smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@H](C(=O)c4ccccc4)[C@@H]3C2=O)cc1 ZINC000005246577 204122522 /nfs/dbraw/zinc/12/25/22/204122522.db2.gz BRHTWTJGFOAPDG-MHTWAQMVSA-N 1 2 388.467 3.084 40 0 GGABLO CCc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@H](C(=O)c4ccccc4)[C@@H]3C2=O)cc1 ZINC000005246577 204122525 /nfs/dbraw/zinc/12/25/25/204122525.db2.gz BRHTWTJGFOAPDG-MHTWAQMVSA-N 1 2 388.467 3.084 40 0 GGABLO Cc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3[C@H]3CCC[N@@H+]32)cc1 ZINC000005322166 204126213 /nfs/dbraw/zinc/12/62/13/204126213.db2.gz TYIXOTSYIDPKQW-XRXFAXGQSA-N 1 2 388.467 3.139 40 0 GGABLO Cc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3[C@H]3CCC[N@H+]32)cc1 ZINC000005322166 204126217 /nfs/dbraw/zinc/12/62/17/204126217.db2.gz TYIXOTSYIDPKQW-XRXFAXGQSA-N 1 2 388.467 3.139 40 0 GGABLO CC[C@@H](c1nnnn1C(C)(C)CC)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000035290701 204152992 /nfs/dbraw/zinc/15/29/92/204152992.db2.gz NOAXXJUKRZZRRF-SFHVURJKSA-N 1 2 386.544 3.096 40 0 GGABLO COc1ccccc1C(=O)NC1CC[NH+](CC(=O)Nc2c(C)cccc2C)CC1 ZINC000035291841 204156010 /nfs/dbraw/zinc/15/60/10/204156010.db2.gz UJSVZAQMKYLEOG-UHFFFAOYSA-N 1 2 395.503 3.145 40 0 GGABLO Cc1ccc2cc([C@H](c3nnnn3C(C)(C)C)[NH+]3CCCC3)c(=O)[nH]c2c1C ZINC000008578931 204280400 /nfs/dbraw/zinc/28/04/00/204280400.db2.gz YSBXWTTZPLJLJH-GOSISDBHSA-N 1 2 380.496 3.072 40 0 GGABLO O=C(NC1CC[NH+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1)c1ccccc1 ZINC000036398713 204319765 /nfs/dbraw/zinc/31/97/65/204319765.db2.gz WMWDLFNIPVAWRN-UHFFFAOYSA-N 1 2 396.878 3.383 40 0 GGABLO C[C@H]1CCN(C(=O)C[NH+]2CCN(c3ccc(O)cc3)CC2)c2ccccc2S1 ZINC000036384986 204320606 /nfs/dbraw/zinc/32/06/06/204320606.db2.gz ZQOGTNLLKKHIQA-KRWDZBQOSA-N 1 2 397.544 3.432 40 0 GGABLO C[C@@H]1CC(=O)c2c(nc(N3CC[NH+](C)CC3)nc2Nc2ccc(Cl)cc2)C1 ZINC000009937660 204328048 /nfs/dbraw/zinc/32/80/48/204328048.db2.gz BGPHJYSUHVXHQH-ZDUSSCGKSA-N 1 2 385.899 3.390 40 0 GGABLO COc1ccc(S(=O)(=O)N2CCC(c3[nH+]c(C)n4ccsc34)CC2)cc1 ZINC000012087544 204370408 /nfs/dbraw/zinc/37/04/08/204370408.db2.gz UUIZQCSANVSYHZ-UHFFFAOYSA-N 1 2 391.518 3.281 40 0 GGABLO COc1ccc([C@@H](NC(=O)[C@H](C)c2ccccc2)c2[nH+]ccn2C)cc1OC ZINC000012114955 204371930 /nfs/dbraw/zinc/37/19/30/204371930.db2.gz YYCGOTISOSSGPV-FOIQADDNSA-N 1 2 379.460 3.447 40 0 GGABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCCc2ccc(O)cc2)CC1 ZINC000012116414 204372065 /nfs/dbraw/zinc/37/20/65/204372065.db2.gz PUUJWGLDKKIACF-UHFFFAOYSA-N 1 2 392.503 3.337 40 0 GGABLO COc1ccc([C@H](NC(=O)[C@H](C)c2ccccc2)c2[nH+]ccn2C)cc1OC ZINC000012114956 204372464 /nfs/dbraw/zinc/37/24/64/204372464.db2.gz YYCGOTISOSSGPV-QRWLVFNGSA-N 1 2 379.460 3.447 40 0 GGABLO COc1ccc([C@H](NC(=O)CCc2ccccc2)c2[nH+]ccn2C)cc1OC ZINC000012114940 204372724 /nfs/dbraw/zinc/37/27/24/204372724.db2.gz CDSNMWBFFYLSIM-NRFANRHFSA-N 1 2 379.460 3.276 40 0 GGABLO Cn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NCCc2ccccc2F)C1 ZINC000012116456 204372771 /nfs/dbraw/zinc/37/27/71/204372771.db2.gz AXDGXYRYIOMZFB-QGZVFWFLSA-N 1 2 380.467 3.288 40 0 GGABLO O=C(C[NH+]1CCC(O)(c2ccccn2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000012114382 204373058 /nfs/dbraw/zinc/37/30/58/204373058.db2.gz YAOWFLPEEHRMRF-UHFFFAOYSA-N 1 2 379.382 3.023 40 0 GGABLO COc1ccccc1CCC(=O)N1Cc2ccccc2OC[C@@H]1Cn1cc[nH+]c1 ZINC000012128225 204373999 /nfs/dbraw/zinc/37/39/99/204373999.db2.gz UAEUURHELWRMFN-FQEVSTJZSA-N 1 2 391.471 3.314 40 0 GGABLO CCc1nnc(NC(=O)[C@@H]2CCCN(c3[nH+]c4ccccc4n3CC)C2)s1 ZINC000012145819 204375658 /nfs/dbraw/zinc/37/56/58/204375658.db2.gz NKHVYJAWSUUWPZ-CYBMUJFWSA-N 1 2 384.509 3.325 40 0 GGABLO COc1cccc(CNC(=O)[C@@H]2CCCN(c3[nH+]c4ccccc4n3C)C2)c1 ZINC000012145805 204375703 /nfs/dbraw/zinc/37/57/03/204375703.db2.gz ONXAIYFNIGOPQR-QGZVFWFLSA-N 1 2 378.476 3.115 40 0 GGABLO c1ccc(C[N@@H+]2CCc3nc(N4CCCC4)nc(N4CCSCC4)c3C2)cc1 ZINC000012338331 204399501 /nfs/dbraw/zinc/39/95/01/204399501.db2.gz ZICDBPQJRIGVHM-UHFFFAOYSA-N 1 2 395.576 3.188 40 0 GGABLO c1ccc(C[N@H+]2CCc3nc(N4CCCC4)nc(N4CCSCC4)c3C2)cc1 ZINC000012338331 204399506 /nfs/dbraw/zinc/39/95/06/204399506.db2.gz ZICDBPQJRIGVHM-UHFFFAOYSA-N 1 2 395.576 3.188 40 0 GGABLO Cc1cc2[nH]c(CCC(=O)N3CCN(C4CCCCC4)C(=O)C3)[nH+]c2cc1C ZINC000012205950 204382521 /nfs/dbraw/zinc/38/25/21/204382521.db2.gz BPVKERQJMVVZBC-UHFFFAOYSA-N 1 2 382.508 3.116 40 0 GGABLO COc1ccc(-c2[nH+]c3n(c2NC(C)(C)C)CCN(C(=O)c2cc[nH]n2)C3)cc1 ZINC000012219871 204384421 /nfs/dbraw/zinc/38/44/21/204384421.db2.gz LKERFDZCZQJMRG-UHFFFAOYSA-N 1 2 394.479 3.148 40 0 GGABLO COc1ccc(-c2[nH+]c3n(c2NC(C)(C)C)CCN(C(=O)c2ccn[nH]2)C3)cc1 ZINC000012219871 204384424 /nfs/dbraw/zinc/38/44/24/204384424.db2.gz LKERFDZCZQJMRG-UHFFFAOYSA-N 1 2 394.479 3.148 40 0 GGABLO CCOc1cc(C[N@H+]2CCc3nc4c(C)csc4c(=O)n3CC2)ccc1OC ZINC000012275546 204387811 /nfs/dbraw/zinc/38/78/11/204387811.db2.gz RGZCYEHPYRHZKP-UHFFFAOYSA-N 1 2 399.516 3.232 40 0 GGABLO CCOc1cc(C[N@@H+]2CCc3nc4c(C)csc4c(=O)n3CC2)ccc1OC ZINC000012275546 204387814 /nfs/dbraw/zinc/38/78/14/204387814.db2.gz RGZCYEHPYRHZKP-UHFFFAOYSA-N 1 2 399.516 3.232 40 0 GGABLO COc1cccc(OC)c1C[N@@H+]1CC[C@@H](c2cc3nc(C)c(C)c(=O)n3[nH]2)C1 ZINC000012255227 204387925 /nfs/dbraw/zinc/38/79/25/204387925.db2.gz UMFZTCNJUFDUMF-OAHLLOKOSA-N 1 2 382.464 3.058 40 0 GGABLO COc1cccc(OC)c1C[N@H+]1CC[C@@H](c2cc3nc(C)c(C)c(=O)n3[nH]2)C1 ZINC000012255227 204387929 /nfs/dbraw/zinc/38/79/29/204387929.db2.gz UMFZTCNJUFDUMF-OAHLLOKOSA-N 1 2 382.464 3.058 40 0 GGABLO CCc1c(C)nc2cc([C@@H]3CC[N@H+](Cc4cc(OC)ccc4OC)C3)[nH]n2c1=O ZINC000012276368 204387968 /nfs/dbraw/zinc/38/79/68/204387968.db2.gz NCAUVDKRMIWZCQ-OAHLLOKOSA-N 1 2 396.491 3.312 40 0 GGABLO CCc1c(C)nc2cc([C@@H]3CC[N@@H+](Cc4cc(OC)ccc4OC)C3)[nH]n2c1=O ZINC000012276368 204387970 /nfs/dbraw/zinc/38/79/70/204387970.db2.gz NCAUVDKRMIWZCQ-OAHLLOKOSA-N 1 2 396.491 3.312 40 0 GGABLO CCc1c(C)nc2cc([C@H]3CC[N@H+](Cc4ccc(OC)c(OC)c4)C3)[nH]n2c1=O ZINC000012276375 204388163 /nfs/dbraw/zinc/38/81/63/204388163.db2.gz FMNWQYQMIPGRPD-INIZCTEOSA-N 1 2 396.491 3.312 40 0 GGABLO CCc1c(C)nc2cc([C@H]3CC[N@@H+](Cc4ccc(OC)c(OC)c4)C3)[nH]n2c1=O ZINC000012276375 204388166 /nfs/dbraw/zinc/38/81/66/204388166.db2.gz FMNWQYQMIPGRPD-INIZCTEOSA-N 1 2 396.491 3.312 40 0 GGABLO C[C@@H]1CC(=O)c2cnc(NC(=O)C[NH+]3CCC(Cc4ccccc4)CC3)nc2C1 ZINC000013636075 204499835 /nfs/dbraw/zinc/49/98/35/204499835.db2.gz FQDIMCYSUZQMDV-INIZCTEOSA-N 1 2 392.503 3.135 40 0 GGABLO CSc1nnc([C@H]2CCCN2C(=O)[C@H](C)n2c(C)[nH+]c3ccccc32)n1C ZINC000019286651 204634333 /nfs/dbraw/zinc/63/43/33/204634333.db2.gz MZRYRNJFSGJJQP-BLLLJJGKSA-N 1 2 384.509 3.120 40 0 GGABLO Brc1ccc(-c2nnc3sc(C[NH+]4CCOCC4)cn32)cc1 ZINC000020151792 204704474 /nfs/dbraw/zinc/70/44/74/204704474.db2.gz OSOZMTAUFSRBSU-UHFFFAOYSA-N 1 2 379.283 3.053 40 0 GGABLO O=C(c1cccc(N2CCCC2=O)c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000036140894 205007092 /nfs/dbraw/zinc/00/70/92/205007092.db2.gz QDOTXDJHRHSQKR-WEVVVXLNSA-N 1 2 389.499 3.285 40 0 GGABLO Cc1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)nc(N2CCCCCC2)n1 ZINC000072241470 205029928 /nfs/dbraw/zinc/02/99/28/205029928.db2.gz ALSXEQZOWKNNKY-UHFFFAOYSA-N 1 2 393.535 3.123 40 0 GGABLO O=C1N(c2ccccn2)C[C@H]2C[N@H+](Cc3cccc(OC(F)(F)F)c3)CCN12 ZINC000077266466 205035886 /nfs/dbraw/zinc/03/58/86/205035886.db2.gz BBGVKXDRKDWBEW-OAHLLOKOSA-N 1 2 392.381 3.107 40 0 biogenic,in-vitro GGABLO O=C1N(c2ccccn2)C[C@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3)CCN12 ZINC000077266466 205035888 /nfs/dbraw/zinc/03/58/88/205035888.db2.gz BBGVKXDRKDWBEW-OAHLLOKOSA-N 1 2 392.381 3.107 40 0 biogenic,in-vitro GGABLO CCc1nn2c(ncc(C(=O)N3CC[NH+](C)CC3)c2C)c1-c1cccc(Cl)c1 ZINC000038829807 205038235 /nfs/dbraw/zinc/03/82/35/205038235.db2.gz VQEGWLBGEFIPFK-UHFFFAOYSA-N 1 2 397.910 3.308 40 0 GGABLO COc1ccc(CCCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1OC ZINC000044851799 205087515 /nfs/dbraw/zinc/08/75/15/205087515.db2.gz UNVUFTJHLYDCQA-UHFFFAOYSA-N 1 2 379.460 3.311 40 0 GGABLO COc1cc(CNC(=O)c2ccc(C[NH+]3CCOCC3)cc2)ccc1OC(C)C ZINC000044905314 205089162 /nfs/dbraw/zinc/08/91/62/205089162.db2.gz DTZFYXKSSFZYOC-UHFFFAOYSA-N 1 2 398.503 3.245 40 0 GGABLO O=C(COc1ccc(Br)cc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000055695866 205150286 /nfs/dbraw/zinc/15/02/86/205150286.db2.gz AHWUBZOWDPZXJK-UHFFFAOYSA-N 1 2 386.249 3.330 40 0 GGABLO C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCc2sccc2C1 ZINC000057766454 205161445 /nfs/dbraw/zinc/16/14/45/205161445.db2.gz TYJCPMGIYKHJRY-JHMRYYBSSA-N 1 2 387.549 3.289 40 0 GGABLO C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCc2sccc2C1 ZINC000057766454 205161450 /nfs/dbraw/zinc/16/14/50/205161450.db2.gz TYJCPMGIYKHJRY-JHMRYYBSSA-N 1 2 387.549 3.289 40 0 GGABLO Nc1cc(-c2c[nH]nc2[C@H]2CCCN2C(=O)NCCc2ccccc2)cc[nH+]1 ZINC000072360793 205333935 /nfs/dbraw/zinc/33/39/35/205333935.db2.gz DZKAENVQFCOHTC-GOSISDBHSA-N 1 2 376.464 3.143 40 0 GGABLO CC(C)c1[nH+]ccn1-c1nccnc1[C@H]1CCCN(C(=O)Cc2ccncc2)C1 ZINC000072350641 205330676 /nfs/dbraw/zinc/33/06/76/205330676.db2.gz SLQFDHWTYKMVAZ-SFHVURJKSA-N 1 2 390.491 3.129 40 0 GGABLO COc1ccc(CCC(=O)N2CCC(c3cncc(-n4cc[nH+]c4)n3)CC2)cc1 ZINC000072355376 205331651 /nfs/dbraw/zinc/33/16/51/205331651.db2.gz JRKGBOJGTMXMKC-UHFFFAOYSA-N 1 2 391.475 3.010 40 0 GGABLO CCN(CC)S(=O)(=O)N1CCC[C@H]1c1ccc(Nc2cccc(C)[nH+]2)cn1 ZINC000072353051 205332023 /nfs/dbraw/zinc/33/20/23/205332023.db2.gz LQPVHWWDMJWULX-SFHVURJKSA-N 1 2 389.525 3.252 40 0 GGABLO Nc1cc(-c2c[nH]nc2[C@H]2CCCCN2C(=O)COCc2ccccc2)cc[nH+]1 ZINC000072357471 205332273 /nfs/dbraw/zinc/33/22/73/205332273.db2.gz UJJXQEZGGUKZOS-LJQANCHMSA-N 1 2 391.475 3.324 40 0 GGABLO CCc1[nH+]ccn1-c1cncc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1 ZINC000072355370 205333170 /nfs/dbraw/zinc/33/31/70/205333170.db2.gz YWFAGVBLEKLWCX-UHFFFAOYSA-N 1 2 393.466 3.313 40 0 GGABLO Nc1cc(-c2c[nH]nc2[C@@H]2CCCN2C(=O)NCCc2ccccc2)cc[nH+]1 ZINC000072360794 205333782 /nfs/dbraw/zinc/33/37/82/205333782.db2.gz DZKAENVQFCOHTC-SFHVURJKSA-N 1 2 376.464 3.143 40 0 GGABLO CCc1nnc(Nc2cc([C@H]3CCC[N@@H+]3Cc3cnn(C)c3)nc(C)n2)s1 ZINC000072360354 205334332 /nfs/dbraw/zinc/33/43/32/205334332.db2.gz GWPOSBZGDWNWAY-OAHLLOKOSA-N 1 2 384.513 3.013 40 0 GGABLO CCc1nnc(Nc2cc([C@H]3CCC[N@H+]3Cc3cnn(C)c3)nc(C)n2)s1 ZINC000072360354 205334336 /nfs/dbraw/zinc/33/43/36/205334336.db2.gz GWPOSBZGDWNWAY-OAHLLOKOSA-N 1 2 384.513 3.013 40 0 GGABLO Nc1cc(-c2c[nH]nc2[C@H]2CCCN(C(=O)NCCc3ccccc3)C2)cc[nH+]1 ZINC000072360789 205334525 /nfs/dbraw/zinc/33/45/25/205334525.db2.gz CJBQRHACDXKBDP-SFHVURJKSA-N 1 2 390.491 3.186 40 0 GGABLO CC(=O)Nc1ccc(Oc2nccnc2C2CC[NH+](Cc3ncc[nH]3)CC2)cc1 ZINC000072362993 205335338 /nfs/dbraw/zinc/33/53/38/205335338.db2.gz WEEACOGQKHWXCX-UHFFFAOYSA-N 1 2 392.463 3.330 40 0 GGABLO CC(=O)Nc1ccc(Oc2nccnc2C2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000072362993 205335343 /nfs/dbraw/zinc/33/53/43/205335343.db2.gz WEEACOGQKHWXCX-UHFFFAOYSA-N 1 2 392.463 3.330 40 0 GGABLO COc1ccccc1Oc1nccnc1[C@H]1CCC[N@H+](Cc2nccn2C)C1 ZINC000072362773 205336067 /nfs/dbraw/zinc/33/60/67/205336067.db2.gz QPGXTCCJYIAZMR-INIZCTEOSA-N 1 2 379.464 3.391 40 0 GGABLO COc1ccccc1Oc1nccnc1[C@H]1CCC[N@@H+](Cc2nccn2C)C1 ZINC000072362773 205336070 /nfs/dbraw/zinc/33/60/70/205336070.db2.gz QPGXTCCJYIAZMR-INIZCTEOSA-N 1 2 379.464 3.391 40 0 GGABLO COc1cccc(Oc2nccnc2[C@@H]2CCC[N@H+](Cc3nccn3C)C2)c1 ZINC000072362772 205336306 /nfs/dbraw/zinc/33/63/06/205336306.db2.gz MOFLGVRMDJPGIO-MRXNPFEDSA-N 1 2 379.464 3.391 40 0 GGABLO COc1cccc(Oc2nccnc2[C@@H]2CCC[N@@H+](Cc3nccn3C)C2)c1 ZINC000072362772 205336310 /nfs/dbraw/zinc/33/63/10/205336310.db2.gz MOFLGVRMDJPGIO-MRXNPFEDSA-N 1 2 379.464 3.391 40 0 GGABLO COc1cccc(CCNc2cc(COc3ccccn3)[nH+]c(N(C)C)n2)c1 ZINC000072373193 205338100 /nfs/dbraw/zinc/33/81/00/205338100.db2.gz MPDDLVOYONNWBA-UHFFFAOYSA-N 1 2 379.464 3.180 40 0 GGABLO COc1ccccc1CCNc1cc(COc2ccccn2)[nH+]c(N(C)C)n1 ZINC000072373194 205338211 /nfs/dbraw/zinc/33/82/11/205338211.db2.gz JTCAJXJXWVGWRE-UHFFFAOYSA-N 1 2 379.464 3.180 40 0 GGABLO COc1ccc(Oc2cc(C)nc([C@@H]3CC[N@H+](Cc4nccn4C)C3)n2)cc1 ZINC000072384188 205339285 /nfs/dbraw/zinc/33/92/85/205339285.db2.gz RXCWKHSGPQHMPO-MRXNPFEDSA-N 1 2 379.464 3.309 40 0 GGABLO COc1ccc(Oc2cc(C)nc([C@@H]3CC[N@@H+](Cc4nccn4C)C3)n2)cc1 ZINC000072384188 205339289 /nfs/dbraw/zinc/33/92/89/205339289.db2.gz RXCWKHSGPQHMPO-MRXNPFEDSA-N 1 2 379.464 3.309 40 0 GGABLO COc1ccc(C[N@@H+]2CCC[C@H](c3ccnc(Nc4ncccn4)n3)C2)cc1 ZINC000072377438 205339492 /nfs/dbraw/zinc/33/94/92/205339492.db2.gz ISMFODLWWRPBGW-KRWDZBQOSA-N 1 2 376.464 3.398 40 0 GGABLO COc1ccc(C[N@H+]2CCC[C@H](c3ccnc(Nc4ncccn4)n3)C2)cc1 ZINC000072377438 205339495 /nfs/dbraw/zinc/33/94/95/205339495.db2.gz ISMFODLWWRPBGW-KRWDZBQOSA-N 1 2 376.464 3.398 40 0 GGABLO CCc1[nH+]ccn1-c1cncc([C@H]2CCCN2C(=O)Cc2ccc(OC)cc2)n1 ZINC000072378378 205339923 /nfs/dbraw/zinc/33/99/23/205339923.db2.gz VANSCLWMKIPJDA-LJQANCHMSA-N 1 2 391.475 3.140 40 0 GGABLO COc1ccc(Oc2cc(C)nc([C@H]3CC[N@H+](Cc4nccn4C)C3)n2)cc1 ZINC000072384189 205340208 /nfs/dbraw/zinc/34/02/08/205340208.db2.gz RXCWKHSGPQHMPO-INIZCTEOSA-N 1 2 379.464 3.309 40 0 GGABLO COc1ccc(Oc2cc(C)nc([C@H]3CC[N@@H+](Cc4nccn4C)C3)n2)cc1 ZINC000072384189 205340211 /nfs/dbraw/zinc/34/02/11/205340211.db2.gz RXCWKHSGPQHMPO-INIZCTEOSA-N 1 2 379.464 3.309 40 0 GGABLO O=C(COc1ccc(F)cc1)N1CCC[C@@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000072378600 205340246 /nfs/dbraw/zinc/34/02/46/205340246.db2.gz XFQMOGGANDVKNG-MRXNPFEDSA-N 1 2 380.423 3.191 40 0 GGABLO CCn1c2ccccc2[nH+]c1N1CCN(CC(=O)c2ccc(OC)cc2)CC1 ZINC000004618631 205749319 /nfs/dbraw/zinc/74/93/19/205749319.db2.gz CTRMEAGXTMDFLF-UHFFFAOYSA-N 1 2 378.476 3.070 40 0 GGABLO CC(C)c1ccccc1OC[C@H](O)C[NH+]1CCN(c2ccc(C=O)s2)CC1 ZINC000025665411 205989130 /nfs/dbraw/zinc/98/91/30/205989130.db2.gz GBCNOSDVAZAAJD-QGZVFWFLSA-N 1 2 388.533 3.246 40 0 GGABLO CC(C)c1ccccc1OCCNC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000223747078 206006281 /nfs/dbraw/zinc/00/62/81/206006281.db2.gz MBVIEIZRFAGHAL-UHFFFAOYSA-N 1 2 382.504 3.451 40 0 GGABLO COc1ccc(CCC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1C ZINC000224092988 206013307 /nfs/dbraw/zinc/01/33/07/206013307.db2.gz KYCHMGHTVADKGL-UHFFFAOYSA-N 1 2 396.487 3.009 40 0 GGABLO O=C(C[N@H+]1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCCCC1 ZINC000026462029 206001909 /nfs/dbraw/zinc/00/19/09/206001909.db2.gz XLMIUUUAOAYGPE-MRXNPFEDSA-N 1 2 384.307 3.409 40 0 GGABLO O=C(C[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCCCC1 ZINC000026462029 206001915 /nfs/dbraw/zinc/00/19/15/206001915.db2.gz XLMIUUUAOAYGPE-MRXNPFEDSA-N 1 2 384.307 3.409 40 0 GGABLO COCc1cc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)ccc1OC ZINC000224403606 206020434 /nfs/dbraw/zinc/02/04/34/206020434.db2.gz JRKXZBSNCDBNHO-RMKNXTFCSA-N 1 2 380.488 3.313 40 0 GGABLO O=C(NCC1(c2ccccc2)CCOCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000224496588 206022548 /nfs/dbraw/zinc/02/25/48/206022548.db2.gz GCPMZLPNVHNHNW-UHFFFAOYSA-N 1 2 375.472 3.410 40 0 GGABLO Cc1cc(C)n(Cc2ccc(C(=O)N3CC[NH+](Cc4ccc(F)cc4)CC3)o2)n1 ZINC000028236437 206038959 /nfs/dbraw/zinc/03/89/59/206038959.db2.gz HXGJKRVNPVRHPZ-UHFFFAOYSA-N 1 2 396.466 3.238 40 0 GGABLO FC(F)(F)Oc1cccc(NC(=S)N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000225226182 206041729 /nfs/dbraw/zinc/04/17/29/206041729.db2.gz RRESFFIXOLAFSD-UHFFFAOYSA-N 1 2 396.438 3.495 40 0 GGABLO COc1ccc(C)cc1C[NH+]1CCN(CCC(=O)Nc2ccccc2F)CC1 ZINC000028889202 206048478 /nfs/dbraw/zinc/04/84/78/206048478.db2.gz WDHYHGODORWEQG-UHFFFAOYSA-N 1 2 385.483 3.289 40 0 GGABLO O=C1CCCN1c1ccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000225454609 206049052 /nfs/dbraw/zinc/04/90/52/206049052.db2.gz QZGSDVIJXCUQQV-UHFFFAOYSA-N 1 2 391.500 3.486 40 0 GGABLO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000225510790 206053075 /nfs/dbraw/zinc/05/30/75/206053075.db2.gz MUTQKFMRJDACSA-GFCCVEGCSA-N 1 2 379.291 3.170 40 0 GGABLO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000225510790 206053080 /nfs/dbraw/zinc/05/30/80/206053080.db2.gz MUTQKFMRJDACSA-GFCCVEGCSA-N 1 2 379.291 3.170 40 0 GGABLO CCO[C@]1(C(=O)Nc2ccc(OCC[NH+]3CCOCC3)cc2)CCC[C@@H](C)C1 ZINC000225714971 206068752 /nfs/dbraw/zinc/06/87/52/206068752.db2.gz UZPJSEZDMXAUPL-XMSQKQJNSA-N 1 2 390.524 3.322 40 0 GGABLO CCCOC1(C(=O)Nc2ccc(OCC[NH+]3CCOCC3)cc2)CCCC1 ZINC000225654719 206063483 /nfs/dbraw/zinc/06/34/83/206063483.db2.gz PLCPRXNIMPGGAR-UHFFFAOYSA-N 1 2 376.497 3.076 40 0 GGABLO Cc1nc(N2CCC(NC(=O)NCc3ccc(F)cc3)CC2)c2c([nH+]1)CCCC2 ZINC000225739324 206072580 /nfs/dbraw/zinc/07/25/80/206072580.db2.gz DTEJQFVYFIMGMQ-UHFFFAOYSA-N 1 2 397.498 3.271 40 0 GGABLO S=C(NCc1nc(-c2cccc(Br)c2)no1)Nc1cc[nH+]cc1 ZINC000225826529 206079725 /nfs/dbraw/zinc/07/97/25/206079725.db2.gz QOTUVRYDINHFRN-UHFFFAOYSA-N 1 2 390.266 3.381 40 0 GGABLO CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)nn2)cc1Cl ZINC000060341583 206101615 /nfs/dbraw/zinc/10/16/15/206101615.db2.gz JWDVFQHMZAHSDK-UHFFFAOYSA-N 1 2 398.854 3.050 40 0 GGABLO Cc1ccccc1C(=O)N[C@@H](C(=O)N1CC[NH+](Cc2cccs2)CC1)C(C)C ZINC000032722539 206091624 /nfs/dbraw/zinc/09/16/24/206091624.db2.gz GQQYNMHINJOKSW-HXUWFJFHSA-N 1 2 399.560 3.155 40 0 GGABLO c1ccc(-n2nnnc2C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)cc1 ZINC000032836196 206092588 /nfs/dbraw/zinc/09/25/88/206092588.db2.gz VVFZRRJSFRWZTO-UHFFFAOYSA-N 1 2 377.448 3.336 40 0 GGABLO c1ccc(-n2nnnc2C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)cc1 ZINC000032836196 206092593 /nfs/dbraw/zinc/09/25/93/206092593.db2.gz VVFZRRJSFRWZTO-UHFFFAOYSA-N 1 2 377.448 3.336 40 0 GGABLO COc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000032806186 206093437 /nfs/dbraw/zinc/09/34/37/206093437.db2.gz OEIKEWMKJKBINU-OAHLLOKOSA-N 1 2 394.475 3.002 40 0 GGABLO Cn1cc(C[N@@H+]2C[C@@H](F)[C@@H](OCc3nc4cc(C(F)(F)F)ccc4[nH]3)C2)cn1 ZINC000096112258 206115397 /nfs/dbraw/zinc/11/53/97/206115397.db2.gz IDAFEOXLJPBULO-CJNGLKHVSA-N 1 2 397.376 3.054 40 0 biogenic,in-vitro GGABLO Cn1cc(C[N@H+]2C[C@@H](F)[C@@H](OCc3nc4cc(C(F)(F)F)ccc4[nH]3)C2)cn1 ZINC000096112258 206115403 /nfs/dbraw/zinc/11/54/03/206115403.db2.gz IDAFEOXLJPBULO-CJNGLKHVSA-N 1 2 397.376 3.054 40 0 biogenic,in-vitro GGABLO Cn1cc[nH+]c1CN1C[C@@H](F)[C@@H](OCc2nc3cc(C(F)(F)F)ccc3[nH]2)C1 ZINC000096112252 206115667 /nfs/dbraw/zinc/11/56/67/206115667.db2.gz YYOUCYJMORMNIC-DOMZBBRYSA-N 1 2 397.376 3.054 40 0 biogenic,in-vitro GGABLO Cn1c(CO[C@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)C[C@H]2F)nc2ccccc21 ZINC000096112212 206116846 /nfs/dbraw/zinc/11/68/46/206116846.db2.gz GPGGCUBFGFNWGY-IERDGZPVSA-N 1 2 397.450 3.084 40 0 biogenic,in-vitro GGABLO Cn1c(CO[C@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)C[C@H]2F)nc2ccccc21 ZINC000096112212 206116851 /nfs/dbraw/zinc/11/68/51/206116851.db2.gz GPGGCUBFGFNWGY-IERDGZPVSA-N 1 2 397.450 3.084 40 0 biogenic,in-vitro GGABLO CO[C@@H]1C[N@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)C[C@]12CCCO2 ZINC000257208971 206158952 /nfs/dbraw/zinc/15/89/52/206158952.db2.gz BOIVJTFVRXZZGT-FYYLOGMGSA-N 1 2 396.487 3.084 40 0 GGABLO CO[C@@H]1C[N@@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)C[C@]12CCCO2 ZINC000257208971 206158956 /nfs/dbraw/zinc/15/89/56/206158956.db2.gz BOIVJTFVRXZZGT-FYYLOGMGSA-N 1 2 396.487 3.084 40 0 GGABLO COc1ccc(-c2cccc([C@@H]3C[N@H+](Cc4cn(C)nc4C)CCO3)n2)cc1 ZINC000257210638 206159237 /nfs/dbraw/zinc/15/92/37/206159237.db2.gz BVNVJQXMRYEPDZ-QFIPXVFZSA-N 1 2 378.476 3.373 40 0 GGABLO COc1ccc(-c2cccc([C@@H]3C[N@@H+](Cc4cn(C)nc4C)CCO3)n2)cc1 ZINC000257210638 206159242 /nfs/dbraw/zinc/15/92/42/206159242.db2.gz BVNVJQXMRYEPDZ-QFIPXVFZSA-N 1 2 378.476 3.373 40 0 GGABLO Cc1cc(Cc2ccc(F)cc2)cc([C@H]2C[N@H+](Cc3cnn(C)c3)CCO2)n1 ZINC000257218614 206161729 /nfs/dbraw/zinc/16/17/29/206161729.db2.gz DDUOOIQJPBOPPK-JOCHJYFZSA-N 1 2 380.467 3.427 40 0 GGABLO Cc1cc(Cc2ccc(F)cc2)cc([C@H]2C[N@@H+](Cc3cnn(C)c3)CCO2)n1 ZINC000257218614 206161733 /nfs/dbraw/zinc/16/17/33/206161733.db2.gz DDUOOIQJPBOPPK-JOCHJYFZSA-N 1 2 380.467 3.427 40 0 GGABLO CO[C@@H]1C[N@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C[C@]12CCCO2 ZINC000257217088 206161803 /nfs/dbraw/zinc/16/18/03/206161803.db2.gz CXKFUSVHCOIAQN-IFMALSPDSA-N 1 2 382.460 3.297 40 0 GGABLO CO[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C[C@]12CCCO2 ZINC000257217088 206161807 /nfs/dbraw/zinc/16/18/07/206161807.db2.gz CXKFUSVHCOIAQN-IFMALSPDSA-N 1 2 382.460 3.297 40 0 GGABLO Cc1onc(C(C)C)c1C(=O)N1CC[C@H](c2ncncc2-c2cc[nH+]c(N)c2)C1 ZINC000257280699 206171670 /nfs/dbraw/zinc/17/16/70/206171670.db2.gz OLZGRQBZYCYRJP-HNNXBMFYSA-N 1 2 392.463 3.170 40 0 GGABLO CNc1ncccc1C[N@@H+]1CCO[C@@H](c2cccc(-c3c(C)noc3C)n2)C1 ZINC000257289646 206172873 /nfs/dbraw/zinc/17/28/73/206172873.db2.gz PZOSKXYKHIRFIU-LJQANCHMSA-N 1 2 379.464 3.364 40 0 GGABLO CNc1ncccc1C[N@H+]1CCO[C@@H](c2cccc(-c3c(C)noc3C)n2)C1 ZINC000257289646 206172878 /nfs/dbraw/zinc/17/28/78/206172878.db2.gz PZOSKXYKHIRFIU-LJQANCHMSA-N 1 2 379.464 3.364 40 0 GGABLO Cc1ccc(F)c(NC(=O)C[N@@H+]2CC[C@](C)(O)[C@@H](Oc3cccc(F)c3)C2)c1 ZINC000257293758 206174409 /nfs/dbraw/zinc/17/44/09/206174409.db2.gz QRBQWDBMTUWMBV-FPOVZHCZSA-N 1 2 390.430 3.116 40 0 GGABLO Cc1ccc(F)c(NC(=O)C[N@H+]2CC[C@](C)(O)[C@@H](Oc3cccc(F)c3)C2)c1 ZINC000257293758 206174412 /nfs/dbraw/zinc/17/44/12/206174412.db2.gz QRBQWDBMTUWMBV-FPOVZHCZSA-N 1 2 390.430 3.116 40 0 GGABLO CCc1ccccc1NC(=O)C[N@@H+]1CC[C@](C)(O)[C@@H](Oc2cccc(F)c2)C1 ZINC000257292783 206174461 /nfs/dbraw/zinc/17/44/61/206174461.db2.gz QMYHLNOURDFGOL-UNMCSNQZSA-N 1 2 386.467 3.231 40 0 GGABLO CCc1ccccc1NC(=O)C[N@H+]1CC[C@](C)(O)[C@@H](Oc2cccc(F)c2)C1 ZINC000257292783 206174468 /nfs/dbraw/zinc/17/44/68/206174468.db2.gz QMYHLNOURDFGOL-UNMCSNQZSA-N 1 2 386.467 3.231 40 0 GGABLO NC(=O)[C@@]1(c2ccccn2)CCC[N@@H+]1Cc1ccccc1OCc1ccccn1 ZINC000257293700 206175613 /nfs/dbraw/zinc/17/56/13/206175613.db2.gz QQTMXPKRZPZWSJ-QHCPKHFHSA-N 1 2 388.471 3.032 40 0 GGABLO NC(=O)[C@@]1(c2ccccn2)CCC[N@H+]1Cc1ccccc1OCc1ccccn1 ZINC000257293700 206175615 /nfs/dbraw/zinc/17/56/15/206175615.db2.gz QQTMXPKRZPZWSJ-QHCPKHFHSA-N 1 2 388.471 3.032 40 0 GGABLO COc1ccccc1CNc1cc(-c2c[nH]nc2[C@H]2CCN(C(C)=O)C2)cc[nH+]1 ZINC000257309747 206176137 /nfs/dbraw/zinc/17/61/37/206176137.db2.gz UCFVGBHZNGTDHZ-SFHVURJKSA-N 1 2 391.475 3.428 40 0 GGABLO Cc1[nH+]cc(-c2cncc(C[C@@H]3CCCN(C(=O)c4cccc(F)c4)C3)n2)n1C ZINC000257310718 206176320 /nfs/dbraw/zinc/17/63/20/206176320.db2.gz UGFWBAHGZOVSRI-INIZCTEOSA-N 1 2 393.466 3.420 40 0 GGABLO Nc1cc(-c2c[nH]nc2[C@@H]2CCN(C(=O)c3cccc4cccnc43)C2)cc[nH+]1 ZINC000257303157 206176922 /nfs/dbraw/zinc/17/69/22/206176922.db2.gz SFZWPBBICZLRMP-MRXNPFEDSA-N 1 2 384.443 3.232 40 0 GGABLO Cn1nc(C(C)(C)C)cc1-c1cc(NC[C@H]2Cc3ccccc3O2)nc(N)[nH+]1 ZINC000257318838 206177840 /nfs/dbraw/zinc/17/78/40/206177840.db2.gz VPOYQDKIMXSZPE-CQSZACIVSA-N 1 2 378.480 3.172 40 0 GGABLO Cc1[nH+]cc(-c2cncc(C[C@@H]3CCCN(C(=O)Cc4cccs4)C3)n2)n1C ZINC000257226082 206162331 /nfs/dbraw/zinc/16/23/31/206162331.db2.gz FJBZYFDCELKFIM-INIZCTEOSA-N 1 2 395.532 3.271 40 0 GGABLO Cc1ccc(F)cc1NC(=O)C[N@@H+]1CC[C@](C)(O)[C@@H](Oc2cccc(F)c2)C1 ZINC000257249720 206165658 /nfs/dbraw/zinc/16/56/58/206165658.db2.gz JJMWGMJNGWHIGX-FPOVZHCZSA-N 1 2 390.430 3.116 40 0 GGABLO Cc1ccc(F)cc1NC(=O)C[N@H+]1CC[C@](C)(O)[C@@H](Oc2cccc(F)c2)C1 ZINC000257249720 206165662 /nfs/dbraw/zinc/16/56/62/206165662.db2.gz JJMWGMJNGWHIGX-FPOVZHCZSA-N 1 2 390.430 3.116 40 0 GGABLO CC(C)c1ccc(OCCc2cc([C@@H]3CN(Cc4[nH]cc[nH+]4)CCO3)[nH]n2)cc1 ZINC000257267294 206169094 /nfs/dbraw/zinc/16/90/94/206169094.db2.gz MGQYGIAANMVHPC-NRFANRHFSA-N 1 2 395.507 3.451 40 0 GGABLO O=C(C[NH+]1CCC(c2cccc(Nc3ccccn3)n2)CC1)Nc1nccs1 ZINC000257276827 206171028 /nfs/dbraw/zinc/17/10/28/206171028.db2.gz NVHVPMGNNNDBOX-UHFFFAOYSA-N 1 2 394.504 3.495 40 0 GGABLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@](C)(O)[C@@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000257315581 206178811 /nfs/dbraw/zinc/17/88/11/206178811.db2.gz VCAUMDCIZTVVHT-FPOVZHCZSA-N 1 2 388.895 3.491 40 0 GGABLO Cc1ccc(NC(=O)C[N@H+]2CC[C@](C)(O)[C@@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000257315581 206178816 /nfs/dbraw/zinc/17/88/16/206178816.db2.gz VCAUMDCIZTVVHT-FPOVZHCZSA-N 1 2 388.895 3.491 40 0 GGABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000257325845 206179173 /nfs/dbraw/zinc/17/91/73/206179173.db2.gz WURKWKYTUZJPDA-JOCHJYFZSA-N 1 2 380.467 3.427 40 0 GGABLO Cc1nn(C)cc1C[N@H+]1CCO[C@@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000257325845 206179177 /nfs/dbraw/zinc/17/91/77/206179177.db2.gz WURKWKYTUZJPDA-JOCHJYFZSA-N 1 2 380.467 3.427 40 0 GGABLO CN(C)C(=O)c1sc2nccnc2c1C1CC[NH+](Cc2cscn2)CC1 ZINC000257333872 206181165 /nfs/dbraw/zinc/18/11/65/206181165.db2.gz YDLQYQDFBZHKJJ-UHFFFAOYSA-N 1 2 387.534 3.229 40 0 GGABLO CCn1cc(C[N@@H+]2C[C@H]3c4cc(-c5ccsc5)ccc4S(=O)(=O)[C@H]3C2)cn1 ZINC000306138693 206204613 /nfs/dbraw/zinc/20/46/13/206204613.db2.gz SENQYRHRPUCNAF-ICSRJNTNSA-N 1 2 399.541 3.387 40 0 GGABLO CCn1cc(C[N@H+]2C[C@H]3c4cc(-c5ccsc5)ccc4S(=O)(=O)[C@H]3C2)cn1 ZINC000306138693 206204617 /nfs/dbraw/zinc/20/46/17/206204617.db2.gz SENQYRHRPUCNAF-ICSRJNTNSA-N 1 2 399.541 3.387 40 0 GGABLO Fc1cccc(-c2cnc3c(N4CC[NH+](Cc5ccccn5)CC4)nccn23)c1 ZINC000306139532 206204630 /nfs/dbraw/zinc/20/46/30/206204630.db2.gz SZRXCFWKTASGIZ-UHFFFAOYSA-N 1 2 388.450 3.253 40 0 GGABLO CCn1cc(C[N@@H+]2C[C@@H]3c4cc(-c5ccsc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306138695 206205321 /nfs/dbraw/zinc/20/53/21/206205321.db2.gz SENQYRHRPUCNAF-UYAOXDASSA-N 1 2 399.541 3.387 40 0 GGABLO CCn1cc(C[N@H+]2C[C@@H]3c4cc(-c5ccsc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306138695 206205323 /nfs/dbraw/zinc/20/53/23/206205323.db2.gz SENQYRHRPUCNAF-UYAOXDASSA-N 1 2 399.541 3.387 40 0 GGABLO O=C(NCC[C@@H]1CCOC12C[NH+](Cc1ccccc1Cl)C2)N1CCCC1 ZINC000306139975 206205481 /nfs/dbraw/zinc/20/54/81/206205481.db2.gz UFWVMTRJPGWFOS-QGZVFWFLSA-N 1 2 377.916 3.126 40 0 GGABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@H]2C[N@H+](Cc3ccncc3)C[C@@H]21 ZINC000306140942 206205786 /nfs/dbraw/zinc/20/57/86/206205786.db2.gz VHIUIIVMXVVIKV-QUCCMNQESA-N 1 2 395.459 3.038 40 0 GGABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@H]2C[N@@H+](Cc3ccncc3)C[C@@H]21 ZINC000306140942 206205790 /nfs/dbraw/zinc/20/57/90/206205790.db2.gz VHIUIIVMXVVIKV-QUCCMNQESA-N 1 2 395.459 3.038 40 0 GGABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@H]2C[N@H+](Cc3ccco3)C[C@@H]21 ZINC000306144705 206206578 /nfs/dbraw/zinc/20/65/78/206206578.db2.gz ZMONMGIHPSKXKS-MJGOQNOKSA-N 1 2 384.432 3.236 40 0 GGABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@H]2C[N@@H+](Cc3ccco3)C[C@@H]21 ZINC000306144705 206206583 /nfs/dbraw/zinc/20/65/83/206206583.db2.gz ZMONMGIHPSKXKS-MJGOQNOKSA-N 1 2 384.432 3.236 40 0 GGABLO O=C(Nc1ccccc1)N1CCC[C@]2(C[N@H+](Cc3cccnc3)CCO2)CC1 ZINC000306144438 206207277 /nfs/dbraw/zinc/20/72/77/206207277.db2.gz ZFEIRCJMDBONSL-JOCHJYFZSA-N 1 2 380.492 3.371 40 0 GGABLO O=C(Nc1ccccc1)N1CCC[C@]2(C[N@@H+](Cc3cccnc3)CCO2)CC1 ZINC000306144438 206207282 /nfs/dbraw/zinc/20/72/82/206207282.db2.gz ZFEIRCJMDBONSL-JOCHJYFZSA-N 1 2 380.492 3.371 40 0 GGABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]21 ZINC000306143862 206207851 /nfs/dbraw/zinc/20/78/51/206207851.db2.gz YOSOZVIOFYTAKD-AZUAARDMSA-N 1 2 395.459 3.038 40 0 GGABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]21 ZINC000306143862 206207856 /nfs/dbraw/zinc/20/78/56/206207856.db2.gz YOSOZVIOFYTAKD-AZUAARDMSA-N 1 2 395.459 3.038 40 0 GGABLO c1csc(-c2ccc3c([C@H]4C[N@H+](Cc5cccnc5)CCO4)nnn3c2)c1 ZINC000306125464 206197907 /nfs/dbraw/zinc/19/79/07/206197907.db2.gz CRZPKIVCKYFEQC-GOSISDBHSA-N 1 2 377.473 3.426 40 0 GGABLO c1csc(-c2ccc3c([C@H]4C[N@@H+](Cc5cccnc5)CCO4)nnn3c2)c1 ZINC000306125464 206197912 /nfs/dbraw/zinc/19/79/12/206197912.db2.gz CRZPKIVCKYFEQC-GOSISDBHSA-N 1 2 377.473 3.426 40 0 GGABLO CC(C)n1cc(C[N@@H+]2C[C@@H]3c4cc(-c5ccoc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306128910 206198224 /nfs/dbraw/zinc/19/82/24/206198224.db2.gz HOAYMLKNVKWDJB-TZIWHRDSSA-N 1 2 397.500 3.479 40 0 GGABLO CC(C)n1cc(C[N@H+]2C[C@@H]3c4cc(-c5ccoc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306128910 206198228 /nfs/dbraw/zinc/19/82/28/206198228.db2.gz HOAYMLKNVKWDJB-TZIWHRDSSA-N 1 2 397.500 3.479 40 0 GGABLO c1cc(C[N@@H+]2CCO[C@@H](c3nnn4cc(-c5ccncc5)ccc34)C2)cs1 ZINC000306129204 206198377 /nfs/dbraw/zinc/19/83/77/206198377.db2.gz HXLYIBZRNGDFIG-LJQANCHMSA-N 1 2 377.473 3.426 40 0 GGABLO c1cc(C[N@H+]2CCO[C@@H](c3nnn4cc(-c5ccncc5)ccc34)C2)cs1 ZINC000306129204 206198380 /nfs/dbraw/zinc/19/83/80/206198380.db2.gz HXLYIBZRNGDFIG-LJQANCHMSA-N 1 2 377.473 3.426 40 0 GGABLO c1cc(C[N@@H+]2CCO[C@H](c3nnn4cc(-c5ccncc5)ccc34)C2)cs1 ZINC000306129203 206198408 /nfs/dbraw/zinc/19/84/08/206198408.db2.gz HXLYIBZRNGDFIG-IBGZPJMESA-N 1 2 377.473 3.426 40 0 GGABLO c1cc(C[N@H+]2CCO[C@H](c3nnn4cc(-c5ccncc5)ccc34)C2)cs1 ZINC000306129203 206198411 /nfs/dbraw/zinc/19/84/11/206198411.db2.gz HXLYIBZRNGDFIG-IBGZPJMESA-N 1 2 377.473 3.426 40 0 GGABLO COc1cccc(-c2cnc3c(N4CC[NH+](Cc5ccco5)CC4)nccn23)c1 ZINC000306130048 206199436 /nfs/dbraw/zinc/19/94/36/206199436.db2.gz IVAHIZZDLPYFBE-UHFFFAOYSA-N 1 2 389.459 3.320 40 0 GGABLO Cc1cccc(C[N@@H+]2C[C@@H]3c4cc(-c5ccoc5)ccc4S(=O)(=O)[C@@H]3C2)n1 ZINC000306128844 206199555 /nfs/dbraw/zinc/19/95/55/206199555.db2.gz HMKVHTWUSGWAAF-TZIWHRDSSA-N 1 2 380.469 3.405 40 0 GGABLO Cc1cccc(C[N@H+]2C[C@@H]3c4cc(-c5ccoc5)ccc4S(=O)(=O)[C@@H]3C2)n1 ZINC000306128844 206199559 /nfs/dbraw/zinc/19/95/59/206199559.db2.gz HMKVHTWUSGWAAF-TZIWHRDSSA-N 1 2 380.469 3.405 40 0 GGABLO O=C(Cc1ccco1)N1CCC2(CCc3[nH+]cc(-c4ccncc4)n3C2)CC1 ZINC000306129822 206199828 /nfs/dbraw/zinc/19/98/28/206199828.db2.gz INZXYMGFWDIZIR-UHFFFAOYSA-N 1 2 376.460 3.336 40 0 GGABLO Cc1cc(C(=O)N2Cc3ccccc3[C@H](c3[nH+]ccn3Cc3cccnc3)C2)on1 ZINC000306130235 206199912 /nfs/dbraw/zinc/19/99/12/206199912.db2.gz IZPAUEAKPFZXRC-HXUWFJFHSA-N 1 2 399.454 3.411 40 0 GGABLO CN1CC[N@H+](Cc2nccs2)C[C@H]1c1cn2c(cccc2-c2ccncc2)n1 ZINC000306131029 206201901 /nfs/dbraw/zinc/20/19/01/206201901.db2.gz JVCZKMYWSVQBBM-IBGZPJMESA-N 1 2 390.516 3.342 40 0 GGABLO CN1CC[N@@H+](Cc2nccs2)C[C@H]1c1cn2c(cccc2-c2ccncc2)n1 ZINC000306131029 206201905 /nfs/dbraw/zinc/20/19/05/206201905.db2.gz JVCZKMYWSVQBBM-IBGZPJMESA-N 1 2 390.516 3.342 40 0 GGABLO COc1ccc(-c2cnc3c(N4CC[NH+](Cc5ccco5)CC4)nccn23)cc1 ZINC000306137521 206202544 /nfs/dbraw/zinc/20/25/44/206202544.db2.gz QYVSWOPMQBKTLH-UHFFFAOYSA-N 1 2 389.459 3.320 40 0 GGABLO Cc1ncsc1C[N@H+]1C[C@H]2[C@H](C1)c1cc(-c3cccnc3)ccc1S2(=O)=O ZINC000306136704 206203610 /nfs/dbraw/zinc/20/36/10/206203610.db2.gz QAUGLFPPCVRXNH-XLIONFOSSA-N 1 2 397.525 3.269 40 0 GGABLO Cc1ncsc1C[N@@H+]1C[C@H]2[C@H](C1)c1cc(-c3cccnc3)ccc1S2(=O)=O ZINC000306136704 206203611 /nfs/dbraw/zinc/20/36/11/206203611.db2.gz QAUGLFPPCVRXNH-XLIONFOSSA-N 1 2 397.525 3.269 40 0 GGABLO Cc1cccc(C[N@@H+]2CCO[C@H](c3nnn4cc(-c5ccncc5)ccc34)C2)n1 ZINC000306135293 206203780 /nfs/dbraw/zinc/20/37/80/206203780.db2.gz OMODYXXOCURSBN-NRFANRHFSA-N 1 2 386.459 3.068 40 0 GGABLO Cc1cccc(C[N@H+]2CCO[C@H](c3nnn4cc(-c5ccncc5)ccc34)C2)n1 ZINC000306135293 206203783 /nfs/dbraw/zinc/20/37/83/206203783.db2.gz OMODYXXOCURSBN-NRFANRHFSA-N 1 2 386.459 3.068 40 0 GGABLO COc1ccc([C@@H](c2c(C)[nH]n(-c3ccccc3)c2=O)[NH+]2CCOCC2)cc1 ZINC000103670222 533137682 /nfs/dbraw/zinc/13/76/82/533137682.db2.gz RIOXAWAJNBGQHH-RTWAWAEBSA-N 1 2 379.460 3.107 40 0 GGABLO CSc1ccccc1NC(=O)[C@H]1CCCN(c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000062022863 136156392 /nfs/dbraw/zinc/15/63/92/136156392.db2.gz ZBQBNXOENVEHOT-HNNXBMFYSA-N 1 2 394.504 3.239 40 0 GGABLO Cc1cc(N2CCN(C(=O)N3CCOCC3)CC2)[nH+]c2c1cccc2C(C)C ZINC000065515258 136164235 /nfs/dbraw/zinc/16/42/35/136164235.db2.gz MRXWOXGGDUNDSD-UHFFFAOYSA-N 1 2 382.508 3.241 40 0 GGABLO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccc(Cl)c2)C3)C[C@H](C)O1 ZINC000072347255 136168737 /nfs/dbraw/zinc/16/87/37/136168737.db2.gz DWVQWFJBHWPEOR-KBPBESRZSA-N 1 2 388.899 3.008 40 0 GGABLO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccc(Cl)c2)C3)C[C@H](C)O1 ZINC000072347255 136168738 /nfs/dbraw/zinc/16/87/38/136168738.db2.gz DWVQWFJBHWPEOR-KBPBESRZSA-N 1 2 388.899 3.008 40 0 GGABLO O=C(C[NH+]1CCC(c2nnc(C(F)(F)F)o2)CC1)N1CCCc2ccccc21 ZINC000077198064 136171797 /nfs/dbraw/zinc/17/17/97/136171797.db2.gz SCQRBDJVAHBXRM-UHFFFAOYSA-N 1 2 394.397 3.247 40 0 GGABLO Cc1ccnc(Nc2cc(N3CCN(C(=O)C4CCCC4)CC3)[nH+]c(C)n2)c1 ZINC000090607931 136176111 /nfs/dbraw/zinc/17/61/11/136176111.db2.gz GHPDHVRDTVDEEX-UHFFFAOYSA-N 1 2 380.496 3.071 40 0 GGABLO Cc1ccnc(Nc2cc(N3CCN(C(=O)c4cccs4)CC3)[nH+]c(C)n2)c1 ZINC000096024999 136183347 /nfs/dbraw/zinc/18/33/47/136183347.db2.gz JJTDHPXHOMNUEZ-UHFFFAOYSA-N 1 2 394.504 3.256 40 0 GGABLO CCc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCCN(c2cccc[nH+]2)C3)cc1 ZINC000096216775 136185264 /nfs/dbraw/zinc/18/52/64/136185264.db2.gz ZFOAHCRNXFNECJ-NRFANRHFSA-N 1 2 385.533 3.325 40 0 GGABLO COc1ccc2[nH]c(=O)c(C[NH2+]c3ccc(N4CCC[C@H](O)C4)cc3)cc2c1 ZINC000013563064 136201242 /nfs/dbraw/zinc/20/12/42/136201242.db2.gz PTEXXDPZEKLIAF-IBGZPJMESA-N 1 2 379.460 3.110 40 0 GGABLO CC(C)(C)n1nnnc1[C@@H](c1ccccc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000020139232 136202478 /nfs/dbraw/zinc/20/24/78/136202478.db2.gz BJFPFKVWGNGHCY-HXUWFJFHSA-N 1 2 394.498 3.479 40 0 GGABLO CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000022200670 136203758 /nfs/dbraw/zinc/20/37/58/136203758.db2.gz RBVKZIJGTKVVEX-UHFFFAOYSA-N 1 2 389.883 3.045 40 0 GGABLO CN(C)c1nc(N2CCOCC2)[nH+]cc1NC(=O)Nc1ccc2ccccc2c1 ZINC000224147233 136206241 /nfs/dbraw/zinc/20/62/41/136206241.db2.gz XNXBGWAMKNPTJV-UHFFFAOYSA-N 1 2 392.463 3.176 40 0 GGABLO COc1ccc(NC(=O)Nc2c[nH+]c(N3CCCCC3)nc2N(C)C)c(C)c1 ZINC000224144834 136206288 /nfs/dbraw/zinc/20/62/88/136206288.db2.gz MEOSQULLIBBUGL-UHFFFAOYSA-N 1 2 384.484 3.494 40 0 GGABLO COc1ccc([C@H](NC(=O)[C@@H](C)Oc2ccc(C)cc2)c2[nH+]ccn2C)cc1 ZINC000009156866 525369639 /nfs/dbraw/zinc/36/96/39/525369639.db2.gz GKNSKOUCTKDUPG-UZLBHIALSA-N 1 2 379.460 3.410 40 0 GGABLO CC(C)[C@H](c1nnnn1CCc1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000013505434 535169457 /nfs/dbraw/zinc/16/94/57/535169457.db2.gz XNMHDGCLGGICEW-JOCHJYFZSA-N 1 2 390.535 3.435 40 0 GGABLO CCOc1ccc(C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1OC ZINC000016103365 535700581 /nfs/dbraw/zinc/70/05/81/535700581.db2.gz JWZCEHXFSHIOMG-UHFFFAOYSA-N 1 2 398.507 3.278 40 0 GGABLO CC1(C)CN(C(=O)c2ccccc2)C[C@@H]2CN(Cc3ccc(F)cc3)CC[N@@H+]21 ZINC000253398802 560040504 /nfs/dbraw/zinc/04/05/04/560040504.db2.gz HOSHGJWZVZASBG-NRFANRHFSA-N 1 2 381.495 3.247 40 0 biogenic,in-vitro GGABLO CC1(C)CN(C(=O)c2ccccc2)C[C@@H]2CN(Cc3ccc(F)cc3)CC[N@H+]21 ZINC000253398802 560040506 /nfs/dbraw/zinc/04/05/06/560040506.db2.gz HOSHGJWZVZASBG-NRFANRHFSA-N 1 2 381.495 3.247 40 0 biogenic,in-vitro GGABLO Fc1ccc(-c2cc(CC3([NH2+]Cc4cccc5c4OCO5)COC3)no2)cc1 ZINC000067897878 560050292 /nfs/dbraw/zinc/05/02/92/560050292.db2.gz FYDSOLNGPWGIOC-UHFFFAOYSA-N 1 2 382.391 3.311 40 0 biogenic,in-vitro GGABLO COc1ccc(-c2noc([C@@H]3Cc4[nH]c[nH+]c4CN3C(=O)c3ccco3)n2)cc1 ZINC000015675968 560094637 /nfs/dbraw/zinc/09/46/37/560094637.db2.gz HMOJGYXICPJPNC-INIZCTEOSA-N 1 2 391.387 3.001 40 0 biogenic,in-vitro GGABLO COc1ccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3C(=O)c3ccco3)n2)cc1 ZINC000015675968 560094638 /nfs/dbraw/zinc/09/46/38/560094638.db2.gz HMOJGYXICPJPNC-INIZCTEOSA-N 1 2 391.387 3.001 40 0 biogenic,in-vitro GGABLO O=C(Nc1ccccc1)N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(-c2ccncc2)no1 ZINC000015675912 560094866 /nfs/dbraw/zinc/09/48/66/560094866.db2.gz BYEMTQOCNZCLMG-KRWDZBQOSA-N 1 2 387.403 3.186 40 0 biogenic,in-vitro GGABLO O=C(Nc1ccccc1)N1Cc2[nH]c[nH+]c2C[C@H]1c1nc(-c2ccncc2)no1 ZINC000015675912 560094868 /nfs/dbraw/zinc/09/48/68/560094868.db2.gz BYEMTQOCNZCLMG-KRWDZBQOSA-N 1 2 387.403 3.186 40 0 biogenic,in-vitro GGABLO COc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)Nc4ccccc4)C[N@@H+]3C)n2)cc1 ZINC000012529925 560212853 /nfs/dbraw/zinc/21/28/53/560212853.db2.gz MCXHSOGIOSLXGK-WMZOPIPTSA-N 1 2 393.447 3.312 40 0 biogenic,in-vitro GGABLO COc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)Nc4ccccc4)C[N@H+]3C)n2)cc1 ZINC000012529925 560212854 /nfs/dbraw/zinc/21/28/54/560212854.db2.gz MCXHSOGIOSLXGK-WMZOPIPTSA-N 1 2 393.447 3.312 40 0 biogenic,in-vitro GGABLO COc1ccc(C(=O)N[C@H]2C[C@@H](c3nc(-c4ccc(F)cc4)no3)[N@H+](C)C2)cc1 ZINC000012529950 560212935 /nfs/dbraw/zinc/21/29/35/560212935.db2.gz NCIPKONLXUIKIR-WMZOPIPTSA-N 1 2 396.422 3.060 40 0 biogenic,in-vitro GGABLO COc1ccc(C(=O)N[C@H]2C[C@@H](c3nc(-c4ccc(F)cc4)no3)[N@@H+](C)C2)cc1 ZINC000012529950 560212937 /nfs/dbraw/zinc/21/29/37/560212937.db2.gz NCIPKONLXUIKIR-WMZOPIPTSA-N 1 2 396.422 3.060 40 0 biogenic,in-vitro GGABLO C[N@H+](CC(=O)Nc1ccc(Br)cc1F)Cc1ccc2c(c1)OCO2 ZINC000007639502 564239141 /nfs/dbraw/zinc/23/91/41/564239141.db2.gz IGWBAIWXLVARML-UHFFFAOYSA-N 1 2 395.228 3.387 40 0 GGABLO C[N@@H+](CC(=O)Nc1ccc(Br)cc1F)Cc1ccc2c(c1)OCO2 ZINC000007639502 564239142 /nfs/dbraw/zinc/23/91/42/564239142.db2.gz IGWBAIWXLVARML-UHFFFAOYSA-N 1 2 395.228 3.387 40 0 GGABLO Cc1ccc(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)cc1 ZINC000017521359 564298161 /nfs/dbraw/zinc/29/81/61/564298161.db2.gz WRIBMHSRWRFEFF-QGZVFWFLSA-N 1 2 375.881 3.450 40 0 GGABLO CC[NH+](CC)[C@H](CNS(=O)(=O)c1c(C)noc1C)c1ccccc1Cl ZINC000023325159 564323112 /nfs/dbraw/zinc/32/31/12/564323112.db2.gz BGTCBWSXOMROCX-MRXNPFEDSA-N 1 2 385.917 3.306 40 0 GGABLO COc1ccc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)cc1Cl ZINC000030849466 564385347 /nfs/dbraw/zinc/38/53/47/564385347.db2.gz ZLNUHOXBUGBWKJ-UHFFFAOYSA-N 1 2 377.853 3.013 40 0 GGABLO O=C(C[NH+](C[C@H]1CCCO1)C[C@H]1CCCO1)Nc1ccccc1Br ZINC000048375392 564538595 /nfs/dbraw/zinc/53/85/95/564538595.db2.gz WYGJIACOSWHHLB-HUUCEWRRSA-N 1 2 397.313 3.048 40 0 GGABLO [NH3+][C@@H](Cc1ccccc1)c1nc(-c2ccc(I)cc2)n[nH]1 ZINC000095534880 564899677 /nfs/dbraw/zinc/89/96/77/564899677.db2.gz LPNKCEASUBNOEI-AWEZNQCLSA-N 1 2 390.228 3.319 40 0 GGABLO C[N@@H+]1CCN(S(=O)(=O)c2cccc(Br)c2)c2ccccc2C1 ZINC000103498075 564949696 /nfs/dbraw/zinc/94/96/96/564949696.db2.gz PIDNPGMKMNLXDJ-UHFFFAOYSA-N 1 2 381.295 3.090 40 0 GGABLO C[N@H+]1CCN(S(=O)(=O)c2cccc(Br)c2)c2ccccc2C1 ZINC000103498075 564949697 /nfs/dbraw/zinc/94/96/97/564949697.db2.gz PIDNPGMKMNLXDJ-UHFFFAOYSA-N 1 2 381.295 3.090 40 0 GGABLO Cc1ccc2c(c1Br)CN(C(=O)NCc1ccc[nH+]c1N(C)C)C2 ZINC000660342435 567289415 /nfs/dbraw/zinc/28/94/15/567289415.db2.gz RAQYZPLJAMBRDW-UHFFFAOYSA-N 1 2 389.297 3.444 40 0 GGABLO CCCn1ncc2ccc([C@@H]3CCC[N@H+](CC(=O)Nc4nccs4)C3)nc21 ZINC000019742202 570212895 /nfs/dbraw/zinc/21/28/95/570212895.db2.gz GUIMQVCOIYGXHZ-OAHLLOKOSA-N 1 2 384.509 3.116 40 0 GGABLO CCCn1ncc2ccc([C@@H]3CCC[N@@H+](CC(=O)Nc4nccs4)C3)nc21 ZINC000019742202 570212898 /nfs/dbraw/zinc/21/28/98/570212898.db2.gz GUIMQVCOIYGXHZ-OAHLLOKOSA-N 1 2 384.509 3.116 40 0 GGABLO CC[N@@H+]1CCn2c(-c3cccc(F)c3)cnc2C12CCN(C(=O)C(C)C)CC2 ZINC000096144985 570213517 /nfs/dbraw/zinc/21/35/17/570213517.db2.gz AFASHRCIYBUOJJ-UHFFFAOYSA-N 1 2 384.499 3.498 40 0 GGABLO CC[N@H+]1CCn2c(-c3cccc(F)c3)cnc2C12CCN(C(=O)C(C)C)CC2 ZINC000096144985 570213518 /nfs/dbraw/zinc/21/35/18/570213518.db2.gz AFASHRCIYBUOJJ-UHFFFAOYSA-N 1 2 384.499 3.498 40 0 GGABLO CCCNC(=O)[C@H]1C[C@@]2(CO1)c1ccccc1C[N@H+]2Cc1cccc(OC)c1 ZINC000096143942 570213521 /nfs/dbraw/zinc/21/35/21/570213521.db2.gz FMINFBFJULTWQC-FYYLOGMGSA-N 1 2 380.488 3.221 40 0 GGABLO CCCNC(=O)[C@H]1C[C@@]2(CO1)c1ccccc1C[N@@H+]2Cc1cccc(OC)c1 ZINC000096143942 570213522 /nfs/dbraw/zinc/21/35/22/570213522.db2.gz FMINFBFJULTWQC-FYYLOGMGSA-N 1 2 380.488 3.221 40 0 GGABLO CC[C@@H](C)S(=O)(=O)N1CCC(Cc2cc(N3CCCCC3)nc(C)[nH+]2)CC1 ZINC000019758888 570216254 /nfs/dbraw/zinc/21/62/54/570216254.db2.gz INXDVPXYZQCFPM-MRXNPFEDSA-N 1 2 394.585 3.158 40 0 GGABLO Cc1nc([C@H]2CCCC[N@H+]2Cc2cnn(C)c2)ncc1C(=O)Nc1ccccc1 ZINC000019764808 570217378 /nfs/dbraw/zinc/21/73/78/570217378.db2.gz IXXNOCNBNXIZEO-HXUWFJFHSA-N 1 2 390.491 3.498 40 0 GGABLO Cc1nc([C@H]2CCCC[N@@H+]2Cc2cnn(C)c2)ncc1C(=O)Nc1ccccc1 ZINC000019764808 570217382 /nfs/dbraw/zinc/21/73/82/570217382.db2.gz IXXNOCNBNXIZEO-HXUWFJFHSA-N 1 2 390.491 3.498 40 0 GGABLO Cc1nc(C[N@@H+]2CCOC[C@]3(C[C@H](CNc4cccc(F)c4)CO3)C2)cs1 ZINC000096240417 570222169 /nfs/dbraw/zinc/22/21/69/570222169.db2.gz AGAPRRHDOAQFCF-UZLBHIALSA-N 1 2 391.512 3.310 40 0 GGABLO Cc1nc(C[N@H+]2CCOC[C@]3(C[C@H](CNc4cccc(F)c4)CO3)C2)cs1 ZINC000096240417 570222171 /nfs/dbraw/zinc/22/21/71/570222171.db2.gz AGAPRRHDOAQFCF-UZLBHIALSA-N 1 2 391.512 3.310 40 0 GGABLO CC(C)Nc1nc(NC2CC2)c2c([nH+]1)CCN(C(=O)c1cccc(N(C)C)c1)C2 ZINC000096254169 570224899 /nfs/dbraw/zinc/22/48/99/570224899.db2.gz OMHYCXVRBDSHIF-UHFFFAOYSA-N 1 2 394.523 3.136 40 0 GGABLO Cc1cccc(NC(=O)N2CCc3[nH+]c(N4CCCC4)nc(N(C)C)c3C2)c1 ZINC000096253974 570225092 /nfs/dbraw/zinc/22/50/92/570225092.db2.gz DMJBZIAIMFZXPT-UHFFFAOYSA-N 1 2 380.496 3.041 40 0 GGABLO CC(C)Nc1nc(N2CCCC2)[nH+]c2c1CN(C(=O)Cc1ccsc1)CC2 ZINC000096254259 570225104 /nfs/dbraw/zinc/22/51/04/570225104.db2.gz CKRUUFASPOQWMI-UHFFFAOYSA-N 1 2 385.537 3.086 40 0 GGABLO CCCc1ccc(C(=O)N2CCCn3c(C[NH+]4CCCCC4)nnc3C2)cc1 ZINC000096259685 570225417 /nfs/dbraw/zinc/22/54/17/570225417.db2.gz ODWRVLAQEJRXSA-UHFFFAOYSA-N 1 2 381.524 3.263 40 0 GGABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(C)c(C)c2[nH]c1=O)[NH+]1CCCC1 ZINC000000909125 570229499 /nfs/dbraw/zinc/22/94/99/570229499.db2.gz YPOYWZMSSFKMLF-LJQANCHMSA-N 1 2 394.523 3.462 40 0 GGABLO CCOC(=O)c1nnc2c(-c3ccc(OC)cc3)c(CC)nn2c1/C=C/[NH+](C)C ZINC000019960815 570233868 /nfs/dbraw/zinc/23/38/68/570233868.db2.gz YHYQUZMOZYEEIT-OUKQBFOZSA-N 1 2 395.463 3.071 40 0 GGABLO COc1ccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1OC(F)F ZINC000048344151 570240326 /nfs/dbraw/zinc/24/03/26/570240326.db2.gz LZHTVYGUKJWKSP-UHFFFAOYSA-N 1 2 377.391 3.090 40 0 GGABLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@H](Cc2ccnc(Nc3ccccn3)c2)C1 ZINC000585290556 570258983 /nfs/dbraw/zinc/25/89/83/570258983.db2.gz CKVNBWRKYNPWAN-IPLHWJFFSA-N 1 2 388.475 3.438 40 0 GGABLO CCn1c2ccccc2nc1N1CC[NH+](CC(=O)Nc2cccc(C)c2C)CC1 ZINC000001370912 570261418 /nfs/dbraw/zinc/26/14/18/570261418.db2.gz WAUCTMSXIWMFNP-UHFFFAOYSA-N 1 2 391.519 3.434 40 0 GGABLO Cc1cc2nc([C@H]([NH2+]Cc3ccc(N4CCCC4=O)cc3)C(C)C)cc(=O)n2[nH]1 ZINC000100217724 570269119 /nfs/dbraw/zinc/26/91/19/570269119.db2.gz WRGZBNYTFIRJAL-JOCHJYFZSA-N 1 2 393.491 3.357 40 0 GGABLO CC(C)CCN1C[NH+]=C2N[C@H](c3cccnc3)n3c4ccccc4nc3N2C1 ZINC000020638658 570273699 /nfs/dbraw/zinc/27/36/99/570273699.db2.gz ZKPBQKLPWPPBFR-IBGZPJMESA-N 1 2 375.480 3.021 40 0 GGABLO CCCCOc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)c2ccccc12 ZINC000101370810 570283085 /nfs/dbraw/zinc/28/30/85/570283085.db2.gz LUZJMCONQGUHSM-UHFFFAOYSA-O 1 2 388.513 3.003 40 0 GGABLO COc1ccc(C[NH+]2CCN(c3ccc(S(=O)(=O)C(F)F)cc3)CC2)cc1 ZINC000043272558 570298495 /nfs/dbraw/zinc/29/84/95/570298495.db2.gz DHUDVNPVAJWOEC-UHFFFAOYSA-N 1 2 396.459 3.014 40 0 GGABLO COC(=O)c1ccc(Cl)c(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000216359464 570299701 /nfs/dbraw/zinc/29/97/01/570299701.db2.gz ZKFRBJFLZIKPTE-UHFFFAOYSA-N 1 2 388.851 3.211 40 0 GGABLO CCOC(=O)C1C(C[N@H+](C)Cc2ccccc2F)=NC(=O)N[C@H]1c1ccccc1 ZINC000022060012 570303604 /nfs/dbraw/zinc/30/36/04/570303604.db2.gz UTQXWHOHNNOXLK-FQEVSTJZSA-N 1 2 397.450 3.129 40 0 GGABLO CCOC(=O)C1C(C[N@@H+](C)Cc2ccccc2F)=NC(=O)N[C@H]1c1ccccc1 ZINC000022060012 570303606 /nfs/dbraw/zinc/30/36/06/570303606.db2.gz UTQXWHOHNNOXLK-FQEVSTJZSA-N 1 2 397.450 3.129 40 0 GGABLO CC(=O)N1CCCC[C@@H]1c1ccc[nH+]c1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216496 570317506 /nfs/dbraw/zinc/31/75/06/570317506.db2.gz AJZDIICKHYIABQ-GOSISDBHSA-N 1 2 388.512 3.212 40 0 GGABLO Cc1cc(N2CCOCC2)[nH+]cc1C(=O)CCCCNC(=O)OC(C)(C)C ZINC000072219440 570318313 /nfs/dbraw/zinc/31/83/13/570318313.db2.gz ODVBRPUZXVWILD-UHFFFAOYSA-N 1 2 377.485 3.104 40 0 GGABLO CCn1c(COc2ccc3ccccc3c2)nnc1SCC[NH+]1CCOCC1 ZINC000020151147 570323922 /nfs/dbraw/zinc/32/39/22/570323922.db2.gz ZSGZWNDEXQTLCP-UHFFFAOYSA-N 1 2 398.532 3.455 40 0 GGABLO CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000408573346 570340702 /nfs/dbraw/zinc/34/07/02/570340702.db2.gz BZAGXCBVVVEKCR-UHFFFAOYSA-N 1 2 395.503 3.253 40 0 GGABLO Cn1cc[nH+]c1[C@@H](NC(=O)CCc1ccc2c(c1)OCO2)c1cccc(F)c1 ZINC000024016575 570342226 /nfs/dbraw/zinc/34/22/26/570342226.db2.gz UZLQQGFPCJYAKZ-FQEVSTJZSA-N 1 2 381.407 3.126 40 0 GGABLO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000023330145 570354783 /nfs/dbraw/zinc/35/47/83/570354783.db2.gz MABCOZZEGFRPNG-SOLBZPMBSA-N 1 2 393.553 3.134 40 0 GGABLO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000023330145 570354788 /nfs/dbraw/zinc/35/47/88/570354788.db2.gz MABCOZZEGFRPNG-SOLBZPMBSA-N 1 2 393.553 3.134 40 0 GGABLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000023889877 570374832 /nfs/dbraw/zinc/37/48/32/570374832.db2.gz JYMROGWDQLYBAL-UHFFFAOYSA-N 1 2 380.473 3.425 40 0 GGABLO O=C(CN1CC[NH+](C/C=C/c2ccccc2)CC1)NCc1ccccc1Cl ZINC000022040343 570385351 /nfs/dbraw/zinc/38/53/51/570385351.db2.gz UYCVCDMWNZQMBR-RMKNXTFCSA-N 1 2 383.923 3.287 40 0 GGABLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)N[C@H]2CCC23CCCC3)CC1 ZINC000685938839 570396796 /nfs/dbraw/zinc/39/67/96/570396796.db2.gz YIUYIINFDKVSKF-FQEVSTJZSA-N 1 2 384.524 3.195 40 0 GGABLO CC1(C)CCc2cc(S(=O)(=O)NCc3ccc(-n4cc[nH+]c4)cc3)ccc2O1 ZINC000223705992 570480105 /nfs/dbraw/zinc/48/01/05/570480105.db2.gz UMULFLXMIJPLJV-UHFFFAOYSA-N 1 2 397.500 3.454 40 0 GGABLO CNC(=O)c1ccc(C[N@H+](C)[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)cc1 ZINC000029930127 570483012 /nfs/dbraw/zinc/48/30/12/570483012.db2.gz XRXAWLNDTVJTRF-LBPRGKRZSA-N 1 2 384.505 3.154 40 0 GGABLO CNC(=O)c1ccc(C[N@@H+](C)[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)cc1 ZINC000029930127 570483013 /nfs/dbraw/zinc/48/30/13/570483013.db2.gz XRXAWLNDTVJTRF-LBPRGKRZSA-N 1 2 384.505 3.154 40 0 GGABLO CNC(=O)c1ccc(C[N@H+](C)[C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)cc1 ZINC000029930129 570483020 /nfs/dbraw/zinc/48/30/20/570483020.db2.gz XRXAWLNDTVJTRF-GFCCVEGCSA-N 1 2 384.505 3.154 40 0 GGABLO CNC(=O)c1ccc(C[N@@H+](C)[C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)cc1 ZINC000029930129 570483023 /nfs/dbraw/zinc/48/30/23/570483023.db2.gz XRXAWLNDTVJTRF-GFCCVEGCSA-N 1 2 384.505 3.154 40 0 GGABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[NH+]3CCCC3)cc12 ZINC000000894103 570512816 /nfs/dbraw/zinc/51/28/16/570512816.db2.gz HOMVGWSJLTZDSE-FQEVSTJZSA-N 1 2 392.507 3.432 40 0 GGABLO Cc1cc(C)c2cc([C@H](c3nnnn3C3CCCC3)[NH+]3CCCC3)c(=O)[nH]c2c1 ZINC000000894457 570513172 /nfs/dbraw/zinc/51/31/72/570513172.db2.gz PQMKWCFWJFMMKS-HXUWFJFHSA-N 1 2 392.507 3.432 40 0 GGABLO C[C@H]1CCCC[C@@H]1NC(=O)Cn1c(C[NH+]2CCCCC2)nc2ccccc2c1=O ZINC000000920467 570536976 /nfs/dbraw/zinc/53/69/76/570536976.db2.gz OMUGRPAXPCUJSF-HKUYNNGSSA-N 1 2 396.535 3.077 40 0 GGABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[NH+]3CCCCC3)cc2c1 ZINC000000930082 570540297 /nfs/dbraw/zinc/54/02/97/570540297.db2.gz RPVTWDWAFQJYGR-SFHVURJKSA-N 1 2 380.496 3.153 40 0 GGABLO COc1ccc(F)cc1C[NH+]1CCN([C@H](C)C(=O)Nc2ccccc2F)CC1 ZINC000022785014 570546835 /nfs/dbraw/zinc/54/68/35/570546835.db2.gz YPZMVRVYUCSWCP-OAHLLOKOSA-N 1 2 389.446 3.118 40 0 GGABLO Cc1ccc2cc([C@H](c3nnnn3C(C)(C)C)[NH+]3CCCCC3)c(=O)[nH]c2c1C ZINC000004212249 570623051 /nfs/dbraw/zinc/62/30/51/570623051.db2.gz WLUNFMRQMKUAOM-LJQANCHMSA-N 1 2 394.523 3.462 40 0 GGABLO COc1cc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)c(OC)cc1Cl ZINC000044950080 570645309 /nfs/dbraw/zinc/64/53/09/570645309.db2.gz HAZSZVIEGCBEDY-UHFFFAOYSA-N 1 2 390.867 3.442 40 0 GGABLO CC(=O)c1ccc(NC(=O)C[NH+]2CCC(NC(=O)c3ccccc3C)CC2)cc1 ZINC000004908939 570648039 /nfs/dbraw/zinc/64/80/39/570648039.db2.gz SCNVDKZEXOMFQK-UHFFFAOYSA-N 1 2 393.487 3.031 40 0 GGABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)[NH+]1CCCC1 ZINC000008582748 570680853 /nfs/dbraw/zinc/68/08/53/570680853.db2.gz XYXJIFBZNJAWQF-SFHVURJKSA-N 1 2 380.496 3.153 40 0 GGABLO COc1ccccc1[C@H](CNC(=O)c1cc(=O)c2cc(C)ccc2o1)[NH+](C)C ZINC000025457493 570753546 /nfs/dbraw/zinc/75/35/46/570753546.db2.gz ACASAEYCHBSWLA-KRWDZBQOSA-N 1 2 380.444 3.143 40 0 GGABLO C[C@H]1CC(=O)c2cnc(NC(=O)C[NH+]3CCC(Cc4ccccc4)CC3)nc2C1 ZINC000013636078 570765298 /nfs/dbraw/zinc/76/52/98/570765298.db2.gz FQDIMCYSUZQMDV-MRXNPFEDSA-N 1 2 392.503 3.135 40 0 GGABLO CC(C)CCN1C[NH+]=C2N[C@H](c3ccccn3)n3c4ccccc4nc3N2C1 ZINC000013638298 570765400 /nfs/dbraw/zinc/76/54/00/570765400.db2.gz XRZYCNYPFVIIBI-IBGZPJMESA-N 1 2 375.480 3.021 40 0 GGABLO Cc1ccc(C)c(O[C@H](C)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000013710536 570777667 /nfs/dbraw/zinc/77/76/67/570777667.db2.gz DFNDAYJASDSEOO-GOSISDBHSA-N 1 2 396.487 3.144 40 0 GGABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(C)cc1 ZINC000261362628 570788228 /nfs/dbraw/zinc/78/82/28/570788228.db2.gz MJILAJYOMWZCNS-IBGZPJMESA-O 1 2 379.465 3.080 40 0 GGABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1sccc1C ZINC000261362293 570788255 /nfs/dbraw/zinc/78/82/55/570788255.db2.gz CRAMGGYOVGHEFX-QGZVFWFLSA-O 1 2 385.494 3.142 40 0 GGABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(C)o1 ZINC000261364907 570788541 /nfs/dbraw/zinc/78/85/41/570788541.db2.gz ORBFHZDMLPCMMF-GOSISDBHSA-O 1 2 383.453 3.064 40 0 GGABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1cccs1 ZINC000261365257 570788669 /nfs/dbraw/zinc/78/86/69/570788669.db2.gz QYPQYJYLHFAZJB-QGZVFWFLSA-O 1 2 385.494 3.224 40 0 GGABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1ccccc1C ZINC000261363791 570788697 /nfs/dbraw/zinc/78/86/97/570788697.db2.gz IGDSOYHPSOFJBQ-HXUWFJFHSA-O 1 2 393.492 3.471 40 0 GGABLO CC(=O)N1c2ccccc2-c2c(=O)[nH]c(SCc3ccccc3)n[n+]2[C@@H]1C ZINC000261365706 570789228 /nfs/dbraw/zinc/78/92/28/570789228.db2.gz UTGTZSMNSTVTAD-CYBMUJFWSA-O 1 2 379.465 3.314 40 0 GGABLO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@@H](C(=O)c4ccccc4)[C@@H]3C2=O)cc1C ZINC000013811399 570791422 /nfs/dbraw/zinc/79/14/22/570791422.db2.gz ZHQNWZMABXGLTE-PLACYPQZSA-N 1 2 388.467 3.139 40 0 GGABLO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@@H](C(=O)c4ccccc4)[C@@H]3C2=O)cc1C ZINC000013811399 570791427 /nfs/dbraw/zinc/79/14/27/570791427.db2.gz ZHQNWZMABXGLTE-PLACYPQZSA-N 1 2 388.467 3.139 40 0 GGABLO CSc1ncc(Cl)c(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)n1 ZINC000032753550 570796528 /nfs/dbraw/zinc/79/65/28/570796528.db2.gz YYRXPMCBAOJURH-CYBMUJFWSA-N 1 2 391.859 3.244 40 0 GGABLO O=C(C[NH+]1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1)Nc1ccccc1 ZINC000012614684 570809048 /nfs/dbraw/zinc/80/90/48/570809048.db2.gz LKALOLWCMACDHG-UHFFFAOYSA-N 1 2 395.547 3.422 40 0 GGABLO O=C(NCCc1c[nH]c2ccccc12)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000014069144 570818358 /nfs/dbraw/zinc/81/83/58/570818358.db2.gz BLAWFYPYPAHWDO-LJQANCHMSA-N 1 2 398.532 3.145 40 0 GGABLO O=C(NCCc1c[nH]c2ccccc12)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000014069148 570818402 /nfs/dbraw/zinc/81/84/02/570818402.db2.gz BLAWFYPYPAHWDO-IBGZPJMESA-N 1 2 398.532 3.145 40 0 GGABLO COc1cc2c(cc1CN(CCC[NH+]1CCOCC1)Cc1cccnc1)CCC2 ZINC000013569075 570850817 /nfs/dbraw/zinc/85/08/17/570850817.db2.gz RSWQXXLDLZDGTR-UHFFFAOYSA-N 1 2 395.547 3.303 40 0 GGABLO c1ccc2c(c1)nc1n2[C@@H]([C@@H]2CC=CCC2)NC2=[NH+]CN(Cc3cccnc3)CN12 ZINC000013634019 570862187 /nfs/dbraw/zinc/86/21/87/570862187.db2.gz OTHILNUNGWMROG-NQIIRXRSSA-N 1 2 399.502 3.483 40 0 GGABLO CC(C)(C)c1cc2nccc([C@H]3CC[C@H](CNC(=O)Cn4cc[nH+]c4)CC3)n2n1 ZINC000257245360 570893846 /nfs/dbraw/zinc/89/38/46/570893846.db2.gz IPDBYFAKIHVULG-QAQDUYKDSA-N 1 2 394.523 3.314 40 0 GGABLO Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000016268971 570912189 /nfs/dbraw/zinc/91/21/89/570912189.db2.gz SJRXVKSUYMHONK-UHFFFAOYSA-N 1 2 383.517 3.262 40 0 GGABLO O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000016039132 570912415 /nfs/dbraw/zinc/91/24/15/570912415.db2.gz GCROWAQCHLPUIQ-AKHDSKFASA-N 1 2 394.858 3.175 40 0 GGABLO O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000016039132 570912422 /nfs/dbraw/zinc/91/24/22/570912422.db2.gz GCROWAQCHLPUIQ-AKHDSKFASA-N 1 2 394.858 3.175 40 0 GGABLO Cc1cc(N2CCN(C(=O)c3cncn3-c3ccccc3)CC2)nc(C(C)C)[nH+]1 ZINC000016103431 570913887 /nfs/dbraw/zinc/91/38/87/570913887.db2.gz LAHPEWFYBVGHDZ-UHFFFAOYSA-N 1 2 390.491 3.057 40 0 GGABLO Cc1ccccc1C[N@@H+]1CCc2oc(C(=O)N3CCC(F)(F)CC3)nc2C1 ZINC000585113088 570943593 /nfs/dbraw/zinc/94/35/93/570943593.db2.gz ZKFWBZUVZFFZEX-UHFFFAOYSA-N 1 2 375.419 3.413 40 0 GGABLO Cc1ccccc1C[N@H+]1CCc2oc(C(=O)N3CCC(F)(F)CC3)nc2C1 ZINC000585113088 570943595 /nfs/dbraw/zinc/94/35/95/570943595.db2.gz ZKFWBZUVZFFZEX-UHFFFAOYSA-N 1 2 375.419 3.413 40 0 GGABLO COc1cccc([C@@H](NS(=O)(=O)c2ccc(C)c(C)c2)c2[nH+]ccn2C)c1 ZINC000017522251 570947284 /nfs/dbraw/zinc/94/72/84/570947284.db2.gz LHQKLIHJLSDOHI-LJQANCHMSA-N 1 2 385.489 3.113 40 0 GGABLO CC(=O)N1CCc2nc([C@@H]3CCCC[N@@H+]3CCOc3ccccc3F)ncc2C1 ZINC000019018267 570954557 /nfs/dbraw/zinc/95/45/57/570954557.db2.gz PPUNWBVOETYBSS-FQEVSTJZSA-N 1 2 398.482 3.126 40 0 GGABLO CC(=O)N1CCc2nc([C@@H]3CCCC[N@H+]3CCOc3ccccc3F)ncc2C1 ZINC000019018267 570954559 /nfs/dbraw/zinc/95/45/59/570954559.db2.gz PPUNWBVOETYBSS-FQEVSTJZSA-N 1 2 398.482 3.126 40 0 GGABLO COc1ccc(C[N@@H+]2CCCC[C@H]2c2ncc3c(n2)CCN(C(C)=O)C3)cc1 ZINC000019018280 570954579 /nfs/dbraw/zinc/95/45/79/570954579.db2.gz QMHSLXMILNBUGH-NRFANRHFSA-N 1 2 380.492 3.117 40 0 GGABLO COc1ccc(C[N@H+]2CCCC[C@H]2c2ncc3c(n2)CCN(C(C)=O)C3)cc1 ZINC000019018280 570954580 /nfs/dbraw/zinc/95/45/80/570954580.db2.gz QMHSLXMILNBUGH-NRFANRHFSA-N 1 2 380.492 3.117 40 0 GGABLO Cc1[nH+]c2cc(C)c(C)cc2n1CC(=O)N1CCC(Oc2cccnc2)CC1 ZINC000019125210 570957996 /nfs/dbraw/zinc/95/79/96/570957996.db2.gz BYLLNZADSCECJC-UHFFFAOYSA-N 1 2 378.476 3.427 40 0 GGABLO Cc1ccc(C(=O)Nc2ccccc2C[NH+]2CCOCC2)cc1-n1cccn1 ZINC000019214762 570961378 /nfs/dbraw/zinc/96/13/78/570961378.db2.gz HBZMNXDNPBJWKY-UHFFFAOYSA-N 1 2 376.460 3.265 40 0 GGABLO Cc1c(C[N@@H+]2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)c2ccc(C)cc2n1C ZINC000019221438 570963152 /nfs/dbraw/zinc/96/31/52/570963152.db2.gz BAZXRTSUVLKDQN-UHFFFAOYSA-N 1 2 399.498 3.499 40 0 GGABLO Cc1c(C[N@H+]2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)c2ccc(C)cc2n1C ZINC000019221438 570963154 /nfs/dbraw/zinc/96/31/54/570963154.db2.gz BAZXRTSUVLKDQN-UHFFFAOYSA-N 1 2 399.498 3.499 40 0 GGABLO Cc1nc(C)n([C@H](C)CC(=O)N2CCC[C@@H](c3[nH+]c(C)n4ccsc34)C2)n1 ZINC000019285646 570969661 /nfs/dbraw/zinc/96/96/61/570969661.db2.gz KEOIYNKAYKAOKW-MLGOLLRUSA-N 1 2 386.525 3.270 40 0 GGABLO Cn1ccnc1[C@H](O)c1cccc(F)c1N1CC[NH+](Cc2ccccc2F)CC1 ZINC000019291281 570972016 /nfs/dbraw/zinc/97/20/16/570972016.db2.gz SEZFZJVMOGOHSW-OAQYLSRUSA-N 1 2 398.457 3.102 40 0 GGABLO O[C@@H](C[NH+]1CCN(c2ccccc2Cl)CC1)c1ccc2c(c1)OCCCO2 ZINC000019349912 570979034 /nfs/dbraw/zinc/97/90/34/570979034.db2.gz YTHPUHJGROPJLO-IBGZPJMESA-N 1 2 388.895 3.357 40 0 GGABLO O=C(Cn1cc[nH+]c1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000019369483 570980530 /nfs/dbraw/zinc/98/05/30/570980530.db2.gz WFAOWGUWGLLRSS-UHFFFAOYSA-N 1 2 375.472 3.058 40 0 GGABLO O=C(C[N@H+]1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1)NCc1ccccc1 ZINC000019372660 570980907 /nfs/dbraw/zinc/98/09/07/570980907.db2.gz FNBYWAZJAOMCTC-KRWDZBQOSA-N 1 2 399.878 3.201 40 0 GGABLO O=C(C[N@@H+]1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1)NCc1ccccc1 ZINC000019372660 570980912 /nfs/dbraw/zinc/98/09/12/570980912.db2.gz FNBYWAZJAOMCTC-KRWDZBQOSA-N 1 2 399.878 3.201 40 0 GGABLO c1ccc(N2CCN(c3ncc(-c4ccncc4)c([C@H]4CCCO4)n3)CC2)[nH+]c1 ZINC000019402153 570982888 /nfs/dbraw/zinc/98/28/88/570982888.db2.gz GSRWKRKMYXQAIJ-LJQANCHMSA-N 1 2 388.475 3.112 40 0 GGABLO CC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCOC2(C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000661012575 570988335 /nfs/dbraw/zinc/98/83/35/570988335.db2.gz KXKMQQVGKABAGE-QANKJYHBSA-N 1 2 399.457 3.354 40 0 GGABLO CC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCOC2(C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000661012575 570988339 /nfs/dbraw/zinc/98/83/39/570988339.db2.gz KXKMQQVGKABAGE-QANKJYHBSA-N 1 2 399.457 3.354 40 0 GGABLO COc1ccc([C@H]2c3[nH]c[nH+]c3CCN2CC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000019459473 570988377 /nfs/dbraw/zinc/98/83/77/570988377.db2.gz KMGPEXRQLAIBBX-HJPURHCSSA-N 1 2 390.487 3.243 40 0 GGABLO CC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCOC2(C)C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000661012574 570988450 /nfs/dbraw/zinc/98/84/50/570988450.db2.gz KXKMQQVGKABAGE-OWQGQXMQSA-N 1 2 399.457 3.354 40 0 GGABLO CC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCOC2(C)C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000661012574 570988451 /nfs/dbraw/zinc/98/84/51/570988451.db2.gz KXKMQQVGKABAGE-OWQGQXMQSA-N 1 2 399.457 3.354 40 0 GGABLO CC[C@H](Oc1ccccc1F)C(=O)N1C[C@H](C[NH+]2CCOCC2)c2ccccc21 ZINC000019499343 570991547 /nfs/dbraw/zinc/99/15/47/570991547.db2.gz FJNCPXMMWCNABN-UWJYYQICSA-N 1 2 398.478 3.446 40 0 GGABLO CC[C@H](Oc1ccccc1F)C(=O)N1C[C@@H](C[NH+]2CCOCC2)c2ccccc21 ZINC000019499341 570991615 /nfs/dbraw/zinc/99/16/15/570991615.db2.gz FJNCPXMMWCNABN-UTKZUKDTSA-N 1 2 398.478 3.446 40 0 GGABLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000019500337 570992430 /nfs/dbraw/zinc/99/24/30/570992430.db2.gz QMTOYAFBRPZNCM-FCHUYYIVSA-N 1 2 384.495 3.379 40 0 GGABLO COc1cc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCCC4)ncc23)cc(OC)c1O ZINC000019549391 571000298 /nfs/dbraw/zinc/00/02/98/571000298.db2.gz QNYOZXRPPAWZCL-MAUKXSAKSA-N 1 2 396.491 3.061 40 0 GGABLO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCCC4)ncc23)cc(OC)c1O ZINC000019549391 571000300 /nfs/dbraw/zinc/00/03/00/571000300.db2.gz QNYOZXRPPAWZCL-MAUKXSAKSA-N 1 2 396.491 3.061 40 0 GGABLO COc1ccc(OC)c(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCCC4)ncc23)c1 ZINC000019551409 571000981 /nfs/dbraw/zinc/00/09/81/571000981.db2.gz CFGFBJIRPOTTLS-OXJNMPFZSA-N 1 2 380.492 3.356 40 0 GGABLO COc1ccc(OC)c(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCCC4)ncc23)c1 ZINC000019551409 571000984 /nfs/dbraw/zinc/00/09/84/571000984.db2.gz CFGFBJIRPOTTLS-OXJNMPFZSA-N 1 2 380.492 3.356 40 0 GGABLO Cc1nc2ccc(Cl)cn2c1C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000019554912 571002831 /nfs/dbraw/zinc/00/28/31/571002831.db2.gz DURBLOVIJIRNES-UHFFFAOYSA-N 1 2 384.867 3.381 40 0 GGABLO COc1cc2nc(C[N@H+](Cc3ccco3)C3CCCC3)[nH]c(=O)c2cc1OC ZINC000053140100 571003299 /nfs/dbraw/zinc/00/32/99/571003299.db2.gz GXLHYHNFPTXWQT-UHFFFAOYSA-N 1 2 383.448 3.478 40 0 GGABLO COc1cc2nc(C[N@@H+](Cc3ccco3)C3CCCC3)[nH]c(=O)c2cc1OC ZINC000053140100 571003301 /nfs/dbraw/zinc/00/33/01/571003301.db2.gz GXLHYHNFPTXWQT-UHFFFAOYSA-N 1 2 383.448 3.478 40 0 GGABLO Cc1noc2nc([C@H]3CCCN(C(=O)Cn4cc[nH+]c4)C3)cc(C(F)(F)F)c12 ZINC000019563984 571006624 /nfs/dbraw/zinc/00/66/24/571006624.db2.gz LMWWTFJOWXONJK-LBPRGKRZSA-N 1 2 393.369 3.153 40 0 GGABLO COc1cccc(OC)c1C[N@H+]1[C@@H]2CC[C@H]1Cc1nc(N3CCCC3)ncc12 ZINC000019566970 571008086 /nfs/dbraw/zinc/00/80/86/571008086.db2.gz GRWZXESJHCVILD-HNAYVOBHSA-N 1 2 380.492 3.356 40 0 GGABLO COc1cccc(OC)c1C[N@@H+]1[C@@H]2CC[C@H]1Cc1nc(N3CCCC3)ncc12 ZINC000019566970 571008089 /nfs/dbraw/zinc/00/80/89/571008089.db2.gz GRWZXESJHCVILD-HNAYVOBHSA-N 1 2 380.492 3.356 40 0 GGABLO Cc1nc2ccccc2n1Cc1cc(N[C@@H](C)C(=O)N2CCCCC2)nc(C)[nH+]1 ZINC000019655779 571023259 /nfs/dbraw/zinc/02/32/59/571023259.db2.gz DGDNBFJPBNMQHK-HNNXBMFYSA-N 1 2 392.507 3.304 40 0 GGABLO Cc1cc2[nH]c(CCNC(=O)Cn3c(=O)oc4ccc(Cl)cc43)[nH+]c2cc1C ZINC000019659929 571025597 /nfs/dbraw/zinc/02/55/97/571025597.db2.gz ABIYVYZCHAYDFW-UHFFFAOYSA-N 1 2 398.850 3.100 40 0 GGABLO CCN(CC)S(=O)(=O)N1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000012771880 571026153 /nfs/dbraw/zinc/02/61/53/571026153.db2.gz QVNVMPHOLCTEJL-UHFFFAOYSA-N 1 2 387.549 3.058 40 0 GGABLO CN(CCO)C(=O)c1sc2ccccc2c1[C@H]1C[N@H+](CC(C)(C)C)CCO1 ZINC000019696798 571029976 /nfs/dbraw/zinc/02/99/76/571029976.db2.gz IDAHSFZQRFXFMV-MRXNPFEDSA-N 1 2 390.549 3.385 40 0 GGABLO CN(CCO)C(=O)c1sc2ccccc2c1[C@H]1C[N@@H+](CC(C)(C)C)CCO1 ZINC000019696798 571029978 /nfs/dbraw/zinc/02/99/78/571029978.db2.gz IDAHSFZQRFXFMV-MRXNPFEDSA-N 1 2 390.549 3.385 40 0 GGABLO Cc1[nH+]c2ccccn2c1CC(=O)Nc1ccc([C@H]2CCc3nncn3C2)cc1 ZINC000019699095 571030990 /nfs/dbraw/zinc/03/09/90/571030990.db2.gz PWRRHMWWGDIPJX-KRWDZBQOSA-N 1 2 386.459 3.145 40 0 GGABLO Cc1ccc(C(C)(C)C(=O)N2CCc3nnc([C@H]4CCCC[N@H+]4C)n3CC2)cc1 ZINC000019706160 571031975 /nfs/dbraw/zinc/03/19/75/571031975.db2.gz BNEZKVLPQFWXGZ-LJQANCHMSA-N 1 2 395.551 3.106 40 0 GGABLO Cc1ccc(C(C)(C)C(=O)N2CCc3nnc([C@H]4CCCC[N@@H+]4C)n3CC2)cc1 ZINC000019706160 571031976 /nfs/dbraw/zinc/03/19/76/571031976.db2.gz BNEZKVLPQFWXGZ-LJQANCHMSA-N 1 2 395.551 3.106 40 0 GGABLO CNc1nc([C@H]2CCCC[N@@H+]2Cc2ccccc2)nc2c1CN(C(C)=O)CC2 ZINC000019711577 571035533 /nfs/dbraw/zinc/03/55/33/571035533.db2.gz WQKIGMQZVWVGAO-HXUWFJFHSA-N 1 2 379.508 3.150 40 0 GGABLO CNc1nc([C@H]2CCCC[N@H+]2Cc2ccccc2)nc2c1CN(C(C)=O)CC2 ZINC000019711577 571035536 /nfs/dbraw/zinc/03/55/36/571035536.db2.gz WQKIGMQZVWVGAO-HXUWFJFHSA-N 1 2 379.508 3.150 40 0 GGABLO CNc1nc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)nc2c1CN(C(C)=O)CC2 ZINC000019711576 571035697 /nfs/dbraw/zinc/03/56/97/571035697.db2.gz WQKIGMQZVWVGAO-FQEVSTJZSA-N 1 2 379.508 3.150 40 0 GGABLO CNc1nc([C@@H]2CCCC[N@H+]2Cc2ccccc2)nc2c1CN(C(C)=O)CC2 ZINC000019711576 571035700 /nfs/dbraw/zinc/03/57/00/571035700.db2.gz WQKIGMQZVWVGAO-FQEVSTJZSA-N 1 2 379.508 3.150 40 0 GGABLO COc1cccc([C@H]2c3ccccc3CC[N@H+]2CC(=O)Nc2cnn(C)c2)c1 ZINC000019715505 571037174 /nfs/dbraw/zinc/03/71/74/571037174.db2.gz YRUNGUQFTWPHQR-QFIPXVFZSA-N 1 2 376.460 3.015 40 0 GGABLO COc1cccc([C@H]2c3ccccc3CC[N@@H+]2CC(=O)Nc2cnn(C)c2)c1 ZINC000019715505 571037175 /nfs/dbraw/zinc/03/71/75/571037175.db2.gz YRUNGUQFTWPHQR-QFIPXVFZSA-N 1 2 376.460 3.015 40 0 GGABLO CC(C)CCN1[C@]2(CC[N@H+](Cc3nccs3)C2)c2ccccc2S1(=O)=O ZINC000096035961 571095870 /nfs/dbraw/zinc/09/58/70/571095870.db2.gz IVCRZRLKWKZUSR-IBGZPJMESA-N 1 2 391.562 3.295 40 0 GGABLO CC(C)CCN1[C@]2(CC[N@@H+](Cc3nccs3)C2)c2ccccc2S1(=O)=O ZINC000096035961 571095875 /nfs/dbraw/zinc/09/58/75/571095875.db2.gz IVCRZRLKWKZUSR-IBGZPJMESA-N 1 2 391.562 3.295 40 0 GGABLO CCOc1cc([C@@H]([NH3+])c2nc(COc3ccc(Cl)cc3)n[nH]2)ccc1OC ZINC000095534363 1410315686 /nfs/dbraw/zinc/31/56/86/1410315686.db2.gz MFSQOGFGWQTZRF-GOSISDBHSA-N 1 2 388.855 3.493 40 0 GGABLO Cc1ccc(O[C@@H](C)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(C)c1 ZINC000408678011 231093510 /nfs/dbraw/zinc/09/35/10/231093510.db2.gz DGQXPFTYAZETEV-SFHVURJKSA-N 1 2 396.487 3.144 40 0 GGABLO Cc1ccc(O[C@H](C)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1C ZINC000408681098 231094210 /nfs/dbraw/zinc/09/42/10/231094210.db2.gz OZDGERHOLKEVCV-GOSISDBHSA-N 1 2 396.487 3.144 40 0 GGABLO CCCn1c[nH+]c2c1CN(C(=O)c1ccc(C(F)(F)F)cc1)[C@H](C(=O)OC)C2 ZINC000015707015 291126128 /nfs/dbraw/zinc/12/61/28/291126128.db2.gz HJMWHXJTFJMHCK-HNNXBMFYSA-N 1 2 395.381 3.052 40 0 biogenic,in-vitro GGABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@@H]2C[N@H+](Cc3ccco3)C[C@H]21 ZINC000306144706 209108344 /nfs/dbraw/zinc/10/83/44/209108344.db2.gz ZMONMGIHPSKXKS-PKOBYXMFSA-N 1 2 384.432 3.236 40 0 GGABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@@H]2C[N@@H+](Cc3ccco3)C[C@H]21 ZINC000306144706 209108347 /nfs/dbraw/zinc/10/83/47/209108347.db2.gz ZMONMGIHPSKXKS-PKOBYXMFSA-N 1 2 384.432 3.236 40 0 GGABLO C[NH+]1CCN(C(=O)c2cc(Br)cc(Br)c2Cl)CC1 ZINC000041127307 206263280 /nfs/dbraw/zinc/26/32/80/206263280.db2.gz PJJXIQLLLWJZGD-UHFFFAOYSA-N 1 2 396.510 3.253 40 0 GGABLO CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2C[N@H+](Cc3ccccn3)CCN21 ZINC000253402851 206283409 /nfs/dbraw/zinc/28/34/09/206283409.db2.gz OXPLZBMXGYBJIU-FQEVSTJZSA-N 1 2 398.938 3.156 40 0 biogenic,in-vitro GGABLO CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2C[N@@H+](Cc3ccccn3)CCN21 ZINC000253402851 206283414 /nfs/dbraw/zinc/28/34/14/206283414.db2.gz OXPLZBMXGYBJIU-FQEVSTJZSA-N 1 2 398.938 3.156 40 0 biogenic,in-vitro GGABLO CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(Cc3ccccn3)CC[N@@H+]21 ZINC000253402851 206283419 /nfs/dbraw/zinc/28/34/19/206283419.db2.gz OXPLZBMXGYBJIU-FQEVSTJZSA-N 1 2 398.938 3.156 40 0 biogenic,in-vitro GGABLO CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(Cc3ccccn3)CC[N@H+]21 ZINC000253402851 206283423 /nfs/dbraw/zinc/28/34/23/206283423.db2.gz OXPLZBMXGYBJIU-FQEVSTJZSA-N 1 2 398.938 3.156 40 0 biogenic,in-vitro GGABLO CC1(C)CN(C(=O)c2ccccc2F)C[C@@H]2CN(Cc3ccc(F)cc3)CC[N@@H+]21 ZINC000253399036 206283544 /nfs/dbraw/zinc/28/35/44/206283544.db2.gz IAOJCFKSMPMZSC-IBGZPJMESA-N 1 2 399.485 3.386 40 0 biogenic,in-vitro GGABLO CC1(C)CN(C(=O)c2ccccc2F)C[C@@H]2CN(Cc3ccc(F)cc3)CC[N@H+]21 ZINC000253399036 206283548 /nfs/dbraw/zinc/28/35/48/206283548.db2.gz IAOJCFKSMPMZSC-IBGZPJMESA-N 1 2 399.485 3.386 40 0 biogenic,in-vitro GGABLO O=C(Cn1c(C[NH+]2CCCCC2)nc2ccccc2c1=O)Nc1ccccc1 ZINC000000920457 206332643 /nfs/dbraw/zinc/33/26/43/206332643.db2.gz SUGZEBUQVUAGMX-UHFFFAOYSA-N 1 2 376.460 3.021 40 0 GGABLO CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(C)c(C)c2[nH]c1=O)[NH+]1CCCC1 ZINC000000909126 206333458 /nfs/dbraw/zinc/33/34/58/206333458.db2.gz YPOYWZMSSFKMLF-IBGZPJMESA-N 1 2 394.523 3.462 40 0 GGABLO Cc1cccc(C[N@@H+]2CCO[C@H](c3nnn4cc(-c5cccnc5)ccc34)C2)n1 ZINC000306138885 209107000 /nfs/dbraw/zinc/10/70/00/209107000.db2.gz SKECXJSPTFENOO-NRFANRHFSA-N 1 2 386.459 3.068 40 0 GGABLO Cc1cccc(C[N@H+]2CCO[C@H](c3nnn4cc(-c5cccnc5)ccc34)C2)n1 ZINC000306138885 209107005 /nfs/dbraw/zinc/10/70/05/209107005.db2.gz SKECXJSPTFENOO-NRFANRHFSA-N 1 2 386.459 3.068 40 0 GGABLO CC(C)CN1c2ccccc2C2(CC[NH+](Cc3nccs3)CC2)S1(=O)=O ZINC000306139831 209106878 /nfs/dbraw/zinc/10/68/78/209106878.db2.gz UBURSZQENDRBBE-UHFFFAOYSA-N 1 2 391.562 3.440 40 0 GGABLO c1csc(C[N@@H+]2CCO[C@H](c3nnn4cc(-c5cccnc5)ccc34)C2)c1 ZINC000306141239 209105745 /nfs/dbraw/zinc/10/57/45/209105745.db2.gz VPEPALQEQYMWCE-IBGZPJMESA-N 1 2 377.473 3.426 40 0 GGABLO c1csc(C[N@H+]2CCO[C@H](c3nnn4cc(-c5cccnc5)ccc34)C2)c1 ZINC000306141239 209105749 /nfs/dbraw/zinc/10/57/49/209105749.db2.gz VPEPALQEQYMWCE-IBGZPJMESA-N 1 2 377.473 3.426 40 0 GGABLO Oc1cc(O)c(-c2noc3ccc(NCC[NH+]4CCOCC4)cc32)cc1Cl ZINC000014974449 207037456 /nfs/dbraw/zinc/03/74/56/207037456.db2.gz JLIRVZVVCCIAKG-UHFFFAOYSA-N 1 2 389.839 3.304 40 0 in-vivo GGABLO Fc1ccc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)c(F)c1 ZINC000018165368 207093708 /nfs/dbraw/zinc/09/37/08/207093708.db2.gz QYWSJISTUFTTCD-UHFFFAOYSA-N 1 2 377.460 3.284 40 0 GGABLO Cc1cc(Nc2cccc(C(=O)NCCSc3nccn3C)c2)nc(C)[nH+]1 ZINC000019117601 207102458 /nfs/dbraw/zinc/10/24/58/207102458.db2.gz KOONLWFNAQCMOS-UHFFFAOYSA-N 1 2 382.493 3.093 40 0 GGABLO COc1cc2c(cc1OC)[C@@H](c1cnc(C)nc1)[NH2+][C@@H](c1ccc(C)cn1)C2 ZINC000019216100 207107930 /nfs/dbraw/zinc/10/79/30/207107930.db2.gz LARHFZXZRBXGRB-DENIHFKCSA-N 1 2 376.460 3.482 40 0 GGABLO Cc1ccsc1C[N@@H+]1CCC[C@@H](C2=NS(=O)(=O)c3ccccc3N2)C1 ZINC000019238622 207111498 /nfs/dbraw/zinc/11/14/98/207111498.db2.gz OPUAVIKINMWSQQ-CQSZACIVSA-N 1 2 375.519 3.481 40 0 GGABLO Cc1ccsc1C[N@H+]1CCC[C@@H](C2=NS(=O)(=O)c3ccccc3N2)C1 ZINC000019238622 207111501 /nfs/dbraw/zinc/11/15/01/207111501.db2.gz OPUAVIKINMWSQQ-CQSZACIVSA-N 1 2 375.519 3.481 40 0 GGABLO Cc1csc2c1nc1n(c2=O)CC[N@@H+](Cc2c(C)nn(C(C)C)c2C)CC1 ZINC000019240295 207111640 /nfs/dbraw/zinc/11/16/40/207111640.db2.gz UFQXAXQSPHTLPT-UHFFFAOYSA-N 1 2 385.537 3.219 40 0 GGABLO Cc1csc2c1nc1n(c2=O)CC[N@H+](Cc2c(C)nn(C(C)C)c2C)CC1 ZINC000019240295 207111644 /nfs/dbraw/zinc/11/16/44/207111644.db2.gz UFQXAXQSPHTLPT-UHFFFAOYSA-N 1 2 385.537 3.219 40 0 GGABLO Cn1ccnc1[C@H](NC(=O)c1ccccc1Cn1cc[nH+]c1)c1ccc(F)cc1 ZINC000019291216 207112314 /nfs/dbraw/zinc/11/23/14/207112314.db2.gz QOHYWJQMUSIDCJ-HXUWFJFHSA-N 1 2 389.434 3.323 40 0 GGABLO Cn1ccnc1[C@H](O)c1ccccc1N1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000019291342 207112897 /nfs/dbraw/zinc/11/28/97/207112897.db2.gz DSZKKVCWKJPIIS-OAQYLSRUSA-N 1 2 398.457 3.102 40 0 GGABLO CSc1nnc([C@@H]2CCCN2C(=O)[C@H](C)n2c(C)[nH+]c3ccccc32)n1C ZINC000019286649 207113333 /nfs/dbraw/zinc/11/33/33/207113333.db2.gz MZRYRNJFSGJJQP-LRDDRELGSA-N 1 2 384.509 3.120 40 0 GGABLO Cc1nc(CN2CCN(C(=O)[C@@H](C)n3c(C)[nH+]c4ccccc43)CC2)cs1 ZINC000019286653 207113607 /nfs/dbraw/zinc/11/36/07/207113607.db2.gz RCBKKIQQMQKGDS-CQSZACIVSA-N 1 2 383.521 3.015 40 0 GGABLO COc1cccc(C[N@@H+]2CCN(C(=O)c3ccc4c(c3)nc(C)n4C)[C@@H](C)C2)c1 ZINC000019286526 207113844 /nfs/dbraw/zinc/11/38/44/207113844.db2.gz FEOUXTFRHPPUFK-INIZCTEOSA-N 1 2 392.503 3.237 40 0 GGABLO COc1cccc(C[N@H+]2CCN(C(=O)c3ccc4c(c3)nc(C)n4C)[C@@H](C)C2)c1 ZINC000019286526 207113849 /nfs/dbraw/zinc/11/38/49/207113849.db2.gz FEOUXTFRHPPUFK-INIZCTEOSA-N 1 2 392.503 3.237 40 0 GGABLO COc1cccc(-c2cnc(NCCCn3cc[nH+]c3)nc2-c2nccn2C)c1 ZINC000019291668 207115052 /nfs/dbraw/zinc/11/50/52/207115052.db2.gz NYDIWBMWCISSMX-UHFFFAOYSA-N 1 2 389.463 3.251 40 0 GGABLO O=c1[nH]c(-c2ccncc2)nc2c1CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC000019334424 207116180 /nfs/dbraw/zinc/11/61/80/207116180.db2.gz XIWHXZOKXDSVRB-UHFFFAOYSA-N 1 2 386.377 3.409 40 0 GGABLO O=c1[nH]c(-c2ccncc2)nc2c1CC[N@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC000019334424 207116185 /nfs/dbraw/zinc/11/61/85/207116185.db2.gz XIWHXZOKXDSVRB-UHFFFAOYSA-N 1 2 386.377 3.409 40 0 GGABLO COc1cccc(C[N@@H+]2CCN(C(=O)c3cnc(C(C)(C)C)nc3)[C@@H](C)C2)c1 ZINC000019497774 207125887 /nfs/dbraw/zinc/12/58/87/207125887.db2.gz WCAXNFNFITWIRD-INIZCTEOSA-N 1 2 382.508 3.129 40 0 GGABLO COc1cccc(C[N@H+]2CCN(C(=O)c3cnc(C(C)(C)C)nc3)[C@@H](C)C2)c1 ZINC000019497774 207125890 /nfs/dbraw/zinc/12/58/90/207125890.db2.gz WCAXNFNFITWIRD-INIZCTEOSA-N 1 2 382.508 3.129 40 0 GGABLO CCn1c(C[NH+]2CCC3(CC2)NC(=O)c2ccccc2O3)nc2ccccc21 ZINC000019524301 207128363 /nfs/dbraw/zinc/12/83/63/207128363.db2.gz ZMUQLCSESIAGIA-UHFFFAOYSA-N 1 2 376.460 3.171 40 0 GGABLO CCOc1cc(CCC(=O)N2CCC[C@@H](c3[nH+]c(C)n4ccsc34)C2)on1 ZINC000019532330 207130247 /nfs/dbraw/zinc/13/02/47/207130247.db2.gz JBPADNPWSLNPTI-CQSZACIVSA-N 1 2 388.493 3.430 40 0 GGABLO CC(C)[C@H](NC(=O)C[N@H+](C)Cc1cccnc1)c1ccc2c(c1)OCCCO2 ZINC000019445821 207122437 /nfs/dbraw/zinc/12/24/37/207122437.db2.gz KMTKFDXGPRHZAC-QFIPXVFZSA-N 1 2 383.492 3.188 40 0 GGABLO CC(C)[C@H](NC(=O)C[N@@H+](C)Cc1cccnc1)c1ccc2c(c1)OCCCO2 ZINC000019445821 207122441 /nfs/dbraw/zinc/12/24/41/207122441.db2.gz KMTKFDXGPRHZAC-QFIPXVFZSA-N 1 2 383.492 3.188 40 0 GGABLO COc1cccc(C[N@@H+]2CCO[C@@H](c3nc(-c4ccccc4)no3)C2)c1OC ZINC000019568016 207136744 /nfs/dbraw/zinc/13/67/44/207136744.db2.gz VWIBDCSLCUFXTG-GOSISDBHSA-N 1 2 381.432 3.327 40 0 GGABLO COc1cccc(C[N@H+]2CCO[C@@H](c3nc(-c4ccccc4)no3)C2)c1OC ZINC000019568016 207136749 /nfs/dbraw/zinc/13/67/49/207136749.db2.gz VWIBDCSLCUFXTG-GOSISDBHSA-N 1 2 381.432 3.327 40 0 GGABLO COc1cccc(C[N@@H+]2CCO[C@H](c3nc(-c4ccccc4)no3)C2)c1OC ZINC000019568019 207136941 /nfs/dbraw/zinc/13/69/41/207136941.db2.gz VWIBDCSLCUFXTG-SFHVURJKSA-N 1 2 381.432 3.327 40 0 GGABLO COc1cccc(C[N@H+]2CCO[C@H](c3nc(-c4ccccc4)no3)C2)c1OC ZINC000019568019 207136945 /nfs/dbraw/zinc/13/69/45/207136945.db2.gz VWIBDCSLCUFXTG-SFHVURJKSA-N 1 2 381.432 3.327 40 0 GGABLO COc1ccc2cnc(C3CC[NH+](CC(=O)c4ccnn4C)CC3)cc2c1C ZINC000019582781 207139339 /nfs/dbraw/zinc/13/93/39/207139339.db2.gz QKXWFXJZZVPGKW-UHFFFAOYSA-N 1 2 378.476 3.348 40 0 GGABLO Cc1noc(C)c1CC(=O)N1CCC[C@H](c2ccc(-c3ccc(N)[nH+]c3)cn2)C1 ZINC000019689317 207148133 /nfs/dbraw/zinc/14/81/33/207148133.db2.gz GOZYWSXVPZDZEJ-SFHVURJKSA-N 1 2 391.475 3.279 40 0 GGABLO Cc1[nH+]c2ccccn2c1CC(=O)Nc1ccc([C@@H]2CCc3nncn3C2)cc1 ZINC000019699094 207148295 /nfs/dbraw/zinc/14/82/95/207148295.db2.gz PWRRHMWWGDIPJX-QGZVFWFLSA-N 1 2 386.459 3.145 40 0 GGABLO C[N@H+](CC(=O)Nc1ccc2ncccc2c1)Cc1ccccc1N1CCOCC1 ZINC000019715557 207153657 /nfs/dbraw/zinc/15/36/57/207153657.db2.gz SULATYVVMYARAG-UHFFFAOYSA-N 1 2 390.487 3.142 40 0 GGABLO C[N@@H+](CC(=O)Nc1ccc2ncccc2c1)Cc1ccccc1N1CCOCC1 ZINC000019715557 207153662 /nfs/dbraw/zinc/15/36/62/207153662.db2.gz SULATYVVMYARAG-UHFFFAOYSA-N 1 2 390.487 3.142 40 0 GGABLO COc1cccc([C@@H]2c3ccccc3CC[N@H+]2CC(=O)Nc2cnn(C)c2)c1 ZINC000019715506 207153956 /nfs/dbraw/zinc/15/39/56/207153956.db2.gz YRUNGUQFTWPHQR-JOCHJYFZSA-N 1 2 376.460 3.015 40 0 GGABLO COc1cccc([C@@H]2c3ccccc3CC[N@@H+]2CC(=O)Nc2cnn(C)c2)c1 ZINC000019715506 207153960 /nfs/dbraw/zinc/15/39/60/207153960.db2.gz YRUNGUQFTWPHQR-JOCHJYFZSA-N 1 2 376.460 3.015 40 0 GGABLO CC(C)(C)[C@@H]1CCc2n[nH]c(C(=O)NC3CC[NH+](Cc4ccccn4)CC3)c2C1 ZINC000019718915 207156136 /nfs/dbraw/zinc/15/61/36/207156136.db2.gz BSGGUUHVZMIFCF-MRXNPFEDSA-N 1 2 395.551 3.350 40 0 GGABLO C[C@@H](Cn1c[nH+]cc1-c1cnc(N2CCOCC2)nc1)Oc1ccccc1Cl ZINC000019719321 207156321 /nfs/dbraw/zinc/15/63/21/207156321.db2.gz MLHXZYDKRDQCJA-HNNXBMFYSA-N 1 2 399.882 3.298 40 0 GGABLO COc1ccccc1CCCn1c[nH+]cc1-c1cnc(N2CCOCC2)s1 ZINC000019719538 207156413 /nfs/dbraw/zinc/15/64/13/207156413.db2.gz QSGRPMPWAWIDEB-UHFFFAOYSA-N 1 2 384.505 3.485 40 0 GGABLO Cc1nc(N2CCCC2)cc(CC2CCN(C(=O)Cc3ccccc3)CC2)[nH+]1 ZINC000019753936 207159482 /nfs/dbraw/zinc/15/94/82/207159482.db2.gz BTXWVBZVSDREBX-UHFFFAOYSA-N 1 2 378.520 3.409 40 0 GGABLO Cc1cccc(N2CCN(C(=O)c3cccc(C[NH+]4CCOCC4)c3)CC2)c1C ZINC000020037411 207175058 /nfs/dbraw/zinc/17/50/58/207175058.db2.gz WHUXDNFMKVIUPK-UHFFFAOYSA-N 1 2 393.531 3.098 40 0 GGABLO COc1ccccc1C[NH2+]C1(Cc2cc(COc3ccccc3)on2)COC1 ZINC000067898172 207191205 /nfs/dbraw/zinc/19/12/05/207191205.db2.gz DMKGOOUDXGMIJU-UHFFFAOYSA-N 1 2 380.444 3.364 40 0 biogenic,in-vitro GGABLO O=S(=O)(NCc1ccccc1-n1cc[nH+]c1)c1ccc(Br)cc1 ZINC000020450846 207193011 /nfs/dbraw/zinc/19/30/11/207193011.db2.gz MMHWWZXXVPLZND-UHFFFAOYSA-N 1 2 392.278 3.113 40 0 GGABLO COc1ccc(CCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1OC ZINC000020461917 207195853 /nfs/dbraw/zinc/19/58/53/207195853.db2.gz WBHYJXMEADDGEL-RMKNXTFCSA-N 1 2 394.515 3.494 40 0 GGABLO c1ccc2c(c1)nc1n2[C@H](c2cccnc2)NC2=[NH+]CN(C3CCCCC3)CN12 ZINC000020638670 207208565 /nfs/dbraw/zinc/20/85/65/207208565.db2.gz AXGIHCWGMUREOW-HXUWFJFHSA-N 1 2 387.491 3.307 40 0 GGABLO COc1cc2c(cc1OC)-c1c(OC)c(OC)c(C=O)c3c1[C@H](C2)[N@H+](C)CC3 ZINC000020518284 207200869 /nfs/dbraw/zinc/20/08/69/207200869.db2.gz CLSKRRFGIZCINS-INIZCTEOSA-N 1 2 383.444 3.286 40 0 GGABLO COc1cc2c(cc1OC)-c1c(OC)c(OC)c(C=O)c3c1[C@H](C2)[N@@H+](C)CC3 ZINC000020518284 207200874 /nfs/dbraw/zinc/20/08/74/207200874.db2.gz CLSKRRFGIZCINS-INIZCTEOSA-N 1 2 383.444 3.286 40 0 GGABLO O=C(c1ccc2c(c1)CCCC2)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020902268 207218894 /nfs/dbraw/zinc/21/88/94/207218894.db2.gz RNRZNDLMAIABJZ-UHFFFAOYSA-N 1 2 378.472 3.252 40 0 GGABLO O=C(Cc1c(F)cccc1Cl)NCc1ccccc1C[NH+]1CCOCC1 ZINC000021935023 207244004 /nfs/dbraw/zinc/24/40/04/207244004.db2.gz ACCVUADKWXDYDW-UHFFFAOYSA-N 1 2 376.859 3.170 40 0 GGABLO Cc1ccc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)c(C)c1 ZINC000022387912 207254150 /nfs/dbraw/zinc/25/41/50/207254150.db2.gz OQYKEBASOIMURP-UHFFFAOYSA-N 1 2 383.517 3.262 40 0 GGABLO CCOc1cccc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000022402141 207254224 /nfs/dbraw/zinc/25/42/24/207254224.db2.gz GXWHMKWWFRKHSN-UHFFFAOYSA-N 1 2 399.516 3.044 40 0 GGABLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000023330139 207273433 /nfs/dbraw/zinc/27/34/33/207273433.db2.gz MABCOZZEGFRPNG-RYRKJORJSA-N 1 2 393.553 3.134 40 0 GGABLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000023330139 207273436 /nfs/dbraw/zinc/27/34/36/207273436.db2.gz MABCOZZEGFRPNG-RYRKJORJSA-N 1 2 393.553 3.134 40 0 GGABLO O=C(CCc1nc2ccccc2s1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000024060961 207288112 /nfs/dbraw/zinc/28/81/12/207288112.db2.gz MQETZJYYGKCVBP-LJQANCHMSA-N 1 2 395.528 3.419 40 0 GGABLO O=C(COc1ccc(F)cc1Cl)NCc1ccccc1C[NH+]1CCOCC1 ZINC000024379583 207289937 /nfs/dbraw/zinc/28/99/37/207289937.db2.gz AQTWCTIEOCPPEO-UHFFFAOYSA-N 1 2 392.858 3.007 40 0 GGABLO COC(=O)C12C[C@H]3C[C@H](CC(NC(=O)c4ccc(Cn5cc[nH+]c5)cc4)(C3)C1)C2 ZINC000038680106 207314515 /nfs/dbraw/zinc/31/45/15/207314515.db2.gz IFVPAVVNSOTZBG-WVKNIADZSA-N 1 2 393.487 3.173 40 0 GGABLO Cc1cc(C(=O)C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)c(C)n1C1CC1 ZINC000027780828 207330642 /nfs/dbraw/zinc/33/06/42/207330642.db2.gz YLKRVIYZSZHATC-UHFFFAOYSA-N 1 2 385.430 3.013 40 0 GGABLO CC(C)(C)OC(=O)N1CCC(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000040023591 207335847 /nfs/dbraw/zinc/33/58/47/207335847.db2.gz UBAKETSJSVTNNY-UHFFFAOYSA-N 1 2 398.507 3.195 40 0 GGABLO CN1CC[NH+]([C@H](CNC(=O)CCCc2cccs2)c2cccs2)CC1 ZINC000040039574 207335967 /nfs/dbraw/zinc/33/59/67/207335967.db2.gz NFWZWFORJMGFPH-QGZVFWFLSA-N 1 2 377.579 3.237 40 0 GGABLO Nc1cc(-c2c[nH]nc2[C@@H]2CCCCN2C(=O)COc2ccccc2)cc[nH+]1 ZINC000072357480 208001021 /nfs/dbraw/zinc/00/10/21/208001021.db2.gz JDSKEEJIDWCPLT-SFHVURJKSA-N 1 2 377.448 3.187 40 0 GGABLO CCc1[nH+]ccn1-c1cncc([C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)n1 ZINC000072355365 208001151 /nfs/dbraw/zinc/00/11/51/208001151.db2.gz IECULNLGWYTXOM-QGZVFWFLSA-N 1 2 393.466 3.313 40 0 GGABLO Nc1cc(-c2c[nH]nc2[C@H]2CCCCN2C(=O)COc2ccccc2)cc[nH+]1 ZINC000072357479 208001300 /nfs/dbraw/zinc/00/13/00/208001300.db2.gz JDSKEEJIDWCPLT-GOSISDBHSA-N 1 2 377.448 3.187 40 0 GGABLO COc1cccc(Oc2nccnc2C2CC[NH+](Cc3nccn3C)CC2)c1 ZINC000072362787 208005053 /nfs/dbraw/zinc/00/50/53/208005053.db2.gz VUPHMYRLZFEJCQ-UHFFFAOYSA-N 1 2 379.464 3.391 40 0 GGABLO CNc1nc([C@@H]2CCCN(C(=O)CCC3CCCC3)C2)nc2c1C[N@H+](C)CC2 ZINC000072372174 208005125 /nfs/dbraw/zinc/00/51/25/208005125.db2.gz SMAQUFLQYSIHQB-QGZVFWFLSA-N 1 2 385.556 3.183 40 0 GGABLO CNc1nc([C@@H]2CCCN(C(=O)CCC3CCCC3)C2)nc2c1C[N@@H+](C)CC2 ZINC000072372174 208005132 /nfs/dbraw/zinc/00/51/32/208005132.db2.gz SMAQUFLQYSIHQB-QGZVFWFLSA-N 1 2 385.556 3.183 40 0 GGABLO COc1ccc(Oc2nccnc2C2CC[NH+](Cc3nccn3C)CC2)cc1 ZINC000072362779 208005735 /nfs/dbraw/zinc/00/57/35/208005735.db2.gz BIEGZKFOZBNFHS-UHFFFAOYSA-N 1 2 379.464 3.391 40 0 GGABLO COc1ccccc1Oc1cncc([C@H]2CCC[N@H+](Cc3nccn3C)C2)n1 ZINC000072362782 208005823 /nfs/dbraw/zinc/00/58/23/208005823.db2.gz SPBZNPSOEFILDE-INIZCTEOSA-N 1 2 379.464 3.391 40 0 GGABLO COc1ccccc1Oc1cncc([C@H]2CCC[N@@H+](Cc3nccn3C)C2)n1 ZINC000072362782 208005829 /nfs/dbraw/zinc/00/58/29/208005829.db2.gz SPBZNPSOEFILDE-INIZCTEOSA-N 1 2 379.464 3.391 40 0 GGABLO COc1cccc(Oc2cncc([C@@H]3CCC[N@H+](Cc4nccn4C)C3)n2)c1 ZINC000072362785 208005899 /nfs/dbraw/zinc/00/58/99/208005899.db2.gz FFWYUDDSSARVIK-MRXNPFEDSA-N 1 2 379.464 3.391 40 0 GGABLO COc1cccc(Oc2cncc([C@@H]3CCC[N@@H+](Cc4nccn4C)C3)n2)c1 ZINC000072362785 208005903 /nfs/dbraw/zinc/00/59/03/208005903.db2.gz FFWYUDDSSARVIK-MRXNPFEDSA-N 1 2 379.464 3.391 40 0 GGABLO O=C(C[N@@H+]1CCC[C@@H](c2cccc(Nc3ccccn3)n2)C1)Nc1nccs1 ZINC000072375963 208009607 /nfs/dbraw/zinc/00/96/07/208009607.db2.gz RMONIGWBODGUML-OAHLLOKOSA-N 1 2 394.504 3.495 40 0 GGABLO O=C(C[N@H+]1CCC[C@@H](c2cccc(Nc3ccccn3)n2)C1)Nc1nccs1 ZINC000072375963 208009614 /nfs/dbraw/zinc/00/96/14/208009614.db2.gz RMONIGWBODGUML-OAHLLOKOSA-N 1 2 394.504 3.495 40 0 GGABLO Cc1n[nH]cc1C(=O)N1CCC(c2cccc(-n3cc[nH+]c3C(C)C)n2)CC1 ZINC000072378567 208009765 /nfs/dbraw/zinc/00/97/65/208009765.db2.gz VDWPRFJYSRSBBC-UHFFFAOYSA-N 1 2 378.480 3.442 40 0 GGABLO Cc1n[nH]cc1C(=O)N1CCC[C@H](c2cccc(-n3cc[nH+]c3C(C)C)n2)C1 ZINC000072378998 208011585 /nfs/dbraw/zinc/01/15/85/208011585.db2.gz VRZBWQRRAQPSGV-INIZCTEOSA-N 1 2 378.480 3.442 40 0 GGABLO CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)n1 ZINC000072379235 208011651 /nfs/dbraw/zinc/01/16/51/208011651.db2.gz MWHDCCWTFSAMMO-MRXNPFEDSA-N 1 2 378.480 3.144 40 0 GGABLO Cc1cccc2[nH+]c(CNS(=O)(=O)c3cc4c(c(Cl)c3)O[C@H](C)C4)cn21 ZINC000084234376 208088398 /nfs/dbraw/zinc/08/83/98/208088398.db2.gz DFFYVSQPGKSTGF-GFCCVEGCSA-N 1 2 391.880 3.098 40 0 GGABLO C[C@@H](C(=O)N1CCc2ccccc21)[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000095950335 208242847 /nfs/dbraw/zinc/24/28/47/208242847.db2.gz GSKCAMDFDQFBQJ-KRWDZBQOSA-N 1 2 383.923 3.435 40 0 GGABLO C[C@@H](C(=O)N1CCc2ccccc21)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000095950335 208242854 /nfs/dbraw/zinc/24/28/54/208242854.db2.gz GSKCAMDFDQFBQJ-KRWDZBQOSA-N 1 2 383.923 3.435 40 0 GGABLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)NC(C)C)CC2 ZINC000096145008 208273229 /nfs/dbraw/zinc/27/32/29/208273229.db2.gz CBKAXQFIJRHBKH-UHFFFAOYSA-N 1 2 381.524 3.295 40 0 GGABLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)NC(C)C)CC2 ZINC000096145008 208273233 /nfs/dbraw/zinc/27/32/33/208273233.db2.gz CBKAXQFIJRHBKH-UHFFFAOYSA-N 1 2 381.524 3.295 40 0 GGABLO Cn1c[nH+]c2c1[C@H](C(=O)NCCc1cccc(F)c1)N(Cc1ccccc1)CC2 ZINC000096147170 208273819 /nfs/dbraw/zinc/27/38/19/208273819.db2.gz MZHDTGBPOSPJKY-JOCHJYFZSA-N 1 2 392.478 3.018 40 0 GGABLO COc1ccc(-c2cnc3n2CCNC32CC[NH+](Cc3nccs3)CC2)cc1 ZINC000096145053 208274752 /nfs/dbraw/zinc/27/47/52/208274752.db2.gz IPCGEWASPIUURV-UHFFFAOYSA-N 1 2 395.532 3.110 40 0 GGABLO Cc1nc(C[NH+]2CCC3(CC[C@@H]3NS(=O)(=O)c3ccccc3)CC2)cs1 ZINC000096051630 208255311 /nfs/dbraw/zinc/25/53/11/208255311.db2.gz UCEUZCWQPZBMNI-SFHVURJKSA-N 1 2 391.562 3.175 40 0 GGABLO CCOCCCNC(=O)[C@@H]1c2c([nH+]cn2C(C)C)CCN1Cc1ccccc1 ZINC000096037524 208255421 /nfs/dbraw/zinc/25/54/21/208255421.db2.gz UJEJVPRXALEBPS-NRFANRHFSA-N 1 2 384.524 3.106 40 0 GGABLO C[N@@H+]1CCn2c(-c3cccc(F)c3)cnc2C12CCN(C(=O)c1ccco1)CC2 ZINC000096036970 208256209 /nfs/dbraw/zinc/25/62/09/208256209.db2.gz ISMXGUUUAGTMIV-UHFFFAOYSA-N 1 2 394.450 3.359 40 0 GGABLO C[N@H+]1CCn2c(-c3cccc(F)c3)cnc2C12CCN(C(=O)c1ccco1)CC2 ZINC000096036970 208256214 /nfs/dbraw/zinc/25/62/14/208256214.db2.gz ISMXGUUUAGTMIV-UHFFFAOYSA-N 1 2 394.450 3.359 40 0 GGABLO C[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(Cc1nccs1)CC2 ZINC000096036981 208256537 /nfs/dbraw/zinc/25/65/37/208256537.db2.gz GXXYDNRERDEKEC-UHFFFAOYSA-N 1 2 379.533 3.443 40 0 GGABLO C[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(Cc1nccs1)CC2 ZINC000096036981 208256543 /nfs/dbraw/zinc/25/65/43/208256543.db2.gz GXXYDNRERDEKEC-UHFFFAOYSA-N 1 2 379.533 3.443 40 0 GGABLO O=C(NCc1ccco1)C1=NO[C@]2(CC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000096225874 208288822 /nfs/dbraw/zinc/28/88/22/208288822.db2.gz FYNFGJHZYGIACI-LJQANCHMSA-N 1 2 391.830 3.109 40 0 GGABLO O=C(NCc1ccco1)C1=NO[C@]2(CC[N@H+](Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000096225874 208288826 /nfs/dbraw/zinc/28/88/26/208288826.db2.gz FYNFGJHZYGIACI-LJQANCHMSA-N 1 2 391.830 3.109 40 0 GGABLO CCS(=O)(=O)N1CCC2(CCn3c(-c4cccc(Cl)c4)c[nH+]c32)CC1 ZINC000096243537 208292839 /nfs/dbraw/zinc/29/28/39/208292839.db2.gz KJJVIVBGSCHQKG-UHFFFAOYSA-N 1 2 379.913 3.291 40 0 GGABLO CCc1ccccc1NC(=O)N1CCCn2nnc(C[NH+]3CCCCC3)c2C1 ZINC000096259597 208295214 /nfs/dbraw/zinc/29/52/14/208295214.db2.gz DYSHFZUECZGHMC-UHFFFAOYSA-N 1 2 382.512 3.264 40 0 GGABLO C[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1cccnc1)CC2 ZINC000096263362 208298627 /nfs/dbraw/zinc/29/86/27/208298627.db2.gz APWGYLMIVBHKMQ-UHFFFAOYSA-N 1 2 387.487 3.022 40 0 GGABLO C[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1cccnc1)CC2 ZINC000096263362 208298634 /nfs/dbraw/zinc/29/86/34/208298634.db2.gz APWGYLMIVBHKMQ-UHFFFAOYSA-N 1 2 387.487 3.022 40 0 GGABLO CCCCNC(=O)C[NH+]1CCN([C@H](C)c2nc3ccccc3n2C(F)F)CC1 ZINC000096941532 208330983 /nfs/dbraw/zinc/33/09/83/208330983.db2.gz PSGBDOBVSCCIST-OAHLLOKOSA-N 1 2 393.482 3.026 40 0 GGABLO COc1ccccc1C[NH2+][C@@H](C)c1cc(=O)n2[nH]c(C3CCOCC3)cc2n1 ZINC000100769426 208381788 /nfs/dbraw/zinc/38/17/88/208381788.db2.gz ILHDFRORJXVMAG-AWEZNQCLSA-N 1 2 382.464 3.188 40 0 GGABLO COc1cccc(C[NH2+][C@@H](C)c2cc(=O)n3[nH]c(C4CCOCC4)cc3n2)c1 ZINC000100769424 208381891 /nfs/dbraw/zinc/38/18/91/208381891.db2.gz SYOCBZXYPYPGJE-AWEZNQCLSA-N 1 2 382.464 3.188 40 0 GGABLO C[NH+](C)c1ccc(N[C@H]2CC(=O)N(c3cccc(Br)c3)C2=O)cc1 ZINC000101104319 208387408 /nfs/dbraw/zinc/38/74/08/208387408.db2.gz PHGUZMOJYRXFSI-INIZCTEOSA-N 1 2 388.265 3.259 40 0 GGABLO CCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2c(nc4cc(C)[nH]n4c2=O)C3)cc1 ZINC000100219487 208373933 /nfs/dbraw/zinc/37/39/33/208373933.db2.gz QOLLNWGNKLNPDR-DLBZAZTESA-N 1 2 378.476 3.274 40 0 GGABLO CCOc1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2c(nc4cc(C)[nH]n4c2=O)C3)cc1 ZINC000100219487 208373938 /nfs/dbraw/zinc/37/39/38/208373938.db2.gz QOLLNWGNKLNPDR-DLBZAZTESA-N 1 2 378.476 3.274 40 0 GGABLO Cc1nc2c(n1C(C)C)C[N@H+](Cc1ccoc1)CC21CCN(C(=O)N(C)C)CC1 ZINC000306140327 209105704 /nfs/dbraw/zinc/10/57/04/209105704.db2.gz UPXXCHKXOMZKHO-UHFFFAOYSA-N 1 2 399.539 3.396 40 0 GGABLO Cc1nc2c(n1C(C)C)C[N@@H+](Cc1ccoc1)CC21CCN(C(=O)N(C)C)CC1 ZINC000306140327 209105707 /nfs/dbraw/zinc/10/57/07/209105707.db2.gz UPXXCHKXOMZKHO-UHFFFAOYSA-N 1 2 399.539 3.396 40 0 GGABLO Cc1[nH+]c2c(n1C(C)C)CN(Cc1ccoc1)CC21CCN(C(=O)N(C)C)CC1 ZINC000306140327 209105709 /nfs/dbraw/zinc/10/57/09/209105709.db2.gz UPXXCHKXOMZKHO-UHFFFAOYSA-N 1 2 399.539 3.396 40 0 GGABLO Cc1ncsc1C[N@@H+]1C[C@H]2c3cc(-c4cccnc4)ccc3S(=O)(=O)[C@H]2C1 ZINC000306136703 209104939 /nfs/dbraw/zinc/10/49/39/209104939.db2.gz QAUGLFPPCVRXNH-PXNSSMCTSA-N 1 2 397.525 3.269 40 0 GGABLO Cc1ncsc1C[N@H+]1C[C@H]2c3cc(-c4cccnc4)ccc3S(=O)(=O)[C@H]2C1 ZINC000306136703 209104943 /nfs/dbraw/zinc/10/49/43/209104943.db2.gz QAUGLFPPCVRXNH-PXNSSMCTSA-N 1 2 397.525 3.269 40 0 GGABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[NH+]3CCCC3)cc2c1 ZINC000000888857 208485594 /nfs/dbraw/zinc/48/55/94/208485594.db2.gz JTOACZYUGJPSLZ-LJQANCHMSA-N 1 2 378.480 3.123 40 0 GGABLO C[N@@H+]1Cc2nnc(-c3cccs3)n2C2(CCN(C(=O)c3cccs3)CC2)C1 ZINC000306135800 209104633 /nfs/dbraw/zinc/10/46/33/209104633.db2.gz PBHKCPANZPVNMX-UHFFFAOYSA-N 1 2 399.545 3.145 40 0 GGABLO C[N@H+]1Cc2nnc(-c3cccs3)n2C2(CCN(C(=O)c3cccs3)CC2)C1 ZINC000306135800 209104635 /nfs/dbraw/zinc/10/46/35/209104635.db2.gz PBHKCPANZPVNMX-UHFFFAOYSA-N 1 2 399.545 3.145 40 0 GGABLO CN1CC[N@H+](Cc2ccncc2)C[C@@H]1c1nnn2cc(-c3ccccc3)ccc12 ZINC000306135531 209104576 /nfs/dbraw/zinc/10/45/76/209104576.db2.gz OUDKPKUUDITSEX-JOCHJYFZSA-N 1 2 384.487 3.280 40 0 GGABLO CN1CC[N@@H+](Cc2ccncc2)C[C@@H]1c1nnn2cc(-c3ccccc3)ccc12 ZINC000306135531 209104578 /nfs/dbraw/zinc/10/45/78/209104578.db2.gz OUDKPKUUDITSEX-JOCHJYFZSA-N 1 2 384.487 3.280 40 0 GGABLO Cc1ncsc1C[N@H+]1C[C@@H]2c3cc(-c4cccnc4)ccc3S(=O)(=O)[C@@H]2C1 ZINC000306136705 209103905 /nfs/dbraw/zinc/10/39/05/209103905.db2.gz QAUGLFPPCVRXNH-YLJYHZDGSA-N 1 2 397.525 3.269 40 0 GGABLO Cc1ncsc1C[N@@H+]1C[C@@H]2c3cc(-c4cccnc4)ccc3S(=O)(=O)[C@@H]2C1 ZINC000306136705 209103901 /nfs/dbraw/zinc/10/39/01/209103901.db2.gz QAUGLFPPCVRXNH-YLJYHZDGSA-N 1 2 397.525 3.269 40 0 GGABLO Cc1cccc(C[N@H+]2C[C@H]3[C@H](C2)c2cc(-c4ccco4)ccc2S3(=O)=O)n1 ZINC000306132983 209102936 /nfs/dbraw/zinc/10/29/36/209102936.db2.gz LYDHDLUXHAMZRU-NQIIRXRSSA-N 1 2 380.469 3.405 40 0 GGABLO Cc1cccc(C[N@@H+]2C[C@H]3[C@H](C2)c2cc(-c4ccco4)ccc2S3(=O)=O)n1 ZINC000306132983 209102943 /nfs/dbraw/zinc/10/29/43/209102943.db2.gz LYDHDLUXHAMZRU-NQIIRXRSSA-N 1 2 380.469 3.405 40 0 GGABLO CN1CC[N@H+](Cc2cccnc2)C[C@H]1c1nnn2cc(-c3ccccc3)ccc12 ZINC000306133654 209101581 /nfs/dbraw/zinc/10/15/81/209101581.db2.gz MSJAUKZGTUZZMJ-QFIPXVFZSA-N 1 2 384.487 3.280 40 0 GGABLO CN1CC[N@@H+](Cc2cccnc2)C[C@H]1c1nnn2cc(-c3ccccc3)ccc12 ZINC000306133654 209101585 /nfs/dbraw/zinc/10/15/85/209101585.db2.gz MSJAUKZGTUZZMJ-QFIPXVFZSA-N 1 2 384.487 3.280 40 0 GGABLO Cc1ccc(-n2c(SCC[NH+]3CCOCC3)nnc2-c2cccnc2)cc1 ZINC000019904983 208806009 /nfs/dbraw/zinc/80/60/09/208806009.db2.gz FUIYKGOMKFICSN-UHFFFAOYSA-N 1 2 381.505 3.062 40 0 GGABLO O=C(NCc1ccccc1C[NH+]1CCOCC1)NCC1(c2ccccc2)CC1 ZINC000022427498 208841198 /nfs/dbraw/zinc/84/11/98/208841198.db2.gz WORXGGDWEQQOFC-UHFFFAOYSA-N 1 2 379.504 3.050 40 0 GGABLO CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000225698968 208969655 /nfs/dbraw/zinc/96/96/55/208969655.db2.gz YNWQYVSFPCUALO-OAQYLSRUSA-N 1 2 378.513 3.322 40 0 GGABLO Cc1nc(Cn2cc[nH+]c2[C@@H]2CN(C(=O)N(C)C)Cc3ccccc32)cs1 ZINC000306129432 209099324 /nfs/dbraw/zinc/09/93/24/209099324.db2.gz IDBUXUFQOBGVNY-GOSISDBHSA-N 1 2 381.505 3.325 40 0 GGABLO CCOc1c(Br)cc(C[NH2+][C@@H](C)c2nnc3n2CCC3)cc1OC ZINC000059260084 209000134 /nfs/dbraw/zinc/00/01/34/209000134.db2.gz NLYGGRMDVYGATR-NSHDSACASA-N 1 2 395.301 3.245 40 0 GGABLO CCc1[nH+]ccn1CC1CCN(C(=O)c2cc(-c3cccc(OC)c3)[nH]n2)CC1 ZINC000062129731 209003126 /nfs/dbraw/zinc/00/31/26/209003126.db2.gz NPCGSIONOVXVJR-UHFFFAOYSA-N 1 2 393.491 3.397 40 0 GGABLO CN1CC[N@H+](Cc2cccnc2)C[C@@H]1c1nnn2cc(-c3ccsc3)ccc12 ZINC000306125950 209097484 /nfs/dbraw/zinc/09/74/84/209097484.db2.gz DGRWIFFYUDJLPZ-HXUWFJFHSA-N 1 2 390.516 3.342 40 0 GGABLO CN1CC[N@@H+](Cc2cccnc2)C[C@@H]1c1nnn2cc(-c3ccsc3)ccc12 ZINC000306125950 209097486 /nfs/dbraw/zinc/09/74/86/209097486.db2.gz DGRWIFFYUDJLPZ-HXUWFJFHSA-N 1 2 390.516 3.342 40 0 GGABLO c1cc(C[N@@H+]2CCO[C@H](c3nnn4cc(-c5cccnc5)ccc34)C2)cs1 ZINC000306125986 209096665 /nfs/dbraw/zinc/09/66/65/209096665.db2.gz DIIPOOHMENNWNH-IBGZPJMESA-N 1 2 377.473 3.426 40 0 GGABLO c1cc(C[N@H+]2CCO[C@H](c3nnn4cc(-c5cccnc5)ccc34)C2)cs1 ZINC000306125986 209096671 /nfs/dbraw/zinc/09/66/71/209096671.db2.gz DIIPOOHMENNWNH-IBGZPJMESA-N 1 2 377.473 3.426 40 0 GGABLO COc1ccc([C@H](c2c(C)[nH]n(-c3ccccc3)c2=O)[NH+]2CCOCC2)cc1 ZINC000103670220 533202178 /nfs/dbraw/zinc/20/21/78/533202178.db2.gz RIOXAWAJNBGQHH-NHCUHLMSSA-N 1 2 379.460 3.107 40 0 GGABLO F[C@@H]1C[N@H+](Cc2cnc3ccccc3c2)C[C@@H]1OCc1nc2cccnc2[nH]1 ZINC000096112155 209009144 /nfs/dbraw/zinc/00/91/44/209009144.db2.gz GEIOMUYIOWOHMX-APWZRJJASA-N 1 2 377.423 3.245 40 0 biogenic,in-vitro GGABLO F[C@@H]1C[N@@H+](Cc2cnc3ccccc3c2)C[C@@H]1OCc1nc2cccnc2[nH]1 ZINC000096112155 209009147 /nfs/dbraw/zinc/00/91/47/209009147.db2.gz GEIOMUYIOWOHMX-APWZRJJASA-N 1 2 377.423 3.245 40 0 biogenic,in-vitro GGABLO Cc1c(C[N@@H+]2CCO[C@H](c3cccc(Cc4ccc(F)cc4)n3)C2)cnn1C ZINC000257219737 209057740 /nfs/dbraw/zinc/05/77/40/209057740.db2.gz DHYLMIYRZPEVOM-QFIPXVFZSA-N 1 2 380.467 3.427 40 0 GGABLO Cc1c(C[N@H+]2CCO[C@H](c3cccc(Cc4ccc(F)cc4)n3)C2)cnn1C ZINC000257219737 209057744 /nfs/dbraw/zinc/05/77/44/209057744.db2.gz DHYLMIYRZPEVOM-QFIPXVFZSA-N 1 2 380.467 3.427 40 0 GGABLO Cc1noc(C)c1-c1cc(C)nc([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)n1 ZINC000257224245 209058050 /nfs/dbraw/zinc/05/80/50/209058050.db2.gz FAXXMCJTWYLBJV-QGZVFWFLSA-N 1 2 380.452 3.007 40 0 GGABLO Cc1[nH+]cc(-c2cc(CC3CCN(C(=O)c4cncs4)CC3)ccn2)n1C ZINC000257214503 209058154 /nfs/dbraw/zinc/05/81/54/209058154.db2.gz CMFJLJOOKNFRDK-UHFFFAOYSA-N 1 2 381.505 3.342 40 0 GGABLO Cc1noc(C)c1-c1nc(C)cc([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)n1 ZINC000257258222 209061363 /nfs/dbraw/zinc/06/13/63/209061363.db2.gz KSWSRMCASDNJIP-GOSISDBHSA-N 1 2 394.479 3.397 40 0 GGABLO Cc1noc(C)c1-c1nc(C)cc([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)n1 ZINC000257258223 209061503 /nfs/dbraw/zinc/06/15/03/209061503.db2.gz KSWSRMCASDNJIP-SFHVURJKSA-N 1 2 394.479 3.397 40 0 GGABLO Cc1[nH+]cc(-c2cncc([C@@H]3CCCN(C(=O)c4ccccc4F)C3)n2)n1C ZINC000257272010 209064596 /nfs/dbraw/zinc/06/45/96/209064596.db2.gz NASNBOFXUVAPCM-OAHLLOKOSA-N 1 2 379.439 3.344 40 0 GGABLO COCCOc1ccc(C(=O)N2CCC[C@@H]2c2cccc(-n3cc[nH+]c3)n2)cc1 ZINC000257259423 209062347 /nfs/dbraw/zinc/06/23/47/209062347.db2.gz KYGZASTWTKIMOR-HXUWFJFHSA-N 1 2 392.459 3.270 40 0 GGABLO Cc1[nH+]cc(-c2cncc([C@H]3CCCN(C(=O)c4ccccc4F)C3)n2)n1C ZINC000257272009 209063310 /nfs/dbraw/zinc/06/33/10/209063310.db2.gz NASNBOFXUVAPCM-HNNXBMFYSA-N 1 2 379.439 3.344 40 0 GGABLO Fc1ccccc1OCCc1cc([C@@H]2C[N@H+](Cc3cccnc3)CCO2)[nH]n1 ZINC000257267404 209063525 /nfs/dbraw/zinc/06/35/25/209063525.db2.gz MHDVAVWQHDKENE-NRFANRHFSA-N 1 2 382.439 3.139 40 0 GGABLO Fc1ccccc1OCCc1cc([C@@H]2C[N@@H+](Cc3cccnc3)CCO2)[nH]n1 ZINC000257267404 209063529 /nfs/dbraw/zinc/06/35/29/209063529.db2.gz MHDVAVWQHDKENE-NRFANRHFSA-N 1 2 382.439 3.139 40 0 GGABLO Cc1cccc(C)c1NC(=O)C[NH+]1CCC(N2CCc3ccccc3C2=O)CC1 ZINC000257265395 209063892 /nfs/dbraw/zinc/06/38/92/209063892.db2.gz LYMPOMFLAHSQJP-UHFFFAOYSA-N 1 2 391.515 3.405 40 0 GGABLO CCn1cc(C(=O)Nc2nc(C[NH+]3CCCC3)cs2)c(=O)c2ccc(C)nc21 ZINC000010027572 221096960 /nfs/dbraw/zinc/09/69/60/221096960.db2.gz FUHWJPYFEWOEQF-UHFFFAOYSA-N 1 2 397.504 3.029 40 0 GGABLO Fc1ccccc1OCCc1cc([C@H]2C[N@H+](Cc3cccnc3)CCO2)[nH]n1 ZINC000257267405 209065022 /nfs/dbraw/zinc/06/50/22/209065022.db2.gz MHDVAVWQHDKENE-OAQYLSRUSA-N 1 2 382.439 3.139 40 0 GGABLO Fc1ccccc1OCCc1cc([C@H]2C[N@@H+](Cc3cccnc3)CCO2)[nH]n1 ZINC000257267405 209065025 /nfs/dbraw/zinc/06/50/25/209065025.db2.gz MHDVAVWQHDKENE-OAQYLSRUSA-N 1 2 382.439 3.139 40 0 GGABLO Cc1noc(C)c1-c1cccc(C[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)n1 ZINC000257282772 209065831 /nfs/dbraw/zinc/06/58/31/209065831.db2.gz OVFMGORMSKSTDQ-QGZVFWFLSA-N 1 2 379.464 3.031 40 0 GGABLO NC(=O)C[C@]1(COc2cccc(Cl)c2)C[N@H+](Cc2ccccc2F)CCO1 ZINC000257273831 209066046 /nfs/dbraw/zinc/06/60/46/209066046.db2.gz NIKSKHUPQBIXBS-HXUWFJFHSA-N 1 2 392.858 3.005 40 0 GGABLO NC(=O)C[C@]1(COc2cccc(Cl)c2)C[N@@H+](Cc2ccccc2F)CCO1 ZINC000257273831 209066049 /nfs/dbraw/zinc/06/60/49/209066049.db2.gz NIKSKHUPQBIXBS-HXUWFJFHSA-N 1 2 392.858 3.005 40 0 GGABLO Cc1[nH+]cc(-c2cncc(C[C@@H]3CCCN(C(=O)c4ccccc4F)C3)n2)n1C ZINC000257282057 209066249 /nfs/dbraw/zinc/06/62/49/209066249.db2.gz OSDYWWKKKCZEPI-INIZCTEOSA-N 1 2 393.466 3.420 40 0 GGABLO CCn1cc(C[N@@H+]2CCO[C@H](c3ccc(Nc4ccc(F)cn4)cn3)C2)cn1 ZINC000257285270 209068363 /nfs/dbraw/zinc/06/83/63/209068363.db2.gz PGJWWXYJTUAOLG-IBGZPJMESA-N 1 2 382.443 3.149 40 0 GGABLO CCn1cc(C[N@H+]2CCO[C@H](c3ccc(Nc4ccc(F)cn4)cn3)C2)cn1 ZINC000257285270 209068366 /nfs/dbraw/zinc/06/83/66/209068366.db2.gz PGJWWXYJTUAOLG-IBGZPJMESA-N 1 2 382.443 3.149 40 0 GGABLO c1cnc(Nc2cncc([C@H]3C[N@H+](Cc4cccc5ncccc45)CCO3)n2)nc1 ZINC000257294259 209068810 /nfs/dbraw/zinc/06/88/10/209068810.db2.gz QTGOKTNERRWRFS-HXUWFJFHSA-N 1 2 399.458 3.132 40 0 GGABLO c1cnc(Nc2cncc([C@H]3C[N@@H+](Cc4cccc5ncccc45)CCO3)n2)nc1 ZINC000257294259 209068815 /nfs/dbraw/zinc/06/88/15/209068815.db2.gz QTGOKTNERRWRFS-HXUWFJFHSA-N 1 2 399.458 3.132 40 0 GGABLO COc1ccccc1CNc1cc(-c2c[nH]nc2[C@@H]2CCN(C(C)=O)C2)cc[nH+]1 ZINC000257309746 209072101 /nfs/dbraw/zinc/07/21/01/209072101.db2.gz UCFVGBHZNGTDHZ-GOSISDBHSA-N 1 2 391.475 3.428 40 0 GGABLO O=C(Nc1ncccn1)[C@H]1CCCN(c2cc(-n3ccc4ccccc43)nc[nH+]2)C1 ZINC000096124062 136183934 /nfs/dbraw/zinc/18/39/34/136183934.db2.gz FAPCIKUQCOKPTA-KRWDZBQOSA-N 1 2 399.458 3.066 40 0 GGABLO CCc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCCN(c2cccc[nH+]2)C3)cc1 ZINC000096216778 136185258 /nfs/dbraw/zinc/18/52/58/136185258.db2.gz ZFOAHCRNXFNECJ-OAQYLSRUSA-N 1 2 385.533 3.325 40 0 GGABLO Cc1ccc(C[N@@H+]2CCc3nc(N4CCOCC4)nc(NC(C)C)c3C2)s1 ZINC000096254275 136185854 /nfs/dbraw/zinc/18/58/54/136185854.db2.gz CKAUPRBNPSYDSD-UHFFFAOYSA-N 1 2 387.553 3.062 40 0 GGABLO Cc1ccc(C[N@H+]2CCc3nc(N4CCOCC4)nc(NC(C)C)c3C2)s1 ZINC000096254275 136185855 /nfs/dbraw/zinc/18/58/55/136185855.db2.gz CKAUPRBNPSYDSD-UHFFFAOYSA-N 1 2 387.553 3.062 40 0 GGABLO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCN(c3ncnc4ccsc43)CC2)c1C ZINC000124354274 136192426 /nfs/dbraw/zinc/19/24/26/136192426.db2.gz ZEHYYPXBWVSGJZ-INIZCTEOSA-N 1 2 395.532 3.457 40 0 GGABLO O=C(COc1ccc2oc3c(c2c1)CCCC3)N1CCN(c2cccc[nH+]2)CC1 ZINC000007308989 136195364 /nfs/dbraw/zinc/19/53/64/136195364.db2.gz RPHZFGSKOUZLOK-UHFFFAOYSA-N 1 2 391.471 3.434 40 0 GGABLO Cc1cccc(N2CC[NH+]([C@H]3CC(=O)N(c4cccc(Cl)c4)C3=O)CC2)c1C ZINC000013039862 136200909 /nfs/dbraw/zinc/20/09/09/136200909.db2.gz AQHORTVBMITFBL-FQEVSTJZSA-N 1 2 397.906 3.411 40 0 GGABLO CC(C)(C)n1nnnc1[C@@H](c1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020139220 136202426 /nfs/dbraw/zinc/20/24/26/136202426.db2.gz DOMNLZNKLVREQG-HXUWFJFHSA-N 1 2 376.508 3.340 40 0 GGABLO O=C(NCCCN1CCCc2ccccc21)c1cccc(C[NH+]2CCOCC2)c1 ZINC000219249551 136204169 /nfs/dbraw/zinc/20/41/69/136204169.db2.gz VBDPIWRZELRMNE-UHFFFAOYSA-N 1 2 393.531 3.092 40 0 GGABLO CN(C)c1nc(N2CCCCC2)[nH+]cc1NC(=O)Nc1ccc(F)cc1F ZINC000224146319 136206247 /nfs/dbraw/zinc/20/62/47/136206247.db2.gz XLGPZKSSMMULNY-UHFFFAOYSA-N 1 2 376.411 3.455 40 0 GGABLO Cc1[nH+]cc(-c2cncc([C@H]3CCCN(C(=O)c4cc(F)cc(F)c4)C3)n2)n1C ZINC000257313857 209075345 /nfs/dbraw/zinc/07/53/45/209075345.db2.gz UUJWGJIRARPJNX-AWEZNQCLSA-N 1 2 397.429 3.484 40 0 GGABLO COc1ccc([C@@H](NC(=O)[C@H](OC)c2ccccc2)c2[nH+]ccn2C)cc1OC ZINC000072346350 222233663 /nfs/dbraw/zinc/23/36/63/222233663.db2.gz NHZZUZGVAZOGKU-WOJBJXKFSA-N 1 2 395.459 3.031 40 0 GGABLO Cc1nn(C)cc1C[N@H+]1CC=C(n2c(C)nc(=O)c3cc(Cl)ccc32)CC1 ZINC000072348326 222235484 /nfs/dbraw/zinc/23/54/84/222235484.db2.gz WQXQMYSVLZAFHN-UHFFFAOYSA-N 1 2 383.883 3.147 40 0 GGABLO Cc1nn(C)cc1C[N@@H+]1CC=C(n2c(C)nc(=O)c3cc(Cl)ccc32)CC1 ZINC000072348326 222235487 /nfs/dbraw/zinc/23/54/87/222235487.db2.gz WQXQMYSVLZAFHN-UHFFFAOYSA-N 1 2 383.883 3.147 40 0 GGABLO CCc1[nH+]ccn1-c1nccnc1[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000072350535 222237287 /nfs/dbraw/zinc/23/72/87/222237287.db2.gz JEWIJXTUWFEPPQ-MRXNPFEDSA-N 1 2 379.439 3.384 40 0 GGABLO O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H](c2nccnc2-n2cc[nH+]c2)C1 ZINC000072350672 222237750 /nfs/dbraw/zinc/23/77/50/222237750.db2.gz SZXCXVMXUYLZNO-MRXNPFEDSA-N 1 2 386.459 3.092 40 0 GGABLO CCc1[nH+]ccn1-c1nccnc1[C@@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC000072350595 222238090 /nfs/dbraw/zinc/23/80/90/222238090.db2.gz XRJWIAFGMWWQMJ-QGZVFWFLSA-N 1 2 391.475 3.010 40 0 GGABLO CC(C)c1[nH+]ccn1-c1nccnc1[C@@H]1CCCN(C(=O)Cc2ccncc2)C1 ZINC000072350640 222238126 /nfs/dbraw/zinc/23/81/26/222238126.db2.gz SLQFDHWTYKMVAZ-GOSISDBHSA-N 1 2 390.491 3.129 40 0 GGABLO O=C(CCCn1cnc2ccccc2c1=O)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000025176115 526472258 /nfs/dbraw/zinc/47/22/58/526472258.db2.gz ABOLXRRAFQDVCJ-UHFFFAOYSA-N 1 2 387.443 3.060 40 0 GGABLO COc1ccccc1N1CC[NH2+][C@H](Cc2ccccc2Br)C1=O ZINC000072390205 537072996 /nfs/dbraw/zinc/07/29/96/537072996.db2.gz YNPHEWZBILGPMO-OAHLLOKOSA-N 1 2 375.266 3.005 40 0 GGABLO O=C([O-])C[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1Cc1[nH]c2ccc(F)cc2[nH+]1 ZINC000514288917 560033626 /nfs/dbraw/zinc/03/36/26/560033626.db2.gz LJCRJVBGLBOGBY-GJZGRUSLSA-N 1 2 382.439 3.253 40 0 biogenic,in-vitro GGABLO O=C([O-])C[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1Cc1[nH]c2ccc(F)cc2[nH+]1 ZINC000514288917 560033628 /nfs/dbraw/zinc/03/36/28/560033628.db2.gz LJCRJVBGLBOGBY-GJZGRUSLSA-N 1 2 382.439 3.253 40 0 biogenic,in-vitro GGABLO CNc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc4c(c3)OCO4)n2)cn1 ZINC000035426143 560080618 /nfs/dbraw/zinc/08/06/18/560080618.db2.gz TZYSZHRGSWHLNO-HNNXBMFYSA-N 1 2 379.420 3.239 40 0 biogenic,in-vitro GGABLO CNc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc4c(c3)OCO4)n2)cn1 ZINC000035426143 560080620 /nfs/dbraw/zinc/08/06/20/560080620.db2.gz TZYSZHRGSWHLNO-HNNXBMFYSA-N 1 2 379.420 3.239 40 0 biogenic,in-vitro GGABLO c1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(-c4cncnc4)nc3)no2)nc1 ZINC000049155322 560083938 /nfs/dbraw/zinc/08/39/38/560083938.db2.gz ROJNSLUPWORAKC-IBGZPJMESA-N 1 2 385.431 3.321 40 0 biogenic,in-vitro GGABLO c1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3ccc(-c4cncnc4)nc3)no2)nc1 ZINC000049155322 560083940 /nfs/dbraw/zinc/08/39/40/560083940.db2.gz ROJNSLUPWORAKC-IBGZPJMESA-N 1 2 385.431 3.321 40 0 biogenic,in-vitro GGABLO Cc1ccc(NC(=O)N[C@H]2C[C@@H](c3nc(-c4ccccn4)no3)[N@H+](C)C2)cc1 ZINC000030879489 560090038 /nfs/dbraw/zinc/09/00/38/560090038.db2.gz SQMJBZPNAQUNGC-RDJZCZTQSA-N 1 2 378.436 3.007 40 0 biogenic,in-vitro GGABLO Cc1ccc(NC(=O)N[C@H]2C[C@@H](c3nc(-c4ccccn4)no3)[N@@H+](C)C2)cc1 ZINC000030879489 560090040 /nfs/dbraw/zinc/09/00/40/560090040.db2.gz SQMJBZPNAQUNGC-RDJZCZTQSA-N 1 2 378.436 3.007 40 0 biogenic,in-vitro GGABLO O=C(NCc1ccc(Cl)cc1)[C@@H]1Cc2[nH]c[nH+]c2CN1Cc1cccs1 ZINC000015676387 560094645 /nfs/dbraw/zinc/09/46/45/560094645.db2.gz BTXNHBJEHJZGQR-SFHVURJKSA-N 1 2 386.908 3.368 40 0 biogenic,in-vitro GGABLO Cc1cccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3Cc3ccc(CO)o3)n2)c1 ZINC000015675610 560095036 /nfs/dbraw/zinc/09/50/36/560095036.db2.gz OMZMTQDGGYKENB-IBGZPJMESA-N 1 2 391.431 3.153 40 0 biogenic,in-vitro GGABLO O=C(NCc1ccccc1)[C@@H]1Cc2[nH]c[nH+]c2CN1Cc1cc2ccccc2o1 ZINC000015676226 560095640 /nfs/dbraw/zinc/09/56/40/560095640.db2.gz JKPDYKYCYQMJPW-NRFANRHFSA-N 1 2 386.455 3.399 40 0 biogenic,in-vitro GGABLO O=C(NCc1ccccc1)[C@@H]1Cc2[nH+]c[nH]c2CN1Cc1cc2ccccc2o1 ZINC000015676226 560095641 /nfs/dbraw/zinc/09/56/41/560095641.db2.gz JKPDYKYCYQMJPW-NRFANRHFSA-N 1 2 386.455 3.399 40 0 biogenic,in-vitro GGABLO O[C@@H]1C[C@@H](c2nc(-c3ccc4c(c3)OCO4)no2)[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000015674966 560095776 /nfs/dbraw/zinc/09/57/76/560095776.db2.gz QYCAHNMNJYZOFW-CVEARBPZSA-N 1 2 399.834 3.427 40 0 biogenic,in-vitro GGABLO O[C@@H]1C[C@@H](c2nc(-c3ccc4c(c3)OCO4)no2)[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000015674966 560095777 /nfs/dbraw/zinc/09/57/77/560095777.db2.gz QYCAHNMNJYZOFW-CVEARBPZSA-N 1 2 399.834 3.427 40 0 biogenic,in-vitro GGABLO C[N@@H+]1C[C@@H](NC(=O)c2ccccn2)C[C@H]1c1nc(-c2ccc3ccccc3c2)no1 ZINC000012529898 560212968 /nfs/dbraw/zinc/21/29/68/560212968.db2.gz PTPPXFQMEOUVEN-ICSRJNTNSA-N 1 2 399.454 3.460 40 0 biogenic,in-vitro GGABLO C[N@H+]1C[C@@H](NC(=O)c2ccccn2)C[C@H]1c1nc(-c2ccc3ccccc3c2)no1 ZINC000012529898 560212970 /nfs/dbraw/zinc/21/29/70/560212970.db2.gz PTPPXFQMEOUVEN-ICSRJNTNSA-N 1 2 399.454 3.460 40 0 biogenic,in-vitro GGABLO O[C@@H]1C[C@@H](c2nc(-c3ccc(C(F)(F)F)cc3)no2)[N@H+](Cc2cccnc2)C1 ZINC000015674166 560230923 /nfs/dbraw/zinc/23/09/23/560230923.db2.gz XVKUFFFRLIXUBU-CVEARBPZSA-N 1 2 390.365 3.458 40 0 biogenic,in-vitro GGABLO O[C@@H]1C[C@@H](c2nc(-c3ccc(C(F)(F)F)cc3)no2)[N@@H+](Cc2cccnc2)C1 ZINC000015674166 560230924 /nfs/dbraw/zinc/23/09/24/560230924.db2.gz XVKUFFFRLIXUBU-CVEARBPZSA-N 1 2 390.365 3.458 40 0 biogenic,in-vitro GGABLO O=C(C[N@@H+]1CCc2ccccc2C1)Nc1ccc(I)cc1 ZINC000007782786 564240984 /nfs/dbraw/zinc/24/09/84/564240984.db2.gz BFHVZZSMOHJUID-UHFFFAOYSA-N 1 2 392.240 3.288 40 0 GGABLO O=C(C[N@H+]1CCc2ccccc2C1)Nc1ccc(I)cc1 ZINC000007782786 564240992 /nfs/dbraw/zinc/24/09/92/564240992.db2.gz BFHVZZSMOHJUID-UHFFFAOYSA-N 1 2 392.240 3.288 40 0 GGABLO O=C(C[NH+]1CCC(O)(c2ccccn2)CC1)Nc1cccc(Cl)c1Cl ZINC000012114376 564266067 /nfs/dbraw/zinc/26/60/67/564266067.db2.gz GSHGUTYYQACYDC-UHFFFAOYSA-N 1 2 380.275 3.311 40 0 GGABLO CC[NH+]1CCN(C(=O)[C@H](C)Sc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000014094296 564279314 /nfs/dbraw/zinc/27/93/14/564279314.db2.gz HUQRPNGQZUWSNQ-LBPRGKRZSA-N 1 2 380.901 3.035 40 0 GGABLO CCOc1ccc(C[NH+]2CCN(C(=O)c3cc(Br)c[nH]3)CC2)cc1 ZINC000021476362 564311220 /nfs/dbraw/zinc/31/12/20/564311220.db2.gz YGFDVNQKMSHOBA-UHFFFAOYSA-N 1 2 392.297 3.134 40 0 GGABLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(Br)c[nH]1)c1cccc(F)c1 ZINC000024016159 564327758 /nfs/dbraw/zinc/32/77/58/564327758.db2.gz AEPNJXZTFLMLMI-AWEZNQCLSA-N 1 2 377.217 3.169 40 0 GGABLO Cc1ccccc1C[NH+]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000025106751 564335920 /nfs/dbraw/zinc/33/59/20/564335920.db2.gz SCHZSZDEKQHVJJ-UHFFFAOYSA-N 1 2 382.888 3.294 40 0 GGABLO O=C(C[N@H+](C[C@H]1CCCO1)C[C@@H]1CCCO1)Nc1ccccc1Br ZINC000048375391 564538222 /nfs/dbraw/zinc/53/82/22/564538222.db2.gz WYGJIACOSWHHLB-GASCZTMLSA-N 1 2 397.313 3.048 40 0 GGABLO O=C(C[N@@H+](C[C@H]1CCCO1)C[C@@H]1CCCO1)Nc1ccccc1Br ZINC000048375391 564538226 /nfs/dbraw/zinc/53/82/26/564538226.db2.gz WYGJIACOSWHHLB-GASCZTMLSA-N 1 2 397.313 3.048 40 0 GGABLO Cc1nnc(C2CC[NH+](CC(=O)Nc3ccc(Br)cc3)CC2)s1 ZINC000077100655 564863254 /nfs/dbraw/zinc/86/32/54/564863254.db2.gz XYCISGSLAIHRTP-UHFFFAOYSA-N 1 2 395.326 3.427 40 0 GGABLO COc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000223853146 565910172 /nfs/dbraw/zinc/91/01/72/565910172.db2.gz VYDTXGWDQYXDCD-UHFFFAOYSA-N 1 2 377.853 3.013 40 0 GGABLO COc1ccc(Br)c([C@H](CO)[N@H+](C)Cc2ccc3c[nH]nc3c2)c1 ZINC000449467366 566566113 /nfs/dbraw/zinc/56/61/13/566566113.db2.gz APGLCBKSTKSYTJ-SFHVURJKSA-N 1 2 390.281 3.499 40 0 GGABLO COc1ccc(Br)c([C@H](CO)[N@@H+](C)Cc2ccc3c[nH]nc3c2)c1 ZINC000449467366 566566120 /nfs/dbraw/zinc/56/61/20/566566120.db2.gz APGLCBKSTKSYTJ-SFHVURJKSA-N 1 2 390.281 3.499 40 0 GGABLO Cc1cc(C)c(NC(=O)CNC(=O)C[N@@H+](C)Cc2ccc(Cl)cc2)c(C)c1 ZINC000012801227 570221410 /nfs/dbraw/zinc/22/14/10/570221410.db2.gz KKOHIKGMEMOTMV-UHFFFAOYSA-N 1 2 387.911 3.452 40 0 GGABLO Cc1cc(C)c(NC(=O)CNC(=O)C[N@H+](C)Cc2ccc(Cl)cc2)c(C)c1 ZINC000012801227 570221413 /nfs/dbraw/zinc/22/14/13/570221413.db2.gz KKOHIKGMEMOTMV-UHFFFAOYSA-N 1 2 387.911 3.452 40 0 GGABLO CC[N@H+](Cc1nnc2n1c1ccsc1c(=O)n2C)Cc1cccc(Cl)c1 ZINC000048355431 570244019 /nfs/dbraw/zinc/24/40/19/570244019.db2.gz IPNAXSIZMANDKF-UHFFFAOYSA-N 1 2 387.896 3.318 40 0 GGABLO CC[N@@H+](Cc1nnc2n1c1ccsc1c(=O)n2C)Cc1cccc(Cl)c1 ZINC000048355431 570244021 /nfs/dbraw/zinc/24/40/21/570244021.db2.gz IPNAXSIZMANDKF-UHFFFAOYSA-N 1 2 387.896 3.318 40 0 GGABLO Cc1cccc(Oc2ccc(NC(=O)C(=O)NCCCn3cc[nH+]c3)cc2)c1 ZINC000048598943 570253161 /nfs/dbraw/zinc/25/31/61/570253161.db2.gz MLYWZRBRPAHQBO-UHFFFAOYSA-N 1 2 378.432 3.129 40 0 GGABLO Cc1csc(Nc2cc([C@H]3CCN(C(=O)C=Cc4c[nH]c[nH+]4)C3)nc(C)n2)n1 ZINC000585291834 570260738 /nfs/dbraw/zinc/26/07/38/570260738.db2.gz TZMJZNGZRLAUBM-XGACYXMMSA-N 1 2 395.492 3.046 40 0 GGABLO COc1ccc(NC(=O)c2cn(-c3cc(N4CCC(C)CC4)[nH+]cn3)cn2)cc1 ZINC000049411228 570266467 /nfs/dbraw/zinc/26/64/67/570266467.db2.gz XDVUNPVXPXFMLQ-UHFFFAOYSA-N 1 2 392.463 3.160 40 0 GGABLO COc1cccc(C2(NC(=O)NC3CCN(c4cccc[nH+]4)CC3)CCC2)c1 ZINC000663681000 570275746 /nfs/dbraw/zinc/27/57/46/570275746.db2.gz KIERWTLMAOZHGM-UHFFFAOYSA-N 1 2 380.492 3.438 40 0 GGABLO c1ccc(CN2C[NH+]=C3N[C@H]([C@H]4CC=CCC4)n4c5ccccc5nc4N3C2)nc1 ZINC000020556136 570277618 /nfs/dbraw/zinc/27/76/18/570277618.db2.gz VTMALJMXYWGGNH-UWJYYQICSA-N 1 2 399.502 3.483 40 0 GGABLO CC(C)(CNC(=O)c1ccccc1OCc1ccc(F)cc1)[NH+]1CCOCC1 ZINC000012883263 570284360 /nfs/dbraw/zinc/28/43/60/570284360.db2.gz AQKLUKSRTOIUMA-UHFFFAOYSA-N 1 2 386.467 3.245 40 0 GGABLO O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000103513056 570295603 /nfs/dbraw/zinc/29/56/03/570295603.db2.gz LNFNIZFZHGGWDR-AKHDSKFASA-N 1 2 394.858 3.175 40 0 GGABLO O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000103513056 570295607 /nfs/dbraw/zinc/29/56/07/570295607.db2.gz LNFNIZFZHGGWDR-AKHDSKFASA-N 1 2 394.858 3.175 40 0 GGABLO O=C(c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000103532552 570295818 /nfs/dbraw/zinc/29/58/18/570295818.db2.gz GCROWAQCHLPUIQ-NCXUSEDFSA-N 1 2 394.858 3.175 40 0 GGABLO O=C(c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000103532552 570295819 /nfs/dbraw/zinc/29/58/19/570295819.db2.gz GCROWAQCHLPUIQ-NCXUSEDFSA-N 1 2 394.858 3.175 40 0 GGABLO O=C(COc1ccc(Cl)c2cccnc12)N1CC[NH+](Cc2ccccn2)CC1 ZINC000043272017 570298243 /nfs/dbraw/zinc/29/82/43/570298243.db2.gz YOWOAJVJWRKILL-UHFFFAOYSA-N 1 2 396.878 3.006 40 0 GGABLO CC[C@H](Oc1ccccc1C)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000216470685 570302144 /nfs/dbraw/zinc/30/21/44/570302144.db2.gz HIUKSSXCXJRLOI-IBGZPJMESA-N 1 2 396.487 3.226 40 0 GGABLO O=C(c1cc2c(c(Cl)c1)OCO2)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000023441839 570323982 /nfs/dbraw/zinc/32/39/82/570323982.db2.gz QGMOSOUXZCOPAK-UHFFFAOYSA-N 1 2 376.815 3.166 40 0 GGABLO COc1ccc(CC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1OC ZINC000023639505 570328935 /nfs/dbraw/zinc/32/89/35/570328935.db2.gz QMNUUZZGDSCIAK-UHFFFAOYSA-N 1 2 388.895 3.244 40 0 GGABLO Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000023754490 570332579 /nfs/dbraw/zinc/33/25/79/570332579.db2.gz VGJLHJLUZIODMO-UHFFFAOYSA-N 1 2 380.429 3.480 40 0 GGABLO O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000023935195 570339367 /nfs/dbraw/zinc/33/93/67/570339367.db2.gz BZPDWNORXWRWTP-UHFFFAOYSA-N 1 2 397.482 3.379 40 0 GGABLO COC(=O)c1c(NC(=O)/C=C/c2ccccc2OC)sc2c1CC[N@H+](C)C2 ZINC000408574707 570342287 /nfs/dbraw/zinc/34/22/87/570342287.db2.gz KIMDBECYQMKSPX-CMDGGOBGSA-N 1 2 386.473 3.183 40 0 GGABLO COC(=O)c1c(NC(=O)/C=C/c2ccccc2OC)sc2c1CC[N@@H+](C)C2 ZINC000408574707 570342289 /nfs/dbraw/zinc/34/22/89/570342289.db2.gz KIMDBECYQMKSPX-CMDGGOBGSA-N 1 2 386.473 3.183 40 0 GGABLO O=C(NCc1cn2ccccc2[nH+]1)C1CCN(c2nc3ccccc3o2)CC1 ZINC000010894459 570353844 /nfs/dbraw/zinc/35/38/44/570353844.db2.gz LUYVDQCUWOBXEU-UHFFFAOYSA-N 1 2 375.432 3.008 40 0 GGABLO C[N@@H+](Cc1c(F)cccc1Cl)C[C@H](O)COCc1ccc2c(c1)OCO2 ZINC000023408949 570361192 /nfs/dbraw/zinc/36/11/92/570361192.db2.gz ZUALAAALHYJOBV-AWEZNQCLSA-N 1 2 381.831 3.217 40 0 GGABLO C[N@H+](Cc1c(F)cccc1Cl)C[C@H](O)COCc1ccc2c(c1)OCO2 ZINC000023408949 570361194 /nfs/dbraw/zinc/36/11/94/570361194.db2.gz ZUALAAALHYJOBV-AWEZNQCLSA-N 1 2 381.831 3.217 40 0 GGABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[NH+]1CCN(c2ccccc2OC)CC1 ZINC000057669913 570367434 /nfs/dbraw/zinc/36/74/34/570367434.db2.gz YOPWWDUMMGJLCU-LJQANCHMSA-N 1 2 386.544 3.346 40 0 GGABLO CCc1[nH+]c2ccccc2n1CC(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000010556482 570367918 /nfs/dbraw/zinc/36/79/18/570367918.db2.gz ROZGPDISZMILFU-UHFFFAOYSA-N 1 2 390.487 3.020 40 0 GGABLO CC(C)[C@@H](c1nnnn1Cc1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057671545 570368765 /nfs/dbraw/zinc/36/87/65/570368765.db2.gz XGKYNEUMKMXBBW-IBGZPJMESA-N 1 2 382.537 3.302 40 0 GGABLO OC1CC[NH+]([C@H](c2nnnn2C2CCCC2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000057710716 570370480 /nfs/dbraw/zinc/37/04/80/570370480.db2.gz HWUBGIMYDHHRNI-KRWDZBQOSA-N 1 2 395.429 3.353 40 0 GGABLO CCOC(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)c(C)c1 ZINC000022913846 570379022 /nfs/dbraw/zinc/37/90/22/570379022.db2.gz ULFLMQDJRKJCLM-UHFFFAOYSA-N 1 2 382.460 3.256 40 0 GGABLO CCCOc1ccc(/C=C/C(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1OC ZINC000033237274 570403046 /nfs/dbraw/zinc/40/30/46/570403046.db2.gz BEAUQGSJBMUDFR-CSKARUKUSA-N 1 2 395.503 3.237 40 0 GGABLO CC1CC[NH+]([C@H](c2nnnn2Cc2ccc(F)cc2)c2ccc(O)cc2)CC1 ZINC000004847733 570411960 /nfs/dbraw/zinc/41/19/60/570411960.db2.gz YEKZGWLXIQIJDY-FQEVSTJZSA-N 1 2 381.455 3.387 40 0 GGABLO CCC(C)(C)n1nnnc1C[NH+]1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000004967691 570420081 /nfs/dbraw/zinc/42/00/81/570420081.db2.gz OBGYNJXQARHTDL-UHFFFAOYSA-N 1 2 397.445 3.321 40 0 GGABLO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@@H]3C(=O)c2ccccc2)cc1C ZINC000035851489 570434063 /nfs/dbraw/zinc/43/40/63/570434063.db2.gz ZHQNWZMABXGLTE-BQJUDKOJSA-N 1 2 388.467 3.139 40 0 GGABLO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@@H]3C(=O)c2ccccc2)cc1C ZINC000035851489 570434065 /nfs/dbraw/zinc/43/40/65/570434065.db2.gz ZHQNWZMABXGLTE-BQJUDKOJSA-N 1 2 388.467 3.139 40 0 GGABLO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000245267498 570435121 /nfs/dbraw/zinc/43/51/21/570435121.db2.gz MABCOZZEGFRPNG-JFIYKMOQSA-N 1 2 393.553 3.134 40 0 GGABLO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000245267498 570435125 /nfs/dbraw/zinc/43/51/25/570435125.db2.gz MABCOZZEGFRPNG-JFIYKMOQSA-N 1 2 393.553 3.134 40 0 GGABLO Cc1cc(O[C@@H](C)C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)ccc1C(C)C ZINC000044406330 570444351 /nfs/dbraw/zinc/44/43/51/570444351.db2.gz DTNBWTZHNNTIPE-SFHVURJKSA-N 1 2 397.519 3.434 40 0 GGABLO O=C(C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1)Nc1ccc2c(c1)OCO2 ZINC000035311357 570466643 /nfs/dbraw/zinc/46/66/43/570466643.db2.gz KEXSEWQQOKVMEW-UHFFFAOYSA-N 1 2 384.407 3.088 40 0 GGABLO O=S(=O)(c1cccc2cccnc21)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000006228205 570472672 /nfs/dbraw/zinc/47/26/72/570472672.db2.gz PYIILMHMOYVOEO-TWGQIWQCSA-N 1 2 393.512 3.255 40 0 GGABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[NH+]3CCCCC3)cc2c1 ZINC000000782382 570480246 /nfs/dbraw/zinc/48/02/46/570480246.db2.gz BLVZFXKTNOBJQC-IBGZPJMESA-N 1 2 394.523 3.462 40 0 GGABLO Cc1cc2cc([C@H](c3nnnn3C(C)(C)C)[NH+]3CCCCC3)c(=O)[nH]c2cc1C ZINC000000782529 570480325 /nfs/dbraw/zinc/48/03/25/570480325.db2.gz XAZKVNRAFICIAQ-LJQANCHMSA-N 1 2 394.523 3.462 40 0 GGABLO Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCn2cc[nH+]c2)c1 ZINC000224231537 570504856 /nfs/dbraw/zinc/50/48/56/570504856.db2.gz FCUGYIXHYUASRB-RGEXLXHISA-N 1 2 394.500 3.230 40 0 GGABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[NH+]3CCCC3)cc2c1 ZINC000000889879 570511419 /nfs/dbraw/zinc/51/14/19/570511419.db2.gz ACGJCFSLDJMKSJ-FQEVSTJZSA-N 1 2 392.507 3.432 40 0 GGABLO Cc1cc(C)c2cc([C@@H](c3nnnn3C3CCCC3)[NH+]3CCCC3)c(=O)[nH]c2c1 ZINC000000894455 570513161 /nfs/dbraw/zinc/51/31/61/570513161.db2.gz PQMKWCFWJFMMKS-FQEVSTJZSA-N 1 2 392.507 3.432 40 0 GGABLO O=C(c1ccccc1C(F)(F)F)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000028210990 570532885 /nfs/dbraw/zinc/53/28/85/570532885.db2.gz YANGOKNUFMTAIR-UHFFFAOYSA-N 1 2 392.377 3.392 40 0 GGABLO Cc1ccc2cc([C@@H](c3nnnn3C(C)(C)C)[NH+]3CCCC3)c(=O)[nH]c2c1C ZINC000008582815 570535028 /nfs/dbraw/zinc/53/50/28/570535028.db2.gz YSBXWTTZPLJLJH-SFHVURJKSA-N 1 2 380.496 3.072 40 0 GGABLO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)NCc2ccco2)cc1 ZINC000001346394 570572279 /nfs/dbraw/zinc/57/22/79/570572279.db2.gz VZOMPIPJKYZZRI-UHFFFAOYSA-N 1 2 379.445 3.125 40 0 GGABLO CCCOC1(C(=O)Nc2ccc(OCC[NH+]3CCOCC3)cc2)CCCCC1 ZINC000225657027 570598976 /nfs/dbraw/zinc/59/89/76/570598976.db2.gz SFZVHAWRTMZLSG-UHFFFAOYSA-N 1 2 390.524 3.466 40 0 GGABLO CCOC(=O)[C@]12CCC[C@H]1N(C(=O)c1ccc3[nH+]c(C)n(C)c3c1)CC=CC2 ZINC000012087587 570606671 /nfs/dbraw/zinc/60/66/71/570606671.db2.gz JCUUNACCGRUOAK-DENIHFKCSA-N 1 2 381.476 3.386 40 0 GGABLO CCOC1(C(=O)Nc2ccc(OCC[NH+]3CCOCC3)cc2)CCCCCC1 ZINC000225711213 570607009 /nfs/dbraw/zinc/60/70/09/570607009.db2.gz FSMATDNZDFVOMJ-UHFFFAOYSA-N 1 2 390.524 3.466 40 0 GGABLO CCO[C@]1(C(=O)Nc2ccc(OCC[NH+]3CCOCC3)cc2)CCC[C@H](C)C1 ZINC000225715023 570607888 /nfs/dbraw/zinc/60/78/88/570607888.db2.gz UZPJSEZDMXAUPL-PGRDOPGGSA-N 1 2 390.524 3.322 40 0 GGABLO CCO[C@@]1(C(=O)Nc2ccc(OCC[NH+]3CCOCC3)cc2)CCC[C@H](C)C1 ZINC000225714998 570607898 /nfs/dbraw/zinc/60/78/98/570607898.db2.gz UZPJSEZDMXAUPL-AVRDEDQJSA-N 1 2 390.524 3.322 40 0 GGABLO Cc1ccc2c(c1)C(=O)CC1(CC[NH+](CC(=O)NCc3ccccc3F)CC1)O2 ZINC000012113643 570609052 /nfs/dbraw/zinc/60/90/52/570609052.db2.gz SMUQJTCUXDUORY-UHFFFAOYSA-N 1 2 396.462 3.250 40 0 GGABLO COc1ccc([C@H](NC(=O)C2(c3ccccc3)CC2)c2[nH+]ccn2C)cc1OC ZINC000012114958 570610029 /nfs/dbraw/zinc/61/00/29/570610029.db2.gz ISQZCBWECIVQJW-FQEVSTJZSA-N 1 2 391.471 3.375 40 0 GGABLO Cn1c2ccccc2[nH+]c1N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000012116301 570611042 /nfs/dbraw/zinc/61/10/42/570611042.db2.gz PFLNCRVHQAJGGK-UHFFFAOYSA-N 1 2 378.432 3.157 40 0 GGABLO Cn1c2ccccc2[nH+]c1N1CCC(C(=O)NCCc2ccc(F)cc2)CC1 ZINC000012116330 570611102 /nfs/dbraw/zinc/61/11/02/570611102.db2.gz URDGXJJBOMFCDZ-UHFFFAOYSA-N 1 2 380.467 3.288 40 0 GGABLO Cc1cc(-c2cnc(C)nc2[C@@H]2CCC[N@H+](CC(=O)Nc3nccs3)C2)on1 ZINC000012118473 570612463 /nfs/dbraw/zinc/61/24/63/570612463.db2.gz VKMHKSPEHDVAFV-CQSZACIVSA-N 1 2 398.492 3.023 40 0 GGABLO Cc1cc(-c2cnc(C)nc2[C@@H]2CCC[N@@H+](CC(=O)Nc3nccs3)C2)on1 ZINC000012118473 570612470 /nfs/dbraw/zinc/61/24/70/570612470.db2.gz VKMHKSPEHDVAFV-CQSZACIVSA-N 1 2 398.492 3.023 40 0 GGABLO COc1ccc(-c2nnsc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000225763110 570614636 /nfs/dbraw/zinc/61/46/36/570614636.db2.gz YIZKIDHNLXFCSR-UHFFFAOYSA-N 1 2 394.500 3.172 40 0 GGABLO Cc1ccc(-c2nnsc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000225775543 570615797 /nfs/dbraw/zinc/61/57/97/570615797.db2.gz MLGDUSRNSMIMNO-UHFFFAOYSA-N 1 2 378.501 3.472 40 0 GGABLO O=C(c1cc(F)c(F)cc1Cl)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000033005199 570618623 /nfs/dbraw/zinc/61/86/23/570618623.db2.gz QOPQBZXHYPNHGZ-UHFFFAOYSA-N 1 2 394.805 3.305 40 0 GGABLO C=Cn1ncc(C[NH+]2CCC(c3ncc(Cl)cc3S(C)(=O)=O)CC2)c1C ZINC000012186972 570621427 /nfs/dbraw/zinc/62/14/27/570621427.db2.gz OSTDUCINJCYQII-UHFFFAOYSA-N 1 2 394.928 3.124 40 0 GGABLO Cc1noc(C)c1Cc1ccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)o1 ZINC000013641022 570623622 /nfs/dbraw/zinc/62/36/22/570623622.db2.gz ZNIQRDCBSMZDNX-UHFFFAOYSA-N 1 2 385.489 3.495 40 0 GGABLO CCc1c(C)nc2cc([C@H]3CC[N@H+](Cc4ccc(OC)cc4F)C3)[nH]n2c1=O ZINC000012255412 570631017 /nfs/dbraw/zinc/63/10/17/570631017.db2.gz GNNKHXUEUAOLPO-HNNXBMFYSA-N 1 2 384.455 3.443 40 0 GGABLO CCc1c(C)nc2cc([C@H]3CC[N@@H+](Cc4ccc(OC)cc4F)C3)[nH]n2c1=O ZINC000012255412 570631019 /nfs/dbraw/zinc/63/10/19/570631019.db2.gz GNNKHXUEUAOLPO-HNNXBMFYSA-N 1 2 384.455 3.443 40 0 GGABLO CCc1c(C)nc2cc([C@@H]3CC[N@H+](Cc4cc(OC)cc(OC)c4)C3)[nH]n2c1=O ZINC000012276362 570631938 /nfs/dbraw/zinc/63/19/38/570631938.db2.gz XXKYHEQWJNIQCO-MRXNPFEDSA-N 1 2 396.491 3.312 40 0 GGABLO CCc1c(C)nc2cc([C@@H]3CC[N@@H+](Cc4cc(OC)cc(OC)c4)C3)[nH]n2c1=O ZINC000012276362 570631939 /nfs/dbraw/zinc/63/19/39/570631939.db2.gz XXKYHEQWJNIQCO-MRXNPFEDSA-N 1 2 396.491 3.312 40 0 GGABLO CCOC(=O)C1(C[C@H]2CC(c3ccccc3C)=NO2)CC[NH+](CC(C)=O)CC1 ZINC000012275230 570631951 /nfs/dbraw/zinc/63/19/51/570631951.db2.gz UOQUORZAACVIOO-GOSISDBHSA-N 1 2 386.492 3.112 40 0 GGABLO CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000044880645 570637967 /nfs/dbraw/zinc/63/79/67/570637967.db2.gz MAWZKQNRQOKVDV-QGZVFWFLSA-N 1 2 395.503 3.299 40 0 GGABLO O=C(C[NH+]1CCC(NC(=O)c2cccc(F)c2)CC1)Nc1cccc(Cl)c1 ZINC000004909141 570647883 /nfs/dbraw/zinc/64/78/83/570647883.db2.gz DODHVLFQOCHXQN-UHFFFAOYSA-N 1 2 389.858 3.312 40 0 GGABLO Cc1cc(C)cc(NC(=O)C[NH+]2CCC(NC(=O)Cc3ccccc3)CC2)c1 ZINC000004908686 570647889 /nfs/dbraw/zinc/64/78/89/570647889.db2.gz LCOXCWGVKKIQAB-UHFFFAOYSA-N 1 2 379.504 3.065 40 0 GGABLO Cc1cc(C)cc(NC(=O)C[NH+]2CCC(NC(=O)c3cccc(F)c3)CC2)c1 ZINC000004908690 570647963 /nfs/dbraw/zinc/64/79/63/570647963.db2.gz OLNHGWFZLQNLLQ-UHFFFAOYSA-N 1 2 383.467 3.275 40 0 GGABLO CCOc1ccc(C(=O)C2CC[NH+](CC(=O)NCc3cccs3)CC2)cc1 ZINC000005016810 570657179 /nfs/dbraw/zinc/65/71/79/570657179.db2.gz CKCGETVWMQLAGV-UHFFFAOYSA-N 1 2 386.517 3.358 40 0 GGABLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)C1=Cc2ccccc2CC1)c1ccccc1 ZINC000014700578 570661956 /nfs/dbraw/zinc/66/19/56/570661956.db2.gz NHFTXOTZSSRDKJ-FQEVSTJZSA-N 1 2 379.485 3.416 40 0 GGABLO CC[N@H+](Cc1nnc2n1c1ccccc1c(=O)n2C)[C@@H](C)c1ccc(F)cc1 ZINC000053088212 570673952 /nfs/dbraw/zinc/67/39/52/570673952.db2.gz BLLKSLDZODSVEK-AWEZNQCLSA-N 1 2 379.439 3.303 40 0 GGABLO CC[N@@H+](Cc1nnc2n1c1ccccc1c(=O)n2C)[C@@H](C)c1ccc(F)cc1 ZINC000053088212 570673958 /nfs/dbraw/zinc/67/39/58/570673958.db2.gz BLLKSLDZODSVEK-AWEZNQCLSA-N 1 2 379.439 3.303 40 0 GGABLO CC[N@H+](Cc1nnc2n1c1ccccc1c(=O)n2C)[C@H](C)c1ccc(F)cc1 ZINC000053088213 570674059 /nfs/dbraw/zinc/67/40/59/570674059.db2.gz BLLKSLDZODSVEK-CQSZACIVSA-N 1 2 379.439 3.303 40 0 GGABLO CC[N@@H+](Cc1nnc2n1c1ccccc1c(=O)n2C)[C@H](C)c1ccc(F)cc1 ZINC000053088213 570674061 /nfs/dbraw/zinc/67/40/61/570674061.db2.gz BLLKSLDZODSVEK-CQSZACIVSA-N 1 2 379.439 3.303 40 0 GGABLO O=S(=O)(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)c1ccc2c(c1)OCCO2 ZINC000008708093 570681167 /nfs/dbraw/zinc/68/11/67/570681167.db2.gz HEOQMTADHAUGSH-UHFFFAOYSA-N 1 2 399.472 3.335 40 0 GGABLO COc1cc(C[N@H+](Cc2ccco2)CC2=COCCO2)cc(OC)c1OC ZINC000057810912 570703771 /nfs/dbraw/zinc/70/37/71/570703771.db2.gz ACQMFQFLIGCCSB-UHFFFAOYSA-N 1 2 375.421 3.196 40 0 GGABLO COc1cc(C[N@@H+](Cc2ccco2)CC2=COCCO2)cc(OC)c1OC ZINC000057810912 570703775 /nfs/dbraw/zinc/70/37/75/570703775.db2.gz ACQMFQFLIGCCSB-UHFFFAOYSA-N 1 2 375.421 3.196 40 0 GGABLO O=C(c1csc2c1CCCC2)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022989488 570745626 /nfs/dbraw/zinc/74/56/26/570745626.db2.gz IGWKTPBYYBJYAQ-UHFFFAOYSA-N 1 2 384.501 3.314 40 0 GGABLO Cc1[nH+]cc(-c2cncc(C[C@H]3CCCN(C(=O)Cc4cccs4)C3)n2)n1C ZINC000257226083 570763658 /nfs/dbraw/zinc/76/36/58/570763658.db2.gz FJBZYFDCELKFIM-MRXNPFEDSA-N 1 2 395.532 3.271 40 0 GGABLO Cc1[nH+]cc(-c2ccc(C[C@H]3CCCN(C(=O)c4cccnc4)C3)cn2)n1C ZINC000257228745 570764532 /nfs/dbraw/zinc/76/45/32/570764532.db2.gz FVAYAVFVBAFSON-GOSISDBHSA-N 1 2 375.476 3.280 40 0 GGABLO Nc1cc(-c2c[nH]nc2[C@H]2CCN(C(=O)c3cc4ccc(F)cc4[nH]3)C2)cc[nH+]1 ZINC000257240888 570768026 /nfs/dbraw/zinc/76/80/26/570768026.db2.gz HVOZORKIBYBBLG-AWEZNQCLSA-N 1 2 390.422 3.304 40 0 GGABLO CC[NH+]1CCN(c2nc(C)c3c(n2)C[C@@H](c2cc(F)cc(F)c2)CC3=O)CC1 ZINC000009287193 570774759 /nfs/dbraw/zinc/77/47/59/570774759.db2.gz ACWLRXWEGLRQEL-OAHLLOKOSA-N 1 2 386.446 3.118 40 0 GGABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(C)cc1 ZINC000261362088 570788113 /nfs/dbraw/zinc/78/81/13/570788113.db2.gz CBRMIJUDPFOPHS-HXUWFJFHSA-O 1 2 393.492 3.471 40 0 GGABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1cccs1 ZINC000261365256 570788520 /nfs/dbraw/zinc/78/85/20/570788520.db2.gz QYPQYJYLHFAZJB-KRWDZBQOSA-O 1 2 385.494 3.224 40 0 GGABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1ccccc1F ZINC000261364773 570788650 /nfs/dbraw/zinc/78/86/50/570788650.db2.gz NPRMIGZPLBVQRJ-IBGZPJMESA-O 1 2 397.455 3.301 40 0 GGABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccccc1F ZINC000261365066 570788689 /nfs/dbraw/zinc/78/86/89/570788689.db2.gz PSJRJRGSJBBVPD-IBGZPJMESA-O 1 2 397.455 3.301 40 0 GGABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccccc1F ZINC000261365067 570788741 /nfs/dbraw/zinc/78/87/41/570788741.db2.gz PSJRJRGSJBBVPD-LJQANCHMSA-O 1 2 397.455 3.301 40 0 GGABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1ccc(F)cc1 ZINC000261366006 570789094 /nfs/dbraw/zinc/78/90/94/570789094.db2.gz WWTRERPGZZRSHS-IBGZPJMESA-O 1 2 397.455 3.301 40 0 GGABLO COc1cc(Cl)c(C)cc1NC(=O)CN1CC[NH+](Cc2ccsc2)CC1 ZINC000022933303 570817134 /nfs/dbraw/zinc/81/71/34/570817134.db2.gz GBZGFLFBKQOGBJ-UHFFFAOYSA-N 1 2 393.940 3.475 40 0 GGABLO CCn1c2ccccc2[nH+]c1N1CCN(C(=S)NCCc2ccccc2)CC1 ZINC000013471237 570847895 /nfs/dbraw/zinc/84/78/95/570847895.db2.gz GBXSKDSBFPTQMT-UHFFFAOYSA-N 1 2 393.560 3.295 40 0 GGABLO CCc1[nH]c(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)c(C)c1C(=O)OC ZINC000032842318 570850518 /nfs/dbraw/zinc/85/05/18/570850518.db2.gz SXTOFALNIQXIHB-SFHVURJKSA-N 1 2 398.438 3.064 40 0 GGABLO COc1cc2cc(CN(C)c3ccc([NH+](C)C)cc3)c(=O)n(C)c2cc1OC ZINC000013564199 570852135 /nfs/dbraw/zinc/85/21/35/570852135.db2.gz NKYZAIQGFAHTAP-UHFFFAOYSA-N 1 2 381.476 3.258 40 0 GGABLO COc1ccc(NC(=O)C[C@@H]2[NH2+]CCc3c4cc(C)ccc4[nH]c3C2=O)cc1 ZINC000014162274 570878545 /nfs/dbraw/zinc/87/85/45/570878545.db2.gz JLUDFXKKBHWKKD-IBGZPJMESA-N 1 2 377.444 3.211 40 0 GGABLO O=C(CCCc1ccccc1)N1CCC[C@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000072355405 570881498 /nfs/dbraw/zinc/88/14/98/570881498.db2.gz LINGFABBFFAJKL-IBGZPJMESA-N 1 2 375.476 3.391 40 0 GGABLO O=C(CCn1ccc2ccccc21)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000032895835 570887627 /nfs/dbraw/zinc/88/76/27/570887627.db2.gz KTMFMRWAECFTOY-LJQANCHMSA-N 1 2 383.517 3.283 40 0 GGABLO C[C@@H]1CN(C(=O)C(O)(c2ccccc2)c2ccccc2)CCN1c1cccc[nH+]1 ZINC000004723019 570897302 /nfs/dbraw/zinc/89/73/02/570897302.db2.gz UFAJFMHSGHTVER-LJQANCHMSA-N 1 2 387.483 3.055 40 0 GGABLO CC(C)CNC(=O)CSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000016927354 570917798 /nfs/dbraw/zinc/91/77/98/570917798.db2.gz GIFGHRMBVSOMAC-ZDUSSCGKSA-N 1 2 395.960 3.408 40 0 GGABLO c1cnc2ccc([C@@H](c3nnnn3C3CCCC3)[NH+]3CCSCC3)cc2c1 ZINC000019346984 570925345 /nfs/dbraw/zinc/92/53/45/570925345.db2.gz LFTZSTJIDDZXHA-IBGZPJMESA-N 1 2 380.521 3.475 40 0 GGABLO COc1ccc(OC)c(CN2CC[NH+](Cc3cc(OC)ccc3OC)CC2)c1 ZINC000019551579 570927821 /nfs/dbraw/zinc/92/78/21/570927821.db2.gz UGHBOEGQVLGGPK-UHFFFAOYSA-N 1 2 386.492 3.039 40 0 GGABLO COc1cc(-c2c[nH+]c3n2CCN(C(=O)c2cccc(F)c2C)CC3)ccn1 ZINC000585111668 570942464 /nfs/dbraw/zinc/94/24/64/570942464.db2.gz ZRQFJBZTPNUAMJ-UHFFFAOYSA-N 1 2 380.423 3.100 40 0 GGABLO COc1ccc(-c2c[nH+]c3n2CCN(C(=O)c2ccc(F)cc2OC)CC3)cc1 ZINC000585111072 570944570 /nfs/dbraw/zinc/94/45/70/570944570.db2.gz CBXHVRJYVHYRJW-UHFFFAOYSA-N 1 2 395.434 3.405 40 0 GGABLO CCOc1ccc(C(=O)N2CCc3[nH+]cc(-c4ccnc(OC)c4)n3CC2)cc1 ZINC000585111120 570945226 /nfs/dbraw/zinc/94/52/26/570945226.db2.gz FGYBSDGTSSDDNI-UHFFFAOYSA-N 1 2 392.459 3.051 40 0 GGABLO CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCN(c2ccc(C=O)s2)CC1 ZINC000025665406 570948450 /nfs/dbraw/zinc/94/84/50/570948450.db2.gz GBCNOSDVAZAAJD-KRWDZBQOSA-N 1 2 388.533 3.246 40 0 GGABLO Cc1ccc(-c2nnc(CNC(=O)c3cccc(Cn4cc[nH+]c4)c3)o2)s1 ZINC000019217940 570962261 /nfs/dbraw/zinc/96/22/61/570962261.db2.gz FBGPTEXIMBCIOA-UHFFFAOYSA-N 1 2 379.445 3.281 40 0 GGABLO CCOc1ccc(C[N@H+](C)CC(=O)Nc2cc3c(cc2C(C)=O)OCO3)cc1 ZINC000007686792 571016236 /nfs/dbraw/zinc/01/62/36/571016236.db2.gz IHNDKYPGIPUXSX-UHFFFAOYSA-N 1 2 384.432 3.087 40 0 GGABLO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2cc3c(cc2C(C)=O)OCO3)cc1 ZINC000007686792 571016238 /nfs/dbraw/zinc/01/62/38/571016238.db2.gz IHNDKYPGIPUXSX-UHFFFAOYSA-N 1 2 384.432 3.087 40 0 GGABLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NC(=O)Nc2ccccc2)c(OC)c1 ZINC000007741915 571030557 /nfs/dbraw/zinc/03/05/57/571030557.db2.gz XCJCZTPTIPGPAR-SFHVURJKSA-N 1 2 383.448 3.189 40 0 GGABLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)NC(=O)Nc2ccccc2)c(OC)c1 ZINC000007741915 571030561 /nfs/dbraw/zinc/03/05/61/571030561.db2.gz XCJCZTPTIPGPAR-SFHVURJKSA-N 1 2 383.448 3.189 40 0 GGABLO Cc1ccc(C)c(NC(=O)CN(C)C(=O)C[N@H+](C)Cc2cccc(Cl)c2)c1 ZINC000012984813 1399071127 /nfs/dbraw/zinc/07/11/27/1399071127.db2.gz KVQMJVWVVFOCMK-UHFFFAOYSA-N 1 2 387.911 3.486 40 0 GGABLO Cc1ccc(C)c(NC(=O)CN(C)C(=O)C[N@@H+](C)Cc2cccc(Cl)c2)c1 ZINC000012984813 1399071133 /nfs/dbraw/zinc/07/11/33/1399071133.db2.gz KVQMJVWVVFOCMK-UHFFFAOYSA-N 1 2 387.911 3.486 40 0 GGABLO O=C(NCCCn1cc[nH+]c1)c1ccn(COc2cccc(Cl)c2Cl)n1 ZINC000027972626 1400113185 /nfs/dbraw/zinc/11/31/85/1400113185.db2.gz VGKHBDRCGIDHFF-UHFFFAOYSA-N 1 2 394.262 3.243 40 0 GGABLO Cc1cc(OCn2ccc(C(=O)NCCCn3cc[nH+]c3)n2)cc(C)c1Cl ZINC000027972859 1400113224 /nfs/dbraw/zinc/11/32/24/1400113224.db2.gz IEIDMOJYPGJXPW-UHFFFAOYSA-N 1 2 387.871 3.206 40 0 GGABLO COc1cccc(N2CC[NH+]([C@@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)c1 ZINC000057406523 1407609345 /nfs/dbraw/zinc/60/93/45/1407609345.db2.gz QNCIJLUKILAEEK-QZGUCNERSA-N 1 2 397.563 3.291 40 0 GGABLO O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000058161718 1407791526 /nfs/dbraw/zinc/79/15/26/1407791526.db2.gz OXGBPHCNMHQENP-UHFFFAOYSA-N 1 2 376.359 3.093 40 0 GGABLO O=C(c1ccc(-c2nc3ccccc3s2)o1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000069292111 1409606277 /nfs/dbraw/zinc/60/62/77/1409606277.db2.gz KZWIKUHZITWLSL-HNNXBMFYSA-N 1 2 397.500 3.493 40 0 GGABLO Cc1cc(C)n(CC[NH+]2CCN(C(=O)NCc3cccc4ccccc43)CC2)n1 ZINC000077190869 1409894136 /nfs/dbraw/zinc/89/41/36/1409894136.db2.gz BZOGSYPLMVJRIW-UHFFFAOYSA-N 1 2 391.519 3.181 40 0 GGABLO CCOc1cc([C@H]([NH3+])c2nc(COc3ccc(Cl)cc3)n[nH]2)ccc1OC ZINC000095534362 1410315295 /nfs/dbraw/zinc/31/52/95/1410315295.db2.gz MFSQOGFGWQTZRF-SFHVURJKSA-N 1 2 388.855 3.493 40 0 GGABLO COc1cc(C)c(C[N@@H+]2CCc3c(nc(-c4cnc(C)cn4)[nH]c3=O)C2)cc1C ZINC000019567384 210266534 /nfs/dbraw/zinc/26/65/34/210266534.db2.gz RDJSYWUJDLISNZ-UHFFFAOYSA-N 1 2 391.475 3.131 40 0 GGABLO COc1cc(C)c(C[N@H+]2CCc3c(nc(-c4cnc(C)cn4)[nH]c3=O)C2)cc1C ZINC000019567384 210266535 /nfs/dbraw/zinc/26/65/35/210266535.db2.gz RDJSYWUJDLISNZ-UHFFFAOYSA-N 1 2 391.475 3.131 40 0 GGABLO COc1ccc(OC)c2[nH]c(=O)c(CNc3ccc(Cn4cc[nH+]c4)cc3)cc12 ZINC000019552912 210261704 /nfs/dbraw/zinc/26/17/04/210261704.db2.gz PGSMQHDEWNFFKH-UHFFFAOYSA-N 1 2 390.443 3.402 40 0 GGABLO COc1cc2cc(CNc3ccccc3-n3cc[nH+]c3)c(=O)[nH]c2cc1OC ZINC000019550954 210261285 /nfs/dbraw/zinc/26/12/85/210261285.db2.gz UDFLFIYMTHSICS-UHFFFAOYSA-N 1 2 376.416 3.343 40 0 GGABLO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCCC4)ncc23)c(OC)c1 ZINC000019552177 210260546 /nfs/dbraw/zinc/26/05/46/210260546.db2.gz AHDLOTXDWBKNME-OXJNMPFZSA-N 1 2 380.492 3.356 40 0 GGABLO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCCC4)ncc23)c(OC)c1 ZINC000019552177 210260548 /nfs/dbraw/zinc/26/05/48/210260548.db2.gz AHDLOTXDWBKNME-OXJNMPFZSA-N 1 2 380.492 3.356 40 0 GGABLO CCOc1ccc(C[N@@H+]2CCc3nc([C@H]4CCCN(C(C)=O)C4)ncc3C2)cc1 ZINC000019533362 210258384 /nfs/dbraw/zinc/25/83/84/210258384.db2.gz GTZREDWHXCAHOI-IBGZPJMESA-N 1 2 394.519 3.160 40 0 GGABLO CCOc1ccc(C[N@H+]2CCc3nc([C@H]4CCCN(C(C)=O)C4)ncc3C2)cc1 ZINC000019533362 210258387 /nfs/dbraw/zinc/25/83/87/210258387.db2.gz GTZREDWHXCAHOI-IBGZPJMESA-N 1 2 394.519 3.160 40 0 GGABLO CCn1nc2c(c1C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(OC)c1)CCCC2 ZINC000019524103 210257057 /nfs/dbraw/zinc/25/70/57/210257057.db2.gz KZRBKJYIECVIPX-IBGZPJMESA-N 1 2 393.491 3.043 40 0 GGABLO CCn1cc(C[NH+]2CCN(C(=O)c3ccc4c(c3)ncn4C(C)C)CC2)c(C)n1 ZINC000019524577 210257137 /nfs/dbraw/zinc/25/71/37/210257137.db2.gz AKIFFLJUNVOFGX-UHFFFAOYSA-N 1 2 394.523 3.100 40 0 GGABLO CCc1nnc(NC(=O)C2CCN(c3[nH+]c4ccccc4n3CC)CC2)s1 ZINC000019523670 210256903 /nfs/dbraw/zinc/25/69/03/210256903.db2.gz NCIHLVQKCVJQOE-UHFFFAOYSA-N 1 2 384.509 3.325 40 0 GGABLO CCc1[nH+]c2ccccc2n1CC(=O)N[C@H](C)Cn1nnc2cc(C)c(C)cc21 ZINC000019523264 210256992 /nfs/dbraw/zinc/25/69/92/210256992.db2.gz RPOAGBBABLZMGE-MRXNPFEDSA-N 1 2 390.491 3.165 40 0 GGABLO CCn1nc2c(c1C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(OC)c1)CCCC2 ZINC000019524104 210256596 /nfs/dbraw/zinc/25/65/96/210256596.db2.gz KZRBKJYIECVIPX-LJQANCHMSA-N 1 2 393.491 3.043 40 0 GGABLO CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000019500338 210254236 /nfs/dbraw/zinc/25/42/36/210254236.db2.gz QMTOYAFBRPZNCM-FGZHOGPDSA-N 1 2 384.495 3.379 40 0 GGABLO CC[C@@H](Oc1ccccc1F)C(=O)N1C[C@@H](C[NH+]2CCOCC2)c2ccccc21 ZINC000019499340 210253057 /nfs/dbraw/zinc/25/30/57/210253057.db2.gz FJNCPXMMWCNABN-DYESRHJHSA-N 1 2 398.478 3.446 40 0 GGABLO COc1ccc(C[N@@H+]2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)cc1O ZINC000019453617 210250487 /nfs/dbraw/zinc/25/04/87/210250487.db2.gz JSASSYVWGXBGBV-UHFFFAOYSA-N 1 2 382.508 3.473 40 0 GGABLO COc1ccc(C[N@H+]2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)cc1O ZINC000019453617 210250495 /nfs/dbraw/zinc/25/04/95/210250495.db2.gz JSASSYVWGXBGBV-UHFFFAOYSA-N 1 2 382.508 3.473 40 0 GGABLO O[C@H](C[NH+]1CCN(c2ccccc2Cl)CC1)c1ccc2c(c1)OCCCO2 ZINC000019349914 210244128 /nfs/dbraw/zinc/24/41/28/210244128.db2.gz YTHPUHJGROPJLO-LJQANCHMSA-N 1 2 388.895 3.357 40 0 GGABLO O=S(=O)(c1cccnc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019369537 210243797 /nfs/dbraw/zinc/24/37/97/210243797.db2.gz GQHSWUPGGKJYKQ-UHFFFAOYSA-N 1 2 393.512 3.178 40 0 GGABLO Fc1cccc(-n2cccc2CN(CC[NH+]2CCOCC2)Cc2cccnc2)c1 ZINC000019294368 210239103 /nfs/dbraw/zinc/23/91/03/210239103.db2.gz KIFDKAIWTZXBGG-UHFFFAOYSA-N 1 2 394.494 3.346 40 0 GGABLO Cc1[nH+]c2ccccc2n1C[C@H](C)C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000019286752 210237937 /nfs/dbraw/zinc/23/79/37/210237937.db2.gz CZACIVPGRHOPBY-QWHCGFSZSA-N 1 2 378.432 3.339 40 0 GGABLO Cn1ccnc1[C@@H](O)c1cccc(F)c1N1CC[NH+](Cc2ccccc2F)CC1 ZINC000019291280 210237671 /nfs/dbraw/zinc/23/76/71/210237671.db2.gz SEZFZJVMOGOHSW-NRFANRHFSA-N 1 2 398.457 3.102 40 0 GGABLO Cc1nc(C)n([C@@H](C)CC(=O)N2CCC[C@H](c3[nH+]c(C)n4ccsc34)C2)n1 ZINC000019285647 210236327 /nfs/dbraw/zinc/23/63/27/210236327.db2.gz KEOIYNKAYKAOKW-LRDDRELGSA-N 1 2 386.525 3.270 40 0 GGABLO Cc1nc(C)n([C@H](C)CC(=O)N2CCC[C@H](c3[nH+]c(C)n4ccsc34)C2)n1 ZINC000019285648 210235937 /nfs/dbraw/zinc/23/59/37/210235937.db2.gz KEOIYNKAYKAOKW-WBMJQRKESA-N 1 2 386.525 3.270 40 0 GGABLO COc1c(C)cccc1C[N@@H+]1CCCC[C@@H]1c1ncc2c(n1)CCN(C(C)=O)C2 ZINC000019235987 210233800 /nfs/dbraw/zinc/23/38/00/210233800.db2.gz BCTFEHLOXSHJIC-OAQYLSRUSA-N 1 2 394.519 3.425 40 0 GGABLO COc1c(C)cccc1C[N@H+]1CCCC[C@@H]1c1ncc2c(n1)CCN(C(C)=O)C2 ZINC000019235987 210233804 /nfs/dbraw/zinc/23/38/04/210233804.db2.gz BCTFEHLOXSHJIC-OAQYLSRUSA-N 1 2 394.519 3.425 40 0 GGABLO COc1cccc(C[N@@H+]2CCN(C(=O)c3nc4cc(C)ccc4[nH]3)[C@H](C)C2)c1 ZINC000019219664 210230455 /nfs/dbraw/zinc/23/04/55/210230455.db2.gz WNGDTVJRSVSUJK-MRXNPFEDSA-N 1 2 378.476 3.226 40 0 GGABLO COc1cccc(C[N@H+]2CCN(C(=O)c3nc4cc(C)ccc4[nH]3)[C@H](C)C2)c1 ZINC000019219664 210230459 /nfs/dbraw/zinc/23/04/59/210230459.db2.gz WNGDTVJRSVSUJK-MRXNPFEDSA-N 1 2 378.476 3.226 40 0 GGABLO COc1cccc(C[N@@H+]2CCN(C(=O)c3nc4ccc(C)cc4[nH]3)[C@H](C)C2)c1 ZINC000019219664 210230460 /nfs/dbraw/zinc/23/04/60/210230460.db2.gz WNGDTVJRSVSUJK-MRXNPFEDSA-N 1 2 378.476 3.226 40 0 GGABLO COc1cccc(C[N@H+]2CCN(C(=O)c3nc4ccc(C)cc4[nH]3)[C@H](C)C2)c1 ZINC000019219664 210230464 /nfs/dbraw/zinc/23/04/64/210230464.db2.gz WNGDTVJRSVSUJK-MRXNPFEDSA-N 1 2 378.476 3.226 40 0 GGABLO Cc1[nH+]c2ccccc2n1[C@H](C)C(=O)Nc1cc2c(cc1C)n(C)c(=O)n2C ZINC000019125840 210227044 /nfs/dbraw/zinc/22/70/44/210227044.db2.gz YXTRJBIVMOZLAN-CYBMUJFWSA-N 1 2 377.448 3.043 40 0 GGABLO COc1ccc(-n2nnc(C(C)=O)c2NC[C@@H](c2ccccc2F)[NH+](C)C)cc1 ZINC000019023097 210223847 /nfs/dbraw/zinc/22/38/47/210223847.db2.gz QDSKHMPRTKSHDN-IBGZPJMESA-N 1 2 397.454 3.332 40 0 GGABLO COc1cccc(C[N@@H+]2CCc3nc([C@@H]4CCCCN4C(C)=O)ncc3C2)c1 ZINC000019017409 210222570 /nfs/dbraw/zinc/22/25/70/210222570.db2.gz HJQHJBQLWMTHGZ-NRFANRHFSA-N 1 2 380.492 3.117 40 0 GGABLO COc1cccc(C[N@H+]2CCc3nc([C@@H]4CCCCN4C(C)=O)ncc3C2)c1 ZINC000019017409 210222575 /nfs/dbraw/zinc/22/25/75/210222575.db2.gz HJQHJBQLWMTHGZ-NRFANRHFSA-N 1 2 380.492 3.117 40 0 GGABLO COc1ccc(C[N@@H+]2CCc3nc([C@@H]4CCCCN4C(C)=O)ncc3C2)cc1 ZINC000019017405 210222438 /nfs/dbraw/zinc/22/24/38/210222438.db2.gz HXMWOFQFNIFSJP-NRFANRHFSA-N 1 2 380.492 3.117 40 0 GGABLO COc1ccc(C[N@H+]2CCc3nc([C@@H]4CCCCN4C(C)=O)ncc3C2)cc1 ZINC000019017405 210222442 /nfs/dbraw/zinc/22/24/42/210222442.db2.gz HXMWOFQFNIFSJP-NRFANRHFSA-N 1 2 380.492 3.117 40 0 GGABLO CC(=O)N1CCC(c2ncc3c(n2)CC[N@@H+](Cc2cccc(Cl)c2)C3)CC1 ZINC000019016875 210222067 /nfs/dbraw/zinc/22/20/67/210222067.db2.gz QDZLMKGHSSUKMK-UHFFFAOYSA-N 1 2 384.911 3.414 40 0 GGABLO CC(=O)N1CCC(c2ncc3c(n2)CC[N@H+](Cc2cccc(Cl)c2)C3)CC1 ZINC000019016875 210222072 /nfs/dbraw/zinc/22/20/72/210222072.db2.gz QDZLMKGHSSUKMK-UHFFFAOYSA-N 1 2 384.911 3.414 40 0 GGABLO COc1cccc(C[N@@H+]2CCCC[C@@H]2c2ncc3c(n2)CCN(C(C)=O)C3)c1 ZINC000019018286 210221791 /nfs/dbraw/zinc/22/17/91/210221791.db2.gz KKEDRVQGBUINOF-OAQYLSRUSA-N 1 2 380.492 3.117 40 0 GGABLO COc1cccc(C[N@H+]2CCCC[C@@H]2c2ncc3c(n2)CCN(C(C)=O)C3)c1 ZINC000019018286 210221795 /nfs/dbraw/zinc/22/17/95/210221795.db2.gz KKEDRVQGBUINOF-OAQYLSRUSA-N 1 2 380.492 3.117 40 0 GGABLO CCOc1ccccc1NC(=S)NCc1ccccc1C[NH+]1CCOCC1 ZINC000018165370 210214657 /nfs/dbraw/zinc/21/46/57/210214657.db2.gz MWZGWUWDSWOXIT-UHFFFAOYSA-N 1 2 385.533 3.404 40 0 GGABLO Cc1cc(O)c(C(=O)Nc2cccc(Cl)c2)c(=O)n1CCCn1cc[nH+]c1 ZINC000016790282 210196029 /nfs/dbraw/zinc/19/60/29/210196029.db2.gz WQKLQXIOZJKMLF-UHFFFAOYSA-N 1 2 386.839 3.055 40 0 GGABLO O=C(c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000016038307 210183431 /nfs/dbraw/zinc/18/34/31/210183431.db2.gz LNFNIZFZHGGWDR-NCXUSEDFSA-N 1 2 394.858 3.175 40 0 GGABLO O=C(c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000016038307 210183438 /nfs/dbraw/zinc/18/34/38/210183438.db2.gz LNFNIZFZHGGWDR-NCXUSEDFSA-N 1 2 394.858 3.175 40 0 GGABLO O=C(c1ccc(Cl)cc1)N1CC[NH+](Cc2cc(=O)c3ccccc3[nH]2)CC1 ZINC000015865362 210176350 /nfs/dbraw/zinc/17/63/50/210176350.db2.gz NKODKVZKWULLFN-UHFFFAOYSA-N 1 2 381.863 3.140 40 0 GGABLO CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000015548676 210158522 /nfs/dbraw/zinc/15/85/22/210158522.db2.gz VLLXGMBEPAZYFW-MRXNPFEDSA-N 1 2 377.535 3.381 40 0 GGABLO CC(C)(C)NC(=O)NC(=O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000015548676 210158524 /nfs/dbraw/zinc/15/85/24/210158524.db2.gz VLLXGMBEPAZYFW-MRXNPFEDSA-N 1 2 377.535 3.381 40 0 GGABLO CCOc1ccc(C[N@H+](C)Cc2nc(N)nc(Nc3ccccc3OC)n2)cc1 ZINC000014920372 210131436 /nfs/dbraw/zinc/13/14/36/210131436.db2.gz TWJNBLNQSYAXIO-UHFFFAOYSA-N 1 2 394.479 3.237 40 0 GGABLO CCOc1ccc(C[N@@H+](C)Cc2nc(N)nc(Nc3ccccc3OC)n2)cc1 ZINC000014920372 210131448 /nfs/dbraw/zinc/13/14/48/210131448.db2.gz TWJNBLNQSYAXIO-UHFFFAOYSA-N 1 2 394.479 3.237 40 0 GGABLO O=C(NCCSCc1ccccc1F)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000013649328 210076139 /nfs/dbraw/zinc/07/61/39/210076139.db2.gz GKEMLDWOKLDGMU-UHFFFAOYSA-N 1 2 388.508 3.321 40 0 GGABLO Cc1nc(NC(=O)C[NH+]2CCC(Cc3ccccc3)CC2)nc2c1C(=O)CCC2 ZINC000013635921 210073558 /nfs/dbraw/zinc/07/35/58/210073558.db2.gz FFICHEMKZABXGE-UHFFFAOYSA-N 1 2 392.503 3.197 40 0 GGABLO O=c1cc(CO)oc([C@@H](Nc2cccc[nH+]2)c2ccc(C(F)(F)F)cc2)c1O ZINC000013058696 210049481 /nfs/dbraw/zinc/04/94/81/210049481.db2.gz BZHYQOIRXHNXLC-INIZCTEOSA-N 1 2 392.333 3.453 40 0 GGABLO C[C@H]1CC(=O)c2c(nc(N3CC[NH+](C)CC3)nc2Nc2ccc(Cl)cc2)C1 ZINC000009937654 209850010 /nfs/dbraw/zinc/85/00/10/209850010.db2.gz BGPHJYSUHVXHQH-CYBMUJFWSA-N 1 2 385.899 3.390 40 0 GGABLO COc1ccc(CCNC(=S)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000007985982 209755468 /nfs/dbraw/zinc/75/54/68/209755468.db2.gz GYZVRNYSWFFYNV-VMPITWQZSA-N 1 2 395.572 3.443 40 0 GGABLO COc1ccc(/N=c2\scc(-c3ccccc3)n2N2CC[NH+](C)CC2)cc1 ZINC000004477263 209489448 /nfs/dbraw/zinc/48/94/48/209489448.db2.gz BXGCXIHHIYKYKR-DQRAZIAOSA-N 1 2 380.517 3.341 40 0 GGABLO CCO[C@H]1O[C@@H]2c3cc4c(cc3CC[N@@H+](C)[C@@H]2c2ccc3c(c21)OCO3)OCO4 ZINC000079669833 209224640 /nfs/dbraw/zinc/22/46/40/209224640.db2.gz RKBDCPZCGRWNMP-SJBKTWHCSA-N 1 2 397.427 3.480 40 0 GGABLO CCO[C@H]1O[C@@H]2c3cc4c(cc3CC[N@H+](C)[C@@H]2c2ccc3c(c21)OCO3)OCO4 ZINC000079669833 209224642 /nfs/dbraw/zinc/22/46/42/209224642.db2.gz RKBDCPZCGRWNMP-SJBKTWHCSA-N 1 2 397.427 3.480 40 0 GGABLO Cc1cc(C(=O)N2Cc3ccccc3[C@H](c3[nH+]ccn3Cc3cccnc3)C2)no1 ZINC000306144908 212056608 /nfs/dbraw/zinc/05/66/08/212056608.db2.gz ZRXWWMOQFGMUOW-HXUWFJFHSA-N 1 2 399.454 3.411 40 0 GGABLO COc1ncccc1C[N@@H+]1C[C@@H]2[C@@H](C1)N(Cc1cccs1)C(=O)c1cccn12 ZINC000306143921 212055331 /nfs/dbraw/zinc/05/53/31/212055331.db2.gz YQQUCYRDKSEMCT-RTBURBONSA-N 1 2 394.500 3.035 40 0 GGABLO COc1ncccc1C[N@H+]1C[C@@H]2[C@@H](C1)N(Cc1cccs1)C(=O)c1cccn12 ZINC000306143921 212055334 /nfs/dbraw/zinc/05/53/34/212055334.db2.gz YQQUCYRDKSEMCT-RTBURBONSA-N 1 2 394.500 3.035 40 0 GGABLO Cc1ncsc1C[N@H+]1C[C@H]2[C@H](C1)c1cc(-c3ccoc3)ccc1S2(=O)=O ZINC000306142404 212055094 /nfs/dbraw/zinc/05/50/94/212055094.db2.gz WYUCDHOZYMRPFI-APWZRJJASA-N 1 2 386.498 3.467 40 0 GGABLO Cc1ncsc1C[N@@H+]1C[C@H]2[C@H](C1)c1cc(-c3ccoc3)ccc1S2(=O)=O ZINC000306142404 212055096 /nfs/dbraw/zinc/05/50/96/212055096.db2.gz WYUCDHOZYMRPFI-APWZRJJASA-N 1 2 386.498 3.467 40 0 GGABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]21 ZINC000306143863 212054924 /nfs/dbraw/zinc/05/49/24/212054924.db2.gz YOSOZVIOFYTAKD-ICSRJNTNSA-N 1 2 395.459 3.038 40 0 GGABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]21 ZINC000306143863 212054921 /nfs/dbraw/zinc/05/49/21/212054921.db2.gz YOSOZVIOFYTAKD-ICSRJNTNSA-N 1 2 395.459 3.038 40 0 GGABLO O=C(c1cc2ccccc2s1)N1C[C@H]2OC[C@H](CNc3cccc[nH+]3)[C@H]2C1 ZINC000306141839 212054413 /nfs/dbraw/zinc/05/44/13/212054413.db2.gz WHUVKTOQUTWBID-GVDBMIGSSA-N 1 2 379.485 3.495 40 0 GGABLO COCCN1CCC[C@]2(C[N@H+](Cc3ccc4c(c3)CCC4)CC(F)(F)C2)C1=O ZINC000306144114 212054577 /nfs/dbraw/zinc/05/45/77/212054577.db2.gz YWJLEHRFSUKULR-NRFANRHFSA-N 1 2 392.490 3.272 40 0 GGABLO COCCN1CCC[C@]2(C[N@@H+](Cc3ccc4c(c3)CCC4)CC(F)(F)C2)C1=O ZINC000306144114 212054580 /nfs/dbraw/zinc/05/45/80/212054580.db2.gz YWJLEHRFSUKULR-NRFANRHFSA-N 1 2 392.490 3.272 40 0 GGABLO Fc1cccc(-c2cnc3c(N4CC[NH+](Cc5ccco5)CC4)nccn23)c1 ZINC000306137605 212052559 /nfs/dbraw/zinc/05/25/59/212052559.db2.gz RBEUYYOAEAAECR-UHFFFAOYSA-N 1 2 377.423 3.451 40 0 GGABLO CN1CC[N@H+](Cc2ccncc2)C[C@H]1c1nnn2cc(-c3ccccc3)ccc12 ZINC000306135532 212051683 /nfs/dbraw/zinc/05/16/83/212051683.db2.gz OUDKPKUUDITSEX-QFIPXVFZSA-N 1 2 384.487 3.280 40 0 GGABLO CN1CC[N@@H+](Cc2ccncc2)C[C@H]1c1nnn2cc(-c3ccccc3)ccc12 ZINC000306135532 212051686 /nfs/dbraw/zinc/05/16/86/212051686.db2.gz OUDKPKUUDITSEX-QFIPXVFZSA-N 1 2 384.487 3.280 40 0 GGABLO COc1ccccc1-c1c[nH+]c2n1C[C@@]1(CCN(C(=O)Cc3ccco3)C1)C2 ZINC000306135990 212051614 /nfs/dbraw/zinc/05/16/14/212051614.db2.gz PFVMQRORAHKTLO-QFIPXVFZSA-N 1 2 377.444 3.169 40 0 GGABLO O=C(c1cnccn1)N1CCC2(CCc3[nH+]cc(-c4ccsc4)n3C2)CC1 ZINC000306137315 212050920 /nfs/dbraw/zinc/05/09/20/212050920.db2.gz QSMXVCCSUHVHAB-UHFFFAOYSA-N 1 2 379.489 3.270 40 0 GGABLO CN1CC[N@H+](Cc2cccnc2)C[C@@H]1c1nnn2cc(-c3ccccc3)ccc12 ZINC000306133653 212050451 /nfs/dbraw/zinc/05/04/51/212050451.db2.gz MSJAUKZGTUZZMJ-JOCHJYFZSA-N 1 2 384.487 3.280 40 0 GGABLO CN1CC[N@@H+](Cc2cccnc2)C[C@@H]1c1nnn2cc(-c3ccccc3)ccc12 ZINC000306133653 212050452 /nfs/dbraw/zinc/05/04/52/212050452.db2.gz MSJAUKZGTUZZMJ-JOCHJYFZSA-N 1 2 384.487 3.280 40 0 GGABLO CC(C)n1cc(C[N@H+]2C[C@H]3[C@H](C2)c2cc(-c4ccoc4)ccc2S3(=O)=O)cn1 ZINC000306128907 212047186 /nfs/dbraw/zinc/04/71/86/212047186.db2.gz HOAYMLKNVKWDJB-CTNGQTDRSA-N 1 2 397.500 3.479 40 0 GGABLO CC(C)n1cc(C[N@@H+]2C[C@H]3[C@H](C2)c2cc(-c4ccoc4)ccc2S3(=O)=O)cn1 ZINC000306128907 212047191 /nfs/dbraw/zinc/04/71/91/212047191.db2.gz HOAYMLKNVKWDJB-CTNGQTDRSA-N 1 2 397.500 3.479 40 0 GGABLO Cc1nc(Cn2cc[nH+]c2[C@H]2CN(C(=O)N(C)C)Cc3ccccc32)cs1 ZINC000306129433 212046749 /nfs/dbraw/zinc/04/67/49/212046749.db2.gz IDBUXUFQOBGVNY-SFHVURJKSA-N 1 2 381.505 3.325 40 0 GGABLO CN1CC[N@H+](Cc2ccccn2)C[C@@H]1c1nnn2cc(-c3ccccc3)ccc12 ZINC000306132261 212048871 /nfs/dbraw/zinc/04/88/71/212048871.db2.gz LDBMFNBNNUEBCM-JOCHJYFZSA-N 1 2 384.487 3.280 40 0 GGABLO CN1CC[N@@H+](Cc2ccccn2)C[C@@H]1c1nnn2cc(-c3ccccc3)ccc12 ZINC000306132261 212048873 /nfs/dbraw/zinc/04/88/73/212048873.db2.gz LDBMFNBNNUEBCM-JOCHJYFZSA-N 1 2 384.487 3.280 40 0 GGABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@H]2C[N@H+](Cc3cccnc3)C[C@H]21 ZINC000306131674 212048256 /nfs/dbraw/zinc/04/82/56/212048256.db2.gz KLTKUVILFAWYII-UYAOXDASSA-N 1 2 395.459 3.038 40 0 GGABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]21 ZINC000306131674 212048259 /nfs/dbraw/zinc/04/82/59/212048259.db2.gz KLTKUVILFAWYII-UYAOXDASSA-N 1 2 395.459 3.038 40 0 GGABLO O=C(C[N@H+]1CC[C@H](O)[C@]2(CCCO2)C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000257343667 212027680 /nfs/dbraw/zinc/02/76/80/212027680.db2.gz ZTXYVJZYYYKGFH-UNMCSNQZSA-N 1 2 382.460 3.033 40 0 GGABLO O=C(C[N@@H+]1CC[C@H](O)[C@]2(CCCO2)C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000257343667 212027682 /nfs/dbraw/zinc/02/76/82/212027682.db2.gz ZTXYVJZYYYKGFH-UNMCSNQZSA-N 1 2 382.460 3.033 40 0 GGABLO CCN1C(=O)CC[C@@H](C(=O)NCCCn2cc[nH+]c2)[C@@H]1c1cccc(Cl)c1 ZINC000257343385 212027210 /nfs/dbraw/zinc/02/72/10/212027210.db2.gz ZSTXZJVPLZIMIB-MJGOQNOKSA-N 1 2 388.899 3.043 40 0 GGABLO CO[C@H]1CC[N@H+](CC(=O)Nc2nc3ccc(Cl)cc3s2)C[C@@]12CCCO2 ZINC000257310970 212022779 /nfs/dbraw/zinc/02/27/79/212022779.db2.gz UHJKWQKLVROBRP-YJBOKZPZSA-N 1 2 395.912 3.158 40 0 GGABLO CO[C@H]1CC[N@@H+](CC(=O)Nc2nc3ccc(Cl)cc3s2)C[C@@]12CCCO2 ZINC000257310970 212022782 /nfs/dbraw/zinc/02/27/82/212022782.db2.gz UHJKWQKLVROBRP-YJBOKZPZSA-N 1 2 395.912 3.158 40 0 GGABLO COc1ccc(Cc2cc(C)nc([C@H]3C[N@H+](Cc4cnn(C)c4)CCO3)c2)cc1 ZINC000257308832 212022430 /nfs/dbraw/zinc/02/24/30/212022430.db2.gz TYHNSPFDZUYQAT-HSZRJFAPSA-N 1 2 392.503 3.296 40 0 GGABLO COc1ccc(Cc2cc(C)nc([C@H]3C[N@@H+](Cc4cnn(C)c4)CCO3)c2)cc1 ZINC000257308832 212022435 /nfs/dbraw/zinc/02/24/35/212022435.db2.gz TYHNSPFDZUYQAT-HSZRJFAPSA-N 1 2 392.503 3.296 40 0 GGABLO CO[C@H]1CC[N@@H+](CC(=O)Nc2nc3ccc(Cl)cc3s2)C[C@]12CCCO2 ZINC000257310968 212021721 /nfs/dbraw/zinc/02/17/21/212021721.db2.gz UHJKWQKLVROBRP-MAUKXSAKSA-N 1 2 395.912 3.158 40 0 GGABLO CO[C@H]1CC[N@H+](CC(=O)Nc2nc3ccc(Cl)cc3s2)C[C@]12CCCO2 ZINC000257310968 212021717 /nfs/dbraw/zinc/02/17/17/212021717.db2.gz UHJKWQKLVROBRP-MAUKXSAKSA-N 1 2 395.912 3.158 40 0 GGABLO Cc1[nH+]cc(-c2nccnc2C2CCN(C(=O)c3cccc(F)c3)CC2)n1C ZINC000257295651 212020632 /nfs/dbraw/zinc/02/06/32/212020632.db2.gz QZHHJIQINRWTNU-UHFFFAOYSA-N 1 2 379.439 3.344 40 0 GGABLO Cc1[nH+]cc(-c2nccnc2C2CCN(C(=O)c3cc(F)cc(F)c3)CC2)n1C ZINC000257302877 212020367 /nfs/dbraw/zinc/02/03/67/212020367.db2.gz SETVPHBPTUZTEG-UHFFFAOYSA-N 1 2 397.429 3.484 40 0 GGABLO c1cnc(Nc2cncc([C@@H]3C[N@H+](Cc4cccc5ncccc45)CCO3)n2)nc1 ZINC000257294258 212017987 /nfs/dbraw/zinc/01/79/87/212017987.db2.gz QTGOKTNERRWRFS-FQEVSTJZSA-N 1 2 399.458 3.132 40 0 GGABLO c1cnc(Nc2cncc([C@@H]3C[N@@H+](Cc4cccc5ncccc45)CCO3)n2)nc1 ZINC000257294258 212017991 /nfs/dbraw/zinc/01/79/91/212017991.db2.gz QTGOKTNERRWRFS-FQEVSTJZSA-N 1 2 399.458 3.132 40 0 GGABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3ccc(Nc4ccc(F)cn4)cn3)C2)cn1 ZINC000257285271 212017828 /nfs/dbraw/zinc/01/78/28/212017828.db2.gz PGJWWXYJTUAOLG-LJQANCHMSA-N 1 2 382.443 3.149 40 0 GGABLO CCn1cc(C[N@H+]2CCO[C@@H](c3ccc(Nc4ccc(F)cn4)cn3)C2)cn1 ZINC000257285271 212017831 /nfs/dbraw/zinc/01/78/31/212017831.db2.gz PGJWWXYJTUAOLG-LJQANCHMSA-N 1 2 382.443 3.149 40 0 GGABLO Cc1onc(C(C)C)c1C(=O)N1CC[C@@H](c2ncncc2-c2cc[nH+]c(N)c2)C1 ZINC000257280700 212016226 /nfs/dbraw/zinc/01/62/26/212016226.db2.gz OLZGRQBZYCYRJP-OAHLLOKOSA-N 1 2 392.463 3.170 40 0 GGABLO Cc1[nH+]cc(-c2nccnc2[C@@H]2CCCN(C(=O)c3cccc(F)c3)C2)n1C ZINC000257276129 212015946 /nfs/dbraw/zinc/01/59/46/212015946.db2.gz NSLNZGHHIZCSIF-MRXNPFEDSA-N 1 2 379.439 3.344 40 0 GGABLO Cc1ccc(C)c(NC(=O)C[N@@H+]2CC[C@](C)(O)[C@@H](Oc3cccc(F)c3)C2)c1 ZINC000257280087 212016986 /nfs/dbraw/zinc/01/69/86/212016986.db2.gz OJJRPLBTIQTQFN-UNMCSNQZSA-N 1 2 386.467 3.285 40 0 GGABLO Cc1ccc(C)c(NC(=O)C[N@H+]2CC[C@](C)(O)[C@@H](Oc3cccc(F)c3)C2)c1 ZINC000257280087 212016990 /nfs/dbraw/zinc/01/69/90/212016990.db2.gz OJJRPLBTIQTQFN-UNMCSNQZSA-N 1 2 386.467 3.285 40 0 GGABLO Cc1[nH+]cc(-c2cncc(C[C@@H]3CCCN(C(=O)c4cccs4)C3)n2)n1C ZINC000257270134 212014630 /nfs/dbraw/zinc/01/46/30/212014630.db2.gz MSXQWYPOUSLLKX-HNNXBMFYSA-N 1 2 381.505 3.342 40 0 GGABLO Cc1[nH+]cc(-c2nccnc2CC2CCN(C(=O)c3ccccc3F)CC2)n1C ZINC000257272943 212014830 /nfs/dbraw/zinc/01/48/30/212014830.db2.gz NEMYMYQJVPPEJL-UHFFFAOYSA-N 1 2 393.466 3.420 40 0 GGABLO COc1ccc(-c2cccc([C@@H]3C[N@H+](Cc4cnn(C)c4C)CCO3)n2)cc1 ZINC000257250883 212010240 /nfs/dbraw/zinc/01/02/40/212010240.db2.gz JOKLZJRUZDYLBY-QFIPXVFZSA-N 1 2 378.476 3.373 40 0 GGABLO COc1ccc(-c2cccc([C@@H]3C[N@@H+](Cc4cnn(C)c4C)CCO3)n2)cc1 ZINC000257250883 212010243 /nfs/dbraw/zinc/01/02/43/212010243.db2.gz JOKLZJRUZDYLBY-QFIPXVFZSA-N 1 2 378.476 3.373 40 0 GGABLO Cc1ccc(F)c(NC(=O)C[N@@H+]2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)c1 ZINC000257243800 212009662 /nfs/dbraw/zinc/00/96/62/212009662.db2.gz IIPCJQQBWSFBNS-FPOVZHCZSA-N 1 2 390.430 3.116 40 0 GGABLO Cc1ccc(F)c(NC(=O)C[N@H+]2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)c1 ZINC000257243800 212009666 /nfs/dbraw/zinc/00/96/66/212009666.db2.gz IIPCJQQBWSFBNS-FPOVZHCZSA-N 1 2 390.430 3.116 40 0 GGABLO CN(C[C@H]1CC[C@H](c2cc(C[NH+](C)C)n(C)n2)CC1)C(=O)c1cc(C2CC2)[nH]n1 ZINC000257235823 212008814 /nfs/dbraw/zinc/00/88/14/212008814.db2.gz GZQYTOGQCLSPPQ-JCNLHEQBSA-N 1 2 398.555 3.128 40 0 GGABLO CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)Cn1c(C)[nH+]c3ccccc31)C2 ZINC000257243660 212008518 /nfs/dbraw/zinc/00/85/18/212008518.db2.gz IHZASBJFKJWZSB-XKPYVIEYSA-N 1 2 394.519 3.125 40 0 GGABLO Cc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@H](Oc2cccc(F)c2)[C@@](C)(O)C1 ZINC000257220154 212005637 /nfs/dbraw/zinc/00/56/37/212005637.db2.gz DJUGFUATYJRJCQ-UGKGYDQZSA-N 1 2 386.467 3.285 40 0 GGABLO Cc1cccc(C)c1NC(=O)C[N@H+]1CC[C@H](Oc2cccc(F)c2)[C@@](C)(O)C1 ZINC000257220154 212005640 /nfs/dbraw/zinc/00/56/40/212005640.db2.gz DJUGFUATYJRJCQ-UGKGYDQZSA-N 1 2 386.467 3.285 40 0 GGABLO Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2C[N@H+](Cc3cnn(C)c3)CCO2)n1 ZINC000257218615 212005356 /nfs/dbraw/zinc/00/53/56/212005356.db2.gz DDUOOIQJPBOPPK-QFIPXVFZSA-N 1 2 380.467 3.427 40 0 GGABLO Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2C[N@@H+](Cc3cnn(C)c3)CCO2)n1 ZINC000257218615 212005361 /nfs/dbraw/zinc/00/53/61/212005361.db2.gz DDUOOIQJPBOPPK-QFIPXVFZSA-N 1 2 380.467 3.427 40 0 GGABLO FC(F)(F)c1ccnc(Nc2nccc([C@@H]3CC[N@H+](Cc4ncc[nH]4)C3)n2)c1 ZINC000257220711 212005382 /nfs/dbraw/zinc/00/53/82/212005382.db2.gz DLVCIGZDIDKGFI-GFCCVEGCSA-N 1 2 389.385 3.347 40 0 GGABLO FC(F)(F)c1ccnc(Nc2nccc([C@@H]3CC[N@@H+](Cc4ncc[nH]4)C3)n2)c1 ZINC000257220711 212005385 /nfs/dbraw/zinc/00/53/85/212005385.db2.gz DLVCIGZDIDKGFI-GFCCVEGCSA-N 1 2 389.385 3.347 40 0 GGABLO FC(F)(F)c1ccnc(Nc2nccc([C@H]3CC[N@H+](Cc4ncc[nH]4)C3)n2)c1 ZINC000257220712 212004842 /nfs/dbraw/zinc/00/48/42/212004842.db2.gz DLVCIGZDIDKGFI-LBPRGKRZSA-N 1 2 389.385 3.347 40 0 GGABLO FC(F)(F)c1ccnc(Nc2nccc([C@H]3CC[N@@H+](Cc4ncc[nH]4)C3)n2)c1 ZINC000257220712 212004846 /nfs/dbraw/zinc/00/48/46/212004846.db2.gz DLVCIGZDIDKGFI-LBPRGKRZSA-N 1 2 389.385 3.347 40 0 GGABLO Fc1ccccc1OCCc1cc([C@@H]2C[N@H+](Cc3ccccn3)CCO2)[nH]n1 ZINC000257209564 212004246 /nfs/dbraw/zinc/00/42/46/212004246.db2.gz BQWPHGMQNPGKAR-NRFANRHFSA-N 1 2 382.439 3.139 40 0 GGABLO Fc1ccccc1OCCc1cc([C@@H]2C[N@@H+](Cc3ccccn3)CCO2)[nH]n1 ZINC000257209564 212004248 /nfs/dbraw/zinc/00/42/48/212004248.db2.gz BQWPHGMQNPGKAR-NRFANRHFSA-N 1 2 382.439 3.139 40 0 GGABLO Cc1[nH+]cc(-c2cc(CC3CCN(C(=O)c4ccccn4)CC3)ccn2)n1C ZINC000257210968 212003940 /nfs/dbraw/zinc/00/39/40/212003940.db2.gz BWWYUFUQOYURPF-UHFFFAOYSA-N 1 2 375.476 3.280 40 0 GGABLO Cc1cc(Sc2ccccc2)ccc1NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000067315412 211954643 /nfs/dbraw/zinc/95/46/43/211954643.db2.gz XDMFGDWQTYJHSG-UHFFFAOYSA-N 1 2 394.500 3.488 40 0 GGABLO Cc1ccc(-n2c(=O)c3ccccc3nc2SCC[NH+]2CCOCC2)cc1C ZINC000021225112 211743508 /nfs/dbraw/zinc/74/35/08/211743508.db2.gz MTLCVXDTPRXDAQ-UHFFFAOYSA-N 1 2 395.528 3.427 40 0 GGABLO CN(C)c1ccc(NC(=O)C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000001336438 211505859 /nfs/dbraw/zinc/50/58/59/211505859.db2.gz XPNPBZMENCDLMW-UHFFFAOYSA-N 1 2 383.467 3.425 40 0 GGABLO COc1ccc(C[N@@H+]2CCc3nc4cc(C)[nH]n4c(=O)c3CC2)cc1OC(C)C ZINC000100775118 211391084 /nfs/dbraw/zinc/39/10/84/211391084.db2.gz NXRISLAIEZFNCD-UHFFFAOYSA-N 1 2 396.491 3.140 40 0 GGABLO CCCc1ccc(C(=O)N2CCCn3nnc(C[NH+]4CCCCC4)c3C2)cc1 ZINC000096259589 211327221 /nfs/dbraw/zinc/32/72/21/211327221.db2.gz QZKODGWBCIHVJV-UHFFFAOYSA-N 1 2 381.524 3.263 40 0 GGABLO CC(C)n1c2cc(C(=O)N3CC[NH+](C)CC3)n(C(=O)N(C)C)c2c2ccccc21 ZINC000096146424 211309861 /nfs/dbraw/zinc/30/98/61/211309861.db2.gz VWJPGOIICUTTON-UHFFFAOYSA-N 1 2 395.507 3.094 40 0 GGABLO Cn1ccnc1C[N@@H+]1Cc2ccccc2C2(CCN(C(=O)c3ccco3)CC2)C1 ZINC000096242525 211322937 /nfs/dbraw/zinc/32/29/37/211322937.db2.gz WCZGPYNWAVKTQM-UHFFFAOYSA-N 1 2 390.487 3.203 40 0 GGABLO Cn1ccnc1C[N@H+]1Cc2ccccc2C2(CCN(C(=O)c3ccco3)CC2)C1 ZINC000096242525 211322940 /nfs/dbraw/zinc/32/29/40/211322940.db2.gz WCZGPYNWAVKTQM-UHFFFAOYSA-N 1 2 390.487 3.203 40 0 GGABLO CCOCCCNC(=O)[C@H]1c2c([nH+]cn2C(C)C)CCN1Cc1ccccc1 ZINC000096037525 211297046 /nfs/dbraw/zinc/29/70/46/211297046.db2.gz UJEJVPRXALEBPS-OAQYLSRUSA-N 1 2 384.524 3.106 40 0 GGABLO CCCNC(=O)[C@@H]1C[C@]2(CO1)c1ccccc1C[N@H+]2Cc1cccc(OC)c1 ZINC000096143943 211308336 /nfs/dbraw/zinc/30/83/36/211308336.db2.gz FMINFBFJULTWQC-GMAHTHKFSA-N 1 2 380.488 3.221 40 0 GGABLO CCCNC(=O)[C@@H]1C[C@]2(CO1)c1ccccc1C[N@@H+]2Cc1cccc(OC)c1 ZINC000096143943 211308339 /nfs/dbraw/zinc/30/83/39/211308339.db2.gz FMINFBFJULTWQC-GMAHTHKFSA-N 1 2 380.488 3.221 40 0 GGABLO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@H](C(=O)c4ccccc4)[C@@H]3C2=O)cc1C ZINC000095346195 211220286 /nfs/dbraw/zinc/22/02/86/211220286.db2.gz ZHQNWZMABXGLTE-MHTWAQMVSA-N 1 2 388.467 3.139 40 0 GGABLO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@H](C(=O)c4ccccc4)[C@@H]3C2=O)cc1C ZINC000095346195 211220289 /nfs/dbraw/zinc/22/02/89/211220289.db2.gz ZHQNWZMABXGLTE-MHTWAQMVSA-N 1 2 388.467 3.139 40 0 GGABLO Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)Cc2cn3cccc(C)c3[nH+]2)c1 ZINC000084210767 211167598 /nfs/dbraw/zinc/16/75/98/211167598.db2.gz QBXXYZCDYNNNMA-SFHVURJKSA-N 1 2 394.500 3.034 40 0 GGABLO CNc1nc([C@H]2CCCN(C(=O)CCC3CCCC3)C2)nc2c1C[N@H+](C)CC2 ZINC000072372175 211103328 /nfs/dbraw/zinc/10/33/28/211103328.db2.gz SMAQUFLQYSIHQB-KRWDZBQOSA-N 1 2 385.556 3.183 40 0 GGABLO CNc1nc([C@H]2CCCN(C(=O)CCC3CCCC3)C2)nc2c1C[N@@H+](C)CC2 ZINC000072372175 211103330 /nfs/dbraw/zinc/10/33/30/211103330.db2.gz SMAQUFLQYSIHQB-KRWDZBQOSA-N 1 2 385.556 3.183 40 0 GGABLO Nc1ncc(-c2ccccc2)c([C@@H]2CCCC[N@H+]2CC(=O)Nc2nccs2)n1 ZINC000072376865 211105438 /nfs/dbraw/zinc/10/54/38/211105438.db2.gz RJFMQLYWOLIPIT-INIZCTEOSA-N 1 2 394.504 3.348 40 0 GGABLO Nc1ncc(-c2ccccc2)c([C@H]2CCCC[N@@H+]2CC(=O)Nc2ccccn2)n1 ZINC000072377018 211105420 /nfs/dbraw/zinc/10/54/20/211105420.db2.gz JAIHRHCBEXTAIU-GOSISDBHSA-N 1 2 388.475 3.287 40 0 GGABLO Nc1ncc(-c2ccccc2)c([C@H]2CCCC[N@H+]2CC(=O)Nc2ccccn2)n1 ZINC000072377018 211105423 /nfs/dbraw/zinc/10/54/23/211105423.db2.gz JAIHRHCBEXTAIU-GOSISDBHSA-N 1 2 388.475 3.287 40 0 GGABLO Nc1ncc(-c2ccccc2)c([C@@H]2CCCC[N@@H+]2CC(=O)Nc2nccs2)n1 ZINC000072376865 211105434 /nfs/dbraw/zinc/10/54/34/211105434.db2.gz RJFMQLYWOLIPIT-INIZCTEOSA-N 1 2 394.504 3.348 40 0 GGABLO CCc1[nH+]ccn1-c1cncc([C@@H]2CCCN2C(=O)Cc2ccc(OC)cc2)n1 ZINC000072378377 211104993 /nfs/dbraw/zinc/10/49/93/211104993.db2.gz VANSCLWMKIPJDA-IBGZPJMESA-N 1 2 391.475 3.140 40 0 GGABLO Nc1ncc(-c2ccccc2)c([C@@H]2CCCC[N@@H+]2CC(=O)Nc2ccccn2)n1 ZINC000072377017 211104628 /nfs/dbraw/zinc/10/46/28/211104628.db2.gz JAIHRHCBEXTAIU-SFHVURJKSA-N 1 2 388.475 3.287 40 0 GGABLO Nc1ncc(-c2ccccc2)c([C@@H]2CCCC[N@H+]2CC(=O)Nc2ccccn2)n1 ZINC000072377017 211104630 /nfs/dbraw/zinc/10/46/30/211104630.db2.gz JAIHRHCBEXTAIU-SFHVURJKSA-N 1 2 388.475 3.287 40 0 GGABLO CC(C)n1cc(C[N@@H+]2CCc3c(=O)[nH]c(N4CCCC4)nc3C2)c2ccccc21 ZINC000072335545 211093103 /nfs/dbraw/zinc/09/31/03/211093103.db2.gz MSJOHSWOJTXKPS-UHFFFAOYSA-N 1 2 391.519 3.464 40 0 GGABLO CC(C)n1cc(C[N@H+]2CCc3c(=O)[nH]c(N4CCCC4)nc3C2)c2ccccc21 ZINC000072335545 211093109 /nfs/dbraw/zinc/09/31/09/211093109.db2.gz MSJOHSWOJTXKPS-UHFFFAOYSA-N 1 2 391.519 3.464 40 0 GGABLO COc1cccc(Oc2nccnc2[C@H]2CCC[N@H+](Cc3nccn3C)C2)c1 ZINC000072362771 211101486 /nfs/dbraw/zinc/10/14/86/211101486.db2.gz MOFLGVRMDJPGIO-INIZCTEOSA-N 1 2 379.464 3.391 40 0 GGABLO COc1cccc(Oc2nccnc2[C@H]2CCC[N@@H+](Cc3nccn3C)C2)c1 ZINC000072362771 211101490 /nfs/dbraw/zinc/10/14/90/211101490.db2.gz MOFLGVRMDJPGIO-INIZCTEOSA-N 1 2 379.464 3.391 40 0 GGABLO O=C(CCCc1ccccc1)N1CCC[C@@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000072355406 211099477 /nfs/dbraw/zinc/09/94/77/211099477.db2.gz LINGFABBFFAJKL-LJQANCHMSA-N 1 2 375.476 3.391 40 0 GGABLO Nc1cc(-c2c[nH]nc2[C@H]2CCCN(C(=O)CCc3ccccc3)C2)cc[nH+]1 ZINC000072357463 211097946 /nfs/dbraw/zinc/09/79/46/211097946.db2.gz CUXUVBICHZVREE-SFHVURJKSA-N 1 2 375.476 3.393 40 0 GGABLO COc1ccc(CCC(=O)N2CCC[C@H](c3nccnc3-n3cc[nH+]c3)C2)cc1 ZINC000072350624 211097618 /nfs/dbraw/zinc/09/76/18/211097618.db2.gz LELIOMZZQGOBLZ-SFHVURJKSA-N 1 2 391.475 3.010 40 0 GGABLO CCc1[nH+]ccn1-c1nccnc1[C@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC000072350596 211097413 /nfs/dbraw/zinc/09/74/13/211097413.db2.gz XRJWIAFGMWWQMJ-KRWDZBQOSA-N 1 2 391.475 3.010 40 0 GGABLO CCc1[nH+]ccn1-c1nccnc1C1CCN(C(=O)Cc2ccccc2)CC1 ZINC000072350577 211097137 /nfs/dbraw/zinc/09/71/37/211097137.db2.gz NWYCSHPQQALBFU-UHFFFAOYSA-N 1 2 375.476 3.173 40 0 GGABLO Cc1nc2cc(C(=O)N3CC[N@@H+](Cc4ccco4)C[C@@H]3C(C)C)ccc2n1C ZINC000072324105 211090358 /nfs/dbraw/zinc/09/03/58/211090358.db2.gz ZXBDFRKIZCUMKO-OAQYLSRUSA-N 1 2 380.492 3.457 40 0 GGABLO Cc1nc2cc(C(=O)N3CC[N@H+](Cc4ccco4)C[C@@H]3C(C)C)ccc2n1C ZINC000072324105 211090362 /nfs/dbraw/zinc/09/03/62/211090362.db2.gz ZXBDFRKIZCUMKO-OAQYLSRUSA-N 1 2 380.492 3.457 40 0 GGABLO COc1ccc(Cl)cc1NC(=O)N1CCCSC[C@@H]1C[NH+]1CCOCC1 ZINC000090609209 211036629 /nfs/dbraw/zinc/03/66/29/211036629.db2.gz RYHWJASFRZSCBN-HNNXBMFYSA-N 1 2 399.944 3.020 40 0 GGABLO O=C(N1CC[NH+](Cc2cccc(F)c2)CC1)C1(c2ccccc2)CCOCC1 ZINC000072264678 210745548 /nfs/dbraw/zinc/74/55/48/210745548.db2.gz NAXJXPUYLOGJDR-UHFFFAOYSA-N 1 2 382.479 3.218 40 0 GGABLO Cc1ccc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1C ZINC000022387917 210411870 /nfs/dbraw/zinc/41/18/70/210411870.db2.gz UIQVYVRADOKZME-UHFFFAOYSA-N 1 2 383.517 3.262 40 0 GGABLO COc1ccc(C[NH+]2CCN([C@H](C)C(=O)Nc3ccc(C)cc3)CC2)cc1OC ZINC000022095578 210405693 /nfs/dbraw/zinc/40/56/93/210405693.db2.gz CHSAYDBKVNWUEY-GOSISDBHSA-N 1 2 397.519 3.157 40 0 GGABLO CCc1ccccc1O[C@@H](C)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020453675 210334821 /nfs/dbraw/zinc/33/48/21/210334821.db2.gz YPUPSGCGVPFVRG-KRWDZBQOSA-N 1 2 396.487 3.089 40 0 GGABLO CCOC(=O)c1ccc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)c(C)c1 ZINC000020106935 210316900 /nfs/dbraw/zinc/31/69/00/210316900.db2.gz IJKQLONDIFRZHS-UHFFFAOYSA-N 1 2 382.460 3.256 40 0 GGABLO COC(=O)c1cc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)ccc1Cl ZINC000020046315 210315272 /nfs/dbraw/zinc/31/52/72/210315272.db2.gz MXCKDSRBIXJJMA-UHFFFAOYSA-N 1 2 388.851 3.211 40 0 GGABLO CC[C@@H](Oc1cccc(C)c1)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020041510 210311900 /nfs/dbraw/zinc/31/19/00/210311900.db2.gz YYGFMBZCLNFURN-HXUWFJFHSA-N 1 2 396.487 3.226 40 0 GGABLO Cc1ccc(-c2cc(C(=O)N3CCC[N@H+](Cc4ccccn4)CC3)no2)cc1 ZINC000019715062 210285833 /nfs/dbraw/zinc/28/58/33/210285833.db2.gz PJOJOEOYWICJFI-UHFFFAOYSA-N 1 2 376.460 3.393 40 0 GGABLO Cc1ccc(-c2cc(C(=O)N3CCC[N@@H+](Cc4ccccn4)CC3)no2)cc1 ZINC000019715062 210285838 /nfs/dbraw/zinc/28/58/38/210285838.db2.gz PJOJOEOYWICJFI-UHFFFAOYSA-N 1 2 376.460 3.393 40 0 GGABLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 ZINC000019715555 210286003 /nfs/dbraw/zinc/28/60/03/210286003.db2.gz NFJCKRVSQYTFOH-MRXNPFEDSA-N 1 2 399.516 3.120 40 0 GGABLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 ZINC000019715555 210286004 /nfs/dbraw/zinc/28/60/04/210286004.db2.gz NFJCKRVSQYTFOH-MRXNPFEDSA-N 1 2 399.516 3.120 40 0 GGABLO Cc1nc([C@@H]2CCCC[N@H+]2Cc2cnn(C)c2)ncc1C(=O)Nc1ccccc1 ZINC000019764806 210295334 /nfs/dbraw/zinc/29/53/34/210295334.db2.gz IXXNOCNBNXIZEO-FQEVSTJZSA-N 1 2 390.491 3.498 40 0 GGABLO Cc1nc([C@@H]2CCCC[N@@H+]2Cc2cnn(C)c2)ncc1C(=O)Nc1ccccc1 ZINC000019764806 210295338 /nfs/dbraw/zinc/29/53/38/210295338.db2.gz IXXNOCNBNXIZEO-FQEVSTJZSA-N 1 2 390.491 3.498 40 0 GGABLO Cc1nc([C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)ncc1C(=O)N1CCOCC1 ZINC000019751872 210293950 /nfs/dbraw/zinc/29/39/50/210293950.db2.gz XRWABNWYIHEXKR-FQEVSTJZSA-N 1 2 398.482 3.124 40 0 GGABLO Cc1nc([C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)ncc1C(=O)N1CCOCC1 ZINC000019751872 210293954 /nfs/dbraw/zinc/29/39/54/210293954.db2.gz XRWABNWYIHEXKR-FQEVSTJZSA-N 1 2 398.482 3.124 40 0 GGABLO Cc1ccc(C(C)(C)C(=O)N2CCc3nnc([C@@H]4CCCC[N@H+]4C)n3CC2)cc1 ZINC000019706161 210282998 /nfs/dbraw/zinc/28/29/98/210282998.db2.gz BNEZKVLPQFWXGZ-IBGZPJMESA-N 1 2 395.551 3.106 40 0 GGABLO Cc1ccc(C(C)(C)C(=O)N2CCc3nnc([C@@H]4CCCC[N@@H+]4C)n3CC2)cc1 ZINC000019706161 210283002 /nfs/dbraw/zinc/28/30/02/210283002.db2.gz BNEZKVLPQFWXGZ-IBGZPJMESA-N 1 2 395.551 3.106 40 0 GGABLO CN(C)c1ncc(-c2cccc(F)c2)c(C2CC[NH+](Cc3ncc[nH]3)CC2)n1 ZINC000019695247 210281912 /nfs/dbraw/zinc/28/19/12/210281912.db2.gz LREXLECFMKPNHB-UHFFFAOYSA-N 1 2 380.471 3.451 40 0 GGABLO Cc1nn(C(F)F)cc1S(=O)(=O)Nc1ccccc1C[NH+]1CCCCC1 ZINC000019583401 210270411 /nfs/dbraw/zinc/27/04/11/210270411.db2.gz FZERXSJXRCVJSO-UHFFFAOYSA-N 1 2 384.452 3.373 40 0 GGABLO CCn1c[nH+]cc1CN1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccncc1 ZINC000019578666 210269359 /nfs/dbraw/zinc/26/93/59/210269359.db2.gz VTUGIBOWSKUKHC-QFIPXVFZSA-N 1 2 378.476 3.463 40 0 GGABLO Cc1cc(C)n(C[C@H](O)C[N@H+](Cc2ccco2)Cc2c(C)nc3sccn23)n1 ZINC000019573772 210268564 /nfs/dbraw/zinc/26/85/64/210268564.db2.gz UNCRZWSYDRYJRU-QGZVFWFLSA-N 1 2 399.520 3.174 40 0 GGABLO Cc1cc(C)n(C[C@H](O)C[N@@H+](Cc2ccco2)Cc2c(C)nc3sccn23)n1 ZINC000019573772 210268567 /nfs/dbraw/zinc/26/85/67/210268567.db2.gz UNCRZWSYDRYJRU-QGZVFWFLSA-N 1 2 399.520 3.174 40 0 GGABLO COc1ccccc1CCC(=O)N1CCc2nc([C@@H]3CCCC[N@@H+]3C)ncc2C1 ZINC000019588904 210271868 /nfs/dbraw/zinc/27/18/68/210271868.db2.gz MLTPGCPJNOUUMG-FQEVSTJZSA-N 1 2 394.519 3.160 40 0 GGABLO COc1ccccc1CCC(=O)N1CCc2nc([C@@H]3CCCC[N@H+]3C)ncc2C1 ZINC000019588904 210271871 /nfs/dbraw/zinc/27/18/71/210271871.db2.gz MLTPGCPJNOUUMG-FQEVSTJZSA-N 1 2 394.519 3.160 40 0 GGABLO COc1cc([C@@H]2NC(=O)CC[NH2+]2)cc(Br)c1OCc1ccccc1 ZINC000408738172 533132341 /nfs/dbraw/zinc/13/23/41/533132341.db2.gz QDEFPIKPOJRPFO-SFHVURJKSA-N 1 2 391.265 3.145 40 0 GGABLO Cc1csc(NC(=O)C[N@@H+]2CCC[C@H](c3ncncc3-c3cc(C)no3)C2)n1 ZINC000012118404 221153513 /nfs/dbraw/zinc/15/35/13/221153513.db2.gz RNTXNVGSQMMQLT-AWEZNQCLSA-N 1 2 398.492 3.023 40 0 GGABLO Cc1csc(NC(=O)C[N@H+]2CCC[C@H](c3ncncc3-c3cc(C)no3)C2)n1 ZINC000012118404 221153517 /nfs/dbraw/zinc/15/35/17/221153517.db2.gz RNTXNVGSQMMQLT-AWEZNQCLSA-N 1 2 398.492 3.023 40 0 GGABLO COc1ccc(C[N@@H+]2Cc3ccccc3OC[C@@H]2Cn2ccnc2)c(OC)c1 ZINC000012128381 221155653 /nfs/dbraw/zinc/15/56/53/221155653.db2.gz WPTRDUGGWGCQKS-IBGZPJMESA-N 1 2 379.460 3.364 40 0 GGABLO COc1ccc(C[N@H+]2Cc3ccccc3OC[C@@H]2Cn2ccnc2)c(OC)c1 ZINC000012128381 221155655 /nfs/dbraw/zinc/15/56/55/221155655.db2.gz WPTRDUGGWGCQKS-IBGZPJMESA-N 1 2 379.460 3.364 40 0 GGABLO O=C(C[N@H+]1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1)NC1CCCCC1 ZINC000012184532 221164395 /nfs/dbraw/zinc/16/43/95/221164395.db2.gz ULZBNWSEEYAXQT-MRXNPFEDSA-N 1 2 391.899 3.334 40 0 GGABLO O=C(C[N@@H+]1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1)NC1CCCCC1 ZINC000012184532 221164398 /nfs/dbraw/zinc/16/43/98/221164398.db2.gz ULZBNWSEEYAXQT-MRXNPFEDSA-N 1 2 391.899 3.334 40 0 GGABLO COC(=O)c1ccc(C[N@@H+]2CCc3c(nc4cc(C(C)(C)C)[nH]n4c3=O)C2)cc1 ZINC000012185425 221164433 /nfs/dbraw/zinc/16/44/33/221164433.db2.gz IQMADYGONDXUQT-UHFFFAOYSA-N 1 2 394.475 3.077 40 0 GGABLO COC(=O)c1ccc(C[N@H+]2CCc3c(nc4cc(C(C)(C)C)[nH]n4c3=O)C2)cc1 ZINC000012185425 221164435 /nfs/dbraw/zinc/16/44/35/221164435.db2.gz IQMADYGONDXUQT-UHFFFAOYSA-N 1 2 394.475 3.077 40 0 GGABLO Cc1[nH]c(=S)sc1CC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000014404598 221309679 /nfs/dbraw/zinc/30/96/79/221309679.db2.gz WPXBEDGFEJGYFT-HNNXBMFYSA-N 1 2 376.482 3.435 40 0 GGABLO Cc1ccc(CS(=O)(=O)N2CC[C@]3(C2)CCCN(c2cccc[nH+]2)C3)cc1 ZINC000096216772 136185313 /nfs/dbraw/zinc/18/53/13/136185313.db2.gz TXZUXCCXVMHERN-OAQYLSRUSA-N 1 2 385.533 3.212 40 0 GGABLO Cc1cccc(C[N@@H+]2CCc3nc(N4CCOCC4)nc(NC(C)C)c3C2)c1 ZINC000096254290 136185952 /nfs/dbraw/zinc/18/59/52/136185952.db2.gz ZUWDCRKRVZPARJ-UHFFFAOYSA-N 1 2 381.524 3.000 40 0 GGABLO Cc1cccc(C[N@H+]2CCc3nc(N4CCOCC4)nc(NC(C)C)c3C2)c1 ZINC000096254290 136185953 /nfs/dbraw/zinc/18/59/53/136185953.db2.gz ZUWDCRKRVZPARJ-UHFFFAOYSA-N 1 2 381.524 3.000 40 0 GGABLO O=c1cc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)nc2sccn21 ZINC000003405044 136193581 /nfs/dbraw/zinc/19/35/81/136193581.db2.gz IONNDCJVHABYOE-UHFFFAOYSA-N 1 2 394.422 3.097 40 0 GGABLO Cc1cc(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)nc(C(C)C)[nH+]1 ZINC000012740437 136200528 /nfs/dbraw/zinc/20/05/28/136200528.db2.gz HZLIBHQBDDERHD-UHFFFAOYSA-N 1 2 381.524 3.286 40 0 GGABLO CC(C)[C@@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000013504563 136201156 /nfs/dbraw/zinc/20/11/56/136201156.db2.gz LQFUALPVJCJFFB-NRFANRHFSA-N 1 2 376.508 3.241 40 0 GGABLO COC(=O)c1c(NC(=O)CSc2ccccc2)sc2c1CC[N@H+](C)C2 ZINC000408565145 533701547 /nfs/dbraw/zinc/70/15/47/533701547.db2.gz HXYBAZLYELSQLX-UHFFFAOYSA-N 1 2 376.503 3.253 40 0 GGABLO COC(=O)c1c(NC(=O)CSc2ccccc2)sc2c1CC[N@@H+](C)C2 ZINC000408565145 533701550 /nfs/dbraw/zinc/70/15/50/533701550.db2.gz HXYBAZLYELSQLX-UHFFFAOYSA-N 1 2 376.503 3.253 40 0 GGABLO COc1ccc([C@@H](NC(=O)[C@H](C)Oc2ccc(C)cc2)c2[nH+]ccn2C)cc1 ZINC000009156867 525196843 /nfs/dbraw/zinc/19/68/43/525196843.db2.gz GKNSKOUCTKDUPG-OXJNMPFZSA-N 1 2 379.460 3.410 40 0 GGABLO O=C(Nc1ccc(C(=O)Nc2cccc(Cn3cc[nH+]c3)c2)cc1)NC1CC1 ZINC000025180713 527163218 /nfs/dbraw/zinc/16/32/18/527163218.db2.gz XTULSQSHCRXNKD-UHFFFAOYSA-N 1 2 375.432 3.468 40 0 GGABLO CC[NH+]1CCN(C(=O)C(=O)c2c(-c3ccc(C)cc3)cc3ccccn32)CC1 ZINC000408679293 529122651 /nfs/dbraw/zinc/12/26/51/529122651.db2.gz VUGPMASXWVUPIV-UHFFFAOYSA-N 1 2 375.472 3.262 40 0 GGABLO CN1C(=O)c2ccccc2O[C@H]2C[N@@H+](Cc3cc(-c4ccccc4)no3)C[C@H]21 ZINC000514289989 560031125 /nfs/dbraw/zinc/03/11/25/560031125.db2.gz QQNVSHQFTJZWSW-CTNGQTDRSA-N 1 2 375.428 3.059 40 0 biogenic,in-vitro GGABLO CN1C(=O)c2ccccc2O[C@H]2C[N@H+](Cc3cc(-c4ccccc4)no3)C[C@H]21 ZINC000514289989 560031126 /nfs/dbraw/zinc/03/11/26/560031126.db2.gz QQNVSHQFTJZWSW-CTNGQTDRSA-N 1 2 375.428 3.059 40 0 biogenic,in-vitro GGABLO F[C@@H]1C[N@H+](Cc2ccc3ccccc3n2)C[C@@H]1OCc1nc2cc[nH]cc-2n1 ZINC000096112131 560060867 /nfs/dbraw/zinc/06/08/67/560060867.db2.gz WMMUAJITRDXVIO-UZLBHIALSA-N 1 2 377.423 3.245 40 0 biogenic,in-vitro GGABLO F[C@@H]1C[N@@H+](Cc2ccc3ccccc3n2)C[C@@H]1OCc1nc2cc[nH]cc-2n1 ZINC000096112131 560060869 /nfs/dbraw/zinc/06/08/69/560060869.db2.gz WMMUAJITRDXVIO-UZLBHIALSA-N 1 2 377.423 3.245 40 0 biogenic,in-vitro GGABLO Cn1c(CO[C@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]2F)nc2ccccc21 ZINC000096112195 560061526 /nfs/dbraw/zinc/06/15/26/560061526.db2.gz UYKPSHZRVSRPRO-QRWLVFNGSA-N 1 2 383.423 3.041 40 0 biogenic,in-vitro GGABLO Cn1c(CO[C@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@H]2F)nc2ccccc21 ZINC000096112195 560061528 /nfs/dbraw/zinc/06/15/28/560061528.db2.gz UYKPSHZRVSRPRO-QRWLVFNGSA-N 1 2 383.423 3.041 40 0 biogenic,in-vitro GGABLO CN(C)c1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc4c(c3)OCO4)n2)cn1 ZINC000035426265 560080712 /nfs/dbraw/zinc/08/07/12/560080712.db2.gz WWIVMKRLSCYJCT-INIZCTEOSA-N 1 2 393.447 3.263 40 0 biogenic,in-vitro GGABLO CN(C)c1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc4c(c3)OCO4)n2)cn1 ZINC000035426265 560080714 /nfs/dbraw/zinc/08/07/14/560080714.db2.gz WWIVMKRLSCYJCT-INIZCTEOSA-N 1 2 393.447 3.263 40 0 biogenic,in-vitro GGABLO COc1cccc(NC(=O)N[C@H]2C[C@@H](c3nc(-c4ccccc4)no3)[N@H+](C)C2)c1 ZINC000030879556 560090102 /nfs/dbraw/zinc/09/01/02/560090102.db2.gz PZESUXDSGZTRDM-WMZOPIPTSA-N 1 2 393.447 3.312 40 0 biogenic,in-vitro GGABLO COc1cccc(NC(=O)N[C@H]2C[C@@H](c3nc(-c4ccccc4)no3)[N@@H+](C)C2)c1 ZINC000030879556 560090103 /nfs/dbraw/zinc/09/01/03/560090103.db2.gz PZESUXDSGZTRDM-WMZOPIPTSA-N 1 2 393.447 3.312 40 0 biogenic,in-vitro GGABLO c1[nH]c2c([nH+]1)C[C@@H](c1nc(-c3cnccn3)no1)N(Cc1cc3ccccc3o1)C2 ZINC000015675500 560095614 /nfs/dbraw/zinc/09/56/14/560095614.db2.gz JIRVIFASOZZYNU-SFHVURJKSA-N 1 2 399.414 3.296 40 0 biogenic,in-vitro GGABLO C[N@@H+]1C[C@@H](NC(=O)c2ccc(F)cc2)C[C@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000012529957 560212919 /nfs/dbraw/zinc/21/29/19/560212919.db2.gz KOFISJYRJHJDFG-IRXDYDNUSA-N 1 2 384.386 3.190 40 0 biogenic,in-vitro GGABLO C[N@H+]1C[C@@H](NC(=O)c2ccc(F)cc2)C[C@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000012529957 560212921 /nfs/dbraw/zinc/21/29/21/560212921.db2.gz KOFISJYRJHJDFG-IRXDYDNUSA-N 1 2 384.386 3.190 40 0 biogenic,in-vitro GGABLO CC(=O)Nc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000015674116 560230892 /nfs/dbraw/zinc/23/08/92/560230892.db2.gz VPBAIVGOAFHURS-MOPGFXCFSA-N 1 2 378.432 3.003 40 0 biogenic,in-vitro GGABLO CC(=O)Nc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000015674116 560230893 /nfs/dbraw/zinc/23/08/93/560230893.db2.gz VPBAIVGOAFHURS-MOPGFXCFSA-N 1 2 378.432 3.003 40 0 biogenic,in-vitro GGABLO COc1ccc(Br)cc1C[N@H+](C)[C@H](C)C(=O)Nc1cc(C)on1 ZINC000008530354 564250107 /nfs/dbraw/zinc/25/01/07/564250107.db2.gz OWECBZMDEUMPFX-LLVKDONJSA-N 1 2 382.258 3.213 40 0 GGABLO COc1ccc(Br)cc1C[N@@H+](C)[C@H](C)C(=O)Nc1cc(C)on1 ZINC000008530354 564250111 /nfs/dbraw/zinc/25/01/11/564250111.db2.gz OWECBZMDEUMPFX-LLVKDONJSA-N 1 2 382.258 3.213 40 0 GGABLO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000014094295 564279367 /nfs/dbraw/zinc/27/93/67/564279367.db2.gz HUQRPNGQZUWSNQ-GFCCVEGCSA-N 1 2 380.901 3.035 40 0 GGABLO O=C(CN1CC[NH+](Cc2ccc(Cl)cc2)CC1)Nc1cccnc1Cl ZINC000022374471 564315944 /nfs/dbraw/zinc/31/59/44/564315944.db2.gz POFMIXVOURPLIY-UHFFFAOYSA-N 1 2 379.291 3.145 40 0 GGABLO COc1ccccc1[C@H](NC(=O)c1ccc(Br)o1)c1[nH+]ccn1C ZINC000022750188 564319364 /nfs/dbraw/zinc/31/93/64/564319364.db2.gz SCVAUCFJKIXKJL-HNNXBMFYSA-N 1 2 390.237 3.304 40 0 GGABLO Cc1csc2nc(CN3CC[NH+](Cc4ccc(Cl)s4)CC3)cc(=O)n12 ZINC000022877427 564320463 /nfs/dbraw/zinc/32/04/63/564320463.db2.gz IXDYCGQESNWDNT-UHFFFAOYSA-N 1 2 394.953 3.097 40 0 GGABLO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1Br ZINC000024378584 564330585 /nfs/dbraw/zinc/33/05/85/564330585.db2.gz LUFHVNDNJFBCEU-UHFFFAOYSA-N 1 2 389.293 3.211 40 0 GGABLO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccccc1Br ZINC000028727445 564365150 /nfs/dbraw/zinc/36/51/50/564365150.db2.gz KQOBOISSWWCOFP-LBPRGKRZSA-N 1 2 383.311 3.290 40 0 GGABLO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccccc1Br ZINC000028727445 564365152 /nfs/dbraw/zinc/36/51/52/564365152.db2.gz KQOBOISSWWCOFP-LBPRGKRZSA-N 1 2 383.311 3.290 40 0 GGABLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000032611056 564403087 /nfs/dbraw/zinc/40/30/87/564403087.db2.gz RNXLWGZZZZZOSY-UHFFFAOYSA-N 1 2 381.307 3.302 40 0 GGABLO Cc1noc(C)c1S(=O)(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000047213415 564515219 /nfs/dbraw/zinc/51/52/19/564515219.db2.gz FDHPVMGUNWRRDU-MRXNPFEDSA-N 1 2 383.901 3.060 40 0 GGABLO CCOc1c(Br)cc(C[NH2+][C@H](C)c2nnc3n2CCC3)cc1OC ZINC000059260087 564692466 /nfs/dbraw/zinc/69/24/66/564692466.db2.gz NLYGGRMDVYGATR-LLVKDONJSA-N 1 2 395.301 3.245 40 0 GGABLO Cc1ccc(OCC[N@@H+](C)Cc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1 ZINC000048275251 570229591 /nfs/dbraw/zinc/22/95/91/570229591.db2.gz QVWZFYFIKKWTOG-UHFFFAOYSA-N 1 2 389.459 3.340 40 0 GGABLO Cc1ccc(OCC[N@H+](C)Cc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1 ZINC000048275251 570229595 /nfs/dbraw/zinc/22/95/95/570229595.db2.gz QVWZFYFIKKWTOG-UHFFFAOYSA-N 1 2 389.459 3.340 40 0 GGABLO CC(C)(C)c1ccc(C(=O)N2CCCSC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000085473324 570235074 /nfs/dbraw/zinc/23/50/74/570235074.db2.gz ORJWZAOXFVGLML-IBGZPJMESA-N 1 2 376.566 3.264 40 0 GGABLO Cc1cnc(Nc2cc([C@H]3CCN(C(=O)C=Cc4c[nH]c[nH+]4)C3)nc(C)n2)s1 ZINC000585290771 570259463 /nfs/dbraw/zinc/25/94/63/570259463.db2.gz FBPATSAAQILPGF-XGACYXMMSA-N 1 2 395.492 3.046 40 0 GGABLO O=C(N1CC[NH+](C[C@@H](O)c2cccs2)CC1)C1(c2cccs2)CCCC1 ZINC000049031198 570260894 /nfs/dbraw/zinc/26/08/94/570260894.db2.gz KSKWRRSUWKYXRY-MRXNPFEDSA-N 1 2 390.574 3.499 40 0 GGABLO CCOc1ccc(C[N@H+](C)Cc2nc(N)nc(Nc3ccc(F)cc3)n2)cc1 ZINC000014920374 570277134 /nfs/dbraw/zinc/27/71/34/570277134.db2.gz BVLGKNIBKNIFCL-UHFFFAOYSA-N 1 2 382.443 3.367 40 0 GGABLO CCOc1ccc(C[N@@H+](C)Cc2nc(N)nc(Nc3ccc(F)cc3)n2)cc1 ZINC000014920374 570277135 /nfs/dbraw/zinc/27/71/35/570277135.db2.gz BVLGKNIBKNIFCL-UHFFFAOYSA-N 1 2 382.443 3.367 40 0 GGABLO COc1cc2c(cc1OC)C[N@@H+]([C@@H]1CC(=O)N(c3cc(C)cc(C)c3)C1=O)CC2 ZINC000102332021 570288464 /nfs/dbraw/zinc/28/84/64/570288464.db2.gz PJARLQAZMHELAN-LJQANCHMSA-N 1 2 394.471 3.011 40 0 GGABLO COc1cc2c(cc1OC)C[N@H+]([C@@H]1CC(=O)N(c3cc(C)cc(C)c3)C1=O)CC2 ZINC000102332021 570288465 /nfs/dbraw/zinc/28/84/65/570288465.db2.gz PJARLQAZMHELAN-LJQANCHMSA-N 1 2 394.471 3.011 40 0 GGABLO COc1ccc(C(C)=O)cc1CN1CC[NH+](Cc2ccc(OC)c(OC)c2)CC1 ZINC000022130795 570306040 /nfs/dbraw/zinc/30/60/40/570306040.db2.gz FFBHGJPJFQLZHR-UHFFFAOYSA-N 1 2 398.503 3.233 40 0 GGABLO O=S1(=O)CC[C@H]([N@H+](C[C@H]2CCCO2)C(c2ccccc2)c2ccccc2)C1 ZINC000575422697 570308845 /nfs/dbraw/zinc/30/88/45/570308845.db2.gz VXGFCIPLVMHSPM-LEWJYISDSA-N 1 2 385.529 3.444 40 0 GGABLO O=S1(=O)CC[C@H]([N@@H+](C[C@H]2CCCO2)C(c2ccccc2)c2ccccc2)C1 ZINC000575422697 570308846 /nfs/dbraw/zinc/30/88/46/570308846.db2.gz VXGFCIPLVMHSPM-LEWJYISDSA-N 1 2 385.529 3.444 40 0 GGABLO CCOC(=O)c1nnc2c(-c3cccc(Cl)c3)c(C)nn2c1/C=C/[NH+](C)C ZINC000022607519 570322879 /nfs/dbraw/zinc/32/28/79/570322879.db2.gz AUCABKCEVCBPBG-MDZDMXLPSA-N 1 2 385.855 3.462 40 0 GGABLO COc1ccc(OC)c(/C=C/C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)c1 ZINC000023773792 570332978 /nfs/dbraw/zinc/33/29/78/570332978.db2.gz PBIXZJPTKPEWLS-ZRFOIIEFSA-N 1 2 377.444 3.356 40 0 GGABLO Cc1[nH+]c2ccccc2n1CC(=O)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000004859356 570349466 /nfs/dbraw/zinc/34/94/66/570349466.db2.gz ZBCQFQJRAAPCQB-UHFFFAOYSA-N 1 2 384.867 3.473 40 0 GGABLO CCOc1ccc(CCCNC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000219245828 570350254 /nfs/dbraw/zinc/35/02/54/570350254.db2.gz IWTXTEYDHQQOBL-UHFFFAOYSA-N 1 2 382.504 3.280 40 0 GGABLO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057670279 570367955 /nfs/dbraw/zinc/36/79/55/570367955.db2.gz UQMUDMJIAPHPJV-TZIWHRDSSA-N 1 2 398.555 3.132 40 0 GGABLO CCC[C@@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057670610 570368226 /nfs/dbraw/zinc/36/82/26/570368226.db2.gz DHZHOZJEFPHZFM-NRFANRHFSA-N 1 2 376.508 3.385 40 0 GGABLO O=C(NCc1cn2ccccc2[nH+]1)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000023754598 570371545 /nfs/dbraw/zinc/37/15/45/570371545.db2.gz HEEWRIOTXJUHLY-UHFFFAOYSA-N 1 2 375.407 3.078 40 0 GGABLO COc1ccc(C)cc1C[NH+]1CCN([C@H](C)C(=O)Nc2ccccc2F)CC1 ZINC000022923783 570379506 /nfs/dbraw/zinc/37/95/06/570379506.db2.gz CASFFLRPGAKCEA-QGZVFWFLSA-N 1 2 385.483 3.288 40 0 GGABLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)N[C@@H]2CCC23CCCC3)CC1 ZINC000685938840 570396877 /nfs/dbraw/zinc/39/68/77/570396877.db2.gz YIUYIINFDKVSKF-HXUWFJFHSA-N 1 2 384.524 3.195 40 0 GGABLO Cc1ccc(-n2c(SCC[NH+]3CCOCC3)nnc2-c2cccnc2)c(C)c1 ZINC000024463977 570403086 /nfs/dbraw/zinc/40/30/86/570403086.db2.gz TYVAGAIIPXDBBA-UHFFFAOYSA-N 1 2 395.532 3.370 40 0 GGABLO C[N@@H+]1CCC/C1=c1\c(=O)n(-c2ccccc2)n2c(-c3ccc(Cl)cc3)cnc12 ZINC000103461770 570410171 /nfs/dbraw/zinc/41/01/71/570410171.db2.gz DEVYUJOJJZQQHA-CZIZESTLSA-N 1 2 390.874 3.358 40 0 GGABLO C[N@H+]1CCC/C1=c1\c(=O)n(-c2ccccc2)n2c(-c3ccc(Cl)cc3)cnc12 ZINC000103461770 570410172 /nfs/dbraw/zinc/41/01/72/570410172.db2.gz DEVYUJOJJZQQHA-CZIZESTLSA-N 1 2 390.874 3.358 40 0 GGABLO CC1CC[NH+]([C@@H](c2nnnn2Cc2ccc(F)cc2)c2ccc(O)cc2)CC1 ZINC000004847734 570412131 /nfs/dbraw/zinc/41/21/31/570412131.db2.gz YEKZGWLXIQIJDY-HXUWFJFHSA-N 1 2 381.455 3.387 40 0 GGABLO O=C(CCN1c2ccccc2Sc2ccccc21)NCC[NH+]1CCOCC1 ZINC000025426504 570413675 /nfs/dbraw/zinc/41/36/75/570413675.db2.gz PARYJUPISCKSHU-UHFFFAOYSA-N 1 2 383.517 3.128 40 0 GGABLO Cc1cc(=O)[nH]cc1-c1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000072243438 570415327 /nfs/dbraw/zinc/41/53/27/570415327.db2.gz WDKIPHJTDWPMQL-UHFFFAOYSA-N 1 2 393.512 3.370 40 0 GGABLO Cc1cccc(CSCC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000013009154 570416248 /nfs/dbraw/zinc/41/62/48/570416248.db2.gz KURWTKJSLGYTPV-UHFFFAOYSA-N 1 2 398.528 3.301 40 0 GGABLO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@@H]3C(=O)c2ccccc2)cc1C ZINC000035851490 570433972 /nfs/dbraw/zinc/43/39/72/570433972.db2.gz ZHQNWZMABXGLTE-NCYKPQTJSA-N 1 2 388.467 3.139 40 0 GGABLO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@H+]2[C@@H]3C(=O)c2ccccc2)cc1C ZINC000035851490 570433974 /nfs/dbraw/zinc/43/39/74/570433974.db2.gz ZHQNWZMABXGLTE-NCYKPQTJSA-N 1 2 388.467 3.139 40 0 GGABLO COc1ccc(OCc2nn(C[NH+]3CCC(C)CC3)c(=S)n2C)cc1OC ZINC000005416761 570438360 /nfs/dbraw/zinc/43/83/60/570438360.db2.gz HFQNUJAUPFMZBN-UHFFFAOYSA-N 1 2 392.525 3.237 40 0 GGABLO CC[C@H](c1nnnn1C1CCCC1)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000035290699 570458380 /nfs/dbraw/zinc/45/83/80/570458380.db2.gz AADZNTDHLUTMIG-LJQANCHMSA-N 1 2 384.528 3.066 40 0 GGABLO Cc1nc2ccccn2c1-c1nnc2sc(C[N@@H+](C)Cc3ccccc3)nn21 ZINC000227144025 570462468 /nfs/dbraw/zinc/46/24/68/570462468.db2.gz PAQRLXKJXLIVFO-UHFFFAOYSA-N 1 2 389.488 3.441 40 0 GGABLO Cc1nc2ccccn2c1-c1nnc2sc(C[N@H+](C)Cc3ccccc3)nn21 ZINC000227144025 570462472 /nfs/dbraw/zinc/46/24/72/570462472.db2.gz PAQRLXKJXLIVFO-UHFFFAOYSA-N 1 2 389.488 3.441 40 0 GGABLO COc1ccc(C(=O)NC2CC[NH+](CC(=O)Nc3c(C)cccc3C)CC2)cc1 ZINC000035312017 570467034 /nfs/dbraw/zinc/46/70/34/570467034.db2.gz OARUXFCBEZBEIC-UHFFFAOYSA-N 1 2 395.503 3.145 40 0 GGABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[NH+]3CCCC3)cc2c1 ZINC000000888856 570511368 /nfs/dbraw/zinc/51/13/68/570511368.db2.gz JTOACZYUGJPSLZ-IBGZPJMESA-N 1 2 378.480 3.123 40 0 GGABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[NH+]3CCCC3)cc12 ZINC000000894104 570512685 /nfs/dbraw/zinc/51/26/85/570512685.db2.gz HOMVGWSJLTZDSE-HXUWFJFHSA-N 1 2 392.507 3.432 40 0 GGABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[NH+]3CCCC3)cc2c1 ZINC000000893285 570512778 /nfs/dbraw/zinc/51/27/78/570512778.db2.gz PRMABONPYVBONN-HXUWFJFHSA-N 1 2 392.507 3.377 40 0 GGABLO Cc1noc(-c2ccc(C(=O)N3CC[NH+](Cc4ccccc4F)CC3)cc2)n1 ZINC000022964697 570519041 /nfs/dbraw/zinc/51/90/41/570519041.db2.gz YGMKEQHXXHYILG-UHFFFAOYSA-N 1 2 380.423 3.142 40 0 GGABLO Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCCCn1cc[nH+]c1 ZINC000224585341 570519493 /nfs/dbraw/zinc/51/94/93/570519493.db2.gz OZEMOCAKBKQALM-RGEXLXHISA-N 1 2 394.500 3.230 40 0 GGABLO COc1ccc([C@H]2c3[nH]c[nH+]c3CCN2CC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000036748601 570569704 /nfs/dbraw/zinc/56/97/04/570569704.db2.gz KMGPEXRQLAIBBX-MWTRTKDXSA-N 1 2 390.487 3.243 40 0 GGABLO C[C@@H]1CCC[C@@H](NC(=O)CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)[C@@H]1C ZINC000022917720 570573533 /nfs/dbraw/zinc/57/35/33/570573533.db2.gz MDOOZNIYCLJUBZ-MBOZVWFJSA-N 1 2 377.960 3.399 40 0 GGABLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)[C@@H]1C ZINC000022917720 570573535 /nfs/dbraw/zinc/57/35/35/570573535.db2.gz MDOOZNIYCLJUBZ-MBOZVWFJSA-N 1 2 377.960 3.399 40 0 GGABLO CCCn1c2ccccc2[nH+]c1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000001370969 570574950 /nfs/dbraw/zinc/57/49/50/570574950.db2.gz UDSOFZDXCNQLQP-UHFFFAOYSA-N 1 2 398.532 3.098 40 0 GGABLO CCc1nn2c(ncc(C(=O)N3CC[NH+](C)CC3)c2C)c1-c1ccc(Cl)cc1 ZINC000038829775 570584548 /nfs/dbraw/zinc/58/45/48/570584548.db2.gz XRFYQSOVJPAVQI-UHFFFAOYSA-N 1 2 397.910 3.308 40 0 GGABLO CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000225622796 570595809 /nfs/dbraw/zinc/59/58/09/570595809.db2.gz BHZPIERSXNEHPB-OAQYLSRUSA-N 1 2 378.513 3.322 40 0 GGABLO COc1ccc(NC(=O)C[NH+]2CCC3(CC2)CC(=O)c2ccccc2O3)cc1 ZINC000012113636 570609302 /nfs/dbraw/zinc/60/93/02/570609302.db2.gz TUJQRFBYAQZKFI-UHFFFAOYSA-N 1 2 380.444 3.134 40 0 GGABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)Nc2ccc(OC)nc2)CC1 ZINC000012116400 570611028 /nfs/dbraw/zinc/61/10/28/570611028.db2.gz JPLVSXZYCUQEAS-UHFFFAOYSA-N 1 2 379.464 3.315 40 0 GGABLO CCc1[nH+]c2ccccc2n1CC(=O)N1CCC(C(=O)c2nccs2)CC1 ZINC000012116047 570611085 /nfs/dbraw/zinc/61/10/85/570611085.db2.gz LVZKGOAXJAQVIU-UHFFFAOYSA-N 1 2 382.489 3.177 40 0 GGABLO Cn1c2ccccc2[nH+]c1N1CCC(C(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000012116303 570611174 /nfs/dbraw/zinc/61/11/74/570611174.db2.gz KMCMFMZOCQSVNE-UHFFFAOYSA-N 1 2 392.459 3.200 40 0 GGABLO Cn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NCCc2ccc(F)cc2)C1 ZINC000012116441 570611430 /nfs/dbraw/zinc/61/14/30/570611430.db2.gz SYNFTWUARZTPFP-KRWDZBQOSA-N 1 2 380.467 3.288 40 0 GGABLO CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000225738489 570611596 /nfs/dbraw/zinc/61/15/96/570611596.db2.gz XGOYVSRYCXYFFN-NRFANRHFSA-N 1 2 378.513 3.322 40 0 GGABLO CCc1nnc(NC(=O)[C@H]2CCCN(c3[nH+]c4ccccc4n3CC)C2)s1 ZINC000012145820 570616337 /nfs/dbraw/zinc/61/63/37/570616337.db2.gz NKHVYJAWSUUWPZ-ZDUSSCGKSA-N 1 2 384.509 3.325 40 0 GGABLO COc1cccc(CNC(=O)[C@H]2CCCN(c3[nH+]c4ccccc4n3C)C2)c1 ZINC000012145806 570616382 /nfs/dbraw/zinc/61/63/82/570616382.db2.gz ONXAIYFNIGOPQR-KRWDZBQOSA-N 1 2 378.476 3.115 40 0 GGABLO CN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000225781305 570616708 /nfs/dbraw/zinc/61/67/08/570616708.db2.gz MDNHYKKEONYYMN-UHFFFAOYSA-N 1 2 379.445 3.315 40 0 GGABLO Cc1nc(Cc2ccccc2)ncc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000225794907 570618023 /nfs/dbraw/zinc/61/80/23/570618023.db2.gz JPLXEVFLAQQJNX-UHFFFAOYSA-N 1 2 386.499 3.334 40 0 GGABLO COc1cccc(OC)c1C[N@@H+]1CC[C@H](c2cc3nc(C)c(C)c(=O)n3[nH]2)C1 ZINC000012255233 570631031 /nfs/dbraw/zinc/63/10/31/570631031.db2.gz UMFZTCNJUFDUMF-HNNXBMFYSA-N 1 2 382.464 3.058 40 0 GGABLO COc1cccc(OC)c1C[N@H+]1CC[C@H](c2cc3nc(C)c(C)c(=O)n3[nH]2)C1 ZINC000012255233 570631035 /nfs/dbraw/zinc/63/10/35/570631035.db2.gz UMFZTCNJUFDUMF-HNNXBMFYSA-N 1 2 382.464 3.058 40 0 GGABLO CCc1c(C)nc2cc([C@H]3CC[N@H+](Cc4cccc(OC)c4OC)C3)[nH]n2c1=O ZINC000012276404 570632303 /nfs/dbraw/zinc/63/23/03/570632303.db2.gz QJLZBHUNOXABEQ-HNNXBMFYSA-N 1 2 396.491 3.312 40 0 GGABLO CCc1c(C)nc2cc([C@H]3CC[N@@H+](Cc4cccc(OC)c4OC)C3)[nH]n2c1=O ZINC000012276404 570632305 /nfs/dbraw/zinc/63/23/05/570632305.db2.gz QJLZBHUNOXABEQ-HNNXBMFYSA-N 1 2 396.491 3.312 40 0 GGABLO CCc1c(C)nc2cc([C@@H]3CC[N@H+](Cc4cccc(OC)c4OC)C3)[nH]n2c1=O ZINC000012276403 570632399 /nfs/dbraw/zinc/63/23/99/570632399.db2.gz QJLZBHUNOXABEQ-OAHLLOKOSA-N 1 2 396.491 3.312 40 0 GGABLO CCc1c(C)nc2cc([C@@H]3CC[N@@H+](Cc4cccc(OC)c4OC)C3)[nH]n2c1=O ZINC000012276403 570632403 /nfs/dbraw/zinc/63/24/03/570632403.db2.gz QJLZBHUNOXABEQ-OAHLLOKOSA-N 1 2 396.491 3.312 40 0 GGABLO CC[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857027 570637238 /nfs/dbraw/zinc/63/72/38/570637238.db2.gz YSGBSMVEEVYGAK-FQEVSTJZSA-N 1 2 397.500 3.216 40 0 GGABLO O=C(C[NH+]1CCC(NC(=O)c2ccccc2F)CC1)Nc1ccc(Cl)cc1 ZINC000004909146 570647862 /nfs/dbraw/zinc/64/78/62/570647862.db2.gz SMEODLOQYBNVLL-UHFFFAOYSA-N 1 2 389.858 3.312 40 0 GGABLO Cc1cccc(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3Cl)CC2)c1 ZINC000004909120 570648020 /nfs/dbraw/zinc/64/80/20/570648020.db2.gz XFZHGLGVKSCEBI-UHFFFAOYSA-N 1 2 385.895 3.481 40 0 GGABLO Cc1ccccc1CSCC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000409027477 570694493 /nfs/dbraw/zinc/69/44/93/570694493.db2.gz DPZPFFFJSZQJGY-UHFFFAOYSA-N 1 2 398.528 3.301 40 0 GGABLO Cc1ncsc1C[NH+]1CC2(C1)C[C@H](CCOc1ncccc1F)CCO2 ZINC000248010773 570719605 /nfs/dbraw/zinc/71/96/05/570719605.db2.gz FVXMXGWPZXEECW-OAHLLOKOSA-N 1 2 377.485 3.436 40 0 GGABLO CCOC(=O)C1=C(C)N(C2CC2)C(=S)N[C@@H]1c1ccc(-n2cc[nH+]c2)cc1 ZINC000025071236 570722327 /nfs/dbraw/zinc/72/23/27/570722327.db2.gz NGFZDLMMGCKIST-GOSISDBHSA-N 1 2 382.489 3.103 40 0 GGABLO CCOC(=O)c1sc(NC(=O)C[NH+]2CCC(C)CC2)c(C(=O)OCC)c1C ZINC000003187679 570724182 /nfs/dbraw/zinc/72/41/82/570724182.db2.gz FMYXBDJWMCESQC-UHFFFAOYSA-N 1 2 396.509 3.080 40 0 GGABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(C)cc1 ZINC000261362630 570788122 /nfs/dbraw/zinc/78/81/22/570788122.db2.gz MJILAJYOMWZCNS-LJQANCHMSA-O 1 2 379.465 3.080 40 0 GGABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccccc1C ZINC000261362634 570788195 /nfs/dbraw/zinc/78/81/95/570788195.db2.gz MLDRIPCDBPYEJE-LJQANCHMSA-O 1 2 379.465 3.080 40 0 GGABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1ccccc1 ZINC000261366462 570789116 /nfs/dbraw/zinc/78/91/16/570789116.db2.gz ZXCLHVFLNGLJME-IBGZPJMESA-O 1 2 379.465 3.162 40 0 GGABLO Cn1ncc2c1nc[nH+]c2N1CCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000025570862 570791440 /nfs/dbraw/zinc/79/14/40/570791440.db2.gz HQOZBBOIMRYYQI-AWEZNQCLSA-N 1 2 391.262 3.278 40 0 GGABLO Cc1c(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)[nH]c2c1C(=O)CCC2 ZINC000022196229 570801592 /nfs/dbraw/zinc/80/15/92/570801592.db2.gz ZYNNKQIWYUHVPZ-LJQANCHMSA-N 1 2 380.423 3.234 40 0 GGABLO Cc1ccccc1NC(=O)C[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012470710 570807180 /nfs/dbraw/zinc/80/71/80/570807180.db2.gz OIDRXIJDPQIJNU-UHFFFAOYSA-N 1 2 394.471 3.300 40 0 GGABLO Cc1cccc(NC(=O)C[NH+]2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c1 ZINC000012470716 570807227 /nfs/dbraw/zinc/80/72/27/570807227.db2.gz UNQYBDBMTABQIW-UHFFFAOYSA-N 1 2 394.471 3.300 40 0 GGABLO O=C(C[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)Nc1ccccc1F ZINC000012470807 570807284 /nfs/dbraw/zinc/80/72/84/570807284.db2.gz KCPJYJAXNFJKRC-UHFFFAOYSA-N 1 2 398.434 3.130 40 0 GGABLO COc1cc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)cc(OC)c1C ZINC000012535117 570835195 /nfs/dbraw/zinc/83/51/95/570835195.db2.gz UCCJRVDNVHKNRY-IBGZPJMESA-N 1 2 383.423 3.404 40 0 GGABLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000012540796 570841487 /nfs/dbraw/zinc/84/14/87/570841487.db2.gz AWQBPNMYEDZQBR-UHFFFAOYSA-N 1 2 380.473 3.209 40 0 GGABLO CCOc1ccc(NC(=O)C[C@H]2[NH2+]CCc3c4ccccc4[nH]c3C2=O)cc1 ZINC000014162482 570878526 /nfs/dbraw/zinc/87/85/26/570878526.db2.gz HZMKQBYIPVHRFP-LJQANCHMSA-N 1 2 377.444 3.292 40 0 GGABLO Oc1ccc(-c2nnc(SCC[NH+]3CCOCC3)n2-c2ccccc2)cc1 ZINC000019374467 570924862 /nfs/dbraw/zinc/92/48/62/570924862.db2.gz KRIYCRYECLFLNM-UHFFFAOYSA-N 1 2 382.489 3.064 40 0 GGABLO c1cnc2ccc([C@H](c3nnnn3C3CCCC3)[NH+]3CCSCC3)cc2c1 ZINC000019346986 570925365 /nfs/dbraw/zinc/92/53/65/570925365.db2.gz LFTZSTJIDDZXHA-LJQANCHMSA-N 1 2 380.521 3.475 40 0 GGABLO C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023174865 570928645 /nfs/dbraw/zinc/92/86/45/570928645.db2.gz HOIYDKYHZSFSIW-MRXNPFEDSA-N 1 2 380.517 3.388 40 0 GGABLO Cc1ccc(C[N@@H+](Cc2nnc3n2c2ccsc2c(=O)n3C)C2CC2)cc1 ZINC000047280368 570952613 /nfs/dbraw/zinc/95/26/13/570952613.db2.gz MPJCLJVFPHMFCW-UHFFFAOYSA-N 1 2 379.489 3.116 40 0 GGABLO Cc1ccc(C[N@H+](Cc2nnc3n2c2ccsc2c(=O)n3C)C2CC2)cc1 ZINC000047280368 570952618 /nfs/dbraw/zinc/95/26/18/570952618.db2.gz MPJCLJVFPHMFCW-UHFFFAOYSA-N 1 2 379.489 3.116 40 0 GGABLO O=C(CN1CC[NH+](Cc2cc(F)cc3cccnc32)CC1)Nc1ccccc1 ZINC000025937240 571002208 /nfs/dbraw/zinc/00/22/08/571002208.db2.gz UXXBTFFOVJBDCU-UHFFFAOYSA-N 1 2 378.451 3.130 40 0 GGABLO CCn1c(C)[nH+]c2cc(NC(=O)c3sc(N4CCOCC4)nc3C)ccc21 ZINC000019657515 571023839 /nfs/dbraw/zinc/02/38/39/571023839.db2.gz ISSFUXVKYLGFAJ-UHFFFAOYSA-N 1 2 385.493 3.218 40 0 GGABLO Cc1ccc(C(=O)NCC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1C ZINC000012770339 571024288 /nfs/dbraw/zinc/02/42/88/571024288.db2.gz XQWXUEUJMVKDQQ-UHFFFAOYSA-N 1 2 386.521 3.114 40 0 GGABLO CC(C)[C@H](CNC(=O)c1cc(-c2ccccc2Cl)no1)[NH+]1CCOCC1 ZINC000019716756 571038725 /nfs/dbraw/zinc/03/87/25/571038725.db2.gz KOZZNTCNROGIRK-KRWDZBQOSA-N 1 2 377.872 3.082 40 0 GGABLO Cc1cccc(NC(=O)CNC(=O)C[N@H+](Cc2ccc(F)cc2)C2CC2)c1C ZINC000007789139 1398744302 /nfs/dbraw/zinc/74/43/02/1398744302.db2.gz GISLKQHHPDEKBE-UHFFFAOYSA-N 1 2 383.467 3.162 40 0 GGABLO Cc1cccc(NC(=O)CNC(=O)C[N@@H+](Cc2ccc(F)cc2)C2CC2)c1C ZINC000007789139 1398744308 /nfs/dbraw/zinc/74/43/08/1398744308.db2.gz GISLKQHHPDEKBE-UHFFFAOYSA-N 1 2 383.467 3.162 40 0 GGABLO O=C(NCCCn1cc[nH+]c1)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn21 ZINC000008021841 1398792586 /nfs/dbraw/zinc/79/25/86/1398792586.db2.gz QYPLWZVRVRAPJH-UHFFFAOYSA-N 1 2 390.418 3.331 40 0 GGABLO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1ccc2c(c1)OCO2 ZINC000008275878 1398819009 /nfs/dbraw/zinc/81/90/09/1398819009.db2.gz HVQDHGMSZPHJDR-KRWDZBQOSA-N 1 2 396.443 3.352 40 0 GGABLO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1ccc2c(c1)OCO2 ZINC000008275878 1398819012 /nfs/dbraw/zinc/81/90/12/1398819012.db2.gz HVQDHGMSZPHJDR-KRWDZBQOSA-N 1 2 396.443 3.352 40 0 GGABLO COc1ccccc1CC(=O)C[C@@H]1c2c(cc3c(c2OC)OCO3)CC[N@H+]1C ZINC000020111881 1399342758 /nfs/dbraw/zinc/34/27/58/1399342758.db2.gz NTZXVTSTIPJQBD-QGZVFWFLSA-N 1 2 383.444 3.163 40 0 biogenic GGABLO COc1ccccc1CC(=O)C[C@@H]1c2c(cc3c(c2OC)OCO3)CC[N@@H+]1C ZINC000020111881 1399342765 /nfs/dbraw/zinc/34/27/65/1399342765.db2.gz NTZXVTSTIPJQBD-QGZVFWFLSA-N 1 2 383.444 3.163 40 0 biogenic GGABLO Cc1cc(N2CCN([C@@H](C)C(=O)Nc3ccccc3C)CC2)nc(C(C)C)[nH+]1 ZINC000027545389 1400053717 /nfs/dbraw/zinc/05/37/17/1400053717.db2.gz MMVZKHUVTBAQDG-SFHVURJKSA-N 1 2 381.524 3.366 40 0 GGABLO COc1cccc(N2CC[NH+]([C@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)c1 ZINC000057406524 1407609455 /nfs/dbraw/zinc/60/94/55/1407609455.db2.gz QNCIJLUKILAEEK-OQOKOFKUSA-N 1 2 397.563 3.291 40 0 GGABLO Cc1c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2F)c(=O)n(-c2ccccc2)n1C ZINC000057530605 1407643934 /nfs/dbraw/zinc/64/39/34/1407643934.db2.gz WNLVKPRNNYMSRU-MRXNPFEDSA-N 1 2 396.466 3.083 40 0 GGABLO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2F)c(=O)n(-c2ccccc2)n1C ZINC000057530605 1407643937 /nfs/dbraw/zinc/64/39/37/1407643937.db2.gz WNLVKPRNNYMSRU-MRXNPFEDSA-N 1 2 396.466 3.083 40 0 GGABLO O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)Nc1cc(F)ccc1F ZINC000058069082 1407779334 /nfs/dbraw/zinc/77/93/34/1407779334.db2.gz HWWOLLSBXAHMRI-UHFFFAOYSA-N 1 2 379.451 3.018 40 0 GGABLO Cc1csc(C(=O)N2CC[NH+](CCn3ccnc3-c3ccccc3)CC2)c1 ZINC000077159308 1409893777 /nfs/dbraw/zinc/89/37/77/1409893777.db2.gz GELSBEDIQUMPMB-UHFFFAOYSA-N 1 2 380.517 3.378 40 0 GGABLO CCOc1ccc([C@H]([NH3+])c2nc(COc3ccc(F)cc3)n[nH]2)cc1OCC ZINC000095534548 1410315371 /nfs/dbraw/zinc/31/53/71/1410315371.db2.gz JWHAKASDYRKQDX-IBGZPJMESA-N 1 2 386.427 3.368 40 0 GGABLO CCOc1cc(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)ccc1O ZINC000199431372 1433352796 /nfs/dbraw/zinc/35/27/96/1433352796.db2.gz LQMAAUFTMDFIEK-FQEVSTJZSA-N 1 2 380.488 3.340 40 0 GGABLO CCOc1cc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)ccc1O ZINC000199431372 1433352800 /nfs/dbraw/zinc/35/28/00/1433352800.db2.gz LQMAAUFTMDFIEK-FQEVSTJZSA-N 1 2 380.488 3.340 40 0 GGABLO Nc1cc(-c2c[nH]nc2[C@H]2CCN(C(=O)c3cccc4cccnc43)C2)cc[nH+]1 ZINC000257303156 222772514 /nfs/dbraw/zinc/77/25/14/222772514.db2.gz SFZWPBBICZLRMP-INIZCTEOSA-N 1 2 384.443 3.232 40 0 GGABLO c1cncc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(-c4cncnc4)nc3)no2)c1 ZINC000049155326 291129662 /nfs/dbraw/zinc/12/96/62/291129662.db2.gz AQASORLJRBTVGD-IBGZPJMESA-N 1 2 385.431 3.321 40 0 biogenic,in-vitro GGABLO c1cncc(C[N@H+]2CCC[C@H]2c2nc(-c3ccc(-c4cncnc4)nc3)no2)c1 ZINC000049155326 291129663 /nfs/dbraw/zinc/12/96/63/291129663.db2.gz AQASORLJRBTVGD-IBGZPJMESA-N 1 2 385.431 3.321 40 0 biogenic,in-vitro GGABLO CCOC(=O)c1sc(NC(=O)C[N@H+](C)CCOc2ccccc2F)cc1C ZINC000010227787 212238742 /nfs/dbraw/zinc/23/87/42/212238742.db2.gz KBYRNDIINYTMTH-UHFFFAOYSA-N 1 2 394.468 3.322 40 0 GGABLO CCOC(=O)c1sc(NC(=O)C[N@@H+](C)CCOc2ccccc2F)cc1C ZINC000010227787 212238745 /nfs/dbraw/zinc/23/87/45/212238745.db2.gz KBYRNDIINYTMTH-UHFFFAOYSA-N 1 2 394.468 3.322 40 0 GGABLO COC(=O)c1ccc(NC(=O)C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000001336426 212237347 /nfs/dbraw/zinc/23/73/47/212237347.db2.gz CEHPPTMALDOXJM-UHFFFAOYSA-N 1 2 398.434 3.146 40 0 GGABLO COc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2nccs2)cc1 ZINC000001346655 212236860 /nfs/dbraw/zinc/23/68/60/212236860.db2.gz XXUZGKVKSCYCCA-UHFFFAOYSA-N 1 2 398.473 3.011 40 0 GGABLO O=C(c1ccccc1)N1CC[NH+](C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000019913308 212111219 /nfs/dbraw/zinc/11/12/19/212111219.db2.gz BLDVNLYLYXLSLP-JOCHJYFZSA-N 1 2 390.483 3.038 40 0 GGABLO C[C@@H]1CCCC[C@@H]1NC(=O)Cn1c(C[NH+]2CCCCC2)nc2ccccc2c1=O ZINC000000920468 220466050 /nfs/dbraw/zinc/46/60/50/220466050.db2.gz OMUGRPAXPCUJSF-MJGOQNOKSA-N 1 2 396.535 3.077 40 0 GGABLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)NC(=O)Nc2ccccc2)c(OC)c1 ZINC000007741918 221009390 /nfs/dbraw/zinc/00/93/90/221009390.db2.gz XCJCZTPTIPGPAR-GOSISDBHSA-N 1 2 383.448 3.189 40 0 GGABLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)NC(=O)Nc2ccccc2)c(OC)c1 ZINC000007741918 221009394 /nfs/dbraw/zinc/00/93/94/221009394.db2.gz XCJCZTPTIPGPAR-GOSISDBHSA-N 1 2 383.448 3.189 40 0 GGABLO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1ccc2c(c1)OCO2 ZINC000008275887 221034071 /nfs/dbraw/zinc/03/40/71/221034071.db2.gz HVQDHGMSZPHJDR-QGZVFWFLSA-N 1 2 396.443 3.352 40 0 GGABLO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1ccc2c(c1)OCO2 ZINC000008275887 221034073 /nfs/dbraw/zinc/03/40/73/221034073.db2.gz HVQDHGMSZPHJDR-QGZVFWFLSA-N 1 2 396.443 3.352 40 0 GGABLO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)NCCc1cccs1 ZINC000008401441 221040020 /nfs/dbraw/zinc/04/00/20/221040020.db2.gz HCFLKVJFURTUHC-UHFFFAOYSA-N 1 2 395.513 3.328 40 0 GGABLO COc1cc(/C=C/C(=O)OCc2cn3cc(C)ccc3[nH+]2)cc(OC)c1OC ZINC000008459071 221041837 /nfs/dbraw/zinc/04/18/37/221041837.db2.gz TUEAXHXDOANWNC-SOFGYWHQSA-N 1 2 382.416 3.425 40 0 GGABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)[NH+]1CCCC1 ZINC000008624732 221047318 /nfs/dbraw/zinc/04/73/18/221047318.db2.gz CBNQSAKMAHNIOE-SFHVURJKSA-N 1 2 380.496 3.153 40 0 GGABLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1ccc(F)cc1 ZINC000008705099 221050966 /nfs/dbraw/zinc/05/09/66/221050966.db2.gz KRVUOIDWSPTPDX-INIZCTEOSA-N 1 2 397.834 3.420 40 0 GGABLO Cc1cc(N2CCN(C(=O)c3cc(-c4ccccc4)n[nH]3)CC2)nc(C(C)C)[nH+]1 ZINC000011077599 221110267 /nfs/dbraw/zinc/11/02/67/221110267.db2.gz JCZCTSCJYSTRHQ-UHFFFAOYSA-N 1 2 390.491 3.261 40 0 GGABLO Cn1ncc2c1nc[nH+]c2SCc1nnc(-c2ccc(Br)o2)o1 ZINC000011678631 221120772 /nfs/dbraw/zinc/12/07/72/221120772.db2.gz ZSPVXSJNKCILQY-UHFFFAOYSA-N 1 2 393.226 3.061 40 0 GGABLO COc1ccc([C@@H](NC(=O)Cc2ccc(F)cc2)c2[nH+]ccn2C)cc1OC ZINC000012114949 221151748 /nfs/dbraw/zinc/15/17/48/221151748.db2.gz DECZUJGYUMEZAN-HXUWFJFHSA-N 1 2 383.423 3.025 40 0 GGABLO Cc1ccccc1CCNC(=O)C1CCN(c2[nH+]c3ccccc3n2C)CC1 ZINC000012116336 221151932 /nfs/dbraw/zinc/15/19/32/221151932.db2.gz YXBDJHWDYNYJGK-UHFFFAOYSA-N 1 2 376.504 3.457 40 0 GGABLO COc1ccc([C@@H](NC(=O)CCc2ccccc2)c2[nH+]ccn2C)cc1OC ZINC000012114939 221152022 /nfs/dbraw/zinc/15/20/22/221152022.db2.gz CDSNMWBFFYLSIM-OAQYLSRUSA-N 1 2 379.460 3.276 40 0 GGABLO Cc1cc(-c2cnc(C)nc2[C@H]2CCC[N@H+](CC(=O)Nc3nccs3)C2)on1 ZINC000012118474 221153459 /nfs/dbraw/zinc/15/34/59/221153459.db2.gz VKMHKSPEHDVAFV-AWEZNQCLSA-N 1 2 398.492 3.023 40 0 GGABLO Cc1cc(-c2cnc(C)nc2[C@H]2CCC[N@@H+](CC(=O)Nc3nccs3)C2)on1 ZINC000012118474 221153461 /nfs/dbraw/zinc/15/34/61/221153461.db2.gz VKMHKSPEHDVAFV-AWEZNQCLSA-N 1 2 398.492 3.023 40 0 GGABLO CCn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NCCc2ccc(O)cc2)C1 ZINC000012145845 221158443 /nfs/dbraw/zinc/15/84/43/221158443.db2.gz TYCXAPFLLQFPLN-GOSISDBHSA-N 1 2 392.503 3.337 40 0 GGABLO Cc1cc(C)n(C[C@@H](O)C[N@H+](Cc2ccco2)Cc2nc3ccccc3[nH]2)n1 ZINC000012147048 221159656 /nfs/dbraw/zinc/15/96/56/221159656.db2.gz QCZBXUJGYFXLOF-KRWDZBQOSA-N 1 2 379.464 3.033 40 0 GGABLO Cc1cc(C)n(C[C@@H](O)C[N@@H+](Cc2ccco2)Cc2nc3ccccc3[nH]2)n1 ZINC000012147048 221159660 /nfs/dbraw/zinc/15/96/60/221159660.db2.gz QCZBXUJGYFXLOF-KRWDZBQOSA-N 1 2 379.464 3.033 40 0 GGABLO CCOC(=O)C1(C[C@@H]2CC(c3ccccc3C)=NO2)CC[NH+](CC(C)=O)CC1 ZINC000012275227 221174986 /nfs/dbraw/zinc/17/49/86/221174986.db2.gz UOQUORZAACVIOO-SFHVURJKSA-N 1 2 386.492 3.112 40 0 GGABLO CCc1cc(=O)n2[nH]c([C@H]3CC[N@H+](Cc4ccc(OC)c(OC)c4)C3)cc2n1 ZINC000012276578 221175108 /nfs/dbraw/zinc/17/51/08/221175108.db2.gz NGILNXXXAYZKSK-HNNXBMFYSA-N 1 2 382.464 3.004 40 0 GGABLO CCc1cc(=O)n2[nH]c([C@H]3CC[N@@H+](Cc4ccc(OC)c(OC)c4)C3)cc2n1 ZINC000012276578 221175111 /nfs/dbraw/zinc/17/51/11/221175111.db2.gz NGILNXXXAYZKSK-HNNXBMFYSA-N 1 2 382.464 3.004 40 0 GGABLO CCOc1ncc(C2(O)CC[NH+](Cc3ccc(F)cc3F)CC2)c(OCC)n1 ZINC000012186404 221163925 /nfs/dbraw/zinc/16/39/25/221163925.db2.gz AOWJGWYQXARUCN-UHFFFAOYSA-N 1 2 393.434 3.036 40 0 GGABLO Cc1csc([C@@H](Cc2ccsc2)NC(=O)C[N@@H+](C)Cc2cccnc2)n1 ZINC000012227843 221170287 /nfs/dbraw/zinc/17/02/87/221170287.db2.gz NLXWZARYTJXAKN-QGZVFWFLSA-N 1 2 386.546 3.440 40 0 GGABLO Cc1csc([C@@H](Cc2ccsc2)NC(=O)C[N@H+](C)Cc2cccnc2)n1 ZINC000012227843 221170291 /nfs/dbraw/zinc/17/02/91/221170291.db2.gz NLXWZARYTJXAKN-QGZVFWFLSA-N 1 2 386.546 3.440 40 0 GGABLO CC(C)NC(=O)N[C@H]1C[C@@H](c2nc(-c3ccc4ccccc4c3)no2)[N@H+](C)C1 ZINC000012529904 221202964 /nfs/dbraw/zinc/20/29/64/221202964.db2.gz OJNGHEDXQRHHAN-ROUUACIJSA-N 1 2 379.464 3.343 40 0 biogenic,in-vitro GGABLO CC(C)NC(=O)N[C@H]1C[C@@H](c2nc(-c3ccc4ccccc4c3)no2)[N@@H+](C)C1 ZINC000012529904 221202966 /nfs/dbraw/zinc/20/29/66/221202966.db2.gz OJNGHEDXQRHHAN-ROUUACIJSA-N 1 2 379.464 3.343 40 0 biogenic,in-vitro GGABLO COc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)c4ccc(F)cc4)C[N@@H+]3C)n2)cc1 ZINC000012529910 221203132 /nfs/dbraw/zinc/20/31/32/221203132.db2.gz CSJATFGZGJUGJO-WMZOPIPTSA-N 1 2 396.422 3.060 40 0 biogenic,in-vitro GGABLO COc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)c4ccc(F)cc4)C[N@H+]3C)n2)cc1 ZINC000012529910 221203135 /nfs/dbraw/zinc/20/31/35/221203135.db2.gz CSJATFGZGJUGJO-WMZOPIPTSA-N 1 2 396.422 3.060 40 0 biogenic,in-vitro GGABLO Cc1ccccc1-n1c(SCC[NH+]2CCOCC2)nnc1-c1cccnc1 ZINC000012537344 221203834 /nfs/dbraw/zinc/20/38/34/221203834.db2.gz LMGVRXIYILKCHE-UHFFFAOYSA-N 1 2 381.505 3.062 40 0 GGABLO CNC(=O)C1CC[NH+](CC(=O)Nc2ccccc2Sc2ccccc2)CC1 ZINC000012971718 221250210 /nfs/dbraw/zinc/25/02/10/221250210.db2.gz GZXRCPUYSCUUCH-UHFFFAOYSA-N 1 2 383.517 3.234 40 0 GGABLO COc1ccc(C[N@H+](C)CC(=O)Nc2cccc(Cl)c2)c(OC)c1OC ZINC000013072772 221260300 /nfs/dbraw/zinc/26/03/00/221260300.db2.gz DLXCOFRIYYVWLD-UHFFFAOYSA-N 1 2 378.856 3.436 40 0 GGABLO COc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(Cl)c2)c(OC)c1OC ZINC000013072772 221260302 /nfs/dbraw/zinc/26/03/02/221260302.db2.gz DLXCOFRIYYVWLD-UHFFFAOYSA-N 1 2 378.856 3.436 40 0 GGABLO Cc1ccc(C)c(O[C@@H](C)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000013710538 221283310 /nfs/dbraw/zinc/28/33/10/221283310.db2.gz DFNDAYJASDSEOO-SFHVURJKSA-N 1 2 396.487 3.144 40 0 GGABLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)C1=Cc2ccccc2CC1)c1ccccc1 ZINC000014700579 221314130 /nfs/dbraw/zinc/31/41/30/221314130.db2.gz NHFTXOTZSSRDKJ-HXUWFJFHSA-N 1 2 379.485 3.416 40 0 GGABLO O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000015566304 221337619 /nfs/dbraw/zinc/33/76/19/221337619.db2.gz YZZOIPNTEJJCME-UHFFFAOYSA-N 1 2 380.473 3.290 40 0 GGABLO CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000015548677 221337871 /nfs/dbraw/zinc/33/78/71/221337871.db2.gz VLLXGMBEPAZYFW-INIZCTEOSA-N 1 2 377.535 3.381 40 0 GGABLO CC(C)(C)NC(=O)NC(=O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000015548677 221337874 /nfs/dbraw/zinc/33/78/74/221337874.db2.gz VLLXGMBEPAZYFW-INIZCTEOSA-N 1 2 377.535 3.381 40 0 GGABLO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1cc(=O)n2c(C)csc2n1 ZINC000016589972 221366155 /nfs/dbraw/zinc/36/61/55/221366155.db2.gz OGUCZGOQFNWSFU-UHFFFAOYSA-N 1 2 384.505 3.224 40 0 GGABLO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1cc(=O)n2c(C)csc2n1 ZINC000016589972 221366159 /nfs/dbraw/zinc/36/61/59/221366159.db2.gz OGUCZGOQFNWSFU-UHFFFAOYSA-N 1 2 384.505 3.224 40 0 GGABLO CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CC[N@@H+](CCOc1ccc(F)cc1)C2 ZINC000019017396 221393781 /nfs/dbraw/zinc/39/37/81/221393781.db2.gz DFHAYFIFIUNROA-OAQYLSRUSA-N 1 2 398.482 3.126 40 0 GGABLO CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CC[N@H+](CCOc1ccc(F)cc1)C2 ZINC000019017396 221393785 /nfs/dbraw/zinc/39/37/85/221393785.db2.gz DFHAYFIFIUNROA-OAQYLSRUSA-N 1 2 398.482 3.126 40 0 GGABLO CC(=O)N1CCc2nc([C@H]3CCCC[N@@H+]3CCOc3ccc(F)cc3)ncc2C1 ZINC000019018265 221394001 /nfs/dbraw/zinc/39/40/01/221394001.db2.gz FQMXYKWKRZQLFL-OAQYLSRUSA-N 1 2 398.482 3.126 40 0 GGABLO CC(=O)N1CCc2nc([C@H]3CCCC[N@H+]3CCOc3ccc(F)cc3)ncc2C1 ZINC000019018265 221394005 /nfs/dbraw/zinc/39/40/05/221394005.db2.gz FQMXYKWKRZQLFL-OAQYLSRUSA-N 1 2 398.482 3.126 40 0 GGABLO CCn1c(C)[nH+]c2cc(NC(=O)Cn3c(COC)nc4ccccc43)ccc21 ZINC000019656392 221436839 /nfs/dbraw/zinc/43/68/39/221436839.db2.gz IOSXBXOMBIJXML-UHFFFAOYSA-N 1 2 377.448 3.499 40 0 GGABLO CCn1cc(-c2cc(NCC3(c4cccc(C)c4)CCOCC3)nc(N)[nH+]2)cn1 ZINC000019717966 221446578 /nfs/dbraw/zinc/44/65/78/221446578.db2.gz AFCYCLLMKBYAAW-UHFFFAOYSA-N 1 2 392.507 3.411 40 0 GGABLO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)c1cncc(Br)c1 ZINC000040118875 132397599 /nfs/dbraw/zinc/39/75/99/132397599.db2.gz JGXDRLAACQORGP-UHFFFAOYSA-N 1 2 375.270 3.159 40 0 GGABLO CC[N@@H+]1CCn2c(-c3cccc(F)c3)cnc2C12CCN(c1ncccn1)CC2 ZINC000096144992 136184376 /nfs/dbraw/zinc/18/43/76/136184376.db2.gz GZTIROGGONADMY-UHFFFAOYSA-N 1 2 392.482 3.310 40 0 GGABLO CC[N@H+]1CCn2c(-c3cccc(F)c3)cnc2C12CCN(c1ncccn1)CC2 ZINC000096144992 136184377 /nfs/dbraw/zinc/18/43/77/136184377.db2.gz GZTIROGGONADMY-UHFFFAOYSA-N 1 2 392.482 3.310 40 0 GGABLO CN(C)c1nc(N2CCCCC2)[nH+]cc1NC(=O)c1ccc(Br)o1 ZINC000224356468 136206799 /nfs/dbraw/zinc/20/67/99/136206799.db2.gz OEKJSIDODIFYJH-UHFFFAOYSA-N 1 2 394.273 3.141 40 0 GGABLO CC[C@@H](c1nnnn1CCc1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000013505427 136201177 /nfs/dbraw/zinc/20/11/77/136201177.db2.gz XEJJELATQXZRNF-NRFANRHFSA-N 1 2 376.508 3.189 40 0 GGABLO COc1ccc2[nH]c(=O)c(CN(C)c3ccc([NH+]4CCC(O)CC4)cc3)cc2c1 ZINC000013564235 136201249 /nfs/dbraw/zinc/20/12/49/136201249.db2.gz ZOCZAAKXNZHOQY-UHFFFAOYSA-N 1 2 393.487 3.134 40 0 GGABLO CC(C)(C)n1nnnc1[C@H](c1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020139218 136202433 /nfs/dbraw/zinc/20/24/33/136202433.db2.gz DOMNLZNKLVREQG-FQEVSTJZSA-N 1 2 376.508 3.340 40 0 GGABLO CC(C)(C)n1nnnc1[C@H](c1ccccc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000020139229 136202485 /nfs/dbraw/zinc/20/24/85/136202485.db2.gz BJFPFKVWGNGHCY-FQEVSTJZSA-N 1 2 394.498 3.479 40 0 GGABLO O=C(c1cc(-c2ccc(Cl)cc2)on1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000032594205 221723855 /nfs/dbraw/zinc/72/38/55/221723855.db2.gz UERIXZHDOVENPU-UHFFFAOYSA-N 1 2 396.878 3.391 40 0 GGABLO CC[C@H](c1nnnn1C1CCCCC1)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000035290708 221814366 /nfs/dbraw/zinc/81/43/66/221814366.db2.gz RRSCSPWKLMLDMQ-HXUWFJFHSA-N 1 2 398.555 3.456 40 0 GGABLO CCCS(=O)(=O)c1ccccc1C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000057346065 222032657 /nfs/dbraw/zinc/03/26/57/222032657.db2.gz PBLZSNVJFJDHTN-UHFFFAOYSA-N 1 2 399.516 3.349 40 0 GGABLO Cn1c(CCc2[nH]c3ccccc3[nH+]2)nnc1SCC(=O)Nc1ccccc1 ZINC000057506301 222035297 /nfs/dbraw/zinc/03/52/97/222035297.db2.gz RILWZNSDHLEGSK-UHFFFAOYSA-N 1 2 392.488 3.207 40 0 GGABLO c1cc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(-c4cncnc4)nc3)no2)ccn1 ZINC000049155329 221997483 /nfs/dbraw/zinc/99/74/83/221997483.db2.gz OWLBYAKIEQTKRG-IBGZPJMESA-N 1 2 385.431 3.321 40 0 biogenic,in-vitro GGABLO c1cc(C[N@H+]2CCC[C@H]2c2nc(-c3ccc(-c4cncnc4)nc3)no2)ccn1 ZINC000049155329 221997488 /nfs/dbraw/zinc/99/74/88/221997488.db2.gz OWLBYAKIEQTKRG-IBGZPJMESA-N 1 2 385.431 3.321 40 0 biogenic,in-vitro GGABLO C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCc2sccc2C1 ZINC000057766456 222036152 /nfs/dbraw/zinc/03/61/52/222036152.db2.gz TYJCPMGIYKHJRY-BUBBNXEVSA-N 1 2 387.549 3.289 40 0 GGABLO C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCc2sccc2C1 ZINC000057766456 222036156 /nfs/dbraw/zinc/03/61/56/222036156.db2.gz TYJCPMGIYKHJRY-BUBBNXEVSA-N 1 2 387.549 3.289 40 0 GGABLO CC(C)Oc1ccccc1CC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000060301917 222059494 /nfs/dbraw/zinc/05/94/94/222059494.db2.gz SZXHIGXFNPCDAN-UHFFFAOYSA-N 1 2 381.520 3.402 40 0 GGABLO COc1ccc(S(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)cc1OC ZINC000068300461 222170602 /nfs/dbraw/zinc/17/06/02/222170602.db2.gz PLVRRHQMXVWDKR-UHFFFAOYSA-N 1 2 376.478 3.495 40 0 GGABLO CCOC(=O)[C@H](CC(=O)c1ccccc1)[NH2+]CCc1ccc(OC)c(OC)c1 ZINC000068606074 222171012 /nfs/dbraw/zinc/17/10/12/222171012.db2.gz SKMLOBYVHJTTIN-SFHVURJKSA-N 1 2 385.460 3.041 40 0 GGABLO CC(C)OCc1cccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000072264792 222218924 /nfs/dbraw/zinc/21/89/24/222218924.db2.gz VHFPRMLQLURZJV-UHFFFAOYSA-N 1 2 388.533 3.118 40 0 GGABLO COc1ccccc1-c1cc(C(=O)N2C[C@H](C)[N@H+](Cc3ccco3)C[C@@H]2C)[nH]n1 ZINC000072324259 222227327 /nfs/dbraw/zinc/22/73/27/222227327.db2.gz FLFMAYIZRWYQJQ-HOTGVXAUSA-N 1 2 394.475 3.413 40 0 GGABLO COc1ccccc1-c1cc(C(=O)N2C[C@H](C)[N@@H+](Cc3ccco3)C[C@@H]2C)[nH]n1 ZINC000072324259 222227331 /nfs/dbraw/zinc/22/73/31/222227331.db2.gz FLFMAYIZRWYQJQ-HOTGVXAUSA-N 1 2 394.475 3.413 40 0 GGABLO CCCSc1ncc(C[N@@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cn1 ZINC000072339914 222230181 /nfs/dbraw/zinc/23/01/81/222230181.db2.gz MURHEGQLYGLOKL-UHFFFAOYSA-N 1 2 394.504 3.095 40 0 GGABLO CCCSc1ncc(C[N@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cn1 ZINC000072339914 222230186 /nfs/dbraw/zinc/23/01/86/222230186.db2.gz MURHEGQLYGLOKL-UHFFFAOYSA-N 1 2 394.504 3.095 40 0 GGABLO COc1ccc(C2(C(=O)N[C@H](c3[nH+]ccn3C)c3ccccc3OC)CC2)cc1 ZINC000072346349 222233206 /nfs/dbraw/zinc/23/32/06/222233206.db2.gz IMEHEWHHMYEMOX-FQEVSTJZSA-N 1 2 391.471 3.375 40 0 GGABLO COc1ccc(C2(C(=O)N[C@@H](c3[nH+]ccn3C)c3ccccc3OC)CC2)cc1 ZINC000072346348 222233467 /nfs/dbraw/zinc/23/34/67/222233467.db2.gz IMEHEWHHMYEMOX-HXUWFJFHSA-N 1 2 391.471 3.375 40 0 GGABLO CCc1[nH+]ccn1-c1nccnc1C1CCN(C(=O)COc2ccccc2)CC1 ZINC000072350594 222237353 /nfs/dbraw/zinc/23/73/53/222237353.db2.gz MGTANLLQMZTLNU-UHFFFAOYSA-N 1 2 391.475 3.010 40 0 GGABLO O=C1NCC[N@@H+](Cc2cccc(F)c2)[C@@H]1Cc1cccc(-c2ccncc2)c1 ZINC000072351649 222237686 /nfs/dbraw/zinc/23/76/86/222237686.db2.gz BAQOTVAGCACQIZ-JOCHJYFZSA-N 1 2 375.447 3.431 40 0 GGABLO O=C1NCC[N@H+](Cc2cccc(F)c2)[C@@H]1Cc1cccc(-c2ccncc2)c1 ZINC000072351649 222237689 /nfs/dbraw/zinc/23/76/89/222237689.db2.gz BAQOTVAGCACQIZ-JOCHJYFZSA-N 1 2 375.447 3.431 40 0 GGABLO Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCC[N@@H+]2CC(=O)Nc2nccs2)n1 ZINC000072354670 222238106 /nfs/dbraw/zinc/23/81/06/222238106.db2.gz MDKCMZCUPUKNHY-HNNXBMFYSA-N 1 2 398.467 3.097 40 0 GGABLO Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCC[N@H+]2CC(=O)Nc2nccs2)n1 ZINC000072354670 222238107 /nfs/dbraw/zinc/23/81/07/222238107.db2.gz MDKCMZCUPUKNHY-HNNXBMFYSA-N 1 2 398.467 3.097 40 0 GGABLO COc1ccc(CCC(=O)N2CCC[C@@H](c3nccnc3-n3cc[nH+]c3)C2)cc1 ZINC000072350625 222238505 /nfs/dbraw/zinc/23/85/05/222238505.db2.gz LELIOMZZQGOBLZ-GOSISDBHSA-N 1 2 391.475 3.010 40 0 GGABLO O=C(Cc1c[nH]c2ccccc12)N1CCC(c2cncc(-n3cc[nH+]c3)n2)CC1 ZINC000072355356 222239745 /nfs/dbraw/zinc/23/97/45/222239745.db2.gz BUUDFDVGUATSLE-UHFFFAOYSA-N 1 2 386.459 3.092 40 0 GGABLO COc1ccc(CCC(=O)N2CCC[C@H](c3cncc(-n4cc[nH+]c4)n3)C2)cc1 ZINC000072355372 222239964 /nfs/dbraw/zinc/23/99/64/222239964.db2.gz UXIQHSLHXKKSJF-SFHVURJKSA-N 1 2 391.475 3.010 40 0 GGABLO COc1ccccc1Oc1nccnc1C1CC[NH+](Cc2nccn2C)CC1 ZINC000072362778 222240426 /nfs/dbraw/zinc/24/04/26/222240426.db2.gz SQGSUDHBBAZQBN-UHFFFAOYSA-N 1 2 379.464 3.391 40 0 GGABLO COc1ccccc1Oc1nccnc1[C@@H]1CCC[N@H+](Cc2nccn2C)C1 ZINC000072362774 222240553 /nfs/dbraw/zinc/24/05/53/222240553.db2.gz QPGXTCCJYIAZMR-MRXNPFEDSA-N 1 2 379.464 3.391 40 0 GGABLO COc1ccccc1Oc1nccnc1[C@@H]1CCC[N@@H+](Cc2nccn2C)C1 ZINC000072362774 222240556 /nfs/dbraw/zinc/24/05/56/222240556.db2.gz QPGXTCCJYIAZMR-MRXNPFEDSA-N 1 2 379.464 3.391 40 0 GGABLO CNc1nc([C@@H]2CCCN(C(=O)CC3CCCCC3)C2)nc2c1C[N@H+](C)CC2 ZINC000072372178 222242404 /nfs/dbraw/zinc/24/24/04/222242404.db2.gz HNFXQBDGMUDHMG-QGZVFWFLSA-N 1 2 385.556 3.183 40 0 GGABLO CNc1nc([C@@H]2CCCN(C(=O)CC3CCCCC3)C2)nc2c1C[N@@H+](C)CC2 ZINC000072372178 222242406 /nfs/dbraw/zinc/24/24/06/222242406.db2.gz HNFXQBDGMUDHMG-QGZVFWFLSA-N 1 2 385.556 3.183 40 0 GGABLO Cc1cc(-c2ccc(N)[nH+]c2)cc(C2CCN(C(=O)Cc3ccccn3)CC2)n1 ZINC000072374077 222243087 /nfs/dbraw/zinc/24/30/87/222243087.db2.gz QIOJWVBCVHPYPH-UHFFFAOYSA-N 1 2 387.487 3.378 40 0 GGABLO O=C(C[N@@H+]1CCC[C@H](c2cccc(Nc3ccccn3)n2)C1)Nc1nccs1 ZINC000072375964 222243264 /nfs/dbraw/zinc/24/32/64/222243264.db2.gz RMONIGWBODGUML-HNNXBMFYSA-N 1 2 394.504 3.495 40 0 GGABLO O=C(C[N@H+]1CCC[C@H](c2cccc(Nc3ccccn3)n2)C1)Nc1nccs1 ZINC000072375964 222243267 /nfs/dbraw/zinc/24/32/67/222243267.db2.gz RMONIGWBODGUML-HNNXBMFYSA-N 1 2 394.504 3.495 40 0 GGABLO CCN(CC)S(=O)(=O)N1CC[C@H](c2cc(Cc3ccccc3)cc(C)[nH+]2)C1 ZINC000072374757 222243480 /nfs/dbraw/zinc/24/34/80/222243480.db2.gz SJPUEAOGSBJOIC-FQEVSTJZSA-N 1 2 387.549 3.357 40 0 GGABLO Nc1nc(CCC(=O)N2CCC[C@@H]2c2ccc(-c3ccc(N)[nH+]c3)cn2)cs1 ZINC000072374115 222243509 /nfs/dbraw/zinc/24/35/09/222243509.db2.gz SROARSYZGGRQHK-QGZVFWFLSA-N 1 2 394.504 3.061 40 0 GGABLO COc1ccc(C[N@@H+]2CCC[C@@H](c3ccnc(Nc4ncccn4)n3)C2)cc1 ZINC000072377439 222244025 /nfs/dbraw/zinc/24/40/25/222244025.db2.gz ISMFODLWWRPBGW-QGZVFWFLSA-N 1 2 376.464 3.398 40 0 GGABLO COc1ccc(C[N@H+]2CCC[C@@H](c3ccnc(Nc4ncccn4)n3)C2)cc1 ZINC000072377439 222244030 /nfs/dbraw/zinc/24/40/30/222244030.db2.gz ISMFODLWWRPBGW-QGZVFWFLSA-N 1 2 376.464 3.398 40 0 GGABLO CC(C)c1[nH+]ccn1-c1cncc([C@@H]2CCCN2C(=O)Cc2cccnc2)n1 ZINC000072378578 222244583 /nfs/dbraw/zinc/24/45/83/222244583.db2.gz RQJBYKLFLNXESU-SFHVURJKSA-N 1 2 376.464 3.087 40 0 GGABLO CCc1[nH+]ccn1-c1cncc([C@@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 ZINC000072378478 222244596 /nfs/dbraw/zinc/24/45/96/222244596.db2.gz UTJMIIBMDYYNCF-SFHVURJKSA-N 1 2 379.439 3.270 40 0 GGABLO Cc1n[nH]cc1C(=O)N1CCC[C@@H](c2cccc(-n3cc[nH+]c3C(C)C)n2)C1 ZINC000072378999 222244627 /nfs/dbraw/zinc/24/46/27/222244627.db2.gz VRZBWQRRAQPSGV-MRXNPFEDSA-N 1 2 378.480 3.442 40 0 GGABLO COc1ccc(CC(=O)N2CCC(c3cccc(-n4cc[nH+]c4)n3)CC2)cc1 ZINC000072378847 222244933 /nfs/dbraw/zinc/24/49/33/222244933.db2.gz NBNQQKVWQQQFCF-UHFFFAOYSA-N 1 2 376.460 3.225 40 0 GGABLO CCC(=O)N1CCC[C@@H](c2[nH]c3ncccc3c2C[NH+]2CCN(C(C)C)CC2)C1 ZINC000072395287 222250444 /nfs/dbraw/zinc/25/04/44/222250444.db2.gz ZRJHCZQEOVJNDP-GOSISDBHSA-N 1 2 397.567 3.205 40 0 GGABLO CC(=O)c1ccc(Cl)cc1C[N@@H+]1CCc2nc(-c3cnccn3)[nH]c(=O)c2C1 ZINC000072397191 222254360 /nfs/dbraw/zinc/25/43/60/222254360.db2.gz QLKJHXHYPYWLMA-UHFFFAOYSA-N 1 2 395.850 3.054 40 0 GGABLO CC(=O)c1ccc(Cl)cc1C[N@H+]1CCc2nc(-c3cnccn3)[nH]c(=O)c2C1 ZINC000072397191 222254363 /nfs/dbraw/zinc/25/43/63/222254363.db2.gz QLKJHXHYPYWLMA-UHFFFAOYSA-N 1 2 395.850 3.054 40 0 GGABLO O=C(C[NH+]1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cc(F)ccc1F ZINC000077198071 222275626 /nfs/dbraw/zinc/27/56/26/222275626.db2.gz LDSNGPAVAFZTJF-UHFFFAOYSA-N 1 2 390.312 3.185 40 0 GGABLO CSc1ncc(C(=O)NCc2cn3c(cccc3C)[nH+]2)n1-c1ccccc1 ZINC000078772240 222297445 /nfs/dbraw/zinc/29/74/45/222297445.db2.gz RWUCWAIDYNCTSO-UHFFFAOYSA-N 1 2 377.473 3.480 40 0 GGABLO C[C@H](C(=O)N1CCc2ccccc21)[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000095950336 222362588 /nfs/dbraw/zinc/36/25/88/222362588.db2.gz GSKCAMDFDQFBQJ-QGZVFWFLSA-N 1 2 383.923 3.435 40 0 GGABLO C[C@H](C(=O)N1CCc2ccccc21)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000095950336 222362591 /nfs/dbraw/zinc/36/25/91/222362591.db2.gz GSKCAMDFDQFBQJ-QGZVFWFLSA-N 1 2 383.923 3.435 40 0 GGABLO Cc1nc(C[NH+]2CCC3(CC[C@H]3NS(=O)(=O)c3ccccc3)CC2)cs1 ZINC000096051631 222374659 /nfs/dbraw/zinc/37/46/59/222374659.db2.gz UCEUZCWQPZBMNI-GOSISDBHSA-N 1 2 391.562 3.175 40 0 GGABLO COCCN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@H+](Cc1ccc(Cl)cc1)C2 ZINC000096111934 222381264 /nfs/dbraw/zinc/38/12/64/222381264.db2.gz UOPZEAUUZLCMJE-HKUYNNGSSA-N 1 2 386.879 3.355 40 0 biogenic,in-vitro GGABLO COCCN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@@H+](Cc1ccc(Cl)cc1)C2 ZINC000096111934 222381266 /nfs/dbraw/zinc/38/12/66/222381266.db2.gz UOPZEAUUZLCMJE-HKUYNNGSSA-N 1 2 386.879 3.355 40 0 biogenic,in-vitro GGABLO COCCN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@H+](Cc1ccccc1Cl)C2 ZINC000096111933 222381454 /nfs/dbraw/zinc/38/14/54/222381454.db2.gz KDNOEDBLRYPKSM-LPHOPBHVSA-N 1 2 386.879 3.355 40 0 biogenic,in-vitro GGABLO COCCN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@@H+](Cc1ccccc1Cl)C2 ZINC000096111933 222381458 /nfs/dbraw/zinc/38/14/58/222381458.db2.gz KDNOEDBLRYPKSM-LPHOPBHVSA-N 1 2 386.879 3.355 40 0 biogenic,in-vitro GGABLO F[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)C[C@@H]1OCc1nc2ccccc2[nH]1 ZINC000096112190 222382058 /nfs/dbraw/zinc/38/20/58/222382058.db2.gz HIMROJUCPLVJCM-QRWLVFNGSA-N 1 2 383.423 3.073 40 0 biogenic,in-vitro GGABLO F[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)C[C@@H]1OCc1nc2ccccc2[nH]1 ZINC000096112190 222382061 /nfs/dbraw/zinc/38/20/61/222382061.db2.gz HIMROJUCPLVJCM-QRWLVFNGSA-N 1 2 383.423 3.073 40 0 biogenic,in-vitro GGABLO Fc1ccc2[nH]c(CO[C@H]3C[N@@H+](Cc4ccc5c(c4)OCO5)C[C@H]3F)nc2c1 ZINC000096112224 222382374 /nfs/dbraw/zinc/38/23/74/222382374.db2.gz VQSHQACHEFSSJN-KUHUBIRLSA-N 1 2 387.386 3.170 40 0 biogenic,in-vitro GGABLO Fc1ccc2[nH]c(CO[C@H]3C[N@H+](Cc4ccc5c(c4)OCO5)C[C@H]3F)nc2c1 ZINC000096112224 222382376 /nfs/dbraw/zinc/38/23/76/222382376.db2.gz VQSHQACHEFSSJN-KUHUBIRLSA-N 1 2 387.386 3.170 40 0 biogenic,in-vitro GGABLO CCCNC(=O)[C@H]1C[C@]2(CO1)c1ccccc1C[N@H+]2Cc1cccc(OC)c1 ZINC000096143944 222387653 /nfs/dbraw/zinc/38/76/53/222387653.db2.gz FMINFBFJULTWQC-GGAORHGYSA-N 1 2 380.488 3.221 40 0 GGABLO CCCNC(=O)[C@H]1C[C@]2(CO1)c1ccccc1C[N@@H+]2Cc1cccc(OC)c1 ZINC000096143944 222387656 /nfs/dbraw/zinc/38/76/56/222387656.db2.gz FMINFBFJULTWQC-GGAORHGYSA-N 1 2 380.488 3.221 40 0 GGABLO CC(C)c1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)nc(N2CCCC2)n1 ZINC000096192599 222396680 /nfs/dbraw/zinc/39/66/80/222396680.db2.gz BHXFUJCOYLAOTN-UHFFFAOYSA-N 1 2 393.535 3.158 40 0 GGABLO COc1ccc([C@H](NC(=O)[C@H](C)Oc2ccc(C)cc2)c2[nH+]ccn2C)cc1 ZINC000009156865 525369452 /nfs/dbraw/zinc/36/94/52/525369452.db2.gz GKNSKOUCTKDUPG-JXFKEZNVSA-N 1 2 379.460 3.410 40 0 GGABLO CCC[C@H](c1nnnn1C1CCCC1)[NH+]1CCN(c2ccccc2OC)CC1 ZINC000057669578 535722110 /nfs/dbraw/zinc/72/21/10/535722110.db2.gz AICRRZABQMKHJX-LJQANCHMSA-N 1 2 384.528 3.460 40 0 GGABLO COc1ccc2c(c1)cc(C[NH2+]c1ccc(N3CCC[C@H](O)C3)cc1)c(=O)n2C ZINC000013564247 537015448 /nfs/dbraw/zinc/01/54/48/537015448.db2.gz ZZUPBDGZNULFQI-FQEVSTJZSA-N 1 2 393.487 3.120 40 0 GGABLO COc1ccc2cc(CNc3ccc([NH+]4CCC(O)CC4)cc3)c(=O)[nH]c2c1 ZINC000072396149 537034951 /nfs/dbraw/zinc/03/49/51/537034951.db2.gz PESKMTMVCAHICW-UHFFFAOYSA-N 1 2 379.460 3.110 40 0 GGABLO C[C@H](O)c1onc(-c2ccccc2)c1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000225439643 560042750 /nfs/dbraw/zinc/04/27/50/560042750.db2.gz SDYIEKSRCOTVJE-KRWDZBQOSA-N 1 2 391.471 3.353 40 0 biogenic,in-vitro GGABLO COc1ccc2oc(=O)cc(C[NH+]3CCN(Cc4ccc(F)cc4)CC3)c2c1 ZINC000020353144 560091995 /nfs/dbraw/zinc/09/19/95/560091995.db2.gz BFKZQWOYQFSDDO-UHFFFAOYSA-N 1 2 382.435 3.259 40 0 biogenic,in-vitro GGABLO Cc1cc(C[NH+]2CCN(CC(=O)Nc3cc(Cl)ccc3Cl)CC2)on1 ZINC000022250947 564315113 /nfs/dbraw/zinc/31/51/13/564315113.db2.gz FADKGLRFJUDUJO-UHFFFAOYSA-N 1 2 383.279 3.046 40 0 GGABLO O=C1Nc2ccc(Br)cc2[C@@]12[NH2+]CCc1c3cc(F)ccc3[nH]c12 ZINC000022388072 564316338 /nfs/dbraw/zinc/31/63/38/564316338.db2.gz HZZMOQVYUZNCLR-SFHVURJKSA-N 1 2 386.224 3.411 40 0 GGABLO O=C1Nc2ccc(Br)cc2[C@]12[NH2+]CCc1c3cc(F)ccc3[nH]c12 ZINC000022388069 564316357 /nfs/dbraw/zinc/31/63/57/564316357.db2.gz HZZMOQVYUZNCLR-GOSISDBHSA-N 1 2 386.224 3.411 40 0 GGABLO O=S(=O)(NCc1ccc(N2CCCC2)[nH+]c1)c1cccc(Cl)c1Cl ZINC000028041002 564358604 /nfs/dbraw/zinc/35/86/04/564358604.db2.gz VEWSKAOCKKEDPZ-UHFFFAOYSA-N 1 2 386.304 3.467 40 0 GGABLO Cc1noc(C)c1S(=O)(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000047213412 564515597 /nfs/dbraw/zinc/51/55/97/564515597.db2.gz FDHPVMGUNWRRDU-INIZCTEOSA-N 1 2 383.901 3.060 40 0 GGABLO Cc1ncc(C[N@@H+]2CCO[C@H](c3cc(C(=O)N(C)C)c4ccccc4n3)C2)s1 ZINC000019762247 570216802 /nfs/dbraw/zinc/21/68/02/570216802.db2.gz NNLPUMQAUYICMJ-FQEVSTJZSA-N 1 2 396.516 3.275 40 0 GGABLO Cc1ncc(C[N@H+]2CCO[C@H](c3cc(C(=O)N(C)C)c4ccccc4n3)C2)s1 ZINC000019762247 570216806 /nfs/dbraw/zinc/21/68/06/570216806.db2.gz NNLPUMQAUYICMJ-FQEVSTJZSA-N 1 2 396.516 3.275 40 0 GGABLO O=C(Cc1ccc(Cl)cc1)Nc1nc2ccccc2n1CC[NH+]1CCOCC1 ZINC000032501868 570217542 /nfs/dbraw/zinc/21/75/42/570217542.db2.gz XJPBOTAZFUIVJB-UHFFFAOYSA-N 1 2 398.894 3.203 40 0 GGABLO Cc1csc(Nc2cc([C@@H]3CCN(C(=O)C=Cc4c[nH]c[nH+]4)C3)nc(C)n2)n1 ZINC000585291833 570260792 /nfs/dbraw/zinc/26/07/92/570260792.db2.gz TZMJZNGZRLAUBM-RDFMZFSFSA-N 1 2 395.492 3.046 40 0 GGABLO COc1ccc([C@H](C)NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1OC ZINC000020482523 570261785 /nfs/dbraw/zinc/26/17/85/570261785.db2.gz JPAQMJLLLNTPRF-INIZCTEOSA-N 1 2 384.476 3.027 40 0 GGABLO O=C(CN1C(=O)c2cccc3cccc1c23)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020493469 570263512 /nfs/dbraw/zinc/26/35/12/570263512.db2.gz LFXMMSBVRMJGEF-UHFFFAOYSA-N 1 2 382.423 3.302 40 0 GGABLO CCc1cc(=O)n2[nH]c([C@@H]3CC[N@H+](Cc4ccc(OCCOC)cc4)C3)cc2n1 ZINC000100727505 570275425 /nfs/dbraw/zinc/27/54/25/570275425.db2.gz UUZNHPMIWDJXIC-QGZVFWFLSA-N 1 2 396.491 3.012 40 0 GGABLO CCc1cc(=O)n2[nH]c([C@@H]3CC[N@@H+](Cc4ccc(OCCOC)cc4)C3)cc2n1 ZINC000100727505 570275429 /nfs/dbraw/zinc/27/54/29/570275429.db2.gz UUZNHPMIWDJXIC-QGZVFWFLSA-N 1 2 396.491 3.012 40 0 GGABLO COc1cccc(C[NH2+][C@H](C)c2cc(=O)n3[nH]c(C4CCOCC4)cc3n2)c1 ZINC000100769425 570277352 /nfs/dbraw/zinc/27/73/52/570277352.db2.gz SYOCBZXYPYPGJE-CQSZACIVSA-N 1 2 382.464 3.188 40 0 GGABLO COc1cc(C[N@@H+]2CCc3nc4cc(C)[nH]n4c(=O)c3CC2)ccc1OC(C)C ZINC000100775117 570277751 /nfs/dbraw/zinc/27/77/51/570277751.db2.gz QOBBXHUMISVOOU-UHFFFAOYSA-N 1 2 396.491 3.140 40 0 GGABLO COc1cc(C[N@H+]2CCc3nc4cc(C)[nH]n4c(=O)c3CC2)ccc1OC(C)C ZINC000100775117 570277754 /nfs/dbraw/zinc/27/77/54/570277754.db2.gz QOBBXHUMISVOOU-UHFFFAOYSA-N 1 2 396.491 3.140 40 0 GGABLO COc1cc2c(cc1OC)C[N@@H+]([C@@H]1CC(=O)N(c3ccc(C)c(C)c3)C1=O)CC2 ZINC000102332013 570288552 /nfs/dbraw/zinc/28/85/52/570288552.db2.gz BAMQWIQXBHLQFR-LJQANCHMSA-N 1 2 394.471 3.011 40 0 GGABLO COc1cc2c(cc1OC)C[N@H+]([C@@H]1CC(=O)N(c3ccc(C)c(C)c3)C1=O)CC2 ZINC000102332013 570288554 /nfs/dbraw/zinc/28/85/54/570288554.db2.gz BAMQWIQXBHLQFR-LJQANCHMSA-N 1 2 394.471 3.011 40 0 GGABLO O=C(CNC(=O)c1ccc(Cl)cc1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000024769029 570293150 /nfs/dbraw/zinc/29/31/50/570293150.db2.gz LCIDXPTVTDPHHQ-UHFFFAOYSA-N 1 2 392.912 3.151 40 0 GGABLO CCCCNC(=O)c1ccccc1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000216416648 570300865 /nfs/dbraw/zinc/30/08/65/570300865.db2.gz DPONWGKPXUQGMF-UHFFFAOYSA-N 1 2 395.503 3.301 40 0 GGABLO COc1ccc(C[NH+]2CCN([C@@H](C)C(=O)Nc3ccc(C)cc3)CC2)cc1OC ZINC000022095576 570305705 /nfs/dbraw/zinc/30/57/05/570305705.db2.gz CHSAYDBKVNWUEY-SFHVURJKSA-N 1 2 397.519 3.157 40 0 GGABLO COc1ccc(OC)c(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000022251097 570310596 /nfs/dbraw/zinc/31/05/96/570310596.db2.gz BWFXWWCUUNBBGD-RMKNXTFCSA-N 1 2 380.488 3.104 40 0 GGABLO O=C1c2ccccc2N[C@@H](c2ccc(F)cc2F)N1CCC[NH+]1CCOCC1 ZINC000024830559 570310658 /nfs/dbraw/zinc/31/06/58/570310658.db2.gz SXWPFHDYNMWXLM-HXUWFJFHSA-N 1 2 387.430 3.254 40 0 GGABLO O=C(NC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000022388330 570315713 /nfs/dbraw/zinc/31/57/13/570315713.db2.gz SKALEHPHFXDNPT-UHFFFAOYSA-N 1 2 389.908 3.299 40 0 GGABLO COc1cc2c(cc1OC)C[N@@H+]([C@H]1CC(=O)N(c3ccc(C)cc3C)C1=O)CC2 ZINC000022609392 570323287 /nfs/dbraw/zinc/32/32/87/570323287.db2.gz FEVMRZQZOPKIOU-IBGZPJMESA-N 1 2 394.471 3.011 40 0 GGABLO COc1cc2c(cc1OC)C[N@H+]([C@H]1CC(=O)N(c3ccc(C)cc3C)C1=O)CC2 ZINC000022609392 570323291 /nfs/dbraw/zinc/32/32/91/570323291.db2.gz FEVMRZQZOPKIOU-IBGZPJMESA-N 1 2 394.471 3.011 40 0 GGABLO CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000023911159 570339069 /nfs/dbraw/zinc/33/90/69/570339069.db2.gz BLIKBJSRSLVOHI-UHFFFAOYSA-N 1 2 396.491 3.387 40 0 GGABLO CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000408575864 570342751 /nfs/dbraw/zinc/34/27/51/570342751.db2.gz LHWUAKMBLTVYGK-UHFFFAOYSA-N 1 2 395.503 3.299 40 0 GGABLO COc1ccc(CCC(=O)N2CC[NH+](Cc3cc(C)ccc3OC)CC2)cc1 ZINC000024082099 570345331 /nfs/dbraw/zinc/34/53/31/570345331.db2.gz ZIHPCDFAJGDJNZ-UHFFFAOYSA-N 1 2 382.504 3.289 40 0 GGABLO CC[C@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)c1ccc(OC)c(OC)c1 ZINC000219247734 570350385 /nfs/dbraw/zinc/35/03/85/570350385.db2.gz AVSLNRIKRCETFB-FQEVSTJZSA-N 1 2 398.503 3.417 40 0 GGABLO Cc1ccc([C@@H](c2nnnn2CCc2ccccc2)[NH+]2CCSCC2)cc1 ZINC000057675045 570364925 /nfs/dbraw/zinc/36/49/25/570364925.db2.gz ONDBOJRMDBRDNH-FQEVSTJZSA-N 1 2 379.533 3.362 40 0 GGABLO Cc1ccc([C@H](c2nnnn2CCc2ccccc2)[NH+]2CCSCC2)cc1 ZINC000057675046 570365274 /nfs/dbraw/zinc/36/52/74/570365274.db2.gz ONDBOJRMDBRDNH-HXUWFJFHSA-N 1 2 379.533 3.362 40 0 GGABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000057669892 570367594 /nfs/dbraw/zinc/36/75/94/570367594.db2.gz PRCXEAIKTNTZLX-IBGZPJMESA-N 1 2 386.544 3.346 40 0 GGABLO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057670265 570367964 /nfs/dbraw/zinc/36/79/64/570367964.db2.gz UQMUDMJIAPHPJV-FPOVZHCZSA-N 1 2 398.555 3.132 40 0 GGABLO Cc1ccc(C)c(N2CC[NH+]([C@@H](c3nnnn3Cc3ccco3)C(C)C)CC2)c1 ZINC000057671171 570368221 /nfs/dbraw/zinc/36/82/21/570368221.db2.gz UWMKOHBOYKGTDR-OAQYLSRUSA-N 1 2 394.523 3.451 40 0 GGABLO Cc1ccc(C)c(N2CC[NH+]([C@H](c3nnnn3Cc3ccco3)C(C)C)CC2)c1 ZINC000057671181 570368775 /nfs/dbraw/zinc/36/87/75/570368775.db2.gz UWMKOHBOYKGTDR-NRFANRHFSA-N 1 2 394.523 3.451 40 0 GGABLO CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000022691998 570374105 /nfs/dbraw/zinc/37/41/05/570374105.db2.gz TXUGTWLTYSXFDO-IBGZPJMESA-N 1 2 391.581 3.113 40 0 GGABLO COc1ccc(C[NH+]2CCN(C(=O)c3cc4c(c(Cl)c3)OCO4)CC2)cc1 ZINC000024118823 570379277 /nfs/dbraw/zinc/37/92/77/570379277.db2.gz ZHXCRLRHXVHPPC-UHFFFAOYSA-N 1 2 388.851 3.035 40 0 GGABLO COc1ccc(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1OC ZINC000023379493 570394128 /nfs/dbraw/zinc/39/41/28/570394128.db2.gz AQZSWZCJDCXPJN-RMKNXTFCSA-N 1 2 380.488 3.104 40 0 GGABLO Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCn2cc[nH+]c2)cc1C ZINC000005027684 570399951 /nfs/dbraw/zinc/39/99/51/570399951.db2.gz SYMOOSSBHLSQQS-ZHZULCJRSA-N 1 2 392.459 3.070 40 0 GGABLO Cc1cc2nc(N3CC[NH+](Cc4csc(C)n4)CC3)c3ccccc3n2n1 ZINC000026700327 570425444 /nfs/dbraw/zinc/42/54/44/570425444.db2.gz VCEZTKJXYIYRHL-UHFFFAOYSA-N 1 2 378.505 3.278 40 0 GGABLO C[C@H]1Cc2cccc3c2n1cc(C(=O)N1CC[NH+](Cc2ccccc2)CC1)c3=O ZINC000223096368 570443215 /nfs/dbraw/zinc/44/32/15/570443215.db2.gz HDQZVGMNILXRAF-KRWDZBQOSA-N 1 2 387.483 3.077 40 0 GGABLO C[C@@H]1Cc2cccc3c2n1cc(C(=O)N1CC[NH+](Cc2ccccc2)CC1)c3=O ZINC000223096318 570443246 /nfs/dbraw/zinc/44/32/46/570443246.db2.gz HDQZVGMNILXRAF-QGZVFWFLSA-N 1 2 387.483 3.077 40 0 GGABLO O=C(COc1cccc2cccnc21)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000223136879 570445761 /nfs/dbraw/zinc/44/57/61/570445761.db2.gz YXLYARTZDQAOFC-RMKNXTFCSA-N 1 2 387.483 3.471 40 0 GGABLO Cc1cccc(-n2c(SCC[NH+]3CCOCC3)nnc2-c2cccnc2)c1C ZINC000035313740 570468110 /nfs/dbraw/zinc/46/81/10/570468110.db2.gz JVSPNKRGLVMZLO-UHFFFAOYSA-N 1 2 395.532 3.370 40 0 GGABLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 ZINC000035313619 570468273 /nfs/dbraw/zinc/46/82/73/570468273.db2.gz AAJBKKNJMJTQRX-UHFFFAOYSA-N 1 2 380.444 3.257 40 0 GGABLO COc1cc2c(cc1S(=O)(=O)NCc1ccc(-n3cc[nH+]c3)cc1)CCCC2 ZINC000224072464 570497199 /nfs/dbraw/zinc/49/71/99/570497199.db2.gz HBIPATFQGZVJJD-UHFFFAOYSA-N 1 2 397.500 3.238 40 0 GGABLO CC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000027076161 570501549 /nfs/dbraw/zinc/50/15/49/570501549.db2.gz GXCSIUNHINIJHW-FUMNGEBKSA-N 1 2 392.842 3.444 40 0 GGABLO CC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000027076161 570501553 /nfs/dbraw/zinc/50/15/53/570501553.db2.gz GXCSIUNHINIJHW-FUMNGEBKSA-N 1 2 392.842 3.444 40 0 GGABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)[NH+]1CCCC1 ZINC000000909808 570517579 /nfs/dbraw/zinc/51/75/79/570517579.db2.gz YTYCIFFWHVOSCH-LJQANCHMSA-N 1 2 394.523 3.462 40 0 GGABLO CC(C)(C)c1cc(CCC(=O)NCC[NH+]2CCOCC2)cc(C(C)(C)C)c1O ZINC000022690131 570528139 /nfs/dbraw/zinc/52/81/39/570528139.db2.gz WTEQPYPQZFWTDR-UHFFFAOYSA-N 1 2 390.568 3.368 40 0 GGABLO CCn1c2ccc(NC(=O)c3ccc(C[NH+]4CCOCC4)cc3)cc2sc1=O ZINC000225076524 570547536 /nfs/dbraw/zinc/54/75/36/570547536.db2.gz TVTHECVLBRJDGX-UHFFFAOYSA-N 1 2 397.500 3.167 40 0 GGABLO Cc1cc(OC(=O)c2cc3ccccc3oc2=O)c(C)cc1C[NH+]1CCOCC1 ZINC000036627493 570566146 /nfs/dbraw/zinc/56/61/46/570566146.db2.gz FTHYIVFVBOIRCK-UHFFFAOYSA-N 1 2 393.439 3.461 40 0 GGABLO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)NCc1cccs1 ZINC000001346271 570572293 /nfs/dbraw/zinc/57/22/93/570572293.db2.gz XILWKNUTNVLTLC-UHFFFAOYSA-N 1 2 381.486 3.286 40 0 GGABLO O=C(CN1CC[NH+](Cc2ccc(Cl)cc2)CC1)Nc1cc(F)ccc1F ZINC000022917483 570573499 /nfs/dbraw/zinc/57/34/99/570573499.db2.gz IMMVEFCALMKGGC-UHFFFAOYSA-N 1 2 379.838 3.375 40 0 GGABLO Cc1nn2c(ncc(C(=O)N3CC[NH+](C)CC3)c2C)c1-c1cccc(Cl)c1 ZINC000038829648 570584105 /nfs/dbraw/zinc/58/41/05/570584105.db2.gz GOPOBSUGVBGODH-UHFFFAOYSA-N 1 2 383.883 3.054 40 0 GGABLO CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000225622817 570595690 /nfs/dbraw/zinc/59/56/90/570595690.db2.gz BHZPIERSXNEHPB-NRFANRHFSA-N 1 2 378.513 3.322 40 0 GGABLO CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000225688610 570603224 /nfs/dbraw/zinc/60/32/24/570603224.db2.gz SQEOEFQJKUWHPU-NRFANRHFSA-N 1 2 378.513 3.177 40 0 GGABLO Cn1c2ccccc2[nH+]c1N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000004083242 570615121 /nfs/dbraw/zinc/61/51/21/570615121.db2.gz HACUNDVGSANECW-UHFFFAOYSA-N 1 2 378.520 3.438 40 0 GGABLO O=C(c1snnc1-c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000225780821 570616869 /nfs/dbraw/zinc/61/68/69/570616869.db2.gz GZWBSHBYKVETGD-UHFFFAOYSA-N 1 2 382.464 3.302 40 0 GGABLO Cc1ccccc1CSCCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000044884415 570638590 /nfs/dbraw/zinc/63/85/90/570638590.db2.gz OMQJMIBDHVPYBT-UHFFFAOYSA-N 1 2 384.545 3.490 40 0 GGABLO Cc1cc(-n2c(C)cc(C(=O)C[NH+]3CCN(c4ccccc4)CC3)c2C)no1 ZINC000036386061 570656299 /nfs/dbraw/zinc/65/62/99/570656299.db2.gz OKIPJWOYEMJPKY-UHFFFAOYSA-N 1 2 378.476 3.395 40 0 GGABLO c1ccc2c(c1)nc1n2[C@H]([C@H]2CC=CCC2)NC2=[NH+]CN(Cc3cccnc3)CN12 ZINC000059620028 570657284 /nfs/dbraw/zinc/65/72/84/570657284.db2.gz OTHILNUNGWMROG-GHTZIAJQSA-N 1 2 399.502 3.483 40 0 GGABLO c1ccc2c(c1)nc1n2[C@@H]([C@H]2CC=CCC2)NC2=[NH+]CN(Cc3cccnc3)CN12 ZINC000059620031 570657448 /nfs/dbraw/zinc/65/74/48/570657448.db2.gz OTHILNUNGWMROG-RXVVDRJESA-N 1 2 399.502 3.483 40 0 GGABLO Cc1ncsc1C[NH+]1CC2(C1)C[C@@H](CCOc1ncccc1F)CCO2 ZINC000248010768 570719726 /nfs/dbraw/zinc/71/97/26/570719726.db2.gz FVXMXGWPZXEECW-HNNXBMFYSA-N 1 2 377.485 3.436 40 0 GGABLO COc1ccc(C[NH+]2CCN(C(=O)CCOc3cccc(C)c3)CC2)cc1OC ZINC000012844727 570723902 /nfs/dbraw/zinc/72/39/02/570723902.db2.gz AXKMHDDAXDYAQI-UHFFFAOYSA-N 1 2 398.503 3.126 40 0 GGABLO COc1ccc(-c2cccc([C@H]3C[N@H+](Cc4cn(C)nc4C)CCO3)n2)cc1 ZINC000257210637 570761012 /nfs/dbraw/zinc/76/10/12/570761012.db2.gz BVNVJQXMRYEPDZ-JOCHJYFZSA-N 1 2 378.476 3.373 40 0 GGABLO COc1ccc(-c2cccc([C@H]3C[N@@H+](Cc4cn(C)nc4C)CCO3)n2)cc1 ZINC000257210637 570761016 /nfs/dbraw/zinc/76/10/16/570761016.db2.gz BVNVJQXMRYEPDZ-JOCHJYFZSA-N 1 2 378.476 3.373 40 0 GGABLO Cc1[nH+]cc(-c2ccc(C[C@H]3CCCN(C(=O)c4ccncc4)C3)cn2)n1C ZINC000257210332 570761247 /nfs/dbraw/zinc/76/12/47/570761247.db2.gz BUDXHJAFFIAUCZ-GOSISDBHSA-N 1 2 375.476 3.280 40 0 GGABLO O=C(Nc1ccc(OCC[NH+]2CCOCC2)cc1)c1n[nH]c2c1CCCCCC2 ZINC000257212824 570761619 /nfs/dbraw/zinc/76/16/19/570761619.db2.gz CFCMSEAEZNKITH-UHFFFAOYSA-N 1 2 398.507 3.032 40 0 GGABLO COc1cccc2c1OC(C)(C)[C@H]1CC3(C[NH+](Cc4cn(C)cn4)C3)CO[C@H]21 ZINC000257212677 570761627 /nfs/dbraw/zinc/76/16/27/570761627.db2.gz CEMPTQLYDKBMDP-PKOBYXMFSA-N 1 2 383.492 3.180 40 0 GGABLO Cc1noc(C)c1-c1nc(C)cc([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)n1 ZINC000257218252 570762828 /nfs/dbraw/zinc/76/28/28/570762828.db2.gz DCKBCKARJGVIMW-QGZVFWFLSA-N 1 2 380.452 3.007 40 0 GGABLO Cc1cc(Nc2cc(NC3CCN(C(=O)OC(C)(C)C)CC3)[nH+]c(C)n2)n[nH]1 ZINC000257229957 570765207 /nfs/dbraw/zinc/76/52/07/570765207.db2.gz GADDRFVLURPNFM-UHFFFAOYSA-N 1 2 387.488 3.372 40 0 GGABLO O=C1NCC[N@@H+](Cc2cccc(F)c2)[C@H]1Cc1ccc(-c2cccnc2)cc1 ZINC000257244391 570768873 /nfs/dbraw/zinc/76/88/73/570768873.db2.gz ILCAQOJCNNOSEJ-QFIPXVFZSA-N 1 2 375.447 3.431 40 0 GGABLO O=C1NCC[N@H+](Cc2cccc(F)c2)[C@H]1Cc1ccc(-c2cccnc2)cc1 ZINC000257244391 570768876 /nfs/dbraw/zinc/76/88/76/570768876.db2.gz ILCAQOJCNNOSEJ-QFIPXVFZSA-N 1 2 375.447 3.431 40 0 GGABLO Cc1ncsc1C(=O)N1CCC(Cc2ccnc(-c3c[nH+]cn3C)c2)CC1 ZINC000257248748 570770133 /nfs/dbraw/zinc/77/01/33/570770133.db2.gz JEZYNUZWBIVDNF-UHFFFAOYSA-N 1 2 381.505 3.342 40 0 GGABLO CN(C)c1ncc(C[N@@H+]2CCO[C@H](c3cccc(-c4cccc(F)c4)n3)C2)cn1 ZINC000257251960 570770396 /nfs/dbraw/zinc/77/03/96/570770396.db2.gz JTALWGZVYNGUED-NRFANRHFSA-N 1 2 393.466 3.317 40 0 GGABLO CN(C)c1ncc(C[N@H+]2CCO[C@H](c3cccc(-c4cccc(F)c4)n3)C2)cn1 ZINC000257251960 570770401 /nfs/dbraw/zinc/77/04/01/570770401.db2.gz JTALWGZVYNGUED-NRFANRHFSA-N 1 2 393.466 3.317 40 0 GGABLO CN(C)c1ncc(C[N@@H+]2CCO[C@@H](c3cccc(-c4cccc(F)c4)n3)C2)cn1 ZINC000257251961 570770496 /nfs/dbraw/zinc/77/04/96/570770496.db2.gz JTALWGZVYNGUED-OAQYLSRUSA-N 1 2 393.466 3.317 40 0 GGABLO CN(C)c1ncc(C[N@H+]2CCO[C@@H](c3cccc(-c4cccc(F)c4)n3)C2)cn1 ZINC000257251961 570770499 /nfs/dbraw/zinc/77/04/99/570770499.db2.gz JTALWGZVYNGUED-OAQYLSRUSA-N 1 2 393.466 3.317 40 0 GGABLO Cc1ccc(CC(=O)N2CC[C@H](c3ncncc3-c3cc[nH+]c(N)c3)C2)cc1C ZINC000257261596 570771905 /nfs/dbraw/zinc/77/19/05/570771905.db2.gz LIAFNQMAWQZLNX-IBGZPJMESA-N 1 2 387.487 3.296 40 0 GGABLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@](C)(O)[C@@H](Oc3cccc(F)c3)C2)cc1F ZINC000257263137 570771962 /nfs/dbraw/zinc/77/19/62/570771962.db2.gz LOOVHEGCVAARHY-FPOVZHCZSA-N 1 2 390.430 3.116 40 0 GGABLO Cc1ccc(NC(=O)C[N@H+]2CC[C@](C)(O)[C@@H](Oc3cccc(F)c3)C2)cc1F ZINC000257263137 570771964 /nfs/dbraw/zinc/77/19/64/570771964.db2.gz LOOVHEGCVAARHY-FPOVZHCZSA-N 1 2 390.430 3.116 40 0 GGABLO Cc1[nH+]cc(-c2cncc(C[C@H]3CCCN(C(=O)c4ccccc4)C3)n2)n1C ZINC000257262618 570771976 /nfs/dbraw/zinc/77/19/76/570771976.db2.gz LMCQGGLGSRQTGJ-QGZVFWFLSA-N 1 2 375.476 3.280 40 0 GGABLO Cc1ccc(CC(=O)N2CC[C@@H](c3ncncc3-c3cc[nH+]c(N)c3)C2)cc1C ZINC000257261597 570772095 /nfs/dbraw/zinc/77/20/95/570772095.db2.gz LIAFNQMAWQZLNX-LJQANCHMSA-N 1 2 387.487 3.296 40 0 GGABLO CCOC(=O)c1cccc(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)c1C ZINC000013676600 570772233 /nfs/dbraw/zinc/77/22/33/570772233.db2.gz BRORKJMFQNIKGU-UHFFFAOYSA-N 1 2 382.460 3.256 40 0 GGABLO Cc1[nH+]cc(-c2cc(CC3CCN(C(=O)c4ccncc4)CC3)ccn2)n1C ZINC000257279658 570775094 /nfs/dbraw/zinc/77/50/94/570775094.db2.gz OHPMKSSOZHFNAB-UHFFFAOYSA-N 1 2 375.476 3.280 40 0 GGABLO Cc1[nH+]cc(-c2cncc(C[C@H]3CCCN(C(=O)c4ccccc4F)C3)n2)n1C ZINC000257282058 570775452 /nfs/dbraw/zinc/77/54/52/570775452.db2.gz OSDYWWKKKCZEPI-MRXNPFEDSA-N 1 2 393.466 3.420 40 0 GGABLO O=C(C[N@H+]1CC[C@H](O)[C@]2(CCCO2)C1)N1c2ccccc2Sc2ccccc21 ZINC000257289809 570776334 /nfs/dbraw/zinc/77/63/34/570776334.db2.gz QAHLHLKDBIHQTI-UNMCSNQZSA-N 1 2 396.512 3.432 40 0 GGABLO O=C(C[N@@H+]1CC[C@H](O)[C@]2(CCCO2)C1)N1c2ccccc2Sc2ccccc21 ZINC000257289809 570776338 /nfs/dbraw/zinc/77/63/38/570776338.db2.gz QAHLHLKDBIHQTI-UNMCSNQZSA-N 1 2 396.512 3.432 40 0 GGABLO CNc1ncccc1C[N@@H+]1CCO[C@H](c2cccc(-c3c(C)noc3C)n2)C1 ZINC000257289645 570776551 /nfs/dbraw/zinc/77/65/51/570776551.db2.gz PZOSKXYKHIRFIU-IBGZPJMESA-N 1 2 379.464 3.364 40 0 GGABLO CNc1ncccc1C[N@H+]1CCO[C@H](c2cccc(-c3c(C)noc3C)n2)C1 ZINC000257289645 570776552 /nfs/dbraw/zinc/77/65/52/570776552.db2.gz PZOSKXYKHIRFIU-IBGZPJMESA-N 1 2 379.464 3.364 40 0 GGABLO Cc1noc(C)c1-c1ccc([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)nc1 ZINC000257293453 570776940 /nfs/dbraw/zinc/77/69/40/570776940.db2.gz QPMGWQPVZIFIRR-GOSISDBHSA-N 1 2 379.464 3.346 40 0 GGABLO Cc1ccc(F)cc1NC(=O)C[N@@H+]1CC[C@H](Oc2cccc(F)c2)[C@@](C)(O)C1 ZINC000257296983 570777482 /nfs/dbraw/zinc/77/74/82/570777482.db2.gz RFGUVXHZTOUXPY-FPOVZHCZSA-N 1 2 390.430 3.116 40 0 GGABLO Cc1ccc(F)cc1NC(=O)C[N@H+]1CC[C@H](Oc2cccc(F)c2)[C@@](C)(O)C1 ZINC000257296983 570777486 /nfs/dbraw/zinc/77/74/86/570777486.db2.gz RFGUVXHZTOUXPY-FPOVZHCZSA-N 1 2 390.430 3.116 40 0 GGABLO Cc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@](C)(O)[C@@H](Oc2cccc(F)c2)C1 ZINC000257302202 570778411 /nfs/dbraw/zinc/77/84/11/570778411.db2.gz SBXQDLUPMHHHLV-UGKGYDQZSA-N 1 2 386.467 3.285 40 0 GGABLO Cc1cccc(C)c1NC(=O)C[N@H+]1CC[C@](C)(O)[C@@H](Oc2cccc(F)c2)C1 ZINC000257302202 570778418 /nfs/dbraw/zinc/77/84/18/570778418.db2.gz SBXQDLUPMHHHLV-UGKGYDQZSA-N 1 2 386.467 3.285 40 0 GGABLO Cc1[nH+]cc(-c2cncc([C@@H]3CCCN(C(=O)c4cc(F)cc(F)c4)C3)n2)n1C ZINC000257313858 570780483 /nfs/dbraw/zinc/78/04/83/570780483.db2.gz UUJWGJIRARPJNX-CQSZACIVSA-N 1 2 397.429 3.484 40 0 GGABLO Cc1ccc(C[N@@H+]2CCO[C@@H](c3cncc(Nc4ncccn4)n3)C2)cc1C ZINC000257318917 570780751 /nfs/dbraw/zinc/78/07/51/570780751.db2.gz VPYIPCMJAOPGHP-LJQANCHMSA-N 1 2 376.464 3.201 40 0 GGABLO Cn1nc(C(C)(C)C)cc1-c1cc(NC[C@@H]2Cc3ccccc3O2)nc(N)[nH+]1 ZINC000257318837 570780927 /nfs/dbraw/zinc/78/09/27/570780927.db2.gz VPOYQDKIMXSZPE-AWEZNQCLSA-N 1 2 378.480 3.172 40 0 GGABLO Cc1nc(Nc2cccc([C@H]3C[N@H+](Cc4cnn(C)c4)CCO3)n2)sc1C ZINC000257332595 570782892 /nfs/dbraw/zinc/78/28/92/570782892.db2.gz XXYRZYJALGAOBX-QGZVFWFLSA-N 1 2 384.509 3.206 40 0 GGABLO Cc1nc(Nc2cccc([C@H]3C[N@@H+](Cc4cnn(C)c4)CCO3)n2)sc1C ZINC000257332595 570782894 /nfs/dbraw/zinc/78/28/94/570782894.db2.gz XXYRZYJALGAOBX-QGZVFWFLSA-N 1 2 384.509 3.206 40 0 GGABLO CCc1nnc(Nc2cc(C)[nH+]c([C@H]3CN(C(=O)C(C)C)CCO3)c2)s1 ZINC000257334736 570783482 /nfs/dbraw/zinc/78/34/82/570783482.db2.gz YHECHTVXUMRVKK-OAHLLOKOSA-N 1 2 375.498 3.103 40 0 GGABLO Cc1[nH+]cc(-c2cncc([C@@H]3CCCN(C(=O)c4cccc(F)c4)C3)n2)n1C ZINC000257334955 570783501 /nfs/dbraw/zinc/78/35/01/570783501.db2.gz YHZQTFYNAKONFF-MRXNPFEDSA-N 1 2 379.439 3.344 40 0 GGABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1ccc(O)c(OC)c1 ZINC000261363279 570788080 /nfs/dbraw/zinc/78/80/80/570788080.db2.gz QQBFJDHJQQJKGD-SFHVURJKSA-O 1 2 397.480 3.325 40 0 GGABLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1ccco1 ZINC000261363320 570788138 /nfs/dbraw/zinc/78/81/38/570788138.db2.gz GUMHOBPYLZKCEY-GOSISDBHSA-O 1 2 383.453 3.145 40 0 GGABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1ccc(C)o1 ZINC000261362825 570788147 /nfs/dbraw/zinc/78/81/47/570788147.db2.gz FHVRVKGUJCVGCX-SFHVURJKSA-O 1 2 383.453 3.064 40 0 GGABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccsc1 ZINC000261366011 570789127 /nfs/dbraw/zinc/78/91/27/570789127.db2.gz WXQJCYLTMAOJRV-QGZVFWFLSA-O 1 2 385.494 3.224 40 0 GGABLO Cc1cc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)c2ccccc2n1 ZINC000024378849 570792481 /nfs/dbraw/zinc/79/24/81/570792481.db2.gz PVSJYPLSTLPFHA-UHFFFAOYSA-N 1 2 375.472 3.305 40 0 GGABLO CSc1ncc(Cl)c(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)n1 ZINC000032753549 570796499 /nfs/dbraw/zinc/79/64/99/570796499.db2.gz YYRXPMCBAOJURH-ZDUSSCGKSA-N 1 2 391.859 3.244 40 0 GGABLO O=C(C[N@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1)Nc1ccc(Cl)cc1 ZINC000032776807 570799053 /nfs/dbraw/zinc/79/90/53/570799053.db2.gz PQLFEMMRDAGAAV-UHFFFAOYSA-N 1 2 389.858 3.266 40 0 GGABLO O=C(C[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1)Nc1ccc(Cl)cc1 ZINC000032776807 570799057 /nfs/dbraw/zinc/79/90/57/570799057.db2.gz PQLFEMMRDAGAAV-UHFFFAOYSA-N 1 2 389.858 3.266 40 0 GGABLO Cc1nc(N2CCC(NC(=O)[C@H](C)Oc3ccccc3)CC2)c2c([nH+]1)CCCC2 ZINC000238826660 570802034 /nfs/dbraw/zinc/80/20/34/570802034.db2.gz DXOGJBLCKAKROZ-INIZCTEOSA-N 1 2 394.519 3.216 40 0 GGABLO CCn1c2ccccc2[nH+]c1N1CCN(C(=O)Nc2ccc(OC)cc2)CC1 ZINC000033106435 570811135 /nfs/dbraw/zinc/81/11/35/570811135.db2.gz BKBNMGSBMJSXRM-UHFFFAOYSA-N 1 2 379.464 3.419 40 0 GGABLO c1ccc(CN2C[NH+]=C3N[C@H]([C@@H]4CC=CCC4)n4c5ccccc5nc4N3C2)nc1 ZINC000013634015 570862222 /nfs/dbraw/zinc/86/22/22/570862222.db2.gz VTMALJMXYWGGNH-UTKZUKDTSA-N 1 2 399.502 3.483 40 0 GGABLO CCOc1ccc(NC(=O)C[C@@H]2[NH2+]CCc3c4ccccc4[nH]c3C2=O)cc1 ZINC000014162479 570878578 /nfs/dbraw/zinc/87/85/78/570878578.db2.gz HZMKQBYIPVHRFP-IBGZPJMESA-N 1 2 377.444 3.292 40 0 GGABLO CCOC(=O)C1(c2ccccc2)CC[NH+](CC(=O)Nc2ccc(F)cc2)CC1 ZINC000005716653 570882456 /nfs/dbraw/zinc/88/24/56/570882456.db2.gz VNWUWTPCMSKOPH-UHFFFAOYSA-N 1 2 384.451 3.361 40 0 GGABLO CCOC(=O)c1oc2ccccc2c1CN1CC[NH+](Cc2cc(C)no2)CC1 ZINC000022252121 570884556 /nfs/dbraw/zinc/88/45/56/570884556.db2.gz YIPPIJNZWQBZDJ-UHFFFAOYSA-N 1 2 383.448 3.224 40 0 GGABLO CCOC(=O)c1oc2ccccc2c1C[NH+]1CCN(Cc2cc(C)no2)CC1 ZINC000022252121 570884560 /nfs/dbraw/zinc/88/45/60/570884560.db2.gz YIPPIJNZWQBZDJ-UHFFFAOYSA-N 1 2 383.448 3.224 40 0 GGABLO O=C(CCn1ccc2ccccc21)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000032895836 570887602 /nfs/dbraw/zinc/88/76/02/570887602.db2.gz KTMFMRWAECFTOY-IBGZPJMESA-N 1 2 383.517 3.283 40 0 GGABLO COc1ccc(-c2nnc(SCC[NH+]3CCOCC3)n2-c2ccccc2)cc1 ZINC000023076244 570902071 /nfs/dbraw/zinc/90/20/71/570902071.db2.gz AYPVIKSSCVRXQO-UHFFFAOYSA-N 1 2 396.516 3.367 40 0 GGABLO C[C@H](Sc1nc2ccccc2[nH]1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023174868 570928698 /nfs/dbraw/zinc/92/86/98/570928698.db2.gz HOIYDKYHZSFSIW-INIZCTEOSA-N 1 2 380.517 3.388 40 0 GGABLO c1csc(-c2ccc3c([C@@H]4C[N@H+](Cc5ccccn5)CCO4)nnn3c2)c1 ZINC000306125748 570936828 /nfs/dbraw/zinc/93/68/28/570936828.db2.gz DBBNOTPCIQLRRG-SFHVURJKSA-N 1 2 377.473 3.426 40 0 GGABLO c1csc(-c2ccc3c([C@@H]4C[N@@H+](Cc5ccccn5)CCO4)nnn3c2)c1 ZINC000306125748 570936832 /nfs/dbraw/zinc/93/68/32/570936832.db2.gz DBBNOTPCIQLRRG-SFHVURJKSA-N 1 2 377.473 3.426 40 0 GGABLO CN1CC[N@H+](Cc2ccncc2)C[C@@H]1c1nnn2cc(-c3ccsc3)ccc12 ZINC000306130441 570939167 /nfs/dbraw/zinc/93/91/67/570939167.db2.gz JGJSEJBLDPAEER-HXUWFJFHSA-N 1 2 390.516 3.342 40 0 GGABLO CN1CC[N@@H+](Cc2ccncc2)C[C@@H]1c1nnn2cc(-c3ccsc3)ccc12 ZINC000306130441 570939173 /nfs/dbraw/zinc/93/91/73/570939173.db2.gz JGJSEJBLDPAEER-HXUWFJFHSA-N 1 2 390.516 3.342 40 0 GGABLO Cc1ncoc1C(=O)N1Cc2ccccc2[C@@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000306137825 570943399 /nfs/dbraw/zinc/94/33/99/570943399.db2.gz RHLGXYUYYKACHN-FQEVSTJZSA-N 1 2 399.454 3.411 40 0 GGABLO Cc1cccc(C[N@@H+]2CCO[C@@H](c3nnn4cc(-c5cccnc5)ccc34)C2)n1 ZINC000306138886 570943778 /nfs/dbraw/zinc/94/37/78/570943778.db2.gz SKECXJSPTFENOO-OAQYLSRUSA-N 1 2 386.459 3.068 40 0 GGABLO Cc1cccc(C[N@H+]2CCO[C@@H](c3nnn4cc(-c5cccnc5)ccc34)C2)n1 ZINC000306138886 570943781 /nfs/dbraw/zinc/94/37/81/570943781.db2.gz SKECXJSPTFENOO-OAQYLSRUSA-N 1 2 386.459 3.068 40 0 GGABLO O=C1c2c(C[NH2+]Cc3ccc(Cl)cc3)nnn2CCN1Cc1cccc(F)c1 ZINC000306138311 570943912 /nfs/dbraw/zinc/94/39/12/570943912.db2.gz RUSNATKANRVWQA-UHFFFAOYSA-N 1 2 399.857 3.016 40 0 GGABLO c1csc(C[N@@H+]2CCO[C@@H](c3nnn4cc(-c5cccnc5)ccc34)C2)c1 ZINC000306141240 570945078 /nfs/dbraw/zinc/94/50/78/570945078.db2.gz VPEPALQEQYMWCE-LJQANCHMSA-N 1 2 377.473 3.426 40 0 GGABLO c1csc(C[N@H+]2CCO[C@@H](c3nnn4cc(-c5cccnc5)ccc34)C2)c1 ZINC000306141240 570945083 /nfs/dbraw/zinc/94/50/83/570945083.db2.gz VPEPALQEQYMWCE-LJQANCHMSA-N 1 2 377.473 3.426 40 0 GGABLO c1csc(C[N@@H+]2CCO[C@H](c3nnn4cc(-c5ccncc5)ccc34)C2)c1 ZINC000306141415 570945296 /nfs/dbraw/zinc/94/52/96/570945296.db2.gz VVGJVLZYJSMGEL-IBGZPJMESA-N 1 2 377.473 3.426 40 0 GGABLO c1csc(C[N@H+]2CCO[C@H](c3nnn4cc(-c5ccncc5)ccc34)C2)c1 ZINC000306141415 570945298 /nfs/dbraw/zinc/94/52/98/570945298.db2.gz VVGJVLZYJSMGEL-IBGZPJMESA-N 1 2 377.473 3.426 40 0 GGABLO COc1ccc(-c2c[nH+]c3n2CCN(C(=O)c2ccc(N(C)C)cc2)CC3)cc1 ZINC000585111301 570945639 /nfs/dbraw/zinc/94/56/39/570945639.db2.gz NOHCPRJGKXFHTH-UHFFFAOYSA-N 1 2 390.487 3.323 40 0 GGABLO Cc1ncsc1C[N@@H+]1C[C@@H]2c3cc(-c4ccoc4)ccc3S(=O)(=O)[C@@H]2C1 ZINC000306142407 570946001 /nfs/dbraw/zinc/94/60/01/570946001.db2.gz WYUCDHOZYMRPFI-VQIMIIECSA-N 1 2 386.498 3.467 40 0 GGABLO Cc1ncsc1C[N@H+]1C[C@@H]2c3cc(-c4ccoc4)ccc3S(=O)(=O)[C@@H]2C1 ZINC000306142407 570946005 /nfs/dbraw/zinc/94/60/05/570946005.db2.gz WYUCDHOZYMRPFI-VQIMIIECSA-N 1 2 386.498 3.467 40 0 GGABLO CC(C)[N@@H+]1CCc2c(n3ncc(-c4ccccc4)nc3c2C(=O)NCC2CC2)C1 ZINC000306143423 570946385 /nfs/dbraw/zinc/94/63/85/570946385.db2.gz YCARIENABMYVSH-UHFFFAOYSA-N 1 2 389.503 3.303 40 0 GGABLO CC(C)[N@H+]1CCc2c(n3ncc(-c4ccccc4)nc3c2C(=O)NCC2CC2)C1 ZINC000306143423 570946391 /nfs/dbraw/zinc/94/63/91/570946391.db2.gz YCARIENABMYVSH-UHFFFAOYSA-N 1 2 389.503 3.303 40 0 GGABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@H]2C[N@H+](Cc3ccccn3)C[C@H]21 ZINC000306143865 570946491 /nfs/dbraw/zinc/94/64/91/570946491.db2.gz YOSOZVIOFYTAKD-UYAOXDASSA-N 1 2 395.459 3.038 40 0 GGABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]21 ZINC000306143865 570946495 /nfs/dbraw/zinc/94/64/95/570946495.db2.gz YOSOZVIOFYTAKD-UYAOXDASSA-N 1 2 395.459 3.038 40 0 GGABLO COc1ncccc1C[N@H+]1C[C@@H]2[C@H](C1)n1cccc1C(=O)N2Cc1cccs1 ZINC000306143920 570946543 /nfs/dbraw/zinc/94/65/43/570946543.db2.gz YQQUCYRDKSEMCT-RBUKOAKNSA-N 1 2 394.500 3.035 40 0 GGABLO COc1ncccc1C[N@@H+]1C[C@@H]2[C@H](C1)n1cccc1C(=O)N2Cc1cccs1 ZINC000306143920 570946548 /nfs/dbraw/zinc/94/65/48/570946548.db2.gz YQQUCYRDKSEMCT-RBUKOAKNSA-N 1 2 394.500 3.035 40 0 GGABLO O=S1(=O)N(CC2CC2)c2ccccc2C12CC[NH+](Cc1nccs1)CC2 ZINC000306144865 570947069 /nfs/dbraw/zinc/94/70/69/570947069.db2.gz ZQWNALWJCBZYHB-UHFFFAOYSA-N 1 2 389.546 3.194 40 0 GGABLO COc1ccc(C[N@@H+]2CCc3c(nc(-c4cnc(C)cn4)[nH]c3=O)C2)c(C)c1C ZINC000019239052 570968223 /nfs/dbraw/zinc/96/82/23/570968223.db2.gz PFPMVWZSZKADFE-UHFFFAOYSA-N 1 2 391.475 3.131 40 0 GGABLO COc1ccc(C[N@H+]2CCc3c(nc(-c4cnc(C)cn4)[nH]c3=O)C2)c(C)c1C ZINC000019239052 570968227 /nfs/dbraw/zinc/96/82/27/570968227.db2.gz PFPMVWZSZKADFE-UHFFFAOYSA-N 1 2 391.475 3.131 40 0 GGABLO CSc1nnc([C@H]2CCCN2C(=O)[C@@H](C)n2c(C)[nH+]c3ccccc32)n1C ZINC000019286647 570970038 /nfs/dbraw/zinc/97/00/38/570970038.db2.gz MZRYRNJFSGJJQP-MLGOLLRUSA-N 1 2 384.509 3.120 40 0 GGABLO Cc1[nH+]c2ccccc2n1C[C@@H](C)C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000019286751 570970141 /nfs/dbraw/zinc/97/01/41/570970141.db2.gz CZACIVPGRHOPBY-OLZOCXBDSA-N 1 2 378.432 3.339 40 0 GGABLO Cc1nc(CN2CCN(C(=O)[C@H](C)n3c(C)[nH+]c4ccccc43)CC2)cs1 ZINC000019286652 570970148 /nfs/dbraw/zinc/97/01/48/570970148.db2.gz RCBKKIQQMQKGDS-AWEZNQCLSA-N 1 2 383.521 3.015 40 0 GGABLO O=C(Nc1cccc(OCC[NH+]2CCOCC2)c1)c1n[nH]c2c1CCCCCC2 ZINC000019330952 570975167 /nfs/dbraw/zinc/97/51/67/570975167.db2.gz ZNKJSBUYPOCIGC-UHFFFAOYSA-N 1 2 398.507 3.032 40 0 GGABLO O=c1[nH]c(-c2ccccn2)nc2c1C[N@H+](Cc1c[nH]nc1-c1cccs1)CC2 ZINC000019403162 570982935 /nfs/dbraw/zinc/98/29/35/570982935.db2.gz GVHMGVHHNPLEET-UHFFFAOYSA-N 1 2 390.472 3.254 40 0 GGABLO O=c1[nH]c(-c2ccccn2)nc2c1C[N@@H+](Cc1c[nH]nc1-c1cccs1)CC2 ZINC000019403162 570982936 /nfs/dbraw/zinc/98/29/36/570982936.db2.gz GVHMGVHHNPLEET-UHFFFAOYSA-N 1 2 390.472 3.254 40 0 GGABLO CC(C)[C@@H](NC(=O)C[N@H+](C)Cc1cccnc1)c1ccc2c(c1)OCCCO2 ZINC000019445819 570983712 /nfs/dbraw/zinc/98/37/12/570983712.db2.gz KMTKFDXGPRHZAC-JOCHJYFZSA-N 1 2 383.492 3.188 40 0 GGABLO CC(C)[C@@H](NC(=O)C[N@@H+](C)Cc1cccnc1)c1ccc2c(c1)OCCCO2 ZINC000019445819 570983714 /nfs/dbraw/zinc/98/37/14/570983714.db2.gz KMTKFDXGPRHZAC-JOCHJYFZSA-N 1 2 383.492 3.188 40 0 GGABLO COc1cc(C[N@@H+]2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)ccc1O ZINC000019453619 570985983 /nfs/dbraw/zinc/98/59/83/570985983.db2.gz QQHAQMVHJNRUCN-UHFFFAOYSA-N 1 2 382.508 3.473 40 0 GGABLO COc1cc(C[N@H+]2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)ccc1O ZINC000019453619 570985987 /nfs/dbraw/zinc/98/59/87/570985987.db2.gz QQHAQMVHJNRUCN-UHFFFAOYSA-N 1 2 382.508 3.473 40 0 GGABLO COc1ccccc1C[N@@H+]1CCc2c(nc(C(C)C)nc2N2CCOCC2)C1 ZINC000019453729 570986118 /nfs/dbraw/zinc/98/61/18/570986118.db2.gz LXJFGOOIWBPAFA-UHFFFAOYSA-N 1 2 382.508 3.004 40 0 GGABLO COc1ccccc1C[N@H+]1CCc2c(nc(C(C)C)nc2N2CCOCC2)C1 ZINC000019453729 570986122 /nfs/dbraw/zinc/98/61/22/570986122.db2.gz LXJFGOOIWBPAFA-UHFFFAOYSA-N 1 2 382.508 3.004 40 0 GGABLO CC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCOC2(C)C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000661012577 570988463 /nfs/dbraw/zinc/98/84/63/570988463.db2.gz KXKMQQVGKABAGE-SKDZVZGDSA-N 1 2 399.457 3.354 40 0 GGABLO CC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCOC2(C)C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000661012577 570988467 /nfs/dbraw/zinc/98/84/67/570988467.db2.gz KXKMQQVGKABAGE-SKDZVZGDSA-N 1 2 399.457 3.354 40 0 GGABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccc(Cl)c2)C3)C[C@@H](C)O1 ZINC000019497599 570990358 /nfs/dbraw/zinc/99/03/58/570990358.db2.gz DWVQWFJBHWPEOR-ZIAGYGMSSA-N 1 2 388.899 3.008 40 0 GGABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccc(Cl)c2)C3)C[C@@H](C)O1 ZINC000019497599 570990363 /nfs/dbraw/zinc/99/03/63/570990363.db2.gz DWVQWFJBHWPEOR-ZIAGYGMSSA-N 1 2 388.899 3.008 40 0 GGABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(Cl)cc2)C3)C[C@H](C)O1 ZINC000019497586 570990534 /nfs/dbraw/zinc/99/05/34/570990534.db2.gz DEGGGXLJLITIQC-OKILXGFUSA-N 1 2 388.899 3.008 40 0 GGABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(Cl)cc2)C3)C[C@H](C)O1 ZINC000019497586 570990537 /nfs/dbraw/zinc/99/05/37/570990537.db2.gz DEGGGXLJLITIQC-OKILXGFUSA-N 1 2 388.899 3.008 40 0 GGABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(Cl)cc2)C3)C[C@@H](C)O1 ZINC000019497585 570990548 /nfs/dbraw/zinc/99/05/48/570990548.db2.gz DEGGGXLJLITIQC-ZIAGYGMSSA-N 1 2 388.899 3.008 40 0 GGABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(Cl)cc2)C3)C[C@@H](C)O1 ZINC000019497585 570990550 /nfs/dbraw/zinc/99/05/50/570990550.db2.gz DEGGGXLJLITIQC-ZIAGYGMSSA-N 1 2 388.899 3.008 40 0 GGABLO CCOc1ccc(C[N@@H+]2CCc3nc(C4CCN(C(C)=O)CC4)ncc3C2)cc1 ZINC000019533376 570999816 /nfs/dbraw/zinc/99/98/16/570999816.db2.gz LFCGDFLXPSZQTR-UHFFFAOYSA-N 1 2 394.519 3.160 40 0 GGABLO CCOc1ccc(C[N@H+]2CCc3nc(C4CCN(C(C)=O)CC4)ncc3C2)cc1 ZINC000019533376 570999817 /nfs/dbraw/zinc/99/98/17/570999817.db2.gz LFCGDFLXPSZQTR-UHFFFAOYSA-N 1 2 394.519 3.160 40 0 GGABLO COc1ccccc1OCC[NH+]1CCN(C(=O)c2[nH]c3ccccc3c2C)CC1 ZINC000019565837 571007624 /nfs/dbraw/zinc/00/76/24/571007624.db2.gz DBEYRBLPUFAZDW-UHFFFAOYSA-N 1 2 393.487 3.322 40 0 GGABLO COc1cccc(Nc2noc3c2C[N@H+](Cc2ccc(OCCO)cc2)CC3)c1 ZINC000019565924 571007635 /nfs/dbraw/zinc/00/76/35/571007635.db2.gz HCJDESJEGIJPTC-UHFFFAOYSA-N 1 2 395.459 3.356 40 0 GGABLO COc1cccc(Nc2noc3c2C[N@@H+](Cc2ccc(OCCO)cc2)CC3)c1 ZINC000019565924 571007640 /nfs/dbraw/zinc/00/76/40/571007640.db2.gz HCJDESJEGIJPTC-UHFFFAOYSA-N 1 2 395.459 3.356 40 0 GGABLO COCCOc1cccc(CN2CCc3nc([C@H]4CCCC[N@@H+]4C)ncc3C2)c1 ZINC000019589026 571016268 /nfs/dbraw/zinc/01/62/68/571016268.db2.gz XKASXVXWMYEZFT-JOCHJYFZSA-N 1 2 396.535 3.217 40 0 GGABLO COCCOc1cccc(CN2CCc3nc([C@H]4CCCC[N@H+]4C)ncc3C2)c1 ZINC000019589026 571016270 /nfs/dbraw/zinc/01/62/70/571016270.db2.gz XKASXVXWMYEZFT-JOCHJYFZSA-N 1 2 396.535 3.217 40 0 GGABLO COc1ccc(CCC(=O)N2CCc3nc([C@@H]4CCCC[N@@H+]4C)ncc3C2)cc1 ZINC000019588896 571016285 /nfs/dbraw/zinc/01/62/85/571016285.db2.gz PTJNLASAWNZKFH-NRFANRHFSA-N 1 2 394.519 3.160 40 0 GGABLO COc1ccc(CCC(=O)N2CCc3nc([C@@H]4CCCC[N@H+]4C)ncc3C2)cc1 ZINC000019588896 571016287 /nfs/dbraw/zinc/01/62/87/571016287.db2.gz PTJNLASAWNZKFH-NRFANRHFSA-N 1 2 394.519 3.160 40 0 GGABLO COc1ccc2c(c1)c(C[C@@H](C)NC(=O)C[NH+]1Cc3ccccc3C1)cn2C ZINC000019658203 571024329 /nfs/dbraw/zinc/02/43/29/571024329.db2.gz XFYAJKCBEOTBKP-MRXNPFEDSA-N 1 2 377.488 3.250 40 0 GGABLO COc1cccc(C[N@@H+]2CCC[C@H]2C(=O)Nc2nc(-c3cnn(C)c3)cs2)c1 ZINC000019661200 571025919 /nfs/dbraw/zinc/02/59/19/571025919.db2.gz PKJSCVIOLXARKG-SFHVURJKSA-N 1 2 397.504 3.155 40 0 GGABLO COc1cccc(C[N@H+]2CCC[C@H]2C(=O)Nc2nc(-c3cnn(C)c3)cs2)c1 ZINC000019661200 571025922 /nfs/dbraw/zinc/02/59/22/571025922.db2.gz PKJSCVIOLXARKG-SFHVURJKSA-N 1 2 397.504 3.155 40 0 GGABLO CC1CCN(c2ncc(C[N@@H+](Cc3ccccn3)C[C@@H]3CCCO3)cn2)CC1 ZINC000019664416 571026946 /nfs/dbraw/zinc/02/69/46/571026946.db2.gz QKJXSQJUCYUSRD-NRFANRHFSA-N 1 2 381.524 3.289 40 0 GGABLO CC1CCN(c2ncc(C[N@H+](Cc3ccccn3)C[C@@H]3CCCO3)cn2)CC1 ZINC000019664416 571026947 /nfs/dbraw/zinc/02/69/47/571026947.db2.gz QKJXSQJUCYUSRD-NRFANRHFSA-N 1 2 381.524 3.289 40 0 GGABLO CC1CCN(c2ncc(C[N@@H+](Cc3ccccn3)C[C@H]3CCCO3)cn2)CC1 ZINC000019664419 571027015 /nfs/dbraw/zinc/02/70/15/571027015.db2.gz QKJXSQJUCYUSRD-OAQYLSRUSA-N 1 2 381.524 3.289 40 0 GGABLO CC1CCN(c2ncc(C[N@H+](Cc3ccccn3)C[C@H]3CCCO3)cn2)CC1 ZINC000019664419 571027019 /nfs/dbraw/zinc/02/70/19/571027019.db2.gz QKJXSQJUCYUSRD-OAQYLSRUSA-N 1 2 381.524 3.289 40 0 GGABLO COCCNC(=O)c1sc2ccccc2c1[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000019697863 571030633 /nfs/dbraw/zinc/03/06/33/571030633.db2.gz RBXUKAUBPFZRGV-MRXNPFEDSA-N 1 2 376.522 3.307 40 0 GGABLO COCCNC(=O)c1sc2ccccc2c1[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000019697863 571030634 /nfs/dbraw/zinc/03/06/34/571030634.db2.gz RBXUKAUBPFZRGV-MRXNPFEDSA-N 1 2 376.522 3.307 40 0 GGABLO Cc1cc(N)n(-c2ccc(C(=O)NCCc3[nH]c4cc(C)c(C)cc4[nH+]3)cc2)n1 ZINC000019717869 571040723 /nfs/dbraw/zinc/04/07/23/571040723.db2.gz LABIWNWNFISQJC-UHFFFAOYSA-N 1 2 388.475 3.229 40 0 GGABLO C[N@@H+]1C[C@@H](NC(=O)NC2CCCCC2)C[C@H]1c1nc(Cc2ccccc2)no1 ZINC000020464249 575366286 /nfs/dbraw/zinc/36/62/86/575366286.db2.gz FYDCIDOZUSJOCU-ROUUACIJSA-N 1 2 383.496 3.038 40 0 biogenic,in-vitro GGABLO C[N@H+]1C[C@@H](NC(=O)NC2CCCCC2)C[C@H]1c1nc(Cc2ccccc2)no1 ZINC000020464249 575366289 /nfs/dbraw/zinc/36/62/89/575366289.db2.gz FYDCIDOZUSJOCU-ROUUACIJSA-N 1 2 383.496 3.038 40 0 biogenic,in-vitro GGABLO C[N@@H+]1C[C@@H](NC(=O)Nc2cccc(F)c2)C[C@H]1c1nc(Cc2ccccc2)no1 ZINC000020464251 575366361 /nfs/dbraw/zinc/36/63/61/575366361.db2.gz WSBLZHPSWYLIBU-ROUUACIJSA-N 1 2 395.438 3.366 40 0 biogenic,in-vitro GGABLO C[N@H+]1C[C@@H](NC(=O)Nc2cccc(F)c2)C[C@H]1c1nc(Cc2ccccc2)no1 ZINC000020464251 575366366 /nfs/dbraw/zinc/36/63/66/575366366.db2.gz WSBLZHPSWYLIBU-ROUUACIJSA-N 1 2 395.438 3.366 40 0 biogenic,in-vitro GGABLO Cc1ccc(-n2c(SCC[NH+]3CCOCC3)nnc2-c2ccncc2)cc1 ZINC000019213346 1399328040 /nfs/dbraw/zinc/32/80/40/1399328040.db2.gz AODDYLCUFDIDDU-UHFFFAOYSA-N 1 2 381.505 3.062 40 0 GGABLO C[NH+]1CCN(C(=O)CSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)CC1 ZINC000019589757 1399331814 /nfs/dbraw/zinc/33/18/14/1399331814.db2.gz DSLHRNJAUPTMJA-UHFFFAOYSA-N 1 2 396.438 3.029 40 0 GGABLO COCCNc1nc(-c2ccccn2)nc2c1C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000019593589 1399331826 /nfs/dbraw/zinc/33/18/26/1399331826.db2.gz UYGVARMCUPOYMG-UHFFFAOYSA-N 1 2 393.466 3.294 40 0 GGABLO COCCNc1nc(-c2ccccn2)nc2c1C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000019593589 1399331828 /nfs/dbraw/zinc/33/18/28/1399331828.db2.gz UYGVARMCUPOYMG-UHFFFAOYSA-N 1 2 393.466 3.294 40 0 GGABLO COc1ccc(OCc2ccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)o2)cc1 ZINC000028227581 1400140991 /nfs/dbraw/zinc/14/09/91/1400140991.db2.gz BGMMWQDZGPHOGS-UHFFFAOYSA-N 1 2 393.443 3.225 40 0 GGABLO COc1ccc(C)cc1C[NH+]1CCN(CC(=O)Nc2cc(F)ccc2F)CC1 ZINC000029193235 1400257028 /nfs/dbraw/zinc/25/70/28/1400257028.db2.gz DFLVCMIFMQJVLA-UHFFFAOYSA-N 1 2 389.446 3.038 40 0 GGABLO CCOc1ccc([C@@H]([NH3+])c2nc(COc3ccc(OC)cc3)n[nH]2)cc1OCC ZINC000095534547 1410315502 /nfs/dbraw/zinc/31/55/02/1410315502.db2.gz HRTMIIGEWFDKGP-HXUWFJFHSA-N 1 2 398.463 3.238 40 0 GGABLO CCOc1ccc([C@@H]([NH3+])c2nc(COc3ccc(F)cc3)n[nH]2)cc1OCC ZINC000095534549 1410315528 /nfs/dbraw/zinc/31/55/28/1410315528.db2.gz JWHAKASDYRKQDX-LJQANCHMSA-N 1 2 386.427 3.368 40 0 GGABLO CCOc1ccc([C@@H]([NH3+])c2nc(CNc3ccc(OC)cc3)n[nH]2)cc1OCC ZINC000095534543 1410315545 /nfs/dbraw/zinc/31/55/45/1410315545.db2.gz CMQXKUURAHUFSS-HXUWFJFHSA-N 1 2 397.479 3.271 40 0 GGABLO CCOc1cc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)ccc1O ZINC000199431362 1433352769 /nfs/dbraw/zinc/35/27/69/1433352769.db2.gz LQMAAUFTMDFIEK-HXUWFJFHSA-N 1 2 380.488 3.340 40 0 GGABLO CCOc1cc(C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)ccc1O ZINC000199431362 1433352771 /nfs/dbraw/zinc/35/27/71/1433352771.db2.gz LQMAAUFTMDFIEK-HXUWFJFHSA-N 1 2 380.488 3.340 40 0 GGABLO CO[C@H]1O[C@H]2c3cc4c(cc3CC[N@@H+](C)[C@@H]2c2ccc3c(c21)OCO3)OCO4 ZINC000033832039 291127642 /nfs/dbraw/zinc/12/76/42/291127642.db2.gz XRBIHOLQAKITPP-DYXWJJEUSA-N 1 2 383.400 3.090 40 0 biogenic,in-vitro GGABLO CO[C@H]1O[C@H]2c3cc4c(cc3CC[N@H+](C)[C@@H]2c2ccc3c(c21)OCO3)OCO4 ZINC000033832039 291127645 /nfs/dbraw/zinc/12/76/45/291127645.db2.gz XRBIHOLQAKITPP-DYXWJJEUSA-N 1 2 383.400 3.090 40 0 biogenic,in-vitro GGABLO Cc1nnc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2C)s1 ZINC000004230917 204032645 /nfs/dbraw/zinc/03/26/45/204032645.db2.gz IARATNHSJJLOHY-UHFFFAOYSA-N 1 2 397.489 3.015 40 0 GGABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000035289957 204149984 /nfs/dbraw/zinc/14/99/84/204149984.db2.gz RZAJDIXYVIBCPT-OAQYLSRUSA-N 1 2 392.507 3.003 40 0 GGABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000035289955 204150190 /nfs/dbraw/zinc/15/01/90/204150190.db2.gz RZAJDIXYVIBCPT-NRFANRHFSA-N 1 2 392.507 3.003 40 0 GGABLO CCC[C@H](c1nnnn1C1CCCC1)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000035290712 204153168 /nfs/dbraw/zinc/15/31/68/204153168.db2.gz DLYMEKLDOVQTPH-HXUWFJFHSA-N 1 2 398.555 3.456 40 0 GGABLO NC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000035296341 204157512 /nfs/dbraw/zinc/15/75/12/204157512.db2.gz ASRUESXRQSJJJI-JOCHJYFZSA-N 1 2 385.467 3.351 40 0 GGABLO NC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000035296341 204157515 /nfs/dbraw/zinc/15/75/15/204157515.db2.gz ASRUESXRQSJJJI-JOCHJYFZSA-N 1 2 385.467 3.351 40 0 GGABLO CC(C)(C)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000035311836 204166691 /nfs/dbraw/zinc/16/66/91/204166691.db2.gz BYEAKTIXZOWTMR-UHFFFAOYSA-N 1 2 385.430 3.271 40 0 GGABLO COc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc4c(c3)OCO4)n2)cn1 ZINC000035425860 204196198 /nfs/dbraw/zinc/19/61/98/204196198.db2.gz BEXACCTUQVSTBA-HNNXBMFYSA-N 1 2 380.404 3.206 40 0 biogenic,in-vitro GGABLO COc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc4c(c3)OCO4)n2)cn1 ZINC000035425860 204196201 /nfs/dbraw/zinc/19/62/01/204196201.db2.gz BEXACCTUQVSTBA-HNNXBMFYSA-N 1 2 380.404 3.206 40 0 biogenic,in-vitro GGABLO CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)[N@H+](C)CC(=O)N(C)C)ccc21 ZINC000007360739 204239428 /nfs/dbraw/zinc/23/94/28/204239428.db2.gz WDZWYUURSHOBNH-OAHLLOKOSA-N 1 2 380.492 3.161 40 0 GGABLO CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)[N@@H+](C)CC(=O)N(C)C)ccc21 ZINC000007360739 204239431 /nfs/dbraw/zinc/23/94/31/204239431.db2.gz WDZWYUURSHOBNH-OAHLLOKOSA-N 1 2 380.492 3.161 40 0 GGABLO CCn1c2ccccc2c2cc(NC(=O)[C@H](C)[N@H+](C)CC(=O)N(C)C)ccc21 ZINC000007360742 204240041 /nfs/dbraw/zinc/24/00/41/204240041.db2.gz WDZWYUURSHOBNH-HNNXBMFYSA-N 1 2 380.492 3.161 40 0 GGABLO CCn1c2ccccc2c2cc(NC(=O)[C@H](C)[N@@H+](C)CC(=O)N(C)C)ccc21 ZINC000007360742 204240045 /nfs/dbraw/zinc/24/00/45/204240045.db2.gz WDZWYUURSHOBNH-HNNXBMFYSA-N 1 2 380.492 3.161 40 0 GGABLO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCN(c2ccccn2)CC1 ZINC000008315475 204272422 /nfs/dbraw/zinc/27/24/22/204272422.db2.gz XNUOXIMNQLKAEW-AWEZNQCLSA-N 1 2 394.397 3.129 40 0 GGABLO CC(=O)[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000009332741 204307621 /nfs/dbraw/zinc/30/76/21/204307621.db2.gz GXCSIUNHINIJHW-VNTMZGSJSA-N 1 2 392.842 3.444 40 0 GGABLO CC(=O)[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000009332741 204307625 /nfs/dbraw/zinc/30/76/25/204307625.db2.gz GXCSIUNHINIJHW-VNTMZGSJSA-N 1 2 392.842 3.444 40 0 GGABLO C[C@@H]1CCN(C(=O)C[NH+]2CCN(c3ccc(O)cc3)CC2)c2ccccc2S1 ZINC000036384985 204320953 /nfs/dbraw/zinc/32/09/53/204320953.db2.gz ZQOGTNLLKKHIQA-QGZVFWFLSA-N 1 2 397.544 3.432 40 0 GGABLO O=C(Cc1ccccc1Cl)N1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000036708265 204324172 /nfs/dbraw/zinc/32/41/72/204324172.db2.gz YEZHVALJGLPNFL-UHFFFAOYSA-N 1 2 399.926 3.012 40 0 GGABLO O=C(Cc1ccccc1Cl)N1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000036708265 204324177 /nfs/dbraw/zinc/32/41/77/204324177.db2.gz YEZHVALJGLPNFL-UHFFFAOYSA-N 1 2 399.926 3.012 40 0 GGABLO COc1ncc(C(=O)N2CCC(c3[nH+]c(C)n4c(C)c(C)sc34)CC2)cn1 ZINC000012087563 204369994 /nfs/dbraw/zinc/36/99/94/204369994.db2.gz GYZKNQUQFNUGSZ-UHFFFAOYSA-N 1 2 385.493 3.139 40 0 GGABLO CCCc1[nH+]c2cc(NC(=O)c3sc4ncn(C)c(=O)c4c3C)ccc2n1C ZINC000012116913 204371896 /nfs/dbraw/zinc/37/18/96/204371896.db2.gz IKRBLFATGAMRLN-UHFFFAOYSA-N 1 2 395.488 3.395 40 0 GGABLO COc1ccc([C@@H](NC(=O)C2(c3ccccc3)CC2)c2[nH+]ccn2C)cc1OC ZINC000012114957 204372168 /nfs/dbraw/zinc/37/21/68/204372168.db2.gz ISQZCBWECIVQJW-HXUWFJFHSA-N 1 2 391.471 3.375 40 0 GGABLO COc1ccc(CCNC(=O)C2CCN(c3[nH+]c4ccccc4n3C)CC2)cc1 ZINC000012116326 204372242 /nfs/dbraw/zinc/37/22/42/204372242.db2.gz OIPLOSUXTGAEFL-UHFFFAOYSA-N 1 2 392.503 3.157 40 0 GGABLO CC(C)c1nnc(NC(=O)C2CCN(c3[nH+]c4ccccc4n3C)CC2)s1 ZINC000012116344 204372296 /nfs/dbraw/zinc/37/22/96/204372296.db2.gz XPLILXLDHZLSFE-UHFFFAOYSA-N 1 2 384.509 3.403 40 0 GGABLO COc1ccccc1CNC(=O)[C@H]1CCCN(c2[nH+]c3ccccc3n2C)C1 ZINC000012116437 204372714 /nfs/dbraw/zinc/37/27/14/204372714.db2.gz JEHGBWJRFWVFCE-KRWDZBQOSA-N 1 2 378.476 3.115 40 0 GGABLO COc1ccc(CNC(=O)C2CCN(c3[nH+]c4ccccc4n3C)CC2)cc1 ZINC000012116315 204372733 /nfs/dbraw/zinc/37/27/33/204372733.db2.gz UYQRNTXWRFXSDH-UHFFFAOYSA-N 1 2 378.476 3.115 40 0 GGABLO Cc1[nH+]c2ccccc2n1CCC(=O)N1[C@@H]2CC[C@H]1CC(O)(c1ccncc1)C2 ZINC000012144856 204375084 /nfs/dbraw/zinc/37/50/84/204375084.db2.gz KEBKPPBWROOSDS-LIMIJEPZSA-N 1 2 390.487 3.171 40 0 GGABLO O=C(C[N@H+]1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1)NC1CCCCC1 ZINC000012184533 204379935 /nfs/dbraw/zinc/37/99/35/204379935.db2.gz ULZBNWSEEYAXQT-INIZCTEOSA-N 1 2 391.899 3.334 40 0 GGABLO O=C(C[N@@H+]1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1)NC1CCCCC1 ZINC000012184533 204379940 /nfs/dbraw/zinc/37/99/40/204379940.db2.gz ULZBNWSEEYAXQT-INIZCTEOSA-N 1 2 391.899 3.334 40 0 GGABLO COc1ccc2[nH]c(CN3CCc4c(N)nc(N5CCCC5)[nH+]c4C3)c(C)c2c1 ZINC000012222945 204385137 /nfs/dbraw/zinc/38/51/37/204385137.db2.gz VOFHJEUEYJRMFB-UHFFFAOYSA-N 1 2 392.507 3.016 40 0 GGABLO COc1ccc2[nH]c(C[N@@H+]3CCc4c(N)nc(N5CCCC5)nc4C3)c(C)c2c1 ZINC000012222945 204385141 /nfs/dbraw/zinc/38/51/41/204385141.db2.gz VOFHJEUEYJRMFB-UHFFFAOYSA-N 1 2 392.507 3.016 40 0 GGABLO COc1ccc2[nH]c(C[N@H+]3CCc4c(N)nc(N5CCCC5)nc4C3)c(C)c2c1 ZINC000012222945 204385144 /nfs/dbraw/zinc/38/51/44/204385144.db2.gz VOFHJEUEYJRMFB-UHFFFAOYSA-N 1 2 392.507 3.016 40 0 GGABLO CNc1ncc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2c2ccncc2)cn1 ZINC000012240818 204386255 /nfs/dbraw/zinc/38/62/55/204386255.db2.gz VLUKGYYJDREUAE-OAQYLSRUSA-N 1 2 391.475 3.078 40 0 GGABLO CNc1ncc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2c2ccncc2)cn1 ZINC000012240818 204386258 /nfs/dbraw/zinc/38/62/58/204386258.db2.gz VLUKGYYJDREUAE-OAQYLSRUSA-N 1 2 391.475 3.078 40 0 GGABLO CCc1c(C)nc2cc([C@H]3CC[N@H+](Cc4cc(OC)cc(OC)c4)C3)[nH]n2c1=O ZINC000012276363 204387681 /nfs/dbraw/zinc/38/76/81/204387681.db2.gz XXKYHEQWJNIQCO-INIZCTEOSA-N 1 2 396.491 3.312 40 0 GGABLO CCc1c(C)nc2cc([C@H]3CC[N@@H+](Cc4cc(OC)cc(OC)c4)C3)[nH]n2c1=O ZINC000012276363 204387682 /nfs/dbraw/zinc/38/76/82/204387682.db2.gz XXKYHEQWJNIQCO-INIZCTEOSA-N 1 2 396.491 3.312 40 0 GGABLO CCc1c(C)nc2cc([C@@H]3CC[N@H+](Cc4ccc(OC)cc4F)C3)[nH]n2c1=O ZINC000012255410 204388207 /nfs/dbraw/zinc/38/82/07/204388207.db2.gz GNNKHXUEUAOLPO-OAHLLOKOSA-N 1 2 384.455 3.443 40 0 GGABLO CCc1c(C)nc2cc([C@@H]3CC[N@@H+](Cc4ccc(OC)cc4F)C3)[nH]n2c1=O ZINC000012255410 204388212 /nfs/dbraw/zinc/38/82/12/204388212.db2.gz GNNKHXUEUAOLPO-OAHLLOKOSA-N 1 2 384.455 3.443 40 0 GGABLO CN(CCO)C(=O)c1sc2ccccc2c1[C@@H]1C[N@H+](CC(C)(C)C)CCO1 ZINC000019696797 204670914 /nfs/dbraw/zinc/67/09/14/204670914.db2.gz IDAHSFZQRFXFMV-INIZCTEOSA-N 1 2 390.549 3.385 40 0 GGABLO CN(CCO)C(=O)c1sc2ccccc2c1[C@@H]1C[N@@H+](CC(C)(C)C)CCO1 ZINC000019696797 204670918 /nfs/dbraw/zinc/67/09/18/204670918.db2.gz IDAHSFZQRFXFMV-INIZCTEOSA-N 1 2 390.549 3.385 40 0 GGABLO O=C(c1ccccc1-c1ccccc1)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000019711263 204674238 /nfs/dbraw/zinc/67/42/38/204674238.db2.gz MMKVBIXCMFMVKD-UHFFFAOYSA-N 1 2 387.487 3.068 40 0 GGABLO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(-n4cccn4)cc3)CC2)cc1 ZINC000021476200 204756894 /nfs/dbraw/zinc/75/68/94/204756894.db2.gz KEOIQWPJHDSYFG-UHFFFAOYSA-N 1 2 390.487 3.229 40 0 GGABLO Cc1nn2c(ncc(C(=O)N3CC[NH+](C)CC3)c2C)c1-c1ccc(Cl)cc1 ZINC000038829591 205039480 /nfs/dbraw/zinc/03/94/80/205039480.db2.gz ALOWEJYBMXGNOY-UHFFFAOYSA-N 1 2 383.883 3.054 40 0 GGABLO O=C(C[NH+]1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1)Nc1cccnc1 ZINC000070641652 205023251 /nfs/dbraw/zinc/02/32/51/205023251.db2.gz QGWPHIDZHZAEFH-UHFFFAOYSA-N 1 2 381.411 3.089 40 0 GGABLO CSc1ccccc1NC(=O)C1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000070638010 205023308 /nfs/dbraw/zinc/02/33/08/205023308.db2.gz UNWZLVMTCHCMQI-UHFFFAOYSA-N 1 2 394.504 3.239 40 0 GGABLO COc1ccc(SCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1OC ZINC000038772032 205038406 /nfs/dbraw/zinc/03/84/06/205038406.db2.gz NMODQHWAICJJED-UHFFFAOYSA-N 1 2 383.473 3.298 40 0 GGABLO O=S(=O)(NCc1ccccc1-n1cc[nH+]c1)c1ccc(Br)s1 ZINC000038754846 205038432 /nfs/dbraw/zinc/03/84/32/205038432.db2.gz CXFJJWZIXJSEFU-UHFFFAOYSA-N 1 2 398.307 3.175 40 0 GGABLO O=c1c2cnc3c(-c4ccc(Cl)cc4)cnn3c2ccn1CCc1c[nH+]c[nH]1 ZINC000040397335 205064392 /nfs/dbraw/zinc/06/43/92/205064392.db2.gz FELYJKYXMSVYGR-UHFFFAOYSA-N 1 2 390.834 3.330 40 0 GGABLO O=c1c2cnc3c(-c4ccc(Cl)cc4)cnn3c2ccn1CCc1c[nH]c[nH+]1 ZINC000040397335 205064398 /nfs/dbraw/zinc/06/43/98/205064398.db2.gz FELYJKYXMSVYGR-UHFFFAOYSA-N 1 2 390.834 3.330 40 0 GGABLO O=C(C[NH+]1CCC(O)(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000057823208 205161321 /nfs/dbraw/zinc/16/13/21/205161321.db2.gz VRDFFNMLHIUZSL-UHFFFAOYSA-N 1 2 385.435 3.153 40 0 GGABLO O=c1[nH]c(-c2ccccn2)nc2c1C[N@H+](Cc1ccc3cc(F)ccc3n1)CC2 ZINC000072339902 205327993 /nfs/dbraw/zinc/32/79/93/205327993.db2.gz KCAZVDSPCLTUHI-UHFFFAOYSA-N 1 2 387.418 3.490 40 0 GGABLO O=c1[nH]c(-c2ccccn2)nc2c1C[N@@H+](Cc1ccc3cc(F)ccc3n1)CC2 ZINC000072339902 205327996 /nfs/dbraw/zinc/32/79/96/205327996.db2.gz KCAZVDSPCLTUHI-UHFFFAOYSA-N 1 2 387.418 3.490 40 0 GGABLO COc1cc(C[N@@H+]2C[C@H]3ON=C(c4ccccc4F)[C@@H]3C2)cc(OC)c1OC ZINC000072343301 205329198 /nfs/dbraw/zinc/32/91/98/205329198.db2.gz GMDXETOODYBEMH-DNVCBOLYSA-N 1 2 386.423 3.086 40 0 GGABLO COc1cc(C[N@H+]2C[C@H]3ON=C(c4ccccc4F)[C@@H]3C2)cc(OC)c1OC ZINC000072343301 205329201 /nfs/dbraw/zinc/32/92/01/205329201.db2.gz GMDXETOODYBEMH-DNVCBOLYSA-N 1 2 386.423 3.086 40 0 GGABLO CC(C)c1[nH+]ccn1-c1nccnc1[C@@H]1CCCN(C(=O)c2cccnc2)C1 ZINC000072350607 205331437 /nfs/dbraw/zinc/33/14/37/205331437.db2.gz NIISNRMSYMWEFO-QGZVFWFLSA-N 1 2 376.464 3.201 40 0 GGABLO Nc1cc(-c2c[nH]nc2[C@@H]2CCCCN2C(=O)COCc2ccccc2)cc[nH+]1 ZINC000072357472 205331827 /nfs/dbraw/zinc/33/18/27/205331827.db2.gz UJJXQEZGGUKZOS-IBGZPJMESA-N 1 2 391.475 3.324 40 0 GGABLO Nc1cc(-c2c[nH]nc2[C@H]2CCCN2C(=O)CCOc2ccccc2)cc[nH+]1 ZINC000072357493 205332075 /nfs/dbraw/zinc/33/20/75/205332075.db2.gz HGUCLWOHEMSZKI-GOSISDBHSA-N 1 2 377.448 3.187 40 0 GGABLO Nc1cc(-c2c[nH]nc2[C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)cc[nH+]1 ZINC000072357460 205332107 /nfs/dbraw/zinc/33/21/07/205332107.db2.gz WZXAIKPSLZCLPY-QGZVFWFLSA-N 1 2 391.475 3.229 40 0 GGABLO CCc1ncc(C[N@@H+]2CCC[C@@H]2c2cc(Nc3cc(C)[nH]n3)nc(C)n2)cn1 ZINC000072361473 205333489 /nfs/dbraw/zinc/33/34/89/205333489.db2.gz VNKXJFJZKOJCIX-QGZVFWFLSA-N 1 2 378.484 3.250 40 0 GGABLO CCc1ncc(C[N@H+]2CCC[C@@H]2c2cc(Nc3cc(C)[nH]n3)nc(C)n2)cn1 ZINC000072361473 205333494 /nfs/dbraw/zinc/33/34/94/205333494.db2.gz VNKXJFJZKOJCIX-QGZVFWFLSA-N 1 2 378.484 3.250 40 0 GGABLO CCc1ncc(C[N@@H+]2CCC[C@H]2c2cc(Nc3cc(C)[nH]n3)nc(C)n2)cn1 ZINC000072361474 205334353 /nfs/dbraw/zinc/33/43/53/205334353.db2.gz VNKXJFJZKOJCIX-KRWDZBQOSA-N 1 2 378.484 3.250 40 0 GGABLO CCc1ncc(C[N@H+]2CCC[C@H]2c2cc(Nc3cc(C)[nH]n3)nc(C)n2)cn1 ZINC000072361474 205334356 /nfs/dbraw/zinc/33/43/56/205334356.db2.gz VNKXJFJZKOJCIX-KRWDZBQOSA-N 1 2 378.484 3.250 40 0 GGABLO COc1ccc(Oc2cncc(C3CC[NH+](Cc4nccn4C)CC3)n2)cc1 ZINC000072362789 205335197 /nfs/dbraw/zinc/33/51/97/205335197.db2.gz NKIADAZMTWYYOV-UHFFFAOYSA-N 1 2 379.464 3.391 40 0 GGABLO COc1cccc(Oc2cncc([C@H]3CCC[N@H+](Cc4nccn4C)C3)n2)c1 ZINC000072362784 205335421 /nfs/dbraw/zinc/33/54/21/205335421.db2.gz FFWYUDDSSARVIK-INIZCTEOSA-N 1 2 379.464 3.391 40 0 GGABLO COc1cccc(Oc2cncc([C@H]3CCC[N@@H+](Cc4nccn4C)C3)n2)c1 ZINC000072362784 205335425 /nfs/dbraw/zinc/33/54/25/205335425.db2.gz FFWYUDDSSARVIK-INIZCTEOSA-N 1 2 379.464 3.391 40 0 GGABLO Nc1nc(CCC(=O)N2CCC[C@H]2c2ccc(-c3ccc(N)[nH+]c3)cn2)cs1 ZINC000072374114 205337926 /nfs/dbraw/zinc/33/79/26/205337926.db2.gz SROARSYZGGRQHK-KRWDZBQOSA-N 1 2 394.504 3.061 40 0 GGABLO CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)c3cnccn3)C2)n1 ZINC000072379184 205338889 /nfs/dbraw/zinc/33/88/89/205338889.db2.gz MHQYSWVEYXWKQB-INIZCTEOSA-N 1 2 376.464 3.201 40 0 GGABLO CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)c3cnn(C)c3)C2)n1 ZINC000072379236 205338967 /nfs/dbraw/zinc/33/89/67/205338967.db2.gz MWHDCCWTFSAMMO-INIZCTEOSA-N 1 2 378.480 3.144 40 0 GGABLO O=C(COc1ccc(F)cc1)N1CCC[C@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000072378601 205339361 /nfs/dbraw/zinc/33/93/61/205339361.db2.gz XFQMOGGANDVKNG-INIZCTEOSA-N 1 2 380.423 3.191 40 0 GGABLO CC(C)c1[nH+]ccn1-c1cncc([C@@H]2CCCN2C(=O)Cc2ccncc2)n1 ZINC000072378549 205339791 /nfs/dbraw/zinc/33/97/91/205339791.db2.gz JGSZJGDBUSTCBJ-SFHVURJKSA-N 1 2 376.464 3.087 40 0 GGABLO CCc1nnc(Nc2cc(C)nc([C@@H]3CC[N@H+](Cc4cccnc4)C3)n2)s1 ZINC000072382459 205339817 /nfs/dbraw/zinc/33/98/17/205339817.db2.gz HRMOQAXHRJZQHD-OAHLLOKOSA-N 1 2 381.509 3.327 40 0 GGABLO CCc1nnc(Nc2cc(C)nc([C@@H]3CC[N@@H+](Cc4cccnc4)C3)n2)s1 ZINC000072382459 205339822 /nfs/dbraw/zinc/33/98/22/205339822.db2.gz HRMOQAXHRJZQHD-OAHLLOKOSA-N 1 2 381.509 3.327 40 0 GGABLO COc1ccccc1C[NH2+][C@H](C)c1cc(=O)n2[nH]c(C3CCOCC3)cc2n1 ZINC000100769427 205612344 /nfs/dbraw/zinc/61/23/44/205612344.db2.gz ILHDFRORJXVMAG-CQSZACIVSA-N 1 2 382.464 3.188 40 0 GGABLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3cccc(NC(N)=O)c3)CC2)cc1 ZINC000023791734 205975508 /nfs/dbraw/zinc/97/55/08/205975508.db2.gz RNZIGRKCHRYMQS-UHFFFAOYSA-N 1 2 380.492 3.259 40 0 GGABLO Fc1ccc(-c2cc3nc4c(c(NCC[NH+]5CCOCC5)n3n2)CCCC4)cc1 ZINC000026439840 205997746 /nfs/dbraw/zinc/99/77/46/205997746.db2.gz HLVTYFIMCJDDEF-UHFFFAOYSA-N 1 2 395.482 3.158 40 0 GGABLO O=C(C[N@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCCCC1 ZINC000026462022 206002006 /nfs/dbraw/zinc/00/20/06/206002006.db2.gz XLMIUUUAOAYGPE-INIZCTEOSA-N 1 2 384.307 3.409 40 0 GGABLO O=C(C[N@@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCCCC1 ZINC000026462022 206002012 /nfs/dbraw/zinc/00/20/12/206002012.db2.gz XLMIUUUAOAYGPE-INIZCTEOSA-N 1 2 384.307 3.409 40 0 GGABLO CSc1nc(NCCOC(=O)c2snnc2-c2ccccc2)cc(C)[nH+]1 ZINC000223835023 206007317 /nfs/dbraw/zinc/00/73/17/206007317.db2.gz XUPIQYYNQRJNKC-UHFFFAOYSA-N 1 2 387.490 3.294 40 0 GGABLO CN(C)c1nc(N2CCCC2)[nH+]cc1NC(=O)c1ccccc1C(F)(F)F ZINC000224351966 206018983 /nfs/dbraw/zinc/01/89/83/206018983.db2.gz MSEFUEZHALYDRH-UHFFFAOYSA-N 1 2 379.386 3.414 40 0 GGABLO CCn1c(C)cc(C(=O)CN2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1C ZINC000027545928 206013750 /nfs/dbraw/zinc/01/37/50/206013750.db2.gz MYXZJEPXSXOSBK-UHFFFAOYSA-N 1 2 383.540 3.352 40 0 GGABLO COc1cc(NC(=S)N2CC[NH+](Cc3ccco3)CC2)c(OC)cc1Cl ZINC000225215077 206041286 /nfs/dbraw/zinc/04/12/86/206041286.db2.gz GRZRJYAHWXQFGQ-UHFFFAOYSA-N 1 2 395.912 3.465 40 0 GGABLO C[C@H](O)CNc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000028914804 206050644 /nfs/dbraw/zinc/05/06/44/206050644.db2.gz IKVWWMCFSKMDGB-LBPRGKRZSA-N 1 2 392.381 3.487 40 0 GGABLO O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000029084654 206053830 /nfs/dbraw/zinc/05/38/30/206053830.db2.gz ZCYYPQSEJIEZNO-SFHVURJKSA-N 1 2 389.293 3.252 40 0 GGABLO CCO[C@@]1(C(=O)Nc2ccc(OCC[NH+]3CCOCC3)cc2)CCC[C@@H](C)C1 ZINC000225714943 206068598 /nfs/dbraw/zinc/06/85/98/206068598.db2.gz UZPJSEZDMXAUPL-GCJKJVERSA-N 1 2 390.524 3.322 40 0 GGABLO COc1ccc(C[NH+]2CCN(C(=O)c3cc(-c4ccccc4F)on3)CC2)cc1 ZINC000030016530 206069710 /nfs/dbraw/zinc/06/97/10/206069710.db2.gz LKTWKJGCAONLPF-UHFFFAOYSA-N 1 2 395.434 3.447 40 0 GGABLO COc1ccc(CCC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1C ZINC000225599792 206060035 /nfs/dbraw/zinc/06/00/35/206060035.db2.gz JWEJIUXIBKBPCW-UHFFFAOYSA-N 1 2 382.504 3.085 40 0 GGABLO Cc1nc(C)c(C(=O)NC2CCN(c3nc(C)[nH+]c4c3CCCC4)CC2)s1 ZINC000225738590 206073402 /nfs/dbraw/zinc/07/34/02/206073402.db2.gz TVJRFJRYJBZECQ-UHFFFAOYSA-N 1 2 385.537 3.136 40 0 GGABLO COc1cccc(-c2nnsc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000225767322 206073663 /nfs/dbraw/zinc/07/36/63/206073663.db2.gz WOMNEKFPKAJRBJ-UHFFFAOYSA-N 1 2 394.500 3.172 40 0 GGABLO CCOc1cccc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000225778382 206075428 /nfs/dbraw/zinc/07/54/28/206075428.db2.gz CXHGJOJKECBEJS-UHFFFAOYSA-N 1 2 385.533 3.404 40 0 GGABLO COc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000032806188 206092840 /nfs/dbraw/zinc/09/28/40/206092840.db2.gz OEIKEWMKJKBINU-HNNXBMFYSA-N 1 2 394.475 3.002 40 0 GGABLO O=C1[C@@H]2C[C@@H](C[N@@H+]2Cc2ccc3c(c2)OCO3)Oc2ccccc2N1CC1CC1 ZINC000096111808 206116770 /nfs/dbraw/zinc/11/67/70/206116770.db2.gz FDPNHDLZLHHJOQ-HKUYNNGSSA-N 1 2 392.455 3.194 40 0 biogenic,in-vitro GGABLO O=C1[C@@H]2C[C@@H](C[N@H+]2Cc2ccc3c(c2)OCO3)Oc2ccccc2N1CC1CC1 ZINC000096111808 206116775 /nfs/dbraw/zinc/11/67/75/206116775.db2.gz FDPNHDLZLHHJOQ-HKUYNNGSSA-N 1 2 392.455 3.194 40 0 biogenic,in-vitro GGABLO COc1ccc(CN2C[C@H]3C[N@H+](Cc4ccc(Cl)cc4)CCN3C2=O)cc1 ZINC000096269121 206120631 /nfs/dbraw/zinc/12/06/31/206120631.db2.gz NVUCKLCVINYAFB-LJQANCHMSA-N 1 2 385.895 3.471 40 0 biogenic,in-vitro GGABLO COc1ccc(CN2C[C@H]3C[N@@H+](Cc4ccc(Cl)cc4)CCN3C2=O)cc1 ZINC000096269121 206120636 /nfs/dbraw/zinc/12/06/36/206120636.db2.gz NVUCKLCVINYAFB-LJQANCHMSA-N 1 2 385.895 3.471 40 0 biogenic,in-vitro GGABLO CCN(CC)C(=O)CN1CCO[C@H](c2cc(Nc3[nH+]cccc3C)cc(C)n2)C1 ZINC000257200297 206157016 /nfs/dbraw/zinc/15/70/16/206157016.db2.gz ACUFQRAWRRBNRJ-FQEVSTJZSA-N 1 2 397.523 3.079 40 0 GGABLO Cc1nc(N2CCC[C@@H](c3c4cccnc4sc3C(=O)N(C)C)C2)cc[nH+]1 ZINC000257200291 206157661 /nfs/dbraw/zinc/15/76/61/206157661.db2.gz ACTRDVJBEXNVDP-CQSZACIVSA-N 1 2 381.505 3.481 40 0 GGABLO Fc1ccccc1OCCc1cc([C@H]2C[N@H+](Cc3ccccn3)CCO2)[nH]n1 ZINC000257209565 206159396 /nfs/dbraw/zinc/15/93/96/206159396.db2.gz BQWPHGMQNPGKAR-OAQYLSRUSA-N 1 2 382.439 3.139 40 0 GGABLO Fc1ccccc1OCCc1cc([C@H]2C[N@@H+](Cc3ccccn3)CCO2)[nH]n1 ZINC000257209565 206159401 /nfs/dbraw/zinc/15/94/01/206159401.db2.gz BQWPHGMQNPGKAR-OAQYLSRUSA-N 1 2 382.439 3.139 40 0 GGABLO COc1cccc2c1OC(C)(C)[C@H]1CC3(CN(Cc4[nH+]ccn4C)C3)CO[C@H]21 ZINC000257205434 206159831 /nfs/dbraw/zinc/15/98/31/206159831.db2.gz AYZXWMXIYXKPIK-QFBILLFUSA-N 1 2 383.492 3.180 40 0 GGABLO COc1cccc2c1OC(C)(C)[C@H]1CC3(C[NH+](Cc4cncn4C)C3)CO[C@H]21 ZINC000257214048 206160630 /nfs/dbraw/zinc/16/06/30/206160630.db2.gz CKHKWNRCGPQOEL-PKOBYXMFSA-N 1 2 383.492 3.180 40 0 GGABLO COc1cccc2c1OC(C)(C)[C@H]1CC3(CN(Cc4c[nH+]cn4C)C3)CO[C@H]21 ZINC000257214048 206160634 /nfs/dbraw/zinc/16/06/34/206160634.db2.gz CKHKWNRCGPQOEL-PKOBYXMFSA-N 1 2 383.492 3.180 40 0 GGABLO Cc1noc(C)c1-c1nc(C)cc([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)n1 ZINC000257218251 206161146 /nfs/dbraw/zinc/16/11/46/206161146.db2.gz DCKBCKARJGVIMW-KRWDZBQOSA-N 1 2 380.452 3.007 40 0 GGABLO Cc1[nH+]cc(-c2nccnc2[C@H]2CCCN(C(=O)c3cc(F)cc(F)c3)C2)n1C ZINC000257221450 206161390 /nfs/dbraw/zinc/16/13/90/206161390.db2.gz DPBZSWCWWAVKNM-AWEZNQCLSA-N 1 2 397.429 3.484 40 0 GGABLO Cc1[nH+]cc(-c2nccnc2[C@@H]2CCCN(C(=O)c3ccccc3F)C2)n1C ZINC000257285884 206173013 /nfs/dbraw/zinc/17/30/13/206173013.db2.gz PJHVCORSTJAUNO-OAHLLOKOSA-N 1 2 379.439 3.344 40 0 GGABLO Cc1[nH+]cc(-c2ccc(C[C@@H]3CCCN(C(=O)c4ccccn4)C3)cn2)n1C ZINC000257286160 206173029 /nfs/dbraw/zinc/17/30/29/206173029.db2.gz PKNPEOUQXXJZMA-SFHVURJKSA-N 1 2 375.476 3.280 40 0 GGABLO CCN1C(=O)CC[C@@H](C(=O)NCCCn2cc[nH+]c2)[C@@H]1c1ccccc1Cl ZINC000257308316 206177161 /nfs/dbraw/zinc/17/71/61/206177161.db2.gz TWHLLFSWKATUCI-APWZRJJASA-N 1 2 388.899 3.043 40 0 GGABLO CO[C@H]1C[N@H+](CC(=O)Nc2nc3ccc(Cl)cc3s2)CC[C@]12CCCO2 ZINC000257309359 206177232 /nfs/dbraw/zinc/17/72/32/206177232.db2.gz UAQHXHRATRRKHT-MAUKXSAKSA-N 1 2 395.912 3.158 40 0 GGABLO CO[C@H]1C[N@@H+](CC(=O)Nc2nc3ccc(Cl)cc3s2)CC[C@]12CCCO2 ZINC000257309359 206177235 /nfs/dbraw/zinc/17/72/35/206177235.db2.gz UAQHXHRATRRKHT-MAUKXSAKSA-N 1 2 395.912 3.158 40 0 GGABLO CO[C@@H]1C[N@H+](CC(=O)Nc2nc3ccc(Cl)cc3s2)CC[C@@]12CCCO2 ZINC000257309360 206177278 /nfs/dbraw/zinc/17/72/78/206177278.db2.gz UAQHXHRATRRKHT-QAPCUYQASA-N 1 2 395.912 3.158 40 0 GGABLO CO[C@@H]1C[N@@H+](CC(=O)Nc2nc3ccc(Cl)cc3s2)CC[C@@]12CCCO2 ZINC000257309360 206177283 /nfs/dbraw/zinc/17/72/83/206177283.db2.gz UAQHXHRATRRKHT-QAPCUYQASA-N 1 2 395.912 3.158 40 0 GGABLO CO[C@@H]1C[N@H+](CC(=O)Nc2nc3ccc(Cl)cc3s2)CC[C@]12CCCO2 ZINC000257309358 206177321 /nfs/dbraw/zinc/17/73/21/206177321.db2.gz UAQHXHRATRRKHT-CRAIPNDOSA-N 1 2 395.912 3.158 40 0 GGABLO CO[C@@H]1C[N@@H+](CC(=O)Nc2nc3ccc(Cl)cc3s2)CC[C@]12CCCO2 ZINC000257309358 206177325 /nfs/dbraw/zinc/17/73/25/206177325.db2.gz UAQHXHRATRRKHT-CRAIPNDOSA-N 1 2 395.912 3.158 40 0 GGABLO Cc1nc(C)c(C(=O)N2CCO[C@H](c3cccc(-c4ccc(N)[nH+]c4)n3)C2)s1 ZINC000257317376 206177937 /nfs/dbraw/zinc/17/79/37/206177937.db2.gz VJNGKPHVEOXNER-KRWDZBQOSA-N 1 2 395.488 3.013 40 0 GGABLO Cc1[nH+]cc(-c2ccc(C[C@@H]3CCCN(C(=O)c4cccnc4)C3)cn2)n1C ZINC000257228746 206162365 /nfs/dbraw/zinc/16/23/65/206162365.db2.gz FVAYAVFVBAFSON-SFHVURJKSA-N 1 2 375.476 3.280 40 0 GGABLO Cc1c(C[N@@H+]2CCO[C@@H](c3cccc(Cc4ccccc4F)n3)C2)cnn1C ZINC000257229998 206163377 /nfs/dbraw/zinc/16/33/77/206163377.db2.gz GAHNJUFWNZIRHK-JOCHJYFZSA-N 1 2 380.467 3.427 40 0 GGABLO Cc1c(C[N@H+]2CCO[C@@H](c3cccc(Cc4ccccc4F)n3)C2)cnn1C ZINC000257229998 206163383 /nfs/dbraw/zinc/16/33/83/206163383.db2.gz GAHNJUFWNZIRHK-JOCHJYFZSA-N 1 2 380.467 3.427 40 0 GGABLO Cc1[nH+]cc(-c2nccnc2CC2CCN(C(=O)c3cccs3)CC2)n1C ZINC000257242014 206164559 /nfs/dbraw/zinc/16/45/59/206164559.db2.gz IAQRAIDEPHQIJQ-UHFFFAOYSA-N 1 2 381.505 3.342 40 0 GGABLO Cc1noc(C)c1-c1cccc(C2CCN(C(=O)CCn3cc[nH+]c3)CC2)n1 ZINC000257238337 206165034 /nfs/dbraw/zinc/16/50/34/206165034.db2.gz HKMBZLUNRKUPFK-UHFFFAOYSA-N 1 2 379.464 3.346 40 0 GGABLO CC(=O)N1CC[C@@H](c2n[nH]cc2-c2cc[nH+]c(NCc3cnc(C)s3)c2)C1 ZINC000257256807 206167909 /nfs/dbraw/zinc/16/79/09/206167909.db2.gz KMZVQRUXBBMFKC-OAHLLOKOSA-N 1 2 382.493 3.185 40 0 GGABLO COc1ccccc1-c1cccc(C[C@@]2(C(=O)NCc3[nH]cc[nH+]3)CCCO2)c1 ZINC000257261027 206168827 /nfs/dbraw/zinc/16/88/27/206168827.db2.gz LFLNWZUQAJWWOH-HSZRJFAPSA-N 1 2 391.471 3.493 40 0 GGABLO Cc1nc([C@@]2(C)CCC[N@H+](Cc3cscn3)C2)nc2c1CC(=O)N2C(C)C ZINC000257263967 206169352 /nfs/dbraw/zinc/16/93/52/206169352.db2.gz LSHQKEHJTPFDCH-FQEVSTJZSA-N 1 2 385.537 3.093 40 0 GGABLO Cc1nc([C@@]2(C)CCC[N@@H+](Cc3cscn3)C2)nc2c1CC(=O)N2C(C)C ZINC000257263967 206169356 /nfs/dbraw/zinc/16/93/56/206169356.db2.gz LSHQKEHJTPFDCH-FQEVSTJZSA-N 1 2 385.537 3.093 40 0 GGABLO CC(C)c1ccc(OCCc2cc([C@H]3CN(Cc4[nH]cc[nH+]4)CCO3)[nH]n2)cc1 ZINC000257267295 206170498 /nfs/dbraw/zinc/17/04/98/206170498.db2.gz MGQYGIAANMVHPC-OAQYLSRUSA-N 1 2 395.507 3.451 40 0 GGABLO CCc1nnc(Nc2cc(C)[nH+]c([C@@H]3CN(C(=O)C(C)C)CCO3)c2)s1 ZINC000257334735 206182046 /nfs/dbraw/zinc/18/20/46/206182046.db2.gz YHECHTVXUMRVKK-HNNXBMFYSA-N 1 2 375.498 3.103 40 0 GGABLO Cc1ccc(C[N@@H+]2CCO[C@H](c3cncc(Nc4ncccn4)n3)C2)cc1C ZINC000257318916 206179034 /nfs/dbraw/zinc/17/90/34/206179034.db2.gz VPYIPCMJAOPGHP-IBGZPJMESA-N 1 2 376.464 3.201 40 0 GGABLO Cc1ccc(C[N@H+]2CCO[C@H](c3cncc(Nc4ncccn4)n3)C2)cc1C ZINC000257318916 206179038 /nfs/dbraw/zinc/17/90/38/206179038.db2.gz VPYIPCMJAOPGHP-IBGZPJMESA-N 1 2 376.464 3.201 40 0 GGABLO Cc1noc(C)c1-c1cc(C2CCN(C(=O)CCn3cc[nH+]c3)CC2)ccn1 ZINC000257342306 206181223 /nfs/dbraw/zinc/18/12/23/206181223.db2.gz ZOBZMIWHTLSBHI-UHFFFAOYSA-N 1 2 379.464 3.346 40 0 GGABLO CC(C)NC(=O)c1c2c(n3ncc(-c4ccccc4)nc13)C[N@H+](C(C)C)CC2 ZINC000306138750 206204804 /nfs/dbraw/zinc/20/48/04/206204804.db2.gz SGHDPLPAOKATQW-UHFFFAOYSA-N 1 2 377.492 3.301 40 0 GGABLO CC(C)NC(=O)c1c2c(n3ncc(-c4ccccc4)nc13)C[N@@H+](C(C)C)CC2 ZINC000306138750 206204809 /nfs/dbraw/zinc/20/48/09/206204809.db2.gz SGHDPLPAOKATQW-UHFFFAOYSA-N 1 2 377.492 3.301 40 0 GGABLO O=C(NCC[C@H]1CCOC12C[NH+](Cc1ccccc1Cl)C2)N1CCCC1 ZINC000306139974 206204879 /nfs/dbraw/zinc/20/48/79/206204879.db2.gz UFWVMTRJPGWFOS-KRWDZBQOSA-N 1 2 377.916 3.126 40 0 GGABLO CCn1cc(C[N@H+]2C[C@H]3[C@H](C2)c2cc(-c4ccsc4)ccc2S3(=O)=O)cn1 ZINC000306138694 206205990 /nfs/dbraw/zinc/20/59/90/206205990.db2.gz SENQYRHRPUCNAF-QUCCMNQESA-N 1 2 399.541 3.387 40 0 GGABLO CCn1cc(C[N@@H+]2C[C@H]3[C@H](C2)c2cc(-c4ccsc4)ccc2S3(=O)=O)cn1 ZINC000306138694 206205995 /nfs/dbraw/zinc/20/59/95/206205995.db2.gz SENQYRHRPUCNAF-QUCCMNQESA-N 1 2 399.541 3.387 40 0 GGABLO CC(=O)N1CCC2(CC1)CN(Cc1nccs1)Cc1c2[nH+]c(C)n1C(C)C ZINC000306143909 206206647 /nfs/dbraw/zinc/20/66/47/206206647.db2.gz YQLMBWHGGQDYIO-UHFFFAOYSA-N 1 2 387.553 3.125 40 0 GGABLO Cc1ncsc1C[N@@H+]1C[C@H]2c3cc(-c4ccoc4)ccc3S(=O)(=O)[C@@H]2C1 ZINC000306142406 206206972 /nfs/dbraw/zinc/20/69/72/206206972.db2.gz WYUCDHOZYMRPFI-QFBILLFUSA-N 1 2 386.498 3.467 40 0 GGABLO Cc1ncsc1C[N@H+]1C[C@H]2c3cc(-c4ccoc4)ccc3S(=O)(=O)[C@@H]2C1 ZINC000306142406 206206977 /nfs/dbraw/zinc/20/69/77/206206977.db2.gz WYUCDHOZYMRPFI-QFBILLFUSA-N 1 2 386.498 3.467 40 0 GGABLO COc1ncccc1C[N@@H+]1C[C@H]2[C@H](C1)N(Cc1cccs1)C(=O)c1cccn12 ZINC000306143919 206207383 /nfs/dbraw/zinc/20/73/83/206207383.db2.gz YQQUCYRDKSEMCT-OALUTQOASA-N 1 2 394.500 3.035 40 0 GGABLO COc1ncccc1C[N@H+]1C[C@H]2[C@H](C1)N(Cc1cccs1)C(=O)c1cccn12 ZINC000306143919 206207386 /nfs/dbraw/zinc/20/73/86/206207386.db2.gz YQQUCYRDKSEMCT-OALUTQOASA-N 1 2 394.500 3.035 40 0 GGABLO Cc1ccc(-c2ccc3c([C@H]4CN(c5ccc(C)nn5)CC[N@H+]4C)nnn3c2)cc1 ZINC000306143891 206207502 /nfs/dbraw/zinc/20/75/02/206207502.db2.gz YPTNUUUOAWZSOJ-OAQYLSRUSA-N 1 2 399.502 3.296 40 0 GGABLO Cc1ccc(-c2ccc3c([C@H]4CN(c5ccc(C)nn5)CC[N@@H+]4C)nnn3c2)cc1 ZINC000306143891 206207506 /nfs/dbraw/zinc/20/75/06/206207506.db2.gz YPTNUUUOAWZSOJ-OAQYLSRUSA-N 1 2 399.502 3.296 40 0 GGABLO COc1ncccc1C[N@@H+]1C[C@@H]2[C@H](C1)N(Cc1cccs1)C(=O)c1cccn12 ZINC000306143918 206207529 /nfs/dbraw/zinc/20/75/29/206207529.db2.gz YQQUCYRDKSEMCT-MOPGFXCFSA-N 1 2 394.500 3.035 40 0 GGABLO COc1ncccc1C[N@H+]1C[C@@H]2[C@H](C1)N(Cc1cccs1)C(=O)c1cccn12 ZINC000306143918 206207533 /nfs/dbraw/zinc/20/75/33/206207533.db2.gz YQQUCYRDKSEMCT-MOPGFXCFSA-N 1 2 394.500 3.035 40 0 GGABLO Cc1cccc(C[N@@H+]2C[C@H]3c4cc(-c5ccoc5)ccc4S(=O)(=O)[C@@H]3C2)n1 ZINC000306128843 206198806 /nfs/dbraw/zinc/19/88/06/206198806.db2.gz HMKVHTWUSGWAAF-PZJWPPBQSA-N 1 2 380.469 3.405 40 0 GGABLO Cc1cccc(C[N@H+]2C[C@H]3c4cc(-c5ccoc5)ccc4S(=O)(=O)[C@@H]3C2)n1 ZINC000306128843 206198810 /nfs/dbraw/zinc/19/88/10/206198810.db2.gz HMKVHTWUSGWAAF-PZJWPPBQSA-N 1 2 380.469 3.405 40 0 GGABLO Cc1cccc(C[N@@H+]2C[C@H]3c4cc(-c5ccoc5)ccc4S(=O)(=O)[C@H]3C2)n1 ZINC000306128842 206200030 /nfs/dbraw/zinc/20/00/30/206200030.db2.gz HMKVHTWUSGWAAF-FPOVZHCZSA-N 1 2 380.469 3.405 40 0 GGABLO Cc1cccc(C[N@H+]2C[C@H]3c4cc(-c5ccoc5)ccc4S(=O)(=O)[C@H]3C2)n1 ZINC000306128842 206200034 /nfs/dbraw/zinc/20/00/34/206200034.db2.gz HMKVHTWUSGWAAF-FPOVZHCZSA-N 1 2 380.469 3.405 40 0 GGABLO Cc1ccc([C@@H](C)CC[N@@H+]2C[C@]3(F)CN(CC4CCOCC4)C(=O)[C@]3(F)C2)o1 ZINC000306133037 206201230 /nfs/dbraw/zinc/20/12/30/206201230.db2.gz LZUBAQDLAZAUBP-ONGXBYRLSA-N 1 2 396.478 3.083 40 0 GGABLO Cc1ccc([C@@H](C)CC[N@H+]2C[C@]3(F)CN(CC4CCOCC4)C(=O)[C@]3(F)C2)o1 ZINC000306133037 206201233 /nfs/dbraw/zinc/20/12/33/206201233.db2.gz LZUBAQDLAZAUBP-ONGXBYRLSA-N 1 2 396.478 3.083 40 0 GGABLO Cn1cc(C[NH+]2CCN(c3cnn4ccc(-c5ccc(F)cc5)cc34)CC2)cn1 ZINC000306132731 206202061 /nfs/dbraw/zinc/20/20/61/206202061.db2.gz LQNQIFZYJBGDEQ-UHFFFAOYSA-N 1 2 390.466 3.196 40 0 GGABLO Cn1ccc(C(=O)N2CCC3(CCc4[nH+]cc(-c5ccsc5)n4C3)CC2)n1 ZINC000306136672 206202705 /nfs/dbraw/zinc/20/27/05/206202705.db2.gz PZPMEEDSCGBHED-UHFFFAOYSA-N 1 2 381.505 3.214 40 0 GGABLO O=C(NCC1CC1)c1nc([C@@H]2CCC[N@@H+]2Cc2ccccn2)n2ccccc12 ZINC000306135780 206203598 /nfs/dbraw/zinc/20/35/98/206203598.db2.gz PALVTUSBMXEJTO-IBGZPJMESA-N 1 2 375.476 3.206 40 0 GGABLO O=C(NCC1CC1)c1nc([C@@H]2CCC[N@H+]2Cc2ccccn2)n2ccccc12 ZINC000306135780 206203601 /nfs/dbraw/zinc/20/36/01/206203601.db2.gz PALVTUSBMXEJTO-IBGZPJMESA-N 1 2 375.476 3.206 40 0 GGABLO Cc1ncc(-c2ccncc2)c([C@@H]2CCC[N@H+](CC(=O)Nc3nccs3)C2)n1 ZINC000012118565 221153444 /nfs/dbraw/zinc/15/34/44/221153444.db2.gz OEDSWBDOPQBGPU-MRXNPFEDSA-N 1 2 394.504 3.122 40 0 GGABLO Cc1ncc(-c2ccncc2)c([C@@H]2CCC[N@@H+](CC(=O)Nc3nccs3)C2)n1 ZINC000012118565 221153446 /nfs/dbraw/zinc/15/34/46/221153446.db2.gz OEDSWBDOPQBGPU-MRXNPFEDSA-N 1 2 394.504 3.122 40 0 GGABLO Cc1ncc(-c2ccncc2)c([C@H]2CCC[N@H+](CC(=O)Nc3nccs3)C2)n1 ZINC000012118567 221153699 /nfs/dbraw/zinc/15/36/99/221153699.db2.gz OEDSWBDOPQBGPU-INIZCTEOSA-N 1 2 394.504 3.122 40 0 GGABLO Cc1ncc(-c2ccncc2)c([C@H]2CCC[N@@H+](CC(=O)Nc3nccs3)C2)n1 ZINC000012118567 221153702 /nfs/dbraw/zinc/15/37/02/221153702.db2.gz OEDSWBDOPQBGPU-INIZCTEOSA-N 1 2 394.504 3.122 40 0 GGABLO CCc1cccc2c(C[N@@H+]3CCc4c(=O)[nH]c(-c5ccccn5)nc4C3)c[nH]c21 ZINC000012120696 221154010 /nfs/dbraw/zinc/15/40/10/221154010.db2.gz CYKXSTGCENPSLR-UHFFFAOYSA-N 1 2 385.471 3.434 40 0 GGABLO CCc1cccc2c(C[N@H+]3CCc4c(=O)[nH]c(-c5ccccn5)nc4C3)c[nH]c21 ZINC000012120696 221154011 /nfs/dbraw/zinc/15/40/11/221154011.db2.gz CYKXSTGCENPSLR-UHFFFAOYSA-N 1 2 385.471 3.434 40 0 GGABLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000012799974 221233360 /nfs/dbraw/zinc/23/33/60/221233360.db2.gz YXEHAEHCNDQXQM-UHFFFAOYSA-N 1 2 387.311 3.011 40 0 GGABLO O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000068371546 136165145 /nfs/dbraw/zinc/16/51/45/136165145.db2.gz QAJMZVUJVQQQNB-UHFFFAOYSA-N 1 2 399.922 3.135 40 0 GGABLO Cc1cccc(N2CC[NH+]([C@@H]3CC(=O)N(c4cccc(Cl)c4)C3=O)CC2)c1C ZINC000102840332 136196501 /nfs/dbraw/zinc/19/65/01/136196501.db2.gz AQHORTVBMITFBL-HXUWFJFHSA-N 1 2 397.906 3.411 40 0 GGABLO O=C(Nc1c[nH]c2cc(Cl)ccc2c1=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000013565975 136201170 /nfs/dbraw/zinc/20/11/70/136201170.db2.gz IBMLNXMZCJENQH-UHFFFAOYSA-N 1 2 383.839 3.343 40 0 GGABLO O=c1[nH]c2cc3c(cc2cc1C[NH2+]c1ccc(N2CCOCC2)cc1)CCC3 ZINC000013563480 136201309 /nfs/dbraw/zinc/20/13/09/136201309.db2.gz VHSRWCUVLKBRMF-UHFFFAOYSA-N 1 2 375.472 3.466 40 0 GGABLO CN(C)c1nc(N2CCCCC2)[nH+]cc1NC(=O)COc1ccc(Cl)cc1 ZINC000224356926 136206918 /nfs/dbraw/zinc/20/69/18/136206918.db2.gz AYYGXCMHRVGQOL-UHFFFAOYSA-N 1 2 389.887 3.204 40 0 GGABLO CC(C)c1nnc(NC(=O)[C@@H]2CCCN(c3[nH+]c4ccccc4n3C)C2)s1 ZINC000072347666 222234693 /nfs/dbraw/zinc/23/46/93/222234693.db2.gz MOYHIZHKIPLGLQ-CYBMUJFWSA-N 1 2 384.509 3.403 40 0 GGABLO COC(=O)c1c2c(sc1NC(=O)c1ccccc1SC)C[N@@H+](C)CC2 ZINC000408564265 533705462 /nfs/dbraw/zinc/70/54/62/533705462.db2.gz ULQYCXCFSFKSKP-UHFFFAOYSA-N 1 2 376.503 3.497 40 0 GGABLO COC(=O)c1c2c(sc1NC(=O)c1ccccc1SC)C[N@H+](C)CC2 ZINC000408564265 533705469 /nfs/dbraw/zinc/70/54/69/533705469.db2.gz ULQYCXCFSFKSKP-UHFFFAOYSA-N 1 2 376.503 3.497 40 0 GGABLO CCCS(=O)(=O)c1ccccc1C(=O)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000025180668 520545987 /nfs/dbraw/zinc/54/59/87/520545987.db2.gz MJECHLWBWBAMFS-UHFFFAOYSA-N 1 2 383.473 3.367 40 0 GGABLO CC(C)[C@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000013504562 535170318 /nfs/dbraw/zinc/17/03/18/535170318.db2.gz LQFUALPVJCJFFB-OAQYLSRUSA-N 1 2 376.508 3.241 40 0 GGABLO CN1C(=O)c2ccc(F)cc2O[C@H]2C[N@@H+](Cc3cc(-c4ccccc4)no3)C[C@H]21 ZINC000514290177 560030213 /nfs/dbraw/zinc/03/02/13/560030213.db2.gz UEESGANSMFMVLR-CTNGQTDRSA-N 1 2 393.418 3.198 40 0 biogenic,in-vitro GGABLO CN1C(=O)c2ccc(F)cc2O[C@H]2C[N@H+](Cc3cc(-c4ccccc4)no3)C[C@H]21 ZINC000514290177 560030214 /nfs/dbraw/zinc/03/02/14/560030214.db2.gz UEESGANSMFMVLR-CTNGQTDRSA-N 1 2 393.418 3.198 40 0 biogenic,in-vitro GGABLO FC(F)(F)c1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3[nH]cc[nH+]3)n2)cc1 ZINC000067898592 560049729 /nfs/dbraw/zinc/04/97/29/560049729.db2.gz POXOKROGIYHJHQ-HNNXBMFYSA-N 1 2 377.370 3.392 40 0 biogenic,in-vitro GGABLO FC(F)(F)Oc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3c[nH+]c[nH]3)n2)cc1 ZINC000067898717 560049746 /nfs/dbraw/zinc/04/97/46/560049746.db2.gz ZFTJFMUUKHCYHW-INIZCTEOSA-N 1 2 393.369 3.272 40 0 biogenic,in-vitro GGABLO FC(F)(F)Oc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3c[nH]c[nH+]3)n2)cc1 ZINC000067898717 560049747 /nfs/dbraw/zinc/04/97/47/560049747.db2.gz ZFTJFMUUKHCYHW-INIZCTEOSA-N 1 2 393.369 3.272 40 0 biogenic,in-vitro GGABLO c1c(CC2([NH2+]Cc3cccc4c3OCO4)COC2)noc1COc1ccccc1 ZINC000067898175 560050006 /nfs/dbraw/zinc/05/00/06/560050006.db2.gz JZMIWNZBQGVWKB-UHFFFAOYSA-N 1 2 394.427 3.084 40 0 biogenic,in-vitro GGABLO COC(=O)[C@@H]1Cc2[nH+]cn(C(C)C)c2CN1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000015676538 560094616 /nfs/dbraw/zinc/09/46/16/560094616.db2.gz HRYDSWQNMSMHJA-HNNXBMFYSA-N 1 2 395.381 3.223 40 0 biogenic,in-vitro GGABLO Cc1ccc(-c2noc([C@@H]3Cc4[nH]c[nH+]c4CN3C(=O)c3ccco3)n2)cc1 ZINC000015675792 560094826 /nfs/dbraw/zinc/09/48/26/560094826.db2.gz JCXLLZQACIRHSW-INIZCTEOSA-N 1 2 375.388 3.301 40 0 biogenic,in-vitro GGABLO Cc1ccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3C(=O)c3ccco3)n2)cc1 ZINC000015675792 560094828 /nfs/dbraw/zinc/09/48/28/560094828.db2.gz JCXLLZQACIRHSW-INIZCTEOSA-N 1 2 375.388 3.301 40 0 biogenic,in-vitro GGABLO COc1ccc(CN2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3ccncc3)no2)cc1 ZINC000015675626 560094947 /nfs/dbraw/zinc/09/49/47/560094947.db2.gz XEHXOYKGBSNUPM-IBGZPJMESA-N 1 2 388.431 3.163 40 0 biogenic,in-vitro GGABLO Cc1[nH]c(=S)sc1CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000014404601 564282842 /nfs/dbraw/zinc/28/28/42/564282842.db2.gz WPXBEDGFEJGYFT-OAHLLOKOSA-N 1 2 376.482 3.435 40 0 GGABLO C[NH+](C)c1ccc(N[C@@H]2CC(=O)N(c3cccc(Br)c3)C2=O)cc1 ZINC000017877551 564299326 /nfs/dbraw/zinc/29/93/26/564299326.db2.gz PHGUZMOJYRXFSI-MRXNPFEDSA-N 1 2 388.265 3.259 40 0 GGABLO C[N@@H+]1CCc2nc(NC(=O)Cc3csc(-c4ccsc4)n3)sc2C1 ZINC000039984283 564425490 /nfs/dbraw/zinc/42/54/90/564425490.db2.gz RFQUVPLXOPOSAT-UHFFFAOYSA-N 1 2 376.532 3.497 40 0 GGABLO C[N@H+]1CCc2nc(NC(=O)Cc3csc(-c4ccsc4)n3)sc2C1 ZINC000039984283 564425492 /nfs/dbraw/zinc/42/54/92/564425492.db2.gz RFQUVPLXOPOSAT-UHFFFAOYSA-N 1 2 376.532 3.497 40 0 GGABLO O=S(=O)(Cc1c(F)cccc1Cl)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000216487456 565896171 /nfs/dbraw/zinc/89/61/71/565896171.db2.gz FQOBVBBSFLXIRV-UHFFFAOYSA-N 1 2 379.844 3.284 40 0 GGABLO COc1ccc(Br)c([C@@H](CO)[N@H+](C)Cc2ccc3c[nH]nc3c2)c1 ZINC000449467364 566566021 /nfs/dbraw/zinc/56/60/21/566566021.db2.gz APGLCBKSTKSYTJ-GOSISDBHSA-N 1 2 390.281 3.499 40 0 GGABLO COc1ccc(Br)c([C@@H](CO)[N@@H+](C)Cc2ccc3c[nH]nc3c2)c1 ZINC000449467364 566566026 /nfs/dbraw/zinc/56/60/26/566566026.db2.gz APGLCBKSTKSYTJ-GOSISDBHSA-N 1 2 390.281 3.499 40 0 GGABLO O=S(=O)(c1ccccc1)N1C[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)[C@@H]2C1 ZINC000096080473 570210023 /nfs/dbraw/zinc/21/00/23/570210023.db2.gz SEVGPOIDTPYZCU-MAUKXSAKSA-N 1 2 396.434 3.210 40 0 GGABLO O=S(=O)(c1ccccc1)N1C[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)[C@@H]2C1 ZINC000096080473 570210024 /nfs/dbraw/zinc/21/00/24/570210024.db2.gz SEVGPOIDTPYZCU-MAUKXSAKSA-N 1 2 396.434 3.210 40 0 GGABLO Cc1ccc2nc(-c3ccccn3)cc(C(=O)N[C@H](C)C[NH+]3CCOCC3)c2c1 ZINC000019719135 570210291 /nfs/dbraw/zinc/21/02/91/570210291.db2.gz ZZIKMEGXZJBFJA-QGZVFWFLSA-N 1 2 390.487 3.056 40 0 GGABLO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000012795573 570217425 /nfs/dbraw/zinc/21/74/25/570217425.db2.gz MRINXMWZIVZGLO-INIZCTEOSA-N 1 2 394.471 3.380 40 0 GGABLO CCOC(=O)/C=C/c1ccc(NC(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000048065990 570218149 /nfs/dbraw/zinc/21/81/49/570218149.db2.gz GGOYGKWOFVLHHB-JXMROGBWSA-N 1 2 394.475 3.008 40 0 GGABLO Cc1noc(C)c1CN1CCO[C@H]2C[N@H+](Cc3ccc(Cl)c(F)c3)C[C@H]21 ZINC000096248828 570223938 /nfs/dbraw/zinc/22/39/38/570223938.db2.gz PBLUDKIZBSNRPQ-MOPGFXCFSA-N 1 2 379.863 3.169 40 0 GGABLO Cc1noc(C)c1CN1CCO[C@H]2C[N@@H+](Cc3ccc(Cl)c(F)c3)C[C@H]21 ZINC000096248828 570223943 /nfs/dbraw/zinc/22/39/43/570223943.db2.gz PBLUDKIZBSNRPQ-MOPGFXCFSA-N 1 2 379.863 3.169 40 0 GGABLO Cn1cc(-c2nc3c(c(NC4CC4)n2)C[N@H+](Cc2ccc(F)cc2)CC3)cn1 ZINC000096254202 570224941 /nfs/dbraw/zinc/22/49/41/570224941.db2.gz GOWMRJILNKSORN-UHFFFAOYSA-N 1 2 378.455 3.149 40 0 GGABLO Cn1cc(-c2nc3c(c(NC4CC4)n2)C[N@@H+](Cc2ccc(F)cc2)CC3)cn1 ZINC000096254202 570224944 /nfs/dbraw/zinc/22/49/44/570224944.db2.gz GOWMRJILNKSORN-UHFFFAOYSA-N 1 2 378.455 3.149 40 0 GGABLO CC(C)Nc1nc(NC2CC2)c2c([nH+]1)CCN(C(=O)c1ccc(N(C)C)cc1)C2 ZINC000096254181 570225063 /nfs/dbraw/zinc/22/50/63/570225063.db2.gz MYTUSZZDGRVBHS-UHFFFAOYSA-N 1 2 394.523 3.136 40 0 GGABLO Cn1c(CCc2[nH]c3ccccc3[nH+]2)nnc1SCC(=O)OC1CCCCC1 ZINC000000929960 570229908 /nfs/dbraw/zinc/22/99/08/570229908.db2.gz YNNVHBVJXYBPKY-UHFFFAOYSA-N 1 2 399.520 3.445 40 0 GGABLO COc1ccc(SCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000020042057 570236993 /nfs/dbraw/zinc/23/69/93/570236993.db2.gz OHUMFYOGWWPPAT-UHFFFAOYSA-N 1 2 386.517 3.140 40 0 GGABLO O=C(CCc1ccccc1)NC1CC[NH+](CC(=O)Nc2ccccc2Cl)CC1 ZINC000048367690 570247188 /nfs/dbraw/zinc/24/71/88/570247188.db2.gz ASHKYXKEMOQICC-UHFFFAOYSA-N 1 2 399.922 3.492 40 0 GGABLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@@H](Cc2cccc(Nc3ccccn3)n2)C1 ZINC000585290467 570258749 /nfs/dbraw/zinc/25/87/49/570258749.db2.gz BPIPMCUMNZPLSO-FVNWOWOISA-N 1 2 388.475 3.438 40 0 GGABLO Cc1cccc(O[C@@H](C)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1C ZINC000020456814 570259088 /nfs/dbraw/zinc/25/90/88/570259088.db2.gz CBGAKKKQPPOFER-SFHVURJKSA-N 1 2 396.487 3.144 40 0 GGABLO CCOC(=O)c1ccc(C)c(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000020457298 570259668 /nfs/dbraw/zinc/25/96/68/570259668.db2.gz WWOXNVYSEWYVSM-UHFFFAOYSA-N 1 2 382.460 3.256 40 0 GGABLO Cc1ccc(CSCCNC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000020481645 570261327 /nfs/dbraw/zinc/26/13/27/570261327.db2.gz MMXSIQPBQZXFKN-UHFFFAOYSA-N 1 2 384.545 3.490 40 0 GGABLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC(c2nc(-c3cccs3)no2)C1 ZINC000049483940 570267916 /nfs/dbraw/zinc/26/79/16/570267916.db2.gz BVNUFNZTLYLUOR-UHFFFAOYSA-N 1 2 391.456 3.283 40 0 GGABLO O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCC[NH+]1CCOCC1 ZINC000020567784 570268319 /nfs/dbraw/zinc/26/83/19/570268319.db2.gz YATGONABUNURJH-UHFFFAOYSA-N 1 2 383.879 3.439 40 0 GGABLO CCc1cc(=O)n2[nH]c([C@H]3CC[N@H+](Cc4ccc(OCCOC)cc4)C3)cc2n1 ZINC000100727506 570275368 /nfs/dbraw/zinc/27/53/68/570275368.db2.gz UUZNHPMIWDJXIC-KRWDZBQOSA-N 1 2 396.491 3.012 40 0 GGABLO CCc1cc(=O)n2[nH]c([C@H]3CC[N@@H+](Cc4ccc(OCCOC)cc4)C3)cc2n1 ZINC000100727506 570275369 /nfs/dbraw/zinc/27/53/69/570275369.db2.gz UUZNHPMIWDJXIC-KRWDZBQOSA-N 1 2 396.491 3.012 40 0 GGABLO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)[C@@H](C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000102697747 570291447 /nfs/dbraw/zinc/29/14/47/570291447.db2.gz AFNCSBRJNIEALE-IJLUTSLNSA-N 1 2 393.871 3.044 40 0 GGABLO Cc1cccc(CSCCNC(=O)c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000216401527 570300970 /nfs/dbraw/zinc/30/09/70/570300970.db2.gz BIWADPDMRXJIFA-UHFFFAOYSA-N 1 2 384.545 3.490 40 0 GGABLO CCOC(=O)C1C(C[N@H+](C)Cc2ccccc2F)=NC(=O)N[C@@H]1c1ccccc1 ZINC000022060008 570303665 /nfs/dbraw/zinc/30/36/65/570303665.db2.gz UTQXWHOHNNOXLK-HXUWFJFHSA-N 1 2 397.450 3.129 40 0 GGABLO CCOC(=O)C1C(C[N@@H+](C)Cc2ccccc2F)=NC(=O)N[C@@H]1c1ccccc1 ZINC000022060008 570303666 /nfs/dbraw/zinc/30/36/66/570303666.db2.gz UTQXWHOHNNOXLK-HXUWFJFHSA-N 1 2 397.450 3.129 40 0 GGABLO Cn1cc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c(=O)c2ccccc21 ZINC000022234273 570308844 /nfs/dbraw/zinc/30/88/44/570308844.db2.gz FEWJRTGYOAURMQ-JXMROGBWSA-N 1 2 387.483 3.010 40 0 GGABLO CCn1cc(C(=O)NCCCn2cc[nH+]c2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236989 570309471 /nfs/dbraw/zinc/30/94/71/570309471.db2.gz SFTJKAYYYRNMCF-UHFFFAOYSA-N 1 2 392.381 3.057 40 0 GGABLO CC(=O)N1CCCC[C@H]1c1ccc[nH+]c1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216497 570317532 /nfs/dbraw/zinc/31/75/32/570317532.db2.gz AJZDIICKHYIABQ-SFHVURJKSA-N 1 2 388.512 3.212 40 0 GGABLO COc1cc(C(=O)N2CC[NH+](CCOc3ccccc3Cl)CC2)ccc1C ZINC000024874294 570322076 /nfs/dbraw/zinc/32/20/76/570322076.db2.gz ZHYICKWLWRQZIM-UHFFFAOYSA-N 1 2 388.895 3.494 40 0 GGABLO COc1cc2c(cc1OC)C[N@@H+]([C@H]1CC(=O)N(c3ccc(C)c(C)c3)C1=O)CC2 ZINC000022609139 570323236 /nfs/dbraw/zinc/32/32/36/570323236.db2.gz BAMQWIQXBHLQFR-IBGZPJMESA-N 1 2 394.471 3.011 40 0 GGABLO COc1cc2c(cc1OC)C[N@H+]([C@H]1CC(=O)N(c3ccc(C)c(C)c3)C1=O)CC2 ZINC000022609139 570323237 /nfs/dbraw/zinc/32/32/37/570323237.db2.gz BAMQWIQXBHLQFR-IBGZPJMESA-N 1 2 394.471 3.011 40 0 GGABLO CC(C)CNC(=O)c1ccccc1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000110617339 570324131 /nfs/dbraw/zinc/32/41/31/570324131.db2.gz PQQTYAGSPUEHTE-UHFFFAOYSA-N 1 2 395.503 3.157 40 0 GGABLO COc1cc(C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)ccc1C ZINC000023642597 570328881 /nfs/dbraw/zinc/32/88/81/570328881.db2.gz ZWARMPZRJGEFHV-UHFFFAOYSA-N 1 2 388.895 3.494 40 0 GGABLO O=C(Cc1c[nH]c2ccccc12)N1CCC(c2nccnc2-n2cc[nH+]c2)CC1 ZINC000072350670 570338948 /nfs/dbraw/zinc/33/89/48/570338948.db2.gz DPVVSOCTOCYRBU-UHFFFAOYSA-N 1 2 386.459 3.092 40 0 GGABLO COC(=O)c1c(NC(=O)CSCc2ccccc2)sc2c1CC[N@H+](C)C2 ZINC000408575717 570342653 /nfs/dbraw/zinc/34/26/53/570342653.db2.gz PUDJDAPGGFBTSS-UHFFFAOYSA-N 1 2 390.530 3.395 40 0 GGABLO COC(=O)c1c(NC(=O)CSCc2ccccc2)sc2c1CC[N@@H+](C)C2 ZINC000408575717 570342655 /nfs/dbraw/zinc/34/26/55/570342655.db2.gz PUDJDAPGGFBTSS-UHFFFAOYSA-N 1 2 390.530 3.395 40 0 GGABLO CC(=O)c1ccc(N2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC2)c(F)c1 ZINC000024050571 570344452 /nfs/dbraw/zinc/34/44/52/570344452.db2.gz NBHSDOPXZAJNTQ-UHFFFAOYSA-N 1 2 392.434 3.176 40 0 GGABLO COc1ccccc1N1CC[NH+]([C@H](c2nnnn2C2CCCC2)C(C)C)CC1 ZINC000057669605 570367097 /nfs/dbraw/zinc/36/70/97/570367097.db2.gz MTKJZJPHKRLLAB-FQEVSTJZSA-N 1 2 384.528 3.316 40 0 GGABLO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057670296 570367937 /nfs/dbraw/zinc/36/79/37/570367937.db2.gz CPZALNUVTAZDIR-WOJBJXKFSA-N 1 2 398.555 3.132 40 0 GGABLO CC(C)[C@@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057670655 570368313 /nfs/dbraw/zinc/36/83/13/570368313.db2.gz LXFCHCRZIJSFRJ-NRFANRHFSA-N 1 2 394.498 3.380 40 0 GGABLO CC[C@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057670579 570368348 /nfs/dbraw/zinc/36/83/48/570368348.db2.gz OTZOPORYMROEAX-HXUWFJFHSA-N 1 2 380.471 3.134 40 0 GGABLO CC(C)C[C@H](c1nnnn1Cc1ccco1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057671289 570368631 /nfs/dbraw/zinc/36/86/31/570368631.db2.gz XQSKKBGDVHTDJA-HXUWFJFHSA-N 1 2 398.486 3.363 40 0 GGABLO COc1ccc(Cn2nnnc2[C@H](c2ccncc2)[NH+]2CCCCCC2)cc1 ZINC000057710756 570370550 /nfs/dbraw/zinc/37/05/50/570370550.db2.gz SNXMTPPSZHBHOT-FQEVSTJZSA-N 1 2 378.480 3.090 40 0 GGABLO CCOc1cc2c(cc1C[N@H+](CCN1CCOCC1)Cc1cccnc1)CCC2 ZINC000022931499 570379536 /nfs/dbraw/zinc/37/95/36/570379536.db2.gz ROYYJCUZPFCXJT-UHFFFAOYSA-N 1 2 395.547 3.303 40 0 GGABLO CCOc1cc2c(cc1C[N@@H+](CCN1CCOCC1)Cc1cccnc1)CCC2 ZINC000022931499 570379538 /nfs/dbraw/zinc/37/95/38/570379538.db2.gz ROYYJCUZPFCXJT-UHFFFAOYSA-N 1 2 395.547 3.303 40 0 GGABLO CCOc1cc2c(cc1CN(CC[NH+]1CCOCC1)Cc1cccnc1)CCC2 ZINC000022931499 570379540 /nfs/dbraw/zinc/37/95/40/570379540.db2.gz ROYYJCUZPFCXJT-UHFFFAOYSA-N 1 2 395.547 3.303 40 0 GGABLO Cc1cc(C)cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@@H]3C(=O)c2ccccc2)c1 ZINC000101246718 570387398 /nfs/dbraw/zinc/38/73/98/570387398.db2.gz RXFYHRRDRDQGTJ-BQJUDKOJSA-N 1 2 388.467 3.139 40 0 GGABLO Cc1cc(C)cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@@H]3C(=O)c2ccccc2)c1 ZINC000101246718 570387400 /nfs/dbraw/zinc/38/74/00/570387400.db2.gz RXFYHRRDRDQGTJ-BQJUDKOJSA-N 1 2 388.467 3.139 40 0 GGABLO O=C(CCc1ccc(Cl)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000024615620 570388152 /nfs/dbraw/zinc/38/81/52/570388152.db2.gz IBGAPBYTUCZIOV-UHFFFAOYSA-N 1 2 386.879 3.346 40 0 GGABLO COc1cc(C)c(C[NH+]2CCN(C(=O)/C=C/c3cccs3)CC2)cc1OC ZINC000014252663 570393813 /nfs/dbraw/zinc/39/38/13/570393813.db2.gz LYBLDAIYNMTJAW-VOTSOKGWSA-N 1 2 386.517 3.431 40 0 GGABLO CCOc1ccccc1N1CC[NH+]([C@H](C)C(=O)NCc2ccccc2C)CC1 ZINC000025510919 570414939 /nfs/dbraw/zinc/41/49/39/570414939.db2.gz YNIUTIYAIHNQCL-LJQANCHMSA-N 1 2 381.520 3.221 40 0 GGABLO CC1CC[NH+](Cc2csc(NC(=O)c3cn(Cc4ccccc4)nn3)n2)CC1 ZINC000026362553 570424933 /nfs/dbraw/zinc/42/49/33/570424933.db2.gz PNOICVRMZWPQSI-UHFFFAOYSA-N 1 2 396.520 3.267 40 0 GGABLO O=C(c1ccc(C(F)(F)F)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000026539167 570426547 /nfs/dbraw/zinc/42/65/47/570426547.db2.gz WZNSZNQAFLSPAU-UHFFFAOYSA-N 1 2 392.377 3.392 40 0 GGABLO O=C(COc1cccc2c1CCCC2)NCc1ccccc1C[NH+]1CCOCC1 ZINC000223185208 570448511 /nfs/dbraw/zinc/44/85/11/570448511.db2.gz KIAVCPFVPINTSG-UHFFFAOYSA-N 1 2 394.515 3.093 40 0 GGABLO C[C@H](Sc1ccccc1)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000026538870 570471479 /nfs/dbraw/zinc/47/14/79/570471479.db2.gz NPRVYEIOMHSRTE-INIZCTEOSA-N 1 2 384.501 3.240 40 0 GGABLO COc1ccc(CCNC(=O)CCn2c[nH+]c3cc(C)c(C)cc32)cc1OC ZINC000000880785 570508059 /nfs/dbraw/zinc/50/80/59/570508059.db2.gz GRJXRMJSTCBTCJ-UHFFFAOYSA-N 1 2 381.476 3.419 40 0 GGABLO Cc1cc2cc([C@H](c3nnnn3C3CCCC3)[NH+]3CCCC3)c(=O)[nH]c2cc1C ZINC000000893705 570512732 /nfs/dbraw/zinc/51/27/32/570512732.db2.gz ICNLZFYFSGRWQG-HXUWFJFHSA-N 1 2 392.507 3.432 40 0 GGABLO CC(C)CSc1nnc(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000224724815 570526924 /nfs/dbraw/zinc/52/69/24/570526924.db2.gz YCGVIBVCJKHJSD-UHFFFAOYSA-N 1 2 392.550 3.371 40 0 GGABLO Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccccc2)[N@H+]2CCC[C@@H]32)cc1C ZINC000095346194 570540281 /nfs/dbraw/zinc/54/02/81/570540281.db2.gz ZHQNWZMABXGLTE-BURNTYAHSA-N 1 2 388.467 3.139 40 0 GGABLO Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccccc2)[N@@H+]2CCC[C@@H]32)cc1C ZINC000095346194 570540283 /nfs/dbraw/zinc/54/02/83/570540283.db2.gz ZHQNWZMABXGLTE-BURNTYAHSA-N 1 2 388.467 3.139 40 0 GGABLO COc1ccc(C[NH+]2CCN([C@@H](C)C(=O)Nc3ccccc3C)CC2)cc1OC ZINC000022789466 570547933 /nfs/dbraw/zinc/54/79/33/570547933.db2.gz WEOXHFIQENSSNH-SFHVURJKSA-N 1 2 397.519 3.157 40 0 GGABLO COc1ccc(C)cc1C[NH+]1CCN([C@@H](C)C(=O)Nc2ccccc2F)CC1 ZINC000022923778 570576123 /nfs/dbraw/zinc/57/61/23/570576123.db2.gz CASFFLRPGAKCEA-KRWDZBQOSA-N 1 2 385.483 3.288 40 0 GGABLO Cc1ccc(SCC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000030096324 570610071 /nfs/dbraw/zinc/61/00/71/570610071.db2.gz VQTVGPJONQWHKU-UHFFFAOYSA-N 1 2 384.501 3.160 40 0 GGABLO Cc1cc(C)cc(NC(=O)C[NH+]2CCC(NC(=O)c3ccccc3F)CC2)c1 ZINC000004908680 570647801 /nfs/dbraw/zinc/64/78/01/570647801.db2.gz VOPAQKPMKPLGPJ-UHFFFAOYSA-N 1 2 383.467 3.275 40 0 GGABLO Cc1cccc(NC(=O)C[NH+]2CCC(NC(=O)c3cccc(F)c3)CC2)c1C ZINC000004908649 570647842 /nfs/dbraw/zinc/64/78/42/570647842.db2.gz OQLMUSBTXRZNOY-UHFFFAOYSA-N 1 2 383.467 3.275 40 0 GGABLO COc1cccc(C(=O)NC2CC[NH+](CC(=O)Nc3cccc(C)c3C)CC2)c1 ZINC000004908636 570648000 /nfs/dbraw/zinc/64/80/00/570648000.db2.gz LNUMXZIRRGUKRZ-UHFFFAOYSA-N 1 2 395.503 3.145 40 0 GGABLO Cc1ccc(C)c(NC(=O)C[NH+]2CCC(NC(=O)c3cccc(F)c3)CC2)c1 ZINC000004908628 570648036 /nfs/dbraw/zinc/64/80/36/570648036.db2.gz CWBRDSVSVYPYQC-UHFFFAOYSA-N 1 2 383.467 3.275 40 0 GGABLO OC1(c2ccc(F)cc2)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnnn1C1CCCCC1 ZINC000004967703 570654649 /nfs/dbraw/zinc/65/46/49/570654649.db2.gz LWEURLAVRKTZGX-PMSBKCLSSA-N 1 2 385.487 3.332 40 0 GGABLO OC1(c2ccc(F)cc2)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnnn1C1CCCCC1 ZINC000004967703 570654653 /nfs/dbraw/zinc/65/46/53/570654653.db2.gz LWEURLAVRKTZGX-PMSBKCLSSA-N 1 2 385.487 3.332 40 0 GGABLO O=C(CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1)NC1CCCCC1 ZINC000008721130 570681462 /nfs/dbraw/zinc/68/14/62/570681462.db2.gz DZVAKGJIFKMNEN-UHFFFAOYSA-N 1 2 399.564 3.404 40 0 GGABLO C[C@H]1CN(C(=O)C(O)(c2ccccc2)c2ccccc2)CCN1c1cccc[nH+]1 ZINC000016991723 570701015 /nfs/dbraw/zinc/70/10/15/570701015.db2.gz UFAJFMHSGHTVER-IBGZPJMESA-N 1 2 387.483 3.055 40 0 GGABLO O=C(C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)NCc1ccc(F)cc1 ZINC000057291868 570701839 /nfs/dbraw/zinc/70/18/39/570701839.db2.gz DSOVYTLZDVMDKI-UHFFFAOYSA-N 1 2 395.400 3.283 40 0 GGABLO O=C(COc1ccc(N2CCCC2=O)cc1)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000025175221 570740119 /nfs/dbraw/zinc/74/01/19/570740119.db2.gz LKIMBYVJBCOVKD-UHFFFAOYSA-N 1 2 390.443 3.076 40 0 GGABLO O=c1cc(CO)oc([C@H](Nc2cccc[nH+]2)c2ccc(C(F)(F)F)cc2)c1O ZINC000013058698 570744351 /nfs/dbraw/zinc/74/43/51/570744351.db2.gz BZHYQOIRXHNXLC-MRXNPFEDSA-N 1 2 392.333 3.453 40 0 GGABLO COc1ccccc1[C@@H](CNC(=O)c1cc(=O)c2cc(C)ccc2o1)[NH+](C)C ZINC000025457488 570753576 /nfs/dbraw/zinc/75/35/76/570753576.db2.gz ACASAEYCHBSWLA-QGZVFWFLSA-N 1 2 380.444 3.143 40 0 GGABLO CC(C)CCN1C[NH+]=C2N[C@@H](c3ccccn3)n3c4ccccc4nc3N2C1 ZINC000013638295 570765562 /nfs/dbraw/zinc/76/55/62/570765562.db2.gz XRZYCNYPFVIIBI-LJQANCHMSA-N 1 2 375.480 3.021 40 0 GGABLO C[N@@H+]1CCc2nc(NC(=O)c3ccc(Cl)c(N4CCCC4=O)c3)sc2C1 ZINC000032744506 570787608 /nfs/dbraw/zinc/78/76/08/570787608.db2.gz KMQOJWICLIHGOR-UHFFFAOYSA-N 1 2 390.896 3.164 40 0 GGABLO C[N@H+]1CCc2nc(NC(=O)c3ccc(Cl)c(N4CCCC4=O)c3)sc2C1 ZINC000032744506 570787610 /nfs/dbraw/zinc/78/76/10/570787610.db2.gz KMQOJWICLIHGOR-UHFFFAOYSA-N 1 2 390.896 3.164 40 0 GGABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2C=Cc1ccccc1 ZINC000261361587 570788105 /nfs/dbraw/zinc/78/81/05/570788105.db2.gz ACVSXXNXVYKTPV-QFQMRYFISA-O 1 2 391.476 3.437 40 0 GGABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1ccc(O)c(OC)c1 ZINC000261363278 570788207 /nfs/dbraw/zinc/78/82/07/570788207.db2.gz QQBFJDHJQQJKGD-GOSISDBHSA-O 1 2 397.480 3.325 40 0 GGABLO CC[C@@H]1N(C(=O)c2ccccc2)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261365213 570788748 /nfs/dbraw/zinc/78/87/48/570788748.db2.gz QTEQPSMDGSXMLL-MRXNPFEDSA-O 1 2 379.465 3.428 40 0 GGABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1ccccc1C ZINC000261363790 570788756 /nfs/dbraw/zinc/78/87/56/570788756.db2.gz IGDSOYHPSOFJBQ-FQEVSTJZSA-O 1 2 393.492 3.471 40 0 GGABLO CC(=O)N1c2ccccc2-c2c(=O)[nH]c(SCc3ccccc3)n[n+]2[C@H]1C ZINC000261365707 570789079 /nfs/dbraw/zinc/78/90/79/570789079.db2.gz UTGTZSMNSTVTAD-ZDUSSCGKSA-O 1 2 379.465 3.314 40 0 GGABLO Cn1ncc2c1nc[nH+]c2N1CCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000025570861 570791433 /nfs/dbraw/zinc/79/14/33/570791433.db2.gz HQOZBBOIMRYYQI-CQSZACIVSA-N 1 2 391.262 3.278 40 0 GGABLO Cc1c(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)[nH]c2c1C(=O)CCC2 ZINC000022196226 570801343 /nfs/dbraw/zinc/80/13/43/570801343.db2.gz ZYNNKQIWYUHVPZ-IBGZPJMESA-N 1 2 380.423 3.234 40 0 GGABLO COc1cc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)cc(OC)c1C ZINC000012535118 570835204 /nfs/dbraw/zinc/83/52/04/570835204.db2.gz UCCJRVDNVHKNRY-LJQANCHMSA-N 1 2 383.423 3.404 40 0 GGABLO c1ccc2c(c1)nc1n2[C@H]([C@@H]2CC=CCC2)NC2=[NH+]CN(Cc3cccnc3)CN12 ZINC000013634017 570862261 /nfs/dbraw/zinc/86/22/61/570862261.db2.gz OTHILNUNGWMROG-WIYYLYMNSA-N 1 2 399.502 3.483 40 0 GGABLO c1ccc(CN2C[NH+]=C3N[C@@H]([C@@H]4CC=CCC4)n4c5ccccc5nc4N3C2)nc1 ZINC000013634013 570862393 /nfs/dbraw/zinc/86/23/93/570862393.db2.gz VTMALJMXYWGGNH-DYESRHJHSA-N 1 2 399.502 3.483 40 0 GGABLO CCc1[nH+]c2ccccc2n1CC(=O)N(C)CC(=O)Nc1c(C)cccc1C ZINC000014895482 570863910 /nfs/dbraw/zinc/86/39/10/570863910.db2.gz PSGRSCPBIHXFDH-UHFFFAOYSA-N 1 2 378.476 3.313 40 0 GGABLO O=C(CCc1c[nH]c2ccccc12)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000022465332 570897901 /nfs/dbraw/zinc/89/79/01/570897901.db2.gz DNKUYVFYBGYMJC-LJQANCHMSA-N 1 2 383.517 3.352 40 0 GGABLO CC(C)NC(=O)C[NH+]1CCN(c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000024586174 570919426 /nfs/dbraw/zinc/91/94/26/570919426.db2.gz PPVYFDHBEJVEAY-UHFFFAOYSA-N 1 2 395.532 3.005 40 0 GGABLO COCCn1nnnc1[C@H](c1cccs1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000019594141 570929339 /nfs/dbraw/zinc/92/93/39/570929339.db2.gz QYFAPZMNFYJGRS-FQEVSTJZSA-N 1 2 397.548 3.425 40 0 GGABLO O=C1C[C@]2(CN1c1ccc(F)cc1)COCC[N@H+](Cc1cc(F)ccc1F)C2 ZINC000585104781 570933467 /nfs/dbraw/zinc/93/34/67/570933467.db2.gz SZRQPOJABXLNOY-NRFANRHFSA-N 1 2 390.405 3.359 40 0 GGABLO O=C1C[C@]2(CN1c1ccc(F)cc1)COCC[N@@H+](Cc1cc(F)ccc1F)C2 ZINC000585104781 570933472 /nfs/dbraw/zinc/93/34/72/570933472.db2.gz SZRQPOJABXLNOY-NRFANRHFSA-N 1 2 390.405 3.359 40 0 GGABLO COc1ccc(-c2c[nH+]c3n2CCN(C(=O)c2sc(C)nc2C)CC3)cc1 ZINC000585111573 570941994 /nfs/dbraw/zinc/94/19/94/570941994.db2.gz WZRVXVOICAXEEL-UHFFFAOYSA-N 1 2 382.489 3.331 40 0 GGABLO CC(=O)N1CCc2nc([C@H]3CCCC[N@@H+]3CCOc3ccccc3F)ncc2C1 ZINC000019018269 570954536 /nfs/dbraw/zinc/95/45/36/570954536.db2.gz PPUNWBVOETYBSS-HXUWFJFHSA-N 1 2 398.482 3.126 40 0 GGABLO CC(=O)N1CCc2nc([C@H]3CCCC[N@H+]3CCOc3ccccc3F)ncc2C1 ZINC000019018269 570954537 /nfs/dbraw/zinc/95/45/37/570954537.db2.gz PPUNWBVOETYBSS-HXUWFJFHSA-N 1 2 398.482 3.126 40 0 GGABLO Cc1cc2[nH+]cn(CCC(=O)NCCc3nc4ccccc4n3C)c2cc1C ZINC000019125236 570957752 /nfs/dbraw/zinc/95/77/52/570957752.db2.gz LHBDNXXYAQLBPK-UHFFFAOYSA-N 1 2 375.476 3.289 40 0 GGABLO Cc1[nH+]c2ccccc2n1[C@@H](C)C(=O)Nc1cc2c(cc1C)n(C)c(=O)n2C ZINC000019125836 570957791 /nfs/dbraw/zinc/95/77/91/570957791.db2.gz YXTRJBIVMOZLAN-ZDUSSCGKSA-N 1 2 377.448 3.043 40 0 GGABLO COc1cc(C)ccc1C[N@@H+]1CCCC[C@@H]1c1ncc2c(n1)CCN(C(C)=O)C2 ZINC000019134062 570958612 /nfs/dbraw/zinc/95/86/12/570958612.db2.gz DMRHOIDLAUQONZ-OAQYLSRUSA-N 1 2 394.519 3.425 40 0 GGABLO COc1cc(C)ccc1C[N@H+]1CCCC[C@@H]1c1ncc2c(n1)CCN(C(C)=O)C2 ZINC000019134062 570958615 /nfs/dbraw/zinc/95/86/15/570958615.db2.gz DMRHOIDLAUQONZ-OAQYLSRUSA-N 1 2 394.519 3.425 40 0 GGABLO Cc1nc(CN2CCN(C(=O)CCn3cc[nH+]c3-c3ccccc3)CC2)cs1 ZINC000019285588 570969692 /nfs/dbraw/zinc/96/96/92/570969692.db2.gz ZZLRRQWEOJALNB-UHFFFAOYSA-N 1 2 395.532 3.050 40 0 GGABLO Cn1ccnc1-c1nc(NCCCn2cc[nH+]c2)ncc1-c1cccc(F)c1 ZINC000019291667 570972172 /nfs/dbraw/zinc/97/21/72/570972172.db2.gz XKFKPSOJMZDZIQ-UHFFFAOYSA-N 1 2 377.427 3.382 40 0 GGABLO O=C(C[NH+]1CCC(Oc2cccnc2)CC1)Nc1nc2ccc(F)cc2s1 ZINC000019339841 570976918 /nfs/dbraw/zinc/97/69/18/570976918.db2.gz IXKOMBDUPKPCMY-UHFFFAOYSA-N 1 2 386.452 3.312 40 0 GGABLO O=C(C[NH+]1CCC(Oc2ccccc2F)CC1)Nc1ccccc1-n1ccnc1 ZINC000019349998 570979151 /nfs/dbraw/zinc/97/91/51/570979151.db2.gz LEAILAHVNVHDRR-UHFFFAOYSA-N 1 2 394.450 3.493 40 0 GGABLO CC(C)c1[nH+]c2cc(NC(=O)c3ccc(CN4CCOCC4)o3)ccc2n1C ZINC000019453817 570986570 /nfs/dbraw/zinc/98/65/70/570986570.db2.gz OHLZAPVTDBSAAH-UHFFFAOYSA-N 1 2 382.464 3.374 40 0 GGABLO CCOc1ccc(C[N@H+]2CCc3nc4c(C)csc4c(=O)n3CC2)cc1OC ZINC000019533920 570999489 /nfs/dbraw/zinc/99/94/89/570999489.db2.gz FKGKOOMLIJWBOU-UHFFFAOYSA-N 1 2 399.516 3.232 40 0 GGABLO CCOc1ccc(C[N@@H+]2CCc3nc4c(C)csc4c(=O)n3CC2)cc1OC ZINC000019533920 570999494 /nfs/dbraw/zinc/99/94/94/570999494.db2.gz FKGKOOMLIJWBOU-UHFFFAOYSA-N 1 2 399.516 3.232 40 0 GGABLO COc1ccc(OC)c2[nH]c(=O)c(CNc3ccccc3-n3cc[nH+]c3)cc12 ZINC000019552921 571002065 /nfs/dbraw/zinc/00/20/65/571002065.db2.gz DCOIOIZAEKAEBU-UHFFFAOYSA-N 1 2 376.416 3.343 40 0 GGABLO Cc1c2ccccc2[nH]c1C[N@H+]1CCc2c(nc(N3CCC[C@H](C)C3)[nH]c2=O)C1 ZINC000019565922 571007561 /nfs/dbraw/zinc/00/75/61/571007561.db2.gz CUFRIZBPCSESGH-HNNXBMFYSA-N 1 2 391.519 3.354 40 0 GGABLO Cc1c2ccccc2[nH]c1C[N@@H+]1CCc2c(nc(N3CCC[C@H](C)C3)[nH]c2=O)C1 ZINC000019565922 571007564 /nfs/dbraw/zinc/00/75/64/571007564.db2.gz CUFRIZBPCSESGH-HNNXBMFYSA-N 1 2 391.519 3.354 40 0 GGABLO Cc1cc(C)n(C[C@@H](O)C[N@H+](Cc2ccco2)Cc2c(C)nc3sccn23)n1 ZINC000019573769 571010505 /nfs/dbraw/zinc/01/05/05/571010505.db2.gz UNCRZWSYDRYJRU-KRWDZBQOSA-N 1 2 399.520 3.174 40 0 GGABLO Cc1cc(C)n(C[C@@H](O)C[N@@H+](Cc2ccco2)Cc2c(C)nc3sccn23)n1 ZINC000019573769 571010508 /nfs/dbraw/zinc/01/05/08/571010508.db2.gz UNCRZWSYDRYJRU-KRWDZBQOSA-N 1 2 399.520 3.174 40 0 GGABLO COc1ccc2c(c1)c(C[C@H](C)NC(=O)C[NH+]1Cc3ccccc3C1)cn2C ZINC000019658205 571024379 /nfs/dbraw/zinc/02/43/79/571024379.db2.gz XFYAJKCBEOTBKP-INIZCTEOSA-N 1 2 377.488 3.250 40 0 GGABLO O=C(C[N@@H+]1CCC[C@H]1Cn1cccn1)Nc1ncc(Cc2ccccc2F)s1 ZINC000019658957 571024872 /nfs/dbraw/zinc/02/48/72/571024872.db2.gz ZQXXGZKMROXEBX-INIZCTEOSA-N 1 2 399.495 3.173 40 0 GGABLO O=C(C[N@H+]1CCC[C@H]1Cn1cccn1)Nc1ncc(Cc2ccccc2F)s1 ZINC000019658957 571024876 /nfs/dbraw/zinc/02/48/76/571024876.db2.gz ZQXXGZKMROXEBX-INIZCTEOSA-N 1 2 399.495 3.173 40 0 GGABLO Cc1ccc([C@H](CNC(=O)c2c[nH]nc2-c2ccccc2)[NH+]2CCOCC2)cc1 ZINC000019714586 571035964 /nfs/dbraw/zinc/03/59/64/571035964.db2.gz RRHSADXAPWMHIQ-NRFANRHFSA-N 1 2 390.487 3.188 40 0 GGABLO O=C(c1cnn2c1nccc2-c1ccccc1)N1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000019716847 571039151 /nfs/dbraw/zinc/03/91/51/571039151.db2.gz QBFPNEMROUQIFU-QGZVFWFLSA-N 1 2 386.459 3.145 40 0 GGABLO C[N@@H+]1C[C@@H](NC(=O)Nc2ccccc2)C[C@H]1c1nc(Cc2ccccc2)no1 ZINC000020464258 575366553 /nfs/dbraw/zinc/36/65/53/575366553.db2.gz GTVVICLXODLQRQ-ROUUACIJSA-N 1 2 377.448 3.227 40 0 biogenic,in-vitro GGABLO C[N@H+]1C[C@@H](NC(=O)Nc2ccccc2)C[C@H]1c1nc(Cc2ccccc2)no1 ZINC000020464258 575366557 /nfs/dbraw/zinc/36/65/57/575366557.db2.gz GTVVICLXODLQRQ-ROUUACIJSA-N 1 2 377.448 3.227 40 0 biogenic,in-vitro GGABLO COc1cc(C[N@@H+]2C[C@@H]3ON=C(c4ccccc4F)[C@@H]3C2)cc(OC)c1OC ZINC000012327744 1399039139 /nfs/dbraw/zinc/03/91/39/1399039139.db2.gz GMDXETOODYBEMH-BEFAXECRSA-N 1 2 386.423 3.086 40 0 GGABLO COc1cc(C[N@H+]2C[C@@H]3ON=C(c4ccccc4F)[C@@H]3C2)cc(OC)c1OC ZINC000012327744 1399039145 /nfs/dbraw/zinc/03/91/45/1399039145.db2.gz GMDXETOODYBEMH-BEFAXECRSA-N 1 2 386.423 3.086 40 0 GGABLO Cc1c2ccccc2[nH]c1C[N@H+]1CCc2c(nc(N3CCC[C@@H](C)C3)[nH]c2=O)C1 ZINC000019565919 1399332137 /nfs/dbraw/zinc/33/21/37/1399332137.db2.gz CUFRIZBPCSESGH-OAHLLOKOSA-N 1 2 391.519 3.354 40 0 GGABLO Cc1c2ccccc2[nH]c1C[N@@H+]1CCc2c(nc(N3CCC[C@@H](C)C3)[nH]c2=O)C1 ZINC000019565919 1399332143 /nfs/dbraw/zinc/33/21/43/1399332143.db2.gz CUFRIZBPCSESGH-OAHLLOKOSA-N 1 2 391.519 3.354 40 0 GGABLO Cc1cc(C)c(NC(=O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(C)c1 ZINC000021847487 1399414979 /nfs/dbraw/zinc/41/49/79/1399414979.db2.gz YNJCQYRNCDSDRG-UHFFFAOYSA-N 1 2 395.503 3.097 40 0 GGABLO Cc1ccc(C(=O)CCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)s1 ZINC000022462400 1399466335 /nfs/dbraw/zinc/46/63/35/1399466335.db2.gz XXGXHKARXLHQMT-UHFFFAOYSA-N 1 2 378.538 3.171 40 0 GGABLO CCOc1ccc([C@@H]([NH3+])c2nc(COc3ccc(Cl)cc3)n[nH]2)cc1OC ZINC000095534219 1410315668 /nfs/dbraw/zinc/31/56/68/1410315668.db2.gz IVZGUGAHEIWRMT-GOSISDBHSA-N 1 2 388.855 3.493 40 0 GGABLO Cc1ccc(O[C@H](C)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(C)c1 ZINC000408677997 231093469 /nfs/dbraw/zinc/09/34/69/231093469.db2.gz DGQXPFTYAZETEV-GOSISDBHSA-N 1 2 396.487 3.144 40 0 GGABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@H]2C[N@H+](Cc3ccccn3)C[C@@H]21 ZINC000306143864 209109053 /nfs/dbraw/zinc/10/90/53/209109053.db2.gz YOSOZVIOFYTAKD-QUCCMNQESA-N 1 2 395.459 3.038 40 0 GGABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@H]2C[N@@H+](Cc3ccccn3)C[C@@H]21 ZINC000306143864 209109059 /nfs/dbraw/zinc/10/90/59/209109059.db2.gz YOSOZVIOFYTAKD-QUCCMNQESA-N 1 2 395.459 3.038 40 0 GGABLO O=C(Nc1ccccc1)N1CCC[C@@]2(C[N@H+](Cc3cccnc3)CCO2)CC1 ZINC000306144439 209108608 /nfs/dbraw/zinc/10/86/08/209108608.db2.gz ZFEIRCJMDBONSL-QFIPXVFZSA-N 1 2 380.492 3.371 40 0 GGABLO O=C(Nc1ccccc1)N1CCC[C@@]2(C[N@@H+](Cc3cccnc3)CCO2)CC1 ZINC000306144439 209108609 /nfs/dbraw/zinc/10/86/09/209108609.db2.gz ZFEIRCJMDBONSL-QFIPXVFZSA-N 1 2 380.492 3.371 40 0 GGABLO Cc1ncsc1C[N@@H+]1C[C@H]2c3cc(-c4ccoc4)ccc3S(=O)(=O)[C@H]2C1 ZINC000306142405 209107975 /nfs/dbraw/zinc/10/79/75/209107975.db2.gz WYUCDHOZYMRPFI-LPHOPBHVSA-N 1 2 386.498 3.467 40 0 GGABLO Cc1ncsc1C[N@H+]1C[C@H]2c3cc(-c4ccoc4)ccc3S(=O)(=O)[C@H]2C1 ZINC000306142405 209107978 /nfs/dbraw/zinc/10/79/78/209107978.db2.gz WYUCDHOZYMRPFI-LPHOPBHVSA-N 1 2 386.498 3.467 40 0 GGABLO Cc1cc(C(=O)N2Cc3ccccc3[C@@H](c3[nH+]ccn3Cc3cccnc3)C2)no1 ZINC000306144907 209107682 /nfs/dbraw/zinc/10/76/82/209107682.db2.gz ZRXWWMOQFGMUOW-FQEVSTJZSA-N 1 2 399.454 3.411 40 0 GGABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]21 ZINC000306144703 209107659 /nfs/dbraw/zinc/10/76/59/209107659.db2.gz ZMONMGIHPSKXKS-HKUYNNGSSA-N 1 2 384.432 3.236 40 0 GGABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@@H]2C[N@@H+](Cc3ccco3)C[C@@H]21 ZINC000306144703 209107663 /nfs/dbraw/zinc/10/76/63/209107663.db2.gz ZMONMGIHPSKXKS-HKUYNNGSSA-N 1 2 384.432 3.236 40 0 GGABLO CCOC(=O)C1=C(C[NH+]2CCC(C)CC2)NC(=O)N[C@H]1c1ccc(C)cc1C ZINC000028632089 206255000 /nfs/dbraw/zinc/25/50/00/206255000.db2.gz UNUKHAWJCVUVAK-FQEVSTJZSA-N 1 2 385.508 3.206 40 0 GGABLO O=C(C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1)Nc1ccc2c(c1)CCC2 ZINC000001346019 206261246 /nfs/dbraw/zinc/26/12/46/206261246.db2.gz UVSFVNPTUIWBJZ-UHFFFAOYSA-N 1 2 395.478 3.147 40 0 GGABLO CO[C@H]1O[C@@H]2c3cc4c(cc3CC[N@@H+](C)[C@@H]2c2ccc3c(c21)OCO3)OCO4 ZINC000030726952 206263256 /nfs/dbraw/zinc/26/32/56/206263256.db2.gz XRBIHOLQAKITPP-SBHAEUEKSA-N 1 2 383.400 3.090 40 0 in-vitro GGABLO CO[C@H]1O[C@@H]2c3cc4c(cc3CC[N@H+](C)[C@@H]2c2ccc3c(c21)OCO3)OCO4 ZINC000030726952 206263261 /nfs/dbraw/zinc/26/32/61/206263261.db2.gz XRBIHOLQAKITPP-SBHAEUEKSA-N 1 2 383.400 3.090 40 0 in-vitro GGABLO c1csc(C[N@@H+]2CCO[C@@H](c3nnn4cc(-c5ccncc5)ccc34)C2)c1 ZINC000306141416 209107108 /nfs/dbraw/zinc/10/71/08/209107108.db2.gz VVGJVLZYJSMGEL-LJQANCHMSA-N 1 2 377.473 3.426 40 0 GGABLO CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2C[N@H+](Cc3cccnc3)CCN21 ZINC000253406528 206282719 /nfs/dbraw/zinc/28/27/19/206282719.db2.gz URMYYFPCVQRXNC-FQEVSTJZSA-N 1 2 398.938 3.156 40 0 biogenic,in-vitro GGABLO CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2C[N@@H+](Cc3cccnc3)CCN21 ZINC000253406528 206282724 /nfs/dbraw/zinc/28/27/24/206282724.db2.gz URMYYFPCVQRXNC-FQEVSTJZSA-N 1 2 398.938 3.156 40 0 biogenic,in-vitro GGABLO CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(Cc3cccnc3)CC[N@@H+]21 ZINC000253406528 206282727 /nfs/dbraw/zinc/28/27/27/206282727.db2.gz URMYYFPCVQRXNC-FQEVSTJZSA-N 1 2 398.938 3.156 40 0 biogenic,in-vitro GGABLO CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(Cc3cccnc3)CC[N@H+]21 ZINC000253406528 206282731 /nfs/dbraw/zinc/28/27/31/206282731.db2.gz URMYYFPCVQRXNC-FQEVSTJZSA-N 1 2 398.938 3.156 40 0 biogenic,in-vitro GGABLO Cc1cccc2cc([C@H](c3nnnn3C3CCCC3)[NH+]3CCCC3)c(=O)[nH]c12 ZINC000000889211 206332238 /nfs/dbraw/zinc/33/22/38/206332238.db2.gz PWCFVASPDOWZIQ-LJQANCHMSA-N 1 2 378.480 3.123 40 0 GGABLO CCOC(=O)CN1C(=O)S/C(=C\c2cccn2-c2ccc([NH+](C)C)cc2)C1=O ZINC000000981436 206337971 /nfs/dbraw/zinc/33/79/71/206337971.db2.gz OQZYTVQVFZBWCI-ATVHPVEESA-N 1 2 399.472 3.143 40 0 GGABLO O=C(c1ccco1)N(C(=S)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000001635200 206388970 /nfs/dbraw/zinc/38/89/70/206388970.db2.gz HMQRTXSLXIFJAB-UHFFFAOYSA-N 1 2 392.484 3.429 40 0 GGABLO CCOC(=O)c1ccc(N2C(=O)C=C(n3c[nH+]c4cc(C)c(C)cc43)C2=O)cc1 ZINC000001441309 206381803 /nfs/dbraw/zinc/38/18/03/206381803.db2.gz IHOSUKKNJJWPIT-UHFFFAOYSA-N 1 2 389.411 3.244 40 0 GGABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@H]2C[N@H+](Cc3ccncc3)C[C@H]21 ZINC000306140943 209105979 /nfs/dbraw/zinc/10/59/79/209105979.db2.gz VHIUIIVMXVVIKV-UYAOXDASSA-N 1 2 395.459 3.038 40 0 GGABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@H]2C[N@@H+](Cc3ccncc3)C[C@H]21 ZINC000306140943 209105981 /nfs/dbraw/zinc/10/59/81/209105981.db2.gz VHIUIIVMXVVIKV-UYAOXDASSA-N 1 2 395.459 3.038 40 0 GGABLO COc1cccc([C@H](NS(=O)(=O)c2ccc(C)c(C)c2)c2[nH+]ccn2C)c1 ZINC000017522252 207089206 /nfs/dbraw/zinc/08/92/06/207089206.db2.gz LHQKLIHJLSDOHI-IBGZPJMESA-N 1 2 385.489 3.113 40 0 GGABLO COc1ccc(-n2nnc(C(C)=O)c2NC[C@H](c2ccccc2F)[NH+](C)C)cc1 ZINC000019023094 207100488 /nfs/dbraw/zinc/10/04/88/207100488.db2.gz QDSKHMPRTKSHDN-LJQANCHMSA-N 1 2 397.454 3.332 40 0 GGABLO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2ncc3c(n2)CCN(C(C)=O)C3)cc1 ZINC000019018279 207100269 /nfs/dbraw/zinc/10/02/69/207100269.db2.gz QMHSLXMILNBUGH-OAQYLSRUSA-N 1 2 380.492 3.117 40 0 GGABLO COc1ccc(C[N@H+]2CCCC[C@@H]2c2ncc3c(n2)CCN(C(C)=O)C3)cc1 ZINC000019018279 207100272 /nfs/dbraw/zinc/10/02/72/207100272.db2.gz QMHSLXMILNBUGH-OAQYLSRUSA-N 1 2 380.492 3.117 40 0 GGABLO COc1cc(C)ccc1C[N@@H+]1CCCC[C@H]1c1ncc2c(n1)CCN(C(C)=O)C2 ZINC000019134066 207104531 /nfs/dbraw/zinc/10/45/31/207104531.db2.gz DMRHOIDLAUQONZ-NRFANRHFSA-N 1 2 394.519 3.425 40 0 GGABLO COc1cc(C)ccc1C[N@H+]1CCCC[C@H]1c1ncc2c(n1)CCN(C(C)=O)C2 ZINC000019134066 207104535 /nfs/dbraw/zinc/10/45/35/207104535.db2.gz DMRHOIDLAUQONZ-NRFANRHFSA-N 1 2 394.519 3.425 40 0 GGABLO Cc1ccc(C[N@H+](CCCN2CCOCC2)Cc2coc3ccccc3c2=O)o1 ZINC000019216469 207108183 /nfs/dbraw/zinc/10/81/83/207108183.db2.gz MKPNTXPOINIHJE-UHFFFAOYSA-N 1 2 396.487 3.419 40 0 GGABLO Cc1ccc(C[N@@H+](CCCN2CCOCC2)Cc2coc3ccccc3c2=O)o1 ZINC000019216469 207108188 /nfs/dbraw/zinc/10/81/88/207108188.db2.gz MKPNTXPOINIHJE-UHFFFAOYSA-N 1 2 396.487 3.419 40 0 GGABLO Cc1ccc(CN(CCC[NH+]2CCOCC2)Cc2coc3ccccc3c2=O)o1 ZINC000019216469 207108191 /nfs/dbraw/zinc/10/81/91/207108191.db2.gz MKPNTXPOINIHJE-UHFFFAOYSA-N 1 2 396.487 3.419 40 0 GGABLO Cn1ccnc1[C@@H](NC(=O)c1ccccc1Cn1cc[nH+]c1)c1ccc(F)cc1 ZINC000019291215 207112413 /nfs/dbraw/zinc/11/24/13/207112413.db2.gz QOHYWJQMUSIDCJ-FQEVSTJZSA-N 1 2 389.434 3.323 40 0 GGABLO Cc1nccc(-c2ccc(-c3noc(C[NH2+]CCN4CCCCC4)n3)cc2)n1 ZINC000019287568 207112710 /nfs/dbraw/zinc/11/27/10/207112710.db2.gz ITOOWOOKJSPOEI-UHFFFAOYSA-N 1 2 378.480 3.078 40 0 GGABLO Cc1[nH+]c2ccccc2n1C[C@H](C)C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000019286749 207113169 /nfs/dbraw/zinc/11/31/69/207113169.db2.gz CZACIVPGRHOPBY-STQMWFEESA-N 1 2 378.432 3.339 40 0 GGABLO Cn1ccnc1[C@@H](O)c1ccccc1N1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000019291341 207113822 /nfs/dbraw/zinc/11/38/22/207113822.db2.gz DSZKKVCWKJPIIS-NRFANRHFSA-N 1 2 398.457 3.102 40 0 GGABLO c1cncc(Oc2nc(N3CCCC3)nc3c2CC[N@@H+](Cc2ccncc2)C3)c1 ZINC000019339892 207116206 /nfs/dbraw/zinc/11/62/06/207116206.db2.gz DMCISOZWZXASQU-UHFFFAOYSA-N 1 2 388.475 3.217 40 0 GGABLO c1cncc(Oc2nc(N3CCCC3)nc3c2CC[N@H+](Cc2ccncc2)C3)c1 ZINC000019339892 207116210 /nfs/dbraw/zinc/11/62/10/207116210.db2.gz DMCISOZWZXASQU-UHFFFAOYSA-N 1 2 388.475 3.217 40 0 GGABLO CCOC(=O)C1(C[C@H]2CC(c3ccc(C)cc3)=NO2)CC[NH+](CC(C)=O)CC1 ZINC000019530180 207131017 /nfs/dbraw/zinc/13/10/17/207131017.db2.gz AKMPTXMMOSSEJC-LJQANCHMSA-N 1 2 386.492 3.112 40 0 GGABLO COc1cccc(C[N@@H+]2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)c1 ZINC000019453715 207123910 /nfs/dbraw/zinc/12/39/10/207123910.db2.gz ZPZOSMPLCZXRRC-UHFFFAOYSA-N 1 2 382.508 3.004 40 0 GGABLO COc1cccc(C[N@H+]2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)c1 ZINC000019453715 207123914 /nfs/dbraw/zinc/12/39/14/207123914.db2.gz ZPZOSMPLCZXRRC-UHFFFAOYSA-N 1 2 382.508 3.004 40 0 GGABLO COc1cccc(C[N@@H+]2CCN(C(=O)c3cnc(C(C)(C)C)nc3)[C@H](C)C2)c1 ZINC000019497775 207125601 /nfs/dbraw/zinc/12/56/01/207125601.db2.gz WCAXNFNFITWIRD-MRXNPFEDSA-N 1 2 382.508 3.129 40 0 GGABLO COc1cccc(C[N@H+]2CCN(C(=O)c3cnc(C(C)(C)C)nc3)[C@H](C)C2)c1 ZINC000019497775 207125605 /nfs/dbraw/zinc/12/56/05/207125605.db2.gz WCAXNFNFITWIRD-MRXNPFEDSA-N 1 2 382.508 3.129 40 0 GGABLO c1ccc(N2CCN(c3ncc(-c4ccncc4)c([C@@H]4CCCO4)n3)CC2)[nH+]c1 ZINC000019402155 207121155 /nfs/dbraw/zinc/12/11/55/207121155.db2.gz GSRWKRKMYXQAIJ-IBGZPJMESA-N 1 2 388.475 3.112 40 0 GGABLO CCn1c[nH+]cc1CN1CCc2cc(OC)c(OC)cc2[C@H]1c1ccncc1 ZINC000019578669 207137795 /nfs/dbraw/zinc/13/77/95/207137795.db2.gz VTUGIBOWSKUKHC-JOCHJYFZSA-N 1 2 378.476 3.463 40 0 GGABLO Cc1noc(C)c1Cc1ccc(C(=O)N2CC[NH+](CCOC(C)C)CC2)s1 ZINC000019581079 207139139 /nfs/dbraw/zinc/13/91/39/207139139.db2.gz XAKXGIYWQDYWJM-UHFFFAOYSA-N 1 2 391.537 3.127 40 0 GGABLO CCOc1ccc(CC(=O)N2CCc3nc([C@H]4CCCC[N@@H+]4C)ncc3C2)cc1 ZINC000019533020 207131086 /nfs/dbraw/zinc/13/10/86/207131086.db2.gz JTGLJNHWCDRZLO-OAQYLSRUSA-N 1 2 394.519 3.160 40 0 GGABLO CCOc1ccc(CC(=O)N2CCc3nc([C@H]4CCCC[N@H+]4C)ncc3C2)cc1 ZINC000019533020 207131090 /nfs/dbraw/zinc/13/10/90/207131090.db2.gz JTGLJNHWCDRZLO-OAQYLSRUSA-N 1 2 394.519 3.160 40 0 GGABLO CCOc1ccc(CC(=O)N2CCc3nc([C@@H]4CCCC[N@@H+]4C)ncc3C2)cc1 ZINC000019533018 207131567 /nfs/dbraw/zinc/13/15/67/207131567.db2.gz JTGLJNHWCDRZLO-NRFANRHFSA-N 1 2 394.519 3.160 40 0 GGABLO CCOc1ccc(CC(=O)N2CCc3nc([C@@H]4CCCC[N@H+]4C)ncc3C2)cc1 ZINC000019533018 207131570 /nfs/dbraw/zinc/13/15/70/207131570.db2.gz JTGLJNHWCDRZLO-NRFANRHFSA-N 1 2 394.519 3.160 40 0 GGABLO COc1cccc(C[N@@H+]2CCC[C@@H]2C(=O)Nc2nc(-c3cnn(C)c3)cs2)c1 ZINC000019661198 207147523 /nfs/dbraw/zinc/14/75/23/207147523.db2.gz PKJSCVIOLXARKG-GOSISDBHSA-N 1 2 397.504 3.155 40 0 GGABLO COc1cccc(C[N@H+]2CCC[C@@H]2C(=O)Nc2nc(-c3cnn(C)c3)cs2)c1 ZINC000019661198 207147525 /nfs/dbraw/zinc/14/75/25/207147525.db2.gz PKJSCVIOLXARKG-GOSISDBHSA-N 1 2 397.504 3.155 40 0 GGABLO Cc1nnnn1-c1cccc(NC(=O)COc2cc(C)[nH+]c3ccc(C)cc32)c1 ZINC000019661049 207147644 /nfs/dbraw/zinc/14/76/44/207147644.db2.gz IHDRNGMQSYWNAI-UHFFFAOYSA-N 1 2 388.431 3.153 40 0 GGABLO Cc1noc(C)c1CC(=O)N1CCC(c2ccc(-c3ccc(N)[nH+]c3)cn2)CC1 ZINC000019688101 207149472 /nfs/dbraw/zinc/14/94/72/207149472.db2.gz VPSYHVQIMUXCFN-UHFFFAOYSA-N 1 2 391.475 3.279 40 0 GGABLO COc1ccc(CCC(=O)N2CCc3nc([C@H]4CCCC[N@@H+]4C)ncc3C2)cc1 ZINC000019588898 207141082 /nfs/dbraw/zinc/14/10/82/207141082.db2.gz PTJNLASAWNZKFH-OAQYLSRUSA-N 1 2 394.519 3.160 40 0 GGABLO COc1ccc(CCC(=O)N2CCc3nc([C@H]4CCCC[N@H+]4C)ncc3C2)cc1 ZINC000019588898 207141086 /nfs/dbraw/zinc/14/10/86/207141086.db2.gz PTJNLASAWNZKFH-OAQYLSRUSA-N 1 2 394.519 3.160 40 0 GGABLO COc1ccccc1CCC(=O)N1CCc2nc([C@H]3CCCC[N@@H+]3C)ncc2C1 ZINC000019588906 207141370 /nfs/dbraw/zinc/14/13/70/207141370.db2.gz MLTPGCPJNOUUMG-HXUWFJFHSA-N 1 2 394.519 3.160 40 0 GGABLO COc1ccccc1CCC(=O)N1CCc2nc([C@H]3CCCC[N@H+]3C)ncc2C1 ZINC000019588906 207141374 /nfs/dbraw/zinc/14/13/74/207141374.db2.gz MLTPGCPJNOUUMG-HXUWFJFHSA-N 1 2 394.519 3.160 40 0 GGABLO COc1ccc2[nH]c(C)c(C(=O)C[NH+]3CCC(Oc4cnccn4)CC3)c2c1 ZINC000019658933 207145191 /nfs/dbraw/zinc/14/51/91/207145191.db2.gz IMXQPTBNGFMDAG-UHFFFAOYSA-N 1 2 380.448 3.001 40 0 GGABLO O=C(C[N@@H+]1CCC[C@@H]1Cn1cccn1)Nc1ncc(Cc2ccccc2)s1 ZINC000019657905 207145790 /nfs/dbraw/zinc/14/57/90/207145790.db2.gz WMMSSHRPCWQXRW-QGZVFWFLSA-N 1 2 381.505 3.034 40 0 GGABLO O=C(C[N@H+]1CCC[C@@H]1Cn1cccn1)Nc1ncc(Cc2ccccc2)s1 ZINC000019657905 207145795 /nfs/dbraw/zinc/14/57/95/207145795.db2.gz WMMSSHRPCWQXRW-QGZVFWFLSA-N 1 2 381.505 3.034 40 0 GGABLO COc1ccc(C[N@@H+]2CCN(C3CCCC3)C(=O)C2)cc1Cc1c(C)n[nH]c1C ZINC000019658391 207146104 /nfs/dbraw/zinc/14/61/04/207146104.db2.gz OVXCBSKVRXYHIC-UHFFFAOYSA-N 1 2 396.535 3.213 40 0 GGABLO COc1ccc(C[N@H+]2CCN(C3CCCC3)C(=O)C2)cc1Cc1c(C)n[nH]c1C ZINC000019658391 207146106 /nfs/dbraw/zinc/14/61/06/207146106.db2.gz OVXCBSKVRXYHIC-UHFFFAOYSA-N 1 2 396.535 3.213 40 0 GGABLO C[N@@H+]1CCc2nc(NC(=O)c3cnc(-c4ccc(Cl)cc4)nc3)sc2C1 ZINC000019655027 207146175 /nfs/dbraw/zinc/14/61/75/207146175.db2.gz STEOUGAKUVVMMT-UHFFFAOYSA-N 1 2 385.880 3.494 40 0 GGABLO C[N@H+]1CCc2nc(NC(=O)c3cnc(-c4ccc(Cl)cc4)nc3)sc2C1 ZINC000019655027 207146179 /nfs/dbraw/zinc/14/61/79/207146179.db2.gz STEOUGAKUVVMMT-UHFFFAOYSA-N 1 2 385.880 3.494 40 0 GGABLO Cc1ccc([C@@H](CNC(=O)c2c[nH]nc2-c2ccccc2)[NH+]2CCOCC2)cc1 ZINC000019714585 207151522 /nfs/dbraw/zinc/15/15/22/207151522.db2.gz RRHSADXAPWMHIQ-OAQYLSRUSA-N 1 2 390.487 3.188 40 0 GGABLO Cc1nn(C)c2nc(C)cc(C(=O)NCCc3[nH]c4cc(C)c(C)cc4[nH+]3)c12 ZINC000019716316 207153360 /nfs/dbraw/zinc/15/33/60/207153360.db2.gz JGVGHEMGVKGPLJ-UHFFFAOYSA-N 1 2 376.464 3.051 40 0 GGABLO CC(C)[C@@H](CNC(=O)c1cc(-c2ccccc2Cl)no1)[NH+]1CCOCC1 ZINC000019716755 207154374 /nfs/dbraw/zinc/15/43/74/207154374.db2.gz KOZZNTCNROGIRK-QGZVFWFLSA-N 1 2 377.872 3.082 40 0 GGABLO C[C@H](Cn1c[nH+]cc1-c1cnc(N2CCOCC2)nc1)Oc1ccccc1Cl ZINC000019719322 207155241 /nfs/dbraw/zinc/15/52/41/207155241.db2.gz MLHXZYDKRDQCJA-OAHLLOKOSA-N 1 2 399.882 3.298 40 0 GGABLO Cc1ccc2nc(-c3ccccn3)cc(C(=O)N[C@@H](C)C[NH+]3CCOCC3)c2c1 ZINC000019719134 207155395 /nfs/dbraw/zinc/15/53/95/207155395.db2.gz ZZIKMEGXZJBFJA-KRWDZBQOSA-N 1 2 390.487 3.056 40 0 GGABLO CC(C)(C)[C@H]1CCc2n[nH]c(C(=O)NC3CC[NH+](Cc4ccccn4)CC3)c2C1 ZINC000019718916 207156061 /nfs/dbraw/zinc/15/60/61/207156061.db2.gz BSGGUUHVZMIFCF-INIZCTEOSA-N 1 2 395.551 3.350 40 0 GGABLO CCCn1ncc2ccc([C@H]3CCC[N@H+](CC(=O)Nc4nccs4)C3)nc21 ZINC000019742204 207157686 /nfs/dbraw/zinc/15/76/86/207157686.db2.gz GUIMQVCOIYGXHZ-HNNXBMFYSA-N 1 2 384.509 3.116 40 0 GGABLO CCCn1ncc2ccc([C@H]3CCC[N@@H+](CC(=O)Nc4nccs4)C3)nc21 ZINC000019742204 207157690 /nfs/dbraw/zinc/15/76/90/207157690.db2.gz GUIMQVCOIYGXHZ-HNNXBMFYSA-N 1 2 384.509 3.116 40 0 GGABLO Cc1nc([C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)ncc1C(=O)N1CCOCC1 ZINC000019751875 207159187 /nfs/dbraw/zinc/15/91/87/207159187.db2.gz XRWABNWYIHEXKR-HXUWFJFHSA-N 1 2 398.482 3.124 40 0 GGABLO Cc1nc([C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)ncc1C(=O)N1CCOCC1 ZINC000019751875 207159190 /nfs/dbraw/zinc/15/91/90/207159190.db2.gz XRWABNWYIHEXKR-HXUWFJFHSA-N 1 2 398.482 3.124 40 0 GGABLO COc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1Cl ZINC000020107700 207177746 /nfs/dbraw/zinc/17/77/46/207177746.db2.gz FWZYWIURTXXCQJ-UHFFFAOYSA-N 1 2 377.853 3.013 40 0 GGABLO O=S(=O)(Cc1c(F)cccc1Cl)NCc1ccccc1-n1cc[nH+]c1 ZINC000019931393 207172258 /nfs/dbraw/zinc/17/22/58/207172258.db2.gz NVXCRTYTMJJEOA-UHFFFAOYSA-N 1 2 379.844 3.284 40 0 GGABLO CCOc1ccccc1CCCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020110519 207179430 /nfs/dbraw/zinc/17/94/30/207179430.db2.gz XMXRIWPSKHWGSC-UHFFFAOYSA-N 1 2 382.504 3.280 40 0 GGABLO CC(C)(C)NC(=O)c1ccccc1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020488676 207197425 /nfs/dbraw/zinc/19/74/25/207197425.db2.gz HLIZPVQOORORSN-UHFFFAOYSA-N 1 2 395.503 3.299 40 0 GGABLO O=C(NCCSCc1ccccc1F)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020451737 207192607 /nfs/dbraw/zinc/19/26/07/207192607.db2.gz AMOFRYOJKLMCQC-UHFFFAOYSA-N 1 2 388.508 3.321 40 0 GGABLO c1ccc2c(c1)nc1n2[C@@H](c2cccnc2)NC2=[NH+]CN(C3CCCCC3)CN12 ZINC000020638674 207208864 /nfs/dbraw/zinc/20/88/64/207208864.db2.gz AXGIHCWGMUREOW-FQEVSTJZSA-N 1 2 387.491 3.307 40 0 GGABLO FC(F)(F)Oc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3[nH]cc[nH+]3)n2)cc1 ZINC000067898719 207202404 /nfs/dbraw/zinc/20/24/04/207202404.db2.gz WPCUCPSLMCKCOE-HNNXBMFYSA-N 1 2 393.369 3.272 40 0 biogenic,in-vitro GGABLO c1ccc(CN2C[NH+]=C3NC4(CCCCC4)n4c5ccccc5nc4N3C2)nc1 ZINC000020676477 207209833 /nfs/dbraw/zinc/20/98/33/207209833.db2.gz IEBOTZQHBGBWDB-UHFFFAOYSA-N 1 2 387.491 3.245 40 0 GGABLO O=C(CN1CC[NH+](C/C=C/c2ccccc2)CC1)Nc1ccc2c(c1)CCC2 ZINC000022039414 207246410 /nfs/dbraw/zinc/24/64/10/207246410.db2.gz GOXYDWKYVOETKT-VMPITWQZSA-N 1 2 375.516 3.445 40 0 GGABLO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1C ZINC000022250732 207250613 /nfs/dbraw/zinc/25/06/13/207250613.db2.gz CGZUKCZXRLZTHZ-UHFFFAOYSA-N 1 2 382.460 3.080 40 0 GGABLO CCOC(=O)Nc1cccc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000021935249 207243207 /nfs/dbraw/zinc/24/32/07/207243207.db2.gz XXBVFQNOZPNSSH-UHFFFAOYSA-N 1 2 397.475 3.017 40 0 GGABLO O=S(=O)(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Br)cc1 ZINC000022513133 207255107 /nfs/dbraw/zinc/25/51/07/207255107.db2.gz CCEAATLIEUKIFP-UHFFFAOYSA-N 1 2 392.278 3.113 40 0 GGABLO CCOC(=O)c1nnc2c(-c3ccc(F)cc3)c(CC)nn2c1/C=C/[NH+](C)C ZINC000022607515 207257393 /nfs/dbraw/zinc/25/73/93/207257393.db2.gz AHIFGLZKQYYVFQ-VAWYXSNFSA-N 1 2 383.427 3.202 40 0 GGABLO CC[N@H+](CC(=O)Nc1cc(C(C)(C)C)no1)Cc1ccc(OC)c(OC)c1 ZINC000022972119 207267171 /nfs/dbraw/zinc/26/71/71/207267171.db2.gz SBWLZLJITLGKGC-UHFFFAOYSA-N 1 2 375.469 3.450 40 0 GGABLO CC[N@@H+](CC(=O)Nc1cc(C(C)(C)C)no1)Cc1ccc(OC)c(OC)c1 ZINC000022972119 207267173 /nfs/dbraw/zinc/26/71/73/207267173.db2.gz SBWLZLJITLGKGC-UHFFFAOYSA-N 1 2 375.469 3.450 40 0 GGABLO O=C(c1cc(Br)c[nH]1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000023639908 207279470 /nfs/dbraw/zinc/27/94/70/207279470.db2.gz MGXYZFMELRFZQU-UHFFFAOYSA-N 1 2 382.689 3.389 40 0 GGABLO O=C(c1ccc(N2CCCCC2=O)cc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000024501289 207292325 /nfs/dbraw/zinc/29/23/25/207292325.db2.gz IPAIFNIAZYIGCV-UHFFFAOYSA-N 1 2 383.517 3.223 40 0 GGABLO O=C(Nc1ccccc1OC(F)(F)F)N1CC[NH+](Cc2cccnc2)CC1 ZINC000040104276 207338745 /nfs/dbraw/zinc/33/87/45/207338745.db2.gz QEHBGYLZILDGFL-UHFFFAOYSA-N 1 2 380.370 3.330 40 0 GGABLO O=C(c1ccccc1C[NH+]1CCOCC1)N1CCc2[nH]c3ccccc3c2C1 ZINC000036753098 207537600 /nfs/dbraw/zinc/53/76/00/207537600.db2.gz FYAWQTVAXMUUNA-UHFFFAOYSA-N 1 2 375.472 3.199 40 0 GGABLO Nc1cc(-c2c[nH]nc2[C@@H]2CCCN2C(=O)CCOc2ccccc2)cc[nH+]1 ZINC000072357494 208000403 /nfs/dbraw/zinc/00/04/03/208000403.db2.gz HGUCLWOHEMSZKI-SFHVURJKSA-N 1 2 377.448 3.187 40 0 GGABLO Nc1cc(-c2c[nH]nc2[C@@H]2CCCN(C(=O)NCCc3ccccc3)C2)cc[nH+]1 ZINC000072360790 208002503 /nfs/dbraw/zinc/00/25/03/208002503.db2.gz CJBQRHACDXKBDP-GOSISDBHSA-N 1 2 390.491 3.186 40 0 GGABLO CNc1nc(C2CCN(C(=O)CC3CCCCC3)CC2)nc2c1C[N@H+](C)CC2 ZINC000072372163 208006268 /nfs/dbraw/zinc/00/62/68/208006268.db2.gz KSEMPCUJKQMSQE-UHFFFAOYSA-N 1 2 385.556 3.183 40 0 GGABLO CNc1nc(C2CCN(C(=O)CC3CCCCC3)CC2)nc2c1C[N@@H+](C)CC2 ZINC000072372163 208006273 /nfs/dbraw/zinc/00/62/73/208006273.db2.gz KSEMPCUJKQMSQE-UHFFFAOYSA-N 1 2 385.556 3.183 40 0 GGABLO COc1ccc(CC(=O)N2CCC[C@@H](c3cccc(-n4cc[nH+]c4)n3)C2)cc1 ZINC000072378371 208009937 /nfs/dbraw/zinc/00/99/37/208009937.db2.gz VTKLJAUQNJWGKD-GOSISDBHSA-N 1 2 376.460 3.225 40 0 GGABLO CC(C)c1[nH+]ccn1-c1cncc([C@H]2CCCN2C(=O)Cc2cccnc2)n1 ZINC000072378579 208010359 /nfs/dbraw/zinc/01/03/59/208010359.db2.gz RQJBYKLFLNXESU-GOSISDBHSA-N 1 2 376.464 3.087 40 0 GGABLO CC(C)c1[nH+]ccn1-c1cccc(C2CCN(C(=O)c3cnccn3)CC2)n1 ZINC000072378758 208011150 /nfs/dbraw/zinc/01/11/50/208011150.db2.gz HEZJDMQSASOHDL-UHFFFAOYSA-N 1 2 376.464 3.201 40 0 GGABLO Nc1cc(-c2c[nH]nc2C2CCN(C(=O)NCCc3ccccc3)CC2)cc[nH+]1 ZINC000072382929 208013245 /nfs/dbraw/zinc/01/32/45/208013245.db2.gz CJSXBKDGTQITQK-UHFFFAOYSA-N 1 2 390.491 3.186 40 0 GGABLO CCCNC(=O)[C@@H]1C[C@@]2(CO1)c1ccccc1C[N@H+]2Cc1cccc(OC)c1 ZINC000096143941 208272299 /nfs/dbraw/zinc/27/22/99/208272299.db2.gz FMINFBFJULTWQC-JTHBVZDNSA-N 1 2 380.488 3.221 40 0 GGABLO CCCNC(=O)[C@@H]1C[C@@]2(CO1)c1ccccc1C[N@@H+]2Cc1cccc(OC)c1 ZINC000096143941 208272304 /nfs/dbraw/zinc/27/23/04/208272304.db2.gz FMINFBFJULTWQC-JTHBVZDNSA-N 1 2 380.488 3.221 40 0 GGABLO COc1ccc(C[N@H+]2Cc3nnn(C)c3[C@H](COCc3ccccc3)C2)cc1 ZINC000096086943 208262096 /nfs/dbraw/zinc/26/20/96/208262096.db2.gz DHHPGBZOIBWHCL-IBGZPJMESA-N 1 2 378.476 3.140 40 0 GGABLO COc1ccc(C[N@@H+]2Cc3nnn(C)c3[C@H](COCc3ccccc3)C2)cc1 ZINC000096086943 208262105 /nfs/dbraw/zinc/26/21/05/208262105.db2.gz DHHPGBZOIBWHCL-IBGZPJMESA-N 1 2 378.476 3.140 40 0 GGABLO Cc1nc(C[N@@H+]2CCOC[C@@]3(C[C@H](CNc4cccc(F)c4)CO3)C2)cs1 ZINC000096240418 208293383 /nfs/dbraw/zinc/29/33/83/208293383.db2.gz AGAPRRHDOAQFCF-OXQOHEQNSA-N 1 2 391.512 3.310 40 0 GGABLO Cc1nc(C[N@H+]2CCOC[C@@]3(C[C@H](CNc4cccc(F)c4)CO3)C2)cs1 ZINC000096240418 208293390 /nfs/dbraw/zinc/29/33/90/208293390.db2.gz AGAPRRHDOAQFCF-OXQOHEQNSA-N 1 2 391.512 3.310 40 0 GGABLO COc1cccc(CC(=O)N2CCc3[nH+]c(NC(C)C)nc(NC4CC4)c3C2)c1 ZINC000096254180 208296077 /nfs/dbraw/zinc/29/60/77/208296077.db2.gz PDQYOPGEBBFCTD-UHFFFAOYSA-N 1 2 395.507 3.007 40 0 GGABLO C[N@@H+]1CCn2c(-c3cccnc3)cnc2C12CCN(C(=O)c1cccs1)CC2 ZINC000096263319 208297331 /nfs/dbraw/zinc/29/73/31/208297331.db2.gz JEVLACFRSAQKCP-UHFFFAOYSA-N 1 2 393.516 3.084 40 0 GGABLO C[N@H+]1CCn2c(-c3cccnc3)cnc2C12CCN(C(=O)c1cccs1)CC2 ZINC000096263319 208297334 /nfs/dbraw/zinc/29/73/34/208297334.db2.gz JEVLACFRSAQKCP-UHFFFAOYSA-N 1 2 393.516 3.084 40 0 GGABLO Cc1cc(C[N@H+]2CC[C@]3(C2)c2ccccc2S(=O)(=O)N3CCC(C)C)no1 ZINC000096262003 208297365 /nfs/dbraw/zinc/29/73/65/208297365.db2.gz SXBLZTPVMQXRCK-FQEVSTJZSA-N 1 2 389.521 3.135 40 0 GGABLO Cc1cc(C[N@@H+]2CC[C@]3(C2)c2ccccc2S(=O)(=O)N3CCC(C)C)no1 ZINC000096262003 208297371 /nfs/dbraw/zinc/29/73/71/208297371.db2.gz SXBLZTPVMQXRCK-FQEVSTJZSA-N 1 2 389.521 3.135 40 0 GGABLO C[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1cscn1)CC2 ZINC000096263298 208297855 /nfs/dbraw/zinc/29/78/55/208297855.db2.gz QWALLEWFGNVKOP-UHFFFAOYSA-N 1 2 393.516 3.084 40 0 GGABLO C[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1cscn1)CC2 ZINC000096263298 208297859 /nfs/dbraw/zinc/29/78/59/208297859.db2.gz QWALLEWFGNVKOP-UHFFFAOYSA-N 1 2 393.516 3.084 40 0 GGABLO COc1ccc(-c2cnc3n2CC[N@H+](C)C32CCN(C(=O)C3(C)CC3)CC2)cc1 ZINC000096263333 208298097 /nfs/dbraw/zinc/29/80/97/208298097.db2.gz MZWNQMLYVGIEPP-UHFFFAOYSA-N 1 2 394.519 3.122 40 0 GGABLO COc1ccc(-c2cnc3n2CC[N@@H+](C)C32CCN(C(=O)C3(C)CC3)CC2)cc1 ZINC000096263333 208298101 /nfs/dbraw/zinc/29/81/01/208298101.db2.gz MZWNQMLYVGIEPP-UHFFFAOYSA-N 1 2 394.519 3.122 40 0 GGABLO CCOc1ccc(C[N@@H+]2CC[C@H](c3cc4nc(C)cc(=O)n4[nH]3)C2)cc1OC ZINC000100742413 208378587 /nfs/dbraw/zinc/37/85/87/208378587.db2.gz NXIDBPAJAIKCFO-INIZCTEOSA-N 1 2 382.464 3.140 40 0 GGABLO CCOc1ccc(C[N@H+]2CC[C@H](c3cc4nc(C)cc(=O)n4[nH]3)C2)cc1OC ZINC000100742413 208378591 /nfs/dbraw/zinc/37/85/91/208378591.db2.gz NXIDBPAJAIKCFO-INIZCTEOSA-N 1 2 382.464 3.140 40 0 GGABLO CCOc1ccc(C[N@@H+]2CC[C@@H](c3cc4nc(C)cc(=O)n4[nH]3)C2)cc1OC ZINC000100742416 208379491 /nfs/dbraw/zinc/37/94/91/208379491.db2.gz NXIDBPAJAIKCFO-MRXNPFEDSA-N 1 2 382.464 3.140 40 0 GGABLO CCOc1ccc(C[N@H+]2CC[C@@H](c3cc4nc(C)cc(=O)n4[nH]3)C2)cc1OC ZINC000100742416 208379499 /nfs/dbraw/zinc/37/94/99/208379499.db2.gz NXIDBPAJAIKCFO-MRXNPFEDSA-N 1 2 382.464 3.140 40 0 GGABLO COCc1ccc(C[N@@H+]2CCc3c([nH]c4cc(-c5ccoc5C)nn4c3=O)C2)o1 ZINC000100182290 208374018 /nfs/dbraw/zinc/37/40/18/208374018.db2.gz SSLWDBSBLLXYET-UHFFFAOYSA-N 1 2 394.431 3.301 40 0 GGABLO COCc1ccc(C[N@H+]2CCc3c([nH]c4cc(-c5ccoc5C)nn4c3=O)C2)o1 ZINC000100182290 208374024 /nfs/dbraw/zinc/37/40/24/208374024.db2.gz SSLWDBSBLLXYET-UHFFFAOYSA-N 1 2 394.431 3.301 40 0 GGABLO CC(C)(C)c1cc2nccc([C@H]3CC[C@H](CNC(=O)Cn4cc[nH+]c4)CC3)n2n1 ZINC000100159376 208374283 /nfs/dbraw/zinc/37/42/83/208374283.db2.gz IPDBYFAKIHVULG-CALCHBBNSA-N 1 2 394.523 3.314 40 0 GGABLO COCCC(=O)N1Cc2ccccc2[C@@H](c2[nH+]ccn2Cc2csc(C)n2)C1 ZINC000306139988 209105664 /nfs/dbraw/zinc/10/56/64/209105664.db2.gz UGDAOJQXFZKTNL-IBGZPJMESA-N 1 2 396.516 3.207 40 0 GGABLO Cc1cccc(C[N@@H+]2CCO[C@@H](c3nnn4cc(-c5ccncc5)ccc34)C2)n1 ZINC000306135294 209104717 /nfs/dbraw/zinc/10/47/17/209104717.db2.gz OMODYXXOCURSBN-OAQYLSRUSA-N 1 2 386.459 3.068 40 0 GGABLO Cc1cccc(C[N@H+]2CCO[C@@H](c3nnn4cc(-c5ccncc5)ccc34)C2)n1 ZINC000306135294 209104721 /nfs/dbraw/zinc/10/47/21/209104721.db2.gz OMODYXXOCURSBN-OAQYLSRUSA-N 1 2 386.459 3.068 40 0 GGABLO COc1ccccc1-c1c[nH+]c2n1C[C@]1(CCN(C(=O)Cc3ccco3)C1)C2 ZINC000306135989 209104656 /nfs/dbraw/zinc/10/46/56/209104656.db2.gz PFVMQRORAHKTLO-JOCHJYFZSA-N 1 2 377.444 3.169 40 0 GGABLO c1csc(C[N@H+]2CCO[C@@H](c3nnn4cc(-c5ccncc5)ccc34)C2)c1 ZINC000306141416 209107114 /nfs/dbraw/zinc/10/71/14/209107114.db2.gz VVGJVLZYJSMGEL-LJQANCHMSA-N 1 2 377.473 3.426 40 0 GGABLO Cc1ncsc1C[N@@H+]1C[C@H]2c3cc(-c4cccnc4)ccc3S(=O)(=O)[C@@H]2C1 ZINC000306136702 209103498 /nfs/dbraw/zinc/10/34/98/209103498.db2.gz QAUGLFPPCVRXNH-FXAWDEMLSA-N 1 2 397.525 3.269 40 0 GGABLO Cc1ncsc1C[N@H+]1C[C@H]2c3cc(-c4cccnc4)ccc3S(=O)(=O)[C@@H]2C1 ZINC000306136702 209103499 /nfs/dbraw/zinc/10/34/99/209103499.db2.gz QAUGLFPPCVRXNH-FXAWDEMLSA-N 1 2 397.525 3.269 40 0 GGABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000306131672 209101964 /nfs/dbraw/zinc/10/19/64/209101964.db2.gz KLTKUVILFAWYII-ICSRJNTNSA-N 1 2 395.459 3.038 40 0 GGABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000306131672 209101966 /nfs/dbraw/zinc/10/19/66/209101966.db2.gz KLTKUVILFAWYII-ICSRJNTNSA-N 1 2 395.459 3.038 40 0 GGABLO C[N@@H+]1C[C@@H](NC(=O)c2cccnc2)C[C@H]1c1nc(-c2ccc3ccccc3c2)no1 ZINC000012529890 208770832 /nfs/dbraw/zinc/77/08/32/208770832.db2.gz QPQXKLPOTOMVKW-PMACEKPBSA-N 1 2 399.454 3.460 40 0 biogenic,in-vitro GGABLO C[N@H+]1C[C@@H](NC(=O)c2cccnc2)C[C@H]1c1nc(-c2ccc3ccccc3c2)no1 ZINC000012529890 208770836 /nfs/dbraw/zinc/77/08/36/208770836.db2.gz QPQXKLPOTOMVKW-PMACEKPBSA-N 1 2 399.454 3.460 40 0 biogenic,in-vitro GGABLO CN1CC[N@H+](Cc2cccnc2)C[C@H]1c1nnn2cc(-c3ccsc3)ccc12 ZINC000306125949 209098222 /nfs/dbraw/zinc/09/82/22/209098222.db2.gz DGRWIFFYUDJLPZ-FQEVSTJZSA-N 1 2 390.516 3.342 40 0 GGABLO CN1CC[N@@H+](Cc2cccnc2)C[C@H]1c1nnn2cc(-c3ccsc3)ccc12 ZINC000306125949 209098226 /nfs/dbraw/zinc/09/82/26/209098226.db2.gz DGRWIFFYUDJLPZ-FQEVSTJZSA-N 1 2 390.516 3.342 40 0 GGABLO CC(C)n1cc(C[N@@H+]2C[C@H]3c4cc(-c5ccoc5)ccc4S(=O)(=O)[C@H]3C2)cn1 ZINC000306128908 209099479 /nfs/dbraw/zinc/09/94/79/209099479.db2.gz HOAYMLKNVKWDJB-FPOVZHCZSA-N 1 2 397.500 3.479 40 0 GGABLO CC(C)n1cc(C[N@H+]2C[C@H]3c4cc(-c5ccoc5)ccc4S(=O)(=O)[C@H]3C2)cn1 ZINC000306128908 209099482 /nfs/dbraw/zinc/09/94/82/209099482.db2.gz HOAYMLKNVKWDJB-FPOVZHCZSA-N 1 2 397.500 3.479 40 0 GGABLO COc1cccc(-c2cnc3c(N4CC[NH+](Cc5ccoc5)CC4)nccn23)c1 ZINC000306126065 209097937 /nfs/dbraw/zinc/09/79/37/209097937.db2.gz DLGAOBLGKBVUOO-UHFFFAOYSA-N 1 2 389.459 3.320 40 0 GGABLO c1csc(-c2ccc3c([C@H]4C[N@H+](Cc5ccccn5)CCO4)nnn3c2)c1 ZINC000306125747 209097375 /nfs/dbraw/zinc/09/73/75/209097375.db2.gz DBBNOTPCIQLRRG-GOSISDBHSA-N 1 2 377.473 3.426 40 0 GGABLO c1csc(-c2ccc3c([C@H]4C[N@@H+](Cc5ccccn5)CCO4)nnn3c2)c1 ZINC000306125747 209097377 /nfs/dbraw/zinc/09/73/77/209097377.db2.gz DBBNOTPCIQLRRG-GOSISDBHSA-N 1 2 377.473 3.426 40 0 GGABLO CN(C)c1cccc(C(=O)N2C[C@@H]3CCn4c(-c5ccncc5)c[nH+]c4[C@@H]3C2)c1 ZINC000306124869 209096821 /nfs/dbraw/zinc/09/68/21/209096821.db2.gz CBDPQWBLXMVURZ-AZUAARDMSA-N 1 2 387.487 3.271 40 0 GGABLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)cc1 ZINC000096111796 209008605 /nfs/dbraw/zinc/00/86/05/209008605.db2.gz REERJLCANUDEER-FPOVZHCZSA-N 1 2 378.472 3.474 40 0 biogenic,in-vitro GGABLO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)cc1 ZINC000096111796 209008608 /nfs/dbraw/zinc/00/86/08/209008608.db2.gz REERJLCANUDEER-FPOVZHCZSA-N 1 2 378.472 3.474 40 0 biogenic,in-vitro GGABLO Cc1ccc2[nH]c(CO[C@H]3C[N@H+](Cc4ccc5c(c4)OCO5)C[C@H]3F)nc2c1 ZINC000096112308 209008650 /nfs/dbraw/zinc/00/86/50/209008650.db2.gz OKAYUIMFDPTAFC-QRWLVFNGSA-N 1 2 383.423 3.339 40 0 biogenic,in-vitro GGABLO Cc1ccc2[nH]c(CO[C@H]3C[N@@H+](Cc4ccc5c(c4)OCO5)C[C@H]3F)nc2c1 ZINC000096112308 209008652 /nfs/dbraw/zinc/00/86/52/209008652.db2.gz OKAYUIMFDPTAFC-QRWLVFNGSA-N 1 2 383.423 3.339 40 0 biogenic,in-vitro GGABLO Cc1ccc2nc(CO[C@H]3C[N@H+](Cc4ccc5c(c4)OCO5)C[C@H]3F)[nH]c2c1 ZINC000096112308 209008654 /nfs/dbraw/zinc/00/86/54/209008654.db2.gz OKAYUIMFDPTAFC-QRWLVFNGSA-N 1 2 383.423 3.339 40 0 biogenic,in-vitro GGABLO Cc1ccc2nc(CO[C@H]3C[N@@H+](Cc4ccc5c(c4)OCO5)C[C@H]3F)[nH]c2c1 ZINC000096112308 209008656 /nfs/dbraw/zinc/00/86/56/209008656.db2.gz OKAYUIMFDPTAFC-QRWLVFNGSA-N 1 2 383.423 3.339 40 0 biogenic,in-vitro GGABLO F[C@@H]1C[N@H+](Cc2cnc3ccccc3c2)C[C@@H]1OCc1nc2cc[nH]cc-2n1 ZINC000096112132 209008740 /nfs/dbraw/zinc/00/87/40/209008740.db2.gz ZTVGMWWOPVJUGD-UZLBHIALSA-N 1 2 377.423 3.245 40 0 biogenic,in-vitro GGABLO F[C@@H]1C[N@@H+](Cc2cnc3ccccc3c2)C[C@@H]1OCc1nc2cc[nH]cc-2n1 ZINC000096112132 209008743 /nfs/dbraw/zinc/00/87/43/209008743.db2.gz ZTVGMWWOPVJUGD-UZLBHIALSA-N 1 2 377.423 3.245 40 0 biogenic,in-vitro GGABLO CC(=O)Nc1ccc(C[N@@H+]2C[C@@H](F)[C@@H](OCc3nc4ccccc4n3C)C2)cc1 ZINC000096112198 209009393 /nfs/dbraw/zinc/00/93/93/209009393.db2.gz MQPUHZKHKHRRCD-NQIIRXRSSA-N 1 2 396.466 3.271 40 0 biogenic,in-vitro GGABLO CC(=O)Nc1ccc(C[N@H+]2C[C@@H](F)[C@@H](OCc3nc4ccccc4n3C)C2)cc1 ZINC000096112198 209009394 /nfs/dbraw/zinc/00/93/94/209009394.db2.gz MQPUHZKHKHRRCD-NQIIRXRSSA-N 1 2 396.466 3.271 40 0 biogenic,in-vitro GGABLO F[C@@H]1C[N@H+](Cc2ccc3ccccc3n2)C[C@@H]1OCc1nc2cccnc2[nH]1 ZINC000096112154 209009442 /nfs/dbraw/zinc/00/94/42/209009442.db2.gz VAJGDHKSULACSO-APWZRJJASA-N 1 2 377.423 3.245 40 0 biogenic,in-vitro GGABLO F[C@@H]1C[N@@H+](Cc2ccc3ccccc3n2)C[C@@H]1OCc1nc2cccnc2[nH]1 ZINC000096112154 209009446 /nfs/dbraw/zinc/00/94/46/209009446.db2.gz VAJGDHKSULACSO-APWZRJJASA-N 1 2 377.423 3.245 40 0 biogenic,in-vitro GGABLO COc1cccc(C[NH+]2CC3(C2)OCC[C@H]3CCOCC2CCOCC2)c1 ZINC000247892025 209028111 /nfs/dbraw/zinc/02/81/11/209028111.db2.gz MYCPVIJKCVWGIQ-HXUWFJFHSA-N 1 2 375.509 3.119 40 0 GGABLO Cc1ncsc1C[N@H+]1Cc2ccnn2[C@H](CCOCC2CCOCC2)C1 ZINC000247997404 209030024 /nfs/dbraw/zinc/03/00/24/209030024.db2.gz APBHSVFYFYUEBG-GOSISDBHSA-N 1 2 376.526 3.038 40 0 GGABLO Cc1ncsc1C[N@@H+]1Cc2ccnn2[C@H](CCOCC2CCOCC2)C1 ZINC000247997404 209030026 /nfs/dbraw/zinc/03/00/26/209030026.db2.gz APBHSVFYFYUEBG-GOSISDBHSA-N 1 2 376.526 3.038 40 0 GGABLO COc1cccc(C[NH+]2CC3(C2)OCC[C@@H]3CCOCC2CCOCC2)c1 ZINC000247892021 209030902 /nfs/dbraw/zinc/03/09/02/209030902.db2.gz MYCPVIJKCVWGIQ-FQEVSTJZSA-N 1 2 375.509 3.119 40 0 GGABLO CCN(CC)C(=O)CN1CCO[C@@H](c2cc(Nc3[nH+]cccc3C)cc(C)n2)C1 ZINC000257200298 209053661 /nfs/dbraw/zinc/05/36/61/209053661.db2.gz ACUFQRAWRRBNRJ-HXUWFJFHSA-N 1 2 397.523 3.079 40 0 GGABLO CCn1cc(C[N@@H+]2CCO[C@H](c3cccc(Nc4nc(C)cs4)n3)C2)cn1 ZINC000257214485 209057006 /nfs/dbraw/zinc/05/70/06/209057006.db2.gz CMDYUEKUUUCSOI-KRWDZBQOSA-N 1 2 384.509 3.380 40 0 GGABLO CCn1cc(C[N@H+]2CCO[C@H](c3cccc(Nc4nc(C)cs4)n3)C2)cn1 ZINC000257214485 209057010 /nfs/dbraw/zinc/05/70/10/209057010.db2.gz CMDYUEKUUUCSOI-KRWDZBQOSA-N 1 2 384.509 3.380 40 0 GGABLO Cc1[nH+]cc(-c2cc(CC3CCN(C(=O)c4cccnc4)CC3)ccn2)n1C ZINC000257224354 209057883 /nfs/dbraw/zinc/05/78/83/209057883.db2.gz FBMBJKFSQLSBPQ-UHFFFAOYSA-N 1 2 375.476 3.280 40 0 GGABLO COCCOc1ccc(C(=O)N2CCC[C@H]2c2cccc(-n3cc[nH+]c3)n2)cc1 ZINC000257259422 209061859 /nfs/dbraw/zinc/06/18/59/209061859.db2.gz KYGZASTWTKIMOR-FQEVSTJZSA-N 1 2 392.459 3.270 40 0 GGABLO C[C@]1(O)C[N@H+](CC(=O)Nc2ccc3c(c2)CCCC3)CC[C@@H]1Oc1ccccc1 ZINC000257246146 209059273 /nfs/dbraw/zinc/05/92/73/209059273.db2.gz ISRPBICJNZVJJN-UPVQGACJSA-N 1 2 394.515 3.408 40 0 GGABLO C[C@]1(O)C[N@@H+](CC(=O)Nc2ccc3c(c2)CCCC3)CC[C@@H]1Oc1ccccc1 ZINC000257246146 209059278 /nfs/dbraw/zinc/05/92/78/209059278.db2.gz ISRPBICJNZVJJN-UPVQGACJSA-N 1 2 394.515 3.408 40 0 GGABLO Cc1c(F)cccc1NC(=O)C[N@@H+]1CC[C@](C)(O)[C@@H](Oc2cccc(F)c2)C1 ZINC000257246956 209059376 /nfs/dbraw/zinc/05/93/76/209059376.db2.gz IWSHZWTYRJFLSS-FPOVZHCZSA-N 1 2 390.430 3.116 40 0 GGABLO Cc1c(F)cccc1NC(=O)C[N@H+]1CC[C@](C)(O)[C@@H](Oc2cccc(F)c2)C1 ZINC000257246956 209059382 /nfs/dbraw/zinc/05/93/82/209059382.db2.gz IWSHZWTYRJFLSS-FPOVZHCZSA-N 1 2 390.430 3.116 40 0 GGABLO CN(C)C(=O)c1sc2nc([C@@H]3CCC[N@@H+]3Cc3cscn3)ccc2c1N ZINC000257259612 209061166 /nfs/dbraw/zinc/06/11/66/209061166.db2.gz KZCLESPLKOITOA-AWEZNQCLSA-N 1 2 387.534 3.374 40 0 GGABLO CN(C)C(=O)c1sc2nc([C@@H]3CCC[N@H+]3Cc3cscn3)ccc2c1N ZINC000257259612 209061171 /nfs/dbraw/zinc/06/11/71/209061171.db2.gz KZCLESPLKOITOA-AWEZNQCLSA-N 1 2 387.534 3.374 40 0 GGABLO C[C@]1(O)C[N@H+](CC(=O)Nc2cccc3c2CCCC3)CC[C@@H]1Oc1ccccc1 ZINC000257258886 209062693 /nfs/dbraw/zinc/06/26/93/209062693.db2.gz KVXBLKMCXFIKGM-UPVQGACJSA-N 1 2 394.515 3.408 40 0 GGABLO C[C@]1(O)C[N@@H+](CC(=O)Nc2cccc3c2CCCC3)CC[C@@H]1Oc1ccccc1 ZINC000257258886 209062696 /nfs/dbraw/zinc/06/26/96/209062696.db2.gz KVXBLKMCXFIKGM-UPVQGACJSA-N 1 2 394.515 3.408 40 0 GGABLO Cc1[nH+]cc(-c2cncc(C[C@H]3CCCN(C(=O)c4cccs4)C3)n2)n1C ZINC000257270135 209063566 /nfs/dbraw/zinc/06/35/66/209063566.db2.gz MSXQWYPOUSLLKX-OAHLLOKOSA-N 1 2 381.505 3.342 40 0 GGABLO Cc1ccc(C)c(NC(=O)C[N@@H+]2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)c1 ZINC000257267199 209063936 /nfs/dbraw/zinc/06/39/36/209063936.db2.gz MGILQSXAMYCWDL-UNMCSNQZSA-N 1 2 386.467 3.285 40 0 GGABLO Cc1ccc(C)c(NC(=O)C[N@H+]2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)c1 ZINC000257267199 209063941 /nfs/dbraw/zinc/06/39/41/209063941.db2.gz MGILQSXAMYCWDL-UNMCSNQZSA-N 1 2 386.467 3.285 40 0 GGABLO NC(=O)C[C@@]1(COc2cccc(Cl)c2)C[N@H+](Cc2ccccc2F)CCO1 ZINC000257273830 209066433 /nfs/dbraw/zinc/06/64/33/209066433.db2.gz NIKSKHUPQBIXBS-FQEVSTJZSA-N 1 2 392.858 3.005 40 0 GGABLO NC(=O)C[C@@]1(COc2cccc(Cl)c2)C[N@@H+](Cc2ccccc2F)CCO1 ZINC000257273830 209066440 /nfs/dbraw/zinc/06/64/40/209066440.db2.gz NIKSKHUPQBIXBS-FQEVSTJZSA-N 1 2 392.858 3.005 40 0 GGABLO COc1cccc2c1OC1(CC[NH+](Cc3nccn3C)CC1)[C@H]1CCCO[C@H]21 ZINC000257282936 209066865 /nfs/dbraw/zinc/06/68/65/209066865.db2.gz OVZBWTVHKOMHOV-FXAWDEMLSA-N 1 2 383.492 3.324 40 0 GGABLO CCCc1cc(-c2cc(NCCCc3ccccc3OC)nc(N)[nH+]2)n(C)n1 ZINC000257296144 209071374 /nfs/dbraw/zinc/07/13/74/209071374.db2.gz RBLBWCMKFILLCW-UHFFFAOYSA-N 1 2 380.496 3.465 40 0 GGABLO COc1ccc(Cc2cc(C)nc([C@@H]3C[N@H+](Cc4cnn(C)c4)CCO3)c2)cc1 ZINC000257308833 209072975 /nfs/dbraw/zinc/07/29/75/209072975.db2.gz TYHNSPFDZUYQAT-QHCPKHFHSA-N 1 2 392.503 3.296 40 0 GGABLO COc1ccc(Cc2cc(C)nc([C@@H]3C[N@@H+](Cc4cnn(C)c4)CCO3)c2)cc1 ZINC000257308833 209072981 /nfs/dbraw/zinc/07/29/81/209072981.db2.gz TYHNSPFDZUYQAT-QHCPKHFHSA-N 1 2 392.503 3.296 40 0 GGABLO CCn1ncc(C[N@@H+]2CCO[C@@H](c3cc(CCOc4ccccc4)n[nH]3)C2)c1C ZINC000257306151 209072528 /nfs/dbraw/zinc/07/25/28/209072528.db2.gz STDMCRVCZIKMGT-JOCHJYFZSA-N 1 2 395.507 3.130 40 0 GGABLO CCn1ncc(C[N@H+]2CCO[C@@H](c3cc(CCOc4ccccc4)n[nH]3)C2)c1C ZINC000257306151 209072533 /nfs/dbraw/zinc/07/25/33/209072533.db2.gz STDMCRVCZIKMGT-JOCHJYFZSA-N 1 2 395.507 3.130 40 0 GGABLO O=C(Nc1ccccc1Cl)[C@H]1CCCN(c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000062022849 136156305 /nfs/dbraw/zinc/15/63/05/136156305.db2.gz RSVACEAJTXYLSQ-AWEZNQCLSA-N 1 2 382.855 3.171 40 0 GGABLO O=C(Nc1ncccn1)[C@@H]1CCCN(c2cc(-n3ccc4ccccc43)nc[nH+]2)C1 ZINC000096124063 136183929 /nfs/dbraw/zinc/18/39/29/136183929.db2.gz FAPCIKUQCOKPTA-QGZVFWFLSA-N 1 2 399.458 3.066 40 0 GGABLO Cc1ccc(C[N@@H+]2CCc3nc(N4CCOCC4)nc(NC(C)C)c3C2)cc1 ZINC000096254276 136185878 /nfs/dbraw/zinc/18/58/78/136185878.db2.gz QCUCGUAWUMRKNI-UHFFFAOYSA-N 1 2 381.524 3.000 40 0 GGABLO Cc1ccc(C[N@H+]2CCc3nc(N4CCOCC4)nc(NC(C)C)c3C2)cc1 ZINC000096254276 136185879 /nfs/dbraw/zinc/18/58/79/136185879.db2.gz QCUCGUAWUMRKNI-UHFFFAOYSA-N 1 2 381.524 3.000 40 0 GGABLO Cc1cc(C)c(N2C(=O)C[C@H]([NH+]3CCN(c4ccccc4)CC3)C2=O)c(C)c1 ZINC000101274248 136189514 /nfs/dbraw/zinc/18/95/14/136189514.db2.gz KSDDFAODNPOYKZ-FQEVSTJZSA-N 1 2 377.488 3.066 40 0 GGABLO Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ncnc4ccsc43)CC2)c1C ZINC000124353987 136192408 /nfs/dbraw/zinc/19/24/08/136192408.db2.gz ZEHYYPXBWVSGJZ-MRXNPFEDSA-N 1 2 395.532 3.457 40 0 GGABLO O=C(C[N@H+](Cc1ccccc1F)C1CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000008780390 136195726 /nfs/dbraw/zinc/19/57/26/136195726.db2.gz LTBGQRDVQMMKNY-UHFFFAOYSA-N 1 2 385.458 3.278 40 0 GGABLO O=C(C[N@@H+](Cc1ccccc1F)C1CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000008780390 136195727 /nfs/dbraw/zinc/19/57/27/136195727.db2.gz LTBGQRDVQMMKNY-UHFFFAOYSA-N 1 2 385.458 3.278 40 0 GGABLO O=C(C[N@@H+]1CCc2ccccc2C1)N1c2ccccc2NC(=O)C12CCCC2 ZINC000012750797 136200602 /nfs/dbraw/zinc/20/06/02/136200602.db2.gz VXDNYZSDLBAGTJ-UHFFFAOYSA-N 1 2 375.472 3.343 40 0 GGABLO O=C(C[N@H+]1CCc2ccccc2C1)N1c2ccccc2NC(=O)C12CCCC2 ZINC000012750797 136200603 /nfs/dbraw/zinc/20/06/03/136200603.db2.gz VXDNYZSDLBAGTJ-UHFFFAOYSA-N 1 2 375.472 3.343 40 0 GGABLO COc1ccccc1N1CC[NH+](CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000014196344 136201488 /nfs/dbraw/zinc/20/14/88/136201488.db2.gz VGFFRCKDUBVPKE-UHFFFAOYSA-N 1 2 393.409 3.475 40 0 GGABLO COc1ccccc1-c1cc(C(=O)N2C[C@@H](C)[N@H+](Cc3ccco3)C[C@H]2C)[nH]n1 ZINC000072324223 222227779 /nfs/dbraw/zinc/22/77/79/222227779.db2.gz FLFMAYIZRWYQJQ-HZPDHXFCSA-N 1 2 394.475 3.413 40 0 GGABLO COc1ccccc1-c1cc(C(=O)N2C[C@@H](C)[N@@H+](Cc3ccco3)C[C@H]2C)[nH]n1 ZINC000072324223 222227781 /nfs/dbraw/zinc/22/77/81/222227781.db2.gz FLFMAYIZRWYQJQ-HZPDHXFCSA-N 1 2 394.475 3.413 40 0 GGABLO COc1ccc([C@H](NC(=O)[C@@H](OC)c2ccccc2)c2[nH+]ccn2C)cc1OC ZINC000072346353 222233212 /nfs/dbraw/zinc/23/32/12/222233212.db2.gz NHZZUZGVAZOGKU-PMACEKPBSA-N 1 2 395.459 3.031 40 0 GGABLO Cc1nc([C@@H]2CCCC[N@@H+]2CCOc2ccc(F)cc2)ncc1C(=O)N(C)C ZINC000072345475 222233263 /nfs/dbraw/zinc/23/32/63/222233263.db2.gz VNUPGKNECYLRTC-IBGZPJMESA-N 1 2 386.471 3.232 40 0 GGABLO Cc1nc([C@@H]2CCCC[N@H+]2CCOc2ccc(F)cc2)ncc1C(=O)N(C)C ZINC000072345475 222233266 /nfs/dbraw/zinc/23/32/66/222233266.db2.gz VNUPGKNECYLRTC-IBGZPJMESA-N 1 2 386.471 3.232 40 0 GGABLO COCC[N@@H+]1CCCC[C@H]1c1ncc(C(=O)Nc2ccccc2OC)c(C)n1 ZINC000072346291 222233295 /nfs/dbraw/zinc/23/32/95/222233295.db2.gz MNIVMIRNACDWAD-SFHVURJKSA-N 1 2 384.480 3.219 40 0 GGABLO COCC[N@H+]1CCCC[C@H]1c1ncc(C(=O)Nc2ccccc2OC)c(C)n1 ZINC000072346291 222233297 /nfs/dbraw/zinc/23/32/97/222233297.db2.gz MNIVMIRNACDWAD-SFHVURJKSA-N 1 2 384.480 3.219 40 0 GGABLO COc1ccc([C@H](NC(=O)[C@H](OC)c2ccccc2)c2[nH+]ccn2C)cc1OC ZINC000072346351 222233429 /nfs/dbraw/zinc/23/34/29/222233429.db2.gz NHZZUZGVAZOGKU-VQTJNVASSA-N 1 2 395.459 3.031 40 0 GGABLO COc1ccc(CNC(=O)[C@H]2CCCN(c3[nH+]c4ccccc4n3C)C2)cc1 ZINC000072347664 222234246 /nfs/dbraw/zinc/23/42/46/222234246.db2.gz DSXZZHZLWRZYEB-KRWDZBQOSA-N 1 2 378.476 3.115 40 0 GGABLO CC(C)c1nnc(NC(=O)[C@H]2CCCN(c3[nH+]c4ccccc4n3C)C2)s1 ZINC000072347667 222235054 /nfs/dbraw/zinc/23/50/54/222235054.db2.gz MOYHIZHKIPLGLQ-ZDUSSCGKSA-N 1 2 384.509 3.403 40 0 GGABLO CC(C)c1[nH+]ccn1-c1nccnc1[C@H]1CCCN(C(=O)c2cccnc2)C1 ZINC000072350608 222237580 /nfs/dbraw/zinc/23/75/80/222237580.db2.gz NIISNRMSYMWEFO-KRWDZBQOSA-N 1 2 376.464 3.201 40 0 GGABLO O=C1NCC[N@@H+](Cc2cccc(F)c2)[C@H]1Cc1cccc(-c2ccncc2)c1 ZINC000072351650 222237591 /nfs/dbraw/zinc/23/75/91/222237591.db2.gz BAQOTVAGCACQIZ-QFIPXVFZSA-N 1 2 375.447 3.431 40 0 GGABLO O=C1NCC[N@H+](Cc2cccc(F)c2)[C@H]1Cc1cccc(-c2ccncc2)c1 ZINC000072351650 222237596 /nfs/dbraw/zinc/23/75/96/222237596.db2.gz BAQOTVAGCACQIZ-QFIPXVFZSA-N 1 2 375.447 3.431 40 0 GGABLO CCc1[nH+]ccn1-c1nccnc1C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000072350534 222237807 /nfs/dbraw/zinc/23/78/07/222237807.db2.gz JQAIOECHARMGRP-UHFFFAOYSA-N 1 2 379.439 3.384 40 0 GGABLO O=C(Cc1c[nH]c2ccccc12)Nc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000072392182 222249203 /nfs/dbraw/zinc/24/92/03/222249203.db2.gz ZFGIZMOZBNCLEF-UHFFFAOYSA-N 1 2 379.460 3.060 40 0 GGABLO O=C(C[NH+]1Cc2ccccc2C1)Nc1ccc(I)cc1 ZINC000155454736 534557638 /nfs/dbraw/zinc/55/76/38/534557638.db2.gz RVGIQDYNIGPFFE-UHFFFAOYSA-N 1 2 378.213 3.246 40 0 GGABLO CC(C)NC(=O)N1CCC2(CC1)c1ncc(-c3cccc(F)c3)n1CC[N@H+]2C ZINC000105122169 529134585 /nfs/dbraw/zinc/13/45/85/529134585.db2.gz KZDJMMVZBPLFRQ-UHFFFAOYSA-N 1 2 385.487 3.044 40 0 GGABLO CC(C)NC(=O)N1CCC2(CC1)c1ncc(-c3cccc(F)c3)n1CC[N@@H+]2C ZINC000105122169 529134587 /nfs/dbraw/zinc/13/45/87/529134587.db2.gz KZDJMMVZBPLFRQ-UHFFFAOYSA-N 1 2 385.487 3.044 40 0 GGABLO Cc1ccc2[nH]c(C[C@H]3C[N@H+](Cc4ccccn4)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514289627 560032277 /nfs/dbraw/zinc/03/22/77/560032277.db2.gz XFJISDHIQNIYLY-IRXDYDNUSA-N 1 2 378.476 3.422 40 0 biogenic,in-vitro GGABLO Cc1ccc2[nH]c(C[C@H]3C[N@@H+](Cc4ccccn4)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514289627 560032278 /nfs/dbraw/zinc/03/22/78/560032278.db2.gz XFJISDHIQNIYLY-IRXDYDNUSA-N 1 2 378.476 3.422 40 0 biogenic,in-vitro GGABLO COC[C@H]1CCC[N@@H+]1Cc1nc(C2(O)CC[NH+](CCC(C)C)CC2)cs1 ZINC000225422971 560043596 /nfs/dbraw/zinc/04/35/96/560043596.db2.gz OWIHOIKYKIZYSI-QGZVFWFLSA-N 1 2 381.586 3.083 40 0 biogenic,in-vitro GGABLO COc1ccc(-c2cc(CC3([NH2+]Cc4ccccc4OC)COC3)no2)cc1 ZINC000072321957 560076434 /nfs/dbraw/zinc/07/64/34/560076434.db2.gz CFTIXIAHFQVNOE-UHFFFAOYSA-N 1 2 380.444 3.460 40 0 biogenic,in-vitro GGABLO Cc1ccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3Cc3ccc(CO)o3)n2)cc1 ZINC000015675558 560094964 /nfs/dbraw/zinc/09/49/64/560094964.db2.gz JTTJFPQDSWPLMH-IBGZPJMESA-N 1 2 391.431 3.153 40 0 biogenic,in-vitro GGABLO COc1ccc(CN2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3ccccn3)no2)cc1 ZINC000015675562 560094980 /nfs/dbraw/zinc/09/49/80/560094980.db2.gz QSPKWQQXBXJWOP-IBGZPJMESA-N 1 2 388.431 3.163 40 0 biogenic,in-vitro GGABLO COc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000015674673 560095186 /nfs/dbraw/zinc/09/51/86/560095186.db2.gz VXFMQVNZCPTMBS-APWZRJJASA-N 1 2 381.432 3.062 40 0 biogenic,in-vitro GGABLO COc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000015674673 560095187 /nfs/dbraw/zinc/09/51/87/560095187.db2.gz VXFMQVNZCPTMBS-APWZRJJASA-N 1 2 381.432 3.062 40 0 biogenic,in-vitro GGABLO COc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)NC4CCCCC4)C[N@@H+]3C)n2)cc1 ZINC000012529918 560212940 /nfs/dbraw/zinc/21/29/40/560212940.db2.gz LZYNFFIBOCRDMJ-WMZOPIPTSA-N 1 2 399.495 3.122 40 0 biogenic,in-vitro GGABLO COc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)NC4CCCCC4)C[N@H+]3C)n2)cc1 ZINC000012529918 560212942 /nfs/dbraw/zinc/21/29/42/560212942.db2.gz LZYNFFIBOCRDMJ-WMZOPIPTSA-N 1 2 399.495 3.122 40 0 biogenic,in-vitro GGABLO CC(=O)Nc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3cccc(C)c3)no2)cc1 ZINC000015674404 560231150 /nfs/dbraw/zinc/23/11/50/560231150.db2.gz CFBOFYGBHRWHJR-UXHICEINSA-N 1 2 392.459 3.311 40 0 biogenic,in-vitro GGABLO CC(=O)Nc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3cccc(C)c3)no2)cc1 ZINC000015674404 560231152 /nfs/dbraw/zinc/23/11/52/560231152.db2.gz CFBOFYGBHRWHJR-UXHICEINSA-N 1 2 392.459 3.311 40 0 biogenic,in-vitro GGABLO Cc1ccc(S(=O)(=O)N[C@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)cc1 ZINC000017521358 564297946 /nfs/dbraw/zinc/29/79/46/564297946.db2.gz WRIBMHSRWRFEFF-KRWDZBQOSA-N 1 2 375.881 3.450 40 0 GGABLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1cccc(F)c1 ZINC000017521936 564298027 /nfs/dbraw/zinc/29/80/27/564298027.db2.gz AVIYXIBTICNULD-CQSZACIVSA-N 1 2 385.873 3.342 40 0 GGABLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1ccc(Cl)s1)c1cccc(F)c1 ZINC000017521935 564298386 /nfs/dbraw/zinc/29/83/86/564298386.db2.gz AVIYXIBTICNULD-AWEZNQCLSA-N 1 2 385.873 3.342 40 0 GGABLO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1c(C)noc1C)c1ccccc1Cl ZINC000023325155 564323275 /nfs/dbraw/zinc/32/32/75/564323275.db2.gz BGTCBWSXOMROCX-INIZCTEOSA-N 1 2 385.917 3.306 40 0 GGABLO O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000029084650 564367329 /nfs/dbraw/zinc/36/73/29/564367329.db2.gz ZCYYPQSEJIEZNO-GOSISDBHSA-N 1 2 389.293 3.252 40 0 GGABLO O=S(=O)(NC1CC[NH+](Cc2ccc(F)cc2Cl)CC1)c1cccs1 ZINC000032865313 564406401 /nfs/dbraw/zinc/40/64/01/564406401.db2.gz HXCFTLDZRDOBPD-UHFFFAOYSA-N 1 2 388.917 3.484 40 0 GGABLO CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(=O)Nc1cccc(Cl)c1Cl ZINC000035314268 564415039 /nfs/dbraw/zinc/41/50/39/564415039.db2.gz CKDZTNSLYXUATA-AGUYFDCRSA-N 1 2 384.307 3.454 40 0 GGABLO CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=O)Nc1cccc(Cl)c1Cl ZINC000035314268 564415041 /nfs/dbraw/zinc/41/50/41/564415041.db2.gz CKDZTNSLYXUATA-AGUYFDCRSA-N 1 2 384.307 3.454 40 0 GGABLO COc1ccc(Cl)cc1NC(=S)N1CC[NH+](Cc2ccccn2)CC1 ZINC000225225698 565913850 /nfs/dbraw/zinc/91/38/50/565913850.db2.gz ACKIYJYNLDKAFK-UHFFFAOYSA-N 1 2 376.913 3.258 40 0 GGABLO O=C([O-])c1cc(N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)cc[nH+]1 ZINC000650767946 566477239 /nfs/dbraw/zinc/47/72/39/566477239.db2.gz ISPJORDTQHBWHB-UHFFFAOYSA-N 1 2 380.275 3.451 40 0 GGABLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cnn(Cc2ccccc2)c1)c1ccccc1F ZINC000048260883 570223908 /nfs/dbraw/zinc/22/39/08/570223908.db2.gz OXQHAGATSXARER-FQEVSTJZSA-N 1 2 389.434 3.323 40 0 GGABLO Cn1cc[nH+]c1[C@H](NC(=O)c1cnn(Cc2ccccc2)c1)c1ccccc1F ZINC000048260881 570224163 /nfs/dbraw/zinc/22/41/63/570224163.db2.gz OXQHAGATSXARER-HXUWFJFHSA-N 1 2 389.434 3.323 40 0 GGABLO Cc1nc(Nc2ncccc2C)cc([C@H]2CCCN2C(=O)C=Cc2c[nH]c[nH+]2)n1 ZINC000585290414 570258165 /nfs/dbraw/zinc/25/81/65/570258165.db2.gz ATTMPFRBBGGZMQ-LKGOPFMKSA-N 1 2 389.463 3.332 40 0 GGABLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@@H](Cc2ccnc(Nc3ccccn3)c2)C1 ZINC000585290553 570258992 /nfs/dbraw/zinc/25/89/92/570258992.db2.gz CKVNBWRKYNPWAN-DKFQHHCZSA-N 1 2 388.475 3.438 40 0 GGABLO O=C(N1CC[NH+](C[C@H](O)c2cccs2)CC1)C1(c2cccs2)CCCC1 ZINC000049031201 570260731 /nfs/dbraw/zinc/26/07/31/570260731.db2.gz KSKWRRSUWKYXRY-INIZCTEOSA-N 1 2 390.574 3.499 40 0 GGABLO CC(C)(C)N(Cc1ccccc1)C(=O)Cn1c2ccccc2[nH+]c1NCCO ZINC000049874803 570272500 /nfs/dbraw/zinc/27/25/00/570272500.db2.gz QZJZFYMDGQGCTO-UHFFFAOYSA-N 1 2 380.492 3.268 40 0 GGABLO COc1cccc(-c2noc(C[N@@H+]3CCc4cc(OC)c(OC)cc4C3)n2)c1 ZINC000012921117 570295073 /nfs/dbraw/zinc/29/50/73/570295073.db2.gz XOKPEQIYQZRFEU-UHFFFAOYSA-N 1 2 381.432 3.321 40 0 GGABLO COc1cccc(-c2noc(C[N@H+]3CCc4cc(OC)c(OC)cc4C3)n2)c1 ZINC000012921117 570295075 /nfs/dbraw/zinc/29/50/75/570295075.db2.gz XOKPEQIYQZRFEU-UHFFFAOYSA-N 1 2 381.432 3.321 40 0 GGABLO CC[C@@H](Oc1ccccc1C)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000216470638 570302122 /nfs/dbraw/zinc/30/21/22/570302122.db2.gz HIUKSSXCXJRLOI-LJQANCHMSA-N 1 2 396.487 3.226 40 0 GGABLO O=S1(=O)CC[C@H]([N@H+](C[C@@H]2CCCO2)C(c2ccccc2)c2ccccc2)C1 ZINC000575422704 570308837 /nfs/dbraw/zinc/30/88/37/570308837.db2.gz VXGFCIPLVMHSPM-SFTDATJTSA-N 1 2 385.529 3.444 40 0 GGABLO O=S1(=O)CC[C@H]([N@@H+](C[C@@H]2CCCO2)C(c2ccccc2)c2ccccc2)C1 ZINC000575422704 570308838 /nfs/dbraw/zinc/30/88/38/570308838.db2.gz VXGFCIPLVMHSPM-SFTDATJTSA-N 1 2 385.529 3.444 40 0 GGABLO Cc1nc(C[N@@H+]2CCOC[C@]3(C[C@@H](CNc4cccc(F)c4)CO3)C2)cs1 ZINC000107243505 570308965 /nfs/dbraw/zinc/30/89/65/570308965.db2.gz AGAPRRHDOAQFCF-JXFKEZNVSA-N 1 2 391.512 3.310 40 0 GGABLO Cc1nc(C[N@H+]2CCOC[C@]3(C[C@@H](CNc4cccc(F)c4)CO3)C2)cs1 ZINC000107243505 570308968 /nfs/dbraw/zinc/30/89/68/570308968.db2.gz AGAPRRHDOAQFCF-JXFKEZNVSA-N 1 2 391.512 3.310 40 0 GGABLO O=S1(=O)CC[C@@H]([N@H+](C[C@H]2CCCO2)C(c2ccccc2)c2ccccc2)C1 ZINC000575422700 570308940 /nfs/dbraw/zinc/30/89/40/570308940.db2.gz VXGFCIPLVMHSPM-NHCUHLMSSA-N 1 2 385.529 3.444 40 0 GGABLO O=S1(=O)CC[C@@H]([N@@H+](C[C@H]2CCCO2)C(c2ccccc2)c2ccccc2)C1 ZINC000575422700 570308942 /nfs/dbraw/zinc/30/89/42/570308942.db2.gz VXGFCIPLVMHSPM-NHCUHLMSSA-N 1 2 385.529 3.444 40 0 GGABLO Cc1[nH+]c(N2CCOCC2)ccc1C(=O)CCCCNC(=O)OC(C)(C)C ZINC000072219665 570318151 /nfs/dbraw/zinc/31/81/51/570318151.db2.gz RFJLYWIBWSVNKO-UHFFFAOYSA-N 1 2 377.485 3.104 40 0 GGABLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 ZINC000220725273 570325375 /nfs/dbraw/zinc/32/53/75/570325375.db2.gz BHIXCRJUWNRGRM-QGZVFWFLSA-N 1 2 391.475 3.287 40 0 GGABLO Cn1c(=O)n(C2CC[NH+](Cc3c(F)cccc3Cl)CC2)nc1C(F)(F)F ZINC000575606445 570329567 /nfs/dbraw/zinc/32/95/67/570329567.db2.gz JSTUCBXFBUHBEN-UHFFFAOYSA-N 1 2 392.784 3.230 40 0 GGABLO CC[C@H](c1nnnn1CCc1ccccc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057671831 570364920 /nfs/dbraw/zinc/36/49/20/570364920.db2.gz UYLYEHOVWZIRGL-OAQYLSRUSA-N 1 2 394.498 3.328 40 0 GGABLO CCC[C@@H](c1nnnn1C1CCCC1)[NH+]1CCN(c2ccccc2OC)CC1 ZINC000057669575 570367080 /nfs/dbraw/zinc/36/70/80/570367080.db2.gz AICRRZABQMKHJX-IBGZPJMESA-N 1 2 384.528 3.460 40 0 GGABLO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057670287 570367812 /nfs/dbraw/zinc/36/78/12/570367812.db2.gz CPZALNUVTAZDIR-PMACEKPBSA-N 1 2 398.555 3.132 40 0 GGABLO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057670270 570367948 /nfs/dbraw/zinc/36/79/48/570367948.db2.gz UQMUDMJIAPHPJV-PZJWPPBQSA-N 1 2 398.555 3.132 40 0 GGABLO CC(C)C[C@@H](c1nnnn1Cc1ccco1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057671285 570368700 /nfs/dbraw/zinc/36/87/00/570368700.db2.gz XQSKKBGDVHTDJA-FQEVSTJZSA-N 1 2 398.486 3.363 40 0 GGABLO CC(C)[C@H](c1nnnn1Cc1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057671550 570368731 /nfs/dbraw/zinc/36/87/31/570368731.db2.gz XGKYNEUMKMXBBW-LJQANCHMSA-N 1 2 382.537 3.302 40 0 GGABLO COc1ccc(Cn2nnnc2[C@@H](c2ccncc2)[NH+]2CCCCCC2)cc1 ZINC000057710748 570370501 /nfs/dbraw/zinc/37/05/01/570370501.db2.gz SNXMTPPSZHBHOT-HXUWFJFHSA-N 1 2 378.480 3.090 40 0 GGABLO OC1CC[NH+]([C@@H](c2nnnn2C2CCCC2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000057710724 570370658 /nfs/dbraw/zinc/37/06/58/570370658.db2.gz HWUBGIMYDHHRNI-QGZVFWFLSA-N 1 2 395.429 3.353 40 0 GGABLO COc1ccc(Cl)cc1NC(=O)N1CCCSC[C@H]1C[NH+]1CCOCC1 ZINC000090609212 570385115 /nfs/dbraw/zinc/38/51/15/570385115.db2.gz RYHWJASFRZSCBN-OAHLLOKOSA-N 1 2 399.944 3.020 40 0 GGABLO CC(=O)c1ccc(NC(=O)C[NH+]2CCC(n3nnc4cc(F)ccc43)CC2)cc1 ZINC000004895569 570416046 /nfs/dbraw/zinc/41/60/46/570416046.db2.gz FIYXFMUPRHLPCJ-UHFFFAOYSA-N 1 2 395.438 3.049 40 0 GGABLO COc1ccc(C[NH+]2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)cc1 ZINC000024118950 570419422 /nfs/dbraw/zinc/41/94/22/570419422.db2.gz ICHBTGBITLAPFY-UHFFFAOYSA-N 1 2 375.472 3.444 40 0 GGABLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000245267499 570435061 /nfs/dbraw/zinc/43/50/61/570435061.db2.gz MABCOZZEGFRPNG-NUJGCVRESA-N 1 2 393.553 3.134 40 0 GGABLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000245267499 570435065 /nfs/dbraw/zinc/43/50/65/570435065.db2.gz MABCOZZEGFRPNG-NUJGCVRESA-N 1 2 393.553 3.134 40 0 GGABLO CCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@@H]3C(=O)c2ccccc2)cc1 ZINC000035876585 570435056 /nfs/dbraw/zinc/43/50/56/570435056.db2.gz BRHTWTJGFOAPDG-NCYKPQTJSA-N 1 2 388.467 3.084 40 0 GGABLO CCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@H+]2[C@@H]3C(=O)c2ccccc2)cc1 ZINC000035876585 570435060 /nfs/dbraw/zinc/43/50/60/570435060.db2.gz BRHTWTJGFOAPDG-NCYKPQTJSA-N 1 2 388.467 3.084 40 0 GGABLO CCc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4ccccc4)[N@H+]4CCC[C@H]4[C@H]3C2=O)cc1 ZINC000035876583 570435097 /nfs/dbraw/zinc/43/50/97/570435097.db2.gz BRHTWTJGFOAPDG-BQJUDKOJSA-N 1 2 388.467 3.084 40 0 GGABLO CCc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4ccccc4)[N@@H+]4CCC[C@H]4[C@H]3C2=O)cc1 ZINC000035876583 570435102 /nfs/dbraw/zinc/43/51/02/570435102.db2.gz BRHTWTJGFOAPDG-BQJUDKOJSA-N 1 2 388.467 3.084 40 0 GGABLO Cc1cc(O[C@H](C)C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)ccc1C(C)C ZINC000044406335 570444391 /nfs/dbraw/zinc/44/43/91/570444391.db2.gz DTNBWTZHNNTIPE-GOSISDBHSA-N 1 2 397.519 3.434 40 0 GGABLO O=C(CSc1ccc(F)cc1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000024135485 570449427 /nfs/dbraw/zinc/44/94/27/570449427.db2.gz TVKDUIQFWPZSCN-UHFFFAOYSA-N 1 2 386.492 3.197 40 0 GGABLO COc1ccc(Cl)cc1C(=O)Nc1c[nH+]c(N2CCCC2)nc1N(C)C ZINC000224352863 570450120 /nfs/dbraw/zinc/45/01/20/570450120.db2.gz HKXARTGXPXUQLN-UHFFFAOYSA-N 1 2 375.860 3.057 40 0 GGABLO CCC[C@@H](c1nnnn1C1CCCC1)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000035290710 570458235 /nfs/dbraw/zinc/45/82/35/570458235.db2.gz DLYMEKLDOVQTPH-FQEVSTJZSA-N 1 2 398.555 3.456 40 0 GGABLO CC[C@@H](c1nnnn1C1CCCCC1)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000035290706 570458434 /nfs/dbraw/zinc/45/84/34/570458434.db2.gz RRSCSPWKLMLDMQ-FQEVSTJZSA-N 1 2 398.555 3.456 40 0 GGABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[NH+]3CCCCC3)cc2c1 ZINC000000782099 570480374 /nfs/dbraw/zinc/48/03/74/570480374.db2.gz VLLKKNIUOAZDEH-LJQANCHMSA-N 1 2 394.523 3.407 40 0 GGABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[NH+]3CCCCC3)cc2c1 ZINC000000782098 570480402 /nfs/dbraw/zinc/48/04/02/570480402.db2.gz VLLKKNIUOAZDEH-IBGZPJMESA-N 1 2 394.523 3.407 40 0 GGABLO Cc1cc2cc([C@@H](c3nnnn3C(C)(C)C)[NH+]3CCCCC3)c(=O)[nH]c2cc1C ZINC000000782528 570480407 /nfs/dbraw/zinc/48/04/07/570480407.db2.gz XAZKVNRAFICIAQ-IBGZPJMESA-N 1 2 394.523 3.462 40 0 GGABLO Cc1noc(C)c1C[N@H+]1C[C@@H]2[C@H](C1)Oc1ccc(C(F)(F)F)cc1C(=O)N2C ZINC000514288630 570492963 /nfs/dbraw/zinc/49/29/63/570492963.db2.gz JGKYAFNLWIWXLG-WBVHZDCISA-N 1 2 395.381 3.028 40 0 biogenic,in-vitro GGABLO Cc1noc(C)c1C[N@@H+]1C[C@@H]2[C@H](C1)Oc1ccc(C(F)(F)F)cc1C(=O)N2C ZINC000514288630 570492964 /nfs/dbraw/zinc/49/29/64/570492964.db2.gz JGKYAFNLWIWXLG-WBVHZDCISA-N 1 2 395.381 3.028 40 0 biogenic,in-vitro GGABLO C[C@@H]1CCCC[C@H]1NC(=O)Cn1c(C[NH+]2CCCCC2)nc2ccccc2c1=O ZINC000000920465 570537154 /nfs/dbraw/zinc/53/71/54/570537154.db2.gz OMUGRPAXPCUJSF-IEBWSBKVSA-N 1 2 396.535 3.077 40 0 GGABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[NH+]3CCCCC3)cc2c1 ZINC000000930083 570540374 /nfs/dbraw/zinc/54/03/74/570540374.db2.gz RPVTWDWAFQJYGR-GOSISDBHSA-N 1 2 380.496 3.153 40 0 GGABLO COC(=O)c1c(NC(=O)c2cc(Cl)ccc2OC)sc2c1CC[N@H+](C)C2 ZINC000225039377 570545011 /nfs/dbraw/zinc/54/50/11/570545011.db2.gz RURAKTZBUAOFNK-UHFFFAOYSA-N 1 2 394.880 3.437 40 0 GGABLO COC(=O)c1c(NC(=O)c2cc(Cl)ccc2OC)sc2c1CC[N@@H+](C)C2 ZINC000225039377 570545014 /nfs/dbraw/zinc/54/50/14/570545014.db2.gz RURAKTZBUAOFNK-UHFFFAOYSA-N 1 2 394.880 3.437 40 0 GGABLO COc1ccc(C[NH+]2CCN([C@H](C)C(=O)Nc3ccccc3C)CC2)cc1OC ZINC000022789460 570547980 /nfs/dbraw/zinc/54/79/80/570547980.db2.gz WEOXHFIQENSSNH-GOSISDBHSA-N 1 2 397.519 3.157 40 0 GGABLO O=C(c1ccccc1)[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035073842 570549188 /nfs/dbraw/zinc/54/91/88/570549188.db2.gz LNFNIZFZHGGWDR-YRXWBPOGSA-N 1 2 394.858 3.175 40 0 GGABLO O=C(c1ccccc1)[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035073842 570549190 /nfs/dbraw/zinc/54/91/90/570549190.db2.gz LNFNIZFZHGGWDR-YRXWBPOGSA-N 1 2 394.858 3.175 40 0 GGABLO COc1c2c(cc3c1[C@@H](c1c(=O)[nH][nH]c1-c1ccccc1)[N@H+](C)CC3)OCO2 ZINC000035254162 570550810 /nfs/dbraw/zinc/55/08/10/570550810.db2.gz IIUOGHLQZPQSIP-SFHVURJKSA-N 1 2 379.416 3.097 40 0 GGABLO COc1c2c(cc3c1[C@@H](c1c(=O)[nH][nH]c1-c1ccccc1)[N@@H+](C)CC3)OCO2 ZINC000035254162 570550813 /nfs/dbraw/zinc/55/08/13/570550813.db2.gz IIUOGHLQZPQSIP-SFHVURJKSA-N 1 2 379.416 3.097 40 0 GGABLO O=C(c1ccccc1)[C@@H]1[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000009357169 570556034 /nfs/dbraw/zinc/55/60/34/570556034.db2.gz GCROWAQCHLPUIQ-YRXWBPOGSA-N 1 2 394.858 3.175 40 0 GGABLO O=C(c1ccccc1)[C@@H]1[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000009357169 570556037 /nfs/dbraw/zinc/55/60/37/570556037.db2.gz GCROWAQCHLPUIQ-YRXWBPOGSA-N 1 2 394.858 3.175 40 0 GGABLO Cc1ccc(N2C(=S)N=NC2C[NH2+]CC(=O)N(c2ccccc2)C(C)C)cc1 ZINC000040163767 570562675 /nfs/dbraw/zinc/56/26/75/570562675.db2.gz FHCMGHXVEFAYIO-UHFFFAOYSA-N 1 2 395.532 3.396 40 0 GGABLO Cc1cc(C)c(N2C(=O)C[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2=O)c(C)c1 ZINC000036633934 570566130 /nfs/dbraw/zinc/56/61/30/570566130.db2.gz KSDDFAODNPOYKZ-HXUWFJFHSA-N 1 2 377.488 3.066 40 0 GGABLO O=C(Nc1nnc(-c2ccccc2F)s1)c1ccccc1C[NH+]1CCOCC1 ZINC000036752458 570569998 /nfs/dbraw/zinc/56/99/98/570569998.db2.gz KEURGVDZBSTUPD-UHFFFAOYSA-N 1 2 398.463 3.429 40 0 GGABLO Cc1ccc2[nH+]c(C)cc(OCC(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)c2c1 ZINC000036752218 570570000 /nfs/dbraw/zinc/57/00/00/570570000.db2.gz XIIXOXNGDITRHQ-UHFFFAOYSA-N 1 2 390.443 3.060 40 0 GGABLO COC(=O)c1ccc(C)c(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000225453614 570575912 /nfs/dbraw/zinc/57/59/12/570575912.db2.gz BUMHIRQYMHXOMF-UHFFFAOYSA-N 1 2 380.473 3.454 40 0 GGABLO CCc1nn2c(ncc3c2ccn(CCc2c[nH+]c[nH]2)c3=O)c1-c1ccccc1 ZINC000040387911 570599223 /nfs/dbraw/zinc/59/92/23/570599223.db2.gz FDWWZNUHLTZIFH-UHFFFAOYSA-N 1 2 384.443 3.239 40 0 GGABLO CCc1nn2c(ncc3c2ccn(CCc2c[nH]c[nH+]2)c3=O)c1-c1ccccc1 ZINC000040387911 570599227 /nfs/dbraw/zinc/59/92/27/570599227.db2.gz FDWWZNUHLTZIFH-UHFFFAOYSA-N 1 2 384.443 3.239 40 0 GGABLO CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000225688642 570603137 /nfs/dbraw/zinc/60/31/37/570603137.db2.gz SQEOEFQJKUWHPU-OAQYLSRUSA-N 1 2 378.513 3.177 40 0 GGABLO CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000225698995 570604973 /nfs/dbraw/zinc/60/49/73/570604973.db2.gz YNWQYVSFPCUALO-NRFANRHFSA-N 1 2 378.513 3.322 40 0 GGABLO COc1ccc([C@@H](NC(=O)[C@@H](C)c2ccccc2)c2[nH+]ccn2C)cc1OC ZINC000012114953 570610007 /nfs/dbraw/zinc/61/00/07/570610007.db2.gz YYCGOTISOSSGPV-MGPUTAFESA-N 1 2 379.460 3.447 40 0 GGABLO Cc1cccc(CCNC(=O)C2CCN(c3[nH+]c4ccccc4n3C)CC2)c1 ZINC000012116337 570611098 /nfs/dbraw/zinc/61/10/98/570611098.db2.gz OLJOQSWQNHBPLG-UHFFFAOYSA-N 1 2 376.504 3.457 40 0 GGABLO COc1ccc(CCNC(=O)[C@@H]2CCCN(c3[nH+]c4ccccc4n3C)C2)cc1 ZINC000012116438 570611111 /nfs/dbraw/zinc/61/11/11/570611111.db2.gz BAMCDSPRVNJKMV-GOSISDBHSA-N 1 2 392.503 3.157 40 0 GGABLO COc1ccc(CCNC(=O)[C@H]2CCCN(c3[nH+]c4ccccc4n3C)C2)cc1 ZINC000012116439 570611127 /nfs/dbraw/zinc/61/11/27/570611127.db2.gz BAMCDSPRVNJKMV-SFHVURJKSA-N 1 2 392.503 3.157 40 0 GGABLO O=C(C[NH+]1Cc2ccccc2C1)N1CCC[C@H](c2ncncc2-c2ccncc2)C1 ZINC000012118539 570612642 /nfs/dbraw/zinc/61/26/42/570612642.db2.gz UVLNGCKPWXNUHR-NRFANRHFSA-N 1 2 399.498 3.260 40 0 GGABLO Cn1ccnc1[C@H](O)c1ccccc1N1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000012143364 570615512 /nfs/dbraw/zinc/61/55/12/570615512.db2.gz LYVLCFYMZQGDTO-OAQYLSRUSA-N 1 2 398.457 3.102 40 0 GGABLO Fc1cccc(F)c1NC(=S)NCc1ccccc1C[NH+]1CCOCC1 ZINC000225778235 570616378 /nfs/dbraw/zinc/61/63/78/570616378.db2.gz PIRSIINYSYRJMY-UHFFFAOYSA-N 1 2 377.460 3.284 40 0 GGABLO COc1cccc(O[C@H](C)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000041292879 570616610 /nfs/dbraw/zinc/61/66/10/570616610.db2.gz IOTSHNRXSIGRIC-QPGLYAHGSA-N 1 2 380.488 3.320 40 0 GGABLO COc1cccc(O[C@@H](C)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000041292877 570616618 /nfs/dbraw/zinc/61/66/18/570616618.db2.gz IOTSHNRXSIGRIC-VQFGERMISA-N 1 2 380.488 3.320 40 0 GGABLO CC(C)[C@H]1C[N@H+](Cc2ccco2)CCN1C(=O)c1ccc(Cn2cccn2)o1 ZINC000012156456 570618588 /nfs/dbraw/zinc/61/85/88/570618588.db2.gz NYBZVVHILBLMJS-LJQANCHMSA-N 1 2 382.464 3.100 40 0 GGABLO CC(C)[C@H]1C[N@@H+](Cc2ccco2)CCN1C(=O)c1ccc(Cn2cccn2)o1 ZINC000012156456 570618591 /nfs/dbraw/zinc/61/85/91/570618591.db2.gz NYBZVVHILBLMJS-LJQANCHMSA-N 1 2 382.464 3.100 40 0 GGABLO COc1ccc(C[N@@H+](Cc2cnc(SC)nc2)C[C@@H]2CCCO2)c(OC)c1 ZINC000012187279 570621323 /nfs/dbraw/zinc/62/13/23/570621323.db2.gz RBQMKNUYBBSRII-SFHVURJKSA-N 1 2 389.521 3.397 40 0 GGABLO COc1ccc(C[N@H+](Cc2cnc(SC)nc2)C[C@@H]2CCCO2)c(OC)c1 ZINC000012187279 570621324 /nfs/dbraw/zinc/62/13/24/570621324.db2.gz RBQMKNUYBBSRII-SFHVURJKSA-N 1 2 389.521 3.397 40 0 GGABLO COc1cccc(C[N@H+](Cc2ccco2)Cc2cnc(N3CCOCC3)nc2)c1 ZINC000012186692 570621347 /nfs/dbraw/zinc/62/13/47/570621347.db2.gz VWSJCTUAJQFEQH-UHFFFAOYSA-N 1 2 394.475 3.117 40 0 GGABLO COc1cccc(C[N@@H+](Cc2ccco2)Cc2cnc(N3CCOCC3)nc2)c1 ZINC000012186692 570621349 /nfs/dbraw/zinc/62/13/49/570621349.db2.gz VWSJCTUAJQFEQH-UHFFFAOYSA-N 1 2 394.475 3.117 40 0 GGABLO COc1ccccc1C[N@@H+](Cc1ccnc(N2CCCC2)n1)C[C@@H]1CCCO1 ZINC000012187605 570621469 /nfs/dbraw/zinc/62/14/69/570621469.db2.gz ICBJFIDDJDEXAE-FQEVSTJZSA-N 1 2 382.508 3.267 40 0 GGABLO COc1ccccc1C[N@H+](Cc1ccnc(N2CCCC2)n1)C[C@@H]1CCCO1 ZINC000012187605 570621471 /nfs/dbraw/zinc/62/14/71/570621471.db2.gz ICBJFIDDJDEXAE-FQEVSTJZSA-N 1 2 382.508 3.267 40 0 GGABLO Cc1csc([C@H](Cc2ccsc2)NC(=O)C[N@@H+](C)Cc2cccnc2)n1 ZINC000012227836 570629043 /nfs/dbraw/zinc/62/90/43/570629043.db2.gz NLXWZARYTJXAKN-KRWDZBQOSA-N 1 2 386.546 3.440 40 0 GGABLO Cc1csc([C@H](Cc2ccsc2)NC(=O)C[N@H+](C)Cc2cccnc2)n1 ZINC000012227836 570629048 /nfs/dbraw/zinc/62/90/48/570629048.db2.gz NLXWZARYTJXAKN-KRWDZBQOSA-N 1 2 386.546 3.440 40 0 GGABLO COc1ccccc1NC(=O)C[N@H+]1CC=C(c2cc3nc(C)cc(C)n3n2)CC1 ZINC000012233092 570629398 /nfs/dbraw/zinc/62/93/98/570629398.db2.gz KNIIQPKSLUTTPS-UHFFFAOYSA-N 1 2 391.475 3.083 40 0 GGABLO COc1ccccc1NC(=O)C[N@@H+]1CC=C(c2cc3nc(C)cc(C)n3n2)CC1 ZINC000012233092 570629403 /nfs/dbraw/zinc/62/94/03/570629403.db2.gz KNIIQPKSLUTTPS-UHFFFAOYSA-N 1 2 391.475 3.083 40 0 GGABLO CNc1ncc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccncc2)cn1 ZINC000012240813 570630050 /nfs/dbraw/zinc/63/00/50/570630050.db2.gz VLUKGYYJDREUAE-NRFANRHFSA-N 1 2 391.475 3.078 40 0 GGABLO CNc1ncc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccncc2)cn1 ZINC000012240813 570630051 /nfs/dbraw/zinc/63/00/51/570630051.db2.gz VLUKGYYJDREUAE-NRFANRHFSA-N 1 2 391.475 3.078 40 0 GGABLO CCc1c(C)nc2cc([C@@H]3CC[N@H+](Cc4ccc(OC)c(OC)c4)C3)[nH]n2c1=O ZINC000012276374 570632440 /nfs/dbraw/zinc/63/24/40/570632440.db2.gz FMNWQYQMIPGRPD-MRXNPFEDSA-N 1 2 396.491 3.312 40 0 GGABLO CCc1c(C)nc2cc([C@@H]3CC[N@@H+](Cc4ccc(OC)c(OC)c4)C3)[nH]n2c1=O ZINC000012276374 570632441 /nfs/dbraw/zinc/63/24/41/570632441.db2.gz FMNWQYQMIPGRPD-MRXNPFEDSA-N 1 2 396.491 3.312 40 0 GGABLO Cc1cccc2cc([C@H](c3nnnn3C(C)C)[NH+]3CCC(C)CC3)c(=O)[nH]c12 ZINC000004848712 570634802 /nfs/dbraw/zinc/63/48/02/570634802.db2.gz CKHWZJRPPFNRLO-LJQANCHMSA-N 1 2 380.496 3.225 40 0 GGABLO CCOc1ccc(CCCNC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000044851479 570636064 /nfs/dbraw/zinc/63/60/64/570636064.db2.gz ZMUDVHNWWOVSCP-UHFFFAOYSA-N 1 2 382.504 3.280 40 0 GGABLO CC[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857028 570637001 /nfs/dbraw/zinc/63/70/01/570637001.db2.gz YSGBSMVEEVYGAK-HXUWFJFHSA-N 1 2 397.500 3.216 40 0 GGABLO COc1cc(CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)ccc1OC(C)C ZINC000044899777 570639890 /nfs/dbraw/zinc/63/98/90/570639890.db2.gz JQBRUJVEBRVUIX-UHFFFAOYSA-N 1 2 398.503 3.245 40 0 GGABLO CCOc1ccc(CNC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1OCC ZINC000044905193 570641688 /nfs/dbraw/zinc/64/16/88/570641688.db2.gz KMLRUZNELWXRNV-UHFFFAOYSA-N 1 2 398.503 3.246 40 0 GGABLO Cc1ccc(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3Cl)CC2)cc1 ZINC000004909101 570647818 /nfs/dbraw/zinc/64/78/18/570647818.db2.gz AORHZFWHXMSIHS-UHFFFAOYSA-N 1 2 385.895 3.481 40 0 GGABLO Cc1ccccc1C(=O)NC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000004909152 570647838 /nfs/dbraw/zinc/64/78/38/570647838.db2.gz NNHPKAIJJJSKER-UHFFFAOYSA-N 1 2 385.895 3.481 40 0 GGABLO Cc1ccccc1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2Cl)CC1 ZINC000004909113 570647984 /nfs/dbraw/zinc/64/79/84/570647984.db2.gz ITKWBVFLNHXOEQ-UHFFFAOYSA-N 1 2 385.895 3.481 40 0 GGABLO O=C(C[NH+]1CCCC1)Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CC2)cs1 ZINC000005002392 570652136 /nfs/dbraw/zinc/65/21/36/570652136.db2.gz JMQCTGORVKWKGN-UHFFFAOYSA-N 1 2 396.516 3.144 40 0 GGABLO CC(C)[N@H+](CC(N)=O)CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000024989452 570662231 /nfs/dbraw/zinc/66/22/31/570662231.db2.gz QPLLLUGTGTYXJW-UHFFFAOYSA-N 1 2 375.856 3.267 40 0 GGABLO CC(C)[N@@H+](CC(N)=O)CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000024989452 570662233 /nfs/dbraw/zinc/66/22/33/570662233.db2.gz QPLLLUGTGTYXJW-UHFFFAOYSA-N 1 2 375.856 3.267 40 0 GGABLO CC(C)NC(=O)CSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1 ZINC000005362608 570662364 /nfs/dbraw/zinc/66/23/64/570662364.db2.gz SOTJJWZFLXYFGJ-UHFFFAOYSA-N 1 2 391.516 3.009 40 0 GGABLO COC(=O)c1ccccc1Nc1cc(N)[nH+]c(-c2ccc(OC)c(OC)c2)n1 ZINC000049468201 570663443 /nfs/dbraw/zinc/66/34/43/570663443.db2.gz KMIFGXQKRMBTMR-UHFFFAOYSA-N 1 2 380.404 3.273 40 0 GGABLO Cc1cccn2cc(CSc3nc4ccccc4c(=O)n3CCCO)[nH+]c12 ZINC000008725019 570681299 /nfs/dbraw/zinc/68/12/99/570681299.db2.gz JYRPFCLXQJSPNE-UHFFFAOYSA-N 1 2 380.473 3.027 40 0 GGABLO O=C(COc1ccc2c(c1)CCCC2)NCc1ccccc1C[NH+]1CCOCC1 ZINC000156798009 570696805 /nfs/dbraw/zinc/69/68/05/570696805.db2.gz QYBUSHFDOPXHQU-UHFFFAOYSA-N 1 2 394.515 3.093 40 0 GGABLO O=C(NC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1)c1ccc(F)cc1 ZINC000025217738 570741225 /nfs/dbraw/zinc/74/12/25/570741225.db2.gz MVPOAXJUDRZDGW-UHFFFAOYSA-N 1 2 392.434 3.046 40 0 GGABLO Cc1[nH+]cc(-c2nccnc2CC2CCN(C(=O)c3cccc(F)c3)CC2)n1C ZINC000257224945 570763601 /nfs/dbraw/zinc/76/36/01/570763601.db2.gz FEBDCQQMONZTBA-UHFFFAOYSA-N 1 2 393.466 3.420 40 0 GGABLO Cc1cc(C(=O)N2CCC[C@H](Cc3ccc(-c4c[nH+]c(C)n4C)nc3)C2)no1 ZINC000257226405 570763992 /nfs/dbraw/zinc/76/39/92/570763992.db2.gz FKNHCWFEOLIDPR-QGZVFWFLSA-N 1 2 379.464 3.182 40 0 GGABLO Cc1cc(C(=O)N2CCC[C@@H](Cc3ccc(-c4c[nH+]c(C)n4C)nc3)C2)no1 ZINC000257226404 570764144 /nfs/dbraw/zinc/76/41/44/570764144.db2.gz FKNHCWFEOLIDPR-KRWDZBQOSA-N 1 2 379.464 3.182 40 0 GGABLO COc1ccc([C@H]2C[C@@H](NC(C)=O)[C@@H]3CCCC[C@H]3O2)cc1Cn1cc[nH+]c1 ZINC000257236025 570766912 /nfs/dbraw/zinc/76/69/12/570766912.db2.gz HANMSCPLELBMMB-YVNJGZBMSA-N 1 2 383.492 3.465 40 0 GGABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000257239709 570767966 /nfs/dbraw/zinc/76/79/66/570767966.db2.gz HQLBYEPJHNREQH-JOCHJYFZSA-N 1 2 380.467 3.427 40 0 GGABLO Cc1nn(C)cc1C[N@H+]1CCO[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000257239709 570767968 /nfs/dbraw/zinc/76/79/68/570767968.db2.gz HQLBYEPJHNREQH-JOCHJYFZSA-N 1 2 380.467 3.427 40 0 GGABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(C)cc1 ZINC000261362087 570788029 /nfs/dbraw/zinc/78/80/29/570788029.db2.gz CBRMIJUDPFOPHS-FQEVSTJZSA-O 1 2 393.492 3.471 40 0 GGABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2C=Cc1ccccc1 ZINC000261361585 570788051 /nfs/dbraw/zinc/78/80/51/570788051.db2.gz ACVSXXNXVYKTPV-HHNLSAEISA-O 1 2 391.476 3.437 40 0 GGABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccc(F)c1 ZINC000261363039 570788239 /nfs/dbraw/zinc/78/82/39/570788239.db2.gz FRKNQGQFKTYKSJ-LJQANCHMSA-O 1 2 397.455 3.301 40 0 GGABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccccc1C ZINC000261362632 570788246 /nfs/dbraw/zinc/78/82/46/570788246.db2.gz MLDRIPCDBPYEJE-IBGZPJMESA-O 1 2 379.465 3.080 40 0 GGABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(C)o1 ZINC000261364344 570788480 /nfs/dbraw/zinc/78/84/80/570788480.db2.gz KWOSNIYWNOOCTC-IBGZPJMESA-O 1 2 397.480 3.454 40 0 GGABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(C)ccc1C ZINC000261366460 570789145 /nfs/dbraw/zinc/78/91/45/570789145.db2.gz ZXAQYJPCMUECNU-FQEVSTJZSA-O 1 2 393.492 3.389 40 0 GGABLO O=c1[nH]c2ccccc2n1CCC[NH+]1CCN(Cc2ccc(Cl)s2)CC1 ZINC000032759360 570794815 /nfs/dbraw/zinc/79/48/15/570794815.db2.gz DVONJDORLCOYLK-UHFFFAOYSA-N 1 2 390.940 3.252 40 0 GGABLO Cc1nc(N2CCC(NC(=O)[C@@H](C)Oc3ccccc3)CC2)c2c([nH+]1)CCCC2 ZINC000238826661 570802145 /nfs/dbraw/zinc/80/21/45/570802145.db2.gz DXOGJBLCKAKROZ-MRXNPFEDSA-N 1 2 394.519 3.216 40 0 GGABLO CC[N@H+](CCCNC(=O)N1CCN(c2ccccc2OC)CC1)c1ccccc1 ZINC000032795515 570815595 /nfs/dbraw/zinc/81/55/95/570815595.db2.gz MIZJQPUXKNLIEX-UHFFFAOYSA-N 1 2 396.535 3.443 40 0 GGABLO CC[N@@H+](CCCNC(=O)N1CCN(c2ccccc2OC)CC1)c1ccccc1 ZINC000032795515 570815599 /nfs/dbraw/zinc/81/55/99/570815599.db2.gz MIZJQPUXKNLIEX-UHFFFAOYSA-N 1 2 396.535 3.443 40 0 GGABLO O=C(CN1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)Nc1cccc(Cl)c1 ZINC000022933564 570817593 /nfs/dbraw/zinc/81/75/93/570817593.db2.gz ZLLBEIHCDHYUJT-UHFFFAOYSA-N 1 2 385.895 3.031 40 0 GGABLO CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc([NH+]4CCCCC4)cc3)ccc21 ZINC000070825474 570828664 /nfs/dbraw/zinc/82/86/64/570828664.db2.gz GLUIKHZBHCHGDX-UHFFFAOYSA-N 1 2 399.516 3.387 40 0 GGABLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000007437364 570843314 /nfs/dbraw/zinc/84/33/14/570843314.db2.gz ZIFNWRFKFCDMRS-FQEVSTJZSA-N 1 2 380.488 3.491 40 0 GGABLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000007437364 570843317 /nfs/dbraw/zinc/84/33/17/570843317.db2.gz ZIFNWRFKFCDMRS-FQEVSTJZSA-N 1 2 380.488 3.491 40 0 GGABLO CCc1[nH]c(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)c(C)c1C(=O)OC ZINC000032842320 570851090 /nfs/dbraw/zinc/85/10/90/570851090.db2.gz SXTOFALNIQXIHB-GOSISDBHSA-N 1 2 398.438 3.064 40 0 GGABLO COc1ccc(NC(=O)C[C@H]2[NH2+]CCc3c4cc(C)ccc4[nH]c3C2=O)cc1 ZINC000014162277 570878665 /nfs/dbraw/zinc/87/86/65/570878665.db2.gz JLUDFXKKBHWKKD-LJQANCHMSA-N 1 2 377.444 3.211 40 0 GGABLO CCN(CC)S(=O)(=O)N1CCC[C@@H]1c1ccc(Nc2cccc(C)[nH+]2)cn1 ZINC000072353050 570881302 /nfs/dbraw/zinc/88/13/02/570881302.db2.gz LQPVHWWDMJWULX-GOSISDBHSA-N 1 2 389.525 3.252 40 0 GGABLO COc1ccc(C[NH+]2CCN(C(=O)NCC3(c4ccccc4)CC3)CC2)cc1F ZINC000022427032 570891390 /nfs/dbraw/zinc/89/13/90/570891390.db2.gz RJJAWMZMHMNIGP-UHFFFAOYSA-N 1 2 397.494 3.393 40 0 GGABLO Cc1ccc(NC(=O)[C@@H]2C=C(O)NC(Nc3cccc(C(F)(F)F)c3)=[NH+]2)cc1 ZINC000014607662 570893739 /nfs/dbraw/zinc/89/37/39/570893739.db2.gz MDAAVSVFIMPYEF-HNNXBMFYSA-N 1 2 390.365 3.309 40 0 GGABLO O=C(NCC[NH+]1CCOCC1)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000023053503 570894666 /nfs/dbraw/zinc/89/46/66/570894666.db2.gz KVKMSOGAETTWON-UHFFFAOYSA-N 1 2 379.435 3.103 40 0 GGABLO Fc1ccc(-n2c(SCC[NH+]3CCOCC3)nnc2-c2ccccc2)cc1 ZINC000023073148 570900595 /nfs/dbraw/zinc/90/05/95/570900595.db2.gz SJGMNIJWWJOOEK-UHFFFAOYSA-N 1 2 384.480 3.498 40 0 GGABLO CCOc1cc(C[N@H+]2CCc3c(=O)[nH]c(N4CCCC[C@H]4C)nc3C2)ccc1O ZINC000257299979 570904430 /nfs/dbraw/zinc/90/44/30/570904430.db2.gz RSJXJUJHNYDOHH-OAHLLOKOSA-N 1 2 398.507 3.224 40 0 GGABLO O=C(C[NH+]1CCC(NC(=O)c2ccco2)CC1)Nc1ccccc1C(F)(F)F ZINC000015935804 570908971 /nfs/dbraw/zinc/90/89/71/570908971.db2.gz RNUYLBDJRKUFQY-UHFFFAOYSA-N 1 2 395.381 3.131 40 0 GGABLO CC[N@@H+](Cc1cc(=O)oc2cc(C)ccc12)Cc1nc2ccccc2c(=O)[nH]1 ZINC000016554885 570927895 /nfs/dbraw/zinc/92/78/95/570927895.db2.gz OPBBEZNSHIGQHE-UHFFFAOYSA-N 1 2 375.428 3.360 40 0 GGABLO CC[N@H+](Cc1cc(=O)oc2cc(C)ccc12)Cc1nc2ccccc2c(=O)[nH]1 ZINC000016554885 570927899 /nfs/dbraw/zinc/92/78/99/570927899.db2.gz OPBBEZNSHIGQHE-UHFFFAOYSA-N 1 2 375.428 3.360 40 0 GGABLO COCCn1nnnc1[C@@H](c1cccs1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000019594143 570929295 /nfs/dbraw/zinc/92/92/95/570929295.db2.gz QYFAPZMNFYJGRS-HXUWFJFHSA-N 1 2 397.548 3.425 40 0 GGABLO O=C1C[C@@]2(CN1c1ccc(F)cc1)COCC[N@H+](Cc1cc(F)ccc1F)C2 ZINC000585104782 570933507 /nfs/dbraw/zinc/93/35/07/570933507.db2.gz SZRQPOJABXLNOY-OAQYLSRUSA-N 1 2 390.405 3.359 40 0 GGABLO O=C1C[C@@]2(CN1c1ccc(F)cc1)COCC[N@@H+](Cc1cc(F)ccc1F)C2 ZINC000585104782 570933512 /nfs/dbraw/zinc/93/35/12/570933512.db2.gz SZRQPOJABXLNOY-OAQYLSRUSA-N 1 2 390.405 3.359 40 0 GGABLO C[C@@H]1CCC[C@H](NC(=O)CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)[C@H]1C ZINC000110524318 570939663 /nfs/dbraw/zinc/93/96/63/570939663.db2.gz MDOOZNIYCLJUBZ-UWVAXJGDSA-N 1 2 377.960 3.399 40 0 GGABLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)[C@H]1C ZINC000110524318 570939668 /nfs/dbraw/zinc/93/96/68/570939668.db2.gz MDOOZNIYCLJUBZ-UWVAXJGDSA-N 1 2 377.960 3.399 40 0 GGABLO COCc1ccccc1-c1c[nH+]c2n1CCN(C(=O)c1sc(C)nc1C)CC2 ZINC000585111253 570945663 /nfs/dbraw/zinc/94/56/63/570945663.db2.gz LLCKHIALUPSVGH-UHFFFAOYSA-N 1 2 396.516 3.468 40 0 GGABLO COCc1ccc(C(=O)N2CCc3[nH+]cc(-c4ccc(OC)cc4)n3CC2)cc1 ZINC000585111315 570945690 /nfs/dbraw/zinc/94/56/90/570945690.db2.gz OCUHCUVDYNOYJE-UHFFFAOYSA-N 1 2 391.471 3.404 40 0 GGABLO Cc1cc(OCC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)ccc1C(C)C ZINC000012173006 570960531 /nfs/dbraw/zinc/96/05/31/570960531.db2.gz WXINZMINZLWFIH-UHFFFAOYSA-N 1 2 383.492 3.045 40 0 GGABLO Cc1cc(S(=O)(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)ccc1OC(C)C ZINC000107332447 570972688 /nfs/dbraw/zinc/97/26/88/570972688.db2.gz OLXFQXZRIAPURY-FQEVSTJZSA-N 1 2 388.533 3.460 40 0 GGABLO Cc1cc(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)ccc1OC(C)C ZINC000107332447 570972689 /nfs/dbraw/zinc/97/26/89/570972689.db2.gz OLXFQXZRIAPURY-FQEVSTJZSA-N 1 2 388.533 3.460 40 0 GGABLO COc1ccc(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(OC)c1OC ZINC000012733648 570977594 /nfs/dbraw/zinc/97/75/94/570977594.db2.gz POROCOOLHOFSLK-AWEZNQCLSA-N 1 2 381.432 3.389 40 0 GGABLO Cc1ccc(C(=O)N[C@H]2C[C@@H](c3nc(Cc4ccccc4)no3)[N@H+](C)C2)cc1 ZINC000020464233 575366343 /nfs/dbraw/zinc/36/63/43/575366343.db2.gz IDXODFITMBGDDA-OALUTQOASA-N 1 2 376.460 3.144 40 0 biogenic,in-vitro GGABLO Cc1ccc(C(=O)N[C@H]2C[C@@H](c3nc(Cc4ccccc4)no3)[N@@H+](C)C2)cc1 ZINC000020464233 575366351 /nfs/dbraw/zinc/36/63/51/575366351.db2.gz IDXODFITMBGDDA-OALUTQOASA-N 1 2 376.460 3.144 40 0 biogenic,in-vitro GGABLO C[N@@H+]1C[C@@H](NC(=O)Nc2ccccc2)C[C@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000020464330 575366427 /nfs/dbraw/zinc/36/64/27/575366427.db2.gz DWDQFVOAECODIH-IRXDYDNUSA-N 1 2 381.411 3.443 40 0 biogenic,in-vitro GGABLO C[N@H+]1C[C@@H](NC(=O)Nc2ccccc2)C[C@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000020464330 575366434 /nfs/dbraw/zinc/36/64/34/575366434.db2.gz DWDQFVOAECODIH-IRXDYDNUSA-N 1 2 381.411 3.443 40 0 biogenic,in-vitro GGABLO CCNC(=O)N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(-c2ccc(F)c(Cl)c2)no1 ZINC000020464525 575366823 /nfs/dbraw/zinc/36/68/23/575366823.db2.gz QSSMVAATJSHKAH-AWEZNQCLSA-N 1 2 390.806 3.081 40 0 biogenic,in-vitro GGABLO CCNC(=O)N1Cc2[nH]c[nH+]c2C[C@H]1c1nc(-c2ccc(F)c(Cl)c2)no1 ZINC000020464525 575366828 /nfs/dbraw/zinc/36/68/28/575366828.db2.gz QSSMVAATJSHKAH-AWEZNQCLSA-N 1 2 390.806 3.081 40 0 biogenic,in-vitro GGABLO CC(=O)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000009332742 1398856782 /nfs/dbraw/zinc/85/67/82/1398856782.db2.gz GXCSIUNHINIJHW-LWYYNNOASA-N 1 2 392.842 3.444 40 0 GGABLO CC(=O)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000009332742 1398856783 /nfs/dbraw/zinc/85/67/83/1398856783.db2.gz GXCSIUNHINIJHW-LWYYNNOASA-N 1 2 392.842 3.444 40 0 GGABLO CCCCNC(=O)CSc1nnc([C@H](CC)[NH+](C)C)n1Cc1ccccc1 ZINC000012903680 1399064413 /nfs/dbraw/zinc/06/44/13/1399064413.db2.gz CDRUHSUYLANIGL-KRWDZBQOSA-N 1 2 389.569 3.348 40 0 GGABLO CCCCNC(=O)CSc1nnc([C@@H](CC)[NH+](C)C)n1Cc1ccccc1 ZINC000012903674 1399064507 /nfs/dbraw/zinc/06/45/07/1399064507.db2.gz CDRUHSUYLANIGL-QGZVFWFLSA-N 1 2 389.569 3.348 40 0 GGABLO Cc1cc(N2CCN([C@H](C)C(=O)Nc3ccccc3C)CC2)nc(C(C)C)[nH+]1 ZINC000027545391 1400053390 /nfs/dbraw/zinc/05/33/90/1400053390.db2.gz MMVZKHUVTBAQDG-GOSISDBHSA-N 1 2 381.524 3.366 40 0 GGABLO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1OC(F)F ZINC000029931918 1400382501 /nfs/dbraw/zinc/38/25/01/1400382501.db2.gz FXLMWLWZHUWDQW-UHFFFAOYSA-N 1 2 376.403 3.050 40 0 GGABLO Cc1c(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2F)c(=O)n(-c2ccccc2)n1C ZINC000057530606 1407644012 /nfs/dbraw/zinc/64/40/12/1407644012.db2.gz WNLVKPRNNYMSRU-INIZCTEOSA-N 1 2 396.466 3.083 40 0 GGABLO Cc1c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2F)c(=O)n(-c2ccccc2)n1C ZINC000057530606 1407644023 /nfs/dbraw/zinc/64/40/23/1407644023.db2.gz WNLVKPRNNYMSRU-INIZCTEOSA-N 1 2 396.466 3.083 40 0 GGABLO CCOc1ccc([C@H]([NH3+])c2nc(COc3ccc(Cl)cc3)n[nH]2)cc1OC ZINC000095534218 1410315279 /nfs/dbraw/zinc/31/52/79/1410315279.db2.gz IVZGUGAHEIWRMT-SFHVURJKSA-N 1 2 388.855 3.493 40 0 GGABLO CCOc1ccc([C@H]([NH3+])c2nc(CNc3ccc(OC)cc3)n[nH]2)cc1OCC ZINC000095534542 1410315351 /nfs/dbraw/zinc/31/53/51/1410315351.db2.gz CMQXKUURAHUFSS-FQEVSTJZSA-N 1 2 397.479 3.271 40 0 GGABLO COc1cc(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)N2CCCCC2)ccc1O ZINC000199431513 1433352740 /nfs/dbraw/zinc/35/27/40/1433352740.db2.gz IJTPGZYLYAUTNG-FQEVSTJZSA-N 1 2 380.488 3.340 40 0 GGABLO COc1cc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)N2CCCCC2)ccc1O ZINC000199431513 1433352742 /nfs/dbraw/zinc/35/27/42/1433352742.db2.gz IJTPGZYLYAUTNG-FQEVSTJZSA-N 1 2 380.488 3.340 40 0 GGABLO COc1cc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)N2CCCCC2)ccc1O ZINC000199431497 1433352781 /nfs/dbraw/zinc/35/27/81/1433352781.db2.gz IJTPGZYLYAUTNG-HXUWFJFHSA-N 1 2 380.488 3.340 40 0 GGABLO COc1cc(C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)N2CCCCC2)ccc1O ZINC000199431497 1433352784 /nfs/dbraw/zinc/35/27/84/1433352784.db2.gz IJTPGZYLYAUTNG-HXUWFJFHSA-N 1 2 380.488 3.340 40 0 GGABLO O=C(CCn1cc[nH+]c1)NC[C@H]1CC[C@H](c2ncncc2-c2ccccn2)CC1 ZINC000254043490 1433870718 /nfs/dbraw/zinc/87/07/18/1433870718.db2.gz NUIUXIQHAXKYKU-IYARVYRRSA-N 1 2 390.491 3.215 40 0 GGABLO Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CCc2c(=O)[nH]c(-c3ccccn3)nc2C1 ZINC000019565500 210266523 /nfs/dbraw/zinc/26/65/23/210266523.db2.gz KGIJFXQUQIYMGE-UHFFFAOYSA-N 1 2 389.434 3.319 40 0 GGABLO Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CCc2c(=O)[nH]c(-c3ccccn3)nc2C1 ZINC000019565500 210266525 /nfs/dbraw/zinc/26/65/25/210266525.db2.gz KGIJFXQUQIYMGE-UHFFFAOYSA-N 1 2 389.434 3.319 40 0 GGABLO Cc1noc2nc(C3CCN(C(=O)CCn4cc[nH+]c4)CC3)cc(C(F)F)c12 ZINC000019564725 210265843 /nfs/dbraw/zinc/26/58/43/210265843.db2.gz YUBXPURDQXDNSR-UHFFFAOYSA-N 1 2 389.406 3.462 40 0 GGABLO COc1cc2c(cc1C[N@H+](CCN1CCOCC1)Cc1cccnc1)CCCC2 ZINC000019550504 210260874 /nfs/dbraw/zinc/26/08/74/210260874.db2.gz IDMIECVCJUVODS-UHFFFAOYSA-N 1 2 395.547 3.303 40 0 GGABLO COc1cc2c(cc1C[N@@H+](CCN1CCOCC1)Cc1cccnc1)CCCC2 ZINC000019550504 210260879 /nfs/dbraw/zinc/26/08/79/210260879.db2.gz IDMIECVCJUVODS-UHFFFAOYSA-N 1 2 395.547 3.303 40 0 GGABLO COc1cc2c(cc1CN(CC[NH+]1CCOCC1)Cc1cccnc1)CCCC2 ZINC000019550504 210260884 /nfs/dbraw/zinc/26/08/84/210260884.db2.gz IDMIECVCJUVODS-UHFFFAOYSA-N 1 2 395.547 3.303 40 0 GGABLO COc1ccc(-c2c(C)nn3c2nc(C)c(C)c3NCC[NH+]2CCOCC2)cc1 ZINC000019555637 210260537 /nfs/dbraw/zinc/26/05/37/210260537.db2.gz BYWGJHXKHGROBV-UHFFFAOYSA-N 1 2 395.507 3.074 40 0 GGABLO CCOC(=O)C1(C[C@@H]2CC(c3ccc(C)cc3)=NO2)CC[NH+](CC(C)=O)CC1 ZINC000019530178 210260146 /nfs/dbraw/zinc/26/01/46/210260146.db2.gz AKMPTXMMOSSEJC-IBGZPJMESA-N 1 2 386.492 3.112 40 0 GGABLO CCOc1ccc(C[N@@H+]2CCc3nc([C@@H]4CCCN(C(C)=O)C4)ncc3C2)cc1 ZINC000019533360 210257915 /nfs/dbraw/zinc/25/79/15/210257915.db2.gz GTZREDWHXCAHOI-LJQANCHMSA-N 1 2 394.519 3.160 40 0 GGABLO CCOc1ccc(C[N@H+]2CCc3nc([C@@H]4CCCN(C(C)=O)C4)ncc3C2)cc1 ZINC000019533360 210257920 /nfs/dbraw/zinc/25/79/20/210257920.db2.gz GTZREDWHXCAHOI-LJQANCHMSA-N 1 2 394.519 3.160 40 0 GGABLO CCn1c(C)cc(C(=O)C[NH+]2CCC(O)(Cn3ncc4ccccc43)CC2)c1C ZINC000019524119 210257211 /nfs/dbraw/zinc/25/72/11/210257211.db2.gz SINGXBFSULDISI-UHFFFAOYSA-N 1 2 394.519 3.184 40 0 GGABLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000019500335 210254360 /nfs/dbraw/zinc/25/43/60/210254360.db2.gz QMTOYAFBRPZNCM-VXKWHMMOSA-N 1 2 384.495 3.379 40 0 GGABLO CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000019500336 210254163 /nfs/dbraw/zinc/25/41/63/210254163.db2.gz QMTOYAFBRPZNCM-YADHBBJMSA-N 1 2 384.495 3.379 40 0 GGABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccc(Cl)c2)C3)C[C@H](C)O1 ZINC000019497600 210252786 /nfs/dbraw/zinc/25/27/86/210252786.db2.gz DWVQWFJBHWPEOR-OKILXGFUSA-N 1 2 388.899 3.008 40 0 GGABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccc(Cl)c2)C3)C[C@H](C)O1 ZINC000019497600 210252790 /nfs/dbraw/zinc/25/27/90/210252790.db2.gz DWVQWFJBHWPEOR-OKILXGFUSA-N 1 2 388.899 3.008 40 0 GGABLO O=C(CCn1cc[nH+]c1)NCCn1ncc(-c2ccccn2)c1-c1cccs1 ZINC000019402734 210248930 /nfs/dbraw/zinc/24/89/30/210248930.db2.gz FZIQMBVHMXMNCO-UHFFFAOYSA-N 1 2 392.488 3.077 40 0 GGABLO CCn1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(=O)c2cc(C)ccc21 ZINC000408713299 231103596 /nfs/dbraw/zinc/10/35/96/231103596.db2.gz RUQFWSGINKEBOD-UHFFFAOYSA-N 1 2 389.499 3.288 40 0 GGABLO O=C(c1ncoc1-c1cccs1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019344079 210242103 /nfs/dbraw/zinc/24/21/03/210242103.db2.gz APQMZCCCVHZETI-UHFFFAOYSA-N 1 2 397.456 3.090 40 0 GGABLO O=c1[nH]c(-c2cccnc2)nc2c1CC[N@@H+](Cc1ccc3cc(F)ccc3n1)C2 ZINC000019340109 210241885 /nfs/dbraw/zinc/24/18/85/210241885.db2.gz IQSPFELDXGPAOM-UHFFFAOYSA-N 1 2 387.418 3.490 40 0 GGABLO O=c1[nH]c(-c2cccnc2)nc2c1CC[N@H+](Cc1ccc3cc(F)ccc3n1)C2 ZINC000019340109 210241888 /nfs/dbraw/zinc/24/18/88/210241888.db2.gz IQSPFELDXGPAOM-UHFFFAOYSA-N 1 2 387.418 3.490 40 0 GGABLO Cn1c2ccccc2[nH+]c1N1CCC(C(=O)NCCc2ccccc2F)CC1 ZINC000019289971 210238183 /nfs/dbraw/zinc/23/81/83/210238183.db2.gz NSNVWDUDEIRMFT-UHFFFAOYSA-N 1 2 380.467 3.288 40 0 GGABLO Cc1[nH+]c2ccccc2n1C[C@@H](C)C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000019286753 210237434 /nfs/dbraw/zinc/23/74/34/210237434.db2.gz CZACIVPGRHOPBY-CHWSQXEVSA-N 1 2 378.432 3.339 40 0 GGABLO COc1c(C)cccc1C[N@@H+]1CCCC[C@H]1c1ncc2c(n1)CCN(C(C)=O)C2 ZINC000019235988 210234163 /nfs/dbraw/zinc/23/41/63/210234163.db2.gz BCTFEHLOXSHJIC-NRFANRHFSA-N 1 2 394.519 3.425 40 0 GGABLO COc1c(C)cccc1C[N@H+]1CCCC[C@H]1c1ncc2c(n1)CCN(C(C)=O)C2 ZINC000019235988 210234166 /nfs/dbraw/zinc/23/41/66/210234166.db2.gz BCTFEHLOXSHJIC-NRFANRHFSA-N 1 2 394.519 3.425 40 0 GGABLO COc1cccc(C[N@@H+]2CCN(C(=O)c3nc4cc(C)ccc4[nH]3)[C@@H](C)C2)c1 ZINC000019219661 210231042 /nfs/dbraw/zinc/23/10/42/210231042.db2.gz WNGDTVJRSVSUJK-INIZCTEOSA-N 1 2 378.476 3.226 40 0 GGABLO COc1cccc(C[N@H+]2CCN(C(=O)c3nc4cc(C)ccc4[nH]3)[C@@H](C)C2)c1 ZINC000019219661 210231047 /nfs/dbraw/zinc/23/10/47/210231047.db2.gz WNGDTVJRSVSUJK-INIZCTEOSA-N 1 2 378.476 3.226 40 0 GGABLO COc1cccc(C[N@@H+]2CCN(C(=O)c3nc4ccc(C)cc4[nH]3)[C@@H](C)C2)c1 ZINC000019219661 210231050 /nfs/dbraw/zinc/23/10/50/210231050.db2.gz WNGDTVJRSVSUJK-INIZCTEOSA-N 1 2 378.476 3.226 40 0 GGABLO COc1cccc(C[N@H+]2CCN(C(=O)c3nc4ccc(C)cc4[nH]3)[C@@H](C)C2)c1 ZINC000019219661 210231054 /nfs/dbraw/zinc/23/10/54/210231054.db2.gz WNGDTVJRSVSUJK-INIZCTEOSA-N 1 2 378.476 3.226 40 0 GGABLO CCc1cc2c(ncnc2N2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)s1 ZINC000019202710 210229228 /nfs/dbraw/zinc/22/92/28/210229228.db2.gz QAVXEIGASJHQPQ-UHFFFAOYSA-N 1 2 378.505 3.452 40 0 GGABLO CSc1ncc(C[NH+]2CCC(c3nnsc3-c3cc(C)no3)CC2)cn1 ZINC000019120824 210227561 /nfs/dbraw/zinc/22/75/61/210227561.db2.gz RZNYJEGFXAVMJG-UHFFFAOYSA-N 1 2 388.522 3.393 40 0 GGABLO CC(=O)N1CCC(c2ncc3c(n2)CC[N@@H+](Cc2ccccc2Cl)C3)CC1 ZINC000019016882 210222476 /nfs/dbraw/zinc/22/24/76/210222476.db2.gz BEKDVUAPDQYIMR-UHFFFAOYSA-N 1 2 384.911 3.414 40 0 GGABLO CC(=O)N1CCC(c2ncc3c(n2)CC[N@H+](Cc2ccccc2Cl)C3)CC1 ZINC000019016882 210222479 /nfs/dbraw/zinc/22/24/79/210222479.db2.gz BEKDVUAPDQYIMR-UHFFFAOYSA-N 1 2 384.911 3.414 40 0 GGABLO COc1cccc(C[N@@H+]2CCc3nc([C@H]4CCCCN4C(C)=O)ncc3C2)c1 ZINC000019017410 210221547 /nfs/dbraw/zinc/22/15/47/210221547.db2.gz HJQHJBQLWMTHGZ-OAQYLSRUSA-N 1 2 380.492 3.117 40 0 GGABLO COc1cccc(C[N@H+]2CCc3nc([C@H]4CCCCN4C(C)=O)ncc3C2)c1 ZINC000019017410 210221550 /nfs/dbraw/zinc/22/15/50/210221550.db2.gz HJQHJBQLWMTHGZ-OAQYLSRUSA-N 1 2 380.492 3.117 40 0 GGABLO CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CC[N@@H+](CCOc1ccc(F)cc1)C2 ZINC000019017397 210221617 /nfs/dbraw/zinc/22/16/17/210221617.db2.gz DFHAYFIFIUNROA-NRFANRHFSA-N 1 2 398.482 3.126 40 0 GGABLO CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CC[N@H+](CCOc1ccc(F)cc1)C2 ZINC000019017397 210221620 /nfs/dbraw/zinc/22/16/20/210221620.db2.gz DFHAYFIFIUNROA-NRFANRHFSA-N 1 2 398.482 3.126 40 0 GGABLO COc1ccc(C[N@@H+]2CCc3nc([C@H]4CCCCN4C(C)=O)ncc3C2)cc1 ZINC000019017407 210221754 /nfs/dbraw/zinc/22/17/54/210221754.db2.gz HXMWOFQFNIFSJP-OAQYLSRUSA-N 1 2 380.492 3.117 40 0 GGABLO COc1ccc(C[N@H+]2CCc3nc([C@H]4CCCCN4C(C)=O)ncc3C2)cc1 ZINC000019017407 210221758 /nfs/dbraw/zinc/22/17/58/210221758.db2.gz HXMWOFQFNIFSJP-OAQYLSRUSA-N 1 2 380.492 3.117 40 0 GGABLO CN(CC(=O)NC(C)(C)C)C(=O)C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000015034062 210146189 /nfs/dbraw/zinc/14/61/89/210146189.db2.gz XDMYEJZUGGRMQM-OAQYLSRUSA-N 1 2 399.560 3.069 40 0 GGABLO CN(CC(=O)NC(C)(C)C)C(=O)C[N@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000015034062 210146191 /nfs/dbraw/zinc/14/61/91/210146191.db2.gz XDMYEJZUGGRMQM-OAQYLSRUSA-N 1 2 399.560 3.069 40 0 GGABLO CN(CC(=O)NC(C)(C)C)C(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1 ZINC000015034060 210144502 /nfs/dbraw/zinc/14/45/02/210144502.db2.gz XDMYEJZUGGRMQM-NRFANRHFSA-N 1 2 399.560 3.069 40 0 GGABLO CN(CC(=O)NC(C)(C)C)C(=O)C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1 ZINC000015034060 210144507 /nfs/dbraw/zinc/14/45/07/210144507.db2.gz XDMYEJZUGGRMQM-NRFANRHFSA-N 1 2 399.560 3.069 40 0 GGABLO Cc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3[C@H]3CCC[N@@H+]32)cc1 ZINC000013557231 210067257 /nfs/dbraw/zinc/06/72/57/210067257.db2.gz TYIXOTSYIDPKQW-MXEMCNAFSA-N 1 2 388.467 3.139 40 0 GGABLO Cc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3[C@H]3CCC[N@H+]32)cc1 ZINC000013557231 210067260 /nfs/dbraw/zinc/06/72/60/210067260.db2.gz TYIXOTSYIDPKQW-MXEMCNAFSA-N 1 2 388.467 3.139 40 0 GGABLO Cc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)Cc4ccccc4)C[N@H+]3C)n2)cc1 ZINC000012529726 291128789 /nfs/dbraw/zinc/12/87/89/291128789.db2.gz CWSMFCYOHWNKGG-OALUTQOASA-N 1 2 376.460 3.149 40 0 biogenic,in-vitro GGABLO Cc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)Cc4ccccc4)C[N@@H+]3C)n2)cc1 ZINC000012529726 291128793 /nfs/dbraw/zinc/12/87/93/291128793.db2.gz CWSMFCYOHWNKGG-OALUTQOASA-N 1 2 376.460 3.149 40 0 biogenic,in-vitro GGABLO Nc1nc[nH+]c(N)c1NC(=O)c1ccc(OCCc2ccccc2)c(Cl)c1 ZINC000001749395 209339011 /nfs/dbraw/zinc/33/90/11/209339011.db2.gz DXCYZBCJLGUZBL-UHFFFAOYSA-N 1 2 383.839 3.168 40 0 GGABLO O=C(C1CCCCC1)N1CCN(c2[nH+]cnc3c2cnn3-c2ccccc2)CC1 ZINC000001372335 209324555 /nfs/dbraw/zinc/32/45/55/209324555.db2.gz DPAIDQDTAPAGDI-UHFFFAOYSA-N 1 2 390.491 3.044 40 0 GGABLO Cc1ccccc1-n1ncc2c1nc[nH+]c2SCC(=O)N1CCC(C)CC1 ZINC000001346298 209320781 /nfs/dbraw/zinc/32/07/81/209320781.db2.gz NQFCUFHBBKGROR-UHFFFAOYSA-N 1 2 381.505 3.475 40 0 GGABLO Cc1cccc2cc([C@@H](c3nnnn3C3CCCC3)[NH+]3CCCC3)c(=O)[nH]c12 ZINC000000889209 209276262 /nfs/dbraw/zinc/27/62/62/209276262.db2.gz PWCFVASPDOWZIQ-IBGZPJMESA-N 1 2 378.480 3.123 40 0 GGABLO O=C(c1ccccc1)N1CC[NH+](C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000019913310 209182380 /nfs/dbraw/zinc/18/23/80/209182380.db2.gz BLDVNLYLYXLSLP-QFIPXVFZSA-N 1 2 390.483 3.038 40 0 GGABLO CCOC(=O)C1=C(C[NH+]2CCC(C)CC2)NC(=O)N[C@@H]1c1ccc(C)cc1C ZINC000028632086 209180003 /nfs/dbraw/zinc/18/00/03/209180003.db2.gz UNUKHAWJCVUVAK-HXUWFJFHSA-N 1 2 385.508 3.206 40 0 GGABLO COCCN1CCC[C@@]2(C[N@H+](Cc3ccc4c(c3)CCC4)CC(F)(F)C2)C1=O ZINC000306144115 212055959 /nfs/dbraw/zinc/05/59/59/212055959.db2.gz YWJLEHRFSUKULR-OAQYLSRUSA-N 1 2 392.490 3.272 40 0 GGABLO COCCN1CCC[C@@]2(C[N@@H+](Cc3ccc4c(c3)CCC4)CC(F)(F)C2)C1=O ZINC000306144115 212055961 /nfs/dbraw/zinc/05/59/61/212055961.db2.gz YWJLEHRFSUKULR-OAQYLSRUSA-N 1 2 392.490 3.272 40 0 GGABLO Cc1ccc(-c2ccc3c([C@@H]4CN(c5ccc(C)nn5)CC[N@H+]4C)nnn3c2)cc1 ZINC000306143890 212055651 /nfs/dbraw/zinc/05/56/51/212055651.db2.gz YPTNUUUOAWZSOJ-NRFANRHFSA-N 1 2 399.502 3.296 40 0 GGABLO Cc1ccc(-c2ccc3c([C@@H]4CN(c5ccc(C)nn5)CC[N@@H+]4C)nnn3c2)cc1 ZINC000306143890 212055654 /nfs/dbraw/zinc/05/56/54/212055654.db2.gz YPTNUUUOAWZSOJ-NRFANRHFSA-N 1 2 399.502 3.296 40 0 GGABLO COc1ccc(-c2c[nH+]c3n2CC2(C3)CCN(C(=O)c3ccccn3)CC2)cc1 ZINC000306141517 212054636 /nfs/dbraw/zinc/05/46/36/212054636.db2.gz VYXWOLHWEFQQCC-UHFFFAOYSA-N 1 2 388.471 3.432 40 0 GGABLO Fc1cccc(-c2cnc3c(N4CC[NH+](Cc5cccnc5)CC4)nccn23)c1 ZINC000306139272 212053757 /nfs/dbraw/zinc/05/37/57/212053757.db2.gz STRUQKMDSSQHQH-UHFFFAOYSA-N 1 2 388.450 3.253 40 0 GGABLO CCn1cc(C[N@@H+]2C[C@H]3c4cc(-c5ccsc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306138692 212053489 /nfs/dbraw/zinc/05/34/89/212053489.db2.gz SENQYRHRPUCNAF-AZUAARDMSA-N 1 2 399.541 3.387 40 0 GGABLO CCn1cc(C[N@H+]2C[C@H]3c4cc(-c5ccsc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306138692 212053493 /nfs/dbraw/zinc/05/34/93/212053493.db2.gz SENQYRHRPUCNAF-AZUAARDMSA-N 1 2 399.541 3.387 40 0 GGABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@@H]2C[N@H+](Cc3ccncc3)C[C@H]21 ZINC000306140940 212052411 /nfs/dbraw/zinc/05/24/11/212052411.db2.gz VHIUIIVMXVVIKV-AZUAARDMSA-N 1 2 395.459 3.038 40 0 GGABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@@H]2C[N@@H+](Cc3ccncc3)C[C@H]21 ZINC000306140940 212052417 /nfs/dbraw/zinc/05/24/17/212052417.db2.gz VHIUIIVMXVVIKV-AZUAARDMSA-N 1 2 395.459 3.038 40 0 GGABLO COc1ccc(-c2c[nH+]c3n2C[C@@H]2CN(C(=O)c4csc(C)n4)C[C@@H]2C3)cc1 ZINC000306134476 212051633 /nfs/dbraw/zinc/05/16/33/212051633.db2.gz NOXOCRXNDRHTRK-HOTGVXAUSA-N 1 2 394.500 3.268 40 0 GGABLO O=C(NCC1CC1)c1nc([C@H]2CCC[N@@H+]2Cc2ccccn2)n2ccccc12 ZINC000306135781 212050761 /nfs/dbraw/zinc/05/07/61/212050761.db2.gz PALVTUSBMXEJTO-LJQANCHMSA-N 1 2 375.476 3.206 40 0 GGABLO O=C(NCC1CC1)c1nc([C@H]2CCC[N@H+]2Cc2ccccn2)n2ccccc12 ZINC000306135781 212050765 /nfs/dbraw/zinc/05/07/65/212050765.db2.gz PALVTUSBMXEJTO-LJQANCHMSA-N 1 2 375.476 3.206 40 0 GGABLO c1cc(-c2cnc3c(N4CC[NH+](Cc5ccccn5)CC4)nccn23)cs1 ZINC000306136058 212050716 /nfs/dbraw/zinc/05/07/16/212050716.db2.gz PHQJSFWHEDMPQJ-UHFFFAOYSA-N 1 2 376.489 3.175 40 0 GGABLO CN1CC[N@H+](Cc2nccs2)C[C@@H]1c1cn2c(cccc2-c2ccncc2)n1 ZINC000306131030 212049091 /nfs/dbraw/zinc/04/90/91/212049091.db2.gz JVCZKMYWSVQBBM-LJQANCHMSA-N 1 2 390.516 3.342 40 0 GGABLO CN1CC[N@@H+](Cc2nccs2)C[C@@H]1c1cn2c(cccc2-c2ccncc2)n1 ZINC000306131030 212049094 /nfs/dbraw/zinc/04/90/94/212049094.db2.gz JVCZKMYWSVQBBM-LJQANCHMSA-N 1 2 390.516 3.342 40 0 GGABLO Cc1cccc(C[N@@H+]2C[C@H]3c4cc(-c5ccco5)ccc4S(=O)(=O)[C@@H]3C2)n1 ZINC000306132982 212048860 /nfs/dbraw/zinc/04/88/60/212048860.db2.gz LYDHDLUXHAMZRU-GHTZIAJQSA-N 1 2 380.469 3.405 40 0 GGABLO Cc1cccc(C[N@H+]2C[C@H]3c4cc(-c5ccco5)ccc4S(=O)(=O)[C@@H]3C2)n1 ZINC000306132982 212048865 /nfs/dbraw/zinc/04/88/65/212048865.db2.gz LYDHDLUXHAMZRU-GHTZIAJQSA-N 1 2 380.469 3.405 40 0 GGABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000306131673 212048613 /nfs/dbraw/zinc/04/86/13/212048613.db2.gz KLTKUVILFAWYII-QUCCMNQESA-N 1 2 395.459 3.038 40 0 GGABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000306131673 212048608 /nfs/dbraw/zinc/04/86/08/212048608.db2.gz KLTKUVILFAWYII-QUCCMNQESA-N 1 2 395.459 3.038 40 0 GGABLO CN1CC[N@H+](Cc2ccncc2)C[C@H]1c1nnn2cc(-c3ccsc3)ccc12 ZINC000306130440 212047883 /nfs/dbraw/zinc/04/78/83/212047883.db2.gz JGJSEJBLDPAEER-FQEVSTJZSA-N 1 2 390.516 3.342 40 0 GGABLO CN1CC[N@@H+](Cc2ccncc2)C[C@H]1c1nnn2cc(-c3ccsc3)ccc12 ZINC000306130440 212047886 /nfs/dbraw/zinc/04/78/86/212047886.db2.gz JGJSEJBLDPAEER-FQEVSTJZSA-N 1 2 390.516 3.342 40 0 GGABLO CC(C)n1cc(C[N@@H+]2C[C@H]3c4cc(-c5ccoc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306128909 212047678 /nfs/dbraw/zinc/04/76/78/212047678.db2.gz HOAYMLKNVKWDJB-PZJWPPBQSA-N 1 2 397.500 3.479 40 0 GGABLO CC(C)n1cc(C[N@H+]2C[C@H]3c4cc(-c5ccoc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306128909 212047682 /nfs/dbraw/zinc/04/76/82/212047682.db2.gz HOAYMLKNVKWDJB-PZJWPPBQSA-N 1 2 397.500 3.479 40 0 GGABLO C[N@@H+]1Cc2nnc(-c3cccs3)n2C2(CCN(C(=O)c3ccsc3)CC2)C1 ZINC000306128068 212047762 /nfs/dbraw/zinc/04/77/62/212047762.db2.gz GPFUOKRTDJHFJV-UHFFFAOYSA-N 1 2 399.545 3.145 40 0 GGABLO C[N@H+]1Cc2nnc(-c3cccs3)n2C2(CCN(C(=O)c3ccsc3)CC2)C1 ZINC000306128068 212047764 /nfs/dbraw/zinc/04/77/64/212047764.db2.gz GPFUOKRTDJHFJV-UHFFFAOYSA-N 1 2 399.545 3.145 40 0 GGABLO Cn1nccc1C(=O)N1CCC2(CCc3[nH+]cc(-c4ccsc4)n3C2)CC1 ZINC000306128722 212047386 /nfs/dbraw/zinc/04/73/86/212047386.db2.gz HIZLMHFHSLEALV-UHFFFAOYSA-N 1 2 381.505 3.214 40 0 GGABLO CN(C)c1cccc(C(=O)N2C[C@H]3CCn4c(-c5ccncc5)c[nH+]c4[C@@H]3C2)c1 ZINC000306124872 212044950 /nfs/dbraw/zinc/04/49/50/212044950.db2.gz CBDPQWBLXMVURZ-UYAOXDASSA-N 1 2 387.487 3.271 40 0 GGABLO Cc1nn(C)cc1C[N@H+]1CCO[C@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000257325846 212025375 /nfs/dbraw/zinc/02/53/75/212025375.db2.gz WURKWKYTUZJPDA-QFIPXVFZSA-N 1 2 380.467 3.427 40 0 GGABLO C[C@@H](COc1ccccc1)Nc1cc(-c2c3c(nn2C)CCCC3)[nH+]c(N)n1 ZINC000257324680 212025477 /nfs/dbraw/zinc/02/54/77/212025477.db2.gz WPRKDQQIUCOJMW-AWEZNQCLSA-N 1 2 378.480 3.218 40 0 GGABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000257325846 212025371 /nfs/dbraw/zinc/02/53/71/212025371.db2.gz WURKWKYTUZJPDA-QFIPXVFZSA-N 1 2 380.467 3.427 40 0 GGABLO Cc1nc(Nc2cccc([C@@H]3C[N@H+](Cc4cnn(C)c4)CCO3)n2)sc1C ZINC000257332594 212026418 /nfs/dbraw/zinc/02/64/18/212026418.db2.gz XXYRZYJALGAOBX-KRWDZBQOSA-N 1 2 384.509 3.206 40 0 GGABLO Cc1nc(Nc2cccc([C@@H]3C[N@@H+](Cc4cnn(C)c4)CCO3)n2)sc1C ZINC000257332594 212026422 /nfs/dbraw/zinc/02/64/22/212026422.db2.gz XXYRZYJALGAOBX-KRWDZBQOSA-N 1 2 384.509 3.206 40 0 GGABLO CO[C@H]1C[N@H+](CC(=O)Nc2nc3ccc(Cl)cc3s2)CC[C@@]12CCCO2 ZINC000257309361 212022506 /nfs/dbraw/zinc/02/25/06/212022506.db2.gz UAQHXHRATRRKHT-YJBOKZPZSA-N 1 2 395.912 3.158 40 0 GGABLO CO[C@H]1C[N@@H+](CC(=O)Nc2nc3ccc(Cl)cc3s2)CC[C@@]12CCCO2 ZINC000257309361 212022508 /nfs/dbraw/zinc/02/25/08/212022508.db2.gz UAQHXHRATRRKHT-YJBOKZPZSA-N 1 2 395.912 3.158 40 0 GGABLO CO[C@@H]1CC[N@H+](CC(=O)Nc2nc3ccc(Cl)cc3s2)C[C@@]12CCCO2 ZINC000257310969 212022446 /nfs/dbraw/zinc/02/24/46/212022446.db2.gz UHJKWQKLVROBRP-QAPCUYQASA-N 1 2 395.912 3.158 40 0 GGABLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2nc3ccc(Cl)cc3s2)C[C@@]12CCCO2 ZINC000257310969 212022448 /nfs/dbraw/zinc/02/24/48/212022448.db2.gz UHJKWQKLVROBRP-QAPCUYQASA-N 1 2 395.912 3.158 40 0 GGABLO Cc1[nH+]cc(-c2cncc(C[C@H]3CCCN(C(=O)c4cccc(F)c4)C3)n2)n1C ZINC000257310719 212021961 /nfs/dbraw/zinc/02/19/61/212021961.db2.gz UGFWBAHGZOVSRI-MRXNPFEDSA-N 1 2 393.466 3.420 40 0 GGABLO CO[C@@H]1CC[N@H+](CC(=O)Nc2nc3ccc(Cl)cc3s2)C[C@]12CCCO2 ZINC000257310967 212021785 /nfs/dbraw/zinc/02/17/85/212021785.db2.gz UHJKWQKLVROBRP-CRAIPNDOSA-N 1 2 395.912 3.158 40 0 GGABLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2nc3ccc(Cl)cc3s2)C[C@]12CCCO2 ZINC000257310967 212021788 /nfs/dbraw/zinc/02/17/88/212021788.db2.gz UHJKWQKLVROBRP-CRAIPNDOSA-N 1 2 395.912 3.158 40 0 GGABLO Cc1[nH+]cc(-c2nccnc2C2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1C ZINC000257292052 212018630 /nfs/dbraw/zinc/01/86/30/212018630.db2.gz QJTHJPDWSWZUMS-UHFFFAOYSA-N 1 2 393.466 3.273 40 0 GGABLO Cc1[nH+]cc(-c2ccc(C[C@H]3CCCN(C(=O)c4ccccn4)C3)cn2)n1C ZINC000257286159 212017761 /nfs/dbraw/zinc/01/77/61/212017761.db2.gz PKNPEOUQXXJZMA-GOSISDBHSA-N 1 2 375.476 3.280 40 0 GGABLO Cc1noc(C)c1-c1ccc([C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)nc1 ZINC000257293454 212017566 /nfs/dbraw/zinc/01/75/66/212017566.db2.gz QPMGWQPVZIFIRR-SFHVURJKSA-N 1 2 379.464 3.346 40 0 GGABLO NC(=O)[C@]1(c2ccccn2)CCC[N@@H+]1Cc1ccccc1OCc1ccccn1 ZINC000257293699 212017646 /nfs/dbraw/zinc/01/76/46/212017646.db2.gz QQTMXPKRZPZWSJ-HSZRJFAPSA-N 1 2 388.471 3.032 40 0 GGABLO NC(=O)[C@]1(c2ccccn2)CCC[N@H+]1Cc1ccccc1OCc1ccccn1 ZINC000257293699 212017649 /nfs/dbraw/zinc/01/76/49/212017649.db2.gz QQTMXPKRZPZWSJ-HSZRJFAPSA-N 1 2 388.471 3.032 40 0 GGABLO Cc1[nH+]cc(-c2nccnc2[C@H]2CCCN(C(=O)c3ccccc3F)C2)n1C ZINC000257285883 212017348 /nfs/dbraw/zinc/01/73/48/212017348.db2.gz PJHVCORSTJAUNO-HNNXBMFYSA-N 1 2 379.439 3.344 40 0 GGABLO CC(=O)c1ccc(NC(=S)N2CC[NH+](Cc3cccc4c3OCO4)CC2)cc1 ZINC000025142996 209175125 /nfs/dbraw/zinc/17/51/25/209175125.db2.gz UHTBQHURRDIQBE-UHFFFAOYSA-N 1 2 397.500 3.133 40 0 GGABLO Cc1cc(CC2CCN(C(=O)C(C)(C)NC(=O)Cc3ccccc3)CC2)cc[nH+]1 ZINC000257267977 212013978 /nfs/dbraw/zinc/01/39/78/212013978.db2.gz MJTGUGCPJIPQDQ-UHFFFAOYSA-N 1 2 393.531 3.309 40 0 GGABLO Cc1[nH+]cc(-c2cncc(C[C@@H]3CCCN(C(=O)c4ccccc4)C3)n2)n1C ZINC000257262617 212013382 /nfs/dbraw/zinc/01/33/82/212013382.db2.gz LMCQGGLGSRQTGJ-KRWDZBQOSA-N 1 2 375.476 3.280 40 0 GGABLO CN(C)C(=O)c1sc2nc([C@H]3CCC[N@@H+]3Cc3cscn3)ccc2c1N ZINC000257259613 212013250 /nfs/dbraw/zinc/01/32/50/212013250.db2.gz KZCLESPLKOITOA-CQSZACIVSA-N 1 2 387.534 3.374 40 0 GGABLO CN(C)C(=O)c1sc2nc([C@H]3CCC[N@H+]3Cc3cscn3)ccc2c1N ZINC000257259613 212013255 /nfs/dbraw/zinc/01/32/55/212013255.db2.gz KZCLESPLKOITOA-CQSZACIVSA-N 1 2 387.534 3.374 40 0 GGABLO CC(=O)N1CC[C@H](c2n[nH]cc2-c2cc[nH+]c(NCc3cnc(C)s3)c2)C1 ZINC000257256806 212012820 /nfs/dbraw/zinc/01/28/20/212012820.db2.gz KMZVQRUXBBMFKC-HNNXBMFYSA-N 1 2 382.493 3.185 40 0 GGABLO Cc1nc([C@]2(C)CCC[N@H+](Cc3cscn3)C2)nc2c1CC(=O)N2C(C)C ZINC000257263968 212012291 /nfs/dbraw/zinc/01/22/91/212012291.db2.gz LSHQKEHJTPFDCH-HXUWFJFHSA-N 1 2 385.537 3.093 40 0 GGABLO Cc1nc([C@]2(C)CCC[N@@H+](Cc3cscn3)C2)nc2c1CC(=O)N2C(C)C ZINC000257263968 212012293 /nfs/dbraw/zinc/01/22/93/212012293.db2.gz LSHQKEHJTPFDCH-HXUWFJFHSA-N 1 2 385.537 3.093 40 0 GGABLO COc1ccccc1-c1cccc(C[C@]2(C(=O)NCc3[nH]cc[nH+]3)CCCO2)c1 ZINC000257261028 212012374 /nfs/dbraw/zinc/01/23/74/212012374.db2.gz LFLNWZUQAJWWOH-QHCPKHFHSA-N 1 2 391.471 3.493 40 0 GGABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000257239710 212009168 /nfs/dbraw/zinc/00/91/68/212009168.db2.gz HQLBYEPJHNREQH-QFIPXVFZSA-N 1 2 380.467 3.427 40 0 GGABLO Cc1nn(C)cc1C[N@H+]1CCO[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000257239710 212009173 /nfs/dbraw/zinc/00/91/73/212009173.db2.gz HQLBYEPJHNREQH-QFIPXVFZSA-N 1 2 380.467 3.427 40 0 GGABLO Cc1c(C[N@@H+]2CCO[C@H](c3cccc(Cc4ccccc4F)n3)C2)cnn1C ZINC000257229999 212007429 /nfs/dbraw/zinc/00/74/29/212007429.db2.gz GAHNJUFWNZIRHK-QFIPXVFZSA-N 1 2 380.467 3.427 40 0 GGABLO Cc1c(C[N@H+]2CCO[C@H](c3cccc(Cc4ccccc4F)n3)C2)cnn1C ZINC000257229999 212007431 /nfs/dbraw/zinc/00/74/31/212007431.db2.gz GAHNJUFWNZIRHK-QFIPXVFZSA-N 1 2 380.467 3.427 40 0 GGABLO CC1(C)Oc2ccccc2[C@H]2OCC3(CN(C(=O)CCn4cc[nH+]c4)C3)C[C@@H]21 ZINC000257227936 212007140 /nfs/dbraw/zinc/00/71/40/212007140.db2.gz FRPQDDLCXIOEAH-FXAWDEMLSA-N 1 2 381.476 3.051 40 0 GGABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3cccc(Nc4nc(C)cs4)n3)C2)cn1 ZINC000257214486 212006080 /nfs/dbraw/zinc/00/60/80/212006080.db2.gz CMDYUEKUUUCSOI-QGZVFWFLSA-N 1 2 384.509 3.380 40 0 GGABLO CCn1cc(C[N@H+]2CCO[C@@H](c3cccc(Nc4nc(C)cs4)n3)C2)cn1 ZINC000257214486 212006083 /nfs/dbraw/zinc/00/60/83/212006083.db2.gz CMDYUEKUUUCSOI-QGZVFWFLSA-N 1 2 384.509 3.380 40 0 GGABLO Cc1ncsc1C(=O)N1CCC(Cc2nccnc2-c2c[nH+]c(C)n2C)CC1 ZINC000257213853 212004072 /nfs/dbraw/zinc/00/40/72/212004072.db2.gz CJIKRALODCFLTC-UHFFFAOYSA-N 1 2 396.520 3.045 40 0 GGABLO Cc1[nH+]cc(-c2ccc(C[C@@H]3CCCN(C(=O)c4ccncc4)C3)cn2)n1C ZINC000257210333 212003372 /nfs/dbraw/zinc/00/33/72/212003372.db2.gz BUDXHJAFFIAUCZ-SFHVURJKSA-N 1 2 375.476 3.280 40 0 GGABLO Cc1nc(N2CCC[C@H](c3c4cccnc4sc3C(=O)N(C)C)C2)cc[nH+]1 ZINC000257200290 212001443 /nfs/dbraw/zinc/00/14/43/212001443.db2.gz ACTRDVJBEXNVDP-AWEZNQCLSA-N 1 2 381.505 3.481 40 0 GGABLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc2c(c1)NC(=O)CCS2 ZINC000030219167 211922353 /nfs/dbraw/zinc/92/23/53/211922353.db2.gz WSLDKBAFRXOGBL-UHFFFAOYSA-N 1 2 392.484 3.296 40 0 GGABLO CCOC1(C(=O)Nc2ccc(OCC[NH+]3CCOCC3)cc2)CCC(C)CC1 ZINC000225720203 211920834 /nfs/dbraw/zinc/92/08/34/211920834.db2.gz VOKVBIUOWCKERL-UHFFFAOYSA-N 1 2 390.524 3.322 40 0 GGABLO O=C(Nc1cn(-c2ccccc2)nc1-c1ccccc1)OCC[NH+]1CCOCC1 ZINC000027755002 211856957 /nfs/dbraw/zinc/85/69/57/211856957.db2.gz ZNLVBBSNZCWXGQ-UHFFFAOYSA-N 1 2 392.459 3.420 40 0 GGABLO CCOC(=O)C1=C(C)N(C2CC2)C(=S)N[C@H]1c1ccc(-n2cc[nH+]c2)cc1 ZINC000025071240 211800210 /nfs/dbraw/zinc/80/02/10/211800210.db2.gz NGFZDLMMGCKIST-SFHVURJKSA-N 1 2 382.489 3.103 40 0 GGABLO CCc1ccccc1NC(=O)C[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000004909512 211556610 /nfs/dbraw/zinc/55/66/10/211556610.db2.gz OVUMDUMCIBRFKB-UHFFFAOYSA-N 1 2 386.540 3.284 40 0 GGABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[NH+]3CCCC3)cc2c1 ZINC000000889881 211493715 /nfs/dbraw/zinc/49/37/15/211493715.db2.gz ACGJCFSLDJMKSJ-HXUWFJFHSA-N 1 2 392.507 3.432 40 0 GGABLO Cc1cc(C)cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@@H]3C(=O)c2ccccc2)c1 ZINC000101246723 211397133 /nfs/dbraw/zinc/39/71/33/211397133.db2.gz RXFYHRRDRDQGTJ-NCYKPQTJSA-N 1 2 388.467 3.139 40 0 GGABLO Cc1cc(C)cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@H+]2[C@@H]3C(=O)c2ccccc2)c1 ZINC000101246723 211397136 /nfs/dbraw/zinc/39/71/36/211397136.db2.gz RXFYHRRDRDQGTJ-NCYKPQTJSA-N 1 2 388.467 3.139 40 0 GGABLO Cc1cc(C[N@H+]2CC[C@@]3(C2)c2ccccc2S(=O)(=O)N3CCC(C)C)no1 ZINC000096262002 211325928 /nfs/dbraw/zinc/32/59/28/211325928.db2.gz SXBLZTPVMQXRCK-HXUWFJFHSA-N 1 2 389.521 3.135 40 0 GGABLO Cc1cc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2S(=O)(=O)N3CCC(C)C)no1 ZINC000096262002 211325932 /nfs/dbraw/zinc/32/59/32/211325932.db2.gz SXBLZTPVMQXRCK-HXUWFJFHSA-N 1 2 389.521 3.135 40 0 GGABLO Cn1c[nH+]c2c1[C@@H](C(=O)NCCc1cccc(F)c1)N(Cc1ccccc1)CC2 ZINC000096147171 211310098 /nfs/dbraw/zinc/31/00/98/211310098.db2.gz MZHDTGBPOSPJKY-QFIPXVFZSA-N 1 2 392.478 3.018 40 0 GGABLO COc1cccc(C(=O)N2CCc3[nH+]c(N4CCCC4)nc(NC(C)C)c3C2)c1 ZINC000096254260 211324537 /nfs/dbraw/zinc/32/45/37/211324537.db2.gz YEHNDMXNYHJOFX-UHFFFAOYSA-N 1 2 395.507 3.104 40 0 GGABLO O=S(=O)(c1ccccc1)N1C[C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)[C@@H]2C1 ZINC000096080474 211299948 /nfs/dbraw/zinc/29/99/48/211299948.db2.gz SEVGPOIDTPYZCU-CRAIPNDOSA-N 1 2 396.434 3.210 40 0 GGABLO O=S(=O)(c1ccccc1)N1C[C@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)[C@@H]2C1 ZINC000096080474 211299952 /nfs/dbraw/zinc/29/99/52/211299952.db2.gz SEVGPOIDTPYZCU-CRAIPNDOSA-N 1 2 396.434 3.210 40 0 GGABLO C[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1ccco1)CC2 ZINC000096036989 211296677 /nfs/dbraw/zinc/29/66/77/211296677.db2.gz GBEKGUIARZVBBQ-UHFFFAOYSA-N 1 2 376.460 3.220 40 0 GGABLO C[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1ccco1)CC2 ZINC000096036989 211296681 /nfs/dbraw/zinc/29/66/81/211296681.db2.gz GBEKGUIARZVBBQ-UHFFFAOYSA-N 1 2 376.460 3.220 40 0 GGABLO CC(C)CCN1[C@@]2(CC[N@H+](Cc3nccs3)C2)c2ccccc2S1(=O)=O ZINC000096035960 211294304 /nfs/dbraw/zinc/29/43/04/211294304.db2.gz IVCRZRLKWKZUSR-LJQANCHMSA-N 1 2 391.562 3.295 40 0 GGABLO CC(C)CCN1[C@@]2(CC[N@@H+](Cc3nccs3)C2)c2ccccc2S1(=O)=O ZINC000096035960 211294308 /nfs/dbraw/zinc/29/43/08/211294308.db2.gz IVCRZRLKWKZUSR-LJQANCHMSA-N 1 2 391.562 3.295 40 0 GGABLO CC(C)CC(=O)N1CCC2(CC1)c1ncc(-c3cccc(F)c3)n1CC[N@H+]2C ZINC000096144947 211307912 /nfs/dbraw/zinc/30/79/12/211307912.db2.gz PMFDFZSREKONSD-UHFFFAOYSA-N 1 2 384.499 3.498 40 0 GGABLO CC(C)CC(=O)N1CCC2(CC1)c1ncc(-c3cccc(F)c3)n1CC[N@@H+]2C ZINC000096144947 211307917 /nfs/dbraw/zinc/30/79/17/211307917.db2.gz PMFDFZSREKONSD-UHFFFAOYSA-N 1 2 384.499 3.498 40 0 GGABLO CCOC(=O)c1sc2ncn(Cc3[nH+]cc(C)c(OC)c3C)c(=O)c2c1C ZINC000079306560 211156219 /nfs/dbraw/zinc/15/62/19/211156219.db2.gz CJUXZTUHRRGWMS-UHFFFAOYSA-N 1 2 387.461 3.012 40 0 GGABLO Cc1cccc2[nH+]c(CNS(=O)(=O)c3cc4c(c(Cl)c3)O[C@@H](C)C4)cn21 ZINC000084234381 211167456 /nfs/dbraw/zinc/16/74/56/211167456.db2.gz DFFYVSQPGKSTGF-LBPRGKRZSA-N 1 2 391.880 3.098 40 0 GGABLO CC(=O)Nc1ccc(Oc2nccnc2[C@@H]2CCC[N@H+](Cc3ncc[nH]3)C2)cc1 ZINC000072362994 211103493 /nfs/dbraw/zinc/10/34/93/211103493.db2.gz MSYKQUIBMAANTB-MRXNPFEDSA-N 1 2 392.463 3.330 40 0 GGABLO CC(=O)Nc1ccc(Oc2nccnc2[C@@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)cc1 ZINC000072362994 211103498 /nfs/dbraw/zinc/10/34/98/211103498.db2.gz MSYKQUIBMAANTB-MRXNPFEDSA-N 1 2 392.463 3.330 40 0 GGABLO CC(=O)Nc1ccc(Oc2nccnc2[C@@H]2CCCN(Cc3[nH]cc[nH+]3)C2)cc1 ZINC000072362994 211103500 /nfs/dbraw/zinc/10/35/00/211103500.db2.gz MSYKQUIBMAANTB-MRXNPFEDSA-N 1 2 392.463 3.330 40 0 GGABLO CNc1nc([C@H]2CCCN(C(=O)CC3CCCCC3)C2)nc2c1C[N@H+](C)CC2 ZINC000072372179 211102497 /nfs/dbraw/zinc/10/24/97/211102497.db2.gz HNFXQBDGMUDHMG-KRWDZBQOSA-N 1 2 385.556 3.183 40 0 GGABLO CNc1nc([C@H]2CCCN(C(=O)CC3CCCCC3)C2)nc2c1C[N@@H+](C)CC2 ZINC000072372179 211102499 /nfs/dbraw/zinc/10/24/99/211102499.db2.gz HNFXQBDGMUDHMG-KRWDZBQOSA-N 1 2 385.556 3.183 40 0 GGABLO O=C(Cc1ccc2c(c1)CCCO2)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000072392114 211110641 /nfs/dbraw/zinc/11/06/41/211110641.db2.gz APECEJSXRULYIK-UHFFFAOYSA-N 1 2 377.444 3.468 40 0 GGABLO C[C@]12C[N@H+](Cc3ccccc3OC(F)F)C[C@H]1NC(=O)c1ccccc1C2=O ZINC000072395033 211109251 /nfs/dbraw/zinc/10/92/51/211109251.db2.gz QGWYGYNGDQMEER-UTKZUKDTSA-N 1 2 386.398 3.105 40 0 GGABLO C[C@]12C[N@@H+](Cc3ccccc3OC(F)F)C[C@H]1NC(=O)c1ccccc1C2=O ZINC000072395033 211109256 /nfs/dbraw/zinc/10/92/56/211109256.db2.gz QGWYGYNGDQMEER-UTKZUKDTSA-N 1 2 386.398 3.105 40 0 GGABLO Cc1oc2c(c1C(=O)Nc1cccc(OCC[NH+]3CCOCC3)c1)CCCC2 ZINC000072392183 211109095 /nfs/dbraw/zinc/10/90/95/211109095.db2.gz ZCPVNKVZEXRZSM-UHFFFAOYSA-N 1 2 384.476 3.430 40 0 GGABLO CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)c3cnccn3)C2)n1 ZINC000072379183 211107283 /nfs/dbraw/zinc/10/72/83/211107283.db2.gz MHQYSWVEYXWKQB-MRXNPFEDSA-N 1 2 376.464 3.201 40 0 GGABLO CCc1nnc(Nc2cc(C)nc([C@H]3CC[N@H+](Cc4cccnc4)C3)n2)s1 ZINC000072382460 211107454 /nfs/dbraw/zinc/10/74/54/211107454.db2.gz HRMOQAXHRJZQHD-HNNXBMFYSA-N 1 2 381.509 3.327 40 0 GGABLO CCc1nnc(Nc2cc(C)nc([C@H]3CC[N@@H+](Cc4cccnc4)C3)n2)s1 ZINC000072382460 211107460 /nfs/dbraw/zinc/10/74/60/211107460.db2.gz HRMOQAXHRJZQHD-HNNXBMFYSA-N 1 2 381.509 3.327 40 0 GGABLO CC(C)c1[nH+]ccn1-c1cncc([C@H]2CCCN2C(=O)Cc2ccncc2)n1 ZINC000072378550 211106117 /nfs/dbraw/zinc/10/61/17/211106117.db2.gz JGSZJGDBUSTCBJ-GOSISDBHSA-N 1 2 376.464 3.087 40 0 GGABLO Nc1ncc(-c2ccccc2)c([C@H]2CCCC[N@@H+]2CC(=O)Nc2nccs2)n1 ZINC000072376866 211105284 /nfs/dbraw/zinc/10/52/84/211105284.db2.gz RJFMQLYWOLIPIT-MRXNPFEDSA-N 1 2 394.504 3.348 40 0 GGABLO Nc1ncc(-c2ccccc2)c([C@H]2CCCC[N@H+]2CC(=O)Nc2nccs2)n1 ZINC000072376866 211105288 /nfs/dbraw/zinc/10/52/88/211105288.db2.gz RJFMQLYWOLIPIT-MRXNPFEDSA-N 1 2 394.504 3.348 40 0 GGABLO COCC[N@@H+]1CCCC[C@@H]1c1ncc(C(=O)Nc2ccccc2OC)c(C)n1 ZINC000072346292 211094681 /nfs/dbraw/zinc/09/46/81/211094681.db2.gz MNIVMIRNACDWAD-GOSISDBHSA-N 1 2 384.480 3.219 40 0 GGABLO COCC[N@H+]1CCCC[C@@H]1c1ncc(C(=O)Nc2ccccc2OC)c(C)n1 ZINC000072346292 211094684 /nfs/dbraw/zinc/09/46/84/211094684.db2.gz MNIVMIRNACDWAD-GOSISDBHSA-N 1 2 384.480 3.219 40 0 GGABLO Cc1nc([C@H]2CCCC[N@@H+]2CCOc2ccc(F)cc2)ncc1C(=O)N(C)C ZINC000072345476 211094557 /nfs/dbraw/zinc/09/45/57/211094557.db2.gz VNUPGKNECYLRTC-LJQANCHMSA-N 1 2 386.471 3.232 40 0 GGABLO Cc1nc([C@H]2CCCC[N@H+]2CCOc2ccc(F)cc2)ncc1C(=O)N(C)C ZINC000072345476 211094562 /nfs/dbraw/zinc/09/45/62/211094562.db2.gz VNUPGKNECYLRTC-LJQANCHMSA-N 1 2 386.471 3.232 40 0 GGABLO COC(=O)C[NH+]1CCC(Oc2ncnc3c2c(C)c(C)n3C2CCCC2)CC1 ZINC000072336023 211092984 /nfs/dbraw/zinc/09/29/84/211092984.db2.gz QPDOEEVBEQISIK-UHFFFAOYSA-N 1 2 386.496 3.179 40 0 GGABLO CCc1nnc(Nc2cc([C@@H]3CCC[N@@H+]3Cc3cnn(C)c3)nc(C)n2)s1 ZINC000072360353 211100589 /nfs/dbraw/zinc/10/05/89/211100589.db2.gz GWPOSBZGDWNWAY-HNNXBMFYSA-N 1 2 384.513 3.013 40 0 GGABLO CCc1nnc(Nc2cc([C@@H]3CCC[N@H+]3Cc3cnn(C)c3)nc(C)n2)s1 ZINC000072360353 211100593 /nfs/dbraw/zinc/10/05/93/211100593.db2.gz GWPOSBZGDWNWAY-HNNXBMFYSA-N 1 2 384.513 3.013 40 0 GGABLO COc1ccccc1Oc1cncc([C@@H]2CCC[N@H+](Cc3nccn3C)C2)n1 ZINC000072362783 211100032 /nfs/dbraw/zinc/10/00/32/211100032.db2.gz SPBZNPSOEFILDE-MRXNPFEDSA-N 1 2 379.464 3.391 40 0 GGABLO COc1ccccc1Oc1cncc([C@@H]2CCC[N@@H+](Cc3nccn3C)C2)n1 ZINC000072362783 211100038 /nfs/dbraw/zinc/10/00/38/211100038.db2.gz SPBZNPSOEFILDE-MRXNPFEDSA-N 1 2 379.464 3.391 40 0 GGABLO Nc1cc(-c2c[nH]nc2[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)cc[nH+]1 ZINC000072357459 211099547 /nfs/dbraw/zinc/09/95/47/211099547.db2.gz WZXAIKPSLZCLPY-KRWDZBQOSA-N 1 2 391.475 3.229 40 0 GGABLO CCc1[nH+]ccn1-c1cncc([C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)n1 ZINC000072355366 211099408 /nfs/dbraw/zinc/09/94/08/211099408.db2.gz IECULNLGWYTXOM-KRWDZBQOSA-N 1 2 393.466 3.313 40 0 GGABLO O=C(CCc1ccc(F)cc1)N1CCC[C@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000072355636 211099105 /nfs/dbraw/zinc/09/91/05/211099105.db2.gz YKQXTLIOJDRHOD-KRWDZBQOSA-N 1 2 379.439 3.140 40 0 GGABLO CCc1[nH+]ccn1-c1cncc(C2CCN(C(=O)Cc3ccccc3)CC2)n1 ZINC000072355353 211098875 /nfs/dbraw/zinc/09/88/75/211098875.db2.gz VILKFMMATXBPSL-UHFFFAOYSA-N 1 2 375.476 3.173 40 0 GGABLO CCc1[nH+]ccn1-c1cncc(C2CCN(C(=O)c3ccc(F)cc3)CC2)n1 ZINC000072355324 211098894 /nfs/dbraw/zinc/09/88/94/211098894.db2.gz AWUQONLLPJHTIL-UHFFFAOYSA-N 1 2 379.439 3.384 40 0 GGABLO Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCC[N@@H+]2CC(=O)Nc2nccs2)n1 ZINC000072354671 211098394 /nfs/dbraw/zinc/09/83/94/211098394.db2.gz MDKCMZCUPUKNHY-OAHLLOKOSA-N 1 2 398.467 3.097 40 0 GGABLO Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCC[N@H+]2CC(=O)Nc2nccs2)n1 ZINC000072354671 211098396 /nfs/dbraw/zinc/09/83/96/211098396.db2.gz MDKCMZCUPUKNHY-OAHLLOKOSA-N 1 2 398.467 3.097 40 0 GGABLO O=C(CCc1ccc(F)cc1)N1CCC[C@@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000072355637 211098348 /nfs/dbraw/zinc/09/83/48/211098348.db2.gz YKQXTLIOJDRHOD-QGZVFWFLSA-N 1 2 379.439 3.140 40 0 GGABLO O=C(CCCc1ccccc1)N1CCC(c2nccnc2-n2cc[nH+]c2)CC1 ZINC000072350689 211096904 /nfs/dbraw/zinc/09/69/04/211096904.db2.gz VORVBUMEBHVXCQ-UHFFFAOYSA-N 1 2 375.476 3.391 40 0 GGABLO COc1ccc(CNC(=O)[C@@H]2CCCN(c3[nH+]c4ccccc4n3C)C2)cc1 ZINC000072347665 211095969 /nfs/dbraw/zinc/09/59/69/211095969.db2.gz DSXZZHZLWRZYEB-QGZVFWFLSA-N 1 2 378.476 3.115 40 0 GGABLO CC[NH+]1CCN(C(=O)[C@H](C)Sc2nn(-c3ccccc3)c(=S)s2)CC1 ZINC000021128470 210378397 /nfs/dbraw/zinc/37/83/97/210378397.db2.gz FJZQGMJBXPTVDR-ZDUSSCGKSA-N 1 2 394.591 3.308 40 0 GGABLO FC(F)(F)c1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3c[nH+]c[nH]3)n2)cc1 ZINC000067898587 210343777 /nfs/dbraw/zinc/34/37/77/210343777.db2.gz ZVNHLOGZNAGZJE-INIZCTEOSA-N 1 2 377.370 3.392 40 0 biogenic,in-vitro GGABLO FC(F)(F)c1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3c[nH]c[nH+]3)n2)cc1 ZINC000067898587 210343782 /nfs/dbraw/zinc/34/37/82/210343782.db2.gz ZVNHLOGZNAGZJE-INIZCTEOSA-N 1 2 377.370 3.392 40 0 biogenic,in-vitro GGABLO COc1ccc([C@@H](C)NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1OC ZINC000020482521 210339661 /nfs/dbraw/zinc/33/96/61/210339661.db2.gz JPAQMJLLLNTPRF-MRXNPFEDSA-N 1 2 384.476 3.027 40 0 GGABLO O=C(c1cc(CC2([NH2+]Cc3ccccc3Cl)COC2)no1)N1CCCCC1 ZINC000067898483 210339434 /nfs/dbraw/zinc/33/94/34/210339434.db2.gz BNTUCUWOSGIZBU-UHFFFAOYSA-N 1 2 389.883 3.055 40 0 biogenic,in-vitro GGABLO COc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1OC ZINC000020460935 210337847 /nfs/dbraw/zinc/33/78/47/210337847.db2.gz FNKNPESFFZPPCK-INIZCTEOSA-N 1 2 384.476 3.027 40 0 GGABLO CCc1ccccc1O[C@H](C)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020453677 210335878 /nfs/dbraw/zinc/33/58/78/210335878.db2.gz YPUPSGCGVPFVRG-QGZVFWFLSA-N 1 2 396.487 3.089 40 0 GGABLO COc1ccc(/C=C/C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c(OC)c1OC ZINC000020108551 210316336 /nfs/dbraw/zinc/31/63/36/210316336.db2.gz YVZXZBCYYQIUCR-YRNVUSSQSA-N 1 2 393.443 3.228 40 0 GGABLO O=S(=O)(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Br)s1 ZINC000020104411 210316139 /nfs/dbraw/zinc/31/61/39/210316139.db2.gz CXPHNCUWZAEMLO-UHFFFAOYSA-N 1 2 398.307 3.175 40 0 GGABLO CC[C@H](Oc1cccc(C)c1)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020041513 210312360 /nfs/dbraw/zinc/31/23/60/210312360.db2.gz YYGFMBZCLNFURN-FQEVSTJZSA-N 1 2 396.487 3.226 40 0 GGABLO Cc1ncc(C[N@@H+]2CCO[C@@H](c3cc(C(=O)N(C)C)c4ccccc4n3)C2)s1 ZINC000019762249 210296421 /nfs/dbraw/zinc/29/64/21/210296421.db2.gz NNLPUMQAUYICMJ-HXUWFJFHSA-N 1 2 396.516 3.275 40 0 GGABLO Cc1ncc(C[N@H+]2CCO[C@@H](c3cc(C(=O)N(C)C)c4ccccc4n3)C2)s1 ZINC000019762249 210296428 /nfs/dbraw/zinc/29/64/28/210296428.db2.gz NNLPUMQAUYICMJ-HXUWFJFHSA-N 1 2 396.516 3.275 40 0 GGABLO Cc1cc2[nH]c(CCNC(=O)c3cccc(N4CCOCC4)c3C)[nH+]c2cc1C ZINC000019716176 210287698 /nfs/dbraw/zinc/28/76/98/210287698.db2.gz OTHNMWSZEUOBNC-UHFFFAOYSA-N 1 2 392.503 3.297 40 0 GGABLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 ZINC000019715554 210286705 /nfs/dbraw/zinc/28/67/05/210286705.db2.gz NFJCKRVSQYTFOH-INIZCTEOSA-N 1 2 399.516 3.120 40 0 GGABLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 ZINC000019715554 210286709 /nfs/dbraw/zinc/28/67/09/210286709.db2.gz NFJCKRVSQYTFOH-INIZCTEOSA-N 1 2 399.516 3.120 40 0 GGABLO Cc1cc(-c2cncnc2)cc(C2CC[NH+](CC(=O)Nc3nccs3)CC2)n1 ZINC000019692204 210282022 /nfs/dbraw/zinc/28/20/22/210282022.db2.gz DKELRZXUTMFMRY-UHFFFAOYSA-N 1 2 394.504 3.122 40 0 GGABLO C[N@@H+]1CCc2nc(NC(=O)c3ccc4[nH]c(C(F)(F)F)nc4c3)sc2C1 ZINC000019654751 210278205 /nfs/dbraw/zinc/27/82/05/210278205.db2.gz NRAPFUBEJWWFQF-UHFFFAOYSA-N 1 2 381.383 3.278 40 0 GGABLO C[N@H+]1CCc2nc(NC(=O)c3ccc4[nH]c(C(F)(F)F)nc4c3)sc2C1 ZINC000019654751 210278208 /nfs/dbraw/zinc/27/82/08/210278208.db2.gz NRAPFUBEJWWFQF-UHFFFAOYSA-N 1 2 381.383 3.278 40 0 GGABLO O=C(C[N@@H+]1CCC[C@@H]1Cn1cccn1)Nc1ncc(Cc2ccccc2F)s1 ZINC000019658955 210278019 /nfs/dbraw/zinc/27/80/19/210278019.db2.gz ZQXXGZKMROXEBX-MRXNPFEDSA-N 1 2 399.495 3.173 40 0 GGABLO O=C(C[N@H+]1CCC[C@@H]1Cn1cccn1)Nc1ncc(Cc2ccccc2F)s1 ZINC000019658955 210278022 /nfs/dbraw/zinc/27/80/22/210278022.db2.gz ZQXXGZKMROXEBX-MRXNPFEDSA-N 1 2 399.495 3.173 40 0 GGABLO Cc1nc2ccccc2n1Cc1cc(N[C@H](C)C(=O)N2CCCCC2)nc(C)[nH+]1 ZINC000019655777 210277208 /nfs/dbraw/zinc/27/72/08/210277208.db2.gz DGDNBFJPBNMQHK-OAHLLOKOSA-N 1 2 392.507 3.304 40 0 GGABLO Cc1nc(N[C@H](C)C(=O)N2CCCCC2)cc(CCc2nc3ccccc3[nH]2)[nH+]1 ZINC000019655773 210276932 /nfs/dbraw/zinc/27/69/32/210276932.db2.gz PZXKBAUZCUABBA-OAHLLOKOSA-N 1 2 392.507 3.259 40 0 GGABLO CN(C)c1ncccc1C[N@H+]1CCCC[C@@H]1c1cc(=O)[nH]c(-c2ccccn2)n1 ZINC000019584122 210270510 /nfs/dbraw/zinc/27/05/10/210270510.db2.gz XZSSQLCWTMJHIU-LJQANCHMSA-N 1 2 390.491 3.432 40 0 GGABLO CN(C)c1ncccc1C[N@@H+]1CCCC[C@@H]1c1cc(=O)[nH]c(-c2ccccn2)n1 ZINC000019584122 210270506 /nfs/dbraw/zinc/27/05/06/210270506.db2.gz XZSSQLCWTMJHIU-LJQANCHMSA-N 1 2 390.491 3.432 40 0 GGABLO CCn1c[nH+]c2cc(NS(=O)(=O)c3ccc4c(c3)CCCN4C(C)=O)ccc21 ZINC000019578326 210270067 /nfs/dbraw/zinc/27/00/67/210270067.db2.gz OLXBCWIHBJUGCY-UHFFFAOYSA-N 1 2 398.488 3.156 40 0 GGABLO CN(C)c1ncccc1C[N@@H+]1CCCC[C@H]1c1cc(=O)[nH]c(-c2ccccn2)n1 ZINC000019584125 210269967 /nfs/dbraw/zinc/26/99/67/210269967.db2.gz XZSSQLCWTMJHIU-IBGZPJMESA-N 1 2 390.491 3.432 40 0 GGABLO CN(C)c1ncccc1C[N@H+]1CCCC[C@H]1c1cc(=O)[nH]c(-c2ccccn2)n1 ZINC000019584125 210269970 /nfs/dbraw/zinc/26/99/70/210269970.db2.gz XZSSQLCWTMJHIU-IBGZPJMESA-N 1 2 390.491 3.432 40 0 GGABLO Cc1cc(C)n(CCCC(=O)Nc2ccc3c(c2)[nH+]c(C(C)C)n3C)c(=O)n1 ZINC000019572610 210268336 /nfs/dbraw/zinc/26/83/36/210268336.db2.gz XRNKQQTUKDJENN-UHFFFAOYSA-N 1 2 381.480 3.289 40 0 GGABLO COCCOc1cccc(CN2CCc3nc([C@@H]4CCCC[N@@H+]4C)ncc3C2)c1 ZINC000019589024 210273294 /nfs/dbraw/zinc/27/32/94/210273294.db2.gz XKASXVXWMYEZFT-QFIPXVFZSA-N 1 2 396.535 3.217 40 0 GGABLO COCCOc1cccc(CN2CCc3nc([C@@H]4CCCC[N@H+]4C)ncc3C2)c1 ZINC000019589024 210273299 /nfs/dbraw/zinc/27/32/99/210273299.db2.gz XKASXVXWMYEZFT-QFIPXVFZSA-N 1 2 396.535 3.217 40 0 GGABLO CCCSc1ncc(C[N@@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)cn1 ZINC000012121937 221154873 /nfs/dbraw/zinc/15/48/73/221154873.db2.gz RUOMKQUHZVPZRO-UHFFFAOYSA-N 1 2 394.504 3.095 40 0 GGABLO CCCSc1ncc(C[N@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)cn1 ZINC000012121937 221154876 /nfs/dbraw/zinc/15/48/76/221154876.db2.gz RUOMKQUHZVPZRO-UHFFFAOYSA-N 1 2 394.504 3.095 40 0 GGABLO Cc1ccc(-c2cc(CC3(C(=O)NCCc4c[nH+]c[nH]4)CCOCC3)on2)cc1 ZINC000012126555 221156340 /nfs/dbraw/zinc/15/63/40/221156340.db2.gz GUEJCBXJCBMFSE-UHFFFAOYSA-N 1 2 394.475 3.071 40 0 GGABLO Cc1ccc(-c2cc(CC3(C(=O)NCCc4c[nH]c[nH+]4)CCOCC3)on2)cc1 ZINC000012126555 221156343 /nfs/dbraw/zinc/15/63/43/221156343.db2.gz GUEJCBXJCBMFSE-UHFFFAOYSA-N 1 2 394.475 3.071 40 0 GGABLO COCCNc1nc(-c2ccncc2)nc2c1CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000012123243 221156566 /nfs/dbraw/zinc/15/65/66/221156566.db2.gz WYQKQZMRLGIPRP-UHFFFAOYSA-N 1 2 393.466 3.294 40 0 GGABLO COCCNc1nc(-c2ccncc2)nc2c1CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000012123243 221156568 /nfs/dbraw/zinc/15/65/68/221156568.db2.gz WYQKQZMRLGIPRP-UHFFFAOYSA-N 1 2 393.466 3.294 40 0 GGABLO CCOC(=O)[C@@H]1CCCN(c2nc(C)nc3c2C[N@H+](Cc2ccccc2)CC3)C1 ZINC000012183278 221162431 /nfs/dbraw/zinc/16/24/31/221162431.db2.gz GDQZQWSDJXHXCI-LJQANCHMSA-N 1 2 394.519 3.123 40 0 GGABLO CCOC(=O)[C@@H]1CCCN(c2nc(C)nc3c2C[N@@H+](Cc2ccccc2)CC3)C1 ZINC000012183278 221162432 /nfs/dbraw/zinc/16/24/32/221162432.db2.gz GDQZQWSDJXHXCI-LJQANCHMSA-N 1 2 394.519 3.123 40 0 GGABLO CCOC(=O)C1CCN(c2nc(C)nc3c2C[N@H+](Cc2ccccc2)CC3)CC1 ZINC000012183228 221162967 /nfs/dbraw/zinc/16/29/67/221162967.db2.gz QZHYJABJTRFIDR-UHFFFAOYSA-N 1 2 394.519 3.123 40 0 GGABLO CCOC(=O)C1CCN(c2nc(C)nc3c2C[N@@H+](Cc2ccccc2)CC3)CC1 ZINC000012183228 221162968 /nfs/dbraw/zinc/16/29/68/221162968.db2.gz QZHYJABJTRFIDR-UHFFFAOYSA-N 1 2 394.519 3.123 40 0 GGABLO CCOc1ccc(OCC)c(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000057711274 136153791 /nfs/dbraw/zinc/15/37/91/136153791.db2.gz MWQDKIHKHIRCAT-UHFFFAOYSA-N 1 2 383.492 3.245 40 0 GGABLO CCc1ccc(C[N@@H+]2CCc3nc(N4CCOCC4)nc(NC(C)C)c3C2)cc1 ZINC000096254291 136185831 /nfs/dbraw/zinc/18/58/31/136185831.db2.gz SPEGTGKQZLHCTC-UHFFFAOYSA-N 1 2 395.551 3.254 40 0 GGABLO CCc1ccc(C[N@H+]2CCc3nc(N4CCOCC4)nc(NC(C)C)c3C2)cc1 ZINC000096254291 136185832 /nfs/dbraw/zinc/18/58/32/136185832.db2.gz SPEGTGKQZLHCTC-UHFFFAOYSA-N 1 2 395.551 3.254 40 0 GGABLO Cc1ccc(C)c(NC(=O)C[NH+]2CCN(c3ncnc4sccc43)CC2)c1 ZINC000127548971 136192560 /nfs/dbraw/zinc/19/25/60/136192560.db2.gz XJZTYWZOJWXQEE-UHFFFAOYSA-N 1 2 381.505 3.069 40 0 GGABLO COc1c(Cl)cc(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cc1Cl ZINC000010719713 136199294 /nfs/dbraw/zinc/19/92/94/136199294.db2.gz RTRMJAUVKHTSGT-UHFFFAOYSA-N 1 2 396.274 3.164 40 0 GGABLO O=C(Nc1ccc(N2CCCCC2)nc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000012985320 136200706 /nfs/dbraw/zinc/20/07/06/136200706.db2.gz YWRGCQINTVRGIC-UHFFFAOYSA-N 1 2 380.492 3.156 40 0 GGABLO CC[C@H](c1nnnn1CCc1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000013505426 136201094 /nfs/dbraw/zinc/20/10/94/136201094.db2.gz XEJJELATQXZRNF-OAQYLSRUSA-N 1 2 376.508 3.189 40 0 GGABLO COc1ccc2[nH]c(=O)c(CNc3ccc([NH+]4CCC(O)CC4)cc3)cc2c1 ZINC000013563036 136201256 /nfs/dbraw/zinc/20/12/56/136201256.db2.gz JSFPRPKIQBTORM-UHFFFAOYSA-N 1 2 379.460 3.110 40 0 GGABLO O=C(CCC1CCCCC1)NCCn1ncc2c1nc[nH+]c2N1CCCCC1 ZINC000017149669 136202262 /nfs/dbraw/zinc/20/22/62/136202262.db2.gz FQCJROLSFTXEBD-UHFFFAOYSA-N 1 2 384.528 3.293 40 0 GGABLO COc1ccc([C@@H](NC(=O)[C@@H](C)Oc2ccc(C)cc2)c2[nH+]ccn2C)cc1 ZINC000009156868 525197347 /nfs/dbraw/zinc/19/73/47/525197347.db2.gz GKNSKOUCTKDUPG-OXQOHEQNSA-N 1 2 379.460 3.410 40 0 GGABLO COCCNC(=O)c1ccccc1NC(=O)C1CC[NH+](c2ccc(C)cc2)CC1 ZINC000219858197 536891273 /nfs/dbraw/zinc/89/12/73/536891273.db2.gz REROOIYVTLAUOC-UHFFFAOYSA-N 1 2 395.503 3.226 40 0 GGABLO COc1ccc2[nH]c(C[C@H]3C[N@H+](Cc4ccccn4)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514288636 560034224 /nfs/dbraw/zinc/03/42/24/560034224.db2.gz JPOFRVOEJXBETJ-HOTGVXAUSA-N 1 2 394.475 3.122 40 0 biogenic,in-vitro GGABLO COc1ccc2[nH]c(C[C@H]3C[N@@H+](Cc4ccccn4)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514288636 560034225 /nfs/dbraw/zinc/03/42/25/560034225.db2.gz JPOFRVOEJXBETJ-HOTGVXAUSA-N 1 2 394.475 3.122 40 0 biogenic,in-vitro GGABLO CC(C)C(=O)N1CCC(O)(c2csc(C[N@@H+]3CCc4ccccc4C3)n2)CC1 ZINC000225475079 560043055 /nfs/dbraw/zinc/04/30/55/560043055.db2.gz BNNOOVMBXYKAHY-UHFFFAOYSA-N 1 2 399.560 3.167 40 0 biogenic,in-vitro GGABLO CC(C)C(=O)N1CCC(O)(c2csc(C[N@H+]3CCc4ccccc4C3)n2)CC1 ZINC000225475079 560043057 /nfs/dbraw/zinc/04/30/57/560043057.db2.gz BNNOOVMBXYKAHY-UHFFFAOYSA-N 1 2 399.560 3.167 40 0 biogenic,in-vitro GGABLO COc1ccccc1C[N@@H+]1C[C@@H]2C[C@H]1C(=O)N(CC1CC1)c1ccccc1O2 ZINC000096111807 560061050 /nfs/dbraw/zinc/06/10/50/560061050.db2.gz BSEZWEAZKYYVKX-ICSRJNTNSA-N 1 2 378.472 3.474 40 0 biogenic,in-vitro GGABLO COc1ccccc1C[N@H+]1C[C@@H]2C[C@H]1C(=O)N(CC1CC1)c1ccccc1O2 ZINC000096111807 560061052 /nfs/dbraw/zinc/06/10/52/560061052.db2.gz BSEZWEAZKYYVKX-ICSRJNTNSA-N 1 2 378.472 3.474 40 0 biogenic,in-vitro GGABLO Cn1cc[nH+]c1CN1CCOC[C@H]1c1nc(-c2ccc(C(F)(F)F)cc2)c[nH]1 ZINC000072321971 560076405 /nfs/dbraw/zinc/07/64/05/560076405.db2.gz PFDXXWABGHBVKU-INIZCTEOSA-N 1 2 391.397 3.403 40 0 biogenic,in-vitro GGABLO c1cncc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccnc(N4CCCC4)c3)no2)c1 ZINC000035426333 560080548 /nfs/dbraw/zinc/08/05/48/560080548.db2.gz YSEKYXHRFTUSPY-SFHVURJKSA-N 1 2 376.464 3.464 40 0 biogenic,in-vitro GGABLO c1cncc(C[N@H+]2CCC[C@H]2c2nc(-c3ccnc(N4CCCC4)c3)no2)c1 ZINC000035426333 560080549 /nfs/dbraw/zinc/08/05/49/560080549.db2.gz YSEKYXHRFTUSPY-SFHVURJKSA-N 1 2 376.464 3.464 40 0 biogenic,in-vitro GGABLO C[N@@H+]1C[C@@H](NC(=O)c2ccc3ccccc3c2)C[C@H]1c1nc(-c2ccncc2)no1 ZINC000012529821 560212749 /nfs/dbraw/zinc/21/27/49/560212749.db2.gz YWDYXYCYWWKTJI-PMACEKPBSA-N 1 2 399.454 3.460 40 0 biogenic,in-vitro GGABLO C[N@H+]1C[C@@H](NC(=O)c2ccc3ccccc3c2)C[C@H]1c1nc(-c2ccncc2)no1 ZINC000012529821 560212751 /nfs/dbraw/zinc/21/27/51/560212751.db2.gz YWDYXYCYWWKTJI-PMACEKPBSA-N 1 2 399.454 3.460 40 0 biogenic,in-vitro GGABLO CC(=O)Nc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000015674939 560231242 /nfs/dbraw/zinc/23/12/42/560231242.db2.gz DVHRUCMEMLAOSJ-MOPGFXCFSA-N 1 2 396.422 3.142 40 0 biogenic,in-vitro GGABLO CC(=O)Nc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000015674939 560231243 /nfs/dbraw/zinc/23/12/43/560231243.db2.gz DVHRUCMEMLAOSJ-MOPGFXCFSA-N 1 2 396.422 3.142 40 0 biogenic,in-vitro GGABLO O=C(C[NH+]1CCC(O)(c2ccccn2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000012114375 564265936 /nfs/dbraw/zinc/26/59/36/564265936.db2.gz QDSIREMOKKGRTF-UHFFFAOYSA-N 1 2 380.275 3.311 40 0 GGABLO CC[NH+](CC)[C@@H](CNS(=O)(=O)N1CCCCCC1)c1ccccc1Cl ZINC000022412529 564317011 /nfs/dbraw/zinc/31/70/11/564317011.db2.gz IQFSJIRAEZJELO-SFHVURJKSA-N 1 2 387.977 3.433 40 0 GGABLO COc1ccc(Cl)cc1NC(=O)CN1CC[NH+](Cc2ccsc2)CC1 ZINC000022933267 564321095 /nfs/dbraw/zinc/32/10/95/564321095.db2.gz GTUQIDWGNWSAAO-UHFFFAOYSA-N 1 2 379.913 3.166 40 0 GGABLO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccccc1Br ZINC000028727443 564364314 /nfs/dbraw/zinc/36/43/14/564364314.db2.gz KQOBOISSWWCOFP-GFCCVEGCSA-N 1 2 383.311 3.290 40 0 GGABLO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccccc1Br ZINC000028727443 564364317 /nfs/dbraw/zinc/36/43/17/564364317.db2.gz KQOBOISSWWCOFP-GFCCVEGCSA-N 1 2 383.311 3.290 40 0 GGABLO O=S(=O)(c1cccc(Cl)c1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000029028653 564366144 /nfs/dbraw/zinc/36/61/44/564366144.db2.gz AZPXGCVCTCDNDU-UHFFFAOYSA-N 1 2 382.888 3.376 40 0 GGABLO O=S(=O)(c1cccc(Cl)c1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000029028653 564366147 /nfs/dbraw/zinc/36/61/47/564366147.db2.gz AZPXGCVCTCDNDU-UHFFFAOYSA-N 1 2 382.888 3.376 40 0 GGABLO O=C(c1ccc(Br)cc1)N1CC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000123233589 564443052 /nfs/dbraw/zinc/44/30/52/564443052.db2.gz RYSJYRVYSFGMDV-UHFFFAOYSA-N 1 2 399.292 3.283 40 0 GGABLO O=C(COc1ccc(Br)cc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000060129933 564695776 /nfs/dbraw/zinc/69/57/76/564695776.db2.gz LPLVWHNDMCFERJ-UHFFFAOYSA-N 1 2 386.249 3.330 40 0 GGABLO [NH3+][C@H](Cc1ccccc1)c1nc(-c2ccc(I)cc2)n[nH]1 ZINC000095534881 564900402 /nfs/dbraw/zinc/90/04/02/564900402.db2.gz LPNKCEASUBNOEI-CQSZACIVSA-N 1 2 390.228 3.319 40 0 GGABLO CSc1nc(NCCOC(=O)c2snnc2-c2cccs2)cc(C)[nH+]1 ZINC000223848529 565910298 /nfs/dbraw/zinc/91/02/98/565910298.db2.gz CSGCUWCGKATMBO-UHFFFAOYSA-N 1 2 393.519 3.356 40 0 GGABLO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000225510821 565915273 /nfs/dbraw/zinc/91/52/73/565915273.db2.gz MUTQKFMRJDACSA-LBPRGKRZSA-N 1 2 379.291 3.170 40 0 GGABLO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000225510821 565915274 /nfs/dbraw/zinc/91/52/74/565915274.db2.gz MUTQKFMRJDACSA-LBPRGKRZSA-N 1 2 379.291 3.170 40 0 GGABLO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1cn(Cc2ccccc2)nn1 ZINC000048263259 570224952 /nfs/dbraw/zinc/22/49/52/570224952.db2.gz BVOFFVJIGJDPBV-UHFFFAOYSA-N 1 2 390.491 3.032 40 0 GGABLO CCc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccccc2)[N@H+]2CCC[C@@H]32)cc1 ZINC000005246572 570251505 /nfs/dbraw/zinc/25/15/05/570251505.db2.gz BRHTWTJGFOAPDG-BURNTYAHSA-N 1 2 388.467 3.084 40 0 GGABLO CCc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccccc2)[N@@H+]2CCC[C@@H]32)cc1 ZINC000005246572 570251506 /nfs/dbraw/zinc/25/15/06/570251506.db2.gz BRHTWTJGFOAPDG-BURNTYAHSA-N 1 2 388.467 3.084 40 0 GGABLO Cc1cc(C)n(-c2ccc(C(=O)NCc3cccnc3-n3cc[nH+]c3)cc2F)n1 ZINC000112194114 570252307 /nfs/dbraw/zinc/25/23/07/570252307.db2.gz AKIRUXZBHVTNNI-UHFFFAOYSA-N 1 2 390.422 3.139 40 0 GGABLO CC1(C)CN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)CCc2ccccc21 ZINC000663958671 570279879 /nfs/dbraw/zinc/27/98/79/570279879.db2.gz FJYRPGUFLMVTQQ-UHFFFAOYSA-N 1 2 380.414 3.491 40 0 GGABLO Cc1ccc(C)c(NC(=O)CN(C)C(=O)C[N@H+](C)Cc2ccccc2Cl)c1 ZINC000012918141 570293524 /nfs/dbraw/zinc/29/35/24/570293524.db2.gz QCWPKPYBWVVBDM-UHFFFAOYSA-N 1 2 387.911 3.486 40 0 GGABLO Cc1ccc(C)c(NC(=O)CN(C)C(=O)C[N@@H+](C)Cc2ccccc2Cl)c1 ZINC000012918141 570293526 /nfs/dbraw/zinc/29/35/26/570293526.db2.gz QCWPKPYBWVVBDM-UHFFFAOYSA-N 1 2 387.911 3.486 40 0 GGABLO O=C(CN1C(=O)c2cccc3cccc1c23)NCc1ccccc1-n1cc[nH+]c1 ZINC000216460367 570302130 /nfs/dbraw/zinc/30/21/30/570302130.db2.gz VJMRACJJLYBLNV-UHFFFAOYSA-N 1 2 382.423 3.302 40 0 GGABLO O=C(N1CC([N@@H+]2CCc3sccc3C2)C1)C1(c2ccccc2)CCOCC1 ZINC000575413793 570302980 /nfs/dbraw/zinc/30/29/80/570302980.db2.gz JOKJAOGRRNJHLG-UHFFFAOYSA-N 1 2 382.529 3.065 40 0 GGABLO O=C(N1CC([N@H+]2CCc3sccc3C2)C1)C1(c2ccccc2)CCOCC1 ZINC000575413793 570302985 /nfs/dbraw/zinc/30/29/85/570302985.db2.gz JOKJAOGRRNJHLG-UHFFFAOYSA-N 1 2 382.529 3.065 40 0 GGABLO COc1ccc(C[NH+]2CCN([C@@H](C)C(=O)Nc3ccccc3C)CC2)cc1F ZINC000022056537 570303552 /nfs/dbraw/zinc/30/35/52/570303552.db2.gz MIWXQVJNFCMTDB-KRWDZBQOSA-N 1 2 385.483 3.288 40 0 GGABLO COc1ccc(CN2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3C)CC2)cc1F ZINC000022056537 570303554 /nfs/dbraw/zinc/30/35/54/570303554.db2.gz MIWXQVJNFCMTDB-KRWDZBQOSA-N 1 2 385.483 3.288 40 0 GGABLO O=S1(=O)CC[C@@H]([N@H+](C[C@@H]2CCCO2)C(c2ccccc2)c2ccccc2)C1 ZINC000575422703 570308819 /nfs/dbraw/zinc/30/88/19/570308819.db2.gz VXGFCIPLVMHSPM-RTWAWAEBSA-N 1 2 385.529 3.444 40 0 GGABLO O=S1(=O)CC[C@@H]([N@@H+](C[C@@H]2CCCO2)C(c2ccccc2)c2ccccc2)C1 ZINC000575422703 570308821 /nfs/dbraw/zinc/30/88/21/570308821.db2.gz VXGFCIPLVMHSPM-RTWAWAEBSA-N 1 2 385.529 3.444 40 0 GGABLO Cc1nc(C[N@@H+]2CCOC[C@@]3(C[C@@H](CNc4cccc(F)c4)CO3)C2)cs1 ZINC000107243501 570308922 /nfs/dbraw/zinc/30/89/22/570308922.db2.gz AGAPRRHDOAQFCF-OXJNMPFZSA-N 1 2 391.512 3.310 40 0 GGABLO Cc1nc(C[N@H+]2CCOC[C@@]3(C[C@@H](CNc4cccc(F)c4)CO3)C2)cs1 ZINC000107243501 570308923 /nfs/dbraw/zinc/30/89/23/570308923.db2.gz AGAPRRHDOAQFCF-OXJNMPFZSA-N 1 2 391.512 3.310 40 0 GGABLO O=C1c2ccccc2N[C@H](c2ccc(F)cc2F)N1CCC[NH+]1CCOCC1 ZINC000024830562 570310688 /nfs/dbraw/zinc/31/06/88/570310688.db2.gz SXWPFHDYNMWXLM-FQEVSTJZSA-N 1 2 387.430 3.254 40 0 GGABLO O=S(=O)(c1ccccc1)N1C[C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)[C@H]2C1 ZINC000107798108 570311039 /nfs/dbraw/zinc/31/10/39/570311039.db2.gz SEVGPOIDTPYZCU-QAPCUYQASA-N 1 2 396.434 3.210 40 0 GGABLO O=S(=O)(c1ccccc1)N1C[C@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)[C@H]2C1 ZINC000107798108 570311041 /nfs/dbraw/zinc/31/10/41/570311041.db2.gz SEVGPOIDTPYZCU-QAPCUYQASA-N 1 2 396.434 3.210 40 0 GGABLO NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000035296344 570312154 /nfs/dbraw/zinc/31/21/54/570312154.db2.gz ASRUESXRQSJJJI-QFIPXVFZSA-N 1 2 385.467 3.351 40 0 GGABLO NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000035296344 570312156 /nfs/dbraw/zinc/31/21/56/570312156.db2.gz ASRUESXRQSJJJI-QFIPXVFZSA-N 1 2 385.467 3.351 40 0 GGABLO CC(=O)N1CCCC[C@@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)[nH+]c1 ZINC000072216436 570317292 /nfs/dbraw/zinc/31/72/92/570317292.db2.gz JQPNYWGHCMGLMG-GOSISDBHSA-N 1 2 388.512 3.212 40 0 GGABLO CC(=O)N1CCCC[C@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)[nH+]c1 ZINC000072216437 570317328 /nfs/dbraw/zinc/31/73/28/570317328.db2.gz JQPNYWGHCMGLMG-SFHVURJKSA-N 1 2 388.512 3.212 40 0 GGABLO Cc1cc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)c2ccccc2n1 ZINC000012950815 570318530 /nfs/dbraw/zinc/31/85/30/570318530.db2.gz KZJZVFFRERKRLL-IBGZPJMESA-N 1 2 381.501 3.408 40 0 GGABLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 ZINC000220725333 570325424 /nfs/dbraw/zinc/32/54/24/570325424.db2.gz BHIXCRJUWNRGRM-KRWDZBQOSA-N 1 2 391.475 3.287 40 0 GGABLO Cc1ccccc1C(=O)N[C@H](C(=O)N1CC[NH+](Cc2cccs2)CC1)C(C)C ZINC000023735343 570330571 /nfs/dbraw/zinc/33/05/71/570330571.db2.gz GQQYNMHINJOKSW-FQEVSTJZSA-N 1 2 399.560 3.155 40 0 GGABLO COc1ccc(OC)c(/C=C/C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)c1 ZINC000023773795 570332944 /nfs/dbraw/zinc/33/29/44/570332944.db2.gz PBIXZJPTKPEWLS-VZOQVYJPSA-N 1 2 377.444 3.356 40 0 GGABLO Cn1cc[nH+]c1[C@H](NC(=O)CCc1ccc2c(c1)OCO2)c1cccc(F)c1 ZINC000024016578 570342298 /nfs/dbraw/zinc/34/22/98/570342298.db2.gz UZLQQGFPCJYAKZ-HXUWFJFHSA-N 1 2 381.407 3.126 40 0 GGABLO CC[C@@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)c1ccc(OC)c(OC)c1 ZINC000219247667 570350352 /nfs/dbraw/zinc/35/03/52/570350352.db2.gz AVSLNRIKRCETFB-HXUWFJFHSA-N 1 2 398.503 3.417 40 0 GGABLO Cc1[nH+]c2cc(C(F)(F)F)ccc2n1C1CCN(C(=O)N2CCOCC2)CC1 ZINC000004092583 570356993 /nfs/dbraw/zinc/35/69/93/570356993.db2.gz RKJYCBGJNNJRGJ-UHFFFAOYSA-N 1 2 396.413 3.453 40 0 GGABLO C[N@@H+](Cc1c(F)cccc1Cl)C[C@@H](O)COCc1ccc2c(c1)OCO2 ZINC000023408946 570361371 /nfs/dbraw/zinc/36/13/71/570361371.db2.gz ZUALAAALHYJOBV-CQSZACIVSA-N 1 2 381.831 3.217 40 0 GGABLO C[N@H+](Cc1c(F)cccc1Cl)C[C@@H](O)COCc1ccc2c(c1)OCO2 ZINC000023408946 570361374 /nfs/dbraw/zinc/36/13/74/570361374.db2.gz ZUALAAALHYJOBV-CQSZACIVSA-N 1 2 381.831 3.217 40 0 GGABLO CC[C@@H](c1nnnn1CCc1ccccc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057671828 570364941 /nfs/dbraw/zinc/36/49/41/570364941.db2.gz UYLYEHOVWZIRGL-NRFANRHFSA-N 1 2 394.498 3.328 40 0 GGABLO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057670275 570367791 /nfs/dbraw/zinc/36/77/91/570367791.db2.gz UQMUDMJIAPHPJV-CTNGQTDRSA-N 1 2 398.555 3.132 40 0 GGABLO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057670292 570367851 /nfs/dbraw/zinc/36/78/51/570367851.db2.gz CPZALNUVTAZDIR-UXHICEINSA-N 1 2 398.555 3.132 40 0 GGABLO CCC[C@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057670614 570368182 /nfs/dbraw/zinc/36/81/82/570368182.db2.gz DHZHOZJEFPHZFM-OAQYLSRUSA-N 1 2 376.508 3.385 40 0 GGABLO CC(C)[C@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057670658 570368274 /nfs/dbraw/zinc/36/82/74/570368274.db2.gz LXFCHCRZIJSFRJ-OAQYLSRUSA-N 1 2 394.498 3.380 40 0 GGABLO CC(C)C[C@H](c1nnnn1Cc1ccco1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057671269 570368623 /nfs/dbraw/zinc/36/86/23/570368623.db2.gz JSRWLVOBBRLAPT-HXUWFJFHSA-N 1 2 380.496 3.224 40 0 GGABLO CC(C)C[C@@H](c1nnnn1Cc1ccco1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057671264 570368842 /nfs/dbraw/zinc/36/88/42/570368842.db2.gz JSRWLVOBBRLAPT-FQEVSTJZSA-N 1 2 380.496 3.224 40 0 GGABLO Cc1c(C(=O)N2CC[NH+](Cc3cccs3)CC2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000023736237 570370757 /nfs/dbraw/zinc/37/07/57/570370757.db2.gz CZGHNAYDNNSMMT-UHFFFAOYSA-N 1 2 385.533 3.498 40 0 GGABLO CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000022691995 570373970 /nfs/dbraw/zinc/37/39/70/570373970.db2.gz TXUGTWLTYSXFDO-LJQANCHMSA-N 1 2 391.581 3.113 40 0 GGABLO Cc1cc(-n2c(C)cc(C(=O)CN3CC[NH+](Cc4ccsc4)CC3)c2C)no1 ZINC000022805431 570377595 /nfs/dbraw/zinc/37/75/95/570377595.db2.gz UPFQXQDKPJIGAY-UHFFFAOYSA-N 1 2 398.532 3.453 40 0 GGABLO C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)CN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000022917732 570379048 /nfs/dbraw/zinc/37/90/48/570379048.db2.gz MDOOZNIYCLJUBZ-QKLQHJQFSA-N 1 2 377.960 3.399 40 0 GGABLO C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000022917732 570379050 /nfs/dbraw/zinc/37/90/50/570379050.db2.gz MDOOZNIYCLJUBZ-QKLQHJQFSA-N 1 2 377.960 3.399 40 0 GGABLO COc1cccc(/C=C/C(=O)Oc2ccc(OCC[NH+]3CCOCC3)cc2)c1 ZINC000040146332 570410326 /nfs/dbraw/zinc/41/03/26/570410326.db2.gz UIJZFATVGAATOK-BJMVGYQFSA-N 1 2 383.444 3.025 40 0 GGABLO Cc1cc(C)cc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@H](C(=O)c4ccccc4)[C@@H]3C2=O)c1 ZINC000035848450 570433648 /nfs/dbraw/zinc/43/36/48/570433648.db2.gz RXFYHRRDRDQGTJ-MHTWAQMVSA-N 1 2 388.467 3.139 40 0 GGABLO Cc1cc(C)cc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@H](C(=O)c4ccccc4)[C@@H]3C2=O)c1 ZINC000035848450 570433649 /nfs/dbraw/zinc/43/36/49/570433649.db2.gz RXFYHRRDRDQGTJ-MHTWAQMVSA-N 1 2 388.467 3.139 40 0 GGABLO Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccccc2)[N@H+]2CCC[C@@H]32)c1 ZINC000035848447 570433662 /nfs/dbraw/zinc/43/36/62/570433662.db2.gz RXFYHRRDRDQGTJ-BURNTYAHSA-N 1 2 388.467 3.139 40 0 GGABLO Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccccc2)[N@@H+]2CCC[C@@H]32)c1 ZINC000035848447 570433663 /nfs/dbraw/zinc/43/36/63/570433663.db2.gz RXFYHRRDRDQGTJ-BURNTYAHSA-N 1 2 388.467 3.139 40 0 GGABLO O=c1[nH]ncc(N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)c1Cl ZINC000026775756 570437645 /nfs/dbraw/zinc/43/76/45/570437645.db2.gz ZEIDWHRLYKGXFT-UHFFFAOYSA-N 1 2 388.777 3.056 40 0 GGABLO COc1ccc([C@@H](c2c(C)[nH]n(-c3ccccc3)c2=O)[NH+]2CCOCC2)cc1 ZINC000039377196 570443949 /nfs/dbraw/zinc/44/39/49/570443949.db2.gz RIOXAWAJNBGQHH-SFTDATJTSA-N 1 2 379.460 3.107 40 0 GGABLO COc1ccc([C@H](c2c(C)[nH]n(-c3ccccc3)c2=O)[NH+]2CCOCC2)cc1 ZINC000039377194 570444241 /nfs/dbraw/zinc/44/42/41/570444241.db2.gz RIOXAWAJNBGQHH-LEWJYISDSA-N 1 2 379.460 3.107 40 0 GGABLO O=C(C[N@@H+]1CCc2ccccc2C1)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000035311546 570466603 /nfs/dbraw/zinc/46/66/03/570466603.db2.gz ASFIPLZLOHFFMZ-UHFFFAOYSA-N 1 2 377.488 3.310 40 0 GGABLO O=C(C[N@H+]1CCc2ccccc2C1)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000035311546 570466607 /nfs/dbraw/zinc/46/66/07/570466607.db2.gz ASFIPLZLOHFFMZ-UHFFFAOYSA-N 1 2 377.488 3.310 40 0 GGABLO Cc1ccc(C)c(-n2c(SCC[NH+]3CCOCC3)nnc2-c2cccnc2)c1 ZINC000035313007 570467718 /nfs/dbraw/zinc/46/77/18/570467718.db2.gz VXWPBTILZDUZHF-UHFFFAOYSA-N 1 2 395.532 3.370 40 0 GGABLO COc1ccc(C(=O)Cn2c(C[NH+]3CCCCC3)nc3ccccc3c2=O)cc1 ZINC000035315851 570469946 /nfs/dbraw/zinc/46/99/46/570469946.db2.gz CVYOHVABFPGMGT-UHFFFAOYSA-N 1 2 391.471 3.274 40 0 GGABLO C[C@@H](Sc1ccccc1)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000026538866 570471475 /nfs/dbraw/zinc/47/14/75/570471475.db2.gz NPRVYEIOMHSRTE-MRXNPFEDSA-N 1 2 384.501 3.240 40 0 GGABLO CC(C)Oc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000026539087 570471599 /nfs/dbraw/zinc/47/15/99/570471599.db2.gz CVTYGZLXLVLENE-UHFFFAOYSA-N 1 2 382.460 3.161 40 0 GGABLO O=C(NCCOc1ccc2ccccc2c1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000223582151 570472670 /nfs/dbraw/zinc/47/26/70/570472670.db2.gz LRWRETOAODBXBR-UHFFFAOYSA-N 1 2 390.483 3.481 40 0 GGABLO COc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1C(C)C ZINC000223702332 570479725 /nfs/dbraw/zinc/47/97/25/570479725.db2.gz RZRIQDFXQZYIEX-UHFFFAOYSA-N 1 2 385.489 3.483 40 0 GGABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[NH+]3CCCCC3)cc2c1 ZINC000000782383 570480412 /nfs/dbraw/zinc/48/04/12/570480412.db2.gz BLVZFXKTNOBJQC-LJQANCHMSA-N 1 2 394.523 3.462 40 0 GGABLO Cc1cccc2cc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)oc21 ZINC000139471414 570494254 /nfs/dbraw/zinc/49/42/54/570494254.db2.gz JWVKUKZPEGMVKZ-UHFFFAOYSA-N 1 2 378.428 3.428 40 0 GGABLO Cc1ccc(OCCNC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1Cl ZINC000224119854 570499709 /nfs/dbraw/zinc/49/97/09/570499709.db2.gz UHGZGZXKGDZCID-UHFFFAOYSA-N 1 2 388.895 3.289 40 0 GGABLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1Cl ZINC000224158457 570501474 /nfs/dbraw/zinc/50/14/74/570501474.db2.gz SZOWQPMIHCJLTN-UHFFFAOYSA-N 1 2 388.851 3.035 40 0 GGABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[NH+]3CCCC3)cc2c1 ZINC000000893283 570512897 /nfs/dbraw/zinc/51/28/97/570512897.db2.gz PRMABONPYVBONN-FQEVSTJZSA-N 1 2 392.507 3.377 40 0 GGABLO COc1ccc(OC)c(S(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)c1 ZINC000033924517 570530244 /nfs/dbraw/zinc/53/02/44/570530244.db2.gz IRAIVCFVVMVSPT-UHFFFAOYSA-N 1 2 376.478 3.495 40 0 GGABLO COC(=O)c1ccc(CS(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)cc1 ZINC000224964327 570539857 /nfs/dbraw/zinc/53/98/57/570539857.db2.gz RAPAZHVXDBNGLC-UHFFFAOYSA-N 1 2 388.489 3.405 40 0 GGABLO Cc1cc(C)cc(OC[C@H](O)C[N@@H+](C)CC(=O)Nc2cccc(Cl)c2)c1 ZINC000097473523 570542373 /nfs/dbraw/zinc/54/23/73/570542373.db2.gz TZEIDXTVYLYSHH-GOSISDBHSA-N 1 2 376.884 3.267 40 0 GGABLO Cc1cc(C)cc(OC[C@H](O)C[N@H+](C)CC(=O)Nc2cccc(Cl)c2)c1 ZINC000097473523 570542377 /nfs/dbraw/zinc/54/23/77/570542377.db2.gz TZEIDXTVYLYSHH-GOSISDBHSA-N 1 2 376.884 3.267 40 0 GGABLO Cc1cc(C)cc(OC[C@@H](O)C[N@@H+](C)CC(=O)Nc2cccc(Cl)c2)c1 ZINC000097473524 570542584 /nfs/dbraw/zinc/54/25/84/570542584.db2.gz TZEIDXTVYLYSHH-SFHVURJKSA-N 1 2 376.884 3.267 40 0 GGABLO Cc1cc(C)cc(OC[C@@H](O)C[N@H+](C)CC(=O)Nc2cccc(Cl)c2)c1 ZINC000097473524 570542589 /nfs/dbraw/zinc/54/25/89/570542589.db2.gz TZEIDXTVYLYSHH-SFHVURJKSA-N 1 2 376.884 3.267 40 0 GGABLO COc1ccc(F)cc1C[NH+]1CCN([C@@H](C)C(=O)Nc2ccccc2F)CC1 ZINC000022785009 570546861 /nfs/dbraw/zinc/54/68/61/570546861.db2.gz YPZMVRVYUCSWCP-HNNXBMFYSA-N 1 2 389.446 3.118 40 0 GGABLO O=C(CN1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)Nc1ccc(Cl)cc1 ZINC000022805361 570549768 /nfs/dbraw/zinc/54/97/68/570549768.db2.gz CBIPGCIQBUULMV-UHFFFAOYSA-N 1 2 385.895 3.031 40 0 GGABLO COc1c2c(cc3c1[C@H](c1c(=O)[nH][nH]c1-c1ccccc1)[N@H+](C)CC3)OCO2 ZINC000035254160 570550666 /nfs/dbraw/zinc/55/06/66/570550666.db2.gz IIUOGHLQZPQSIP-GOSISDBHSA-N 1 2 379.416 3.097 40 0 GGABLO COc1c2c(cc3c1[C@H](c1c(=O)[nH][nH]c1-c1ccccc1)[N@@H+](C)CC3)OCO2 ZINC000035254160 570550669 /nfs/dbraw/zinc/55/06/69/570550669.db2.gz IIUOGHLQZPQSIP-GOSISDBHSA-N 1 2 379.416 3.097 40 0 GGABLO C[C@@H]1CCC[C@H](NC(=O)CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)[C@@H]1C ZINC000022917728 570573299 /nfs/dbraw/zinc/57/32/99/570573299.db2.gz MDOOZNIYCLJUBZ-HLIPFELVSA-N 1 2 377.960 3.399 40 0 GGABLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)[C@@H]1C ZINC000022917728 570573302 /nfs/dbraw/zinc/57/33/02/570573302.db2.gz MDOOZNIYCLJUBZ-HLIPFELVSA-N 1 2 377.960 3.399 40 0 GGABLO O=C1CCCN1c1cccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000225455176 570575780 /nfs/dbraw/zinc/57/57/80/570575780.db2.gz PLARSHGPNKDXLV-UHFFFAOYSA-N 1 2 391.500 3.486 40 0 GGABLO COC(=O)c1cccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000225453878 570575824 /nfs/dbraw/zinc/57/58/24/570575824.db2.gz UFFIQSPCAVSBBJ-UHFFFAOYSA-N 1 2 380.473 3.454 40 0 GGABLO COc1ccc([C@H](NC(=O)[C@@H](C)c2ccccc2)c2[nH+]ccn2C)cc1OC ZINC000012114954 570610042 /nfs/dbraw/zinc/61/00/42/570610042.db2.gz YYCGOTISOSSGPV-YWZLYKJASA-N 1 2 379.460 3.447 40 0 GGABLO COc1ccc([C@H](NC(=O)Cc2ccc(F)cc2)c2[nH+]ccn2C)cc1OC ZINC000012114950 570610060 /nfs/dbraw/zinc/61/00/60/570610060.db2.gz DECZUJGYUMEZAN-FQEVSTJZSA-N 1 2 383.423 3.025 40 0 GGABLO Cn1c2ccccc2[nH+]c1N1CCC(C(=O)NCCc2cccc(F)c2)CC1 ZINC000012116358 570611004 /nfs/dbraw/zinc/61/10/04/570611004.db2.gz APEREXXDKJGPIH-UHFFFAOYSA-N 1 2 380.467 3.288 40 0 GGABLO COc1ccccc1CNC(=O)C1CCN(c2[nH+]c3ccccc3n2C)CC1 ZINC000012116324 570611149 /nfs/dbraw/zinc/61/11/49/570611149.db2.gz ONFFDMYDADZBQZ-UHFFFAOYSA-N 1 2 378.476 3.115 40 0 GGABLO COc1cccc(CNC(=O)C2CCN(c3[nH+]c4ccccc4n3C)CC2)c1 ZINC000012116325 570611154 /nfs/dbraw/zinc/61/11/54/570611154.db2.gz AZHKDKQHYPATQG-UHFFFAOYSA-N 1 2 378.476 3.115 40 0 GGABLO CCCc1[nH+]c2cc(NC(=O)Cn3cnc4sc(C)cc4c3=O)ccc2n1C ZINC000012116911 570611421 /nfs/dbraw/zinc/61/14/21/570611421.db2.gz TUWGQWJJOGQBFN-UHFFFAOYSA-N 1 2 395.488 3.244 40 0 GGABLO Cn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NCCc2cccc(F)c2)C1 ZINC000012116454 570611513 /nfs/dbraw/zinc/61/15/13/570611513.db2.gz FHCCGEPGZQUGJU-QGZVFWFLSA-N 1 2 380.467 3.288 40 0 GGABLO Cn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NCCc2ccccc2F)C1 ZINC000012116457 570611667 /nfs/dbraw/zinc/61/16/67/570611667.db2.gz AXDGXYRYIOMZFB-KRWDZBQOSA-N 1 2 380.467 3.288 40 0 GGABLO Cc1csc(NC(=O)C[N@@H+]2CCC[C@@H](c3ncncc3-c3cc(C)no3)C2)n1 ZINC000012118403 570612434 /nfs/dbraw/zinc/61/24/34/570612434.db2.gz RNTXNVGSQMMQLT-CQSZACIVSA-N 1 2 398.492 3.023 40 0 GGABLO Cc1csc(NC(=O)C[N@H+]2CCC[C@@H](c3ncncc3-c3cc(C)no3)C2)n1 ZINC000012118403 570612436 /nfs/dbraw/zinc/61/24/36/570612436.db2.gz RNTXNVGSQMMQLT-CQSZACIVSA-N 1 2 398.492 3.023 40 0 GGABLO CC(=O)Oc1ccc(C[N@@H+]2CCc3nc4cc(C(C)(C)C)[nH]n4c(=O)c3C2)cc1 ZINC000012142904 570615040 /nfs/dbraw/zinc/61/50/40/570615040.db2.gz IFNZILJZRZGTOJ-UHFFFAOYSA-N 1 2 394.475 3.216 40 0 GGABLO CC(=O)Oc1ccc(C[N@H+]2CCc3nc4cc(C(C)(C)C)[nH]n4c(=O)c3C2)cc1 ZINC000012142904 570615041 /nfs/dbraw/zinc/61/50/41/570615041.db2.gz IFNZILJZRZGTOJ-UHFFFAOYSA-N 1 2 394.475 3.216 40 0 GGABLO CCc1[nH+]c2cc(NC(=O)c3sc4ncn(C)c(=O)c4c3C)ccc2n1C ZINC000012143792 570615315 /nfs/dbraw/zinc/61/53/15/570615315.db2.gz LUAQVPMFUBETNF-UHFFFAOYSA-N 1 2 381.461 3.005 40 0 GGABLO COc1ccc(CCNC(=O)C[N@H+]2CC=C(c3ccc(C)o3)CC2)cc1OC ZINC000012144965 570615844 /nfs/dbraw/zinc/61/58/44/570615844.db2.gz XQIBAYDXAXGFEG-UHFFFAOYSA-N 1 2 384.476 3.053 40 0 GGABLO COc1ccc(CCNC(=O)C[N@@H+]2CC=C(c3ccc(C)o3)CC2)cc1OC ZINC000012144965 570615846 /nfs/dbraw/zinc/61/58/46/570615846.db2.gz XQIBAYDXAXGFEG-UHFFFAOYSA-N 1 2 384.476 3.053 40 0 GGABLO CCn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NCCc2ccc(O)cc2)C1 ZINC000012145846 570616418 /nfs/dbraw/zinc/61/64/18/570616418.db2.gz TYCXAPFLLQFPLN-SFHVURJKSA-N 1 2 392.503 3.337 40 0 GGABLO Fc1ccc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)cc1F ZINC000225778265 570616396 /nfs/dbraw/zinc/61/63/96/570616396.db2.gz CGYUPADQWALZBH-UHFFFAOYSA-N 1 2 377.460 3.284 40 0 GGABLO CCOc1ncc(C2(O)CC[NH+](Cc3ccc(F)c(F)c3)CC2)c(OCC)n1 ZINC000012186405 570620971 /nfs/dbraw/zinc/62/09/71/570620971.db2.gz GYVOEXSZWKQWET-UHFFFAOYSA-N 1 2 393.434 3.036 40 0 GGABLO CCc1c(C)nc2cc([C@H]3CC[N@H+](Cc4cc(OC)ccc4OC)C3)[nH]n2c1=O ZINC000012276370 570632418 /nfs/dbraw/zinc/63/24/18/570632418.db2.gz NCAUVDKRMIWZCQ-HNNXBMFYSA-N 1 2 396.491 3.312 40 0 GGABLO CCc1c(C)nc2cc([C@H]3CC[N@@H+](Cc4cc(OC)ccc4OC)C3)[nH]n2c1=O ZINC000012276370 570632420 /nfs/dbraw/zinc/63/24/20/570632420.db2.gz NCAUVDKRMIWZCQ-HNNXBMFYSA-N 1 2 396.491 3.312 40 0 GGABLO CCc1cc(=O)n2[nH]c([C@@H]3CC[N@H+](Cc4ccc(OC)c(OC)c4)C3)cc2n1 ZINC000012276577 570632463 /nfs/dbraw/zinc/63/24/63/570632463.db2.gz NGILNXXXAYZKSK-OAHLLOKOSA-N 1 2 382.464 3.004 40 0 GGABLO CCc1cc(=O)n2[nH]c([C@@H]3CC[N@@H+](Cc4ccc(OC)c(OC)c4)C3)cc2n1 ZINC000012276577 570632465 /nfs/dbraw/zinc/63/24/65/570632465.db2.gz NGILNXXXAYZKSK-OAHLLOKOSA-N 1 2 382.464 3.004 40 0 GGABLO O=C(Nc1ccccc1C(=O)N1CCCC1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000044901561 570640819 /nfs/dbraw/zinc/64/08/19/570640819.db2.gz AFHJCWJNQXZZLP-UHFFFAOYSA-N 1 2 393.487 3.007 40 0 GGABLO Cc1ccc(NC(=O)C[NH+]2CCC(NC(=O)Cc3ccccc3)CC2)cc1C ZINC000004908667 570647857 /nfs/dbraw/zinc/64/78/57/570647857.db2.gz MFRPRZWGDSYGGG-UHFFFAOYSA-N 1 2 379.504 3.065 40 0 GGABLO Cc1cccc(C(=O)NC2CC[NH+](CC(=O)Nc3cccc(Cl)c3)CC2)c1 ZINC000004909136 570648016 /nfs/dbraw/zinc/64/80/16/570648016.db2.gz PUYNSEPRPKDXEN-UHFFFAOYSA-N 1 2 385.895 3.481 40 0 GGABLO Cc1ccc(NC(=O)C[NH+]2CCC(NC(=O)Cc3ccccc3)CC2)c(C)c1 ZINC000004909531 570648451 /nfs/dbraw/zinc/64/84/51/570648451.db2.gz UDVQPKRDORALHU-UHFFFAOYSA-N 1 2 379.504 3.065 40 0 GGABLO O=C(c1cnn(-c2ccc(Cl)cc2)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000046895132 570652834 /nfs/dbraw/zinc/65/28/34/570652834.db2.gz POPTVNPFVUVBQD-UHFFFAOYSA-N 1 2 380.879 3.484 40 0 GGABLO c1ccc(CN2C[NH+]=C3N[C@@H]([C@H]4CC=CCC4)n4c5ccccc5nc4N3C2)nc1 ZINC000059620025 570657256 /nfs/dbraw/zinc/65/72/56/570657256.db2.gz VTMALJMXYWGGNH-LAUBAEHRSA-N 1 2 399.502 3.483 40 0 GGABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)[NH+]1CCCC1 ZINC000008624731 570680087 /nfs/dbraw/zinc/68/00/87/570680087.db2.gz CBNQSAKMAHNIOE-GOSISDBHSA-N 1 2 380.496 3.153 40 0 GGABLO COc1ccc(C[NH+]2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc1F ZINC000025043624 570700633 /nfs/dbraw/zinc/70/06/33/570700633.db2.gz MDYUTMMMEOBNQC-UHFFFAOYSA-N 1 2 392.858 3.211 40 0 GGABLO Cc1ncsc1C[N@H+]1Cc2ccnn2[C@@H](CCOCC2CCOCC2)C1 ZINC000247997405 570719999 /nfs/dbraw/zinc/71/99/99/570719999.db2.gz APBHSVFYFYUEBG-SFHVURJKSA-N 1 2 376.526 3.038 40 0 GGABLO Cc1ncsc1C[N@@H+]1Cc2ccnn2[C@@H](CCOCC2CCOCC2)C1 ZINC000247997405 570720003 /nfs/dbraw/zinc/72/00/03/570720003.db2.gz APBHSVFYFYUEBG-SFHVURJKSA-N 1 2 376.526 3.038 40 0 GGABLO Cc1csc2nc(C[N@H+](C)CC(=O)Nc3c(C)cc(C)cc3C)cc(=O)n12 ZINC000025399077 570749116 /nfs/dbraw/zinc/74/91/16/570749116.db2.gz ABHHGDRDVRTESP-UHFFFAOYSA-N 1 2 384.505 3.060 40 0 GGABLO Cc1csc2nc(C[N@@H+](C)CC(=O)Nc3c(C)cc(C)cc3C)cc(=O)n12 ZINC000025399077 570749117 /nfs/dbraw/zinc/74/91/17/570749117.db2.gz ABHHGDRDVRTESP-UHFFFAOYSA-N 1 2 384.505 3.060 40 0 GGABLO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CSc1nc(N)cc(C)[nH+]1 ZINC000007049255 570764201 /nfs/dbraw/zinc/76/42/01/570764201.db2.gz FXAPXWUARKMLFM-UHFFFAOYSA-N 1 2 382.493 3.209 40 0 GGABLO Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)NCc2cn3ccccc3[nH+]2)c1 ZINC000022024447 570777753 /nfs/dbraw/zinc/77/77/53/570777753.db2.gz GLCIATCKLDTCBQ-UHFFFAOYSA-N 1 2 392.488 3.270 40 0 GGABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cccc(F)c1 ZINC000261363037 570788156 /nfs/dbraw/zinc/78/81/56/570788156.db2.gz FRKNQGQFKTYKSJ-IBGZPJMESA-O 1 2 397.455 3.301 40 0 GGABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1ccccc1F ZINC000261364774 570788568 /nfs/dbraw/zinc/78/85/68/570788568.db2.gz NPRMIGZPLBVQRJ-LJQANCHMSA-O 1 2 397.455 3.301 40 0 GGABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cccc(Cl)c1 ZINC000261364985 570788677 /nfs/dbraw/zinc/78/86/77/570788677.db2.gz PCXNLRGKDYRTGY-SFHVURJKSA-O 1 2 399.883 3.425 40 0 GGABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1ccc(OC)c(O)c1 ZINC000261363485 570788762 /nfs/dbraw/zinc/78/87/62/570788762.db2.gz SSHCCPOKKHHHIS-SFHVURJKSA-O 1 2 397.480 3.325 40 0 GGABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccsc1 ZINC000261366010 570789174 /nfs/dbraw/zinc/78/91/74/570789174.db2.gz WXQJCYLTMAOJRV-KRWDZBQOSA-O 1 2 385.494 3.224 40 0 GGABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(C)ccc1C ZINC000261366461 570789218 /nfs/dbraw/zinc/78/92/18/570789218.db2.gz ZXAQYJPCMUECNU-HXUWFJFHSA-O 1 2 393.492 3.389 40 0 GGABLO COc1ccc(NC(=O)C[NH+]2CCC(C(=O)c3ccc(OC)cc3)CC2)cc1 ZINC000014325068 570882346 /nfs/dbraw/zinc/88/23/46/570882346.db2.gz MGMOXUTZEPYXTJ-UHFFFAOYSA-N 1 2 382.460 3.237 40 0 GGABLO Cc1cc(C[NH+]2CCN(Cc3cc(=O)oc4cc(C)c(Cl)cc34)CC2)on1 ZINC000022252160 570884826 /nfs/dbraw/zinc/88/48/26/570884826.db2.gz DPGJCLHMEBSCGU-UHFFFAOYSA-N 1 2 387.867 3.369 40 0 GGABLO C[NH+](C)Cc1cc(C2CCN(C(=O)CCOc3ccc(Cl)cc3)CC2)n[nH]1 ZINC000019708932 570898589 /nfs/dbraw/zinc/89/85/89/570898589.db2.gz FPVIHZRTYQDZMC-UHFFFAOYSA-N 1 2 390.915 3.300 40 0 GGABLO O=C(CSC1=Nc2ccccc2CS1)N1CCN(c2cccc[nH+]2)CC1 ZINC000023078374 570902090 /nfs/dbraw/zinc/90/20/90/570902090.db2.gz ZEWBYNKDBAGEQN-UHFFFAOYSA-N 1 2 384.530 3.398 40 0 GGABLO CCCCNC(=O)C[NH+]1CCN([C@@H](C)c2nc3ccccc3n2C(F)F)CC1 ZINC000096941531 570911639 /nfs/dbraw/zinc/91/16/39/570911639.db2.gz PSGBDOBVSCCIST-HNNXBMFYSA-N 1 2 393.482 3.026 40 0 GGABLO O=C(C[N@@H+]1CCc2sccc2C1)N1c2ccccc2NC(=O)C12CCCC2 ZINC000045727673 570995661 /nfs/dbraw/zinc/99/56/61/570995661.db2.gz OPENICLAMJDPLF-UHFFFAOYSA-N 1 2 381.501 3.404 40 0 GGABLO O=C(C[N@H+]1CCc2sccc2C1)N1c2ccccc2NC(=O)C12CCCC2 ZINC000045727673 570995663 /nfs/dbraw/zinc/99/56/63/570995663.db2.gz OPENICLAMJDPLF-UHFFFAOYSA-N 1 2 381.501 3.404 40 0 GGABLO COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(C[NH+]2CCCC2)o1 ZINC000008343292 1398824517 /nfs/dbraw/zinc/82/45/17/1398824517.db2.gz YUFLOFLCOOWFQS-UHFFFAOYSA-N 1 2 396.900 3.367 40 0 GGABLO CC(C)N(C(=O)COC(=O)c1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000022358740 1399457047 /nfs/dbraw/zinc/45/70/47/1399457047.db2.gz IUPAVDYETIDANK-UHFFFAOYSA-N 1 2 396.487 3.117 40 0 GGABLO CCOc1ccc([C@H]([NH3+])c2nc(COc3ccc(OC)cc3)n[nH]2)cc1OCC ZINC000095534546 1410315044 /nfs/dbraw/zinc/31/50/44/1410315044.db2.gz HRTMIIGEWFDKGP-FQEVSTJZSA-N 1 2 398.463 3.238 40 0 GGABLO CCOc1ccc([C@@H]([NH3+])c2nc(CNc3cccc(OC)c3)n[nH]2)cc1OCC ZINC000095534551 1410315312 /nfs/dbraw/zinc/31/53/12/1410315312.db2.gz WRXWKBHDPVDPKX-HXUWFJFHSA-N 1 2 397.479 3.271 40 0 GGABLO O=S(=O)(c1ccccc1)N1C[C@H]2[C@@H](C[N@H+]2Cc2ccc(C(F)(F)F)cc2)C1 ZINC000107798105 1411412254 /nfs/dbraw/zinc/41/22/54/1411412254.db2.gz SEVGPOIDTPYZCU-YJBOKZPZSA-N 1 2 396.434 3.210 40 0 GGABLO O=S(=O)(c1ccccc1)N1C[C@H]2[C@@H](C[N@@H+]2Cc2ccc(C(F)(F)F)cc2)C1 ZINC000107798105 1411412262 /nfs/dbraw/zinc/41/22/62/1411412262.db2.gz SEVGPOIDTPYZCU-YJBOKZPZSA-N 1 2 396.434 3.210 40 0 GGABLO Cc1ccc(O[C@@H](C)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1C ZINC000408681110 231094555 /nfs/dbraw/zinc/09/45/55/231094555.db2.gz OZDGERHOLKEVCV-SFHVURJKSA-N 1 2 396.487 3.144 40 0 GGABLO Cc1ccc(C)n1-n1c(CN2CCC(C)CC2)nnc1C[NH+]1CCC(C)CC1 ZINC000225151264 222670744 /nfs/dbraw/zinc/67/07/44/222670744.db2.gz MTNVEFIMOOHWPS-UHFFFAOYSA-N 1 2 384.572 3.472 40 0 GGABLO Cc1[nH+]cc(-c2cncc(CC3CCN(C(=O)c4ccccc4)CC3)n2)n1C ZINC000257303974 222773119 /nfs/dbraw/zinc/77/31/19/222773119.db2.gz SJODNWPMBAKNGS-UHFFFAOYSA-N 1 2 375.476 3.280 40 0 GGABLO COc1ccc(-c2cnc3c(N4CC[NH+](Cc5ccoc5)CC4)nccn23)cc1 ZINC000306125754 222795051 /nfs/dbraw/zinc/79/50/51/222795051.db2.gz DBHQWWWWJJXTQK-UHFFFAOYSA-N 1 2 389.459 3.320 40 0 GGABLO COC(=O)[C@@H]1Cc2[nH+]cn(Cc3ccc(Cl)cc3)c2CN1Cc1cccnc1 ZINC000015707049 291127372 /nfs/dbraw/zinc/12/73/72/291127372.db2.gz QVJOUYRSIBYWQO-IBGZPJMESA-N 1 2 396.878 3.080 40 0 biogenic,in-vitro GGABLO C[C@H](O)c1onc(-c2cccs2)c1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000253395462 212136115 /nfs/dbraw/zinc/13/61/15/212136115.db2.gz BXWLLRDJLQNXGO-HNNXBMFYSA-N 1 2 397.500 3.414 40 0 biogenic,in-vitro GGABLO COc1cc([C@H]2NC(=O)CC[NH2+]2)cc(Br)c1OCc1ccccc1 ZINC000408738171 533123189 /nfs/dbraw/zinc/12/31/89/533123189.db2.gz QDEFPIKPOJRPFO-GOSISDBHSA-N 1 2 391.265 3.145 40 0 GGABLO Cc1ccc2cc([C@@H](c3nnnn3C(C)(C)C)[NH+]3CCCCC3)c(=O)[nH]c2c1C ZINC000004212246 220693400 /nfs/dbraw/zinc/69/34/00/220693400.db2.gz WLUNFMRQMKUAOM-IBGZPJMESA-N 1 2 394.523 3.462 40 0 GGABLO CC[N@H+](CC(=O)Nc1ccccc1Cc1ccccc1)CC(=O)NC(C)(C)C ZINC000007685008 221005428 /nfs/dbraw/zinc/00/54/28/221005428.db2.gz ZUCZPIPPDHVLSS-UHFFFAOYSA-N 1 2 381.520 3.453 40 0 GGABLO CC[N@@H+](CC(=O)Nc1ccccc1Cc1ccccc1)CC(=O)NC(C)(C)C ZINC000007685008 221005431 /nfs/dbraw/zinc/00/54/31/221005431.db2.gz ZUCZPIPPDHVLSS-UHFFFAOYSA-N 1 2 381.520 3.453 40 0 GGABLO C[N@H+](CC(=O)Nc1ccc(Br)cc1)Cc1ccc2c(c1)OCO2 ZINC000007639065 221003708 /nfs/dbraw/zinc/00/37/08/221003708.db2.gz YFYWJKPITFAOFX-UHFFFAOYSA-N 1 2 377.238 3.248 40 0 GGABLO C[N@@H+](CC(=O)Nc1ccc(Br)cc1)Cc1ccc2c(c1)OCO2 ZINC000007639065 221003711 /nfs/dbraw/zinc/00/37/11/221003711.db2.gz YFYWJKPITFAOFX-UHFFFAOYSA-N 1 2 377.238 3.248 40 0 GGABLO O=C(c1ccc(Cl)cc1)[C@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000007991592 221022780 /nfs/dbraw/zinc/02/27/80/221022780.db2.gz LSGCURXUUXADFZ-AKHDSKFASA-N 1 2 394.858 3.175 40 0 GGABLO O=C(c1ccc(Cl)cc1)[C@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000007991592 221022783 /nfs/dbraw/zinc/02/27/83/221022783.db2.gz LSGCURXUUXADFZ-AKHDSKFASA-N 1 2 394.858 3.175 40 0 GGABLO COc1cc(CCC(=O)NCCn2c(C)[nH+]c3ccccc32)cc(OC)c1OC ZINC000008134585 221028224 /nfs/dbraw/zinc/02/82/24/221028224.db2.gz KHLGVCUXKVOQQO-UHFFFAOYSA-N 1 2 397.475 3.120 40 0 GGABLO COc1ccc(Br)cc1C[N@H+](C)[C@@H](C)C(=O)Nc1cc(C)on1 ZINC000008530356 221043262 /nfs/dbraw/zinc/04/32/62/221043262.db2.gz OWECBZMDEUMPFX-NSHDSACASA-N 1 2 382.258 3.213 40 0 GGABLO COc1ccc(Br)cc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cc(C)on1 ZINC000008530356 221043264 /nfs/dbraw/zinc/04/32/64/221043264.db2.gz OWECBZMDEUMPFX-NSHDSACASA-N 1 2 382.258 3.213 40 0 GGABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)[NH+]1CCCC1 ZINC000008617356 221047205 /nfs/dbraw/zinc/04/72/05/221047205.db2.gz XYXJIFBZNJAWQF-GOSISDBHSA-N 1 2 380.496 3.153 40 0 GGABLO Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCc1cn2ccccc2[nH+]1 ZINC000010894458 221107993 /nfs/dbraw/zinc/10/79/93/221107993.db2.gz ZHEDXAFXICKBKO-UHFFFAOYSA-N 1 2 398.470 3.396 40 0 GGABLO CN(c1nc(S(=O)(=O)c2ccccc2)c(Cl)s1)C1CC[NH+](C)CC1 ZINC000009644847 221087967 /nfs/dbraw/zinc/08/79/67/221087967.db2.gz BHIFCRKLUXXYDX-UHFFFAOYSA-N 1 2 385.942 3.160 40 0 GGABLO O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc([NH+]4CCCCCC4)cc3)cc2[nH]1 ZINC000012147734 221160809 /nfs/dbraw/zinc/16/08/09/221160809.db2.gz QUIDVGCBHWGIIC-UHFFFAOYSA-N 1 2 386.477 3.037 40 0 GGABLO CC(=O)N1CCN(c2ccc([NH2+]Cc3cc4ccc(C)cc4[nH]c3=O)cc2)CC1 ZINC000012088276 221149662 /nfs/dbraw/zinc/14/96/62/221149662.db2.gz HMVOCXXNZMSXSZ-UHFFFAOYSA-N 1 2 390.487 3.117 40 0 GGABLO CCOC(=O)[C@]12CCC[C@H]1N(C(=O)Cn1c(C)[nH+]c3ccccc31)CC=CC2 ZINC000012089242 221149846 /nfs/dbraw/zinc/14/98/46/221149846.db2.gz AYNUVNANZUPTNA-DENIHFKCSA-N 1 2 381.476 3.235 40 0 GGABLO Cn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NCCc2ccc(F)cc2)C1 ZINC000012116440 221151660 /nfs/dbraw/zinc/15/16/60/221151660.db2.gz SYNFTWUARZTPFP-QGZVFWFLSA-N 1 2 380.467 3.288 40 0 GGABLO COc1ccc(NC(=O)C[NH+]2CCC3(CC2)CC(=O)c2cc(C)ccc2O3)cc1 ZINC000012113640 221151806 /nfs/dbraw/zinc/15/18/06/221151806.db2.gz COGJPELWZIEAOD-UHFFFAOYSA-N 1 2 394.471 3.442 40 0 GGABLO O=C(C[NH+]1CCC(O)(c2ccccn2)CC1)Nc1ccccc1C(F)(F)F ZINC000012114379 221151812 /nfs/dbraw/zinc/15/18/12/221151812.db2.gz DSINLUXRVMUZKZ-UHFFFAOYSA-N 1 2 379.382 3.023 40 0 GGABLO COc1cccc(NC(=O)C[NH+]2CCC3(CC2)CC(=O)c2ccccc2O3)c1 ZINC000012113635 221151978 /nfs/dbraw/zinc/15/19/78/221151978.db2.gz WWUGVCISYTYXBW-UHFFFAOYSA-N 1 2 380.444 3.134 40 0 GGABLO Cn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NCCc2cccc(F)c2)C1 ZINC000012116455 221152077 /nfs/dbraw/zinc/15/20/77/221152077.db2.gz FHCCGEPGZQUGJU-KRWDZBQOSA-N 1 2 380.467 3.288 40 0 GGABLO CCCc1[nH+]c2cc(NC(=O)COc3ncnc4ccccc43)ccc2n1C ZINC000012116909 221152155 /nfs/dbraw/zinc/15/21/55/221152155.db2.gz QTOCPGFNEYEDCQ-UHFFFAOYSA-N 1 2 375.432 3.487 40 0 GGABLO COc1ccccc1CNC(=O)[C@@H]1CCCN(c2[nH+]c3ccccc3n2C)C1 ZINC000012116436 221152337 /nfs/dbraw/zinc/15/23/37/221152337.db2.gz JEHGBWJRFWVFCE-QGZVFWFLSA-N 1 2 378.476 3.115 40 0 GGABLO O=C(C[NH+]1Cc2ccccc2C1)N1CCC[C@@H](c2ncncc2-c2ccncc2)C1 ZINC000012118537 221152795 /nfs/dbraw/zinc/15/27/95/221152795.db2.gz UVLNGCKPWXNUHR-OAQYLSRUSA-N 1 2 399.498 3.260 40 0 GGABLO CCCSc1ncc(C[N@@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)cn1 ZINC000012122256 221154374 /nfs/dbraw/zinc/15/43/74/221154374.db2.gz WYYGBBTVFVFETD-UHFFFAOYSA-N 1 2 394.504 3.095 40 0 GGABLO CCCSc1ncc(C[N@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)cn1 ZINC000012122256 221154377 /nfs/dbraw/zinc/15/43/77/221154377.db2.gz WYYGBBTVFVFETD-UHFFFAOYSA-N 1 2 394.504 3.095 40 0 GGABLO COc1ccccc1CCC(=O)N1Cc2ccccc2OC[C@H]1Cn1cc[nH+]c1 ZINC000012128229 221156250 /nfs/dbraw/zinc/15/62/50/221156250.db2.gz UAEUURHELWRMFN-HXUWFJFHSA-N 1 2 391.471 3.314 40 0 GGABLO COc1ccc(C[N@@H+]2Cc3ccccc3OC[C@H]2Cn2ccnc2)c(OC)c1 ZINC000012128390 221156620 /nfs/dbraw/zinc/15/66/20/221156620.db2.gz WPTRDUGGWGCQKS-LJQANCHMSA-N 1 2 379.460 3.364 40 0 GGABLO COc1ccc(C[N@H+]2Cc3ccccc3OC[C@H]2Cn2ccnc2)c(OC)c1 ZINC000012128390 221156621 /nfs/dbraw/zinc/15/66/21/221156621.db2.gz WPTRDUGGWGCQKS-LJQANCHMSA-N 1 2 379.460 3.364 40 0 GGABLO Cn1ccnc1[C@@H](O)c1ccccc1N1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000012143363 221158360 /nfs/dbraw/zinc/15/83/60/221158360.db2.gz LYVLCFYMZQGDTO-NRFANRHFSA-N 1 2 398.457 3.102 40 0 GGABLO Cc1cc(C)n(C[C@H](O)C[N@H+](Cc2ccco2)Cc2nc3ccccc3[nH]2)n1 ZINC000012147049 221160013 /nfs/dbraw/zinc/16/00/13/221160013.db2.gz QCZBXUJGYFXLOF-QGZVFWFLSA-N 1 2 379.464 3.033 40 0 GGABLO Cc1cc(C)n(C[C@H](O)C[N@@H+](Cc2ccco2)Cc2nc3ccccc3[nH]2)n1 ZINC000012147049 221160016 /nfs/dbraw/zinc/16/00/16/221160016.db2.gz QCZBXUJGYFXLOF-QGZVFWFLSA-N 1 2 379.464 3.033 40 0 GGABLO CCOC(=O)[C@H]1CCCN(c2nc(C)nc3c2C[N@H+](Cc2ccccc2)CC3)C1 ZINC000012183285 221162818 /nfs/dbraw/zinc/16/28/18/221162818.db2.gz GDQZQWSDJXHXCI-IBGZPJMESA-N 1 2 394.519 3.123 40 0 GGABLO CCOC(=O)[C@H]1CCCN(c2nc(C)nc3c2C[N@@H+](Cc2ccccc2)CC3)C1 ZINC000012183285 221162820 /nfs/dbraw/zinc/16/28/20/221162820.db2.gz GDQZQWSDJXHXCI-IBGZPJMESA-N 1 2 394.519 3.123 40 0 GGABLO COc1ccccc1C[N@@H+](Cc1ccnc(N2CCCC2)n1)C[C@H]1CCCO1 ZINC000012187607 221164961 /nfs/dbraw/zinc/16/49/61/221164961.db2.gz ICBJFIDDJDEXAE-HXUWFJFHSA-N 1 2 382.508 3.267 40 0 GGABLO COc1ccccc1C[N@H+](Cc1ccnc(N2CCCC2)n1)C[C@H]1CCCO1 ZINC000012187607 221164965 /nfs/dbraw/zinc/16/49/65/221164965.db2.gz ICBJFIDDJDEXAE-HXUWFJFHSA-N 1 2 382.508 3.267 40 0 GGABLO O=C(Cn1c(-c2ccc(F)cc2)cc2cccnc21)NCCCn1cc[nH+]c1 ZINC000012221862 221169110 /nfs/dbraw/zinc/16/91/10/221169110.db2.gz ZXTQUVIPZGHOJV-UHFFFAOYSA-N 1 2 377.423 3.245 40 0 GGABLO COc1ccc(NC(=O)C[N@H+]2CC=C(c3cc4nc(C)cc(C)n4n3)CC2)cc1 ZINC000012233089 221171565 /nfs/dbraw/zinc/17/15/65/221171565.db2.gz YDZVHILUXXZQJV-UHFFFAOYSA-N 1 2 391.475 3.083 40 0 GGABLO COc1ccc(NC(=O)C[N@@H+]2CC=C(c3cc4nc(C)cc(C)n4n3)CC2)cc1 ZINC000012233089 221171567 /nfs/dbraw/zinc/17/15/67/221171567.db2.gz YDZVHILUXXZQJV-UHFFFAOYSA-N 1 2 391.475 3.083 40 0 GGABLO C[N@@H+]1C[C@@H](NC(=O)NC2CCCCC2)C[C@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000012529979 221203256 /nfs/dbraw/zinc/20/32/56/221203256.db2.gz XNMQRCSHTKQLQG-IRXDYDNUSA-N 1 2 387.459 3.253 40 0 biogenic,in-vitro GGABLO C[N@H+]1C[C@@H](NC(=O)NC2CCCCC2)C[C@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000012529979 221203260 /nfs/dbraw/zinc/20/32/60/221203260.db2.gz XNMQRCSHTKQLQG-IRXDYDNUSA-N 1 2 387.459 3.253 40 0 biogenic,in-vitro GGABLO COc1ccc(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(OC)c1OC ZINC000012733650 221222367 /nfs/dbraw/zinc/22/23/67/221222367.db2.gz POROCOOLHOFSLK-CQSZACIVSA-N 1 2 381.432 3.389 40 0 GGABLO C[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccccc1OC(F)(F)F ZINC000012743924 221223944 /nfs/dbraw/zinc/22/39/44/221223944.db2.gz RKNBMQFZIJYCBY-UHFFFAOYSA-N 1 2 396.365 3.427 40 0 GGABLO C[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccccc1OC(F)(F)F ZINC000012743924 221223945 /nfs/dbraw/zinc/22/39/45/221223945.db2.gz RKNBMQFZIJYCBY-UHFFFAOYSA-N 1 2 396.365 3.427 40 0 GGABLO Cc1cc(C(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)c2ccccc2n1 ZINC000012950810 221250037 /nfs/dbraw/zinc/25/00/37/221250037.db2.gz KZJZVFFRERKRLL-LJQANCHMSA-N 1 2 381.501 3.408 40 0 GGABLO O=C(/C=C/c1ccc(N2CCCC2=O)cc1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000012986610 221253322 /nfs/dbraw/zinc/25/33/22/221253322.db2.gz UXSZCTCTLDTBTR-JXMROGBWSA-N 1 2 390.487 3.138 40 0 GGABLO O=C(CCSCc1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000013688039 221280667 /nfs/dbraw/zinc/28/06/67/221280667.db2.gz OFWRHXSKOHJDCW-UHFFFAOYSA-N 1 2 398.528 3.383 40 0 GGABLO Cc1ccc(NC(=O)[C@H]2C=C(O)NC(Nc3cccc(C(F)(F)F)c3)=[NH+]2)cc1 ZINC000014607663 221312987 /nfs/dbraw/zinc/31/29/87/221312987.db2.gz MDAAVSVFIMPYEF-OAHLLOKOSA-N 1 2 390.365 3.309 40 0 GGABLO O[C@@H]1C[C@@H](c2nc(-c3ccc(C(F)(F)F)cc3)no2)[N@H+](Cc2ccccn2)C1 ZINC000015674164 221338770 /nfs/dbraw/zinc/33/87/70/221338770.db2.gz GMNWSVLUPCZIGQ-CVEARBPZSA-N 1 2 390.365 3.458 40 0 biogenic,in-vitro GGABLO O[C@@H]1C[C@@H](c2nc(-c3ccc(C(F)(F)F)cc3)no2)[N@@H+](Cc2ccccn2)C1 ZINC000015674164 221338771 /nfs/dbraw/zinc/33/87/71/221338771.db2.gz GMNWSVLUPCZIGQ-CVEARBPZSA-N 1 2 390.365 3.458 40 0 biogenic,in-vitro GGABLO CC(C)NC(=O)N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000015675866 221338833 /nfs/dbraw/zinc/33/88/33/221338833.db2.gz UZCMUQRYWPINAG-HNNXBMFYSA-N 1 2 386.843 3.331 40 0 biogenic,in-vitro GGABLO CC(C)NC(=O)N1Cc2[nH]c[nH+]c2C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000015675866 221338835 /nfs/dbraw/zinc/33/88/35/221338835.db2.gz UZCMUQRYWPINAG-HNNXBMFYSA-N 1 2 386.843 3.331 40 0 biogenic,in-vitro GGABLO CC(=O)c1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000017305846 221381749 /nfs/dbraw/zinc/38/17/49/221381749.db2.gz LYEQKPNXMWBQHZ-OAHLLOKOSA-N 1 2 377.448 3.101 40 0 GGABLO CC(=O)c1ccc(NC(=O)C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000017305846 221381753 /nfs/dbraw/zinc/38/17/53/221381753.db2.gz LYEQKPNXMWBQHZ-OAHLLOKOSA-N 1 2 377.448 3.101 40 0 GGABLO CC(=O)c1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000017305847 221382421 /nfs/dbraw/zinc/38/24/21/221382421.db2.gz LYEQKPNXMWBQHZ-HNNXBMFYSA-N 1 2 377.448 3.101 40 0 GGABLO CC(=O)c1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000017305847 221382424 /nfs/dbraw/zinc/38/24/24/221382424.db2.gz LYEQKPNXMWBQHZ-HNNXBMFYSA-N 1 2 377.448 3.101 40 0 GGABLO CC(C)CNC(=O)CSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000016927350 221374024 /nfs/dbraw/zinc/37/40/24/221374024.db2.gz GIFGHRMBVSOMAC-CYBMUJFWSA-N 1 2 395.960 3.408 40 0 GGABLO COc1cccc(C[N@@H+]2CCCC[C@H]2c2ncc3c(n2)CCN(C(C)=O)C3)c1 ZINC000019018288 221393474 /nfs/dbraw/zinc/39/34/74/221393474.db2.gz KKEDRVQGBUINOF-NRFANRHFSA-N 1 2 380.492 3.117 40 0 GGABLO COc1cccc(C[N@H+]2CCCC[C@H]2c2ncc3c(n2)CCN(C(C)=O)C3)c1 ZINC000019018288 221393476 /nfs/dbraw/zinc/39/34/76/221393476.db2.gz KKEDRVQGBUINOF-NRFANRHFSA-N 1 2 380.492 3.117 40 0 GGABLO CC(=O)N1CCc2nc([C@@H]3CCCC[N@@H+]3CCOc3ccc(F)cc3)ncc2C1 ZINC000019018263 221393729 /nfs/dbraw/zinc/39/37/29/221393729.db2.gz FQMXYKWKRZQLFL-NRFANRHFSA-N 1 2 398.482 3.126 40 0 GGABLO CC(=O)N1CCc2nc([C@@H]3CCCC[N@H+]3CCOc3ccc(F)cc3)ncc2C1 ZINC000019018263 221393732 /nfs/dbraw/zinc/39/37/32/221393732.db2.gz FQMXYKWKRZQLFL-NRFANRHFSA-N 1 2 398.482 3.126 40 0 GGABLO CSc1nnc([C@@H]2CCCN2C(=O)[C@@H](C)n2c(C)[nH+]c3ccccc32)n1C ZINC000019286646 221403853 /nfs/dbraw/zinc/40/38/53/221403853.db2.gz MZRYRNJFSGJJQP-WBMJQRKESA-N 1 2 384.509 3.120 40 0 GGABLO COc1cc2c(cc1OC)[C@@H](c1ccncc1)[NH2+][C@@H](c1cccnc1OC)C2 ZINC000019550799 221424649 /nfs/dbraw/zinc/42/46/49/221424649.db2.gz SSFGZCXSKHHORP-WIYYLYMNSA-N 1 2 377.444 3.479 40 0 GGABLO Cc1nc(N[C@@H](C)C(=O)N2CCCCC2)cc(CCc2nc3ccccc3[nH]2)[nH+]1 ZINC000019655775 221436633 /nfs/dbraw/zinc/43/66/33/221436633.db2.gz PZXKBAUZCUABBA-HNNXBMFYSA-N 1 2 392.507 3.259 40 0 GGABLO Cc1cc2cccnc2c(NC(=O)COc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000019660168 221438362 /nfs/dbraw/zinc/43/83/62/221438362.db2.gz TYAKIXOIJNJQBU-UHFFFAOYSA-N 1 2 391.471 3.393 40 0 GGABLO Cc1noc(C)c1CC(=O)N1CCC[C@@H](c2ccc(-c3ccc(N)[nH+]c3)cn2)C1 ZINC000019689315 221439476 /nfs/dbraw/zinc/43/94/76/221439476.db2.gz GOZYWSXVPZDZEJ-GOSISDBHSA-N 1 2 391.475 3.279 40 0 GGABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[NH+]1CCN(c2ccccc2OC)CC1 ZINC000057669916 132454184 /nfs/dbraw/zinc/45/41/84/132454184.db2.gz YOPWWDUMMGJLCU-IBGZPJMESA-N 1 2 386.544 3.346 40 0 GGABLO O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000057711631 136153858 /nfs/dbraw/zinc/15/38/58/136153858.db2.gz YGTYHSPJAZEBLK-UHFFFAOYSA-N 1 2 395.522 3.429 40 0 GGABLO CSc1ccccc1NC(=O)[C@@H]1CCCN(c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000062022862 136156338 /nfs/dbraw/zinc/15/63/38/136156338.db2.gz ZBQBNXOENVEHOT-OAHLLOKOSA-N 1 2 394.504 3.239 40 0 GGABLO O=C(Nc1ccccc1Cl)[C@@H]1CCCN(c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000062022848 136156390 /nfs/dbraw/zinc/15/63/90/136156390.db2.gz RSVACEAJTXYLSQ-CQSZACIVSA-N 1 2 382.855 3.171 40 0 GGABLO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(Cl)cc2)C3)C[C@H](C)O1 ZINC000072347177 136168790 /nfs/dbraw/zinc/16/87/90/136168790.db2.gz DEGGGXLJLITIQC-KBPBESRZSA-N 1 2 388.899 3.008 40 0 GGABLO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(Cl)cc2)C3)C[C@H](C)O1 ZINC000072347177 136168791 /nfs/dbraw/zinc/16/87/91/136168791.db2.gz DEGGGXLJLITIQC-KBPBESRZSA-N 1 2 388.899 3.008 40 0 GGABLO Cc1ccc(CS(=O)(=O)N2CC[C@@]3(C2)CCCN(c2cccc[nH+]2)C3)cc1 ZINC000096216770 136185325 /nfs/dbraw/zinc/18/53/25/136185325.db2.gz TXZUXCCXVMHERN-NRFANRHFSA-N 1 2 385.533 3.212 40 0 GGABLO FC(F)(F)c1ccc(N2CC[NH+](Cc3nnc(-c4ccccc4)o3)CC2)nc1 ZINC000008153214 136195424 /nfs/dbraw/zinc/19/54/24/136195424.db2.gz ZAEXAKPLLFWSCH-UHFFFAOYSA-N 1 2 389.381 3.473 40 0 GGABLO Cc1cc(N2CCN(Cc3nc(-c4ccc(F)cc4)no3)CC2)nc(C(C)C)[nH+]1 ZINC000012552711 136200476 /nfs/dbraw/zinc/20/04/76/136200476.db2.gz ZAESWVUYDMCASU-UHFFFAOYSA-N 1 2 396.470 3.420 40 0 GGABLO CC(C)[C@@H](c1nnnn1CCc1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000013505435 136201057 /nfs/dbraw/zinc/20/10/57/136201057.db2.gz XNMHDGCLGGICEW-QFIPXVFZSA-N 1 2 390.535 3.435 40 0 GGABLO COc1ccc2[nH]c(=O)c(C[NH2+]c3ccc(N4CCC[C@@H](O)C4)cc3)cc2c1 ZINC000013563062 136201332 /nfs/dbraw/zinc/20/13/32/136201332.db2.gz PTEXXDPZEKLIAF-LJQANCHMSA-N 1 2 379.460 3.110 40 0 GGABLO CN(C)c1nc(N2CCCCC2)[nH+]cc1NC(=O)Nc1cc(F)cc(F)c1 ZINC000224144910 136206212 /nfs/dbraw/zinc/20/62/12/136206212.db2.gz NJCJZDQUKRCDBF-UHFFFAOYSA-N 1 2 376.411 3.455 40 0 GGABLO CN(C)c1nc(N2CCCCC2)[nH+]cc1NC(=O)Cc1c[nH]c2ccccc12 ZINC000224357042 136206807 /nfs/dbraw/zinc/20/68/07/136206807.db2.gz QOWZUWOZNJJYQZ-UHFFFAOYSA-N 1 2 378.480 3.195 40 0 GGABLO COc1cc2c(cc1OC)C[N@@H+]([C@H]1CC(=O)N(c3cc(C)cc(C)c3)C1=O)CC2 ZINC000022609145 221565637 /nfs/dbraw/zinc/56/56/37/221565637.db2.gz PJARLQAZMHELAN-IBGZPJMESA-N 1 2 394.471 3.011 40 0 GGABLO COc1cc2c(cc1OC)C[N@H+]([C@H]1CC(=O)N(c3cc(C)cc(C)c3)C1=O)CC2 ZINC000022609145 221565640 /nfs/dbraw/zinc/56/56/40/221565640.db2.gz PJARLQAZMHELAN-IBGZPJMESA-N 1 2 394.471 3.011 40 0 GGABLO O=C(CN1CC[NH+](Cc2ccc(Cl)cc2)CC1)Nc1ccc(F)cc1F ZINC000058146616 222041688 /nfs/dbraw/zinc/04/16/88/222041688.db2.gz NDMVKBUKDHFTGA-UHFFFAOYSA-N 1 2 379.838 3.375 40 0 GGABLO CCOC(=O)[C@@H](CC(=O)c1ccccc1)[NH2+]CCc1ccc(OC)c(OC)c1 ZINC000068606069 222170688 /nfs/dbraw/zinc/17/06/88/222170688.db2.gz SKMLOBYVHJTTIN-GOSISDBHSA-N 1 2 385.460 3.041 40 0 GGABLO O=C(c1ccc(-c2nc3ccccc3s2)o1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000069292112 222173688 /nfs/dbraw/zinc/17/36/88/222173688.db2.gz KZWIKUHZITWLSL-OAHLLOKOSA-N 1 2 397.500 3.493 40 0 GGABLO O=C(N1CC[NH+](Cc2ccc(F)cc2)CC1)C1(c2ccccc2)CCOCC1 ZINC000072265154 222218018 /nfs/dbraw/zinc/21/80/18/222218018.db2.gz MYFVEPJGGMWRGX-UHFFFAOYSA-N 1 2 382.479 3.218 40 0 GGABLO O=C(c1ccc(-c2ccc(=O)[nH]c2)s1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000072260062 222218675 /nfs/dbraw/zinc/21/86/75/222218675.db2.gz OHVZWHWSOLDJCW-UHFFFAOYSA-N 1 2 379.485 3.061 40 0 GGABLO COc1ccc([C@@H](NC(=O)[C@@H](OC)c2ccccc2)c2[nH+]ccn2C)cc1OC ZINC000072346352 222233358 /nfs/dbraw/zinc/23/33/58/222233358.db2.gz NHZZUZGVAZOGKU-UXHICEINSA-N 1 2 395.459 3.031 40 0 GGABLO COc1cc(C[N@H+]2C[C@@H]3C(c4ccccc4F)=NO[C@@H]3C2)cc(OC)c1OC ZINC000072343302 222233552 /nfs/dbraw/zinc/23/35/52/222233552.db2.gz GMDXETOODYBEMH-HNAYVOBHSA-N 1 2 386.423 3.086 40 0 GGABLO COc1cc(C[N@@H+]2C[C@@H]3C(c4ccccc4F)=NO[C@@H]3C2)cc(OC)c1OC ZINC000072343302 222233557 /nfs/dbraw/zinc/23/35/57/222233557.db2.gz GMDXETOODYBEMH-HNAYVOBHSA-N 1 2 386.423 3.086 40 0 GGABLO O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H](c2nccnc2-n2cc[nH+]c2)C1 ZINC000072350671 222237366 /nfs/dbraw/zinc/23/73/66/222237366.db2.gz SZXCXVMXUYLZNO-INIZCTEOSA-N 1 2 386.459 3.092 40 0 GGABLO COc1ccc(CCC(=O)N2CCC(c3nccnc3-n3cc[nH+]c3)CC2)cc1 ZINC000072350623 222238112 /nfs/dbraw/zinc/23/81/12/222238112.db2.gz YFMFYJUYVJZXTE-UHFFFAOYSA-N 1 2 391.475 3.010 40 0 GGABLO CCc1[nH+]ccn1-c1nccnc1[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000072350536 222238143 /nfs/dbraw/zinc/23/81/43/222238143.db2.gz JEWIJXTUWFEPPQ-INIZCTEOSA-N 1 2 379.439 3.384 40 0 GGABLO Nc1cc(-c2c[nH]nc2[C@@H]2CCCN(C(=O)CCc3ccccc3)C2)cc[nH+]1 ZINC000072357464 222238846 /nfs/dbraw/zinc/23/88/46/222238846.db2.gz CUXUVBICHZVREE-GOSISDBHSA-N 1 2 375.476 3.393 40 0 GGABLO COc1ccc(CCC(=O)N2CCC[C@@H](c3cncc(-n4cc[nH+]c4)n3)C2)cc1 ZINC000072355373 222239648 /nfs/dbraw/zinc/23/96/48/222239648.db2.gz UXIQHSLHXKKSJF-GOSISDBHSA-N 1 2 391.475 3.010 40 0 GGABLO CC(=O)Nc1ccc(Oc2nccnc2[C@H]2CCC[N@H+](Cc3ncc[nH]3)C2)cc1 ZINC000072362995 222241075 /nfs/dbraw/zinc/24/10/75/222241075.db2.gz MSYKQUIBMAANTB-INIZCTEOSA-N 1 2 392.463 3.330 40 0 GGABLO CC(=O)Nc1ccc(Oc2nccnc2[C@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)cc1 ZINC000072362995 222241076 /nfs/dbraw/zinc/24/10/76/222241076.db2.gz MSYKQUIBMAANTB-INIZCTEOSA-N 1 2 392.463 3.330 40 0 GGABLO CC(=O)Nc1ccc(Oc2nccnc2[C@H]2CCCN(Cc3[nH]cc[nH+]3)C2)cc1 ZINC000072362995 222241079 /nfs/dbraw/zinc/24/10/79/222241079.db2.gz MSYKQUIBMAANTB-INIZCTEOSA-N 1 2 392.463 3.330 40 0 GGABLO CCN(CC)S(=O)(=O)N1CC[C@@H](c2cc(Cc3ccccc3)cc(C)[nH+]2)C1 ZINC000072374758 222242526 /nfs/dbraw/zinc/24/25/26/222242526.db2.gz SJPUEAOGSBJOIC-HXUWFJFHSA-N 1 2 387.549 3.357 40 0 GGABLO CCc1[nH+]ccn1-c1cncc([C@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 ZINC000072378479 222244672 /nfs/dbraw/zinc/24/46/72/222244672.db2.gz UTJMIIBMDYYNCF-GOSISDBHSA-N 1 2 379.439 3.270 40 0 GGABLO COc1ccc(CC(=O)N2CCC[C@H](c3cccc(-n4cc[nH+]c4)n3)C2)cc1 ZINC000072378370 222245044 /nfs/dbraw/zinc/24/50/44/222245044.db2.gz VTKLJAUQNJWGKD-SFHVURJKSA-N 1 2 376.460 3.225 40 0 GGABLO COc1cccc(Oc2cc(C)nc([C@@H]3CC[N@H+](Cc4nccn4C)C3)n2)c1 ZINC000072384186 222247282 /nfs/dbraw/zinc/24/72/82/222247282.db2.gz KUEMJHJVQBIHRM-MRXNPFEDSA-N 1 2 379.464 3.309 40 0 GGABLO COc1cccc(Oc2cc(C)nc([C@@H]3CC[N@@H+](Cc4nccn4C)C3)n2)c1 ZINC000072384186 222247285 /nfs/dbraw/zinc/24/72/85/222247285.db2.gz KUEMJHJVQBIHRM-MRXNPFEDSA-N 1 2 379.464 3.309 40 0 GGABLO COc1cccc(Oc2cc(C)nc([C@H]3CC[N@H+](Cc4nccn4C)C3)n2)c1 ZINC000072384187 222247568 /nfs/dbraw/zinc/24/75/68/222247568.db2.gz KUEMJHJVQBIHRM-INIZCTEOSA-N 1 2 379.464 3.309 40 0 GGABLO COc1cccc(Oc2cc(C)nc([C@H]3CC[N@@H+](Cc4nccn4C)C3)n2)c1 ZINC000072384187 222247571 /nfs/dbraw/zinc/24/75/71/222247571.db2.gz KUEMJHJVQBIHRM-INIZCTEOSA-N 1 2 379.464 3.309 40 0 GGABLO CCC(=O)N1CCC[C@H](c2[nH]c3ncccc3c2C[NH+]2CCN(C(C)C)CC2)C1 ZINC000072395286 222252096 /nfs/dbraw/zinc/25/20/96/222252096.db2.gz ZRJHCZQEOVJNDP-SFHVURJKSA-N 1 2 397.567 3.205 40 0 GGABLO CC(C)(C)c1ccc(C(=O)N2CCCSC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000085473326 222324176 /nfs/dbraw/zinc/32/41/76/222324176.db2.gz ORJWZAOXFVGLML-LJQANCHMSA-N 1 2 376.566 3.264 40 0 GGABLO Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)Cc2cn3cccc(C)c3[nH+]2)c1 ZINC000084210768 222315262 /nfs/dbraw/zinc/31/52/62/222315262.db2.gz QBXXYZCDYNNNMA-GOSISDBHSA-N 1 2 394.500 3.034 40 0 GGABLO COc1ccc(C[N@H+]2Cc3nnn(C)c3[C@@H](COCc3ccccc3)C2)cc1 ZINC000096086942 222379020 /nfs/dbraw/zinc/37/90/20/222379020.db2.gz DHHPGBZOIBWHCL-LJQANCHMSA-N 1 2 378.476 3.140 40 0 GGABLO COc1ccc(C[N@@H+]2Cc3nnn(C)c3[C@@H](COCc3ccccc3)C2)cc1 ZINC000096086942 222379021 /nfs/dbraw/zinc/37/90/21/222379021.db2.gz DHHPGBZOIBWHCL-LJQANCHMSA-N 1 2 378.476 3.140 40 0 GGABLO CC(C)c1nc(-c2cc(C(=O)NCC[NH+]3CCOCC3)c3ccccn23)cs1 ZINC000096154826 222391570 /nfs/dbraw/zinc/39/15/70/222391570.db2.gz BWIOBIGKDBFCMV-UHFFFAOYSA-N 1 2 398.532 3.248 40 0 GGABLO O=C(NCc1ccco1)C1=NO[C@@]2(CC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000096225875 222399848 /nfs/dbraw/zinc/39/98/48/222399848.db2.gz FYNFGJHZYGIACI-IBGZPJMESA-N 1 2 391.830 3.109 40 0 GGABLO O=C(NCc1ccco1)C1=NO[C@@]2(CC[N@H+](Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000096225875 222399851 /nfs/dbraw/zinc/39/98/51/222399851.db2.gz FYNFGJHZYGIACI-IBGZPJMESA-N 1 2 391.830 3.109 40 0 GGABLO COC(=O)c1c(NC(=O)/C=C/c2ccc(OC)cc2)sc2c1CC[N@H+](C)C2 ZINC000408564488 533700231 /nfs/dbraw/zinc/70/02/31/533700231.db2.gz DFGPLYNBNRLOMA-RMKNXTFCSA-N 1 2 386.473 3.183 40 0 GGABLO COC(=O)c1c(NC(=O)/C=C/c2ccc(OC)cc2)sc2c1CC[N@@H+](C)C2 ZINC000408564488 533700239 /nfs/dbraw/zinc/70/02/39/533700239.db2.gz DFGPLYNBNRLOMA-RMKNXTFCSA-N 1 2 386.473 3.183 40 0 GGABLO COc1ccc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1OC(F)F ZINC000049309475 518145133 /nfs/dbraw/zinc/14/51/33/518145133.db2.gz XMYUAMAXNWYERW-UHFFFAOYSA-N 1 2 387.386 3.471 40 0 GGABLO CCOc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000408593186 528577443 /nfs/dbraw/zinc/57/74/43/528577443.db2.gz LUMTWETVLIQPTB-UHFFFAOYSA-N 1 2 394.924 3.245 40 0 GGABLO CC[NH+]1CCN(C(=O)C(=O)c2c(-c3ccc(F)cc3)cc3ccccn32)CC1 ZINC000408675351 529122831 /nfs/dbraw/zinc/12/28/31/529122831.db2.gz HTPXOTBDAYJYCZ-UHFFFAOYSA-N 1 2 379.435 3.092 40 0 GGABLO COc1ccc2c(c1)cc(C[NH2+]c1ccc(N3CCC[C@@H](O)C3)cc1)c(=O)n2C ZINC000013564245 537015330 /nfs/dbraw/zinc/01/53/30/537015330.db2.gz ZZUPBDGZNULFQI-HXUWFJFHSA-N 1 2 393.487 3.120 40 0 GGABLO COc1ccccc1N1CC[NH2+][C@@H](Cc2ccccc2Br)C1=O ZINC000072390206 537073194 /nfs/dbraw/zinc/07/31/94/537073194.db2.gz YNPHEWZBILGPMO-HNNXBMFYSA-N 1 2 375.266 3.005 40 0 GGABLO Cc1ccsc1C[N@@H+]1CCC[C@H](C2=NS(=O)(=O)c3ccccc3N2)C1 ZINC000019238623 564303058 /nfs/dbraw/zinc/30/30/58/564303058.db2.gz OPUAVIKINMWSQQ-AWEZNQCLSA-N 1 2 375.519 3.481 40 0 GGABLO Cc1ccsc1C[N@H+]1CCC[C@H](C2=NS(=O)(=O)c3ccccc3N2)C1 ZINC000019238623 564303062 /nfs/dbraw/zinc/30/30/62/564303062.db2.gz OPUAVIKINMWSQQ-AWEZNQCLSA-N 1 2 375.519 3.481 40 0 GGABLO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2nn(-c3ccccc3)c(=S)s2)CC1 ZINC000021128468 564309351 /nfs/dbraw/zinc/30/93/51/564309351.db2.gz FJZQGMJBXPTVDR-CYBMUJFWSA-N 1 2 394.591 3.308 40 0 GGABLO CC[NH+](CC)[C@H](CNS(=O)(=O)N1CCCCCC1)c1ccccc1Cl ZINC000022412532 564317286 /nfs/dbraw/zinc/31/72/86/564317286.db2.gz IQFSJIRAEZJELO-GOSISDBHSA-N 1 2 387.977 3.433 40 0 GGABLO COc1ccccc1[C@@H](NC(=O)c1ccc(Br)o1)c1[nH+]ccn1C ZINC000022750186 564318795 /nfs/dbraw/zinc/31/87/95/564318795.db2.gz SCVAUCFJKIXKJL-OAHLLOKOSA-N 1 2 390.237 3.304 40 0 GGABLO O=C(CN1CC[NH+](Cc2ccsc2)CC1)Nc1ccc(Br)cc1 ZINC000022912694 564319936 /nfs/dbraw/zinc/31/99/36/564319936.db2.gz ZORUUEDXWIYACQ-UHFFFAOYSA-N 1 2 394.338 3.267 40 0 GGABLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc(Br)c[nH]1)c1cccc(F)c1 ZINC000024016162 564328899 /nfs/dbraw/zinc/32/88/99/564328899.db2.gz AEPNJXZTFLMLMI-CQSZACIVSA-N 1 2 377.217 3.169 40 0 GGABLO O=C(C[NH+]1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1)Nc1nccs1 ZINC000035291785 564415268 /nfs/dbraw/zinc/41/52/68/564415268.db2.gz VMHVBNZKZISNLX-UHFFFAOYSA-N 1 2 375.885 3.491 40 0 GGABLO CN1CC[NH+]([C@@H](CNC(=O)CCCc2cccs2)c2cccs2)CC1 ZINC000040039573 564425314 /nfs/dbraw/zinc/42/53/14/564425314.db2.gz NFWZWFORJMGFPH-KRWDZBQOSA-N 1 2 377.579 3.237 40 0 GGABLO O=C(C[NH+](C[C@@H]1CCCO1)C[C@@H]1CCCO1)Nc1ccccc1Br ZINC000048375390 564538420 /nfs/dbraw/zinc/53/84/20/564538420.db2.gz WYGJIACOSWHHLB-GJZGRUSLSA-N 1 2 397.313 3.048 40 0 GGABLO [NH3+][C@@H](c1nnc(-c2ccc(I)cc2)[nH]1)c1ccc(F)cc1 ZINC000095533298 564900429 /nfs/dbraw/zinc/90/04/29/564900429.db2.gz UCQOPDHCHMICHW-CYBMUJFWSA-N 1 2 394.191 3.264 40 0 GGABLO CC(C)N1CC[NH+](CCc2nc(-c3ccc(Br)cc3)no2)CC1 ZINC000390827914 565559210 /nfs/dbraw/zinc/55/92/10/565559210.db2.gz LZDPAYAMZWPZHO-UHFFFAOYSA-N 1 2 379.302 3.068 40 0 GGABLO CC[C@H](C)S(=O)(=O)N1CCC(Cc2cc(N3CCCCC3)nc(C)[nH+]2)CC1 ZINC000019758891 570216325 /nfs/dbraw/zinc/21/63/25/570216325.db2.gz INXDVPXYZQCFPM-INIZCTEOSA-N 1 2 394.585 3.158 40 0 GGABLO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000012795568 570217206 /nfs/dbraw/zinc/21/72/06/570217206.db2.gz MRINXMWZIVZGLO-MRXNPFEDSA-N 1 2 394.471 3.380 40 0 GGABLO O=C(C[N@@H+]1CC[C@@]2(CCCO2)[C@@H](O)C1)N1c2ccccc2Sc2ccccc21 ZINC000585266956 570233238 /nfs/dbraw/zinc/23/32/38/570233238.db2.gz ZBNFXSIUROAPOI-UNMCSNQZSA-N 1 2 396.512 3.432 40 0 GGABLO O=C(C[N@H+]1CC[C@@]2(CCCO2)[C@@H](O)C1)N1c2ccccc2Sc2ccccc21 ZINC000585266956 570233241 /nfs/dbraw/zinc/23/32/41/570233241.db2.gz ZBNFXSIUROAPOI-UNMCSNQZSA-N 1 2 396.512 3.432 40 0 GGABLO COc1ccc(SCC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1OC ZINC000020105175 570239662 /nfs/dbraw/zinc/23/96/62/570239662.db2.gz LEBXIVGRXWLMFV-UHFFFAOYSA-N 1 2 383.473 3.298 40 0 GGABLO O=C(NC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(Cl)c1 ZINC000020437120 570256060 /nfs/dbraw/zinc/25/60/60/570256060.db2.gz MWPAASCSLNUQSI-UHFFFAOYSA-N 1 2 389.908 3.299 40 0 GGABLO Cc1nc(Nc2ncccc2C)cc([C@@H]2CCCN2C(=O)C=Cc2c[nH]c[nH+]2)n1 ZINC000585290406 570258135 /nfs/dbraw/zinc/25/81/35/570258135.db2.gz ATTMPFRBBGGZMQ-DVBCCOPCSA-N 1 2 389.463 3.332 40 0 GGABLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@H](Cc2cccc(Nc3ccccn3)n2)C1 ZINC000585290470 570258539 /nfs/dbraw/zinc/25/85/39/570258539.db2.gz BPIPMCUMNZPLSO-OAGJVSPASA-N 1 2 388.475 3.438 40 0 GGABLO Cc1cccc(O[C@H](C)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1C ZINC000020456813 570259153 /nfs/dbraw/zinc/25/91/53/570259153.db2.gz CBGAKKKQPPOFER-GOSISDBHSA-N 1 2 396.487 3.144 40 0 GGABLO Cc1cnc(Nc2cc([C@@H]3CCN(C(=O)C=Cc4c[nH]c[nH+]4)C3)nc(C)n2)s1 ZINC000585290770 570259507 /nfs/dbraw/zinc/25/95/07/570259507.db2.gz FBPATSAAQILPGF-RDFMZFSFSA-N 1 2 395.492 3.046 40 0 GGABLO COc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1OC ZINC000020460934 570260724 /nfs/dbraw/zinc/26/07/24/570260724.db2.gz FNKNPESFFZPPCK-MRXNPFEDSA-N 1 2 384.476 3.027 40 0 GGABLO CCOC(=O)c1cccc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)c1C ZINC000020487514 570262381 /nfs/dbraw/zinc/26/23/81/570262381.db2.gz QCHTYWRNCYUZGS-UHFFFAOYSA-N 1 2 382.460 3.256 40 0 GGABLO COC(=O)c1ccc(C[N@@H+]2CCc3nc4cc(C(C)(C)C)[nH]n4c(=O)c3C2)cc1 ZINC000100141537 570267170 /nfs/dbraw/zinc/26/71/70/570267170.db2.gz BZUYPNKGQIWYFJ-UHFFFAOYSA-N 1 2 394.475 3.077 40 0 GGABLO COC(=O)c1ccc(C[N@H+]2CCc3nc4cc(C(C)(C)C)[nH]n4c(=O)c3C2)cc1 ZINC000100141537 570267173 /nfs/dbraw/zinc/26/71/73/570267173.db2.gz BZUYPNKGQIWYFJ-UHFFFAOYSA-N 1 2 394.475 3.077 40 0 GGABLO CC(C)CCN1C[NH+]=C2N[C@@H](c3cccnc3)n3c4ccccc4nc3N2C1 ZINC000020638655 570273831 /nfs/dbraw/zinc/27/38/31/570273831.db2.gz ZKPBQKLPWPPBFR-LJQANCHMSA-N 1 2 375.480 3.021 40 0 GGABLO c1ccc2c(c1)nc1n2C2(CCCCC2)NC2=[NH+]CN(Cc3cccnc3)CN12 ZINC000020676483 570275173 /nfs/dbraw/zinc/27/51/73/570275173.db2.gz PXYLQODJBYEUMO-UHFFFAOYSA-N 1 2 387.491 3.245 40 0 GGABLO O=C(CCn1cc[nH+]c1)NC[C@H]1CC[C@H](c2ncncc2-c2ccccn2)CC1 ZINC000100769213 570277254 /nfs/dbraw/zinc/27/72/54/570277254.db2.gz NUIUXIQHAXKYKU-HDICACEKSA-N 1 2 390.491 3.215 40 0 GGABLO COc1ccc(/C=C/C(=O)NCc2ccccc2-n2cc[nH+]c2)c(OC)c1OC ZINC000216313411 570298487 /nfs/dbraw/zinc/29/84/87/570298487.db2.gz JRTMCLLFLVLHIJ-PKNBQFBNSA-N 1 2 393.443 3.228 40 0 GGABLO COc1ccc(C[NH+]2CCN([C@H](C)C(=O)Nc3ccccc3C)CC2)cc1F ZINC000022056542 570303547 /nfs/dbraw/zinc/30/35/47/570303547.db2.gz MIWXQVJNFCMTDB-QGZVFWFLSA-N 1 2 385.483 3.288 40 0 GGABLO COc1ccc(CN2CC[NH+]([C@H](C)C(=O)Nc3ccccc3C)CC2)cc1F ZINC000022056542 570303548 /nfs/dbraw/zinc/30/35/48/570303548.db2.gz MIWXQVJNFCMTDB-QGZVFWFLSA-N 1 2 385.483 3.288 40 0 GGABLO CC(C)(C)OC(=O)NCc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)[nH+]c1 ZINC000072225562 570319392 /nfs/dbraw/zinc/31/93/92/570319392.db2.gz LUQYTKBEXIXWCX-UHFFFAOYSA-N 1 2 392.500 3.163 40 0 GGABLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000129897861 570325311 /nfs/dbraw/zinc/32/53/11/570325311.db2.gz QHOKZJZUEKJXDG-UHFFFAOYSA-N 1 2 396.422 3.302 40 0 GGABLO O=C(NCc1ccccc1C[NH+]1CCOCC1)Nc1nc2ccccc2s1 ZINC000022393825 570342800 /nfs/dbraw/zinc/34/28/00/570342800.db2.gz ZZCIZXYBJZCTJX-UHFFFAOYSA-N 1 2 382.489 3.450 40 0 GGABLO Cc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3[C@H]3CCC[N@@H+]32)cc1 ZINC000035380297 570365764 /nfs/dbraw/zinc/36/57/64/570365764.db2.gz TYIXOTSYIDPKQW-CGXNFDGLSA-N 1 2 388.467 3.139 40 0 GGABLO Cc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3[C@H]3CCC[N@H+]32)cc1 ZINC000035380297 570365765 /nfs/dbraw/zinc/36/57/65/570365765.db2.gz TYIXOTSYIDPKQW-CGXNFDGLSA-N 1 2 388.467 3.139 40 0 GGABLO COc1ccccc1N1CC[NH+]([C@@H](c2nnnn2C2CCCC2)C(C)C)CC1 ZINC000057669606 570367117 /nfs/dbraw/zinc/36/71/17/570367117.db2.gz MTKJZJPHKRLLAB-HXUWFJFHSA-N 1 2 384.528 3.316 40 0 GGABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000057669889 570367561 /nfs/dbraw/zinc/36/75/61/570367561.db2.gz PRCXEAIKTNTZLX-LJQANCHMSA-N 1 2 386.544 3.346 40 0 GGABLO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057670289 570367821 /nfs/dbraw/zinc/36/78/21/570367821.db2.gz CPZALNUVTAZDIR-VQTJNVASSA-N 1 2 398.555 3.132 40 0 GGABLO CC[C@@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057670576 570368194 /nfs/dbraw/zinc/36/81/94/570368194.db2.gz OTZOPORYMROEAX-FQEVSTJZSA-N 1 2 380.471 3.134 40 0 GGABLO O=C(CN1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)Nc1ccccc1Cl ZINC000022805127 570377664 /nfs/dbraw/zinc/37/76/64/570377664.db2.gz DINDSFDWLBVJGR-UHFFFAOYSA-N 1 2 385.895 3.031 40 0 GGABLO O=C(CCc1nc2ccccc2s1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000024060958 570378252 /nfs/dbraw/zinc/37/82/52/570378252.db2.gz MQETZJYYGKCVBP-IBGZPJMESA-N 1 2 395.528 3.419 40 0 GGABLO C[C@H]1[C@H](NC(=O)CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCC[C@@H]1C ZINC000022917724 570378899 /nfs/dbraw/zinc/37/88/99/570378899.db2.gz MDOOZNIYCLJUBZ-SQGPQFPESA-N 1 2 377.960 3.399 40 0 GGABLO C[C@H]1[C@H](NC(=O)C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)CCC[C@@H]1C ZINC000022917724 570378902 /nfs/dbraw/zinc/37/89/02/570378902.db2.gz MDOOZNIYCLJUBZ-SQGPQFPESA-N 1 2 377.960 3.399 40 0 GGABLO COc1ccccc1-n1nncc1CN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000090590530 570381020 /nfs/dbraw/zinc/38/10/20/570381020.db2.gz FYZNBGJWBMMZEZ-UHFFFAOYSA-N 1 2 397.910 3.247 40 0 GGABLO O=C(/C=C/c1cccc(C(F)(F)F)c1)NCc1ccc[nH+]c1N1CCOCC1 ZINC000032017803 570388212 /nfs/dbraw/zinc/38/82/12/570388212.db2.gz UHQSJCHKONSGGR-VOTSOKGWSA-N 1 2 391.393 3.267 40 0 GGABLO O=C(CCCn1c(=O)oc2ccccc21)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000025171563 570407887 /nfs/dbraw/zinc/40/78/87/570407887.db2.gz AHNHTIIETVMXBA-UHFFFAOYSA-N 1 2 376.416 3.258 40 0 GGABLO O=C(CN1CC[NH+](C/C=C/c2ccccc2)CC1)NCCCc1ccccc1 ZINC000023486841 570408046 /nfs/dbraw/zinc/40/80/46/570408046.db2.gz OKJHUYXKEZMQHJ-RIYZIHGNSA-N 1 2 377.532 3.066 40 0 GGABLO O=C(C[NH+]1CCN(C/C=C/c2ccccc2)CC1)NCCCc1ccccc1 ZINC000023486841 570408049 /nfs/dbraw/zinc/40/80/49/570408049.db2.gz OKJHUYXKEZMQHJ-RIYZIHGNSA-N 1 2 377.532 3.066 40 0 GGABLO CCOc1ccccc1N1CC[NH+]([C@@H](C)C(=O)NCc2ccccc2C)CC1 ZINC000025510916 570414977 /nfs/dbraw/zinc/41/49/77/570414977.db2.gz YNIUTIYAIHNQCL-IBGZPJMESA-N 1 2 381.520 3.221 40 0 GGABLO O=C(C[NH+]1CCC(O)(c2ccccc2F)CC1)Nc1nc2c(s1)CCCC2 ZINC000004967757 570420375 /nfs/dbraw/zinc/42/03/75/570420375.db2.gz RJDVXVKELUTPSK-UHFFFAOYSA-N 1 2 389.496 3.083 40 0 GGABLO COc1ccc(Cl)cc1NC(=O)Nc1c[nH+]c(N2CCCC2)nc1N(C)C ZINC000224142059 570423664 /nfs/dbraw/zinc/42/36/64/570423664.db2.gz XGIKONRASAHZEV-UHFFFAOYSA-N 1 2 390.875 3.449 40 0 GGABLO C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000044406322 570444341 /nfs/dbraw/zinc/44/43/41/570444341.db2.gz BRTWQVOPIKZIRP-KRWDZBQOSA-N 1 2 397.519 3.299 40 0 GGABLO C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000044406326 570444498 /nfs/dbraw/zinc/44/44/98/570444498.db2.gz BRTWQVOPIKZIRP-QGZVFWFLSA-N 1 2 397.519 3.299 40 0 GGABLO CN(C)c1nc(N2CCCC2)[nH+]cc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000224352043 570449984 /nfs/dbraw/zinc/44/99/84/570449984.db2.gz GOVUPWGIDHOTSW-UHFFFAOYSA-N 1 2 379.386 3.414 40 0 GGABLO CC[C@@H](c1nnnn1C1CCCC1)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000035290697 570457785 /nfs/dbraw/zinc/45/77/85/570457785.db2.gz AADZNTDHLUTMIG-IBGZPJMESA-N 1 2 384.528 3.066 40 0 GGABLO CC[C@H](c1nnnn1C(C)(C)CC)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000035290702 570458163 /nfs/dbraw/zinc/45/81/63/570458163.db2.gz NOAXXJUKRZZRRF-GOSISDBHSA-N 1 2 386.544 3.096 40 0 GGABLO CCCc1ccc(OCCNC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000223414194 570464967 /nfs/dbraw/zinc/46/49/67/570464967.db2.gz PMVMLOQASLSHKE-UHFFFAOYSA-N 1 2 382.504 3.280 40 0 GGABLO O=C(NCCOc1cccc2ccccc21)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000223509572 570469016 /nfs/dbraw/zinc/46/90/16/570469016.db2.gz HIXWVXXBMCSHSR-UHFFFAOYSA-N 1 2 390.483 3.481 40 0 GGABLO CCOc1ccc(CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1OCC ZINC000030755484 570495285 /nfs/dbraw/zinc/49/52/85/570495285.db2.gz UWTSHWULPNKIIJ-UHFFFAOYSA-N 1 2 398.503 3.246 40 0 GGABLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000030944717 570501919 /nfs/dbraw/zinc/50/19/19/570501919.db2.gz VLTGZZWUCJRRGP-QPJJXVBHSA-N 1 2 386.499 3.403 40 0 GGABLO COc1cc2c(cc1OC)C[N@@H+]([C@@H]1CC(=O)N(c3ccc(C)cc3C)C1=O)CC2 ZINC000007265999 570502283 /nfs/dbraw/zinc/50/22/83/570502283.db2.gz FEVMRZQZOPKIOU-LJQANCHMSA-N 1 2 394.471 3.011 40 0 GGABLO COc1cc2c(cc1OC)C[N@H+]([C@@H]1CC(=O)N(c3ccc(C)cc3C)C1=O)CC2 ZINC000007265999 570502284 /nfs/dbraw/zinc/50/22/84/570502284.db2.gz FEVMRZQZOPKIOU-LJQANCHMSA-N 1 2 394.471 3.011 40 0 GGABLO CCCc1ccc(OCCNC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000224345491 570510231 /nfs/dbraw/zinc/51/02/31/570510231.db2.gz QVAKIGDFUNEXCE-UHFFFAOYSA-N 1 2 382.504 3.280 40 0 GGABLO Cc1cc2cc([C@@H](c3nnnn3C3CCCC3)[NH+]3CCCC3)c(=O)[nH]c2cc1C ZINC000000893703 570512865 /nfs/dbraw/zinc/51/28/65/570512865.db2.gz ICNLZFYFSGRWQG-FQEVSTJZSA-N 1 2 392.507 3.432 40 0 GGABLO C[C@H]1CCCC[C@H]1NC(=O)Cn1c(C[NH+]2CCCCC2)nc2ccccc2c1=O ZINC000000920463 570537064 /nfs/dbraw/zinc/53/70/64/570537064.db2.gz OMUGRPAXPCUJSF-PKOBYXMFSA-N 1 2 396.535 3.077 40 0 GGABLO Cc1cc(Nc2ccc(F)cc2)nc(NC(=S)NCCCn2cc[nH+]c2)n1 ZINC000225205017 570556185 /nfs/dbraw/zinc/55/61/85/570556185.db2.gz XOTXPDTXVMPOGQ-UHFFFAOYSA-N 1 2 385.472 3.241 40 0 GGABLO Cc1ccc(CCC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1C ZINC000225225915 570557476 /nfs/dbraw/zinc/55/74/76/570557476.db2.gz UDXMVSKBYDZMFS-UHFFFAOYSA-N 1 2 380.488 3.309 40 0 GGABLO CN(C)C(=O)c1ccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000225455280 570575838 /nfs/dbraw/zinc/57/58/38/570575838.db2.gz SVIKOELKJJPTKS-UHFFFAOYSA-N 1 2 379.489 3.061 40 0 GGABLO CCOc1ccc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000038229596 570579227 /nfs/dbraw/zinc/57/92/27/570579227.db2.gz SUKSOBGOTJSRQR-UHFFFAOYSA-N 1 2 385.533 3.404 40 0 GGABLO COC1(C(=O)Nc2ccc(OCC[NH+]3CCOCC3)cc2)CCCCCC1 ZINC000225630630 570596131 /nfs/dbraw/zinc/59/61/31/570596131.db2.gz KBPWHHFBDBHTFB-UHFFFAOYSA-N 1 2 376.497 3.076 40 0 GGABLO CCOC1(C(=O)Nc2ccc(OCC[NH+]3CCOCC3)cc2)CCCCC1 ZINC000225709065 570606966 /nfs/dbraw/zinc/60/69/66/570606966.db2.gz DAJREMIVWBBNLC-UHFFFAOYSA-N 1 2 376.497 3.076 40 0 GGABLO CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000225738521 570611409 /nfs/dbraw/zinc/61/14/09/570611409.db2.gz XGOYVSRYCXYFFN-OAQYLSRUSA-N 1 2 378.513 3.322 40 0 GGABLO COc1ccc(C[N@@H+](Cc2cnc(SC)nc2)C[C@H]2CCCO2)c(OC)c1 ZINC000012187282 570621315 /nfs/dbraw/zinc/62/13/15/570621315.db2.gz RBQMKNUYBBSRII-GOSISDBHSA-N 1 2 389.521 3.397 40 0 GGABLO COc1ccc(C[N@H+](Cc2cnc(SC)nc2)C[C@H]2CCCO2)c(OC)c1 ZINC000012187282 570621316 /nfs/dbraw/zinc/62/13/16/570621316.db2.gz RBQMKNUYBBSRII-GOSISDBHSA-N 1 2 389.521 3.397 40 0 GGABLO Cc1cccc2cc([C@@H](c3nnnn3C(C)C)[NH+]3CCC(C)CC3)c(=O)[nH]c12 ZINC000004848711 570634714 /nfs/dbraw/zinc/63/47/14/570634714.db2.gz CKHWZJRPPFNRLO-IBGZPJMESA-N 1 2 380.496 3.225 40 0 GGABLO CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000044880648 570638076 /nfs/dbraw/zinc/63/80/76/570638076.db2.gz MAWZKQNRQOKVDV-KRWDZBQOSA-N 1 2 395.503 3.299 40 0 GGABLO CCOc1ccccc1NC(=O)C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000004908913 570647990 /nfs/dbraw/zinc/64/79/90/570647990.db2.gz LMRHWJOFSCICFA-UHFFFAOYSA-N 1 2 396.491 3.310 40 0 GGABLO Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2nnnn2C2CCCC2)cc1 ZINC000005738302 570664644 /nfs/dbraw/zinc/66/46/44/570664644.db2.gz STPPMFVQZYOBMF-CTXDPNEZSA-N 1 2 394.523 3.022 40 0 GGABLO Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2nnnn2C2CCCC2)cc1 ZINC000005738302 570664648 /nfs/dbraw/zinc/66/46/48/570664648.db2.gz STPPMFVQZYOBMF-CTXDPNEZSA-N 1 2 394.523 3.022 40 0 GGABLO CN(CC(=O)Nc1ccc(F)cc1)C(=O)C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000006880993 570676140 /nfs/dbraw/zinc/67/61/40/570676140.db2.gz DMUGJKHPLFFHEM-UHFFFAOYSA-N 1 2 377.847 3.008 40 0 GGABLO CN(CC(=O)Nc1ccc(F)cc1)C(=O)C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000006880993 570676144 /nfs/dbraw/zinc/67/61/44/570676144.db2.gz DMUGJKHPLFFHEM-UHFFFAOYSA-N 1 2 377.847 3.008 40 0 GGABLO CCSc1ncc(C[NH+]2CCC(NC(C)=O)(c3ccccc3F)CC2)cn1 ZINC000057822970 570704581 /nfs/dbraw/zinc/70/45/81/570704581.db2.gz OSWSYVINIIEEFG-UHFFFAOYSA-N 1 2 388.512 3.355 40 0 GGABLO COC(=O)c1c(NC(=O)COc2ccc(Cl)cc2)sc2c1CC[N@H+](C)C2 ZINC000004223572 570726873 /nfs/dbraw/zinc/72/68/73/570726873.db2.gz QRLKOFSWHDYKSL-UHFFFAOYSA-N 1 2 394.880 3.194 40 0 GGABLO COC(=O)c1c(NC(=O)COc2ccc(Cl)cc2)sc2c1CC[N@@H+](C)C2 ZINC000004223572 570726876 /nfs/dbraw/zinc/72/68/76/570726876.db2.gz QRLKOFSWHDYKSL-UHFFFAOYSA-N 1 2 394.880 3.194 40 0 GGABLO O=C(c1c[nH]nc1-c1ccc(Cl)cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000025402623 570748996 /nfs/dbraw/zinc/74/89/96/570748996.db2.gz CNTBKEWEPRSRBY-UHFFFAOYSA-N 1 2 381.867 3.083 40 0 GGABLO Cc1c(C[N@@H+]2CCO[C@@H](c3cccc(Cc4ccc(F)cc4)n3)C2)cnn1C ZINC000257219736 570762685 /nfs/dbraw/zinc/76/26/85/570762685.db2.gz DHYLMIYRZPEVOM-JOCHJYFZSA-N 1 2 380.467 3.427 40 0 GGABLO Cc1c(C[N@H+]2CCO[C@@H](c3cccc(Cc4ccc(F)cc4)n3)C2)cnn1C ZINC000257219736 570762688 /nfs/dbraw/zinc/76/26/88/570762688.db2.gz DHYLMIYRZPEVOM-JOCHJYFZSA-N 1 2 380.467 3.427 40 0 GGABLO Cc1[nH+]cc(-c2nccnc2[C@@H]2CCCN(C(=O)c3cc(F)cc(F)c3)C2)n1C ZINC000257221451 570763105 /nfs/dbraw/zinc/76/31/05/570763105.db2.gz DPBZSWCWWAVKNM-CQSZACIVSA-N 1 2 397.429 3.484 40 0 GGABLO Cc1noc(C)c1-c1cc(C)nc([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)n1 ZINC000257224244 570763526 /nfs/dbraw/zinc/76/35/26/570763526.db2.gz FAXXMCJTWYLBJV-KRWDZBQOSA-N 1 2 380.452 3.007 40 0 GGABLO CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000257232723 570765544 /nfs/dbraw/zinc/76/55/44/570765544.db2.gz GMCBXMIUPGOBAS-XKPYVIEYSA-N 1 2 394.519 3.125 40 0 GGABLO COc1cccc2c1OC(C)(C)[C@H]1CC3(C[NH+](Cc4[nH]cnc4C)C3)CO[C@H]21 ZINC000257233671 570765896 /nfs/dbraw/zinc/76/58/96/570765896.db2.gz GQEKPEAUMNWIPL-QFBILLFUSA-N 1 2 383.492 3.478 40 0 GGABLO Cc1ccc(NC(=O)C[N@@H+]2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)cc1 ZINC000257237274 570766956 /nfs/dbraw/zinc/76/69/56/570766956.db2.gz HFVBBYZVZHIFAH-GMAHTHKFSA-N 1 2 380.488 3.384 40 0 GGABLO Cc1ccc(NC(=O)C[N@H+]2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)cc1 ZINC000257237274 570766959 /nfs/dbraw/zinc/76/69/59/570766959.db2.gz HFVBBYZVZHIFAH-GMAHTHKFSA-N 1 2 380.488 3.384 40 0 GGABLO Nc1cc(-c2c[nH]nc2[C@@H]2CCN(C(=O)c3cc4ccc(F)cc4[nH]3)C2)cc[nH+]1 ZINC000257240889 570767981 /nfs/dbraw/zinc/76/79/81/570767981.db2.gz HVOZORKIBYBBLG-CQSZACIVSA-N 1 2 390.422 3.304 40 0 GGABLO O=C1NCC[N@@H+](Cc2cccc(F)c2)[C@@H]1Cc1ccc(-c2cccnc2)cc1 ZINC000257244390 570768965 /nfs/dbraw/zinc/76/89/65/570768965.db2.gz ILCAQOJCNNOSEJ-JOCHJYFZSA-N 1 2 375.447 3.431 40 0 GGABLO O=C1NCC[N@H+](Cc2cccc(F)c2)[C@@H]1Cc1ccc(-c2cccnc2)cc1 ZINC000257244390 570768967 /nfs/dbraw/zinc/76/89/67/570768967.db2.gz ILCAQOJCNNOSEJ-JOCHJYFZSA-N 1 2 375.447 3.431 40 0 GGABLO COc1ccc(-c2cccc([C@H]3C[N@H+](Cc4cnn(C)c4C)CCO3)n2)cc1 ZINC000257250882 570769975 /nfs/dbraw/zinc/76/99/75/570769975.db2.gz JOKLZJRUZDYLBY-JOCHJYFZSA-N 1 2 378.476 3.373 40 0 GGABLO COc1ccc(-c2cccc([C@H]3C[N@@H+](Cc4cnn(C)c4C)CCO3)n2)cc1 ZINC000257250882 570769981 /nfs/dbraw/zinc/76/99/81/570769981.db2.gz JOKLZJRUZDYLBY-JOCHJYFZSA-N 1 2 378.476 3.373 40 0 GGABLO CCc1ccccc1NC(=O)C[N@@H+]1CC[C@H](Oc2cccc(F)c2)[C@@](C)(O)C1 ZINC000257270049 570773427 /nfs/dbraw/zinc/77/34/27/570773427.db2.gz MSOMGIWUXCKULG-UNMCSNQZSA-N 1 2 386.467 3.231 40 0 GGABLO CCc1ccccc1NC(=O)C[N@H+]1CC[C@H](Oc2cccc(F)c2)[C@@](C)(O)C1 ZINC000257270049 570773432 /nfs/dbraw/zinc/77/34/32/570773432.db2.gz MSOMGIWUXCKULG-UNMCSNQZSA-N 1 2 386.467 3.231 40 0 GGABLO Cc1nc(N2CCC(c3c4cccnc4sc3C(=O)N(C)C)CC2)cc[nH+]1 ZINC000257270359 570773475 /nfs/dbraw/zinc/77/34/75/570773475.db2.gz MTWQHVNWLKLQDD-UHFFFAOYSA-N 1 2 381.505 3.481 40 0 GGABLO Cc1[nH+]cc(-c2nccnc2[C@H]2CCCN(C(=O)c3cccc(F)c3)C2)n1C ZINC000257276128 570774407 /nfs/dbraw/zinc/77/44/07/570774407.db2.gz NSLNZGHHIZCSIF-INIZCTEOSA-N 1 2 379.439 3.344 40 0 GGABLO CC[NH+]1CCN(c2nc(C)c3c(n2)C[C@H](c2cc(F)cc(F)c2)CC3=O)CC1 ZINC000009287192 570774871 /nfs/dbraw/zinc/77/48/71/570774871.db2.gz ACWLRXWEGLRQEL-HNNXBMFYSA-N 1 2 386.446 3.118 40 0 GGABLO Cc1noc(C)c1-c1cccc(C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)n1 ZINC000257282771 570775352 /nfs/dbraw/zinc/77/53/52/570775352.db2.gz OVFMGORMSKSTDQ-KRWDZBQOSA-N 1 2 379.464 3.031 40 0 GGABLO Cc1c(F)cccc1NC(=O)C[N@@H+]1CC[C@H](Oc2cccc(F)c2)[C@@](C)(O)C1 ZINC000257284965 570775575 /nfs/dbraw/zinc/77/55/75/570775575.db2.gz PFBRAVAHKDJSQQ-FPOVZHCZSA-N 1 2 390.430 3.116 40 0 GGABLO Cc1c(F)cccc1NC(=O)C[N@H+]1CC[C@H](Oc2cccc(F)c2)[C@@](C)(O)C1 ZINC000257284965 570775579 /nfs/dbraw/zinc/77/55/79/570775579.db2.gz PFBRAVAHKDJSQQ-FPOVZHCZSA-N 1 2 390.430 3.116 40 0 GGABLO Cc1[nH+]cc(-c2nccnc2C2CCN(C(=O)c3ccccc3F)CC2)n1C ZINC000257299092 570777769 /nfs/dbraw/zinc/77/77/69/570777769.db2.gz RORSSKNDUNPYFC-UHFFFAOYSA-N 1 2 379.439 3.344 40 0 GGABLO CCn1ncc(C[N@@H+]2CCO[C@H](c3cc(CCOc4ccccc4)n[nH]3)C2)c1C ZINC000257306152 570779033 /nfs/dbraw/zinc/77/90/33/570779033.db2.gz STDMCRVCZIKMGT-QFIPXVFZSA-N 1 2 395.507 3.130 40 0 GGABLO CCn1ncc(C[N@H+]2CCO[C@H](c3cc(CCOc4ccccc4)n[nH]3)C2)c1C ZINC000257306152 570779034 /nfs/dbraw/zinc/77/90/34/570779034.db2.gz STDMCRVCZIKMGT-QFIPXVFZSA-N 1 2 395.507 3.130 40 0 GGABLO Cc1cccc(C(=O)N2CCC(Cc3ccnc(-c4c[nH+]cn4C)c3)CC2)n1 ZINC000257314185 570780451 /nfs/dbraw/zinc/78/04/51/570780451.db2.gz UVRDEPZQWDPBJV-UHFFFAOYSA-N 1 2 375.476 3.280 40 0 GGABLO Cc1nc(C)c(C(=O)N2CCO[C@@H](c3cccc(-c4ccc(N)[nH+]c4)n3)C2)s1 ZINC000257317377 570780905 /nfs/dbraw/zinc/78/09/05/570780905.db2.gz VJNGKPHVEOXNER-QGZVFWFLSA-N 1 2 395.488 3.013 40 0 GGABLO C[C@H](COc1ccccc1)Nc1cc(-c2c3c(nn2C)CCCC3)[nH+]c(N)n1 ZINC000257324681 570781789 /nfs/dbraw/zinc/78/17/89/570781789.db2.gz WPRKDQQIUCOJMW-CQSZACIVSA-N 1 2 378.480 3.218 40 0 GGABLO Cc1[nH+]cc(-c2cncc([C@H]3CCCN(C(=O)c4cccc(F)c4)C3)n2)n1C ZINC000257334954 570783560 /nfs/dbraw/zinc/78/35/60/570783560.db2.gz YHZQTFYNAKONFF-INIZCTEOSA-N 1 2 379.439 3.344 40 0 GGABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1sccc1C ZINC000261362292 570787942 /nfs/dbraw/zinc/78/79/42/570787942.db2.gz CRAMGGYOVGHEFX-KRWDZBQOSA-O 1 2 385.494 3.142 40 0 GGABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1ccc(C)o1 ZINC000261362824 570788062 /nfs/dbraw/zinc/78/80/62/570788062.db2.gz FHVRVKGUJCVGCX-GOSISDBHSA-O 1 2 383.453 3.064 40 0 GGABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@H]2c1ccco1 ZINC000261364387 570788443 /nfs/dbraw/zinc/78/84/43/570788443.db2.gz LFHRVRWAIDKPTG-GOSISDBHSA-O 1 2 383.453 3.145 40 0 GGABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccc(Cl)c1 ZINC000261364984 570788753 /nfs/dbraw/zinc/78/87/53/570788753.db2.gz PCXNLRGKDYRTGY-GOSISDBHSA-O 1 2 399.883 3.425 40 0 GGABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1ccc(F)cc1 ZINC000261366007 570789123 /nfs/dbraw/zinc/78/91/23/570789123.db2.gz WWTRERPGZZRSHS-LJQANCHMSA-O 1 2 397.455 3.301 40 0 GGABLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000007437361 570843493 /nfs/dbraw/zinc/84/34/93/570843493.db2.gz ZIFNWRFKFCDMRS-HXUWFJFHSA-N 1 2 380.488 3.491 40 0 GGABLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000007437361 570843496 /nfs/dbraw/zinc/84/34/96/570843496.db2.gz ZIFNWRFKFCDMRS-HXUWFJFHSA-N 1 2 380.488 3.491 40 0 GGABLO Cc1ccc(OCCCC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000014400845 570891889 /nfs/dbraw/zinc/89/18/89/570891889.db2.gz WJXPZMZLWRMQQO-UHFFFAOYSA-N 1 2 396.487 3.227 40 0 GGABLO CCOc1ccc2nc(NC(=O)C[NH+]3CCN(c4ccccc4)CC3)sc2c1 ZINC000014753844 570896400 /nfs/dbraw/zinc/89/64/00/570896400.db2.gz OGMHFTCMRNSRJY-UHFFFAOYSA-N 1 2 396.516 3.456 40 0 GGABLO O=C(CCc1c[nH]c2ccccc12)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000022465338 570897855 /nfs/dbraw/zinc/89/78/55/570897855.db2.gz DNKUYVFYBGYMJC-IBGZPJMESA-N 1 2 383.517 3.352 40 0 GGABLO Cc1ccc(C)n1-n1c(CN2CCC[C@H](C)C2)nnc1C[N@@H+]1CCC[C@H](C)C1 ZINC000260574413 570920279 /nfs/dbraw/zinc/92/02/79/570920279.db2.gz YAKXJULGGVPWMB-ROUUACIJSA-N 1 2 384.572 3.472 40 0 GGABLO Cc1ccc(C)n1-n1c(CN2CCC[C@H](C)C2)nnc1C[N@H+]1CCC[C@H](C)C1 ZINC000260574413 570920282 /nfs/dbraw/zinc/92/02/82/570920282.db2.gz YAKXJULGGVPWMB-ROUUACIJSA-N 1 2 384.572 3.472 40 0 GGABLO CN(C)c1cccc(C(=O)N2C[C@@H]3c4[nH+]cc(-c5ccncc5)n4CC[C@@H]3C2)c1 ZINC000306124871 570936171 /nfs/dbraw/zinc/93/61/71/570936171.db2.gz CBDPQWBLXMVURZ-QUCCMNQESA-N 1 2 387.487 3.271 40 0 GGABLO c1csc(-c2ccc3c([C@@H]4C[N@H+](Cc5cccnc5)CCO4)nnn3c2)c1 ZINC000306125465 570936289 /nfs/dbraw/zinc/93/62/89/570936289.db2.gz CRZPKIVCKYFEQC-SFHVURJKSA-N 1 2 377.473 3.426 40 0 GGABLO c1csc(-c2ccc3c([C@@H]4C[N@@H+](Cc5cccnc5)CCO4)nnn3c2)c1 ZINC000306125465 570936293 /nfs/dbraw/zinc/93/62/93/570936293.db2.gz CRZPKIVCKYFEQC-SFHVURJKSA-N 1 2 377.473 3.426 40 0 GGABLO CN(C)c1cccc(C(=O)N2C[C@@H]3CCn4c(-c5ccncc5)c[nH+]c4[C@H]3C2)c1 ZINC000306124870 570936297 /nfs/dbraw/zinc/93/62/97/570936297.db2.gz CBDPQWBLXMVURZ-ICSRJNTNSA-N 1 2 387.487 3.271 40 0 GGABLO c1cc(C[N@@H+]2CCO[C@@H](c3nnn4cc(-c5cccnc5)ccc34)C2)cs1 ZINC000306125987 570936771 /nfs/dbraw/zinc/93/67/71/570936771.db2.gz DIIPOOHMENNWNH-LJQANCHMSA-N 1 2 377.473 3.426 40 0 GGABLO c1cc(C[N@H+]2CCO[C@@H](c3nnn4cc(-c5cccnc5)ccc34)C2)cs1 ZINC000306125987 570936773 /nfs/dbraw/zinc/93/67/73/570936773.db2.gz DIIPOOHMENNWNH-LJQANCHMSA-N 1 2 377.473 3.426 40 0 GGABLO CN1CC[N@H+](Cc2ccccn2)C[C@@H]1c1nnn2cc(-c3ccsc3)ccc12 ZINC000306126720 570937392 /nfs/dbraw/zinc/93/73/92/570937392.db2.gz FDGSDUZPYMKCOV-HXUWFJFHSA-N 1 2 390.516 3.342 40 0 GGABLO CN1CC[N@@H+](Cc2ccccn2)C[C@@H]1c1nnn2cc(-c3ccsc3)ccc12 ZINC000306126720 570937393 /nfs/dbraw/zinc/93/73/93/570937393.db2.gz FDGSDUZPYMKCOV-HXUWFJFHSA-N 1 2 390.516 3.342 40 0 GGABLO CN1CC[N@H+](Cc2ccccn2)C[C@H]1c1nnn2cc(-c3ccsc3)ccc12 ZINC000306126719 570937553 /nfs/dbraw/zinc/93/75/53/570937553.db2.gz FDGSDUZPYMKCOV-FQEVSTJZSA-N 1 2 390.516 3.342 40 0 GGABLO CN1CC[N@@H+](Cc2ccccn2)C[C@H]1c1nnn2cc(-c3ccsc3)ccc12 ZINC000306126719 570937558 /nfs/dbraw/zinc/93/75/58/570937558.db2.gz FDGSDUZPYMKCOV-FQEVSTJZSA-N 1 2 390.516 3.342 40 0 GGABLO Fc1cccc(-c2cnc3c(N4CC[NH+](Cc5ccoc5)CC4)nccn23)c1 ZINC000306128134 570937844 /nfs/dbraw/zinc/93/78/44/570937844.db2.gz GRAGSFTZPSLRLS-UHFFFAOYSA-N 1 2 377.423 3.451 40 0 GGABLO Cc1cccc(C[N@H+]2C[C@H]3[C@H](C2)c2cc(-c4ccoc4)ccc2S3(=O)=O)n1 ZINC000306128841 570938855 /nfs/dbraw/zinc/93/88/55/570938855.db2.gz HMKVHTWUSGWAAF-CTNGQTDRSA-N 1 2 380.469 3.405 40 0 GGABLO Cc1cccc(C[N@@H+]2C[C@H]3[C@H](C2)c2cc(-c4ccoc4)ccc2S3(=O)=O)n1 ZINC000306128841 570938858 /nfs/dbraw/zinc/93/88/58/570938858.db2.gz HMKVHTWUSGWAAF-CTNGQTDRSA-N 1 2 380.469 3.405 40 0 GGABLO Cc1cc(C(=O)N2Cc3ccccc3[C@@H](c3[nH+]ccn3Cc3cccnc3)C2)on1 ZINC000306130234 570939401 /nfs/dbraw/zinc/93/94/01/570939401.db2.gz IZPAUEAKPFZXRC-FQEVSTJZSA-N 1 2 399.454 3.411 40 0 GGABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@@H]2C[N@H+](Cc3cccnc3)C[C@H]21 ZINC000306131671 570939960 /nfs/dbraw/zinc/93/99/60/570939960.db2.gz KLTKUVILFAWYII-AZUAARDMSA-N 1 2 395.459 3.038 40 0 GGABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@@H]2C[N@@H+](Cc3cccnc3)C[C@H]21 ZINC000306131671 570939962 /nfs/dbraw/zinc/93/99/62/570939962.db2.gz KLTKUVILFAWYII-AZUAARDMSA-N 1 2 395.459 3.038 40 0 GGABLO CN1CC[N@H+](Cc2ccccn2)C[C@H]1c1nnn2cc(-c3ccccc3)ccc12 ZINC000306132262 570940389 /nfs/dbraw/zinc/94/03/89/570940389.db2.gz LDBMFNBNNUEBCM-QFIPXVFZSA-N 1 2 384.487 3.280 40 0 GGABLO CN1CC[N@@H+](Cc2ccccn2)C[C@H]1c1nnn2cc(-c3ccccc3)ccc12 ZINC000306132262 570940393 /nfs/dbraw/zinc/94/03/93/570940393.db2.gz LDBMFNBNNUEBCM-QFIPXVFZSA-N 1 2 384.487 3.280 40 0 GGABLO Cc1cccc(C[N@@H+]2C[C@H]3c4cc(-c5ccco5)ccc4S(=O)(=O)[C@H]3C2)n1 ZINC000306132984 570940491 /nfs/dbraw/zinc/94/04/91/570940491.db2.gz LYDHDLUXHAMZRU-RXVVDRJESA-N 1 2 380.469 3.405 40 0 GGABLO Cc1cccc(C[N@H+]2C[C@H]3c4cc(-c5ccco5)ccc4S(=O)(=O)[C@H]3C2)n1 ZINC000306132984 570940495 /nfs/dbraw/zinc/94/04/95/570940495.db2.gz LYDHDLUXHAMZRU-RXVVDRJESA-N 1 2 380.469 3.405 40 0 GGABLO Cc1cccc(C[N@@H+]2C[C@@H]3c4cc(-c5ccco5)ccc4S(=O)(=O)[C@@H]3C2)n1 ZINC000306132985 570940571 /nfs/dbraw/zinc/94/05/71/570940571.db2.gz LYDHDLUXHAMZRU-WIYYLYMNSA-N 1 2 380.469 3.405 40 0 GGABLO Cc1cccc(C[N@H+]2C[C@@H]3c4cc(-c5ccco5)ccc4S(=O)(=O)[C@@H]3C2)n1 ZINC000306132985 570940572 /nfs/dbraw/zinc/94/05/72/570940572.db2.gz LYDHDLUXHAMZRU-WIYYLYMNSA-N 1 2 380.469 3.405 40 0 GGABLO COc1cc(C[NH+]2CCN(C(=O)CCC3CCCC3)CC2)cc(OC)c1O ZINC000020084395 570940925 /nfs/dbraw/zinc/94/09/25/570940925.db2.gz NOJXBKOCXIZYDZ-UHFFFAOYSA-N 1 2 376.497 3.024 40 0 GGABLO CC(C)n1ccc(-c2nc(C(=O)NCCCn3cc[nH+]c3)c3ccccn32)c1 ZINC000306134752 570941498 /nfs/dbraw/zinc/94/14/98/570941498.db2.gz NXHHGRFJVCLBGQ-UHFFFAOYSA-N 1 2 376.464 3.400 40 0 GGABLO Fc1ccccc1C[NH+]1CCN(c2nccn3c(-c4ccncc4)cnc23)CC1 ZINC000306134250 570941576 /nfs/dbraw/zinc/94/15/76/570941576.db2.gz NHAONAYXGBJKPI-UHFFFAOYSA-N 1 2 388.450 3.253 40 0 GGABLO Cc1ncoc1C(=O)N1Cc2ccccc2[C@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000306137826 570943367 /nfs/dbraw/zinc/94/33/67/570943367.db2.gz RHLGXYUYYKACHN-HXUWFJFHSA-N 1 2 399.454 3.411 40 0 GGABLO COCCC(=O)N1Cc2ccccc2[C@H](c2[nH+]ccn2Cc2csc(C)n2)C1 ZINC000306139989 570944359 /nfs/dbraw/zinc/94/43/59/570944359.db2.gz UGDAOJQXFZKTNL-LJQANCHMSA-N 1 2 396.516 3.207 40 0 GGABLO COCc1cccc(-c2c[nH+]c3n2CCN(C(=O)c2sc(C)nc2C)CC3)c1 ZINC000585110993 570944543 /nfs/dbraw/zinc/94/45/43/570944543.db2.gz AGNKIAQKMRSOJK-UHFFFAOYSA-N 1 2 396.516 3.468 40 0 GGABLO O=C(c1ccc(F)c(Cl)c1)N1C[C@H]2OC[C@H](CNc3cccc[nH+]3)[C@H]2C1 ZINC000306140548 570944745 /nfs/dbraw/zinc/94/47/45/570944745.db2.gz UXBQURITKLERIU-JJRVBVJISA-N 1 2 375.831 3.073 40 0 GGABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]21 ZINC000306140941 570944773 /nfs/dbraw/zinc/94/47/73/570944773.db2.gz VHIUIIVMXVVIKV-ICSRJNTNSA-N 1 2 395.459 3.038 40 0 GGABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@@H]2C[N@@H+](Cc3ccncc3)C[C@@H]21 ZINC000306140941 570944778 /nfs/dbraw/zinc/94/47/78/570944778.db2.gz VHIUIIVMXVVIKV-ICSRJNTNSA-N 1 2 395.459 3.038 40 0 GGABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@H]2C[N@H+](Cc3ccco3)C[C@H]21 ZINC000306144704 570947116 /nfs/dbraw/zinc/94/71/16/570947116.db2.gz ZMONMGIHPSKXKS-IEBWSBKVSA-N 1 2 384.432 3.236 40 0 GGABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@H]2C[N@@H+](Cc3ccco3)C[C@H]21 ZINC000306144704 570947117 /nfs/dbraw/zinc/94/71/17/570947117.db2.gz ZMONMGIHPSKXKS-IEBWSBKVSA-N 1 2 384.432 3.236 40 0 GGABLO COc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000047539310 570963632 /nfs/dbraw/zinc/96/36/32/570963632.db2.gz GIXHPURENJVEKM-UHFFFAOYSA-N 1 2 397.903 3.276 40 0 GGABLO Cc1nc(C)n([C@@H](C)CC(=O)N2CCC[C@@H](c3[nH+]c(C)n4ccsc34)C2)n1 ZINC000019285645 570969718 /nfs/dbraw/zinc/96/97/18/570969718.db2.gz KEOIYNKAYKAOKW-BLLLJJGKSA-N 1 2 386.525 3.270 40 0 GGABLO COc1cc(C[N@H+](Cc2ccncc2)Cc2cnc(C)nc2)cc(OC)c1OC ZINC000019287166 570970103 /nfs/dbraw/zinc/97/01/03/570970103.db2.gz PHZNRAMOFKTDPF-UHFFFAOYSA-N 1 2 394.475 3.408 40 0 GGABLO COc1cc(C[N@@H+](Cc2ccncc2)Cc2cnc(C)nc2)cc(OC)c1OC ZINC000019287166 570970104 /nfs/dbraw/zinc/97/01/04/570970104.db2.gz PHZNRAMOFKTDPF-UHFFFAOYSA-N 1 2 394.475 3.408 40 0 GGABLO O=c1[nH]c(-c2cnccn2)nc2c1C[N@H+](Cc1ccc(Cl)c(Cl)c1)CC2 ZINC000019292959 570972817 /nfs/dbraw/zinc/97/28/17/570972817.db2.gz BROPMWNFUWGNDZ-UHFFFAOYSA-N 1 2 388.258 3.092 40 0 GGABLO O=c1[nH]c(-c2cnccn2)nc2c1C[N@@H+](Cc1ccc(Cl)c(Cl)c1)CC2 ZINC000019292959 570972818 /nfs/dbraw/zinc/97/28/18/570972818.db2.gz BROPMWNFUWGNDZ-UHFFFAOYSA-N 1 2 388.258 3.092 40 0 GGABLO O=C(C[N@H+]1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1)NCc1ccccc1 ZINC000019372659 570981145 /nfs/dbraw/zinc/98/11/45/570981145.db2.gz FNBYWAZJAOMCTC-QGZVFWFLSA-N 1 2 399.878 3.201 40 0 GGABLO O=C(C[N@@H+]1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1)NCc1ccccc1 ZINC000019372659 570981146 /nfs/dbraw/zinc/98/11/46/570981146.db2.gz FNBYWAZJAOMCTC-QGZVFWFLSA-N 1 2 399.878 3.201 40 0 GGABLO COc1ccc(C[N@@H+]2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)cc1 ZINC000019453699 570986099 /nfs/dbraw/zinc/98/60/99/570986099.db2.gz RRTRNPBQKVRJOL-UHFFFAOYSA-N 1 2 382.508 3.004 40 0 GGABLO COc1ccc(C[N@H+]2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)cc1 ZINC000019453699 570986105 /nfs/dbraw/zinc/98/61/05/570986105.db2.gz RRTRNPBQKVRJOL-UHFFFAOYSA-N 1 2 382.508 3.004 40 0 GGABLO CC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCOC2(C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000661012576 570988419 /nfs/dbraw/zinc/98/84/19/570988419.db2.gz KXKMQQVGKABAGE-RPVQJOFSSA-N 1 2 399.457 3.354 40 0 GGABLO CC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCOC2(C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000661012576 570988422 /nfs/dbraw/zinc/98/84/22/570988422.db2.gz KXKMQQVGKABAGE-RPVQJOFSSA-N 1 2 399.457 3.354 40 0 GGABLO CC[C@@H](Oc1ccccc1F)C(=O)N1C[C@H](C[NH+]2CCOCC2)c2ccccc21 ZINC000019499342 570991761 /nfs/dbraw/zinc/99/17/61/570991761.db2.gz FJNCPXMMWCNABN-LAUBAEHRSA-N 1 2 398.478 3.446 40 0 GGABLO CCc1[nH+]c2cc(NC(=O)c3ccnc(N4CCOCC4)c3)ccc2n1CC ZINC000019523222 570995942 /nfs/dbraw/zinc/99/59/42/570995942.db2.gz IXFNKSJKSYGMKM-UHFFFAOYSA-N 1 2 379.464 3.103 40 0 GGABLO CCOc1cc(CCC(=O)N2CCC[C@H](c3[nH+]c(C)n4ccsc34)C2)on1 ZINC000019532332 570999042 /nfs/dbraw/zinc/99/90/42/570999042.db2.gz JBPADNPWSLNPTI-AWEZNQCLSA-N 1 2 388.493 3.430 40 0 GGABLO Cc1noc2nc([C@@H]3CCCN(C(=O)Cn4cc[nH+]c4)C3)cc(C(F)(F)F)c12 ZINC000019563982 571006534 /nfs/dbraw/zinc/00/65/34/571006534.db2.gz LMWWTFJOWXONJK-GFCCVEGCSA-N 1 2 393.369 3.153 40 0 GGABLO CCn1ccnc1C[N@@H+]1Cc2ccccc2OC2(CCC(N(C)C(C)=O)CC2)C1 ZINC000019578157 571012229 /nfs/dbraw/zinc/01/22/29/571012229.db2.gz VXJQDTZVQOAMNQ-UHFFFAOYSA-N 1 2 396.535 3.457 40 0 GGABLO CCn1ccnc1C[N@H+]1Cc2ccccc2OC2(CCC(N(C)C(C)=O)CC2)C1 ZINC000019578157 571012233 /nfs/dbraw/zinc/01/22/33/571012233.db2.gz VXJQDTZVQOAMNQ-UHFFFAOYSA-N 1 2 396.535 3.457 40 0 GGABLO O=C(C[N@@H+]1CCC[C@H]1Cn1cccn1)Nc1ncc(Cc2ccccc2)s1 ZINC000019657908 571024429 /nfs/dbraw/zinc/02/44/29/571024429.db2.gz WMMSSHRPCWQXRW-KRWDZBQOSA-N 1 2 381.505 3.034 40 0 GGABLO O=C(C[N@H+]1CCC[C@H]1Cn1cccn1)Nc1ncc(Cc2ccccc2)s1 ZINC000019657908 571024431 /nfs/dbraw/zinc/02/44/31/571024431.db2.gz WMMSSHRPCWQXRW-KRWDZBQOSA-N 1 2 381.505 3.034 40 0 GGABLO COCCNC(=O)c1sc2ccccc2c1[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000019697862 571030586 /nfs/dbraw/zinc/03/05/86/571030586.db2.gz RBXUKAUBPFZRGV-INIZCTEOSA-N 1 2 376.522 3.307 40 0 GGABLO COCCNC(=O)c1sc2ccccc2c1[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000019697862 571030588 /nfs/dbraw/zinc/03/05/88/571030588.db2.gz RBXUKAUBPFZRGV-INIZCTEOSA-N 1 2 376.522 3.307 40 0 GGABLO Cc1cc2[nH]c(CCNC(=O)c3cnc(N4CCCCC4)nc3C)[nH+]c2cc1C ZINC000019714780 571036337 /nfs/dbraw/zinc/03/63/37/571036337.db2.gz NNLRNRYHSGTVBA-UHFFFAOYSA-N 1 2 392.507 3.241 40 0 GGABLO O=C(c1cnn2c1nccc2-c1ccccc1)N1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000019716846 571038977 /nfs/dbraw/zinc/03/89/77/571038977.db2.gz QBFPNEMROUQIFU-KRWDZBQOSA-N 1 2 386.459 3.145 40 0 GGABLO COc1ccccc1CC(=O)C[C@H]1c2c(cc3c(c2OC)OCO3)CC[N@H+]1C ZINC000020111879 1399342907 /nfs/dbraw/zinc/34/29/07/1399342907.db2.gz NTZXVTSTIPJQBD-KRWDZBQOSA-N 1 2 383.444 3.163 40 0 biogenic GGABLO COc1ccccc1CC(=O)C[C@H]1c2c(cc3c(c2OC)OCO3)CC[N@@H+]1C ZINC000020111879 1399342911 /nfs/dbraw/zinc/34/29/11/1399342911.db2.gz NTZXVTSTIPJQBD-KRWDZBQOSA-N 1 2 383.444 3.163 40 0 biogenic GGABLO C[C@@H](O)CNc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000028914802 1400210657 /nfs/dbraw/zinc/21/06/57/1400210657.db2.gz IKVWWMCFSKMDGB-GFCCVEGCSA-N 1 2 392.381 3.487 40 0 GGABLO CCOc1ccc([C@H]([NH3+])c2nc(CNc3cccc(OC)c3)n[nH]2)cc1OCC ZINC000095534550 1410315573 /nfs/dbraw/zinc/31/55/73/1410315573.db2.gz WRXWKBHDPVDPKX-FQEVSTJZSA-N 1 2 397.479 3.271 40 0 GGABLO COc1cc(C[N@@H+]2C[C@@H]3ON=C(c4ccccc4F)[C@H]3C2)cc(OC)c1OC ZINC000247874516 1433754389 /nfs/dbraw/zinc/75/43/89/1433754389.db2.gz GMDXETOODYBEMH-KXBFYZLASA-N 1 2 386.423 3.086 40 0 GGABLO COc1cc(C[N@H+]2C[C@@H]3ON=C(c4ccccc4F)[C@H]3C2)cc(OC)c1OC ZINC000247874516 1433754390 /nfs/dbraw/zinc/75/43/90/1433754390.db2.gz GMDXETOODYBEMH-KXBFYZLASA-N 1 2 386.423 3.086 40 0 GGABLO