O)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000257241025 570768372 /nfs/dbraw/zinc/76/83/72/570768372.db2.gz HWIJMQLHXQTKSX-LJQANCHMSA-N 1 2 380.492 1.947 40 0 GDABLO CC[N@H+](Cc1ccccc1OCC(=O)[O-])C[C@@]1(C)Cc2c(nc(N)[nH+]c2N)O1 ZINC000257305185 570778969 /nfs/dbraw/zinc/77/89/69/570778969.db2.gz SOTMFHKPBCTQKZ-LJQANCHMSA-N 1 2 387.440 1.320 40 0 GDABLO CC[N@@H+](Cc1ccccc1OCC(=O)[O-])C[C@@]1(C)Cc2c(nc(N)[nH+]c2N)O1 ZINC000257305185 570778971 /nfs/dbraw/zinc/77/89/71/570778971.db2.gz SOTMFHKPBCTQKZ-LJQANCHMSA-N 1 2 387.440 1.320 40 0 GDABLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2=O)C1 ZINC000017079620 570918211 /nfs/dbraw/zinc/91/82/11/570918211.db2.gz FFTPMCKOVRMCDU-CZUORRHYSA-N 1 2 390.436 1.611 40 0 GDABLO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2=O)C1 ZINC000017079620 570918214 /nfs/dbraw/zinc/91/82/14/570918214.db2.gz FFTPMCKOVRMCDU-CZUORRHYSA-N 1 2 390.436 1.611 40 0 GDABLO O=S(=O)(NCC[C@@H]1Cn2nccc2C[N@H+](Cc2cccnc2)C1)C1CC1 ZINC000306128123 570937848 /nfs/dbraw/zinc/93/78/48/570937848.db2.gz GQQNMPQNWOCYIV-INIZCTEOSA-N 1 2 375.498 1.382 40 0 GDABLO O=S(=O)(NCC[C@@H]1Cn2nccc2C[N@@H+](Cc2cccnc2)C1)C1CC1 ZINC000306128123 570937850 /nfs/dbraw/zinc/93/78/50/570937850.db2.gz GQQNMPQNWOCYIV-INIZCTEOSA-N 1 2 375.498 1.382 40 0 GDABLO CN(C)c1nc(N2CCOCC2)[nH+]c2c1CN(C(=O)Cc1ccc(F)cc1)CC2 ZINC000034756091 570948204 /nfs/dbraw/zinc/94/82/04/570948204.db2.gz SIISNAXCYXGZLI-UHFFFAOYSA-N 1 2 399.470 1.646 40 0 GDABLO CC1(C)C(=O)N[C@H]2CCCC[C@H]2N1C(=O)CN1CC[NH+](Cc2ccccn2)CC1 ZINC000019460311 570988489 /nfs/dbraw/zinc/98/84/89/570988489.db2.gz MCGSTNVABFBQSO-RBUKOAKNSA-N 1 2 399.539 1.247 40 0 GDABLO CCn1cc(C[NH+]2CCN(C(=O)c3ccnc(N4CCOCC4)c3)CC2)c(C)n1 ZINC000019524578 570996327 /nfs/dbraw/zinc/99/63/27/570996327.db2.gz NVVWXQUVNLDZKF-UHFFFAOYSA-N 1 2 398.511 1.401 40 0 GDABLO COC(=O)[C@]1(Cc2ccccc2)[NH2+][C@@H](c2ccc(O)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000019586881 571015525 /nfs/dbraw/zinc/01/55/25/571015525.db2.gz UMUQOMBAHXGJOJ-BZDHPDOMSA-N 1 2 394.427 1.422 40 0 GDABLO Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)NCCCn1cc[nH+]c1 ZINC000408598109 231074355 /nfs/dbraw/zinc/07/43/55/231074355.db2.gz ZXWVJZQLSDDUGM-UHFFFAOYSA-N 1 2 394.497 1.464 40 0 GDABLO C[C@H]1C[C@@H]1C(=O)N1CC[C@]2(C1)COCc1cnc(NCc3c[nH+]cn3C)nc12 ZINC000306126048 222795210 /nfs/dbraw/zinc/79/52/10/222795210.db2.gz DKPQMJVGMZMXOF-RISOHXOYSA-N 1 2 382.468 1.479 40 0 GDABLO CN1CC[NH+](CCNc2cc(-c3ccccn3)nc(NC3CCCC3)n2)CC1 ZINC000328998668 212092314 /nfs/dbraw/zinc/09/23/14/212092314.db2.gz JUHNBNDGPAYZIV-UHFFFAOYSA-N 1 2 381.528 1.396 40 0 GDABLO CN(C)c1nc2c(c(N3CCC[C@@H](C(N)=O)C3)n1)C[N@H+](Cc1ccccc1)CC2 ZINC000012183307 221162308 /nfs/dbraw/zinc/16/23/08/221162308.db2.gz HAZDZHLXXANMFB-QGZVFWFLSA-N 1 2 394.523 1.803 40 0 GDABLO CN(C)c1nc2c(c(N3CCC[C@@H](C(N)=O)C3)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC000012183307 221162311 /nfs/dbraw/zinc/16/23/11/221162311.db2.gz HAZDZHLXXANMFB-QGZVFWFLSA-N 1 2 394.523 1.803 40 0 GDABLO C[N@@H+]1C[C@@H](NC(=O)NCc2ccccc2)C[C@H]1c1nc(-c2cncnc2)no1 ZINC000012530116 221203201 /nfs/dbraw/zinc/20/32/01/221203201.db2.gz FNQMZDNJBXLVFA-HOTGVXAUSA-N 1 2 379.424 1.771 40 0 biogenic,in-vitro GDABLO C[N@H+]1C[C@@H](NC(=O)NCc2ccccc2)C[C@H]1c1nc(-c2cncnc2)no1 ZINC000012530116 221203205 /nfs/dbraw/zinc/20/32/05/221203205.db2.gz FNQMZDNJBXLVFA-HOTGVXAUSA-N 1 2 379.424 1.771 40 0 biogenic,in-vitro GDABLO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(F)cc3)c2)CC1 ZINC000015961300 221353303 /nfs/dbraw/zinc/35/33/03/221353303.db2.gz KYXAOUAJTHTMOA-UHFFFAOYSA-N 1 2 391.468 1.692 40 0 GDABLO CCN(CC(=O)NCCCn1cc[nH+]c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000016678169 221367431 /nfs/dbraw/zinc/36/74/31/221367431.db2.gz XGCFCMJLLDAMHH-UHFFFAOYSA-N 1 2 380.470 1.109 40 0 GDABLO CC(C)(C)OC(=O)NCCc1cc(N2CCOCC2)nc(N2CCCC2)[nH+]1 ZINC000019083258 221395844 /nfs/dbraw/zinc/39/58/44/221395844.db2.gz WASGJBAVYCNPNO-UHFFFAOYSA-N 1 2 377.489 1.981 40 0 GDABLO Cc1ccc(C)c(N(CCCC(=O)NCC[NH+]2CCOCC2)S(C)(=O)=O)c1 ZINC000408702876 533671896 /nfs/dbraw/zinc/67/18/96/533671896.db2.gz JHQZZLVKVCDFDB-UHFFFAOYSA-N 1 2 397.541 1.298 40 0 GDABLO Cn1nccc1-c1cnc2n1CC[N@H+](C)C21CCN(C(=O)c2ccncc2)CC1 ZINC000096263331 570226673 /nfs/dbraw/zinc/22/66/73/570226673.db2.gz NZNQOUACCNKMFA-UHFFFAOYSA-N 1 2 391.479 1.756 40 0 GDABLO Cn1nccc1-c1cnc2n1CC[N@@H+](C)C21CCN(C(=O)c2ccncc2)CC1 ZINC000096263331 570226675 /nfs/dbraw/zinc/22/66/75/570226675.db2.gz NZNQOUACCNKMFA-UHFFFAOYSA-N 1 2 391.479 1.756 40 0 GDABLO Cn1cc(-c2ccc3ccc(-n4ccc(C(=O)N5CC[NH+](C)CC5)n4)n3c2)cn1 ZINC000096267013 570227255 /nfs/dbraw/zinc/22/72/55/570227255.db2.gz PPLVNAITGWLGAS-UHFFFAOYSA-N 1 2 389.463 1.913 40 0 GDABLO CCOC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3cc(OC)ccc3OC)C2=O)CC1 ZINC000020634629 570273399 /nfs/dbraw/zinc/27/33/99/570273399.db2.gz QUIPUWHZJWDDLH-INIZCTEOSA-N 1 2 390.436 1.611 40 0 GDABLO CCNc1nc(N2CC[NH+](CCO)CC2)nc2c1C(=O)C[C@H](c1ccco1)C2 ZINC000020801942 570281732 /nfs/dbraw/zinc/28/17/32/570281732.db2.gz OGIHNCHWTMFWNN-CQSZACIVSA-N 1 2 385.468 1.528 40 0 GDABLO O=C(c1cc(N2CCOCC2)on1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000224081889 570497606 /nfs/dbraw/zinc/49/76/06/570497606.db2.gz POZPHOBFLJBIJF-QPJJXVBHSA-N 1 2 382.464 1.982 40 0 GDABLO Cc1cc(Sc2ncccn2)nc(NC(=S)NCC[NH+]2CCOCC2)n1 ZINC000225905390 570632057 /nfs/dbraw/zinc/63/20/57/570632057.db2.gz SRPABULEEDKYMW-UHFFFAOYSA-N 1 2 391.526 1.345 40 0 GDABLO Cc1ccc(CN2CC3(C2)C[N@H+](CC2CC2)[C@H](C(=O)N2CCCO2)CO3)o1 ZINC000248051315 570720486 /nfs/dbraw/zinc/72/04/86/570720486.db2.gz AYBAGVNTQMUJQG-SFHVURJKSA-N 1 2 375.469 1.417 40 0 GDABLO Cc1ccc(CN2CC3(C2)C[N@@H+](CC2CC2)[C@H](C(=O)N2CCCO2)CO3)o1 ZINC000248051315 570720488 /nfs/dbraw/zinc/72/04/88/570720488.db2.gz AYBAGVNTQMUJQG-SFHVURJKSA-N 1 2 375.469 1.417 40 0 GDABLO Cn1cnc(S(=O)(=O)N2CC3(C2)OCC[C@H]3CCNc2cccc[nH+]2)c1 ZINC000248044138 570720504 /nfs/dbraw/zinc/72/05/04/570720504.db2.gz PDCPJWQYGYARRM-CQSZACIVSA-N 1 2 377.470 1.097 40 0 GDABLO CC(C)[N@@H+]1CCN(C(=O)CCn2c3ccc(Cl)cc3oc2=O)C[C@H]1C(N)=O ZINC000257207541 570761133 /nfs/dbraw/zinc/76/11/33/570761133.db2.gz BIFQECLXXWVUSD-AWEZNQCLSA-N 1 2 394.859 1.045 40 0 GDABLO CC(C)[N@H+]1CCN(C(=O)CCn2c3ccc(Cl)cc3oc2=O)C[C@H]1C(N)=O ZINC000257207541 570761136 /nfs/dbraw/zinc/76/11/36/570761136.db2.gz BIFQECLXXWVUSD-AWEZNQCLSA-N 1 2 394.859 1.045 40 0 GDABLO COCCNC(=O)CN1CCO[C@@H](c2ccc(Nc3cccc(C)[nH+]3)cn2)C1 ZINC000257232821 570765712 /nfs/dbraw/zinc/76/57/12/570765712.db2.gz GMOOXSHFPXPVEC-GOSISDBHSA-N 1 2 385.468 1.665 40 0 GDABLO C[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H]2c2nc(-c3ccncc3)cc(=O)[nH]2)C[C@H](C)O1 ZINC000019497418 570926251 /nfs/dbraw/zinc/92/62/51/570926251.db2.gz RMAVHMJFOYPHLU-RVKKMQEKSA-N 1 2 397.479 1.605 40 0 GDABLO C[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H]2c2nc(-c3ccncc3)cc(=O)[nH]2)C[C@H](C)O1 ZINC000019497418 570926257 /nfs/dbraw/zinc/92/62/57/570926257.db2.gz RMAVHMJFOYPHLU-RVKKMQEKSA-N 1 2 397.479 1.605 40 0 GDABLO CCS(=O)(=O)CC[N@H+]1Cc2ccnn2C[C@H](CCNc2ncccn2)C1 ZINC000306126978 570937511 /nfs/dbraw/zinc/93/75/11/570937511.db2.gz FKUSPGVZLHGUMC-OAHLLOKOSA-N 1 2 378.502 1.042 40 0 GDABLO CCS(=O)(=O)CC[N@@H+]1Cc2ccnn2C[C@H](CCNc2ncccn2)C1 ZINC000306126978 570937515 /nfs/dbraw/zinc/93/75/15/570937515.db2.gz FKUSPGVZLHGUMC-OAHLLOKOSA-N 1 2 378.502 1.042 40 0 GDABLO CCS(=O)(=O)N1C[C@H](c2cn(C(C)C)c[nH+]2)[C@]2(CCN(CC3CC3)C2=O)C1 ZINC000306129634 570938597 /nfs/dbraw/zinc/93/85/97/570938597.db2.gz IIRHJGCLMPNOOK-APWZRJJASA-N 1 2 394.541 1.842 40 0 GDABLO CNC(=O)[C@@H]1COC2(CN(C(=O)/C=C/c3cccs3)C2)C[N@@H+]1CC1CC1 ZINC000306142488 570945799 /nfs/dbraw/zinc/94/57/99/570945799.db2.gz XAMNSYPNOYXQID-MOEXGYKKSA-N 1 2 375.494 1.199 40 0 GDABLO CNC(=O)[C@@H]1COC2(CN(C(=O)/C=C/c3cccs3)C2)C[N@H+]1CC1CC1 ZINC000306142488 570945800 /nfs/dbraw/zinc/94/58/00/570945800.db2.gz XAMNSYPNOYXQID-MOEXGYKKSA-N 1 2 375.494 1.199 40 0 GDABLO C[N@@H+]1CC[C@@H](COCc2ccncc2)CC12CN(S(=O)(=O)C(F)(F)F)C2 ZINC000306143008 570945882 /nfs/dbraw/zinc/94/58/82/570945882.db2.gz XQPFOJCTHLPWDJ-CQSZACIVSA-N 1 2 393.431 1.844 40 0 GDABLO C[N@H+]1CC[C@@H](COCc2ccncc2)CC12CN(S(=O)(=O)C(F)(F)F)C2 ZINC000306143008 570945886 /nfs/dbraw/zinc/94/58/86/570945886.db2.gz XQPFOJCTHLPWDJ-CQSZACIVSA-N 1 2 393.431 1.844 40 0 GDABLO COc1ccc2c(c1)c(C[NH+]1CCN(C[C@H]3CCCO3)CC1)cn2CC(N)=O ZINC000019369366 570980614 /nfs/dbraw/zinc/98/06/14/570980614.db2.gz PAJUKFVOWIVAKX-GOSISDBHSA-N 1 2 386.496 1.432 40 0 GDABLO CCn1cc(S(=O)(=O)N2CCc3nc([C@H]4CCCC[N@@H+]4C)ncc3C2)cn1 ZINC000019525090 570996878 /nfs/dbraw/zinc/99/68/78/570996878.db2.gz TZVKNECFEZDVRZ-QGZVFWFLSA-N 1 2 390.513 1.597 40 0 GDABLO CCn1cc(S(=O)(=O)N2CCc3nc([C@H]4CCCC[N@H+]4C)ncc3C2)cn1 ZINC000019525090 570996882 /nfs/dbraw/zinc/99/68/82/570996882.db2.gz TZVKNECFEZDVRZ-QGZVFWFLSA-N 1 2 390.513 1.597 40 0 GDABLO COc1ccc(C[N@@H+]2CCc3nc(-c4cnccn4)[nH]c(=O)c3C2)c(OC)c1 ZINC000019552469 571001354 /nfs/dbraw/zinc/00/13/54/571001354.db2.gz BPVXTINCTDFDSJ-UHFFFAOYSA-N 1 2 379.420 1.802 40 0 GDABLO COc1ccc(C[N@H+]2CCc3nc(-c4cnccn4)[nH]c(=O)c3C2)c(OC)c1 ZINC000019552469 571001355 /nfs/dbraw/zinc/00/13/55/571001355.db2.gz BPVXTINCTDFDSJ-UHFFFAOYSA-N 1 2 379.420 1.802 40 0 GDABLO CN(C)S(=O)(=O)N1CC[NH+](Cc2c3cccnc3[nH]c2C(F)(F)F)CC1 ZINC000019583712 571014799 /nfs/dbraw/zinc/01/47/99/571014799.db2.gz GSBMMHGOHZAIHS-UHFFFAOYSA-N 1 2 391.419 1.506 40 0 GDABLO COC(=O)c1ccc(OC)c(Nc2cc(-c3ccccc3)[nH+]c(NCCO)n2)c1 ZINC000329044940 212095362 /nfs/dbraw/zinc/09/53/62/212095362.db2.gz SZAPEAUQOZOEKR-UHFFFAOYSA-N 1 2 394.431 1.930 40 0 GDABLO OCCNc1nc(NC[C@@H]2CCCO2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328962465 212090003 /nfs/dbraw/zinc/09/00/03/212090003.db2.gz BHZQQHJXTGJTJN-AWEZNQCLSA-N 1 2 398.385 1.881 40 0 GDABLO Cn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NCCCN2CCCC2=O)C1 ZINC000012143613 221159103 /nfs/dbraw/zinc/15/91/03/221159103.db2.gz CYRLYFDAFHRXAX-MRXNPFEDSA-N 1 2 383.496 1.918 40 0 GDABLO COC(=O)[C@@H]1Cc2[nH+]cn(C)c2CN1S(=O)(=O)c1ccc2ccccc2c1 ZINC000015676550 221340139 /nfs/dbraw/zinc/34/01/39/221340139.db2.gz YGQQLIMKYPXRQR-KRWDZBQOSA-N 1 2 385.445 1.862 40 0 biogenic,in-vitro GDABLO CNC(=O)c1cc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)s1 ZINC000019200793 221399790 /nfs/dbraw/zinc/39/97/90/221399790.db2.gz SSDCSLLXSFNJNI-UHFFFAOYSA-N 1 2 393.534 1.923 40 0 GDABLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(C(=O)c4ccncc4)CC3)C2=O)cs1 ZINC000096077178 222377083 /nfs/dbraw/zinc/37/70/83/222377083.db2.gz KHFXURURYFLTGA-UHFFFAOYSA-N 1 2 399.520 1.796 40 0 GDABLO Cc1nc(CN2CC[N@H+](C)C3(CCN(C(=O)c4ccncc4)CC3)C2=O)cs1 ZINC000096077178 222377086 /nfs/dbraw/zinc/37/70/86/222377086.db2.gz KHFXURURYFLTGA-UHFFFAOYSA-N 1 2 399.520 1.796 40 0 GDABLO CC(C)n1c[nH+]c2c1[C@H](C(=O)N1CCC[C@H](O)C1)N(Cc1cccnc1)CC2 ZINC000096147256 222389426 /nfs/dbraw/zinc/38/94/26/222389426.db2.gz UJXGUNMNUZJEEQ-FXAWDEMLSA-N 1 2 383.496 1.942 40 0 GDABLO CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000408596223 526334900 /nfs/dbraw/zinc/33/49/00/526334900.db2.gz TWJGIUPDKKXBFV-UHFFFAOYSA-N 1 2 394.497 1.545 40 0 GDABLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(=O)n(CC(=O)NC2CCCC2)c1)C1CC1 ZINC000019749302 570214726 /nfs/dbraw/zinc/21/47/26/570214726.db2.gz HFVWDRQZHKSMRD-LJQANCHMSA-N 1 2 397.479 1.522 40 0 GDABLO CC(C)C[N@@H+]1CCNC(=O)C12CCN(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000096230180 570221222 /nfs/dbraw/zinc/22/12/22/570221222.db2.gz IFTOWRPRKSZHPM-UHFFFAOYSA-N 1 2 383.489 1.437 40 0 GDABLO CC(C)C[N@H+]1CCNC(=O)C12CCN(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000096230180 570221223 /nfs/dbraw/zinc/22/12/23/570221223.db2.gz IFTOWRPRKSZHPM-UHFFFAOYSA-N 1 2 383.489 1.437 40 0 GDABLO Cc1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2NC(=O)C(Cl)(Cl)Cl)cc1 ZINC000575420001 570307439 /nfs/dbraw/zinc/30/74/39/570307439.db2.gz CZPLJPSEANCBIJ-NEPJUHHUSA-N 1 2 399.727 1.737 40 0 GDABLO COc1ccc(CN(C(=O)C(C)C)[C@H](C)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000222987537 570435161 /nfs/dbraw/zinc/43/51/61/570435161.db2.gz NKAVECIYMVAFQM-QGZVFWFLSA-N 1 2 391.512 1.517 40 0 GDABLO CCN(CC)C(=O)[C@@H]1CCC[N@H+](CN2c3ccccc3C3(OCCO3)C2=O)C1 ZINC000039380660 570444791 /nfs/dbraw/zinc/44/47/91/570444791.db2.gz YRYAAZMCQTVCRG-MRXNPFEDSA-N 1 2 387.480 1.771 40 0 GDABLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](CN2c3ccccc3C3(OCCO3)C2=O)C1 ZINC000039380660 570444794 /nfs/dbraw/zinc/44/47/94/570444794.db2.gz YRYAAZMCQTVCRG-MRXNPFEDSA-N 1 2 387.480 1.771 40 0 GDABLO CNC(=O)[C@@H]1COC2(CN(C(=O)c3cc(C)c(C)s3)C2)C[N@@H+]1CC1CC1 ZINC000251991285 570726555 /nfs/dbraw/zinc/72/65/55/570726555.db2.gz JCALFAZUVVXCDP-HNNXBMFYSA-N 1 2 377.510 1.416 40 0 GDABLO CNC(=O)[C@@H]1COC2(CN(C(=O)c3cc(C)c(C)s3)C2)C[N@H+]1CC1CC1 ZINC000251991285 570726558 /nfs/dbraw/zinc/72/65/58/570726558.db2.gz JCALFAZUVVXCDP-HNNXBMFYSA-N 1 2 377.510 1.416 40 0 GDABLO CC(=O)NCCCCCC(=O)N1CCC[C@@]2(Cc3c([nH+]c(N)nc3N)O2)CC1 ZINC000257344297 570785117 /nfs/dbraw/zinc/78/51/17/570785117.db2.gz ZWNGYTWPYSBXPU-IBGZPJMESA-N 1 2 390.488 1.024 40 0 GDABLO CC(=O)NCCCCCC(=O)N1CCC[C@@]2(Cc3c(nc(N)[nH+]c3N)O2)CC1 ZINC000257344297 570785119 /nfs/dbraw/zinc/78/51/19/570785119.db2.gz ZWNGYTWPYSBXPU-IBGZPJMESA-N 1 2 390.488 1.024 40 0 GDABLO CNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000019823583 570930070 /nfs/dbraw/zinc/93/00/70/570930070.db2.gz PTLOCIKYKLUITN-UHFFFAOYSA-N 1 2 388.537 1.783 40 0 GDABLO Cn1c[nH+]c([C@@H]2CN(C(=O)c3ccncc3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306127542 570937365 /nfs/dbraw/zinc/93/73/65/570937365.db2.gz GBIVSGNPQBFTQM-UWJYYQICSA-N 1 2 379.464 1.683 40 0 GDABLO Cn1nccc1C(=O)N1CCC2(CC1)C[N@H+](C)Cc1nnc(-c3ccccc3)n12 ZINC000306139822 570944289 /nfs/dbraw/zinc/94/42/89/570944289.db2.gz UBOMJJGVEWVHDK-UHFFFAOYSA-N 1 2 391.479 1.756 40 0 GDABLO Cn1nccc1C(=O)N1CCC2(CC1)C[N@@H+](C)Cc1nnc(-c3ccccc3)n12 ZINC000306139822 570944290 /nfs/dbraw/zinc/94/42/90/570944290.db2.gz UBOMJJGVEWVHDK-UHFFFAOYSA-N 1 2 391.479 1.756 40 0 GDABLO COc1ccc([C@H](CNC(=O)NC[C@@H]2CCS(=O)(=O)C2)[NH+]2CCCC2)cc1 ZINC000045654630 570962284 /nfs/dbraw/zinc/96/22/84/570962284.db2.gz JJVYKGXONHXQKY-YJBOKZPZSA-N 1 2 395.525 1.566 40 0 GDABLO O=C(C[N@@H+]1CCc2nc(N3CCCCC3)[nH]c(=O)c2C1)NCc1cccs1 ZINC000019343727 570977310 /nfs/dbraw/zinc/97/73/10/570977310.db2.gz DLNVYEJUTQJUAK-UHFFFAOYSA-N 1 2 387.509 1.496 40 0 GDABLO O=C(C[N@H+]1CCc2nc(N3CCCCC3)[nH]c(=O)c2C1)NCc1cccs1 ZINC000019343727 570977314 /nfs/dbraw/zinc/97/73/14/570977314.db2.gz DLNVYEJUTQJUAK-UHFFFAOYSA-N 1 2 387.509 1.496 40 0 GDABLO COc1ccc(OC)c(C[N@@H+]2CCc3nc(-c4cnccn4)[nH]c(=O)c3C2)c1 ZINC000019551637 571001345 /nfs/dbraw/zinc/00/13/45/571001345.db2.gz OBDQZWRPQQNSLG-UHFFFAOYSA-N 1 2 379.420 1.802 40 0 GDABLO COc1ccc(OC)c(C[N@H+]2CCc3nc(-c4cnccn4)[nH]c(=O)c3C2)c1 ZINC000019551637 571001346 /nfs/dbraw/zinc/00/13/46/571001346.db2.gz OBDQZWRPQQNSLG-UHFFFAOYSA-N 1 2 379.420 1.802 40 0 GDABLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc2nccc(-c3ccc(F)cc3)n2n1 ZINC000019715648 571037197 /nfs/dbraw/zinc/03/71/97/571037197.db2.gz FONMWQMPSAMCIS-AWEZNQCLSA-N 1 2 383.427 1.986 40 0 GDABLO CC(C)Nc1[nH+]c2cc(Cl)c(Cl)cc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000032066965 530604886 /nfs/dbraw/zinc/60/48/86/530604886.db2.gz KJFBVJALEQWJBS-AAVRWANBSA-N 1 2 376.240 1.775 40 0 GDABLO CCn1c2ccc(S(=O)(=O)NCCC[NH+]3CCOCC3)cc2sc1=O ZINC000225696501 531031033 /nfs/dbraw/zinc/03/10/33/531031033.db2.gz CBPIGCAICGTHPV-UHFFFAOYSA-N 1 2 385.511 1.084 40 0 GDABLO Cc1c(C(=O)N2CCO[C@@H](c3cccc(-c4ccc(N)[nH+]c4)n3)C2)cnn1C ZINC000257249136 222764193 /nfs/dbraw/zinc/76/41/93/222764193.db2.gz JGYKKJRANOIYOX-GOSISDBHSA-N 1 2 378.436 1.981 40 0 GDABLO CCCn1c[nH+]c2c1CN(S(=O)(=O)Cc1ccccc1)[C@H](C(=O)OC)C2 ZINC000015706970 291107252 /nfs/dbraw/zinc/10/72/52/291107252.db2.gz IKDXLTOHDIHLFH-INIZCTEOSA-N 1 2 377.466 1.723 40 0 biogenic,in-vitro GDABLO CC(=O)Nc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3cnccn3)no2)cc1 ZINC000015674054 221338904 /nfs/dbraw/zinc/33/89/04/221338904.db2.gz IUJGEEJMSXQUKE-WBVHZDCISA-N 1 2 380.408 1.793 40 0 biogenic,in-vitro GDABLO CC(=O)Nc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3cnccn3)no2)cc1 ZINC000015674054 221338906 /nfs/dbraw/zinc/33/89/06/221338906.db2.gz IUJGEEJMSXQUKE-WBVHZDCISA-N 1 2 380.408 1.793 40 0 biogenic,in-vitro GDABLO CCn1c2cc(C)oc2c2cnn(CC(=O)NCCCn3cc[nH+]c3)c(=O)c21 ZINC000072335357 222230591 /nfs/dbraw/zinc/23/05/91/222230591.db2.gz UJISAORUUXDQAB-UHFFFAOYSA-N 1 2 382.424 1.676 40 0 GDABLO CNc1ncccc1C[N@@H+]1CCC[C@@H](c2cc(C(=O)N3CCOCC3)n[nH]2)C1 ZINC000072380635 222245549 /nfs/dbraw/zinc/24/55/49/222245549.db2.gz RDCXKDSTRQDHGX-OAHLLOKOSA-N 1 2 384.484 1.698 40 0 GDABLO CNc1ncccc1C[N@H+]1CCC[C@@H](c2cc(C(=O)N3CCOCC3)n[nH]2)C1 ZINC000072380635 222245555 /nfs/dbraw/zinc/24/55/55/222245555.db2.gz RDCXKDSTRQDHGX-OAHLLOKOSA-N 1 2 384.484 1.698 40 0 GDABLO CC(C)NS(=O)(=O)c1ccc(OCC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000408597496 527757286 /nfs/dbraw/zinc/75/72/86/527757286.db2.gz XAFPNMRCXUVTBN-UHFFFAOYSA-N 1 2 380.470 1.155 40 0 GDABLO O=C(c1ccccc1)N1C[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3ccccc3)C2)C1 ZINC000514289235 560033185 /nfs/dbraw/zinc/03/31/85/560033185.db2.gz KAOMTLREQYWDSS-LEWJYISDSA-N 1 2 377.488 1.832 40 0 biogenic,in-vitro GDABLO CCCCN1C(=O)[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3ccccc3Cl)C2)C1=O ZINC000225384411 560043973 /nfs/dbraw/zinc/04/39/73/560043973.db2.gz ODQZFRXQDMGUCK-WBVHZDCISA-N 1 2 391.899 1.499 40 0 biogenic,in-vitro GDABLO O=C(NCCN1CC[NH+](Cc2ccccc2F)CC1)C(=O)Nc1ccccc1 ZINC000019831528 570223279 /nfs/dbraw/zinc/22/32/79/570223279.db2.gz JJIVZDFCHXGWON-UHFFFAOYSA-N 1 2 384.455 1.698 40 0 GDABLO COC(=O)[C@]1(Cc2ccccc2)[NH2+][C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000100419963 570271994 /nfs/dbraw/zinc/27/19/94/570271994.db2.gz UMUQOMBAHXGJOJ-VDNWNZSNSA-N 1 2 394.427 1.422 40 0 GDABLO Cc1ccccc1NC(=O)[C@H]1CC(=O)Nc2[nH+]c(N3CCOCC3)nc(N)c21 ZINC000020800015 570280989 /nfs/dbraw/zinc/28/09/89/570280989.db2.gz FEWNFJAUYOKQTO-LBPRGKRZSA-N 1 2 382.424 1.268 40 0 GDABLO O=C(NCC[NH+]1CCOCC1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000022874280 570332517 /nfs/dbraw/zinc/33/25/17/570332517.db2.gz RNGFHYFRGVZVDO-UHFFFAOYSA-N 1 2 389.477 1.549 40 0 GDABLO CNC(=O)[C@@H]1COC2(CN(C(=O)c3cc4c(s3)CCC4)C2)C[N@@H+]1CC1CC1 ZINC000575406725 570522860 /nfs/dbraw/zinc/52/28/60/570522860.db2.gz ZXOINISIPWJQHE-HNNXBMFYSA-N 1 2 389.521 1.288 40 0 GDABLO CNC(=O)[C@@H]1COC2(CN(C(=O)c3cc4c(s3)CCC4)C2)C[N@H+]1CC1CC1 ZINC000575406725 570522864 /nfs/dbraw/zinc/52/28/64/570522864.db2.gz ZXOINISIPWJQHE-HNNXBMFYSA-N 1 2 389.521 1.288 40 0 GDABLO CCc1cc(=O)[nH]c(NC2CC[NH+](CC(=O)Nc3ccc4c(c3)OCO4)CC2)n1 ZINC000012113702 570609668 /nfs/dbraw/zinc/60/96/68/570609668.db2.gz XPXVYRKSHCAMMN-UHFFFAOYSA-N 1 2 399.451 1.576 40 0 GDABLO CC(C)NC(=O)[C@@H]1CN(Cc2ccc(S(C)(=O)=O)cc2)Cc2c[nH+]cn21 ZINC000247989509 570719231 /nfs/dbraw/zinc/71/92/31/570719231.db2.gz KBFZLIFRSPGVNQ-KRWDZBQOSA-N 1 2 376.482 1.368 40 0 GDABLO Cc1[nH+]cc(-c2ccc(C[C@@H]3CCCN(S(=O)(=O)N(C)C)C3)cn2)n1C ZINC000257231675 570765561 /nfs/dbraw/zinc/76/55/61/570765561.db2.gz GHUNNTRFBMOQPF-INIZCTEOSA-N 1 2 377.514 1.851 40 0 GDABLO C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000012481546 570807211 /nfs/dbraw/zinc/80/72/11/570807211.db2.gz NSTJLCQVEVEDON-YJBOKZPZSA-N 1 2 379.526 1.931 40 0 GDABLO CN1c2ncccc2C(=O)N[C@@H]1c1ccc(NC(=O)C[NH+]2CCSCC2)cc1 ZINC000072341146 570881086 /nfs/dbraw/zinc/88/10/86/570881086.db2.gz ORULWDREBXRLDG-SFHVURJKSA-N 1 2 397.504 1.947 40 0 GDABLO CC[C@H](c1nnnn1CCOC)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019500637 570926943 /nfs/dbraw/zinc/92/69/43/570926943.db2.gz HXNBDSQPXBJFLI-MRXNPFEDSA-N 1 2 388.472 1.317 40 0 GDABLO COCCN1CC[C@@]2(CN(C(=O)Cc3ccco3)C[C@@H]2c2cn(C)c[nH+]2)C1=O ZINC000306133120 570941008 /nfs/dbraw/zinc/94/10/08/570941008.db2.gz MCQIEQGNNKQNPO-UZLBHIALSA-N 1 2 386.452 1.047 40 0 GDABLO Cc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3NC(=O)c2ccoc2)oc1C ZINC000306140294 570944831 /nfs/dbraw/zinc/94/48/31/570944831.db2.gz UPAZITKDCVFZQV-FGTMMUONSA-N 1 2 392.477 1.907 40 0 GDABLO Cc1cc(C[N@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3NC(=O)c2ccoc2)oc1C ZINC000306140294 570944833 /nfs/dbraw/zinc/94/48/33/570944833.db2.gz UPAZITKDCVFZQV-FGTMMUONSA-N 1 2 392.477 1.907 40 0 GDABLO Nc1c(C(=O)C2CCN(C(=O)Cn3cc[nH+]c3)CC2)cnn1-c1ccccc1 ZINC000019374462 570981604 /nfs/dbraw/zinc/98/16/04/570981604.db2.gz QQPSVNYSZMYEOH-UHFFFAOYSA-N 1 2 378.436 1.773 40 0 GDABLO COc1cc(CC(=O)N2CCO[C@@H](Cn3cc[nH+]c3)C2)cc(OC)c1OC ZINC000019549640 571000255 /nfs/dbraw/zinc/00/02/55/571000255.db2.gz BQXLHXDACFTGOK-HNNXBMFYSA-N 1 2 375.425 1.379 40 0 GDABLO C[NH+](C)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000243319567 531055888 /nfs/dbraw/zinc/05/58/88/531055888.db2.gz LMMMYBBHKQMCLU-CYBMUJFWSA-N 1 2 380.919 1.079 40 0 GDABLO COC(=O)[C@]1(CCSC)[NH2+][C@H](c2ccccc2C)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000221996779 212115148 /nfs/dbraw/zinc/11/51/48/212115148.db2.gz JHVNIDDSVODKDM-DEXNDLTESA-N 1 2 376.478 1.535 40 0 GDABLO Cc1[nH+]c2cc(NC(=O)Cn3nc(-c4ccco4)cc(N)c3=O)ccc2n1C ZINC000012146707 221160562 /nfs/dbraw/zinc/16/05/62/221160562.db2.gz IUNUQQMZSYFJHU-UHFFFAOYSA-N 1 2 378.392 1.919 40 0 GDABLO Cn1cc[nH+]c1CN1C(=O)CO[C@H](c2ccc(NC(=O)C3CC3)cc2)[C@H]1CO ZINC000072321487 222225720 /nfs/dbraw/zinc/22/57/20/222225720.db2.gz NBBCCMNDUVPFAZ-VQIMIIECSA-N 1 2 384.436 1.230 40 0 biogenic,in-vitro GDABLO CCN(CC)C(=O)C[N@@H+]1CCC[C@H]1c1nc(C)ncc1C(=O)N1CCOCC1 ZINC000019766750 520481708 /nfs/dbraw/zinc/48/17/08/520481708.db2.gz VSYOCZZZAFDGLP-KRWDZBQOSA-N 1 2 389.500 1.263 40 0 GDABLO CCN(CC)C(=O)C[N@H+]1CCC[C@H]1c1nc(C)ncc1C(=O)N1CCOCC1 ZINC000019766750 520481716 /nfs/dbraw/zinc/48/17/16/520481716.db2.gz VSYOCZZZAFDGLP-KRWDZBQOSA-N 1 2 389.500 1.263 40 0 GDABLO CCOc1ccc(N(CC(=O)NCCCn2cc[nH+]c2)S(C)(=O)=O)cc1 ZINC000408619425 528478090 /nfs/dbraw/zinc/47/80/90/528478090.db2.gz MMHQXAZSTBZJQN-UHFFFAOYSA-N 1 2 380.470 1.254 40 0 GDABLO COc1ccc(Cl)cc1N1C(=O)C[C@H]([NH+]2CCC3(CC2)OCCO3)C1=O ZINC000020634526 570273513 /nfs/dbraw/zinc/27/35/13/570273513.db2.gz HVNZTBQDDHJPQW-AWEZNQCLSA-N 1 2 380.828 1.819 40 0 GDABLO COc1ccc([C@H](CN2C(=S)N[C@H]3CS(=O)(=O)C[C@H]32)[NH+]2CCCC2)cc1 ZINC000575420175 570307712 /nfs/dbraw/zinc/30/77/12/570307712.db2.gz ABLBYIBMYQNWFH-YESZJQIVSA-N 1 2 395.550 1.188 40 0 GDABLO O=C(c1ccccc1F)N1C[C@@H]2COCCN2C2(C[NH+](Cc3cccnc3)C2)C1 ZINC000604381909 570352810 /nfs/dbraw/zinc/35/28/10/570352810.db2.gz UYBUIFIOVJNJPE-GOSISDBHSA-N 1 2 396.466 1.632 40 0 biogenic,in-vitro GDABLO O=C(NCC[NH+]1CCOCC1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000030859697 570499193 /nfs/dbraw/zinc/49/91/93/570499193.db2.gz KXUSCUIVIAULTF-UHFFFAOYSA-N 1 2 395.525 1.064 40 0 GDABLO COc1cccc(NC(=O)C[NH+]2CCC(Nc3nc(C)c(C)c(=O)[nH]3)CC2)c1 ZINC000012113673 570609791 /nfs/dbraw/zinc/60/97/91/570609791.db2.gz FNSWLGGKHYTAJE-UHFFFAOYSA-N 1 2 385.468 1.910 40 0 GDABLO CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCn1cc[nH+]c1 ZINC000225786495 570617267 /nfs/dbraw/zinc/61/72/67/570617267.db2.gz QCTURGQVRUQQSD-QGZVFWFLSA-N 1 2 394.497 1.643 40 0 GDABLO COc1cc(N2CCCC[C@@H]2C)nc(NC(=S)NCC[NH+]2CCOCC2)n1 ZINC000225902884 570632361 /nfs/dbraw/zinc/63/23/61/570632361.db2.gz HRCQAQJQVOZJEZ-AWEZNQCLSA-N 1 2 394.545 1.483 40 0 GDABLO Cc1[nH+]cc(-c2nccnc2CC2CCN(S(=O)(=O)N(C)C)CC2)n1C ZINC000257200201 570759507 /nfs/dbraw/zinc/75/95/07/570759507.db2.gz ACJOAQNLWAKPQL-UHFFFAOYSA-N 1 2 378.502 1.246 40 0 GDABLO CNC(=O)[C@H]1CN(C(=O)CCn2ccc(C)n2)CC[N@@H+]1CCc1ccccc1 ZINC000257329172 570782464 /nfs/dbraw/zinc/78/24/64/570782464.db2.gz XIUQKDQYDSXIGZ-LJQANCHMSA-N 1 2 383.496 1.083 40 0 GDABLO CNC(=O)[C@H]1CN(C(=O)CCn2ccc(C)n2)CC[N@H+]1CCc1ccccc1 ZINC000257329172 570782469 /nfs/dbraw/zinc/78/24/69/570782469.db2.gz XIUQKDQYDSXIGZ-LJQANCHMSA-N 1 2 383.496 1.083 40 0 GDABLO Cc1nc(CN2CC[C@@]3(CN(C(=O)C4CC4)C[C@@H]3c3cn(C)c[nH+]3)C2=O)cs1 ZINC000306138545 570943926 /nfs/dbraw/zinc/94/39/26/570943926.db2.gz SAEQWHXHZPURPO-UZLBHIALSA-N 1 2 399.520 1.940 40 0 GDABLO Cc1cc(C[N@@H+]2C[C@H]3[C@H](C2)S(=O)(=O)CC[C@@H]3NC(=O)c2ccoc2)oc1C ZINC000306140297 570944584 /nfs/dbraw/zinc/94/45/84/570944584.db2.gz UPAZITKDCVFZQV-SQNIBIBYSA-N 1 2 392.477 1.907 40 0 GDABLO Cc1cc(C[N@H+]2C[C@H]3[C@H](C2)S(=O)(=O)CC[C@@H]3NC(=O)c2ccoc2)oc1C ZINC000306140297 570944590 /nfs/dbraw/zinc/94/45/90/570944590.db2.gz UPAZITKDCVFZQV-SQNIBIBYSA-N 1 2 392.477 1.907 40 0 GDABLO CC1(C)C(=O)N[C@@H]2CCCC[C@H]2N1C(=O)CN1CC[NH+](Cc2ccccn2)CC1 ZINC000019460314 570988466 /nfs/dbraw/zinc/98/84/66/570988466.db2.gz MCGSTNVABFBQSO-RTBURBONSA-N 1 2 399.539 1.247 40 0 GDABLO C[N@@H+]1CCC[C@H]1c1nnc2n1CCN(C(=O)c1ccc3c(c1)OCCO3)CC2 ZINC000019706517 571032352 /nfs/dbraw/zinc/03/23/52/571032352.db2.gz MSKZFSRRQUINGJ-HNNXBMFYSA-N 1 2 383.452 1.515 40 0 GDABLO C[N@H+]1CCC[C@H]1c1nnc2n1CCN(C(=O)c1ccc3c(c1)OCCO3)CC2 ZINC000019706517 571032355 /nfs/dbraw/zinc/03/23/55/571032355.db2.gz MSKZFSRRQUINGJ-HNNXBMFYSA-N 1 2 383.452 1.515 40 0 GDABLO COc1cc(C)ccc1OCC(=O)N1CCC[C@H](c2nnc3n2CC[NH2+]C3)C1 ZINC000019711043 571035295 /nfs/dbraw/zinc/03/52/95/571035295.db2.gz JVTUTJSFCNYVQM-HNNXBMFYSA-N 1 2 385.468 1.483 40 0 GDABLO C[C@H](C(=O)NCCCn1cc[nH+]c1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000408615517 231081241 /nfs/dbraw/zinc/08/12/41/231081241.db2.gz BIHMTRMKYBHELZ-CYBMUJFWSA-N 1 2 384.889 1.898 40 0 GDABLO Cc1ccc(N(CC(=O)NCCCn2cc[nH+]c2)S(C)(=O)=O)cc1Cl ZINC000408620626 231082967 /nfs/dbraw/zinc/08/29/67/231082967.db2.gz PXNPKUOOMCTDEU-UHFFFAOYSA-N 1 2 384.889 1.817 40 0 GDABLO O=C1CO[C@]2(CN1c1ccc(F)c(F)c1)COCCN(c1cccc[nH+]1)C2 ZINC000096240147 136185510 /nfs/dbraw/zinc/18/55/10/136185510.db2.gz CXQMECAVMLSHHG-LJQANCHMSA-N 1 2 375.375 1.999 40 0 GDABLO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NS(=O)(=O)c1ccccc1 ZINC000067124308 222140612 /nfs/dbraw/zinc/14/06/12/222140612.db2.gz ZANIIUHUNZTWQZ-UHFFFAOYSA-N 1 2 389.477 1.884 40 0 GDABLO CCOC(=O)[C@@H]1C[N@H+](Cc2cccnc2)C[C@]12COc1ccccc1C(=O)N2 ZINC000072334314 222229887 /nfs/dbraw/zinc/22/98/87/222229887.db2.gz AJIUWEZIFCASRJ-UWJYYQICSA-N 1 2 381.432 1.638 40 0 GDABLO CCOC(=O)[C@@H]1C[N@@H+](Cc2cccnc2)C[C@]12COc1ccccc1C(=O)N2 ZINC000072334314 222229893 /nfs/dbraw/zinc/22/98/93/222229893.db2.gz AJIUWEZIFCASRJ-UWJYYQICSA-N 1 2 381.432 1.638 40 0 GDABLO Cc1cc(-c2ccc(N)[nH+]c2)cc([C@@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C2)n1 ZINC000072374675 222242234 /nfs/dbraw/zinc/24/22/34/222242234.db2.gz PTFUWOSXMKNJRL-OAHLLOKOSA-N 1 2 390.447 1.758 40 0 GDABLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(C(=O)c4ccco4)CC3)C2=O)cs1 ZINC000096050111 222375334 /nfs/dbraw/zinc/37/53/34/222375334.db2.gz GRUBOGXXYPXVCJ-UHFFFAOYSA-N 1 2 388.493 1.994 40 0 GDABLO Cc1nc(CN2CC[N@H+](C)C3(CCN(C(=O)c4ccco4)CC3)C2=O)cs1 ZINC000096050111 222375340 /nfs/dbraw/zinc/37/53/40/222375340.db2.gz GRUBOGXXYPXVCJ-UHFFFAOYSA-N 1 2 388.493 1.994 40 0 GDABLO CC(C)CNC(=O)[C@H]1CCS(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3F)C[C@@H]21 ZINC000096082968 222377299 /nfs/dbraw/zinc/37/72/99/222377299.db2.gz VLOMROSKCNPALM-LZLYRXPVSA-N 1 2 382.501 1.833 40 0 GDABLO CC(C)CNC(=O)[C@H]1CCS(=O)(=O)[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@@H]21 ZINC000096082968 222377303 /nfs/dbraw/zinc/37/73/03/222377303.db2.gz VLOMROSKCNPALM-LZLYRXPVSA-N 1 2 382.501 1.833 40 0 GDABLO COc1ccccc1[C@@H]1CC(=O)c2c(C)nc(N3CC[NH+](CCO)CC3)nc2C1 ZINC000021123189 570291288 /nfs/dbraw/zinc/29/12/88/570291288.db2.gz BHBNBVSKXQENLU-INIZCTEOSA-N 1 2 396.491 1.821 40 0 GDABLO COc1ccc([C@H](CNC(=S)N[C@H]2C=CS(=O)(=O)C2)[NH+]2CCCC2)cc1 ZINC000575423874 570309332 /nfs/dbraw/zinc/30/93/32/570309332.db2.gz SEYLUQVCBJNJQW-RDJZCZTQSA-N 1 2 395.550 1.607 40 0 GDABLO Cc1ncsc1CN1CC2(C1)C[N@H+](CC1CC1)[C@@H](C(=O)N1CCC1)CO2 ZINC000248065290 570720555 /nfs/dbraw/zinc/72/05/55/570720555.db2.gz WUSXGBFLKUHWEH-MRXNPFEDSA-N 1 2 376.526 1.349 40 0 GDABLO Cc1ncsc1CN1CC2(C1)C[N@@H+](CC1CC1)[C@@H](C(=O)N1CCC1)CO2 ZINC000248065290 570720556 /nfs/dbraw/zinc/72/05/56/570720556.db2.gz WUSXGBFLKUHWEH-MRXNPFEDSA-N 1 2 376.526 1.349 40 0 GDABLO Cc1cc(N2CC[C@@](O)(CNC(=O)c3cccc(Cn4cc[nH+]c4)c3)C2)ncn1 ZINC000257317938 570780944 /nfs/dbraw/zinc/78/09/44/570780944.db2.gz VLTZKHUJYLBDEU-OAQYLSRUSA-N 1 2 392.463 1.401 40 0 GDABLO Cc1cccc(C(=O)N2CCC3(CO[C@H](C[N@H+]4CCN(C)C(=O)C4)C3)CC2)c1 ZINC000585104143 570930033 /nfs/dbraw/zinc/93/00/33/570930033.db2.gz LVYBXSJNRJBRIL-IBGZPJMESA-N 1 2 385.508 1.780 40 0 GDABLO Cc1cccc(C(=O)N2CCC3(CO[C@H](C[N@@H+]4CCN(C)C(=O)C4)C3)CC2)c1 ZINC000585104143 570930035 /nfs/dbraw/zinc/93/00/35/570930035.db2.gz LVYBXSJNRJBRIL-IBGZPJMESA-N 1 2 385.508 1.780 40 0 GDABLO Cc1nc(CN2CC[C@]3(CN(C(=O)C4CC4)C[C@@H]3c3cn(C)c[nH+]3)C2=O)cs1 ZINC000306138544 570943678 /nfs/dbraw/zinc/94/36/78/570943678.db2.gz SAEQWHXHZPURPO-OXQOHEQNSA-N 1 2 399.520 1.940 40 0 GDABLO Cc1c(C[N@@H+]2CCO[C@@]3(CCCC[C@H]3NS(=O)(=O)CC(C)C)C2)cnn1C ZINC000306138910 570943936 /nfs/dbraw/zinc/94/39/36/570943936.db2.gz SKOXJJGHIBTXFA-MOPGFXCFSA-N 1 2 398.573 1.818 40 0 GDABLO Cc1c(C[N@H+]2CCO[C@@]3(CCCC[C@H]3NS(=O)(=O)CC(C)C)C2)cnn1C ZINC000306138910 570943938 /nfs/dbraw/zinc/94/39/38/570943938.db2.gz SKOXJJGHIBTXFA-MOPGFXCFSA-N 1 2 398.573 1.818 40 0 GDABLO NC(=O)C1CCN(C(=O)C[NH+]2CCN(c3nc4ccccc4s3)CC2)CC1 ZINC000019659202 571024925 /nfs/dbraw/zinc/02/49/25/571024925.db2.gz VMWOWTLPGUQKSQ-UHFFFAOYSA-N 1 2 387.509 1.142 40 0 GDABLO Cc1ccc(OCC[NH+]2CCOCC2)c(NC(=O)c2cccn3nnnc23)c1 ZINC000019661835 571026141 /nfs/dbraw/zinc/02/61/41/571026141.db2.gz RHMLVDPZJRQBJU-UHFFFAOYSA-N 1 2 382.424 1.396 40 0 GDABLO Cc1nn(C)cc1C(=O)N1CCC[C@@H]1c1ccc(C(=O)N2CC[NH+](C)CC2)cn1 ZINC000019708264 571033126 /nfs/dbraw/zinc/03/31/26/571033126.db2.gz QCBPXLPZULRESU-LJQANCHMSA-N 1 2 396.495 1.488 40 0 GDABLO CCn1c(SCC(=O)N2CC[NH+](C)CC2)nnc1-c1ccc(OC)cc1 ZINC000097569051 231002793 /nfs/dbraw/zinc/00/27/93/231002793.db2.gz ZXOXHEQEXVHFAY-UHFFFAOYSA-N 1 2 375.498 1.840 40 0 GDABLO OCCN1CC[NH+](C[C@H](O)COc2c(F)cc(Br)cc2F)CC1 ZINC000019360292 530568128 /nfs/dbraw/zinc/56/81/28/530568128.db2.gz AICYGDFTAYTPAI-LBPRGKRZSA-N 1 2 395.244 1.077 40 0 GDABLO Cc1cccc(C[N@H+]2CC[C@@H]3[C@H](CC2)N(S(C)(=O)=O)CCS3(=O)=O)c1 ZINC000096251588 530818277 /nfs/dbraw/zinc/81/82/77/530818277.db2.gz XPIDMPSCMKGQFP-DLBZAZTESA-N 1 2 386.539 1.018 40 0 GDABLO Cc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CC2)N(S(C)(=O)=O)CCS3(=O)=O)c1 ZINC000096251588 530818279 /nfs/dbraw/zinc/81/82/79/530818279.db2.gz XPIDMPSCMKGQFP-DLBZAZTESA-N 1 2 386.539 1.018 40 0 GDABLO Cc1nc(C2CCN(C(=O)Cn3cc[nH+]c3)CC2)nc(N2CCOCC2)c1C ZINC000072337170 136168478 /nfs/dbraw/zinc/16/84/78/136168478.db2.gz VLLAOBKMSJUOPR-UHFFFAOYSA-N 1 2 384.484 1.533 40 0 GDABLO CC[C@]12C[C@]3(C(=O)OC)O[C@H]1[C@@H](O)C[N@@H+]1CCc4c5ccc(OC)cc5n3c4[C@H]12 ZINC000085982438 222325276 /nfs/dbraw/zinc/32/52/76/222325276.db2.gz DFVNOPYNGMIZGL-OWUOWLPPSA-N 1 2 398.459 1.948 40 0 GDABLO CC[C@]12C[C@]3(C(=O)OC)O[C@H]1[C@@H](O)C[N@H+]1CCc4c5ccc(OC)cc5n3c4[C@H]12 ZINC000085982438 222325281 /nfs/dbraw/zinc/32/52/81/222325281.db2.gz DFVNOPYNGMIZGL-OWUOWLPPSA-N 1 2 398.459 1.948 40 0 GDABLO CCN(CC)C(=O)Nc1ccc(S(=O)(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000408598359 528045749 /nfs/dbraw/zinc/04/57/49/528045749.db2.gz ZKDNQVRDHPOCMU-UHFFFAOYSA-N 1 2 398.529 1.561 40 0 GDABLO CCNS(=O)(=O)c1cc(C(=O)NCCCn2cc[nH+]c2)ccc1OCC ZINC000408700929 528375314 /nfs/dbraw/zinc/37/53/14/528375314.db2.gz OIQNUYGRIUNWBK-UHFFFAOYSA-N 1 2 380.470 1.400 40 0 GDABLO CCOc1ccc(N([C@H](C)C(=O)NCCCn2cc[nH+]c2)S(C)(=O)=O)cc1 ZINC000408601516 528480802 /nfs/dbraw/zinc/48/08/02/528480802.db2.gz AFMJTNFIDRPDPN-OAHLLOKOSA-N 1 2 394.497 1.643 40 0 GDABLO CCOc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1NC(=O)CC ZINC000408698072 528581299 /nfs/dbraw/zinc/58/12/99/528581299.db2.gz NGIXONNTDVOTSD-UHFFFAOYSA-N 1 2 380.470 1.999 40 0 GDABLO O=C(c1ccccc1)N1CC2(C1)CN(Cc1ccccc1)C[C@H]1C[C@@H](O)C[N@H+]12 ZINC000514289520 560032509 /nfs/dbraw/zinc/03/25/09/560032509.db2.gz NCOGBHWGQDWVCX-NHCUHLMSSA-N 1 2 377.488 1.832 40 0 biogenic,in-vitro GDABLO O=C(c1ccccc1)N1CC2(C1)CN(Cc1ccccc1)C[C@H]1C[C@@H](O)C[N@@H+]12 ZINC000514289520 560032511 /nfs/dbraw/zinc/03/25/11/560032511.db2.gz NCOGBHWGQDWVCX-NHCUHLMSSA-N 1 2 377.488 1.832 40 0 biogenic,in-vitro GDABLO COc1ccccc1CN1CC2(C1)C[N@H+](Cc1cccnc1)C[C@@H]1C[C@@H](O)CN12 ZINC000514288510 560034881 /nfs/dbraw/zinc/03/48/81/560034881.db2.gz BNJNITLUDNRWFX-LEWJYISDSA-N 1 2 394.519 1.596 40 0 biogenic,in-vitro GDABLO COc1ccccc1CN1CC2(C1)C[N@@H+](Cc1cccnc1)C[C@@H]1C[C@@H](O)CN12 ZINC000514288510 560034882 /nfs/dbraw/zinc/03/48/82/560034882.db2.gz BNJNITLUDNRWFX-LEWJYISDSA-N 1 2 394.519 1.596 40 0 biogenic,in-vitro GDABLO CCCCS(=O)(=O)N1CCC2(CC1)C(=O)N(C)CC[N@H+]2Cc1ccccc1 ZINC000096230329 570221749 /nfs/dbraw/zinc/22/17/49/570221749.db2.gz DPZTUIQOGSKGCX-UHFFFAOYSA-N 1 2 393.553 1.925 40 0 GDABLO CCCCS(=O)(=O)N1CCC2(CC1)C(=O)N(C)CC[N@@H+]2Cc1ccccc1 ZINC000096230329 570221751 /nfs/dbraw/zinc/22/17/51/570221751.db2.gz DPZTUIQOGSKGCX-UHFFFAOYSA-N 1 2 393.553 1.925 40 0 GDABLO Cc1ccc(C)c(N(CC(=O)NCCCn2cc[nH+]c2)S(=O)(=O)N(C)C)c1 ZINC000020244957 570249833 /nfs/dbraw/zinc/24/98/33/570249833.db2.gz UKNPNVPVYBMNEQ-UHFFFAOYSA-N 1 2 393.513 1.319 40 0 GDABLO Cc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1C(=O)N1CCOCC1 ZINC000408618403 570365050 /nfs/dbraw/zinc/36/50/50/570365050.db2.gz GDGIPSDDDYAZOZ-UHFFFAOYSA-N 1 2 392.481 1.033 40 0 GDABLO CC1CCN(c2cc(Cl)nc(NC(=S)NCC[NH+]3CCOCC3)n2)CC1 ZINC000225905873 570632288 /nfs/dbraw/zinc/63/22/88/570632288.db2.gz LMWRFASXOFBVTK-UHFFFAOYSA-N 1 2 398.964 1.985 40 0 GDABLO Cc1cc(N2C[C@H](C)C[C@H](C)C2)nc(NC(=S)NCC[NH+]2CCOCC2)n1 ZINC000225905229 570632388 /nfs/dbraw/zinc/63/23/88/570632388.db2.gz YKFBTNYZYCFCQQ-GASCZTMLSA-N 1 2 392.573 1.886 40 0 GDABLO CC(=O)c1ccc(NC(=S)NCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000044241778 570632720 /nfs/dbraw/zinc/63/27/20/570632720.db2.gz FUFMFAHQZIBNAK-UHFFFAOYSA-N 1 2 384.509 1.788 40 0 GDABLO CNC(=O)[C@@H]1CN(C(=O)Cc2csc(C)n2)CC[N@@H+]1CCc1ccccc1 ZINC000257212632 570761672 /nfs/dbraw/zinc/76/16/72/570761672.db2.gz CEHCLEYWSPHLCM-SFHVURJKSA-N 1 2 386.521 1.496 40 0 GDABLO CNC(=O)[C@@H]1CN(C(=O)Cc2csc(C)n2)CC[N@H+]1CCc1ccccc1 ZINC000257212632 570761673 /nfs/dbraw/zinc/76/16/73/570761673.db2.gz CEHCLEYWSPHLCM-SFHVURJKSA-N 1 2 386.521 1.496 40 0 GDABLO COCc1nc2ccccc2n1CC(=O)N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257305034 570778599 /nfs/dbraw/zinc/77/85/99/570778599.db2.gz SOEGGZGEACRGFD-WRWLIDTKSA-N 1 2 383.452 1.650 40 0 GDABLO CC(=O)NCCCCCC(=O)N1CCC[C@]2(Cc3c([nH+]c(N)nc3N)O2)CC1 ZINC000257344298 570785027 /nfs/dbraw/zinc/78/50/27/570785027.db2.gz ZWNGYTWPYSBXPU-LJQANCHMSA-N 1 2 390.488 1.024 40 0 GDABLO CC(=O)NCCCCCC(=O)N1CCC[C@]2(Cc3c(nc(N)[nH+]c3N)O2)CC1 ZINC000257344298 570785028 /nfs/dbraw/zinc/78/50/28/570785028.db2.gz ZWNGYTWPYSBXPU-LJQANCHMSA-N 1 2 390.488 1.024 40 0 GDABLO CC[N@H+](Cc1ccc(/C=C/C(=O)[O-])cc1)C[C@@]1(C)Cc2c(nc(N)[nH+]c2N)O1 ZINC000257343768 570785034 /nfs/dbraw/zinc/78/50/34/570785034.db2.gz ZUIKCAQAKIRPBK-NDDJGDGRSA-N 1 2 383.452 1.955 40 0 GDABLO CC[N@@H+](Cc1ccc(/C=C/C(=O)[O-])cc1)C[C@@]1(C)Cc2c(nc(N)[nH+]c2N)O1 ZINC000257343768 570785037 /nfs/dbraw/zinc/78/50/37/570785037.db2.gz ZUIKCAQAKIRPBK-NDDJGDGRSA-N 1 2 383.452 1.955 40 0 GDABLO Cc1ccc(S(=O)(=O)N2Cc3c[nH+]cn3[C@H](C(=O)N3CCCO3)C2)cc1 ZINC000585096048 570922385 /nfs/dbraw/zinc/92/23/85/570922385.db2.gz OWOXWOKRIABJOX-INIZCTEOSA-N 1 2 376.438 1.101 40 0 GDABLO O=S(=O)(NCC[C@H]1Cn2nccc2C[N@H+](Cc2cccnc2)C1)C1CC1 ZINC000306128124 570938236 /nfs/dbraw/zinc/93/82/36/570938236.db2.gz GQQNMPQNWOCYIV-MRXNPFEDSA-N 1 2 375.498 1.382 40 0 GDABLO O=S(=O)(NCC[C@H]1Cn2nccc2C[N@@H+](Cc2cccnc2)C1)C1CC1 ZINC000306128124 570938242 /nfs/dbraw/zinc/93/82/42/570938242.db2.gz GQQNMPQNWOCYIV-MRXNPFEDSA-N 1 2 375.498 1.382 40 0 GDABLO C[NH+]1CCN(C(=O)CSc2n[nH]c(COc3ccc(Cl)cc3)n2)CC1 ZINC000408557779 530068218 /nfs/dbraw/zinc/06/82/18/530068218.db2.gz PYBLFWXTRWUPGC-UHFFFAOYSA-N 1 2 381.889 1.903 40 0 GDABLO S=C(NCC[NH+]1CCOCC1)Nc1nc(Cl)cc(N2CCCCC2)n1 ZINC000225905831 531031993 /nfs/dbraw/zinc/03/19/93/531031993.db2.gz DTBBKIBXLHXCGZ-UHFFFAOYSA-N 1 2 384.937 1.739 40 0 GDABLO C[C@@H]1C[C@@H]1C(=O)N1CC[C@]2(C1)COCc1cnc(NCc3c[nH+]cn3C)nc12 ZINC000306126047 222795379 /nfs/dbraw/zinc/79/53/79/222795379.db2.gz DKPQMJVGMZMXOF-PSGMQZRDSA-N 1 2 382.468 1.479 40 0 GDABLO COc1ccccc1C(=O)N[C@H]1C[C@@H](c2nc(-c3cnccn3)no2)[N@H+](C)C1 ZINC000012529698 291111052 /nfs/dbraw/zinc/11/10/52/291111052.db2.gz LQQGCHDCUODUQI-WFASDCNBSA-N 1 2 380.408 1.710 40 0 biogenic,in-vitro GDABLO COc1ccccc1C(=O)N[C@H]1C[C@@H](c2nc(-c3cnccn3)no2)[N@@H+](C)C1 ZINC000012529698 291111053 /nfs/dbraw/zinc/11/10/53/291111053.db2.gz LQQGCHDCUODUQI-WFASDCNBSA-N 1 2 380.408 1.710 40 0 biogenic,in-vitro GDABLO Cc1ccc(NC(=O)C[S@@](=O)CC(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000015935655 221353006 /nfs/dbraw/zinc/35/30/06/221353006.db2.gz GZPAJJPTNVMSLX-MHZLTWQESA-N 1 2 391.537 1.769 40 0 GDABLO O=C1CO[C@@]2(CN1c1ccc(F)c(F)c1)COCCN(c1cccc[nH+]1)C2 ZINC000096240148 136185518 /nfs/dbraw/zinc/18/55/18/136185518.db2.gz CXQMECAVMLSHHG-IBGZPJMESA-N 1 2 375.375 1.999 40 0 GDABLO CC(C)Nc1nc(N2CCOCC2)[nH+]c2c1CN(C(=O)c1cccn1C)CC2 ZINC000096254281 136185914 /nfs/dbraw/zinc/18/59/14/136185914.db2.gz FIPPCCCQWFDSRW-UHFFFAOYSA-N 1 2 384.484 1.671 40 0 GDABLO Cc1nc(CN2CCOC[C@@]3(C[N@H+](Cc4cnn(C)c4)CCO3)C2)cs1 ZINC000096049812 222374705 /nfs/dbraw/zinc/37/47/05/222374705.db2.gz BJNGUOZNFMFVMD-GOSISDBHSA-N 1 2 377.514 1.288 40 0 GDABLO Cc1nc(CN2CCOC[C@@]3(C[N@@H+](Cc4cnn(C)c4)CCO3)C2)cs1 ZINC000096049812 222374707 /nfs/dbraw/zinc/37/47/07/222374707.db2.gz BJNGUOZNFMFVMD-GOSISDBHSA-N 1 2 377.514 1.288 40 0 GDABLO COc1cccc([C@@H]2NC3=[NH+]CN(CCCO)CN3c3nc4ccccc4n32)c1 ZINC000019960434 570233895 /nfs/dbraw/zinc/23/38/95/570233895.db2.gz HKTPUSFGLHGERA-LJQANCHMSA-N 1 2 392.463 1.970 40 0 GDABLO COc1cccc(O[C@H]2CCN(C(=O)/C=C/C[NH+]3CCOCC3)CC[C@@H]2O)c1 ZINC000585290236 570258160 /nfs/dbraw/zinc/25/81/60/570258160.db2.gz ACQMMSAVZLMFCU-HELANRRESA-N 1 2 390.480 1.314 40 0 GDABLO CC[C@@H](C(=O)NCC[NH+]1CCOCC1)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220573561 570388924 /nfs/dbraw/zinc/38/89/24/570388924.db2.gz FLVJUNDLIHUNAI-SFHVURJKSA-N 1 2 397.541 1.296 40 0 GDABLO COc1cc(N2CCCCCC2)nc(NC(=S)NCC[NH+]2CCOCC2)n1 ZINC000225902961 570632184 /nfs/dbraw/zinc/63/21/84/570632184.db2.gz PCVYIRNDAUIGFM-UHFFFAOYSA-N 1 2 394.545 1.484 40 0 GDABLO Cc1ncsc1CN1CC2(C1)C[N@H+](CC1CC1)[C@H](C(=O)N1CCC1)CO2 ZINC000248065283 570720528 /nfs/dbraw/zinc/72/05/28/570720528.db2.gz WUSXGBFLKUHWEH-INIZCTEOSA-N 1 2 376.526 1.349 40 0 GDABLO Cc1ncsc1CN1CC2(C1)C[N@@H+](CC1CC1)[C@H](C(=O)N1CCC1)CO2 ZINC000248065283 570720529 /nfs/dbraw/zinc/72/05/29/570720529.db2.gz WUSXGBFLKUHWEH-INIZCTEOSA-N 1 2 376.526 1.349 40 0 GDABLO Cc1ncsc1C[NH+]1CC2(C1)OCC[C@@H]2CCNC(=O)c1nccn1C ZINC000248123797 570721001 /nfs/dbraw/zinc/72/10/01/570721001.db2.gz KYOKTEWRHMDHKA-AWEZNQCLSA-N 1 2 375.498 1.596 40 0 GDABLO Cc1ccc2[nH]c(COCC(=O)N[C@@H]3CCC[C@@H](n4cc[nH+]c4)[C@@H]3O)nc2c1 ZINC000257215462 570762137 /nfs/dbraw/zinc/76/21/37/570762137.db2.gz CQFNMKPRCXMGNK-WRWLIDTKSA-N 1 2 383.452 1.855 40 0 GDABLO Cc1ccc2nc(COCC(=O)N[C@@H]3CCC[C@@H](n4cc[nH+]c4)[C@@H]3O)[nH]c2c1 ZINC000257215462 570762140 /nfs/dbraw/zinc/76/21/40/570762140.db2.gz CQFNMKPRCXMGNK-WRWLIDTKSA-N 1 2 383.452 1.855 40 0 GDABLO Cc1ccc(C)c(N([C@@H](C)C(=O)NCCCn2cc[nH+]c2)S(C)(=O)=O)c1 ZINC000013677565 570772581 /nfs/dbraw/zinc/77/25/81/570772581.db2.gz ZAYMBMFAVBCNMG-INIZCTEOSA-N 1 2 378.498 1.861 40 0 GDABLO Cn1cc(C[N@@H+]2CCO[C@](COc3cccc(Cl)c3)(CC(N)=O)C2)cn1 ZINC000257276346 570774446 /nfs/dbraw/zinc/77/44/46/570774446.db2.gz NTHIXEYDHOPHOS-GOSISDBHSA-N 1 2 378.860 1.599 40 0 GDABLO Cn1cc(C[N@H+]2CCO[C@](COc3cccc(Cl)c3)(CC(N)=O)C2)cn1 ZINC000257276346 570774449 /nfs/dbraw/zinc/77/44/49/570774449.db2.gz NTHIXEYDHOPHOS-GOSISDBHSA-N 1 2 378.860 1.599 40 0 GDABLO O=C(c1cc2cc(Cl)ccc2[nH]1)N1CC[C@@H](O)[C@@H](O)[C@H]([NH+]2CCOCC2)C1 ZINC000257330123 570782327 /nfs/dbraw/zinc/78/23/27/570782327.db2.gz XMYLGOHAQOOFAS-KURKYZTESA-N 1 2 393.871 1.090 40 0 GDABLO Cc1nc(CN2C[C@@H]3C(N4CC[NH+](Cc5ccccn5)CC4)=NO[C@@H]3C2)cs1 ZINC000306135577 570942030 /nfs/dbraw/zinc/94/20/30/570942030.db2.gz OVBUVBAXFWXYCG-RBUKOAKNSA-N 1 2 398.536 1.808 40 0 GDABLO Cc1cc(F)ccc1S(=O)(=O)N1CCc2nnc([C@@H]3CCC[N@H+]3C)n2CC1 ZINC000019706513 571032416 /nfs/dbraw/zinc/03/24/16/571032416.db2.gz LWUBNBNQDFAECY-HNNXBMFYSA-N 1 2 393.488 1.739 40 0 GDABLO Cc1cc(F)ccc1S(=O)(=O)N1CCc2nnc([C@@H]3CCC[N@@H+]3C)n2CC1 ZINC000019706513 571032418 /nfs/dbraw/zinc/03/24/18/571032418.db2.gz LWUBNBNQDFAECY-HNNXBMFYSA-N 1 2 393.488 1.739 40 0 GDABLO OCCN1CC[NH+](C[C@@H](O)COc2c(F)cc(Br)cc2F)CC1 ZINC000022033086 530571725 /nfs/dbraw/zinc/57/17/25/530571725.db2.gz AICYGDFTAYTPAI-GFCCVEGCSA-N 1 2 395.244 1.077 40 0 GDABLO CCn1c2ccccc2nc1N1CCC(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000012116381 221151650 /nfs/dbraw/zinc/15/16/50/221151650.db2.gz PGTJDYARYIARET-UHFFFAOYSA-N 1 2 385.512 1.721 40 0 GDABLO COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)NCCCn1cc[nH+]c1 ZINC000408587673 533405914 /nfs/dbraw/zinc/40/59/14/533405914.db2.gz BVUCABRUKRBYRU-AWEZNQCLSA-N 1 2 380.470 1.073 40 0 GDABLO O=C(NCCO)c1cc([C@H]2C[N@H+](Cc3ccccn3)CCO2)nc2ccccc21 ZINC000072354991 222238400 /nfs/dbraw/zinc/23/84/00/222238400.db2.gz AOUGLVFBZRLISU-OAQYLSRUSA-N 1 2 392.459 1.925 40 0 GDABLO O=C(NCCO)c1cc([C@H]2C[N@@H+](Cc3ccccn3)CCO2)nc2ccccc21 ZINC000072354991 222238406 /nfs/dbraw/zinc/23/84/06/222238406.db2.gz AOUGLVFBZRLISU-OAQYLSRUSA-N 1 2 392.459 1.925 40 0 GDABLO COc1ccc(CN2CC3(C2)C[N@H+](Cc2cccnc2)C[C@@H]2C[C@@H](O)CN23)cc1 ZINC000514290394 560029334 /nfs/dbraw/zinc/02/93/34/560029334.db2.gz XWGOJJXSPNKFAJ-LEWJYISDSA-N 1 2 394.519 1.596 40 0 biogenic,in-vitro GDABLO COc1ccc(CN2CC3(C2)C[N@@H+](Cc2cccnc2)C[C@@H]2C[C@@H](O)CN23)cc1 ZINC000514290394 560029337 /nfs/dbraw/zinc/02/93/37/560029337.db2.gz XWGOJJXSPNKFAJ-LEWJYISDSA-N 1 2 394.519 1.596 40 0 biogenic,in-vitro GDABLO CS(=O)(=O)N1CCC[C@]2(C(=O)NCC3CC3)CN(c3cccc[nH+]3)C[C@@H]2C1 ZINC000096251441 570224487 /nfs/dbraw/zinc/22/44/87/570224487.db2.gz KQDOFEPPNSFDFC-APWZRJJASA-N 1 2 392.525 1.086 40 0 GDABLO CC(C)NC(=O)N1CC[C@H](c2nnc3ccc(C(=O)N4CC[NH+](C)CC4)cn32)C1 ZINC000096267588 570227479 /nfs/dbraw/zinc/22/74/79/570227479.db2.gz XSHLGKKBEVSCGL-HNNXBMFYSA-N 1 2 399.499 1.024 40 0 GDABLO Cc1cccc(NC(=O)[C@@H]2CC(=O)Nc3[nH+]c(N4CCOCC4)nc(N)c32)c1 ZINC000020674113 570274742 /nfs/dbraw/zinc/27/47/42/570274742.db2.gz CXXOZLVDHLOOTA-CYBMUJFWSA-N 1 2 382.424 1.268 40 0 GDABLO COc1ccc([C@@H](CNC(=S)N[C@@H]2CCS(=O)(=O)C2)[NH+]2CCCC2)cc1 ZINC000575425036 570310400 /nfs/dbraw/zinc/31/04/00/570310400.db2.gz XIFVEURXKZTIQD-NVXWUHKLSA-N 1 2 397.566 1.483 40 0 GDABLO O=C(Nc1nnc(S(=O)(=O)NCCCn2cc[nH+]c2)s1)c1ccccc1 ZINC000222547335 570414048 /nfs/dbraw/zinc/41/40/48/570414048.db2.gz AYTBJZVGFBRTHG-UHFFFAOYSA-N 1 2 392.466 1.356 40 0 GDABLO CCNC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c(C)s1 ZINC000035401844 570483579 /nfs/dbraw/zinc/48/35/79/570483579.db2.gz FAQRLTYJWYFGMT-UHFFFAOYSA-N 1 2 394.522 1.712 40 0 GDABLO CN(C)c1cc(N2CC3(C2)OCC[C@H]3CCOCC2CCOCC2)nc[nH+]1 ZINC000248143875 570721631 /nfs/dbraw/zinc/72/16/31/570721631.db2.gz UZXHTCGEXZXGHM-QGZVFWFLSA-N 1 2 376.501 1.971 40 0 GDABLO CN(C)c1cc(N2CC3(C2)OCC[C@H]3CCOCC2CCOCC2)[nH+]cn1 ZINC000248143875 570721637 /nfs/dbraw/zinc/72/16/37/570721637.db2.gz UZXHTCGEXZXGHM-QGZVFWFLSA-N 1 2 376.501 1.971 40 0 GDABLO CCc1ccccc1NC(=O)C[N@@H+]1CC[C@@]2(CCCN2S(C)(=O)=O)[C@@H](O)C1 ZINC000257220604 570762652 /nfs/dbraw/zinc/76/26/52/570762652.db2.gz DLKJAJSBWFNIBY-HKUYNNGSSA-N 1 2 395.525 1.048 40 0 GDABLO CCc1ccccc1NC(=O)C[N@H+]1CC[C@@]2(CCCN2S(C)(=O)=O)[C@@H](O)C1 ZINC000257220604 570762654 /nfs/dbraw/zinc/76/26/54/570762654.db2.gz DLKJAJSBWFNIBY-HKUYNNGSSA-N 1 2 395.525 1.048 40 0 GDABLO CNc1nc([C@H]2CCN(C(=O)CC3(O)CCCCC3)C2)nc2c1C[N@H+](C)CC2 ZINC000257272482 570773376 /nfs/dbraw/zinc/77/33/76/570773376.db2.gz NCOOINUXPWYGHM-HNNXBMFYSA-N 1 2 387.528 1.907 40 0 GDABLO CNc1nc([C@H]2CCN(C(=O)CC3(O)CCCCC3)C2)nc2c1C[N@@H+](C)CC2 ZINC000257272482 570773382 /nfs/dbraw/zinc/77/33/82/570773382.db2.gz NCOOINUXPWYGHM-HNNXBMFYSA-N 1 2 387.528 1.907 40 0 GDABLO Cc1[nH]c2ccc(Cl)cc2c1CC(=O)N1CC[N@H+](C)[C@H](C(=O)N(C)C)C1 ZINC000257287610 570776099 /nfs/dbraw/zinc/77/60/99/570776099.db2.gz PQSJGLFSNPTZNY-KRWDZBQOSA-N 1 2 376.888 1.903 40 0 GDABLO Cc1[nH]c2ccc(Cl)cc2c1CC(=O)N1CC[N@@H+](C)[C@H](C(=O)N(C)C)C1 ZINC000257287610 570776100 /nfs/dbraw/zinc/77/61/00/570776100.db2.gz PQSJGLFSNPTZNY-KRWDZBQOSA-N 1 2 376.888 1.903 40 0 GDABLO CC(=O)N1CCCN(C(=O)[C@@]2(C)CCCN(c3cc(N(C)C)[nH+]cn3)C2)CC1 ZINC000257310162 570779881 /nfs/dbraw/zinc/77/98/81/570779881.db2.gz UDXYYFIHMJIPHD-FQEVSTJZSA-N 1 2 388.516 1.230 40 0 GDABLO CC(=O)N1CCCN(C(=O)[C@@]2(C)CCCN(c3cc(N(C)C)nc[nH+]3)C2)CC1 ZINC000257310162 570779884 /nfs/dbraw/zinc/77/98/84/570779884.db2.gz UDXYYFIHMJIPHD-FQEVSTJZSA-N 1 2 388.516 1.230 40 0 GDABLO Cc1ccc2nc(C(=O)N3CCC[C@H](CC(=O)NCCn4cc[nH+]c4)C3)cn2c1 ZINC000257335105 570783486 /nfs/dbraw/zinc/78/34/86/570783486.db2.gz YIRITAJMODZTHX-QGZVFWFLSA-N 1 2 394.479 1.898 40 0 GDABLO COCC[N@@H+]1C[C@@H]2c3nc(N4CCC[C@@H](C)C4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC000096251999 570922555 /nfs/dbraw/zinc/92/25/55/570922555.db2.gz JBKKWLJTNCXEAB-VNQPRFMTSA-N 1 2 380.514 1.056 40 0 GDABLO COCC[N@H+]1C[C@@H]2c3nc(N4CCC[C@@H](C)C4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC000096251999 570922561 /nfs/dbraw/zinc/92/25/61/570922561.db2.gz JBKKWLJTNCXEAB-VNQPRFMTSA-N 1 2 380.514 1.056 40 0 GDABLO Cn1ccc(C(=O)N2CCC3(CC2)C[N@H+](C)Cc2nnc(-c4cccs4)n23)n1 ZINC000306139139 570943896 /nfs/dbraw/zinc/94/38/96/570943896.db2.gz SQHZSKAGYFNQAP-UHFFFAOYSA-N 1 2 397.508 1.817 40 0 GDABLO Cn1ccc(C(=O)N2CCC3(CC2)C[N@@H+](C)Cc2nnc(-c4cccs4)n23)n1 ZINC000306139139 570943899 /nfs/dbraw/zinc/94/38/99/570943899.db2.gz SQHZSKAGYFNQAP-UHFFFAOYSA-N 1 2 397.508 1.817 40 0 GDABLO c1cc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)nc(N2CCOCC2)n1 ZINC000019345793 570978198 /nfs/dbraw/zinc/97/81/98/570978198.db2.gz SMXZVRRJMRRHMK-UHFFFAOYSA-N 1 2 397.479 1.360 40 0 GDABLO c1cc(C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)nc(N2CCOCC2)n1 ZINC000019345793 570978204 /nfs/dbraw/zinc/97/82/04/570978204.db2.gz SMXZVRRJMRRHMK-UHFFFAOYSA-N 1 2 397.479 1.360 40 0 GDABLO CC1(C)C(=O)N[C@H]2CCCC[C@H]2N1C(=O)C[NH+]1CCN(c2nccs2)CC1 ZINC000019460318 570988477 /nfs/dbraw/zinc/98/84/77/570988477.db2.gz DGHGIZBGMOIECQ-LSDHHAIUSA-N 1 2 391.541 1.313 40 0 GDABLO CNc1nc([C@H]2CCC[N@@H+]2CC(=O)N2CCCC2)nc2c1CCN(C(C)=O)C2 ZINC000019708630 571033219 /nfs/dbraw/zinc/03/32/19/571033219.db2.gz QFNSDJFGRNNEKH-QGZVFWFLSA-N 1 2 386.500 1.182 40 0 GDABLO CNc1nc([C@H]2CCC[N@H+]2CC(=O)N2CCCC2)nc2c1CCN(C(C)=O)C2 ZINC000019708630 571033223 /nfs/dbraw/zinc/03/32/23/571033223.db2.gz QFNSDJFGRNNEKH-QGZVFWFLSA-N 1 2 386.500 1.182 40 0 GDABLO CS(=O)(=O)N(CC(=O)NCCCn1cc[nH+]c1)Cc1ccccc1Cl ZINC000222569523 531028620 /nfs/dbraw/zinc/02/86/20/531028620.db2.gz KBVPIMJOQBREED-UHFFFAOYSA-N 1 2 384.889 1.505 40 0 GDABLO C[NH+](C)CCNS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 ZINC000225400627 531030113 /nfs/dbraw/zinc/03/01/13/531030113.db2.gz NEPFQINVCQJQCL-UHFFFAOYSA-N 1 2 389.890 1.284 40 0 GDABLO C[N@@H+]1CC[C@@H](COc2ccccn2)CC12CN(S(=O)(=O)C(F)(F)F)C2 ZINC000306127942 532053197 /nfs/dbraw/zinc/05/31/97/532053197.db2.gz GLJFWVZPDBWVSY-GFCCVEGCSA-N 1 2 379.404 1.706 40 0 GDABLO C[N@H+]1CC[C@@H](COc2ccccn2)CC12CN(S(=O)(=O)C(F)(F)F)C2 ZINC000306127942 532053204 /nfs/dbraw/zinc/05/32/04/532053204.db2.gz GLJFWVZPDBWVSY-GFCCVEGCSA-N 1 2 379.404 1.706 40 0 GDABLO COc1cc2nc(NN)n(CCSCc3[nH]c[nH+]c3C)c(=O)c2cc1OC ZINC000408712699 533177796 /nfs/dbraw/zinc/17/77/96/533177796.db2.gz JLJZODRGGAPGHH-UHFFFAOYSA-N 1 2 390.469 1.664 40 0 GDABLO Cc1nnn(C23C[C@@H]4C[C@@H](CC(c5[nH]n6cnc7nncc-7c6[nH+]5)(C4)C2)C3)n1 ZINC000017076955 221375710 /nfs/dbraw/zinc/37/57/10/221375710.db2.gz SYUJMKHWXMFNSI-CCHVVGMOSA-N 1 2 376.428 1.543 40 0 GDABLO C[C@@H](C(=O)N1CCN([C@@H](c2nccn2C)c2ccccc2)CC1)[NH+]1CCOCC1 ZINC000019079076 221395455 /nfs/dbraw/zinc/39/54/55/221395455.db2.gz WHGWCCGGMBEOQR-AZUAARDMSA-N 1 2 397.523 1.374 40 0 GDABLO CN(C)C(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1CN(C(=O)c1cccnc1)CCC2 ZINC000096083046 222378306 /nfs/dbraw/zinc/37/83/06/222378306.db2.gz LORGUZOQTYNVNF-AVRDEDQJSA-N 1 2 393.491 1.924 40 0 GDABLO COc1ccc(N2C(=O)C[C@H]([NH+]3CCC4(CC3)OCCO4)C2=O)cc1OC ZINC000020634557 570273580 /nfs/dbraw/zinc/27/35/80/570273580.db2.gz HEHRQGRTRGPWQQ-AWEZNQCLSA-N 1 2 376.409 1.175 40 0 GDABLO Cc1nnc(C)n1N1C[NH+]=C2NC3(CCCC3)n3c4ccccc4nc3N2C1 ZINC000020676433 570275189 /nfs/dbraw/zinc/27/51/89/570275189.db2.gz CZRWKEZWLPHUIH-UHFFFAOYSA-N 1 2 377.456 1.804 40 0 GDABLO O=S1(=O)CC[C@@H]([N@H+](C[C@@H](O)CO)C(c2ccccc2)c2ccccc2)C1 ZINC000575422905 570309304 /nfs/dbraw/zinc/30/93/04/570309304.db2.gz XMZHZHXGZDNHJQ-RTBURBONSA-N 1 2 375.490 1.618 40 0 GDABLO O=S1(=O)CC[C@@H]([N@@H+](C[C@@H](O)CO)C(c2ccccc2)c2ccccc2)C1 ZINC000575422905 570309305 /nfs/dbraw/zinc/30/93/05/570309305.db2.gz XMZHZHXGZDNHJQ-RTBURBONSA-N 1 2 375.490 1.618 40 0 GDABLO Cc1cc(N2Cc3ccccc3C2)nc(NC(=S)NCC[NH+]2CCOCC2)n1 ZINC000225905327 570632116 /nfs/dbraw/zinc/63/21/16/570632116.db2.gz OQILJJUPYCDICK-UHFFFAOYSA-N 1 2 398.536 1.924 40 0 GDABLO COCCN1C(=O)C[C@@H](C(=O)NCCc2c[nH+]c[nH]2)[C@@H]1c1ccccc1Cl ZINC000257285678 570776079 /nfs/dbraw/zinc/77/60/79/570776079.db2.gz PIFVLTZNCDNOIR-QAPCUYQASA-N 1 2 390.871 1.958 40 0 GDABLO COCCN1C(=O)C[C@@H](C(=O)NCCc2c[nH]c[nH+]2)[C@@H]1c1ccccc1Cl ZINC000257285678 570776081 /nfs/dbraw/zinc/77/60/81/570776081.db2.gz PIFVLTZNCDNOIR-QAPCUYQASA-N 1 2 390.871 1.958 40 0 GDABLO Cc1c2ccc(C)cc2oc1C(=O)N1CC[C@@H](O)[C@@H](O)[C@H]([NH+]2CCOCC2)C1 ZINC000257285788 570776141 /nfs/dbraw/zinc/77/61/41/570776141.db2.gz PIXADQUVZUZHNZ-LMMKCTJWSA-N 1 2 388.464 1.318 40 0 GDABLO CC(C)c1ncc(C(=O)N2CCC[C@@H](CC(=O)NCCn3cc[nH+]c3)C2)cn1 ZINC000257334133 570783537 /nfs/dbraw/zinc/78/35/37/570783537.db2.gz YERMRJIBIVJQCP-INIZCTEOSA-N 1 2 384.484 1.855 40 0 GDABLO CN(C(=O)COCc1nc2ccccc2n1C)[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257343314 570784501 /nfs/dbraw/zinc/78/45/01/570784501.db2.gz ZSJGBBMSIKHDQY-DBXWQHBBSA-N 1 2 397.479 1.900 40 0 GDABLO c1nncn1N1C[NH+]=C2N[C@@H]([C@@H]3CC=CCC3)n3c4ccccc4nc3N2C1 ZINC000013634024 570862277 /nfs/dbraw/zinc/86/22/77/570862277.db2.gz QYZDQCYZJMMBEB-RHSMWYFYSA-N 1 2 375.440 1.815 40 0 GDABLO Cc1cncc(C[N@@H+]2CCC[C@]3(CC(C(=O)NC4CC(F)(F)C4)=NO3)C2)n1 ZINC000585101338 570926962 /nfs/dbraw/zinc/92/69/62/570926962.db2.gz ZDKYLRZJJNABSN-KRWDZBQOSA-N 1 2 379.411 1.810 40 0 GDABLO Cc1cncc(C[N@H+]2CCC[C@]3(CC(C(=O)NC4CC(F)(F)C4)=NO3)C2)n1 ZINC000585101338 570926965 /nfs/dbraw/zinc/92/69/65/570926965.db2.gz ZDKYLRZJJNABSN-KRWDZBQOSA-N 1 2 379.411 1.810 40 0 GDABLO Cc1cc(C)nc(N2CCC[C@@]3(CC(C(=O)NCCCn4cc[nH+]c4)=NO3)C2)n1 ZINC000585101075 570929083 /nfs/dbraw/zinc/92/90/83/570929083.db2.gz BGHGKCVHTWBGNZ-HXUWFJFHSA-N 1 2 397.483 1.612 40 0 GDABLO CNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000019824088 570930267 /nfs/dbraw/zinc/93/02/67/570930267.db2.gz FMJOFTPKEAJTEM-UHFFFAOYSA-N 1 2 388.537 1.783 40 0 GDABLO COC(=O)[C@]1(CCSC)[NH2+][C@H](c2ccc(C)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000020150456 570942585 /nfs/dbraw/zinc/94/25/85/570942585.db2.gz IUXZIYJEOUPSCW-NRTGNBEESA-N 1 2 376.478 1.535 40 0 GDABLO O=C1CCc2cc(S(=O)(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)ccc2N1 ZINC000019346281 570978243 /nfs/dbraw/zinc/97/82/43/570978243.db2.gz JSFLNBHVJRRYRD-OAHLLOKOSA-N 1 2 393.509 1.304 40 0 GDABLO CCn1cc(S(=O)(=O)N2C[C@H](C[NH+]3CCOCC3)c3ccccc32)c(C)n1 ZINC000019524621 570996451 /nfs/dbraw/zinc/99/64/51/570996451.db2.gz KPVRIOUBGIDOGX-INIZCTEOSA-N 1 2 390.509 1.836 40 0 GDABLO CCn1c2ccccc2nc1N1CCC[C@@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000019524410 570996481 /nfs/dbraw/zinc/99/64/81/570996481.db2.gz CIDIHYHCKXVPSL-QGZVFWFLSA-N 1 2 385.512 1.721 40 0 GDABLO CCN1C(=O)[C@H]2[C@H](c3ccccc3C)[NH2+][C@@](CCSC)(C(=O)OC)[C@@H]2C1=O ZINC000019526801 570997726 /nfs/dbraw/zinc/99/77/26/570997726.db2.gz SHMAQEIEMVMZJQ-NARAOEGZSA-N 1 2 390.505 1.925 40 0 GDABLO COc1ccc(-n2ncc(C(=O)[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)C3)c2N)cc1 ZINC000019558797 571004458 /nfs/dbraw/zinc/00/44/58/571004458.db2.gz KKSVZFJDZIBJCZ-CQSZACIVSA-N 1 2 394.435 1.391 40 0 GDABLO C[N@@H+]1CCCC[C@H]1c1nnc2n1CCN(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000019706139 571031880 /nfs/dbraw/zinc/03/18/80/571031880.db2.gz WMJCMHCIPSGILE-INIZCTEOSA-N 1 2 393.488 1.821 40 0 GDABLO C[N@H+]1CCCC[C@H]1c1nnc2n1CCN(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000019706139 571031882 /nfs/dbraw/zinc/03/18/82/571031882.db2.gz WMJCMHCIPSGILE-INIZCTEOSA-N 1 2 393.488 1.821 40 0 GDABLO C[N@@H+]1CCCC[C@H]1c1nnc2n1CCN(S(=O)(=O)c1ccccc1)CC2 ZINC000019706151 571031903 /nfs/dbraw/zinc/03/19/03/571031903.db2.gz HCWZNIKHVWZXIM-INIZCTEOSA-N 1 2 375.498 1.682 40 0 GDABLO C[N@H+]1CCCC[C@H]1c1nnc2n1CCN(S(=O)(=O)c1ccccc1)CC2 ZINC000019706151 571031906 /nfs/dbraw/zinc/03/19/06/571031906.db2.gz HCWZNIKHVWZXIM-INIZCTEOSA-N 1 2 375.498 1.682 40 0 GDABLO Cc1nc(N2CCCCC2)ncc1C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000019714795 571036510 /nfs/dbraw/zinc/03/65/10/571036510.db2.gz MQBFDSMBVHUWBS-SFHVURJKSA-N 1 2 375.517 1.862 40 0 GDABLO CNc1c(Br)cncc1S(=O)(=O)N1CC[NH+](C(C)C)CC1 ZINC000072210927 530805746 /nfs/dbraw/zinc/80/57/46/530805746.db2.gz GKSBHWKKBDFKSV-UHFFFAOYSA-N 1 2 377.308 1.601 40 0 GDABLO COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H]1c1nnc2n1CC[NH2+]C2 ZINC000019767402 221452514 /nfs/dbraw/zinc/45/25/14/221452514.db2.gz CRSIPYHHYUNAQB-CYBMUJFWSA-N 1 2 377.470 1.224 40 0 GDABLO C[C@@H](C(=O)NCCCn1cc[nH+]c1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000408615518 533258402 /nfs/dbraw/zinc/25/84/02/533258402.db2.gz BIHMTRMKYBHELZ-ZDUSSCGKSA-N 1 2 384.889 1.898 40 0 GDABLO Cc1nc(SCC(=O)Nc2ccccc2F)[nH]c(=O)c1C[NH+]1CCOCC1 ZINC000071195223 222178460 /nfs/dbraw/zinc/17/84/60/222178460.db2.gz LLDMNJVSDBNNOH-UHFFFAOYSA-N 1 2 392.456 1.780 40 0 GDABLO CC(C)NC(=O)N1CC[C@@H](c2nnc3ccc(C(=O)N4CC[NH+](C)CC4)cn32)C1 ZINC000096267589 222406356 /nfs/dbraw/zinc/40/63/56/222406356.db2.gz XSHLGKKBEVSCGL-OAHLLOKOSA-N 1 2 399.499 1.024 40 0 GDABLO CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000408620295 528222521 /nfs/dbraw/zinc/22/25/21/528222521.db2.gz JBDGHDONEYQXHK-UHFFFAOYSA-N 1 2 394.497 1.499 40 0 GDABLO CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000408600664 528583453 /nfs/dbraw/zinc/58/34/53/528583453.db2.gz BVADJVKTWZELPE-AWEZNQCLSA-N 1 2 380.470 1.155 40 0 GDABLO CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1 ZINC000408600395 529145563 /nfs/dbraw/zinc/14/55/63/529145563.db2.gz ANQKPZIDIMUMRI-OAHLLOKOSA-N 1 2 394.497 1.544 40 0 GDABLO O=S(=O)(c1ccccc1F)N1CCCn2nnc(C[NH+]3CCCCC3)c2C1 ZINC000096259599 570225458 /nfs/dbraw/zinc/22/54/58/570225458.db2.gz JASQFBPVOKMMJM-UHFFFAOYSA-N 1 2 393.488 1.998 40 0 GDABLO CN(C)C(=O)C[N@@H+]1CC[C@]2(C1)c1ccccc1S(=O)(=O)N2Cc1ccccc1 ZINC000096261919 570226302 /nfs/dbraw/zinc/22/63/02/570226302.db2.gz YFQZDNRUCYSWJA-NRFANRHFSA-N 1 2 399.516 1.880 40 0 GDABLO CN(C)C(=O)C[N@H+]1CC[C@]2(C1)c1ccccc1S(=O)(=O)N2Cc1ccccc1 ZINC000096261919 570226304 /nfs/dbraw/zinc/22/63/04/570226304.db2.gz YFQZDNRUCYSWJA-NRFANRHFSA-N 1 2 399.516 1.880 40 0 GDABLO CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3[nH+]c(N4CCCC4)nc(N)c32)cc1 ZINC000019974092 570234234 /nfs/dbraw/zinc/23/42/34/570234234.db2.gz KDXPTOQVEWBITA-AWEZNQCLSA-N 1 2 394.435 1.926 40 0 GDABLO CS(=O)(=O)N(CC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000020041079 570237047 /nfs/dbraw/zinc/23/70/47/570237047.db2.gz SGJDYSGQQFGPTR-UHFFFAOYSA-N 1 2 384.461 1.955 40 0 GDABLO COc1ccc([C@H](CN2C(=S)N[C@H]3CS(=O)(=O)C[C@@H]32)[NH+]2CCCC2)cc1 ZINC000575420174 570307658 /nfs/dbraw/zinc/30/76/58/570307658.db2.gz ABLBYIBMYQNWFH-ULQDDVLXSA-N 1 2 395.550 1.188 40 0 GDABLO Cc1cccc(N(CCCC(=O)NCC[NH+]2CCOCC2)S(C)(=O)=O)c1C ZINC000222634187 570417868 /nfs/dbraw/zinc/41/78/68/570417868.db2.gz NKEDSMKVQSCJTF-UHFFFAOYSA-N 1 2 397.541 1.298 40 0 GDABLO CCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000222978967 570434626 /nfs/dbraw/zinc/43/46/26/570434626.db2.gz MGWXOSIQWPRPQO-INIZCTEOSA-N 1 2 377.485 1.271 40 0 GDABLO Cc1cc(S(=O)(=O)NCCC[NH+]2CCOCC2)ccc1N1CCCC1=O ZINC000030863672 570499570 /nfs/dbraw/zinc/49/95/70/570499570.db2.gz BKDJUSBBPFUDLU-UHFFFAOYSA-N 1 2 381.498 1.122 40 0 GDABLO CN(CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)S(=O)(=O)c1ccccc1 ZINC000225404247 570570254 /nfs/dbraw/zinc/57/02/54/570570254.db2.gz DLFCRHDSYPWVCI-UHFFFAOYSA-N 1 2 384.461 1.809 40 0 GDABLO O=C(NC[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCOCC1)c1cccnc1 ZINC000257206342 570760749 /nfs/dbraw/zinc/76/07/49/570760749.db2.gz BCXQVKCFXPZEGP-NRDMVMEKSA-N 1 2 397.475 1.341 40 0 GDABLO Cc1[nH+]cc(-c2nccnc2C[C@H]2CCCN(S(=O)(=O)N(C)C)C2)n1C ZINC000257262985 570772048 /nfs/dbraw/zinc/77/20/48/570772048.db2.gz LNWJIJXUKFYCRG-CQSZACIVSA-N 1 2 378.502 1.246 40 0 GDABLO COc1ccc(C[N@@H+]2CCO[C@@H](c3ccc4c(=O)n(C)c(=O)n(C)c4n3)C2)cc1 ZINC000257275990 570774545 /nfs/dbraw/zinc/77/45/45/570774545.db2.gz NRWVOUNRWIAALG-GOSISDBHSA-N 1 2 396.447 1.214 40 0 GDABLO COc1ccc(C[N@H+]2CCO[C@@H](c3ccc4c(=O)n(C)c(=O)n(C)c4n3)C2)cc1 ZINC000257275990 570774547 /nfs/dbraw/zinc/77/45/47/570774547.db2.gz NRWVOUNRWIAALG-GOSISDBHSA-N 1 2 396.447 1.214 40 0 GDABLO Cc1ccc2[nH]c(C(=O)[O-])c(C[N@@H+]3CC[C@@]4(Cc5c(nc(N)[nH+]c5N)O4)C3)c2c1 ZINC000257300452 570777907 /nfs/dbraw/zinc/77/79/07/570777907.db2.gz RUHSPWDWNLWMPS-HXUWFJFHSA-N 1 2 394.435 1.709 40 0 GDABLO Cc1ccc2[nH]c(C(=O)[O-])c(C[N@H+]3CC[C@@]4(Cc5c(nc(N)[nH+]c5N)O4)C3)c2c1 ZINC000257300452 570777912 /nfs/dbraw/zinc/77/79/12/570777912.db2.gz RUHSPWDWNLWMPS-HXUWFJFHSA-N 1 2 394.435 1.709 40 0 GDABLO CC(C)n1cnc2cc(C(=O)N(C)[C@@H]3CC[C@@H]([N@@H+]4CCNC(=O)C4)[C@@H]3O)ccc21 ZINC000257326363 570781895 /nfs/dbraw/zinc/78/18/95/570781895.db2.gz WWYSCMDSUOTVRS-QWFCFKBJSA-N 1 2 399.495 1.013 40 0 GDABLO CC(C)n1cnc2cc(C(=O)N(C)[C@@H]3CC[C@@H]([N@H+]4CCNC(=O)C4)[C@@H]3O)ccc21 ZINC000257326363 570781898 /nfs/dbraw/zinc/78/18/98/570781898.db2.gz WWYSCMDSUOTVRS-QWFCFKBJSA-N 1 2 399.495 1.013 40 0 GDABLO CCOC(=O)[C@H]1CCC[N@H+](Cc2nc(N)nc(Nc3cccc(OC)c3)n2)C1 ZINC000017078858 570917652 /nfs/dbraw/zinc/91/76/52/570917652.db2.gz YPGYFPLWAKFHAT-ZDUSSCGKSA-N 1 2 386.456 1.981 40 0 GDABLO CCOC(=O)[C@H]1CCC[N@@H+](Cc2nc(N)nc(Nc3cccc(OC)c3)n2)C1 ZINC000017078858 570917655 /nfs/dbraw/zinc/91/76/55/570917655.db2.gz YPGYFPLWAKFHAT-ZDUSSCGKSA-N 1 2 386.456 1.981 40 0 GDABLO Cc1cc(N2CCOCC2)nc(SCC(=O)N2CC(=O)Nc3ccccc32)[nH+]1 ZINC000016283826 570920639 /nfs/dbraw/zinc/92/06/39/570920639.db2.gz SHRHOWGXPPCLJJ-UHFFFAOYSA-N 1 2 399.476 1.699 40 0 GDABLO Cc1nc(C[N@H+]2CC[C@@]3(C2)COCc2cnc(N4C[C@@H](C)O[C@@H](C)C4)nc23)c[nH]1 ZINC000306127618 570937534 /nfs/dbraw/zinc/93/75/34/570937534.db2.gz GDPBRUIKKWUZFO-LRAJWGHMSA-N 1 2 398.511 1.796 40 0 GDABLO Cc1nc(C[N@@H+]2CC[C@@]3(C2)COCc2cnc(N4C[C@@H](C)O[C@@H](C)C4)nc23)c[nH]1 ZINC000306127618 570937539 /nfs/dbraw/zinc/93/75/39/570937539.db2.gz GDPBRUIKKWUZFO-LRAJWGHMSA-N 1 2 398.511 1.796 40 0 GDABLO C[N@@H+]1CC[C@@H](COCc2ccccn2)CC12CN(S(=O)(=O)C(F)(F)F)C2 ZINC000306130098 570938753 /nfs/dbraw/zinc/93/87/53/570938753.db2.gz IWBLLXGHIMWOBY-CYBMUJFWSA-N 1 2 393.431 1.844 40 0 GDABLO C[N@H+]1CC[C@@H](COCc2ccccn2)CC12CN(S(=O)(=O)C(F)(F)F)C2 ZINC000306130098 570938758 /nfs/dbraw/zinc/93/87/58/570938758.db2.gz IWBLLXGHIMWOBY-CYBMUJFWSA-N 1 2 393.431 1.844 40 0 GDABLO COc1ncccc1C[N@@H+]1C[C@@H]2CN(Cc3csc(C)n3)S(=O)(=O)[C@H]2C1 ZINC000306138631 570943650 /nfs/dbraw/zinc/94/36/50/570943650.db2.gz SCOSNSAZFZPBOP-ZBFHGGJFSA-N 1 2 394.522 1.501 40 0 GDABLO COc1ncccc1C[N@H+]1C[C@@H]2CN(Cc3csc(C)n3)S(=O)(=O)[C@H]2C1 ZINC000306138631 570943654 /nfs/dbraw/zinc/94/36/54/570943654.db2.gz SCOSNSAZFZPBOP-ZBFHGGJFSA-N 1 2 394.522 1.501 40 0 GDABLO Cc1ccc(NC(=O)[C@@H](C)n2cc[nH+]c2)cc1S(=O)(=O)N1CCOCC1 ZINC000019214677 570961308 /nfs/dbraw/zinc/96/13/08/570961308.db2.gz UPITYIBIMCWJCZ-CQSZACIVSA-N 1 2 378.454 1.412 40 0 GDABLO Cc1ccc(NC(=O)CCCn2cc[nH+]c2)cc1S(=O)(=O)N1CCOCC1 ZINC000019214686 570961326 /nfs/dbraw/zinc/96/13/26/570961326.db2.gz ZMIDAQWRCMPOGC-UHFFFAOYSA-N 1 2 392.481 1.631 40 0 GDABLO O=c1[nH]c(N2CCOCC2)nc2c1CC[N@H+](Cc1ccc3ccccc3n1)C2 ZINC000019376334 570982486 /nfs/dbraw/zinc/98/24/86/570982486.db2.gz YVJALZGMMQEUKD-UHFFFAOYSA-N 1 2 377.448 1.713 40 0 GDABLO O=c1[nH]c(N2CCOCC2)nc2c1CC[N@@H+](Cc1ccc3ccccc3n1)C2 ZINC000019376334 570982490 /nfs/dbraw/zinc/98/24/90/570982490.db2.gz YVJALZGMMQEUKD-UHFFFAOYSA-N 1 2 377.448 1.713 40 0 GDABLO C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CC[NH+](Cc3ccccn3)CC1)C2=O ZINC000019496105 570989390 /nfs/dbraw/zinc/98/93/90/570989390.db2.gz GBMCSNFGXLJZMM-KKSFZXQISA-N 1 2 399.495 1.227 40 0 GDABLO CCNc1cc(-c2ccc(C(=O)N3CCOCC3)cc2)[nH+]c(N2CCOCC2)n1 ZINC000019529416 570998867 /nfs/dbraw/zinc/99/88/67/570998867.db2.gz OSABQQKWORNHQC-UHFFFAOYSA-N 1 2 397.479 1.884 40 0 GDABLO CCn1nccc1C(=O)N1CCC[C@@H]1c1ccc(C(=O)N2CC[NH+](C)CC2)cn1 ZINC000019708200 571033147 /nfs/dbraw/zinc/03/31/47/571033147.db2.gz GRROXFLGDAHDQK-GOSISDBHSA-N 1 2 396.495 1.663 40 0 GDABLO CN(C)c1ccc(C(=O)N[C@H]2C[C@@H](c3nc(-c4cnccn4)no3)[N@H+](C)C2)cc1 ZINC000012490015 291108045 /nfs/dbraw/zinc/10/80/45/291108045.db2.gz LHLJNWXIABKOBW-YOEHRIQHSA-N 1 2 393.451 1.768 40 0 biogenic,in-vitro GDABLO CN(C)c1ccc(C(=O)N[C@H]2C[C@@H](c3nc(-c4cnccn4)no3)[N@@H+](C)C2)cc1 ZINC000012490015 291108046 /nfs/dbraw/zinc/10/80/46/291108046.db2.gz LHLJNWXIABKOBW-YOEHRIQHSA-N 1 2 393.451 1.768 40 0 biogenic,in-vitro GDABLO COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H]1c1nnc2n1CC[NH2+]C2 ZINC000019767404 221452224 /nfs/dbraw/zinc/45/22/24/221452224.db2.gz CRSIPYHHYUNAQB-ZDUSSCGKSA-N 1 2 377.470 1.224 40 0 GDABLO CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000408608563 528056554 /nfs/dbraw/zinc/05/65/54/528056554.db2.gz RJLYADNXKINCRN-HNNXBMFYSA-N 1 2 383.514 1.162 40 0 GDABLO O=C(c1ccccc1)N1CC2(C1)CN(C(=O)c1ccccc1)C[C@@H]1C[C@@H](O)C[N@H+]12 ZINC000514289923 560031517 /nfs/dbraw/zinc/03/15/17/560031517.db2.gz PZPJRPJAVMBJSE-VQTJNVASSA-N 1 2 391.471 1.472 40 0 biogenic,in-vitro GDABLO O=C(c1ccccc1)N1CC2(C1)CN(C(=O)c1ccccc1)C[C@@H]1C[C@@H](O)C[N@@H+]12 ZINC000514289923 560031518 /nfs/dbraw/zinc/03/15/18/560031518.db2.gz PZPJRPJAVMBJSE-VQTJNVASSA-N 1 2 391.471 1.472 40 0 biogenic,in-vitro GDABLO CCn1cncc1C(=O)N1CCC[C@@H]1c1ccc(C(=O)N2CC[NH+](C)CC2)cn1 ZINC000019752818 570215918 /nfs/dbraw/zinc/21/59/18/570215918.db2.gz IFPNAWFAXRPZHR-GOSISDBHSA-N 1 2 396.495 1.663 40 0 GDABLO Cc1cnc(N2CCc3cc(C(=O)NCC4CC4)c(N(C)C)[nH+]c3CC2)nc1 ZINC000096260366 570225376 /nfs/dbraw/zinc/22/53/76/570225376.db2.gz ZATIAZFNGKTENR-UHFFFAOYSA-N 1 2 380.496 1.991 40 0 GDABLO COC(=O)[C@@]1(CCSC)[NH2+][C@H](c2ccc(C)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000020150455 570244518 /nfs/dbraw/zinc/24/45/18/570244518.db2.gz IUXZIYJEOUPSCW-GJRWTSMGSA-N 1 2 376.478 1.535 40 0 GDABLO COc1ccc([C@H](CN2C(=O)N[C@@H]3CS(=O)(=O)C[C@@H]32)[NH+]2CCCC2)cc1 ZINC000575423906 570309296 /nfs/dbraw/zinc/30/92/96/570309296.db2.gz SNZWJBHXEJGWCW-IKGGRYGDSA-N 1 2 379.482 1.023 40 0 GDABLO COc1ccc([C@H](CNC(=S)N[C@H]2CCS(=O)(=O)C2)[NH+]2CCCC2)cc1 ZINC000575425038 570310439 /nfs/dbraw/zinc/31/04/39/570310439.db2.gz XIFVEURXKZTIQD-RDJZCZTQSA-N 1 2 397.566 1.483 40 0 GDABLO COc1cc(C(=O)Nc2c[nH+]c(N(C)C)nc2N(C)C)cc(OC)c1OC ZINC000224348726 570449219 /nfs/dbraw/zinc/44/92/19/570449219.db2.gz UMXXIAPUCPZBIB-UHFFFAOYSA-N 1 2 375.429 1.887 40 0 GDABLO CNC(=O)[C@H]1COC2(CN(C(=O)c3cc4ccccc4[nH]3)C2)C[N@@H+]1CC1CC1 ZINC000575403558 570520229 /nfs/dbraw/zinc/52/02/29/570520229.db2.gz GVGDSGBVWFACDZ-GOSISDBHSA-N 1 2 382.464 1.219 40 0 GDABLO CNC(=O)[C@H]1COC2(CN(C(=O)c3cc4ccccc4[nH]3)C2)C[N@H+]1CC1CC1 ZINC000575403558 570520231 /nfs/dbraw/zinc/52/02/31/570520231.db2.gz GVGDSGBVWFACDZ-GOSISDBHSA-N 1 2 382.464 1.219 40 0 GDABLO Cc1nn(C)cc1S(=O)(=O)Nc1ccc(NC(=O)C[NH+]2CCCC2)c(C)c1 ZINC000057823172 570704266 /nfs/dbraw/zinc/70/42/66/570704266.db2.gz VXARJHTVMQQXGU-UHFFFAOYSA-N 1 2 391.497 1.872 40 0 GDABLO Cc1ncsc1C[NH+]1CC2(C1)OCC[C@H]2CCNC(=O)c1ccnn1C ZINC000248015128 570719800 /nfs/dbraw/zinc/71/98/00/570719800.db2.gz GADQXLPBOSOOET-CQSZACIVSA-N 1 2 375.498 1.596 40 0 GDABLO CNC(=O)[C@@H]1CN(C(=O)c2ccc(COC)cc2)CC[N@@H+]1CCc1ccccc1 ZINC000257313441 570779910 /nfs/dbraw/zinc/77/99/10/570779910.db2.gz USLDCXNYGKIORN-NRFANRHFSA-N 1 2 395.503 1.948 40 0 GDABLO CNC(=O)[C@@H]1CN(C(=O)c2ccc(COC)cc2)CC[N@H+]1CCc1ccccc1 ZINC000257313441 570779914 /nfs/dbraw/zinc/77/99/14/570779914.db2.gz USLDCXNYGKIORN-NRFANRHFSA-N 1 2 395.503 1.948 40 0 GDABLO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2=O)C1 ZINC000017079261 570918184 /nfs/dbraw/zinc/91/81/84/570918184.db2.gz IOXQJUBVCRNTNG-DZGCQCFKSA-N 1 2 388.420 1.365 40 0 GDABLO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2=O)C1 ZINC000017079261 570918189 /nfs/dbraw/zinc/91/81/89/570918189.db2.gz IOXQJUBVCRNTNG-DZGCQCFKSA-N 1 2 388.420 1.365 40 0 GDABLO CC(=O)N[C@H]1CCCC[C@@]12C[N@H+](Cc1cccc(NS(C)(=O)=O)c1)CCO2 ZINC000306130735 570939104 /nfs/dbraw/zinc/93/91/04/570939104.db2.gz JOEMNLVZBYONLL-RBUKOAKNSA-N 1 2 395.525 1.708 40 0 GDABLO CC(=O)N[C@H]1CCCC[C@@]12C[N@@H+](Cc1cccc(NS(C)(=O)=O)c1)CCO2 ZINC000306130735 570939105 /nfs/dbraw/zinc/93/91/05/570939105.db2.gz JOEMNLVZBYONLL-RBUKOAKNSA-N 1 2 395.525 1.708 40 0 GDABLO Cn1c2ccc(S(=O)(=O)NCc3ccccc3-n3cc[nH+]c3)cc2n(C)c1=O ZINC000019289821 570971492 /nfs/dbraw/zinc/97/14/92/570971492.db2.gz SYDHXQFNNLZECR-UHFFFAOYSA-N 1 2 397.460 1.541 40 0 GDABLO O=C(NCCc1cc(N2CCOCC2)nc(NC2CC2)[nH+]1)[C@@H]1CCCCO1 ZINC000019291962 570972228 /nfs/dbraw/zinc/97/22/28/570972228.db2.gz PVTQUVDTGANNOB-INIZCTEOSA-N 1 2 375.473 1.115 40 0 GDABLO CC1(C)C(=O)N[C@H]2CCCC[C@@H]2N1C(=O)C[NH+]1CCN(c2nccs2)CC1 ZINC000019460320 570988418 /nfs/dbraw/zinc/98/84/18/570988418.db2.gz DGHGIZBGMOIECQ-GJZGRUSLSA-N 1 2 391.541 1.313 40 0 GDABLO CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@](CCSC)(C(=O)OC)[NH2+][C@@H]2c1ccccc1C ZINC000019526800 570997782 /nfs/dbraw/zinc/99/77/82/570997782.db2.gz SHMAQEIEMVMZJQ-UIVXKWKOSA-N 1 2 390.505 1.925 40 0 GDABLO C=Cn1cc(C[N@H+]2CCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(C(C)=O)C3)c(C)n1 ZINC000019584217 571014575 /nfs/dbraw/zinc/01/45/75/571014575.db2.gz QWGPIZXTQIGTFD-SFHVURJKSA-N 1 2 382.468 1.617 40 0 GDABLO C=Cn1cc(C[N@@H+]2CCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(C(C)=O)C3)c(C)n1 ZINC000019584217 571014580 /nfs/dbraw/zinc/01/45/80/571014580.db2.gz QWGPIZXTQIGTFD-SFHVURJKSA-N 1 2 382.468 1.617 40 0 GDABLO Cc1cnn(CC(=O)N2CCC[C@H]2c2ccc(C(=O)N3CC[NH+](C)CC3)cn2)c1 ZINC000019708204 571033101 /nfs/dbraw/zinc/03/31/01/571033101.db2.gz KAHDDWFJTDEPMR-IBGZPJMESA-N 1 2 396.495 1.338 40 0 GDABLO Cc1nc(N2CCCCC2)ncc1C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000019714794 571036398 /nfs/dbraw/zinc/03/63/98/571036398.db2.gz MQBFDSMBVHUWBS-GOSISDBHSA-N 1 2 375.517 1.862 40 0 GDABLO