smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(S(=O)(=O)Nc2ncc(C(=O)Nc3ccccc3C)cn2)cc1 ZINC000408535152 231053987 /nfs/dbraw/zinc/05/39/87/231053987.db2.gz YCKWJCUJUVCHRI-UHFFFAOYSA-N 0 1 382.445 3.147 40 0 GGABMN COC[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000408611190 231080226 /nfs/dbraw/zinc/08/02/26/231080226.db2.gz SJQGGAQAKUJVGW-CYBMUJFWSA-N 0 1 396.896 3.214 40 0 GGABMN O=C(NCc1ccccn1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 ZINC000408839906 231120015 /nfs/dbraw/zinc/12/00/15/231120015.db2.gz BHNNGLJQFPVJET-UHFFFAOYSA-N 0 1 386.499 3.334 40 0 GGABMN COCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000409380893 231198094 /nfs/dbraw/zinc/19/80/94/231198094.db2.gz JQNNIEWMVZFLCZ-UHFFFAOYSA-N 0 1 396.896 3.216 40 0 GGABMN O=c1c2c[nH]nc2nc(SCc2cn3ccsc3n2)n1-c1ccccc1 ZINC000004370322 204042141 /nfs/dbraw/zinc/04/21/41/204042141.db2.gz SUONEBKMCZBYCA-UHFFFAOYSA-N 0 1 380.458 3.110 40 0 GGABMN CCOC(=O)c1ccccc1NC(=O)CSc1nc2ccc(OC)cc2[nH]1 ZINC000003534333 204012416 /nfs/dbraw/zinc/01/24/16/204012416.db2.gz IJUGLVRJMCBFLF-UHFFFAOYSA-N 0 1 385.445 3.479 40 0 GGABMN COc1ccc2nc(S[C@@H](C)C(=O)NC(=O)NC3CCCCC3)[nH]c2c1 ZINC000004252464 204034443 /nfs/dbraw/zinc/03/44/43/204034443.db2.gz WYAUDYDNYWZHPC-NSHDSACASA-N 0 1 376.482 3.211 40 0 GGABMN O=C(/C=C/c1ccc(F)cc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000004865510 204084697 /nfs/dbraw/zinc/08/46/97/204084697.db2.gz WJCJCKBPLIJSDI-NYYWCZLTSA-N 0 1 398.419 3.068 40 0 GGABMN O=C(CCNC(=O)c1ccc(Cl)cc1)NC[C@@H](c1ccco1)N1CCCC1 ZINC000005704806 204147491 /nfs/dbraw/zinc/14/74/91/204147491.db2.gz RJXHOVYBFHLELO-KRWDZBQOSA-N 0 1 389.883 3.006 40 0 GGABMN COc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(C(=O)[O-])cc3)n2)cn1 ZINC000035425824 204195930 /nfs/dbraw/zinc/19/59/30/204195930.db2.gz APKKYIRZYPXOPM-INIZCTEOSA-N 0 1 380.404 3.176 40 0 biogenic,in-vitro GGABMN COc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(C(=O)[O-])cc3)n2)cn1 ZINC000035425824 204195934 /nfs/dbraw/zinc/19/59/34/204195934.db2.gz APKKYIRZYPXOPM-INIZCTEOSA-N 0 1 380.404 3.176 40 0 biogenic,in-vitro GGABMN C[C@H](OC(=O)c1ccccc1NS(C)(=O)=O)c1nnc(-c2cccs2)o1 ZINC000007814839 204252638 /nfs/dbraw/zinc/25/26/38/204252638.db2.gz PIPPNRIFQAJSSU-JTQLQIEISA-N 0 1 393.446 3.088 40 0 GGABMN COC(=O)C1C(CN2C[C@H](C)C[C@H](C)C2)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000008815948 204290878 /nfs/dbraw/zinc/29/08/78/204290878.db2.gz QMNXGBKRHCNDKP-MDOVXXIYSA-N 0 1 385.508 3.062 40 0 GGABMN CC(=O)N[C@@H](CC(=O)NC[C@@H](c1ccco1)N1CCCCC1)c1ccccc1 ZINC000008393962 204275583 /nfs/dbraw/zinc/27/55/83/204275583.db2.gz NNMSSRILSIHDNQ-PMACEKPBSA-N 0 1 383.492 3.190 40 0 GGABMN CC(=O)N[C@@H](CC(=O)NC[C@H](c1ccco1)N1CCCCC1)c1ccccc1 ZINC000008393967 204276017 /nfs/dbraw/zinc/27/60/17/204276017.db2.gz NNMSSRILSIHDNQ-VQTJNVASSA-N 0 1 383.492 3.190 40 0 GGABMN CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000009484032 204312427 /nfs/dbraw/zinc/31/24/27/204312427.db2.gz YPRRIPGDXMAQMK-NSHDSACASA-N 0 1 395.912 3.499 40 0 GGABMN COc1cn(CC(=O)Nc2cc(C)cc(C)c2)c(CN2CCCCCC2)cc1=O ZINC000009622042 204318580 /nfs/dbraw/zinc/31/85/80/204318580.db2.gz QQNZTEURXMDANE-UHFFFAOYSA-N 0 1 397.519 3.488 40 0 GGABMN CC(C)c1cc(C(=O)N2CCC[C@H](c3nc4ccccc4cc3C(N)=O)C2)n[nH]1 ZINC000012088382 204371350 /nfs/dbraw/zinc/37/13/50/204371350.db2.gz UBIPPNOKHRWKFW-HNNXBMFYSA-N 0 1 391.475 3.200 40 0 GGABMN O=C(NCCc1nc(-c2cccnc2)n[nH]1)[C@@H](c1ccccc1)C1CCCC1 ZINC000012114792 204371861 /nfs/dbraw/zinc/37/18/61/204371861.db2.gz XYPZHLVMXPLYJO-FQEVSTJZSA-N 0 1 375.476 3.499 40 0 GGABMN O=C(NCCc1n[nH]c(-c2cccnc2)n1)[C@@H](c1ccccc1)C1CCCC1 ZINC000012114792 204371865 /nfs/dbraw/zinc/37/18/65/204371865.db2.gz XYPZHLVMXPLYJO-FQEVSTJZSA-N 0 1 375.476 3.499 40 0 GGABMN COc1ccc(-c2n[nH]cc2CN(Cc2ccc3c(c2)OCO3)C[C@H](C)O)cc1 ZINC000012116730 204372956 /nfs/dbraw/zinc/37/29/56/204372956.db2.gz QMSYSSJPABCLID-HNNXBMFYSA-N 0 1 395.459 3.197 40 0 GGABMN C[C@H]1CCCN(c2nc3c(c(=O)[n-]2)C[N@H+](Cc2ccnc4ccccc24)CC3)C1 ZINC000012117879 204373297 /nfs/dbraw/zinc/37/32/97/204373297.db2.gz LVLCQLTVAWKZIE-INIZCTEOSA-N 0 1 389.503 3.113 40 0 GGABMN C[C@H]1CCCN(c2nc3c(c(=O)[n-]2)C[N@@H+](Cc2ccnc4ccccc24)CC3)C1 ZINC000012117879 204373300 /nfs/dbraw/zinc/37/33/00/204373300.db2.gz LVLCQLTVAWKZIE-INIZCTEOSA-N 0 1 389.503 3.113 40 0 GGABMN Cc1c(-c2ccccc2)n[nH]c1C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N(C)C ZINC000012147400 204377533 /nfs/dbraw/zinc/37/75/33/204377533.db2.gz ZUFUFPNIGVOINB-KRWDZBQOSA-N 0 1 392.459 3.147 40 0 GGABMN COc1cn(CC(=O)Nc2cc(C)ccc2C)c(CN2CCC(C)CC2)cc1=O ZINC000011027553 204341404 /nfs/dbraw/zinc/34/14/04/204341404.db2.gz IAPRITLEDSIENJ-UHFFFAOYSA-N 0 1 397.519 3.344 40 0 GGABMN COc1ccc2nc(CN(Cc3ccc4c(c3)OCO4)C[C@H](C)O)ccc2c1 ZINC000012147963 204377635 /nfs/dbraw/zinc/37/76/35/204377635.db2.gz IUMBTLNHMGPDOI-HNNXBMFYSA-N 0 1 380.444 3.355 40 0 GGABMN C[C@H](O)CN(Cc1ccc2c(c1)OCO2)Cc1cccc(Oc2ncccn2)c1 ZINC000012185841 204379126 /nfs/dbraw/zinc/37/91/26/204379126.db2.gz UBMWRXGGIMOAGW-INIZCTEOSA-N 0 1 393.443 3.381 40 0 GGABMN Cc1c(CN(Cc2ccc3c(c2)OCO3)C[C@H](C)O)cnn1Cc1ccccc1 ZINC000012185760 204379527 /nfs/dbraw/zinc/37/95/27/204379527.db2.gz YESGWKYSGFAZLI-KRWDZBQOSA-N 0 1 393.487 3.352 40 0 GGABMN COc1ccc(CN(Cc2ccc3c(c2)n(C)c(=O)n3C)C[C@@H]2CCCO2)cc1 ZINC000012187548 204380323 /nfs/dbraw/zinc/38/03/23/204380323.db2.gz STQWYQPCCSAHQH-FQEVSTJZSA-N 0 1 395.503 3.067 40 0 GGABMN CN(C)[C@@H](CNC(=O)c1cc(-c2cccs2)no1)c1ccc2c(c1)OCO2 ZINC000012203855 204383116 /nfs/dbraw/zinc/38/31/16/204383116.db2.gz HBRAGUZFZHKYTF-AWEZNQCLSA-N 0 1 385.445 3.165 40 0 GGABMN COc1ccc(-c2nc3n(c2NC(C)(C)C)CCN(C(=O)c2ccn[nH]2)C3)cc1 ZINC000012219871 204384419 /nfs/dbraw/zinc/38/44/19/204384419.db2.gz LKERFDZCZQJMRG-UHFFFAOYSA-N 0 1 394.479 3.148 40 0 GGABMN O=C(c1ccc2c(c1)OCCO2)N1CCC[C@H](c2[nH]ncc2-c2ccncc2)C1 ZINC000012221856 204385318 /nfs/dbraw/zinc/38/53/18/204385318.db2.gz UHYGDWXTKMCXNE-KRWDZBQOSA-N 0 1 390.443 3.263 40 0 GGABMN COc1cccc(OC)c1C[N@H+]1CC[C@@H](c2cc3nc(C)c(C)c(=O)n3[n-]2)C1 ZINC000012255227 204387922 /nfs/dbraw/zinc/38/79/22/204387922.db2.gz UMFZTCNJUFDUMF-OAHLLOKOSA-N 0 1 382.464 3.058 40 0 GGABMN CCc1c(C)nc2cc([C@@H]3CC[N@@H+](Cc4cc(OC)ccc4OC)C3)[n-]n2c1=O ZINC000012276368 204387966 /nfs/dbraw/zinc/38/79/66/204387966.db2.gz NCAUVDKRMIWZCQ-OAHLLOKOSA-N 0 1 396.491 3.312 40 0 GGABMN CCc1c(C)nc2cc([C@H]3CC[N@@H+](Cc4ccc(OC)c(OC)c4)C3)[n-]n2c1=O ZINC000012276375 204388158 /nfs/dbraw/zinc/38/81/58/204388158.db2.gz FMNWQYQMIPGRPD-INIZCTEOSA-N 0 1 396.491 3.312 40 0 GGABMN O[C@@H](CN1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1ccc(F)c(F)c1 ZINC000012293698 204388822 /nfs/dbraw/zinc/38/88/22/204388822.db2.gz MVPXJDIUQZXAOX-MOPGFXCFSA-N 0 1 375.415 3.349 40 0 GGABMN O[C@H](CN1CCC2(CC1)C[C@H](O)c1cc(F)ccc1O2)c1ccc(F)c(F)c1 ZINC000012293721 204389251 /nfs/dbraw/zinc/38/92/51/204389251.db2.gz QJQYOLPJRLNTCW-RBUKOAKNSA-N 0 1 393.405 3.488 40 0 GGABMN COc1ccc(OC)c(CN2CCC(c3noc(-c4ccc(=O)[nH]c4)n3)CC2)c1 ZINC000012328095 204399191 /nfs/dbraw/zinc/39/91/91/204399191.db2.gz YURKEBNBZOQGQK-UHFFFAOYSA-N 0 1 396.447 3.234 40 0 GGABMN COc1ccc(CN2CCC([C@@H](NC(C)=O)c3ccccn3)CC2)c(OC)c1 ZINC000019020544 204622279 /nfs/dbraw/zinc/62/22/79/204622279.db2.gz DSJMAFHYIDIQGE-JOCHJYFZSA-N 0 1 383.492 3.188 40 0 GGABMN Cc1ccc(CC(=O)NCc2ccc(-c3cc(CN(C)C)n(C)n3)cc2)cc1 ZINC000019210085 204629774 /nfs/dbraw/zinc/62/97/74/204629774.db2.gz AMEAHOZTEPVGQX-UHFFFAOYSA-N 0 1 376.504 3.316 40 0 GGABMN CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)CN1CCN(c2ccccn2)CC1 ZINC000037197662 205024341 /nfs/dbraw/zinc/02/43/41/205024341.db2.gz JTIIJRQPGWAMCM-DOIPELPJSA-N 0 1 375.557 3.042 40 0 GGABMN Nc1[nH]c(N2CCCC2)nc(=O)c1C(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000040385669 205063128 /nfs/dbraw/zinc/06/31/28/205063128.db2.gz OWMDBTNAWPOMGZ-UHFFFAOYSA-N 0 1 384.292 3.047 40 0 GGABMN O=S(=O)(c1ccc2ccccc2c1)N1CCN(C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000055378619 205146609 /nfs/dbraw/zinc/14/66/09/205146609.db2.gz HAOQEFNFJZOKDO-QMMLZNLJSA-N 0 1 382.529 3.358 40 0 GGABMN CCc1ccc([C@H](CNc2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)N(C)C)cc1 ZINC000060377926 205181157 /nfs/dbraw/zinc/18/11/57/205181157.db2.gz CKAJQDFVWJEBII-KRWDZBQOSA-N 0 1 382.512 3.152 40 0 GGABMN Cn1cc(CN2CCC[C@@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)cn1 ZINC000072330423 205326061 /nfs/dbraw/zinc/32/60/61/205326061.db2.gz WPJVPLNXOSYJGA-XLIONFOSSA-N 0 1 395.532 3.260 40 0 GGABMN O=S(=O)(c1ccccc1)N1C[C@@H]2CCCCN(Cc3cccs3)[C@@H]2C1 ZINC000072330677 205326633 /nfs/dbraw/zinc/32/66/33/205326633.db2.gz BGPFEUJISSUCKB-QFBILLFUSA-N 0 1 376.547 3.423 40 0 GGABMN COc1ccccc1Cc1cccc([C@H]2CCCN2C(=O)CN2CCCC2)n1 ZINC000072358045 205334029 /nfs/dbraw/zinc/33/40/29/205334029.db2.gz VDNQFEGMYKLUJW-OAQYLSRUSA-N 0 1 379.504 3.440 40 0 GGABMN Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN(C(=O)CN3CCCC3)C2)n1 ZINC000072346133 205329477 /nfs/dbraw/zinc/32/94/77/205329477.db2.gz VLXFHOBMDSISND-INIZCTEOSA-N 0 1 399.926 3.181 40 0 GGABMN CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCCN(Cc2ccccn2)C1 ZINC000072344803 205329597 /nfs/dbraw/zinc/32/95/97/205329597.db2.gz ABJDRPXFCKXJIG-LJQANCHMSA-N 0 1 389.503 3.457 40 0 GGABMN Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN(C(=O)CN3CCCC3)C2)n1 ZINC000072346132 205329716 /nfs/dbraw/zinc/32/97/16/205329716.db2.gz VLXFHOBMDSISND-MRXNPFEDSA-N 0 1 399.926 3.181 40 0 GGABMN CC(=O)Nc1cccc(-c2cccc([C@@H]3CCCN(C(=O)c4ccn[nH]4)C3)n2)c1 ZINC000072349789 205331035 /nfs/dbraw/zinc/33/10/35/205331035.db2.gz YMKUUQXYWVYMQN-QGZVFWFLSA-N 0 1 389.459 3.450 40 0 GGABMN O=C(CN1CCC[C@@H](c2cccc(-c3cccc(CO)c3)n2)C1)N1CCCC1 ZINC000072348774 205331429 /nfs/dbraw/zinc/33/14/29/205331429.db2.gz ORJNUFMQMFZPIS-HXUWFJFHSA-N 0 1 379.504 3.043 40 0 GGABMN COc1ccc2c(c1)cc(C1CCN(Cc3cnc(OC)nc3)CC1)[nH]c2=O ZINC000072350720 205332819 /nfs/dbraw/zinc/33/28/19/205332819.db2.gz NNVXCSBTQDFZJL-UHFFFAOYSA-N 0 1 380.448 3.127 40 0 GGABMN NC(=O)c1ccc(Oc2nccnc2[C@@H]2CCCN(Cc3ccccn3)C2)cc1 ZINC000072361892 205334213 /nfs/dbraw/zinc/33/42/13/205334213.db2.gz GTDFDIBVGBKHOG-QGZVFWFLSA-N 0 1 389.459 3.142 40 0 GGABMN Nc1cc(-c2cn[nH]c2[C@H]2CCCN(C(=O)NCCc3ccccc3)C2)ccn1 ZINC000072360789 205334521 /nfs/dbraw/zinc/33/45/21/205334521.db2.gz CJBQRHACDXKBDP-SFHVURJKSA-N 0 1 390.491 3.186 40 0 GGABMN CN(C)C(=O)CN1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000072358883 205334876 /nfs/dbraw/zinc/33/48/76/205334876.db2.gz SGSATZOSSRELIQ-HNNXBMFYSA-N 0 1 392.425 3.430 40 0 GGABMN CN(C)C(=O)CN1CCC[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000072358884 205334906 /nfs/dbraw/zinc/33/49/06/205334906.db2.gz SGSATZOSSRELIQ-OAHLLOKOSA-N 0 1 392.425 3.430 40 0 GGABMN COc1ccccc1Oc1nccnc1C1CCN(Cc2cnn(C)c2)CC1 ZINC000072362770 205335087 /nfs/dbraw/zinc/33/50/87/205335087.db2.gz WFYCVMWYHQUNDD-UHFFFAOYSA-N 0 1 379.464 3.391 40 0 GGABMN COCC(=O)N1CC[C@H](c2cc(CCOc3ccccc3C(F)(F)F)[nH]n2)C1 ZINC000072371293 205335279 /nfs/dbraw/zinc/33/52/79/205335279.db2.gz YVJYUNHCGJGKOK-ZDUSSCGKSA-N 0 1 397.397 3.012 40 0 GGABMN CC(C)c1ccc(OCCc2cc([C@H]3CCN(CC(=O)N4CCC4)C3)[nH]n2)cc1 ZINC000072371750 205335885 /nfs/dbraw/zinc/33/58/85/205335885.db2.gz XAILCRFCUULJAK-IBGZPJMESA-N 0 1 396.535 3.176 40 0 GGABMN CC(C)c1ccc(OCCc2cc([C@H]3CCN(CC(=O)N4CCC4)C3)n[nH]2)cc1 ZINC000072371750 205335890 /nfs/dbraw/zinc/33/58/90/205335890.db2.gz XAILCRFCUULJAK-IBGZPJMESA-N 0 1 396.535 3.176 40 0 GGABMN COc1ccccc1OCCc1cc([C@H]2CCN(c3nc(C)cc(C)n3)C2)[nH]n1 ZINC000072371393 205336036 /nfs/dbraw/zinc/33/60/36/205336036.db2.gz PTORKAIWIKOENP-KRWDZBQOSA-N 0 1 393.491 3.441 40 0 GGABMN COc1ccccc1OCCc1cc([C@@H]2CCN(c3nc(C)cc(C)n3)C2)[nH]n1 ZINC000072371394 205336139 /nfs/dbraw/zinc/33/61/39/205336139.db2.gz PTORKAIWIKOENP-QGZVFWFLSA-N 0 1 393.491 3.441 40 0 GGABMN COc1ccc(OCCc2cc([C@@H]3CCN(c4nc(C)cc(C)n4)C3)[nH]n2)cc1 ZINC000072371396 205336245 /nfs/dbraw/zinc/33/62/45/205336245.db2.gz XHMGJHCUPVXQKV-QGZVFWFLSA-N 0 1 393.491 3.441 40 0 GGABMN CN1CCn2c(nnc2[C@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3[nH]2)C1 ZINC000072373993 205337195 /nfs/dbraw/zinc/33/71/95/205337195.db2.gz ZZTDXGQQHLYGIT-QGZVFWFLSA-N 0 1 398.898 3.226 40 0 GGABMN CNc1nc([C@@H]2CCCCN2CCc2ccccc2)nc2c1CCN(C(C)=O)C2 ZINC000072376540 205337503 /nfs/dbraw/zinc/33/75/03/205337503.db2.gz RGJGJUOAMNUARI-NRFANRHFSA-N 0 1 393.535 3.193 40 0 GGABMN Nc1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCCN2C(=O)c2ccn[nH]2)n1 ZINC000072377121 205337521 /nfs/dbraw/zinc/33/75/21/205337521.db2.gz LFOATJYUPRLTBZ-INIZCTEOSA-N 0 1 382.855 3.470 40 0 GGABMN COc1ccc(C[N@H+]2CCC[C@H](c3ccnc([N-]c4ncccn4)n3)C2)cc1 ZINC000072377438 205339488 /nfs/dbraw/zinc/33/94/88/205339488.db2.gz ISMFODLWWRPBGW-KRWDZBQOSA-N 0 1 376.464 3.398 40 0 GGABMN COc1ccc(OCCc2cc([C@@H]3CCN(C(=O)c4ccncc4)C3)n[nH]2)cc1 ZINC000072378161 205340089 /nfs/dbraw/zinc/34/00/89/205340089.db2.gz POXAEPKZUPZMPG-QGZVFWFLSA-N 0 1 392.459 3.065 40 0 GGABMN Cc1nn(C)cc1CN1CCC(c2nccnc2Oc2cccnc2C)CC1 ZINC000072384036 205340494 /nfs/dbraw/zinc/34/04/94/205340494.db2.gz NDUVGCXXCZDNBU-UHFFFAOYSA-N 0 1 378.480 3.394 40 0 GGABMN CN(C)[C@H](CNC(=O)C1(c2ccccc2F)CCOCC1)c1cccc(F)c1 ZINC000072391799 205341302 /nfs/dbraw/zinc/34/13/02/205341302.db2.gz XUDRONYUNVFIQT-HXUWFJFHSA-N 0 1 388.458 3.432 40 0 GGABMN COc1ccc(OC)c(CNCc2cc(-c3ccccc3)cn3nnnc23)c1 ZINC000072392385 205341340 /nfs/dbraw/zinc/34/13/40/205341340.db2.gz DCYJCNRZABRXTR-UHFFFAOYSA-N 0 1 375.432 3.098 40 0 GGABMN CCc1n[nH]c(C(=O)NCC2CCC([C@H](NC(C)=O)c3ccccn3)CC2)c1C ZINC000072391148 205342539 /nfs/dbraw/zinc/34/25/39/205342539.db2.gz HTRAEIHPYCZOIN-BPZDKFOGSA-N 0 1 397.523 3.089 40 0 GGABMN COc1ccc(OC)c(CN2CCC([C@H](NC(C)=O)c3ccccn3)CC2)c1 ZINC000072398533 205344355 /nfs/dbraw/zinc/34/43/55/205344355.db2.gz ALOHFYMWJFELGD-QFIPXVFZSA-N 0 1 383.492 3.188 40 0 GGABMN COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=N)N(c3ccccc3)C2=O)c1 ZINC000004384563 205745244 /nfs/dbraw/zinc/74/52/44/205745244.db2.gz VHXNNONOCNRBBL-INIZCTEOSA-N 0 1 385.445 3.116 40 0 GGABMN COC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(OC)c(C(C)C)c2)c1 ZINC000223655112 206003858 /nfs/dbraw/zinc/00/38/58/206003858.db2.gz SWELCUVTLFBTPH-UHFFFAOYSA-N 0 1 393.461 3.415 40 0 GGABMN COc1ccc(S(=O)(=O)Nc2cc(C(=O)OC(C)C)ccc2OC)cc1F ZINC000223656203 206004755 /nfs/dbraw/zinc/00/47/55/206004755.db2.gz MNBTZJRXEQMFFK-UHFFFAOYSA-N 0 1 397.424 3.209 40 0 GGABMN COC(=O)c1cc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)ccc1C ZINC000223823730 206006840 /nfs/dbraw/zinc/00/68/40/206006840.db2.gz ZRQWHRXXTYBHJO-UHFFFAOYSA-N 0 1 399.852 3.253 40 0 GGABMN COc1ccc(S(=O)(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1 ZINC000224286735 206017587 /nfs/dbraw/zinc/01/75/87/206017587.db2.gz RRTGLNCFUJYFHR-UHFFFAOYSA-N 0 1 375.381 3.217 40 0 GGABMN CN(C)c1nc(N2CCCC2)ncc1NS(=O)(=O)c1ccc2ccccc2c1 ZINC000224343455 206020148 /nfs/dbraw/zinc/02/01/48/206020148.db2.gz ZTMYKXMDWYSXAE-UHFFFAOYSA-N 0 1 397.504 3.097 40 0 GGABMN COc1cc(NC(=S)NC2CCN(Cc3ccccn3)CC2)cc(OC)c1 ZINC000225231900 206041679 /nfs/dbraw/zinc/04/16/79/206041679.db2.gz VYDUJMOVQZLHNZ-UHFFFAOYSA-N 0 1 386.521 3.050 40 0 GGABMN COc1ccc(C)cc1CN1CCN(CCC(=O)Nc2ccccc2F)CC1 ZINC000028889202 206048472 /nfs/dbraw/zinc/04/84/72/206048472.db2.gz WDHYHGODORWEQG-UHFFFAOYSA-N 0 1 385.483 3.289 40 0 GGABMN Cc1ccc2c(n1)N(C)[C@H](CO)CCN(Cc1ccc(OC(F)(F)F)cc1)C2 ZINC000225493315 206052175 /nfs/dbraw/zinc/05/21/75/206052175.db2.gz RADWDJJKSOMTKT-KRWDZBQOSA-N 0 1 395.425 3.492 40 0 biogenic,in-vitro GGABMN O=C([C@@H]1CCc2[nH]cnc2C1)N1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000225510790 206053069 /nfs/dbraw/zinc/05/30/69/206053069.db2.gz MUTQKFMRJDACSA-GFCCVEGCSA-N 0 1 379.291 3.170 40 0 GGABMN CN1CCN(c2ccc(NC(=O)Cc3cccc(Br)c3)cc2)CC1 ZINC000225622562 206062167 /nfs/dbraw/zinc/06/21/67/206062167.db2.gz COASNUVABLRQRZ-UHFFFAOYSA-N 0 1 388.309 3.382 40 0 GGABMN Cc1cc(C(F)(F)F)nn1CCCNC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000032502434 206089943 /nfs/dbraw/zinc/08/99/43/206089943.db2.gz XNIAAMJOGAXGSR-KRWDZBQOSA-N 0 1 394.441 3.381 40 0 GGABMN Cn1cc(CN2C[C@@H](F)[C@@H](OCc3nc4ccc(C(F)(F)F)cc4[nH]3)C2)cn1 ZINC000096112258 206115392 /nfs/dbraw/zinc/11/53/92/206115392.db2.gz IDAFEOXLJPBULO-CJNGLKHVSA-N 0 1 397.376 3.054 40 0 biogenic,in-vitro GGABMN COc1ccc(C(=O)N2C[C@@H](F)[C@@H](OCc3nc4ccc(C)cc4[nH]3)C2)cc1 ZINC000096112069 206115617 /nfs/dbraw/zinc/11/56/17/206115617.db2.gz ABAXYSOZBFVUMC-APWZRJJASA-N 0 1 383.423 3.259 40 0 biogenic,in-vitro GGABMN Cn1ccnc1CN1C[C@@H](F)[C@@H](OCc2nc3ccc(C(F)(F)F)cc3[nH]2)C1 ZINC000096112252 206115661 /nfs/dbraw/zinc/11/56/61/206115661.db2.gz YYOUCYJMORMNIC-DOMZBBRYSA-N 0 1 397.376 3.054 40 0 biogenic,in-vitro GGABMN COc1ncccc1CNC[C@H]1Cn2c(-c3ccc(Cl)cc3)cnc2CO1 ZINC000096296371 206122035 /nfs/dbraw/zinc/12/20/35/206122035.db2.gz AVGCSEWHYRIITN-KRWDZBQOSA-N 0 1 384.867 3.296 40 0 biogenic,in-vitro GGABMN CN(C(=O)c1ccn[nH]1)[C@@H]1CC[C@@]2(C)C[C@H](c3ccccc3)C[C@](C)(O2)[C@H]1O ZINC000257203700 206157476 /nfs/dbraw/zinc/15/74/76/206157476.db2.gz ARGKFRHRMIBPBM-VCTHZUDLSA-N 0 1 383.492 3.117 40 0 GGABMN COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)CN3CCCCC3)C2)o1 ZINC000257211162 206159929 /nfs/dbraw/zinc/15/99/29/206159929.db2.gz BXSSOWZITSUIRY-LJQANCHMSA-N 0 1 397.519 3.466 40 0 GGABMN Cc1c[nH]nc1[C@@]1(C)C[N@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)CCO1 ZINC000257207316 206160191 /nfs/dbraw/zinc/16/01/91/206160191.db2.gz BHEXWBNFRQJTER-OAQYLSRUSA-N 0 1 381.432 3.424 40 0 GGABMN Cc1c[nH]nc1[C@@]1(C)C[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)CCO1 ZINC000257207316 206160196 /nfs/dbraw/zinc/16/01/96/206160196.db2.gz BHEXWBNFRQJTER-OAQYLSRUSA-N 0 1 381.432 3.424 40 0 GGABMN Cc1nc([C@@H]2CCN(Cc3ccccc3F)C2)nc(C)c1CC(=O)NC(C)C ZINC000257279305 206171235 /nfs/dbraw/zinc/17/12/35/206171235.db2.gz OFZWCBQGUNTDMQ-GOSISDBHSA-N 0 1 384.499 3.289 40 0 GGABMN Cc1nc([C@H]2CCN(Cc3ccccc3F)C2)nc(C)c1CC(=O)NC(C)C ZINC000257279306 206171604 /nfs/dbraw/zinc/17/16/04/206171604.db2.gz OFZWCBQGUNTDMQ-SFHVURJKSA-N 0 1 384.499 3.289 40 0 GGABMN Cc1c[nH]c(-c2cncc(C[C@@H]3CCC[N@@H+](Cc4ccc(C(=O)[O-])cc4)C3)n2)n1 ZINC000257285457 206173609 /nfs/dbraw/zinc/17/36/09/206173609.db2.gz PHDIHIMKPCTXHF-KRWDZBQOSA-N 0 1 391.475 3.328 40 0 GGABMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H](Cc3nccnc3-c3ncc[nH]3)C2)cc1 ZINC000257285842 206173638 /nfs/dbraw/zinc/17/36/38/206173638.db2.gz PJDFCULCOCEXOX-MRXNPFEDSA-N 0 1 377.448 3.020 40 0 GGABMN Cc1ncc(-c2ccc(C[C@H]3CCCN(C(=O)CN4CCCCC4)C3)cn2)n1C ZINC000257283707 206173756 /nfs/dbraw/zinc/17/37/56/206173756.db2.gz OZLNCNROGQZDHP-HXUWFJFHSA-N 0 1 395.551 3.058 40 0 GGABMN Cc1cnc(Nc2cc(CC3CCN(C(=O)c4ccn[nH]4)CC3)nc(C)n2)s1 ZINC000257300772 206174161 /nfs/dbraw/zinc/17/41/61/206174161.db2.gz RVPVTHXSZLVNDZ-UHFFFAOYSA-N 0 1 397.508 3.112 40 0 GGABMN COc1ccccc1CNc1cc(-c2cn[nH]c2[C@H]2CCN(C(C)=O)C2)ccn1 ZINC000257309747 206176133 /nfs/dbraw/zinc/17/61/33/206176133.db2.gz UCFVGBHZNGTDHZ-SFHVURJKSA-N 0 1 391.475 3.428 40 0 GGABMN Nc1cc(-c2cn[nH]c2[C@@H]2CCN(C(=O)c3cccc4cccnc43)C2)ccn1 ZINC000257303157 206176915 /nfs/dbraw/zinc/17/69/15/206176915.db2.gz SFZWPBBICZLRMP-MRXNPFEDSA-N 0 1 384.443 3.232 40 0 GGABMN O=C([O-])c1ccccc1C[N@H+]1CCC[C@@H](Cc2cncc(-c3ncc[nH]3)n2)C1 ZINC000257318220 206177626 /nfs/dbraw/zinc/17/76/26/206177626.db2.gz VMZZZADRZNXYKO-HNNXBMFYSA-N 0 1 377.448 3.020 40 0 GGABMN Cc1c[nH]c(-c2cncc(C[C@@H]3CCC[N@@H+](Cc4ccccc4C(=O)[O-])C3)n2)n1 ZINC000257230304 206162516 /nfs/dbraw/zinc/16/25/16/206162516.db2.gz GBQLRJOTYOKJML-INIZCTEOSA-N 0 1 391.475 3.328 40 0 GGABMN Cc1c[nH]c(-c2cncc([C@@H]3CCC[N@@H+](Cc4ccc(C(=O)[O-])cc4)C3)n2)n1 ZINC000257229662 206163062 /nfs/dbraw/zinc/16/30/62/206163062.db2.gz FZABXAPFHVPLEF-QGZVFWFLSA-N 0 1 377.448 3.253 40 0 GGABMN CC(=O)N1CCC[C@H]2N(C(=O)c3cc(-c4ccc(C)cc4)[nH]n3)CCC[C@@]21C ZINC000257240153 206164162 /nfs/dbraw/zinc/16/41/62/206164162.db2.gz HSGKLPYGILRAIB-IRLDBZIGSA-N 0 1 380.492 3.391 40 0 GGABMN O=C1NCC2(CCN(Cc3c[nH]cn3)CC2)C/C=C/CCOc2ccccc21 ZINC000257239698 206164383 /nfs/dbraw/zinc/16/43/83/206164383.db2.gz HQJWWAGEVWACFM-DAFODLJHSA-N 0 1 380.492 3.151 40 0 GGABMN CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cc(-c3ccccc3F)[nH]n1)C2 ZINC000257262628 206167627 /nfs/dbraw/zinc/16/76/27/206167627.db2.gz LMDJGBMCJCHMQU-COWZOJLOSA-N 0 1 396.466 3.220 40 0 GGABMN Cn1cc(CN2CCCC[C@@H]2c2ccc(-c3ccc(C(N)=O)cc3)nc2)cn1 ZINC000257256734 206168482 /nfs/dbraw/zinc/16/84/82/206168482.db2.gz KMQVIYYCEUPAQV-OAQYLSRUSA-N 0 1 375.476 3.308 40 0 GGABMN CC(C)c1ccc(OCCc2cc([C@@H]3CN(Cc4ncc[nH]4)CCO3)n[nH]2)cc1 ZINC000257267294 206169088 /nfs/dbraw/zinc/16/90/88/206169088.db2.gz MGQYGIAANMVHPC-NRFANRHFSA-N 0 1 395.507 3.451 40 0 GGABMN O=C([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@@H]2c2cc(CCO)n[nH]2)o1 ZINC000257269217 206170068 /nfs/dbraw/zinc/17/00/68/206170068.db2.gz MPAYYDFYRSVYNH-LJQANCHMSA-N 0 1 381.432 3.240 40 0 GGABMN O=C([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]2c2cc(CCO)n[nH]2)o1 ZINC000257269217 206170073 /nfs/dbraw/zinc/17/00/73/206170073.db2.gz MPAYYDFYRSVYNH-LJQANCHMSA-N 0 1 381.432 3.240 40 0 GGABMN Cn1ccnc1-c1cnc(C[C@@H]2CCC[N@@H+](Cc3ccccc3C(=O)[O-])C2)cn1 ZINC000257338155 206181785 /nfs/dbraw/zinc/18/17/85/206181785.db2.gz YWEGFMNFPZJBHO-INIZCTEOSA-N 0 1 391.475 3.030 40 0 GGABMN COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)CN3CCCC3)C2)o1 ZINC000257334054 206181814 /nfs/dbraw/zinc/18/18/14/206181814.db2.gz YEILVMDSIHPFJI-GOSISDBHSA-N 0 1 383.492 3.076 40 0 GGABMN COc1ccccc1Cc1cnc([C@H]2CCCN(C(=O)CN3CCCC3)C2)o1 ZINC000257334055 206182035 /nfs/dbraw/zinc/18/20/35/206182035.db2.gz YEILVMDSIHPFJI-SFHVURJKSA-N 0 1 383.492 3.076 40 0 GGABMN Cc1noc([C@@]2(C)C[N@H+](Cc3ccc(-c4ccccc4C(=O)[O-])cc3)CCO2)n1 ZINC000257324277 206179713 /nfs/dbraw/zinc/17/97/13/206179713.db2.gz WNYPKRQLGWASFR-JOCHJYFZSA-N 0 1 393.443 3.491 40 0 GGABMN Cc1noc([C@@]2(C)C[N@@H+](Cc3ccc(-c4ccccc4C(=O)[O-])cc3)CCO2)n1 ZINC000257324277 206179716 /nfs/dbraw/zinc/17/97/16/206179716.db2.gz WNYPKRQLGWASFR-JOCHJYFZSA-N 0 1 393.443 3.491 40 0 GGABMN Cc1nc(CN2C(=O)c3cccn3[C@@H]3CN(Cc4cccs4)C[C@H]32)cs1 ZINC000306142847 206206707 /nfs/dbraw/zinc/20/67/07/206206707.db2.gz XMJMAUBFBAHXFZ-QZTJIDSGSA-N 0 1 384.530 3.396 40 0 GGABMN CCCC(=O)N1CC[C@]2(c3ccccc3)CC[C@@H](N3CCN(C(C)=O)CC3)C[C@@H]12 ZINC000306141876 206207817 /nfs/dbraw/zinc/20/78/17/206207817.db2.gz WIYDAJJBVCAATR-AKFKNWHVSA-N 0 1 397.563 3.042 40 0 GGABMN COc1ccc(-c2cnc3n2C[C@]2(CCN(Cc4cccnc4)C2)OC3)cc1 ZINC000306129670 206199397 /nfs/dbraw/zinc/19/93/97/206199397.db2.gz IJFNPKFQJHITTA-JOCHJYFZSA-N 0 1 376.460 3.129 40 0 GGABMN CN1CC[C@H](COc2ccccn2)CC12CN(C(=O)c1cc3ccccc3[nH]1)C2 ZINC000306131932 206200446 /nfs/dbraw/zinc/20/04/46/206200446.db2.gz KTIMYCCIIMKXOQ-KRWDZBQOSA-N 0 1 390.487 3.178 40 0 GGABMN CC(C)n1cnc([C@H]2CN(Cc3nccs3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306136296 206202374 /nfs/dbraw/zinc/20/23/74/206202374.db2.gz PPBBBUOZWTTXJD-UTKZUKDTSA-N 0 1 399.564 3.149 40 0 GGABMN Cc1ccc(CN2C[C@@H]3[C@@H](C2)N(Cc2ccccn2)C(=O)c2cccn23)s1 ZINC000306136728 206202841 /nfs/dbraw/zinc/20/28/41/206202841.db2.gz QBBAXJIIJFLMOK-WOJBJXKFSA-N 0 1 378.501 3.335 40 0 GGABMN COc1ncccc1CN1CC[C@@]2(C1)Cn1c(-c3ccc(C)cc3)cnc1CO2 ZINC000306135796 206203860 /nfs/dbraw/zinc/20/38/60/206203860.db2.gz PBEVHHRRERNZAZ-HSZRJFAPSA-N 0 1 390.487 3.437 40 0 GGABMN COC[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC000408609647 532992621 /nfs/dbraw/zinc/99/26/21/532992621.db2.gz PLEWYSHUDIIQSM-ZDUSSCGKSA-N 0 1 396.896 3.214 40 0 GGABMN COC[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000408611192 532992895 /nfs/dbraw/zinc/99/28/95/532992895.db2.gz SJQGGAQAKUJVGW-ZDUSSCGKSA-N 0 1 396.896 3.214 40 0 GGABMN COc1cc(OC)cc(-c2n[nH]c(SCC(=O)NC3CCCCC3)n2)c1 ZINC000408546728 533061733 /nfs/dbraw/zinc/06/17/33/533061733.db2.gz OEWVKQWCKHANSF-UHFFFAOYSA-N 0 1 376.482 3.030 40 0 GGABMN COc1ccc([C@@H](c2c(C)[nH]n(-c3ccccc3)c2=O)N2CCOCC2)cc1 ZINC000103670222 533137676 /nfs/dbraw/zinc/13/76/76/533137676.db2.gz RIOXAWAJNBGQHH-RTWAWAEBSA-N 0 1 379.460 3.107 40 0 GGABMN Cc1ccc(N2CCN(C[C@H](O)c3ccc4c(c3)OCCCO4)CC2)c(C)c1 ZINC000057822919 136154097 /nfs/dbraw/zinc/15/40/97/136154097.db2.gz FBYKXOJHZLQBOX-NRFANRHFSA-N 0 1 382.504 3.320 40 0 GGABMN CCN1C[C@H](CN(C)Cc2cc(=O)n3cc(Cl)ccc3n2)Oc2ccccc21 ZINC000069876698 136165251 /nfs/dbraw/zinc/16/52/51/136165251.db2.gz WMYTWYREQLPFFY-KRWDZBQOSA-N 0 1 398.894 3.067 40 0 GGABMN CCN1CCN(c2cc(NC(=O)COc3ccccc3)c(Cl)cc2N)CC1 ZINC000072229602 136167729 /nfs/dbraw/zinc/16/77/29/136167729.db2.gz YIPXQTUCKJIBDI-UHFFFAOYSA-N 0 1 388.899 3.082 40 0 GGABMN O=c1cc(-c2c[nH]c3ccccc32)nc(N2CCN(Cc3ccccc3)CC2)[nH]1 ZINC000102331045 136190061 /nfs/dbraw/zinc/19/00/61/136190061.db2.gz WCNDNPDHHGVELT-UHFFFAOYSA-N 0 1 385.471 3.240 40 0 GGABMN O=S(=O)(Nc1ccccc1N1CCOCC1)c1ccccc1C(F)(F)F ZINC000006510008 136195120 /nfs/dbraw/zinc/19/51/20/136195120.db2.gz KOCBZYQKKWKXBR-UHFFFAOYSA-N 0 1 386.395 3.343 40 0 GGABMN O=c1cc(-c2ccccc2Cl)nc(N2CCN(Cc3ccccc3)CC2)[nH]1 ZINC000014608478 136201699 /nfs/dbraw/zinc/20/16/99/136201699.db2.gz ACUXLFUAPNDGER-UHFFFAOYSA-N 0 1 380.879 3.413 40 0 GGABMN O[C@@H](COc1ccc(F)cc1)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000016779373 136202158 /nfs/dbraw/zinc/20/21/58/136202158.db2.gz XJBXXDGWRBSKBF-GOSISDBHSA-N 0 1 398.400 3.406 40 0 GGABMN CCOc1ccc(S(=O)(=O)Nc2cc(C)ccc2OC)cc1NC(C)=O ZINC000408562077 528587942 /nfs/dbraw/zinc/58/79/42/528587942.db2.gz XQNSKEWFHJWVQK-UHFFFAOYSA-N 0 1 378.450 3.162 40 0 GGABMN CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000113951330 535818212 /nfs/dbraw/zinc/81/82/12/535818212.db2.gz FLFBILJMRGKIKV-OAQYLSRUSA-N 0 1 383.492 3.243 40 0 GGABMN CN(C)c1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4ccc(C(=O)[O-])cc4)C3)o2)cc1 ZINC000049170183 560084641 /nfs/dbraw/zinc/08/46/41/560084641.db2.gz DCSFYIQKUUKDBQ-SFHVURJKSA-N 0 1 392.459 3.490 40 0 biogenic,in-vitro GGABMN COc1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3C(=O)c3ccco3)n2)cc1 ZINC000015675968 560094636 /nfs/dbraw/zinc/09/46/36/560094636.db2.gz HMOJGYXICPJPNC-INIZCTEOSA-N 0 1 391.387 3.001 40 0 biogenic,in-vitro GGABMN O=C(Nc1ccccc1)N1Cc2[nH]cnc2C[C@H]1c1nc(-c2ccncc2)no1 ZINC000015675912 560094865 /nfs/dbraw/zinc/09/48/65/560094865.db2.gz BYEMTQOCNZCLMG-KRWDZBQOSA-N 0 1 387.403 3.186 40 0 biogenic,in-vitro GGABMN O=C1C(Cc2c(Cl)cccc2Cl)Sc2nnc(-c3cnccn3)n21 ZINC000001099549 564183733 /nfs/dbraw/zinc/18/37/33/564183733.db2.gz RETNVBUGAJJYPL-LBPRGKRZSA-N 0 1 378.244 3.399 40 0 GGABMN C[C@@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)NC(=O)NC1CCCCC1 ZINC000005017520 564211791 /nfs/dbraw/zinc/21/17/91/564211791.db2.gz NHIAKUXPWCZFAO-SNVBAGLBSA-N 0 1 379.511 3.172 40 0 GGABMN COc1ccc(-c2n[nH]c(SCC(=O)Nc3cccnc3Cl)n2)cc1 ZINC000006171213 564221714 /nfs/dbraw/zinc/22/17/14/564221714.db2.gz OADAWHAFIQYNQZ-UHFFFAOYSA-N 0 1 375.841 3.260 40 0 GGABMN Cc1cc(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3)c(C)s2)no1 ZINC000006680173 564226374 /nfs/dbraw/zinc/22/63/74/564226374.db2.gz LIQUWBFXXRWIQM-UHFFFAOYSA-N 0 1 377.447 3.406 40 0 GGABMN COC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000009367516 564253313 /nfs/dbraw/zinc/25/33/13/564253313.db2.gz APUUWKHVRGZTDD-UHFFFAOYSA-N 0 1 375.324 3.173 40 0 GGABMN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000012737458 564270330 /nfs/dbraw/zinc/27/03/30/564270330.db2.gz AEQYWHUWCJJEDV-UHFFFAOYSA-N 0 1 380.274 3.198 40 0 GGABMN Cc1ccc(C[N@H+]2CCC[C@H](C3=Nc4ccccc4S(=O)(=O)[N-]3)C2)s1 ZINC000019217175 564303431 /nfs/dbraw/zinc/30/34/31/564303431.db2.gz AXMKIVYNUCOPQW-AWEZNQCLSA-N 0 1 375.519 3.291 40 0 GGABMN O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)Nc1nccs1 ZINC000019927846 564304492 /nfs/dbraw/zinc/30/44/92/564304492.db2.gz BSIGTDZUISYHKA-UHFFFAOYSA-N 0 1 396.295 3.422 40 0 GGABMN C[C@@H]1CN(C(C)(C)CNC(=O)/C=C/c2cccc(Br)c2)C[C@H](C)O1 ZINC000023181213 564323293 /nfs/dbraw/zinc/32/32/93/564323293.db2.gz JOOOJPWXZZWYQJ-WNJITKBNSA-N 0 1 395.341 3.466 40 0 GGABMN Cc1cc(CN2CCC(CNS(=O)(=O)c3ccc(C)s3)CC2)c(C)o1 ZINC000043954129 564462650 /nfs/dbraw/zinc/46/26/50/564462650.db2.gz OXGIMHDXZUVWCQ-UHFFFAOYSA-N 0 1 382.551 3.457 40 0 GGABMN COC(=O)c1cc(C)ccc1NS(=O)(=O)c1cccc(Br)c1 ZINC000058158634 564680406 /nfs/dbraw/zinc/68/04/06/564680406.db2.gz KMTVUOPVGIAPRL-UHFFFAOYSA-N 0 1 384.251 3.345 40 0 GGABMN O=[S@@](c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1)C(F)(F)F ZINC000072312981 564862589 /nfs/dbraw/zinc/86/25/89/564862589.db2.gz AMTDKIZEOJCCRT-HSZRJFAPSA-N 0 1 385.335 3.393 40 0 GGABMN N[C@@H]1[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218243705 565898498 /nfs/dbraw/zinc/89/84/98/565898498.db2.gz RBFCBRDITMBVKO-KFWWJZLASA-N 0 1 386.698 3.370 40 0 GGABMN O=C(Nc1nnc(S(=O)(=O)Nc2ccccc2Cl)s1)c1ccccc1 ZINC000223140636 565907646 /nfs/dbraw/zinc/90/76/46/565907646.db2.gz JCRJLQLFCLHBQP-UHFFFAOYSA-N 0 1 394.865 3.245 40 0 GGABMN COc1ccc(-c2n[nH]cc2CNC(=O)Cc2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000019719009 570210183 /nfs/dbraw/zinc/21/01/83/570210183.db2.gz MOEKOKREUVQURH-UHFFFAOYSA-N 0 1 395.850 3.474 40 0 GGABMN CC[C@@H](CN1CCOCC1)n1cncc1-c1cc2c(cc1OC)OCCCO2 ZINC000019719946 570210871 /nfs/dbraw/zinc/21/08/71/570210871.db2.gz GURPAHOLSSJIOO-INIZCTEOSA-N 0 1 387.480 3.003 40 0 GGABMN C[C@@H](NC(=O)CC1CCN(Cc2ccccn2)CC1)c1nc2ccccc2[nH]1 ZINC000019748815 570214662 /nfs/dbraw/zinc/21/46/62/570214662.db2.gz NDSHMFNXIFRAQI-MRXNPFEDSA-N 0 1 377.492 3.437 40 0 GGABMN CNc1nc([C@@H]2CCCCN2C(C)=O)nc2c1CN(CCc1ccccc1)CC2 ZINC000019752349 570215828 /nfs/dbraw/zinc/21/58/28/570215828.db2.gz MCAFZJLLWRAROC-NRFANRHFSA-N 0 1 393.535 3.193 40 0 GGABMN C[C@@H](CNC(=O)C1=NO[C@@]2(CCN(Cc3ccccc3)C2)C1)c1ccccc1 ZINC000096225720 570220414 /nfs/dbraw/zinc/22/04/14/570220414.db2.gz KEKRCKHLXHMTHX-MBSDFSHPSA-N 0 1 377.488 3.327 40 0 GGABMN C[C@@H](CNC(=O)C1=NO[C@@]2(CCN(CCc3ccccc3)C2)C1)c1ccccc1 ZINC000096225768 570220610 /nfs/dbraw/zinc/22/06/10/570220610.db2.gz OKWHJJXAQGRZGH-CYFREDJKSA-N 0 1 391.515 3.370 40 0 GGABMN Cc1ccc(C(=O)N2CCC3(CC2)COCCN(Cc2cccn2C)C3)cc1F ZINC000096239874 570222143 /nfs/dbraw/zinc/22/21/43/570222143.db2.gz QRUQBJZWBIALRE-UHFFFAOYSA-N 0 1 399.510 3.227 40 0 GGABMN O=C(c1ccc(Cl)cc1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC000096239937 570222184 /nfs/dbraw/zinc/22/21/84/570222184.db2.gz YXXVAMNKSVBOCY-UHFFFAOYSA-N 0 1 399.922 3.490 40 0 GGABMN Cc1nc(NCC2CC2)nc2c1COC[C@]21CCN(Cc2ccc(F)cc2)C1 ZINC000096244494 570223747 /nfs/dbraw/zinc/22/37/47/570223747.db2.gz XBFOFSQQNPFHMV-JOCHJYFZSA-N 0 1 382.483 3.420 40 0 GGABMN CN(C)[C@H](CNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cccc(F)c1 ZINC000048251781 570226937 /nfs/dbraw/zinc/22/69/37/570226937.db2.gz UECINTBBEDRTDD-FUHWJXTLSA-N 0 1 393.503 3.192 40 0 GGABMN COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000019931857 570231146 /nfs/dbraw/zinc/23/11/46/570231146.db2.gz VUJZHYIGXITBDI-UHFFFAOYSA-N 0 1 383.429 3.143 40 0 GGABMN COc1ccc(CNC(=O)C2CCN(Cc3ccccc3F)CC2)cc1OC ZINC000096625983 570231522 /nfs/dbraw/zinc/23/15/22/570231522.db2.gz DQAJWJRSZRQFFY-UHFFFAOYSA-N 0 1 386.467 3.371 40 0 GGABMN COc1ccc(OCCNC(=O)C2CCN(Cc3ccccc3F)CC2)cc1 ZINC000096625994 570231724 /nfs/dbraw/zinc/23/17/24/570231724.db2.gz TZOWAQWBIYRMPZ-UHFFFAOYSA-N 0 1 386.467 3.242 40 0 GGABMN COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 ZINC000000959067 570231910 /nfs/dbraw/zinc/23/19/10/570231910.db2.gz FFZNSQAKOOXJNK-UHFFFAOYSA-N 0 1 397.456 3.072 40 0 GGABMN CCOC(=O)c1cc(NC(=O)c2ccccc2NS(C)(=O)=O)ccc1Cl ZINC000020493869 570263954 /nfs/dbraw/zinc/26/39/54/570263954.db2.gz ULBHOKAQNJTLDP-UHFFFAOYSA-N 0 1 396.852 3.141 40 0 GGABMN CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)CC[N@H+](C(C)C)C3 ZINC000100234071 570269810 /nfs/dbraw/zinc/26/98/10/570269810.db2.gz ISLXQAWDKBZALV-BEFAXECRSA-N 0 1 399.539 3.301 40 0 GGABMN CCOC(=O)C1=C(CN(C)Cc2ccccc2F)NC(=O)N[C@H]1c1ccccc1 ZINC000022060012 570303602 /nfs/dbraw/zinc/30/36/02/570303602.db2.gz UTQXWHOHNNOXLK-FQEVSTJZSA-N 0 1 397.450 3.129 40 0 GGABMN Cc1ccc(C(=O)CCC(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)cc1C ZINC000014372383 570309626 /nfs/dbraw/zinc/30/96/26/570309626.db2.gz PRKFRHUMGXVCDJ-UHFFFAOYSA-N 0 1 383.473 3.223 40 0 GGABMN Cc1ccccc1CN(C)C(=O)CN1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012326979 570315295 /nfs/dbraw/zinc/31/52/95/570315295.db2.gz DPDPJSZEUGGPKL-FQEVSTJZSA-N 0 1 379.504 3.304 40 0 GGABMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCC(C)C)c1 ZINC000048090101 570326545 /nfs/dbraw/zinc/32/65/45/570326545.db2.gz ZNTHEAZWMXUEOP-UHFFFAOYSA-N 0 1 376.478 3.190 40 0 GGABMN CCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC(C)C)ccc1OC ZINC000113946576 570335390 /nfs/dbraw/zinc/33/53/90/570335390.db2.gz DUGIMGXBOWAPLX-UHFFFAOYSA-N 0 1 392.477 3.033 40 0 GGABMN CC[C@H]1CCCC[N@H+]1Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC ZINC000023991393 570341326 /nfs/dbraw/zinc/34/13/26/570341326.db2.gz FJKYLWQHXLXELP-HNNXBMFYSA-N 0 1 378.542 3.071 40 0 GGABMN CC[C@H]1CCCCN1Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC ZINC000023991393 570341327 /nfs/dbraw/zinc/34/13/27/570341327.db2.gz FJKYLWQHXLXELP-HNNXBMFYSA-N 0 1 378.542 3.071 40 0 GGABMN COc1ccc(OCCCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000023134131 570346064 /nfs/dbraw/zinc/34/60/64/570346064.db2.gz TVAQFEDTIVFDLY-UHFFFAOYSA-N 0 1 383.492 3.245 40 0 GGABMN CN1CCN(c2ccc(NC(=O)COc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000023228140 570350781 /nfs/dbraw/zinc/35/07/81/570350781.db2.gz BOLQGMSKZLSULX-UHFFFAOYSA-N 0 1 393.409 3.475 40 0 GGABMN CCS(=O)(=O)c1ccc(O)c(NC(=O)Cc2cccc(C(F)(F)F)c2)c1 ZINC000024153096 570380029 /nfs/dbraw/zinc/38/00/29/570380029.db2.gz DNKCXICEOARSGG-UHFFFAOYSA-N 0 1 387.379 3.386 40 0 GGABMN CCOc1ccccc1NS(=O)(=O)c1ccc(OC)c(-c2noc(C)n2)c1 ZINC000035538820 570391276 /nfs/dbraw/zinc/39/12/76/570391276.db2.gz LTZFXXHCSYSDRR-UHFFFAOYSA-N 0 1 389.433 3.253 40 0 GGABMN Cc1c(NC(=O)[C@H](C)N(C)Cc2ccc(C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000024813737 570393873 /nfs/dbraw/zinc/39/38/73/570393873.db2.gz ZPISNXAEITUSLG-SFHVURJKSA-N 0 1 392.503 3.252 40 0 GGABMN Cc1c(NC(=O)[C@@H](C)N(C)Cc2ccc(C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000024813730 570393893 /nfs/dbraw/zinc/39/38/93/570393893.db2.gz ZPISNXAEITUSLG-GOSISDBHSA-N 0 1 392.503 3.252 40 0 GGABMN N[C@@H](C(=O)N1CCC(CCc2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCCO1 ZINC000685938858 570397662 /nfs/dbraw/zinc/39/76/62/570397662.db2.gz PZWOCIYHMUYXAV-ZWKOTPCHSA-N 0 1 384.442 3.383 40 0 GGABMN COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)N2CCCCC2)cc1 ZINC000006406123 570406177 /nfs/dbraw/zinc/40/61/77/570406177.db2.gz LHMSIOPVCHUMCJ-PUHATCMVSA-N 0 1 386.536 3.376 40 0 biogenic GGABMN C[C@@H](NC(=O)[C@H](C)N1CCC(C(=O)Nc2ccccc2O)CC1)c1ccccc1 ZINC000024828414 570406434 /nfs/dbraw/zinc/40/64/34/570406434.db2.gz YWHPUHAWELFDBP-SJORKVTESA-N 0 1 395.503 3.309 40 0 GGABMN Cc1csc(=O)n1CCC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000025377612 570412014 /nfs/dbraw/zinc/41/20/14/570412014.db2.gz KSZOLSJOERGHBZ-QGZVFWFLSA-N 0 1 393.940 3.215 40 0 GGABMN Cc1csc(=O)n1CCC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000025377617 570412413 /nfs/dbraw/zinc/41/24/13/570412413.db2.gz KSZOLSJOERGHBZ-KRWDZBQOSA-N 0 1 393.940 3.215 40 0 GGABMN O=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)N1CCCc2ccccc21 ZINC000004399687 570421275 /nfs/dbraw/zinc/42/12/75/570421275.db2.gz HOQFVIAOGSBDFY-UHFFFAOYSA-N 0 1 393.466 3.187 40 0 GGABMN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C(=O)OC)c2C)c1 ZINC000026541424 570426959 /nfs/dbraw/zinc/42/69/59/570426959.db2.gz AMRBBAUXBCFIGE-UHFFFAOYSA-N 0 1 397.836 3.022 40 0 GGABMN COc1cc(C)c(S(=O)(=O)NCCCN2CCc3ccccc3C2)cc1C ZINC000222913784 570431195 /nfs/dbraw/zinc/43/11/95/570431195.db2.gz KGTCQAMSFFSVNZ-UHFFFAOYSA-N 0 1 388.533 3.039 40 0 GGABMN O=C(COc1ccc(Cl)cc1)NCCSc1nc(-c2ccccc2)n[nH]1 ZINC000222970672 570434074 /nfs/dbraw/zinc/43/40/74/570434074.db2.gz DLYDXNWHOFPGPA-UHFFFAOYSA-N 0 1 388.880 3.412 40 0 GGABMN CCn1c2cc(C)c(S(=O)(=O)Nc3cc(C)ccc3OC)cc2oc1=O ZINC000223356542 570461301 /nfs/dbraw/zinc/46/13/01/570461301.db2.gz KKBSHYNXPRSGRO-UHFFFAOYSA-N 0 1 376.434 3.041 40 0 GGABMN COc1ccc(S(=O)(=O)NCCCN2CCc3ccccc3C2)c(C)c1C ZINC000223360073 570461738 /nfs/dbraw/zinc/46/17/38/570461738.db2.gz BMVVWWSHPCGEQP-UHFFFAOYSA-N 0 1 388.533 3.039 40 0 GGABMN CCOc1ccc(NS(=O)(=O)c2cc3oc(=O)n(CC)c3cc2Cl)cc1 ZINC000223364371 570461759 /nfs/dbraw/zinc/46/17/59/570461759.db2.gz GWEZESNFFVGNMC-UHFFFAOYSA-N 0 1 396.852 3.467 40 0 GGABMN CCOC(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3O)n[nH]2)cc1 ZINC000006599867 570489624 /nfs/dbraw/zinc/48/96/24/570489624.db2.gz FAJNNLOIRBBSRP-UHFFFAOYSA-N 0 1 398.444 3.085 40 0 GGABMN O=C(CN1CCCCCC1)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000000920705 570536551 /nfs/dbraw/zinc/53/65/51/570536551.db2.gz PXQSDPPDGAHNAB-UHFFFAOYSA-N 0 1 393.553 3.112 40 0 GGABMN COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)C[N@H+]1C[C@]2(C)C[C@H]1C(C)(C)C2 ZINC000002258259 570542882 /nfs/dbraw/zinc/54/28/82/570542882.db2.gz PNGYQVPOHFUMSP-KSFYIVLOSA-N 0 1 399.491 3.412 40 0 GGABMN COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CN1C[C@]2(C)C[C@H]1C(C)(C)C2 ZINC000002258259 570542885 /nfs/dbraw/zinc/54/28/85/570542885.db2.gz PNGYQVPOHFUMSP-KSFYIVLOSA-N 0 1 399.491 3.412 40 0 GGABMN Cc1ccc2nc(CN3CCN(Cc4ccc(C(C)C)cc4)CC3)cc(=O)n2c1 ZINC000022776309 570544679 /nfs/dbraw/zinc/54/46/79/570544679.db2.gz NJRMOZPTHJCKLE-UHFFFAOYSA-N 0 1 390.531 3.444 40 0 GGABMN COc1ccc(NC(=O)C[C@H]2SC(=N)N(c3ccccc3)C2=O)c(OC)c1 ZINC000004384564 570626602 /nfs/dbraw/zinc/62/66/02/570626602.db2.gz HTUBGENRNXQHFQ-MRXNPFEDSA-N 0 1 385.445 3.116 40 0 GGABMN COc1ccc(NC(=O)CN2CCC(n3nnc4cc(C)ccc43)CC2)cc1 ZINC000004895331 570637056 /nfs/dbraw/zinc/63/70/56/570637056.db2.gz NKFIOVVBGINZKF-UHFFFAOYSA-N 0 1 379.464 3.024 40 0 GGABMN Cc1ccc(CNC(=O)CN2CCC(n3nnc4cc(C)ccc43)CC2)cc1 ZINC000004895419 570637112 /nfs/dbraw/zinc/63/71/12/570637112.db2.gz CBWHMSZASATQRF-UHFFFAOYSA-N 0 1 377.492 3.001 40 0 GGABMN COc1ccc(CN2CCC(CNS(=O)(=O)Cc3ccccc3)CC2)cc1 ZINC000005001934 570652252 /nfs/dbraw/zinc/65/22/52/570652252.db2.gz IDPVOMTYEOFIPF-UHFFFAOYSA-N 0 1 388.533 3.027 40 0 GGABMN Cc1cc(NC(=O)c2cc(S(=O)(=O)Nc3cccc(O)c3)c(C)s2)no1 ZINC000006680180 570674447 /nfs/dbraw/zinc/67/44/47/570674447.db2.gz WUDAEYMXBFKAQY-UHFFFAOYSA-N 0 1 393.446 3.112 40 0 GGABMN O=C(CSc1nc(C=Cc2ccc(F)cc2)n[nH]1)NCCOc1ccccc1 ZINC000012823346 570722971 /nfs/dbraw/zinc/72/29/71/570722971.db2.gz TZCRZGXMSSXYNN-DHZHZOJOSA-N 0 1 398.463 3.402 40 0 GGABMN CC1(C)[C@H](OC[C@@H](O)CN2CCN(Cc3ccccc3)CC2)[C@]2(C)CC[C@H]1C2 ZINC000033534410 570741488 /nfs/dbraw/zinc/74/14/88/570741488.db2.gz QMLWWGIZZNRUFZ-GRSYGWAWSA-N 0 1 386.580 3.397 40 0 GGABMN CC1(C)[C@H](OC[C@H](O)CN2CCN(Cc3ccccc3)CC2)[C@]2(C)CC[C@H]1C2 ZINC000253479460 570742000 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Cc1nc(N)ncc1C(=O)NC[C@H](c1ccccc1Cl)N1CCCCCC1 ZINC000019659791 571025498 /nfs/dbraw/zinc/02/54/98/571025498.db2.gz OKOYCHWVKQJWJL-GOSISDBHSA-N 0 1 387.915 3.368 40 0 GGABMN COc1ccc(C(=O)Nc2n[nH]c(CC3CCCCC3)n2)cc1N1CCOCC1 ZINC000019664046 571027155 /nfs/dbraw/zinc/02/71/55/571027155.db2.gz RENQTYWPTKTCEA-UHFFFAOYSA-N 0 1 399.495 3.025 40 0 GGABMN COc1ccc(C(=O)Nc2nc(CC3CCCCC3)n[nH]2)cc1N1CCOCC1 ZINC000019664046 571027157 /nfs/dbraw/zinc/02/71/57/571027157.db2.gz RENQTYWPTKTCEA-UHFFFAOYSA-N 0 1 399.495 3.025 40 0 GGABMN O=C(Cc1nc2ccc(Cl)cc2[nH]1)N(Cc1ccccn1)C[C@@H]1CCCO1 ZINC000019665343 571027312 /nfs/dbraw/zinc/02/73/12/571027312.db2.gz CRXLARZWZOQVPB-INIZCTEOSA-N 0 1 384.867 3.362 40 0 GGABMN CCN(CC)C(=O)CN1CCC([C@@H]2CC=CCN(Cc3ccccc3)C2=O)CC1 ZINC000019698359 571031116 /nfs/dbraw/zinc/03/11/16/571031116.db2.gz LPJAKCPUWRIZHU-QFIPXVFZSA-N 0 1 397.563 3.172 40 0 GGABMN Cc1nc([C@H]2CCCCN2C(=O)c2cc(C(C)C)[nH]n2)nc2c1CCCN2C ZINC000019706088 571031899 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40 0 GGABMN CN(C)C(=O)C[C@@H]1CC2(CCN(Cc3cccnc3)CC2)Oc2ccccc21 ZINC000096053163 571097968 /nfs/dbraw/zinc/09/79/68/571097968.db2.gz BBAPLDWPLAQROY-LJQANCHMSA-N 0 1 379.504 3.461 40 0 GGABMN CN(C)C(=O)C[C@H]1CC2(CCN(Cc3cccnc3)CC2)Oc2ccccc21 ZINC000096053164 571098036 /nfs/dbraw/zinc/09/80/36/571098036.db2.gz BBAPLDWPLAQROY-IBGZPJMESA-N 0 1 379.504 3.461 40 0 GGABMN COCCN1C(=O)[C@H](c2ccccc2)CC12CCN(Cc1cccnc1)CC2 ZINC000096061358 571098561 /nfs/dbraw/zinc/09/85/61/571098561.db2.gz XXRCAGCOLVGPNA-NRFANRHFSA-N 0 1 379.504 3.079 40 0 GGABMN C[N@H+]1CCC[C@H](CNc2ccc(C(=O)[O-])nn2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000563205821 600396712 /nfs/dbraw/zinc/39/67/12/600396712.db2.gz WEJLFFAXQAKIOP-DYVFJYSZSA-N 0 1 394.397 3.111 40 0 GGABMN O=C1CCc2cc(S(=O)(=O)Nc3nc4c(s3)CCCCC4)ccc2N1 ZINC000032888165 654609028 /nfs/dbraw/zinc/60/90/28/654609028.db2.gz HOQUTLDDZRKQMX-UHFFFAOYSA-N 0 1 377.491 3.098 40 0 GGABMN COc1ccccc1N1C(=O)/C(=C/c2ccc(OC(C)C)cc2)C(=O)NC1=S ZINC000006345680 1398543780 /nfs/dbraw/zinc/54/37/80/1398543780.db2.gz GFYDNPDFDVXYHV-FOWTUZBSSA-N 0 1 396.468 3.314 40 0 GGABMN Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 ZINC000006627548 1398563622 /nfs/dbraw/zinc/56/36/22/1398563622.db2.gz OLHZIFXAZQIKQC-LDADJPATSA-N 0 1 375.384 3.041 40 0 GGABMN CCOc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c1O ZINC000006958568 1398576815 /nfs/dbraw/zinc/57/68/15/1398576815.db2.gz UJECPKYUYFCEHW-CXUHLZMHSA-N 0 1 397.387 3.100 40 0 GGABMN CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(OCC)c(OCC)c1 ZINC000007360589 1398659812 /nfs/dbraw/zinc/65/98/12/1398659812.db2.gz OTACTIYYCPWNGL-UHFFFAOYSA-N 0 1 393.461 3.462 40 0 GGABMN COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=O)N(C2CCCC2)C1=O ZINC000007495343 1398690646 /nfs/dbraw/zinc/69/06/46/1398690646.db2.gz RDVBLMVTPKDGJQ-QGOAFFKASA-N 0 1 397.475 3.090 40 0 GGABMN Cc1cc(N2CCCC2)c(F)cc1/C=C1\C(=O)NC(=O)N(C2CCCC2)C1=O ZINC000007495367 1398690929 /nfs/dbraw/zinc/69/09/29/1398690929.db2.gz YCHCPRSNIUHLIA-LFIBNONCSA-N 0 1 385.439 3.139 40 0 GGABMN CC(=O)Nc1cccc(-c2n[nH]c(SCC(=O)Nc3ccc(C)cc3)n2)c1 ZINC000007605325 1398712164 /nfs/dbraw/zinc/71/21/64/1398712164.db2.gz GMEQBAFWIDOCCB-UHFFFAOYSA-N 0 1 381.461 3.469 40 0 GGABMN COc1ccc(OC)c(NC(=O)CSc2nc(Cc3ccccc3)n[nH]2)c1 ZINC000007604935 1398712282 /nfs/dbraw/zinc/71/22/82/1398712282.db2.gz IZRLHLGZTPWJQT-UHFFFAOYSA-N 0 1 384.461 3.144 40 0 GGABMN COc1ccccc1NC(=O)CSc1nc(-c2cccc(NC(C)=O)c2)n[nH]1 ZINC000007605404 1398712532 /nfs/dbraw/zinc/71/25/32/1398712532.db2.gz WBNSRFQKUHADIR-UHFFFAOYSA-N 0 1 397.460 3.170 40 0 GGABMN COc1ccc(C(=O)CSc2nc(-c3cc(OC)cc(OC)c3)n[nH]2)cc1 ZINC000007604957 1398712577 /nfs/dbraw/zinc/71/25/77/1398712577.db2.gz ABWWTUQCNHGKLH-UHFFFAOYSA-N 0 1 385.445 3.473 40 0 GGABMN CC(=O)Nc1cccc(-c2n[nH]c(Sc3ccc(C=O)cc3[N+](=O)[O-])n2)c1 ZINC000007610275 1398712973 /nfs/dbraw/zinc/71/29/73/1398712973.db2.gz VWPVHXPUIJNPMC-UHFFFAOYSA-N 0 1 383.389 3.302 40 0 GGABMN Cc1cccn2c(=O)cc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)nc12 ZINC000008073996 1398800331 /nfs/dbraw/zinc/80/03/31/1398800331.db2.gz TUMLIDCVFVGMNB-SFHVURJKSA-N 0 1 377.444 3.111 40 0 GGABMN CCc1ccc(N2C(=O)/C(=C/c3ccc(C)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1 ZINC000008200788 1398813106 /nfs/dbraw/zinc/81/31/06/1398813106.db2.gz PVLUIXFFIMAYSA-MHWRWJLKSA-N 0 1 395.440 3.297 40 0 GGABMN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OC ZINC000008477376 1398833595 /nfs/dbraw/zinc/83/35/95/1398833595.db2.gz OWSQGUVUYFCTMF-XDUBLRSXSA-N 0 1 386.448 3.277 40 0 GGABMN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OC ZINC000008477374 1398833721 /nfs/dbraw/zinc/83/37/21/1398833721.db2.gz OWSQGUVUYFCTMF-KWWJGWKXSA-N 0 1 386.448 3.277 40 0 GGABMN C[C@@H](C(=O)NC(=O)NCc1ccccc1)N(C)CCOc1ccc(Cl)cc1 ZINC000008532564 1398837731 /nfs/dbraw/zinc/83/77/31/1398837731.db2.gz RTXYVMUHQAQEIA-HNNXBMFYSA-N 0 1 389.883 3.065 40 0 GGABMN Cc1nc(-c2cccs2)cc([C@H]2C[N@@H+]3CC[C@H]2C[C@@H]3CNC(=O)NC(C)C)n1 ZINC000008622840 1398841960 /nfs/dbraw/zinc/84/19/60/1398841960.db2.gz OVIUAXANCYGBTG-BBWFWOEESA-N 0 1 399.564 3.399 40 0 biogenic,in-vitro GGABMN Cc1nc(-c2cccs2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)NC(C)C)n1 ZINC000008622840 1398841961 /nfs/dbraw/zinc/84/19/61/1398841961.db2.gz OVIUAXANCYGBTG-BBWFWOEESA-N 0 1 399.564 3.399 40 0 biogenic,in-vitro GGABMN CNC(=O)c1ccc(NC(=O)CN2CCC(c3c[nH]c4ccccc43)CC2)cc1 ZINC000008705586 1398844008 /nfs/dbraw/zinc/84/40/08/1398844008.db2.gz QUWDYHLCGFZFOV-UHFFFAOYSA-N 0 1 390.487 3.346 40 0 GGABMN COC(=O)C1C(CN2C[C@H](C)C[C@@H](C)C2)=NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000017704092 1399288808 /nfs/dbraw/zinc/28/88/08/1399288808.db2.gz QMNXGBKRHCNDKP-STXHMFSFSA-N 0 1 385.508 3.062 40 0 GGABMN CCN(C(C)=O)[C@@H]1CCO[C@H](c2ccc(CN(C)Cc3cnn(C)c3)cc2)C1 ZINC000019711943 1399336401 /nfs/dbraw/zinc/33/64/01/1399336401.db2.gz CCSVOQHZCKJNSY-YADHBBJMSA-N 0 1 384.524 3.141 40 0 GGABMN CCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)c2cccc(F)c2)c1 ZINC000020978559 1399358737 /nfs/dbraw/zinc/35/87/37/1399358737.db2.gz KASRBRGLVDWVLZ-UHFFFAOYSA-N 0 1 399.466 3.397 40 0 GGABMN Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1nncs1 ZINC000021216215 1399369923 /nfs/dbraw/zinc/36/99/23/1399369923.db2.gz LRBOCMFKUYALNH-UHFFFAOYSA-N 0 1 392.437 3.039 40 0 GGABMN CCCC1C=C2C(c3ccccc3)=CC(=O)O[C@@H]2[C@@H](CN2CCN(C)CC2)C1=O ZINC000026920191 1399952418 /nfs/dbraw/zinc/95/24/18/1399952418.db2.gz SPWXEQVWOOYPJD-URXFXBBRSA-N 0 1 394.515 3.411 40 0 GGABMN CCCC1C=C2C(c3ccccc3)=CC(=O)O[C@H]2[C@@H](CN2CCN(C)CC2)C1=O ZINC000026920183 1399952638 /nfs/dbraw/zinc/95/26/38/1399952638.db2.gz SPWXEQVWOOYPJD-XUZZJYLKSA-N 0 1 394.515 3.411 40 0 GGABMN CCOC(=O)c1c(NC(=O)CNCc2ccc(F)cc2)sc2c1CCC2 ZINC000057375775 1407600579 /nfs/dbraw/zinc/60/05/79/1407600579.db2.gz UKTAPJBDRSELTL-UHFFFAOYSA-N 0 1 376.453 3.281 40 0 GGABMN Cc1c(NC(=O)[C@@H](C)N(C)Cc2ccccc2C)c(=O)n(-c2ccccc2)n1C ZINC000057530600 1407643843 /nfs/dbraw/zinc/64/38/43/1407643843.db2.gz QBGSKIKPZPIQQB-GOSISDBHSA-N 0 1 392.503 3.252 40 0 GGABMN COC(=O)c1cc(OC)ccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000057996586 1407767997 /nfs/dbraw/zinc/76/79/97/1407767997.db2.gz IQHIWBLDERESMS-UHFFFAOYSA-N 0 1 389.351 3.301 40 0 GGABMN CCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)c2ccccc2)c1 ZINC000059723690 1407924267 /nfs/dbraw/zinc/92/42/67/1407924267.db2.gz KVZXFXLGLJIRLM-UHFFFAOYSA-N 0 1 381.476 3.258 40 0 GGABMN CCOc1cc(-c2nnc([C@H](N)c3ccc(OC)c(OCC)c3)[nH]2)ccc1OC ZINC000095534486 1410315611 /nfs/dbraw/zinc/31/56/11/1410315611.db2.gz IDLCLWDOGSJNEA-LJQANCHMSA-N 0 1 398.463 3.334 40 0 GGABMN Cn1cc(CN2CCC[C@@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)cn1 ZINC000248158933 1433775923 /nfs/dbraw/zinc/77/59/23/1433775923.db2.gz WPJVPLNXOSYJGA-YLJYHZDGSA-N 0 1 395.532 3.260 40 0 GGABMN C[C@@H]1Cc2cc(C(=O)CN3CC[C@H]4CCCC[C@H]4C3)ccc2N1S(C)(=O)=O ZINC000253594185 1433869783 /nfs/dbraw/zinc/86/97/83/1433869783.db2.gz QZLWDXXRMHANNG-NUJGCVRESA-N 0 1 390.549 3.092 40 0 GGABMN O[C@H](COC[C@H]1CCCO1)CN1CCC[C@H]1c1ccc(Br)cc1 ZINC000241383498 231039302 /nfs/dbraw/zinc/03/93/02/231039302.db2.gz MVUTYBPAOJGUCR-KSZLIROESA-N 0 1 384.314 3.143 40 0 GGABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(C)c(C(=O)NCC(C)C)c1 ZINC000408593200 231072423 /nfs/dbraw/zinc/07/24/23/231072423.db2.gz MZBFAATYUIPRCK-UHFFFAOYSA-N 0 1 390.505 3.499 40 0 GGABMN Cc1ccc(C(=O)N2CC[NH+]([C@@H](CCC(=O)[O-])c3ccc(F)cc3)CC2)cc1 ZINC000408603998 231076376 /nfs/dbraw/zinc/07/63/76/231076376.db2.gz CPAHMKUSIPHVIR-FQEVSTJZSA-N 0 1 384.451 3.498 40 0 GGABMN Cc1ccc(C(=O)N2CC[NH+]([C@H](CCC(=O)[O-])c3ccc(F)cc3)CC2)cc1 ZINC000408604004 231076538 /nfs/dbraw/zinc/07/65/38/231076538.db2.gz CPAHMKUSIPHVIR-HXUWFJFHSA-N 0 1 384.451 3.498 40 0 GGABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(C)c(C(=O)NC(C)C)c1 ZINC000408605680 231077536 /nfs/dbraw/zinc/07/75/36/231077536.db2.gz NGIRDTOLGIOLIC-UHFFFAOYSA-N 0 1 376.478 3.251 40 0 GGABMN Cc1nc(-c2ccccc2)cc([C@H]2C[N@H+]3CC[C@H]2C[C@@H]3CNC(=O)C2CC2)n1 ZINC000008623060 291128739 /nfs/dbraw/zinc/12/87/39/291128739.db2.gz DFTKRLJICUJVQK-ZCNNSNEGSA-N 0 1 376.504 3.156 40 0 biogenic,in-vitro GGABMN Cc1nc(-c2ccccc2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)C2CC2)n1 ZINC000008623060 291128744 /nfs/dbraw/zinc/12/87/44/291128744.db2.gz DFTKRLJICUJVQK-ZCNNSNEGSA-N 0 1 376.504 3.156 40 0 biogenic,in-vitro GGABMN Cn1ncc2c3nc(-c4cc(-c5ccc(Cl)c(Cl)c5)n[nH]4)nn3cnc21 ZINC000006447554 209125477 /nfs/dbraw/zinc/12/54/77/209125477.db2.gz YRHNFSUJPOPMQX-UHFFFAOYSA-N 0 1 385.218 3.375 40 0 GGABMN Cc1nn(C)c(C)c1C(=O)Nn1c(C)nc2sc3c(c2c1=O)CCCCCC3 ZINC000002778059 209116259 /nfs/dbraw/zinc/11/62/59/209116259.db2.gz DHNNFAHPBSLCQP-UHFFFAOYSA-N 0 1 399.520 3.160 40 0 GGABMN CCn1nc(C)c(S(=O)(=O)Nc2ccc(Br)cc2F)c1F ZINC000252481679 209109788 /nfs/dbraw/zinc/10/97/88/209109788.db2.gz CQHNRGGLCFTNEQ-UHFFFAOYSA-N 0 1 380.214 3.053 40 0 GGABMN CC(C)Cn1cc2c(n1)C1(CCN(Cc3ccc(F)cc3)CC1)CN(C)C2=O ZINC000306143574 209107852 /nfs/dbraw/zinc/10/78/52/209107852.db2.gz YFUULTYUQZAYHJ-UHFFFAOYSA-N 0 1 384.499 3.298 40 0 GGABMN Fc1ccccc1CN1CCC[C@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 ZINC000306145164 209107627 /nfs/dbraw/zinc/10/76/27/209107627.db2.gz ZZVGRIGYJVIAJR-SFHVURJKSA-N 0 1 395.482 3.085 40 0 GGABMN COc1ccccc1N1CCN(C[C@H](O)CCOc2ccc(C)c(C)c2)CC1 ZINC000028295340 206255289 /nfs/dbraw/zinc/25/52/89/206255289.db2.gz VXCBGOJRUREMGY-HXUWFJFHSA-N 0 1 384.520 3.264 40 0 GGABMN CN1CCN(c2ccc(N)cc2NC(=O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000226260221 206259416 /nfs/dbraw/zinc/25/94/16/206259416.db2.gz FLICTTKOUCTCGA-UHFFFAOYSA-N 0 1 396.535 3.336 40 0 GGABMN CN1CCN(c2ccc(NC(=O)c3ccc(Br)cc3)cc2N)CC1 ZINC000226263513 206259422 /nfs/dbraw/zinc/25/94/22/206259422.db2.gz XGDOOVUIUXKPDU-UHFFFAOYSA-N 0 1 389.297 3.035 40 0 GGABMN CC(C)c1ccc(OCC(=O)Nc2cc(N)ccc2N2CCN(C)CC2)cc1 ZINC000226260232 206259451 /nfs/dbraw/zinc/25/94/51/206259451.db2.gz PIZKIOVMUHXWEP-UHFFFAOYSA-N 0 1 382.508 3.162 40 0 GGABMN CCCCOc1cccc(C(=O)Nc2cc(N)ccc2N2CCN(C)CC2)c1 ZINC000226259855 206259474 /nfs/dbraw/zinc/25/94/74/206259474.db2.gz DHJOLXGESWILCZ-UHFFFAOYSA-N 0 1 382.508 3.452 40 0 GGABMN COc1ccc(CN2C[C@@H]3CN(C(=O)c4ccccc4)CCN3C(C)(C)C2)cc1 ZINC000253396286 206281141 /nfs/dbraw/zinc/28/11/41/206281141.db2.gz DNPCHBRYNABFQY-OAQYLSRUSA-N 0 1 393.531 3.116 40 0 biogenic,in-vitro GGABMN Cc1c(C[S@@](=O)c2nc3ccc(O)cc3[nH]2)nccc1OCC(F)(F)F ZINC000000839083 206326357 /nfs/dbraw/zinc/32/63/57/206326357.db2.gz IDCLTMRSSAXUNY-SANMLTNESA-N 0 1 385.367 3.221 40 0 endogenous,world GGABMN COc1ccc(OC)c([C@H]2NC(=S)NC(C)=C2C(=O)O[C@H]2CCC[C@@H]2C)c1 ZINC000004141508 206503149 /nfs/dbraw/zinc/50/31/49/206503149.db2.gz RZDOTCZXBHELGP-GEWABHDNSA-N 0 1 390.505 3.228 40 0 GGABMN COc1ccc(-c2csc(NC(=O)[C@@H](CC(=O)[O-])[NH+]3CCCCC3)n2)cc1 ZINC000004487229 206522456 /nfs/dbraw/zinc/52/24/56/206522456.db2.gz UHRBUKQQKDPTEE-MRXNPFEDSA-N 0 1 389.477 3.086 40 0 GGABMN CCCC(=O)N1CC[C@]2(c3ccccc3)CC[C@@H](N3CCN(C(C)=O)CC3)C[C@H]12 ZINC000306141878 209106907 /nfs/dbraw/zinc/10/69/07/209106907.db2.gz WIYDAJJBVCAATR-GPXNEJASSA-N 0 1 397.563 3.042 40 0 GGABMN COCC(=O)N[C@H]1CCCC[C@@]12CN(Cc1csc3ccccc13)CCO2 ZINC000306138865 209106673 /nfs/dbraw/zinc/10/66/73/209106673.db2.gz SJPBPYSGFMLMAZ-PZJWPPBQSA-N 0 1 388.533 3.178 40 0 GGABMN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000016100036 207071766 /nfs/dbraw/zinc/07/17/66/207071766.db2.gz OAJGRCMPOXWTDI-UHFFFAOYSA-N 0 1 399.266 3.217 40 0 GGABMN COc1ccc(OCC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)cc1 ZINC000017911547 207090748 /nfs/dbraw/zinc/09/07/48/207090748.db2.gz JSHOYTBLRSUXGJ-NRFANRHFSA-N 0 1 384.476 3.036 40 0 GGABMN CC(=O)N1CCc2nc([C@H]3CCCN(Cc4ccccc4Cl)C3)ncc2C1 ZINC000019018410 207099170 /nfs/dbraw/zinc/09/91/70/207099170.db2.gz DFNGQPPLYXDWAL-KRWDZBQOSA-N 0 1 384.911 3.414 40 0 GGABMN O=C(C1CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019014799 207099954 /nfs/dbraw/zinc/09/99/54/207099954.db2.gz PVEWIGLFAIFTFU-HXUWFJFHSA-N 0 1 398.551 3.172 40 0 GGABMN O=C(C1CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019014799 207099958 /nfs/dbraw/zinc/09/99/58/207099958.db2.gz PVEWIGLFAIFTFU-HXUWFJFHSA-N 0 1 398.551 3.172 40 0 GGABMN COc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)[C@H](C)n2cc(Cl)cn2)cc1 ZINC000019079523 207101055 /nfs/dbraw/zinc/10/10/55/207101055.db2.gz KROJCANFOYWRNI-SGTLLEGYSA-N 0 1 385.855 3.004 40 0 GGABMN COc1ccc([C@@H]2c3[nH]cnc3CCN2C(=O)[C@@H](C)Oc2ccccc2F)cc1 ZINC000019079507 207101437 /nfs/dbraw/zinc/10/14/37/207101437.db2.gz GJOAUNXQWCUCMD-SPLOXXLWSA-N 0 1 395.434 3.499 40 0 GGABMN COc1ccc(F)c(CN2CCC[C@@H](c3n[nH]c(=O)cc3-c3cc(C)no3)C2)c1 ZINC000019121171 207102244 /nfs/dbraw/zinc/10/22/44/207102244.db2.gz FFMYRZWCSTXJPU-CQSZACIVSA-N 0 1 398.438 3.261 40 0 GGABMN COc1cc(C)ccc1C[N@@H+]1CC[C@@H](c2cc(=O)[n-]c(-c3ccccn3)n2)C1 ZINC000019133873 207103952 /nfs/dbraw/zinc/10/39/52/207103952.db2.gz ZMXSPPAKGPQXPA-MRXNPFEDSA-N 0 1 376.460 3.138 40 0 GGABMN COc1cc(C)ccc1C[N@H+]1CC[C@@H](c2cc(=O)[n-]c(-c3ccccn3)n2)C1 ZINC000019133873 207103957 /nfs/dbraw/zinc/10/39/57/207103957.db2.gz ZMXSPPAKGPQXPA-MRXNPFEDSA-N 0 1 376.460 3.138 40 0 GGABMN Cc1nc(C)n([C@H](C)CNC(=O)C2CCN(Cc3ccccc3Cl)CC2)n1 ZINC000019285678 207110558 /nfs/dbraw/zinc/11/05/58/207110558.db2.gz RWVGGHYWVKJKAK-CQSZACIVSA-N 0 1 389.931 3.138 40 0 GGABMN CNc1cc(C[C@@H](NC(=O)CN2CCCC2)c2cccc(C)c2)nc(C2CC2)n1 ZINC000019234477 207109502 /nfs/dbraw/zinc/10/95/02/207109502.db2.gz LHEHBAXLPIEAHV-HXUWFJFHSA-N 0 1 393.535 3.200 40 0 GGABMN Cn1ccnc1[C@@H](O)c1cccc(F)c1N1CCN(CCc2ccccc2)CC1 ZINC000019291261 207113205 /nfs/dbraw/zinc/11/32/05/207113205.db2.gz HUWKYVZOXRTQNZ-QFIPXVFZSA-N 0 1 394.494 3.006 40 0 GGABMN COc1ccccc1CC(=O)NCc1ccc(-c2cc(CN(C)C)n(C)n2)cc1 ZINC000019288878 207113290 /nfs/dbraw/zinc/11/32/90/207113290.db2.gz ISBJFTLPDOBBGW-UHFFFAOYSA-N 0 1 392.503 3.016 40 0 GGABMN CSc1nnc([C@H]2CCCN2C(=O)[C@H](c2ccccc2)N2CCCCC2)n1C ZINC000019289267 207113832 /nfs/dbraw/zinc/11/38/32/207113832.db2.gz DEMKEVCJZYSEPF-MSOLQXFVSA-N 0 1 399.564 3.428 40 0 GGABMN O=c1cc(-c2ccncc2)nc(C2CCN(Cc3ccc(F)c(F)c3)CC2)[nH]1 ZINC000019292876 207114719 /nfs/dbraw/zinc/11/47/19/207114719.db2.gz VNDWTGKAMGWOCW-UHFFFAOYSA-N 0 1 382.414 3.490 40 0 GGABMN NC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)c2ccn[nH]2)C1 ZINC000019374257 207120275 /nfs/dbraw/zinc/12/02/75/207120275.db2.gz LRCZLEXMZJHFIN-HSZRJFAPSA-N 0 1 388.471 3.027 40 0 GGABMN C[C@@H]1CN(CCC(=O)N2CCC[C@H](c3nc4ccccc4cc3N)C2)C[C@H](C)O1 ZINC000019497501 207125134 /nfs/dbraw/zinc/12/51/34/207125134.db2.gz ABIRWLQPCALRDR-SCTDSRPQSA-N 0 1 396.535 3.022 40 0 GGABMN CC1CCC([N@@H+]2CCc3nc([C@@H]4CCCN4C(=O)C4CC4)[n-]c(=O)c3C2)CC1 ZINC000019495973 207125176 /nfs/dbraw/zinc/12/51/76/207125176.db2.gz DWDDHBCGBTYEBV-KJXMEXGPSA-N 0 1 384.524 3.193 40 0 GGABMN CC1CCC([N@H+]2CCc3nc([C@@H]4CCCN4C(=O)C4CC4)[n-]c(=O)c3C2)CC1 ZINC000019495973 207125181 /nfs/dbraw/zinc/12/51/81/207125181.db2.gz DWDDHBCGBTYEBV-KJXMEXGPSA-N 0 1 384.524 3.193 40 0 GGABMN CCCC(=O)N1CCCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@H+](C(C)C)CC3 ZINC000019501384 207126351 /nfs/dbraw/zinc/12/63/51/207126351.db2.gz LLANTWOLMDSOQA-GOSISDBHSA-N 0 1 385.512 3.055 40 0 GGABMN CCCN1CCN(Cc2nc(-c3ccc(-c4ccnc(C)n4)cc3)no2)CC1 ZINC000019503475 207126546 /nfs/dbraw/zinc/12/65/46/207126546.db2.gz SRPISMCSCYXWDN-UHFFFAOYSA-N 0 1 378.480 3.030 40 0 GGABMN CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@H+](C(C)C)CC3 ZINC000019499890 207126671 /nfs/dbraw/zinc/12/66/71/207126671.db2.gz RBJHZSBWJHLSHB-BEFAXECRSA-N 0 1 399.539 3.301 40 0 GGABMN CCCNC(=O)c1cc([C@H]2CCCN(Cc3c(C)nc4ccccn43)C2)no1 ZINC000019503668 207127354 /nfs/dbraw/zinc/12/73/54/207127354.db2.gz KMOAFEWLYOAMED-INIZCTEOSA-N 0 1 381.480 3.150 40 0 GGABMN CCN(CC)[C@@H](CNC(=O)c1c(C)cc(C)n(C)c1=O)c1ccccc1Cl ZINC000019526294 207128551 /nfs/dbraw/zinc/12/85/51/207128551.db2.gz RYUXIOCSZOWZLY-SFHVURJKSA-N 0 1 389.927 3.468 40 0 GGABMN CCOc1ccc([C@H](CNC(=O)c2c3c(nn2C)CCCC3)N2CCCC2)cc1 ZINC000019532701 207129849 /nfs/dbraw/zinc/12/98/49/207129849.db2.gz JBMVDZGCUVCMIU-NRFANRHFSA-N 0 1 396.535 3.265 40 0 GGABMN CCN1CCN(c2ncc(-c3nccn3C)c(-c3ccc(Cl)cc3)n2)CC1 ZINC000019528248 207130453 /nfs/dbraw/zinc/13/04/53/207130453.db2.gz IVSOYEPFSJFADJ-UHFFFAOYSA-N 0 1 382.899 3.339 40 0 GGABMN O=c1cc([C@@H]2CCC[N@@H+](Cc3cc(F)cc(F)c3)C2)nc(-c2ccccn2)[n-]1 ZINC000019402764 207121055 /nfs/dbraw/zinc/12/10/55/207121055.db2.gz NFVSKUNPNIEMCV-OAHLLOKOSA-N 0 1 382.414 3.490 40 0 GGABMN O=c1cc([C@@H]2CCC[N@H+](Cc3cc(F)cc(F)c3)C2)nc(-c2ccccn2)[n-]1 ZINC000019402764 207121060 /nfs/dbraw/zinc/12/10/60/207121060.db2.gz NFVSKUNPNIEMCV-OAHLLOKOSA-N 0 1 382.414 3.490 40 0 GGABMN CC(C)Oc1ccc(C[N@@H+]2CCc3nc(-c4ccccn4)[n-]c(=O)c3C2)cc1 ZINC000019450666 207121607 /nfs/dbraw/zinc/12/16/07/207121607.db2.gz LOPTWGSJJXPERL-UHFFFAOYSA-N 0 1 376.460 3.177 40 0 GGABMN CC(C)Oc1ccc(C[N@H+]2CCc3nc(-c4ccccn4)[n-]c(=O)c3C2)cc1 ZINC000019450666 207121611 /nfs/dbraw/zinc/12/16/11/207121611.db2.gz LOPTWGSJJXPERL-UHFFFAOYSA-N 0 1 376.460 3.177 40 0 GGABMN O=c1cc([C@@H]2CCCN(Cc3cccc(F)c3F)C2)nc(-c2ccccn2)[nH]1 ZINC000019402775 207122050 /nfs/dbraw/zinc/12/20/50/207122050.db2.gz KSUIXAOQQUJBDR-CQSZACIVSA-N 0 1 382.414 3.490 40 0 GGABMN O=c1cc([C@@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)nc(-c2ccccn2)[n-]1 ZINC000019402770 207122146 /nfs/dbraw/zinc/12/21/46/207122146.db2.gz AICBSQGNXUYSHO-OAHLLOKOSA-N 0 1 382.414 3.490 40 0 GGABMN O=c1cc([C@@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)nc(-c2ccccn2)[n-]1 ZINC000019402770 207122151 /nfs/dbraw/zinc/12/21/51/207122151.db2.gz AICBSQGNXUYSHO-OAHLLOKOSA-N 0 1 382.414 3.490 40 0 GGABMN COc1cccc(-c2cc(C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)[nH]n2)c1 ZINC000019462202 207123221 /nfs/dbraw/zinc/12/32/21/207123221.db2.gz UIIWOLZPUSDOSE-LLVKDONJSA-N 0 1 378.388 3.057 40 0 GGABMN Cc1nn(C)c(C)c1CN(C(=O)CN1CCC(c2ccccc2)CC1)C1CC1 ZINC000019577784 207138579 /nfs/dbraw/zinc/13/85/79/207138579.db2.gz HQNKNBLCNJOHAN-UHFFFAOYSA-N 0 1 380.536 3.408 40 0 GGABMN CN(Cc1nc2ccc(Cl)cc2[nH]1)C(=O)COc1ccc2nsnc2c1 ZINC000019586295 207139278 /nfs/dbraw/zinc/13/92/78/207139278.db2.gz NNZSERUNLSAYPJ-UHFFFAOYSA-N 0 1 387.852 3.258 40 0 GGABMN Cc1oc2ccc(O)cc2c1C(=O)NC[C@@H](c1ccccc1)N1CCN(C)CC1 ZINC000019581568 207139513 /nfs/dbraw/zinc/13/95/13/207139513.db2.gz ZZVOVQXKPXRXDT-FQEVSTJZSA-N 0 1 393.487 3.165 40 0 GGABMN COc1ccc(CN2CCC[C@@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)c(F)c1 ZINC000019551775 207132411 /nfs/dbraw/zinc/13/24/11/207132411.db2.gz RHFNXIVBYOADSS-QGZVFWFLSA-N 0 1 394.450 3.359 40 0 GGABMN CC(C)c1cc(C(=O)NC[C@@H](c2ccccc2)N2CCCCC2)nn2cnnc12 ZINC000019662660 207147395 /nfs/dbraw/zinc/14/73/95/207147395.db2.gz OVAFYOXRUNBEFH-FQEVSTJZSA-N 0 1 392.507 3.205 40 0 GGABMN CCN(CC)C(=O)CN1CCC[C@H](c2nc(N(C)C)ncc2-c2ccccc2)C1 ZINC000019694704 207149038 /nfs/dbraw/zinc/14/90/38/207149038.db2.gz FUAIXCCAYRWWJG-IBGZPJMESA-N 0 1 395.551 3.257 40 0 GGABMN CN(C)c1ncc(-c2ccccc2)c([C@H]2CCCN(CC(=O)N3CCCC3)C2)n1 ZINC000019694668 207149251 /nfs/dbraw/zinc/14/92/51/207149251.db2.gz JPOSUVLCCCTHLC-IBGZPJMESA-N 0 1 393.535 3.011 40 0 GGABMN CN1CCN(Cc2ccncc2)C[C@H](Cc2cccc(-c3ccncc3)c2)C1=O ZINC000019589576 207141499 /nfs/dbraw/zinc/14/14/99/207141499.db2.gz PRVKMAHRUJNIJS-QHCPKHFHSA-N 0 1 386.499 3.277 40 0 GGABMN CN1CCN(Cc2cccnc2)C[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019589559 207142773 /nfs/dbraw/zinc/14/27/73/207142773.db2.gz RICJWWFKHYCVPD-HSZRJFAPSA-N 0 1 386.499 3.277 40 0 GGABMN COCCNC(=O)c1cc([C@H]2CCCN(Cc3ccc(Cl)cc3)C2)no1 ZINC000019593532 207143997 /nfs/dbraw/zinc/14/39/97/207143997.db2.gz CRRDFITZJVPTBY-HNNXBMFYSA-N 0 1 377.872 3.084 40 0 GGABMN COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)Cc2ccc3nc[nH]c3c2)cc1 ZINC000019654735 207145556 /nfs/dbraw/zinc/14/55/56/207145556.db2.gz PQTJGHYRSYQIGJ-JOCHJYFZSA-N 0 1 387.443 3.011 40 0 GGABMN COc1ccc(OC)c([C@@H]2CCCN2Cc2ccc3c(c2)n(C)c(=O)n3C)c1 ZINC000019657827 207145579 /nfs/dbraw/zinc/14/55/79/207145579.db2.gz USKDLWIHMXRFKS-SFHVURJKSA-N 0 1 381.476 3.231 40 0 GGABMN Cc1nn(C)c2nc(C)cc(C(=O)NC[C@H](c3cccc(Cl)c3)N(C)C)c12 ZINC000019662787 207146589 /nfs/dbraw/zinc/14/65/89/207146589.db2.gz FACJUQWQCGNMTG-QGZVFWFLSA-N 0 1 385.899 3.271 40 0 GGABMN COc1cccc([C@@H](CNC(=O)c2cc(C)nc3onc(C)c32)N2CCCC2)c1 ZINC000019662732 207146802 /nfs/dbraw/zinc/14/68/02/207146802.db2.gz DPUYPIUFXHFNDZ-LJQANCHMSA-N 0 1 394.475 3.415 40 0 GGABMN O=C(Nc1ccc(F)cc1)c1ccc([C@H]2CCCN(C(=O)c3ccn[nH]3)C2)nc1 ZINC000019705541 207150607 /nfs/dbraw/zinc/15/06/07/207150607.db2.gz XHHKUMYTXXAPIG-HNNXBMFYSA-N 0 1 393.422 3.216 40 0 GGABMN O=C(Nc1cccc(-c2nnc[nH]2)c1)c1cc(COc2ccc(F)cc2)on1 ZINC000019714669 207152395 /nfs/dbraw/zinc/15/23/95/207152395.db2.gz OHAQMJJTTOVVGB-UHFFFAOYSA-N 0 1 379.351 3.430 40 0 GGABMN CC(=O)N1CCc2nc([C@H]3CCCN(C)C3)nc(NCC3CCCCC3)c2C1 ZINC000019711470 207152448 /nfs/dbraw/zinc/15/24/48/207152448.db2.gz PMEUTHZAYFXISY-SFHVURJKSA-N 0 1 385.556 3.183 40 0 GGABMN Cc1c(CN2CCC[C@@H](c3nc(C)c4c(n3)N(CC3CC3)CCC4)C2)cnn1C ZINC000019752565 207159672 /nfs/dbraw/zinc/15/96/72/207159672.db2.gz WFFRVIMLQDTVOP-LJQANCHMSA-N 0 1 394.567 3.369 40 0 GGABMN O=C(NC1CCN(Cc2ccccn2)CC1)c1cccc(Nc2ncccn2)c1 ZINC000019716308 207154579 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GGABMN COc1ccc(-c2cnc3n2C[C@]2(CCN(Cc4ccccn4)C2)OC3)cc1 ZINC000306127973 209099464 /nfs/dbraw/zinc/09/94/64/209099464.db2.gz GMNUPQRJUVORGM-JOCHJYFZSA-N 0 1 376.460 3.129 40 0 GGABMN CC(=O)NCc1ccc(C(=O)Nc2cccc(CN3CCSCC3)c2)cc1 ZINC000060220708 209001360 /nfs/dbraw/zinc/00/13/60/209001360.db2.gz QCAUZVXIRVKLBO-UHFFFAOYSA-N 0 1 383.517 3.124 40 0 GGABMN O=c1cc(C(F)(F)F)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[nH]1 ZINC000013611764 209005369 /nfs/dbraw/zinc/00/53/69/209005369.db2.gz NMWHTLKWQMKUCC-UHFFFAOYSA-N 0 1 392.303 3.134 40 0 GGABMN Cc1ccc(CN2C[C@H]3[C@H](C2)N(Cc2cccnc2)C(=O)c2cccn23)s1 ZINC000306129246 209099080 /nfs/dbraw/zinc/09/90/80/209099080.db2.gz HYJCLHZMRQJLEY-PMACEKPBSA-N 0 1 378.501 3.335 40 0 GGABMN Cc1nc(COC[C@@H]2CCN(C)C3(CN(C(=O)CCC(C)C)C3)C2)cs1 ZINC000306125592 209097366 /nfs/dbraw/zinc/09/73/66/209097366.db2.gz CVBPNBIZDIHEBW-QGZVFWFLSA-N 0 1 379.570 3.327 40 0 GGABMN COc1ncccc1CN1CCC[C@@H](c2nc3ccc(N4CCCC4)cn3n2)C1 ZINC000306126974 209096629 /nfs/dbraw/zinc/09/66/29/209096629.db2.gz FKQUJNDOLFKPJH-QGZVFWFLSA-N 0 1 392.507 3.113 40 0 GGABMN COc1ccc([C@H](c2c(C)[nH]n(-c3ccccc3)c2=O)N2CCOCC2)cc1 ZINC000103670220 533202177 /nfs/dbraw/zinc/20/21/77/533202177.db2.gz RIOXAWAJNBGQHH-NHCUHLMSSA-N 0 1 379.460 3.107 40 0 GGABMN COc1ccc(CN2C[C@H]3CN(CCCc4ccccc4)CCN3C2=O)cc1 ZINC000096269123 209012925 /nfs/dbraw/zinc/01/29/25/209012925.db2.gz XDYSJCKGEKVEBT-OAQYLSRUSA-N 0 1 379.504 3.250 40 0 biogenic,in-vitro GGABMN CCCN1CCCC[C@@H]1c1cc2nc(C)c(CCC(=O)NC3CC3)c(C)n2n1 ZINC000257200618 209053286 /nfs/dbraw/zinc/05/32/86/209053286.db2.gz AECAWMKPHGSYIR-HXUWFJFHSA-N 0 1 383.540 3.494 40 0 GGABMN CCCN1CCCC[C@H]1c1cc2nc(C)c(CCC(=O)NC3CC3)c(C)n2n1 ZINC000257200617 209053600 /nfs/dbraw/zinc/05/36/00/209053600.db2.gz AECAWMKPHGSYIR-FQEVSTJZSA-N 0 1 383.540 3.494 40 0 GGABMN Cc1c[nH]nc1[C@]1(C)C[N@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)CCO1 ZINC000257207315 209054893 /nfs/dbraw/zinc/05/48/93/209054893.db2.gz BHEXWBNFRQJTER-NRFANRHFSA-N 0 1 381.432 3.424 40 0 GGABMN Cc1c[nH]nc1[C@]1(C)C[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)CCO1 ZINC000257207315 209054895 /nfs/dbraw/zinc/05/48/95/209054895.db2.gz BHEXWBNFRQJTER-NRFANRHFSA-N 0 1 381.432 3.424 40 0 GGABMN C[C@]1(O)CN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC[C@@H]1Oc1ccccc1 ZINC000257251177 209059827 /nfs/dbraw/zinc/05/98/27/209059827.db2.gz JPSYLJNNTYUBIS-UNMCSNQZSA-N 0 1 395.434 3.260 40 0 GGABMN CC(=O)N1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000257247510 209060313 /nfs/dbraw/zinc/06/03/13/209060313.db2.gz IZHZLTUHOGSSRN-FPOVZHCZSA-N 0 1 384.455 3.221 40 0 GGABMN Cc1ncsc1CN1CCC[C@](C)(c2nc3c(c(C)n2)CC(=O)N3C(C)C)C1 ZINC000257253095 209060367 /nfs/dbraw/zinc/06/03/67/209060367.db2.gz JXNOZNPOAJRSJH-NRFANRHFSA-N 0 1 399.564 3.401 40 0 GGABMN CN1CCC[C@@H](NC(=O)C2(Cc3ccc(-c4cccnc4)cc3)CCOCC2)C1 ZINC000257254335 209061014 /nfs/dbraw/zinc/06/10/14/209061014.db2.gz KCQQNSYMPCADMI-JOCHJYFZSA-N 0 1 393.531 3.298 40 0 GGABMN COc1cccc(Cc2cnc([C@H]3CCCN(C(=O)CN4CCCC4)C3)o2)c1 ZINC000257257956 209061522 /nfs/dbraw/zinc/06/15/22/209061522.db2.gz KRTHBIGITOOGFY-SFHVURJKSA-N 0 1 383.492 3.076 40 0 GGABMN CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CCC[N@@H+](CCCC(=O)[O-])[C@@H]3C[C@H]21 ZINC000257269793 209063276 /nfs/dbraw/zinc/06/32/76/209063276.db2.gz MRJRBSBIRVPHML-LFEHRJTNSA-N 0 1 375.465 3.339 40 0 GGABMN O=C(C1CCCC1)N1CCO[C@H](c2cc(CCOc3ccccc3F)[nH]n2)C1 ZINC000257263643 209063414 /nfs/dbraw/zinc/06/34/14/209063414.db2.gz LQVHJUJBFNFWCF-FQEVSTJZSA-N 0 1 387.455 3.260 40 0 GGABMN Fc1ccccc1OCCc1cc([C@@H]2CN(Cc3cccnc3)CCO2)n[nH]1 ZINC000257267404 209063520 /nfs/dbraw/zinc/06/35/20/209063520.db2.gz MHDVAVWQHDKENE-NRFANRHFSA-N 0 1 382.439 3.139 40 0 GGABMN Fc1ccccc1OCCc1cc([C@H]2CN(Cc3cccnc3)CCO2)n[nH]1 ZINC000257267405 209065015 /nfs/dbraw/zinc/06/50/15/209065015.db2.gz MHDVAVWQHDKENE-OAQYLSRUSA-N 0 1 382.439 3.139 40 0 GGABMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H](Cc3nccnc3-c3ncc[nH]3)C2)cc1 ZINC000257285841 209068959 /nfs/dbraw/zinc/06/89/59/209068959.db2.gz PJDFCULCOCEXOX-INIZCTEOSA-N 0 1 377.448 3.020 40 0 GGABMN CCc1ncc(CN2CCC(Cc3cc(Nc4nccs4)ncn3)CC2)cn1 ZINC000257299671 209070656 /nfs/dbraw/zinc/07/06/56/209070656.db2.gz RRAQKDQGOZAZCT-UHFFFAOYSA-N 0 1 395.536 3.484 40 0 GGABMN COc1ccccc1CNc1cc(-c2cn[nH]c2[C@@H]2CCN(C(C)=O)C2)ccn1 ZINC000257309746 209072096 /nfs/dbraw/zinc/07/20/96/209072096.db2.gz UCFVGBHZNGTDHZ-GOSISDBHSA-N 0 1 391.475 3.428 40 0 GGABMN Cc1cccc(N2CCN(CCCNC(=O)CCc3ccccc3F)CC2)c1 ZINC000040082452 132394405 /nfs/dbraw/zinc/39/44/05/132394405.db2.gz OCQPSFKZJKGNDH-UHFFFAOYSA-N 0 1 383.511 3.395 40 0 GGABMN C[C@H](CCc1ccc(O)cc1)NC(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000040104068 132396042 /nfs/dbraw/zinc/39/60/42/132396042.db2.gz ZQABDLPSMIURHL-QGZVFWFLSA-N 0 1 382.508 3.287 40 0 GGABMN c1cn(-c2nc(-c3ccccc3)nc(N3CCN(Cc4ccccc4)CC3)n2)cn1 ZINC000059833525 136155813 /nfs/dbraw/zinc/15/58/13/136155813.db2.gz DDUKPCDXWZKXIU-UHFFFAOYSA-N 0 1 397.486 3.047 40 0 GGABMN CC[C@@H](C)n1nc(-c2ccc(N3CCN(c4ccc(O)cc4)CC3)cc2)[nH]c1=O ZINC000064220070 136156735 /nfs/dbraw/zinc/15/67/35/136156735.db2.gz GQNFCQJGGZWGNK-MRXNPFEDSA-N 0 1 393.491 3.242 40 0 GGABMN CCN1CCN(c2cc(NC(=O)c3ccc(F)cc3)c(Cl)cc2N)CC1 ZINC000072229308 136167707 /nfs/dbraw/zinc/16/77/07/136167707.db2.gz YGGWRSIBXZMFOK-UHFFFAOYSA-N 0 1 376.863 3.456 40 0 GGABMN C[C@H]1CCCN(c2nc3c(c(=O)[n-]2)C[N@H+](Cc2cccc4cccnc42)CC3)C1 ZINC000072389576 136169287 /nfs/dbraw/zinc/16/92/87/136169287.db2.gz ZBPFMDTVBYSDRE-INIZCTEOSA-N 0 1 389.503 3.113 40 0 GGABMN C[C@H]1CCCN(c2nc3c(c(=O)[n-]2)C[N@@H+](Cc2cccc4cccnc42)CC3)C1 ZINC000072389576 136169288 /nfs/dbraw/zinc/16/92/88/136169288.db2.gz ZBPFMDTVBYSDRE-INIZCTEOSA-N 0 1 389.503 3.113 40 0 GGABMN CC[NH+]1CCN(c2ccccc2[N-]S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000007109277 136195160 /nfs/dbraw/zinc/19/51/60/136195160.db2.gz RFQUXKVLYAFXAJ-UHFFFAOYSA-N 0 1 379.913 3.283 40 0 GGABMN NC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)c2ccn[nH]2)CC1 ZINC000257317947 209073768 /nfs/dbraw/zinc/07/37/68/209073768.db2.gz VLVNIKSVMQMDDC-UHFFFAOYSA-N 0 1 394.500 3.089 40 0 GGABMN COc1ccc(CN2CCC(N3CCc4ccccc4C3=O)CC2)c(OC)c1 ZINC000257327581 209075734 /nfs/dbraw/zinc/07/57/34/209075734.db2.gz XBYDFLKVZZJPOK-UHFFFAOYSA-N 0 1 380.488 3.367 40 0 GGABMN COc1cccc([C@@H](O)CN2CC=C(c3cc4nc(C)cc(C)n4n3)CC2)c1 ZINC000072342777 222231602 /nfs/dbraw/zinc/23/16/02/222231602.db2.gz KXFUCZDPIAISSF-NRFANRHFSA-N 0 1 378.476 3.177 40 0 GGABMN Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN(C(=O)c3ccn[nH]3)C2)n1 ZINC000072346147 222233114 /nfs/dbraw/zinc/23/31/14/222233114.db2.gz XGOCCVGWNLUBBM-ZDUSSCGKSA-N 0 1 382.855 3.122 40 0 GGABMN Cc1nc([C@@H]2CCCN(Cc3cnn(C)c3)C2)ncc1C(=O)Nc1ccccc1 ZINC000072345537 222233391 /nfs/dbraw/zinc/23/33/91/222233391.db2.gz YHVXQUINZGLOJN-GOSISDBHSA-N 0 1 390.491 3.150 40 0 GGABMN COc1ccc(OC)c(CNCc2cc(-c3ccc(F)cc3)cn3nnnc23)c1 ZINC000072392362 222248618 /nfs/dbraw/zinc/24/86/18/222248618.db2.gz ACRSPMXNGFCJTQ-UHFFFAOYSA-N 0 1 393.422 3.237 40 0 GGABMN O=c1cc([C@H]2CCCN(Cc3c(F)cccc3F)C2)nc(-c2ccccn2)[nH]1 ZINC000072393229 222250757 /nfs/dbraw/zinc/25/07/57/222250757.db2.gz BKSPGTZKPSZBOK-AWEZNQCLSA-N 0 1 382.414 3.490 40 0 GGABMN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)cc(Cl)c2O)C1=O ZINC000409095458 534226961 /nfs/dbraw/zinc/22/69/61/534226961.db2.gz BGFFONBMHVVSGD-KIUQOZPWSA-N 0 1 376.217 3.297 40 0 GGABMN O=C(Nc1cccc(Cl)c1)c1cnc(NS(=O)(=O)c2ccccc2)nc1 ZINC000408529534 534347628 /nfs/dbraw/zinc/34/76/28/534347628.db2.gz HQIDQEWMGJMGOU-UHFFFAOYSA-N 0 1 388.836 3.183 40 0 GGABMN O=C(Nc1ccccc1Cl)c1cnc(NS(=O)(=O)c2ccccc2)nc1 ZINC000408530550 534392162 /nfs/dbraw/zinc/39/21/62/534392162.db2.gz JROVIHJQQCQSDP-UHFFFAOYSA-N 0 1 388.836 3.183 40 0 GGABMN O=C([O-])CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000408612392 534495549 /nfs/dbraw/zinc/49/55/49/534495549.db2.gz VRODAFNQFFMZKE-LJQANCHMSA-N 0 1 388.414 3.329 40 0 GGABMN C[C@@H]1CN(C(=O)CCCCCn2c(=O)c3ccccc3[nH]c2=S)C[C@@H](C)O1 ZINC000012607590 524766421 /nfs/dbraw/zinc/76/64/21/524766421.db2.gz HQHYPHPFBBYCFV-HUUCEWRRSA-N 0 1 389.521 3.255 40 0 GGABMN CCCNC(=O)c1cc(S(=O)(=O)Nc2cc(C)ccc2OC)ccc1C ZINC000408620913 528443947 /nfs/dbraw/zinc/44/39/47/528443947.db2.gz KGLABUCSZKHJSQ-UHFFFAOYSA-N 0 1 376.478 3.253 40 0 GGABMN CCOc1ccccc1NS(=O)(=O)c1ccc(OC)c(NC(=O)CC)c1 ZINC000408699611 528746089 /nfs/dbraw/zinc/74/60/89/528746089.db2.gz YFCCOCVSSLOQPQ-UHFFFAOYSA-N 0 1 378.450 3.243 40 0 GGABMN CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2OCC)ccc1OC ZINC000408588067 529107628 /nfs/dbraw/zinc/10/76/28/529107628.db2.gz WXLNUTCTXIWQEO-UHFFFAOYSA-N 0 1 394.449 3.463 40 0 GGABMN COc1cccc(N2CCN(C[C@@H](O)CO[C@@H]3CCCc4ccccc43)CC2)c1 ZINC000022132292 537123316 /nfs/dbraw/zinc/12/33/16/537123316.db2.gz BVVLFEFONVYHGK-ZJSXRUAMSA-N 0 1 396.531 3.272 40 0 GGABMN COc1ccc(C[N@H+]2CC[C@@H](CC(=O)[O-])[C@@H](Cc3nc4ccncc4[nH]3)C2)cc1 ZINC000514290320 560029738 /nfs/dbraw/zinc/02/97/38/560029738.db2.gz XGCTUJOTOBVSKI-IRXDYDNUSA-N 0 1 394.475 3.122 40 0 biogenic,in-vitro GGABMN COc1ccc(C[N@@H+]2CC[C@@H](CC(=O)[O-])[C@@H](Cc3nc4cnccc4[nH]3)C2)cc1 ZINC000514290320 560029740 /nfs/dbraw/zinc/02/97/40/560029740.db2.gz XGCTUJOTOBVSKI-IRXDYDNUSA-N 0 1 394.475 3.122 40 0 biogenic,in-vitro GGABMN COc1ccc(C[N@H+]2CC[C@@H](CC(=O)[O-])[C@@H](Cc3nc4cnccc4[nH]3)C2)cc1 ZINC000514290320 560029741 /nfs/dbraw/zinc/02/97/41/560029741.db2.gz XGCTUJOTOBVSKI-IRXDYDNUSA-N 0 1 394.475 3.122 40 0 biogenic,in-vitro GGABMN COc1ccc(C[N@@H+]2CC[C@@H](CC(=O)[O-])[C@@H](Cc3nc4cc[nH]cc-4n3)C2)cc1 ZINC000514290320 560029742 /nfs/dbraw/zinc/02/97/42/560029742.db2.gz XGCTUJOTOBVSKI-IRXDYDNUSA-N 0 1 394.475 3.122 40 0 biogenic,in-vitro GGABMN COc1ccc(C[N@H+]2CC[C@@H](CC(=O)[O-])[C@@H](Cc3nc4cc[nH]cc-4n3)C2)cc1 ZINC000514290320 560029744 /nfs/dbraw/zinc/02/97/44/560029744.db2.gz XGCTUJOTOBVSKI-IRXDYDNUSA-N 0 1 394.475 3.122 40 0 biogenic,in-vitro GGABMN COc1ccc(CN2CC[C@@](C)(O)[C@@H](NC(=O)C3CC3)[C@@H]2c2ccccc2)cc1 ZINC000514289925 560031489 /nfs/dbraw/zinc/03/14/89/560031489.db2.gz NOUQATZVLCCIPO-WPFOTENUSA-N 0 1 394.515 3.288 40 0 biogenic,in-vitro GGABMN O=C([O-])C[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1Cc1nc2cc(F)ccc2[nH]1 ZINC000514288917 560033621 /nfs/dbraw/zinc/03/36/21/560033621.db2.gz LJCRJVBGLBOGBY-GJZGRUSLSA-N 0 1 382.439 3.253 40 0 biogenic,in-vitro GGABMN O=C([O-])C[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1Cc1nc2ccc(F)cc2[nH]1 ZINC000514288917 560033623 /nfs/dbraw/zinc/03/36/23/560033623.db2.gz LJCRJVBGLBOGBY-GJZGRUSLSA-N 0 1 382.439 3.253 40 0 biogenic,in-vitro GGABMN O=C([O-])C[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1Cc1nc2ccc(F)cc2[nH]1 ZINC000514288917 560033625 /nfs/dbraw/zinc/03/36/25/560033625.db2.gz LJCRJVBGLBOGBY-GJZGRUSLSA-N 0 1 382.439 3.253 40 0 biogenic,in-vitro GGABMN COc1cccc2[nH]c(C[C@H]3C[N@@H+](Cc4ccccn4)CC[C@H]3CC(=O)[O-])nc21 ZINC000514288690 560034131 /nfs/dbraw/zinc/03/41/31/560034131.db2.gz KQVCQWMUIAIDOK-HOTGVXAUSA-N 0 1 394.475 3.122 40 0 biogenic,in-vitro GGABMN O=C(NCc1ccc(Cl)cc1)[C@@H]1Cc2nc[nH]c2CN1Cc1cccs1 ZINC000015676387 560094644 /nfs/dbraw/zinc/09/46/44/560094644.db2.gz BTXNHBJEHJZGQR-SFHVURJKSA-N 0 1 386.908 3.368 40 0 biogenic,in-vitro GGABMN O=C(CSc1nc(-c2cccnc2)n[nH]1)Nc1ccc(Br)cc1 ZINC000005522286 564217545 /nfs/dbraw/zinc/21/75/45/564217545.db2.gz CJXWONIACMEUMR-UHFFFAOYSA-N 0 1 390.266 3.360 40 0 GGABMN O=C(CC1C(=O)Nc2ccccc2[S@@]1=O)Nc1cc(Cl)ccc1Cl ZINC000005721947 564218458 /nfs/dbraw/zinc/21/84/58/564218458.db2.gz JOYSVACVDYUTMT-JBEBIEQOSA-N 0 1 383.256 3.451 40 0 GGABMN CNC(=O)c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(C)s1 ZINC000006679998 564226402 /nfs/dbraw/zinc/22/64/02/564226402.db2.gz REPFJAJSGYUHKG-UHFFFAOYSA-N 0 1 378.397 3.236 40 0 GGABMN CC(C)c1cc(NC(=O)COC(=O)c2ccc(O)c(Br)c2)on1 ZINC000006881624 564228757 /nfs/dbraw/zinc/22/87/57/564228757.db2.gz HZUNZFUQUHPPJO-UHFFFAOYSA-N 0 1 383.198 3.062 40 0 GGABMN COc1ccc(Br)cc1S(=O)(=O)Nc1cccc(NC(C)=O)c1 ZINC000007053985 564232057 /nfs/dbraw/zinc/23/20/57/564232057.db2.gz LSHAOWRYSSHUGQ-UHFFFAOYSA-N 0 1 399.266 3.217 40 0 GGABMN COc1ccccc1N1C(=O)/C(=C/c2ccc(Cl)s2)C(=O)NC1=S ZINC000008169232 564247046 /nfs/dbraw/zinc/24/70/46/564247046.db2.gz GILBCOAVFCDLBE-CSKARUKUSA-N 0 1 378.862 3.241 40 0 GGABMN CCc1ccc2nc(NC(=O)c3ccccc3NS(C)(=O)=O)sc2c1 ZINC000012769540 564270682 /nfs/dbraw/zinc/27/06/82/564270682.db2.gz UYRUNQVWTURCEF-UHFFFAOYSA-N 0 1 375.475 3.483 40 0 GGABMN C[C@H](CNC(=O)c1cc(Br)c(Br)s1)N1CCCC1 ZINC000042503353 564446826 /nfs/dbraw/zinc/44/68/26/564446826.db2.gz OFTRRSZNGPUQRR-MRVPVSSYSA-N 0 1 396.148 3.487 40 0 GGABMN O[C@H](COC[C@@H]1CCCO1)CN1CCC[C@H]1c1ccc(Br)cc1 ZINC000059384292 564693625 /nfs/dbraw/zinc/69/36/25/564693625.db2.gz MVUTYBPAOJGUCR-BZSNNMDCSA-N 0 1 384.314 3.143 40 0 GGABMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C ZINC000064946775 564736172 /nfs/dbraw/zinc/73/61/72/564736172.db2.gz WOKKFCUSBIEURO-UHFFFAOYSA-N 0 1 384.866 3.063 40 0 GGABMN O=C1NC(=O)/C(=C\c2cc(Br)ccc2OCc2cccc(F)c2)N1 ZINC000207180569 565894931 /nfs/dbraw/zinc/89/49/31/565894931.db2.gz HSCDWSUHRXTECD-RIYZIHGNSA-N 0 1 391.196 3.348 40 0 GGABMN O=S(=O)(Cc1c(F)cccc1Cl)NCc1nc(-c2ccccc2)no1 ZINC000223648633 565908585 /nfs/dbraw/zinc/90/85/85/565908585.db2.gz YRVKKEJAFXSPFE-UHFFFAOYSA-N 0 1 381.816 3.149 40 0 GGABMN CCCC[C@H](CC)CNS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 ZINC000225121229 565914110 /nfs/dbraw/zinc/91/41/10/565914110.db2.gz FDJHQZQIEIMXCC-NSHDSACASA-N 0 1 376.548 3.017 40 0 GGABMN COc1ccc(NS(=O)(=O)c2cc3c(C)cc(=O)[nH]c3cc2Cl)cc1 ZINC000227163522 565921564 /nfs/dbraw/zinc/92/15/64/565921564.db2.gz GMKVPBTXWSSRMT-UHFFFAOYSA-N 0 1 378.837 3.299 40 0 GGABMN O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)[nH]1)Nc1nccs1 ZINC000253570993 566119361 /nfs/dbraw/zinc/11/93/61/566119361.db2.gz OJGJJPJSLFOHMF-UHFFFAOYSA-N 0 1 375.523 3.460 40 0 GGABMN CN(C)[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cccc(F)c1 ZINC000048251779 570227020 /nfs/dbraw/zinc/22/70/20/570227020.db2.gz UECINTBBEDRTDD-AEFFLSMTSA-N 0 1 393.503 3.192 40 0 GGABMN COc1cccc([C@H](CNC(=O)c2cc3c(c(Cl)c2)OCO3)N(C)C)c1 ZINC000053271283 570252442 /nfs/dbraw/zinc/25/24/42/570252442.db2.gz UPFWMNRFNWBEJG-INIZCTEOSA-N 0 1 376.840 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GGABMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)N[C@H]2C[C@H](c3ccccc3Cl)C2)CC1 ZINC000263371426 1434004187 /nfs/dbraw/zinc/00/41/87/1434004187.db2.gz NBLMXXOHRDZLCF-JYJNAYRXSA-N 0 1 393.915 3.167 40 0 GGABMN Cc1cc(C)n([C@@H](C(=O)Nc2ccccc2CN2CCN(C)CC2)C(C)C)n1 ZINC000019572667 210267305 /nfs/dbraw/zinc/26/73/05/210267305.db2.gz CDFVDBOLTWRFLY-OAQYLSRUSA-N 0 1 383.540 3.083 40 0 GGABMN Cc1cc(C(F)(F)F)c2c(n1)onc2C1CCN(C(=O)c2ccn[nH]2)CC1 ZINC000019569087 210266736 /nfs/dbraw/zinc/26/67/36/210266736.db2.gz VRZKZUNXXVZJLW-UHFFFAOYSA-N 0 1 379.342 3.293 40 0 GGABMN Cc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC000019568799 210266288 /nfs/dbraw/zinc/26/62/88/210266288.db2.gz UGYBHZBPLLMQQQ-SNVBAGLBSA-N 0 1 379.342 3.293 40 0 GGABMN Cc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC000019568802 210266165 /nfs/dbraw/zinc/26/61/65/210266165.db2.gz UGYBHZBPLLMQQQ-JTQLQIEISA-N 0 1 379.342 3.293 40 0 GGABMN Cc1nc2sccn2c1CN1C[C@@H](c2ccccn2)[C@]2(C1)CCCCC(=O)N2 ZINC000019555097 210261665 /nfs/dbraw/zinc/26/16/65/210261665.db2.gz UZWNBNSCICEQLZ-HRAATJIYSA-N 0 1 395.532 3.128 40 0 GGABMN CCOC(=O)c1cc(Cl)cnc1C1CCN(C(=O)c2[nH]ncc2Cl)CC1 ZINC000019530734 210258403 /nfs/dbraw/zinc/25/84/03/210258403.db2.gz DESMQXUSCRVXKV-UHFFFAOYSA-N 0 1 397.262 3.308 40 0 GGABMN CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@H+](C(C)C)CC3 ZINC000019499891 210254789 /nfs/dbraw/zinc/25/47/89/210254789.db2.gz RBJHZSBWJHLSHB-KXBFYZLASA-N 0 1 399.539 3.301 40 0 GGABMN CC[C@H](C)N1CCN(Cc2nc(-c3ccc(-c4ccnc(C)n4)cc3)no2)CC1 ZINC000019499952 210254153 /nfs/dbraw/zinc/25/41/53/210254153.db2.gz QHHASVVNZITOMQ-INIZCTEOSA-N 0 1 392.507 3.418 40 0 GGABMN CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)c3ccn[nH]3)cc2N1 ZINC000019520741 210254170 /nfs/dbraw/zinc/25/41/70/210254170.db2.gz SNRRILWXZOFDTJ-DDTOSNHZSA-N 0 1 382.390 3.281 40 0 GGABMN CC[C@H](Oc1ccccc1F)C(=O)N1CCc2nc([C@@H]3CCCCN3)ncc2C1 ZINC000019499431 210253046 /nfs/dbraw/zinc/25/30/46/210253046.db2.gz QXFYMNZUBAEAAE-OALUTQOASA-N 0 1 398.482 3.173 40 0 GGABMN CCC(=O)N1CCCc2cc([C@@H](O)CN3CCN(c4ccccc4)CC3)ccc21 ZINC000019498895 210252881 /nfs/dbraw/zinc/25/28/81/210252881.db2.gz FWBXKYFMDHRNOZ-QHCPKHFHSA-N 0 1 393.531 3.231 40 0 GGABMN C[C@H]1CCCN(c2ncc(CN3CCC(COc4ccccn4)CC3)cn2)C1 ZINC000019496650 210252151 /nfs/dbraw/zinc/25/21/51/210252151.db2.gz BIJIKSACPBSLMG-SFHVURJKSA-N 0 1 381.524 3.399 40 0 GGABMN Cc1ccc(S(=O)(=O)Nc2ncc(C(=O)Nc3cccc(C)c3)cn2)cc1 ZINC000408529426 231051159 /nfs/dbraw/zinc/05/11/59/231051159.db2.gz HGBJAGHEHKHQNF-UHFFFAOYSA-N 0 1 382.445 3.147 40 0 GGABMN O=C(NCc1ccncc1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 ZINC000408881119 231124661 /nfs/dbraw/zinc/12/46/61/231124661.db2.gz JNQPDJRPODZIJV-UHFFFAOYSA-N 0 1 386.499 3.334 40 0 GGABMN O=c1[n-]c(-c2ccccn2)nc2c1C[N@H+](Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000019373960 210245923 /nfs/dbraw/zinc/24/59/23/210245923.db2.gz VXBZAXZXZNJMEC-UHFFFAOYSA-N 0 1 384.443 3.193 40 0 GGABMN O=c1[n-]c(-c2ccccn2)nc2c1C[N@@H+](Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000019373960 210245925 /nfs/dbraw/zinc/24/59/25/210245925.db2.gz VXBZAXZXZNJMEC-UHFFFAOYSA-N 0 1 384.443 3.193 40 0 GGABMN CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CCCN1CCN(Cc3ccccc3)CC1)C2=O ZINC000019367154 210244471 /nfs/dbraw/zinc/24/44/71/210244471.db2.gz WXTCIMBFHFATLS-YKSBVNFPSA-N 0 1 397.563 3.006 40 0 GGABMN O=C(Nc1ccc2nc[nH]c2c1)c1cc([C@H]2CCCN(C(=O)C3CCC3)C2)no1 ZINC000019346200 210243102 /nfs/dbraw/zinc/24/31/02/210243102.db2.gz SJUVYWOGTHBHBO-AWEZNQCLSA-N 0 1 393.447 3.309 40 0 GGABMN Fc1ccc(Oc2nc(N3CCCC3)nc3c2CN(C[C@@H]2CCOC2)CC3)cc1 ZINC000019336047 210241799 /nfs/dbraw/zinc/24/17/99/210241799.db2.gz PNMIREYQFOMUKG-INIZCTEOSA-N 0 1 398.482 3.403 40 0 GGABMN O=c1cc(-c2cccnc2)nc(C2CCN(Cc3ccc(F)c(F)c3)CC2)[nH]1 ZINC000019340353 210241067 /nfs/dbraw/zinc/24/10/67/210241067.db2.gz JSWAUQCNQCILBA-UHFFFAOYSA-N 0 1 382.414 3.490 40 0 GGABMN O=c1cc(-c2ccncc2)nc([C@@H]2CCCN(Cc3ccc(F)c(F)c3)C2)[nH]1 ZINC000019292922 210239054 /nfs/dbraw/zinc/23/90/54/210239054.db2.gz PBXVERVUCWMLOF-MRXNPFEDSA-N 0 1 382.414 3.490 40 0 GGABMN CN(C)Cc1cc(-c2ccc(CNC(=O)Cc3ccccc3F)cc2)nn1C ZINC000019288877 210237715 /nfs/dbraw/zinc/23/77/15/210237715.db2.gz CBFDJPCGUINZOC-UHFFFAOYSA-N 0 1 380.467 3.147 40 0 GGABMN Cc1ccccc1[C@@H]1CN(CC(=O)N2CCC(C)CC2)C[C@H]1c1csnn1 ZINC000019237420 210236006 /nfs/dbraw/zinc/23/60/06/210236006.db2.gz FIWZNUWOBFCUNB-RBUKOAKNSA-N 0 1 384.549 3.288 40 0 GGABMN Cc1nc(C)n([C@@H](C)CNC(=O)C2CCN(Cc3ccccc3Cl)CC2)n1 ZINC000019285677 210235094 /nfs/dbraw/zinc/23/50/94/210235094.db2.gz RWVGGHYWVKJKAK-AWEZNQCLSA-N 0 1 389.931 3.138 40 0 GGABMN Cc1ccc([C@@H]2CN(CC(=O)N3CCCC[C@@H]3C)C[C@H]2c2csnn2)cc1 ZINC000019211984 210230612 /nfs/dbraw/zinc/23/06/12/210230612.db2.gz IKDAAAQZAONJAF-YTQUADARSA-N 0 1 384.549 3.431 40 0 GGABMN Cc1ccc2nc([C@@H]3CCCCN3C(=O)c3cccc(-n4cnnn4)c3)[nH]c2c1 ZINC000019221498 210230401 /nfs/dbraw/zinc/23/04/01/210230401.db2.gz DHNAAKMJNRNTFK-IBGZPJMESA-N 0 1 387.447 3.214 40 0 GGABMN COc1cccc(CN2CCN(C(=O)c3nc4ccc(C)cc4[nH]3)[C@H](C)C2)c1 ZINC000019219664 210230451 /nfs/dbraw/zinc/23/04/51/210230451.db2.gz WNGDTVJRSVSUJK-MRXNPFEDSA-N 0 1 378.476 3.226 40 0 GGABMN COc1ccc(F)c(CN2CCC[C@H](c3n[nH]c(=O)cc3-c3cc(C)no3)C2)c1 ZINC000019121174 210227965 /nfs/dbraw/zinc/22/79/65/210227965.db2.gz FFMYRZWCSTXJPU-AWEZNQCLSA-N 0 1 398.438 3.261 40 0 GGABMN Cc1cc2nc([C@@H]3CCCN(Cc4cc5c(cc4Cl)OCO5)C3)cc(N)n2n1 ZINC000019129219 210227630 /nfs/dbraw/zinc/22/76/30/210227630.db2.gz VCSGCMZJYIFXQY-CYBMUJFWSA-N 0 1 399.882 3.382 40 0 GGABMN Cc1ccc([C@@H](C)C(=O)N2CCC(c3ncc4c(n3)CC[N@H+](C)C4)CC2)cc1 ZINC000019135845 210227052 /nfs/dbraw/zinc/22/70/52/210227052.db2.gz FIBBJIWLWLOSQR-QGZVFWFLSA-N 0 1 378.520 3.283 40 0 GGABMN CN(C)Cc1cc(-c2ccc(CNC(=O)c3cc(C(C)(C)C)n[nH]3)cc2)nn1C ZINC000019083731 210225302 /nfs/dbraw/zinc/22/53/02/210225302.db2.gz HWQWDRRXYMTUAJ-UHFFFAOYSA-N 0 1 394.523 3.099 40 0 GGABMN O=C(C1CCC1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019014796 210222083 /nfs/dbraw/zinc/22/20/83/210222083.db2.gz PVEWIGLFAIFTFU-FQEVSTJZSA-N 0 1 398.551 3.172 40 0 GGABMN O=C(C1CCC1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019014796 210222096 /nfs/dbraw/zinc/22/20/96/210222096.db2.gz PVEWIGLFAIFTFU-FQEVSTJZSA-N 0 1 398.551 3.172 40 0 GGABMN O=C(C1CC1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCCC1)C2 ZINC000019014860 210222055 /nfs/dbraw/zinc/22/20/55/210222055.db2.gz HUPWNLLGTWCWLX-IBGZPJMESA-N 0 1 384.524 3.337 40 0 GGABMN O=C(C1CCCC1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)C1 ZINC000019014889 210221932 /nfs/dbraw/zinc/22/19/32/210221932.db2.gz MSRJDYKFEMUDHX-KRWDZBQOSA-N 0 1 398.551 3.379 40 0 GGABMN COC(=O)C1C(CN2C[C@H](C)C[C@@H](C)C2)=NC(=O)N[C@@H]1c1ccc(C)cc1C ZINC000017704100 210210475 /nfs/dbraw/zinc/21/04/75/210210475.db2.gz ONLUHYGSYJISHX-STXHMFSFSA-N 0 1 385.508 3.062 40 0 GGABMN COc1cn(CC(=O)Nc2ccccc2C)c(CN2CCC(C)CC2)cc1=O ZINC000017135986 210206679 /nfs/dbraw/zinc/20/66/79/210206679.db2.gz XBXPKGKBWTUSLM-UHFFFAOYSA-N 0 1 383.492 3.036 40 0 GGABMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O ZINC000015243220 210153489 /nfs/dbraw/zinc/15/34/89/210153489.db2.gz NNLUTOJUUODXGK-UHFFFAOYSA-N 0 1 394.880 3.449 40 0 GGABMN CCOc1cc(/C=C2\NC(=O)NC2=O)cc(Br)c1O[C@H](C)CC ZINC000015012872 210142748 /nfs/dbraw/zinc/14/27/48/210142748.db2.gz NLPPXAWAXMCPPW-JBBGTMGVSA-N 0 1 383.242 3.205 40 0 GGABMN O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc2c(c1)NC(=O)CCS2 ZINC000014200530 210110183 /nfs/dbraw/zinc/11/01/83/210110183.db2.gz UNKUAAPEUSLDJB-MRXNPFEDSA-N 0 1 385.489 3.281 40 0 GGABMN COc1ccc(CN2CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)CC2)cc1F ZINC000013366553 210059747 /nfs/dbraw/zinc/05/97/47/210059747.db2.gz NQWMPJDOEHXCJA-UHFFFAOYSA-N 0 1 394.450 3.182 40 0 GGABMN Cc1nc(-c2ccco2)cc([C@H]2C[N@H+]3CC[C@H]2C[C@@H]3CNC(=O)C2CCC2)n1 ZINC000015672578 291129172 /nfs/dbraw/zinc/12/91/72/291129172.db2.gz QVICYOSBWJQPNM-KSZLIROESA-N 0 1 380.492 3.139 40 0 biogenic,in-vitro GGABMN Cc1nc(-c2ccco2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)C2CCC2)n1 ZINC000015672578 291129176 /nfs/dbraw/zinc/12/91/76/291129176.db2.gz QVICYOSBWJQPNM-KSZLIROESA-N 0 1 380.492 3.139 40 0 biogenic,in-vitro GGABMN O=C(C[C@H]1C(=O)Nc2ccccc2S1(=O)=O)Nc1cc(Cl)ccc1Cl ZINC000001623963 209333514 /nfs/dbraw/zinc/33/35/14/209333514.db2.gz LNYBVFLQHDQIAR-AWEZNQCLSA-N 0 1 399.255 3.117 40 0 GGABMN Cc1cccc(C(C)C)c1NC(=O)C[C@H]1C(=O)Nc2ccccc2S1(=O)=O ZINC000001623976 209334372 /nfs/dbraw/zinc/33/43/72/209334372.db2.gz WSAOLIOILJZLJC-KRWDZBQOSA-N 0 1 386.473 3.242 40 0 GGABMN COc1ccc(NC(=O)c2ccc(CSc3nc(N)cc(N)n3)cc2)cc1 ZINC000001083524 209298670 /nfs/dbraw/zinc/29/86/70/209298670.db2.gz AFMANPKYJASLDH-UHFFFAOYSA-N 0 1 381.461 3.194 40 0 GGABMN CCS(=O)(=O)c1ccc(O)c(NC(=O)COc2ccc(Cl)c(C)c2)c1 ZINC000000846821 209272077 /nfs/dbraw/zinc/27/20/77/209272077.db2.gz HJANYDUKSJIONM-UHFFFAOYSA-N 0 1 383.853 3.165 40 0 GGABMN CCC(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 ZINC000005917639 212066378 /nfs/dbraw/zinc/06/63/78/212066378.db2.gz HRXZJRRTWOGZNH-UHFFFAOYSA-N 0 1 376.482 3.269 40 0 GGABMN Fc1ccccc1CN1CCC[C@@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 ZINC000306145163 212057869 /nfs/dbraw/zinc/05/78/69/212057869.db2.gz ZZVGRIGYJVIAJR-GOSISDBHSA-N 0 1 395.482 3.085 40 0 GGABMN CCCC(=O)N1CC[C@]2(c3ccccc3)CC[C@H](N3CCN(C(C)=O)CC3)C[C@H]12 ZINC000306141877 212055718 /nfs/dbraw/zinc/05/57/18/212055718.db2.gz WIYDAJJBVCAATR-FIXSFTCYSA-N 0 1 397.563 3.042 40 0 GGABMN CN1CCN(Cc2cccs2)C[C@H]1c1cn2c(cccc2N2CCCC2)n1 ZINC000306142635 212055248 /nfs/dbraw/zinc/05/52/48/212055248.db2.gz XFDUMRYNWSCDMD-IBGZPJMESA-N 0 1 381.549 3.485 40 0 GGABMN CN1CC2(CCN(Cc3ccc(F)cc3)CC2)c2nn(CC3CC3)cc2C1=O ZINC000306141298 212054942 /nfs/dbraw/zinc/05/49/42/212054942.db2.gz VQZQYGIFGMVNFX-UHFFFAOYSA-N 0 1 382.483 3.052 40 0 GGABMN Cc1nc(CN2C(=O)c3cccn3[C@@H]3CN(Cc4cccs4)C[C@@H]32)cs1 ZINC000306142846 212054329 /nfs/dbraw/zinc/05/43/29/212054329.db2.gz XMJMAUBFBAHXFZ-MSOLQXFVSA-N 0 1 384.530 3.396 40 0 GGABMN COCC(=O)N[C@H]1CCCC[C@]12CN(Cc1csc3ccccc13)CCO2 ZINC000306138864 212052217 /nfs/dbraw/zinc/05/22/17/212052217.db2.gz SJPBPYSGFMLMAZ-FPOVZHCZSA-N 0 1 388.533 3.178 40 0 GGABMN Cc1ncsc1CN1C[C@@H]2[C@H](C1)n1cccc1C(=O)N2Cc1ccccc1 ZINC000306136461 212051490 /nfs/dbraw/zinc/05/14/90/212051490.db2.gz PUDMIVRTZOFHPX-RBUKOAKNSA-N 0 1 378.501 3.335 40 0 GGABMN CCn1cc(CN2CCC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)cn1 ZINC000306137173 212050985 /nfs/dbraw/zinc/05/09/85/212050985.db2.gz QNMGGIKEIUWDHX-HXUWFJFHSA-N 0 1 387.491 3.387 40 0 GGABMN Cc1ccc(CN2C[C@H]3[C@H](C2)N(Cc2ccccn2)C(=O)c2cccn23)s1 ZINC000306136725 212050999 /nfs/dbraw/zinc/05/09/99/212050999.db2.gz QBBAXJIIJFLMOK-PMACEKPBSA-N 0 1 378.501 3.335 40 0 GGABMN CC(C)CN1c2ccccc2C2(CCN(Cc3ccncc3)CC2)S1(=O)=O ZINC000306133778 212050899 /nfs/dbraw/zinc/05/08/99/212050899.db2.gz MVXLXWOSUCCGOS-UHFFFAOYSA-N 0 1 385.533 3.379 40 0 GGABMN COc1ncccc1CN1CC[C@]2(C1)Cn1c(-c3ccc(F)cc3)cnc1CO2 ZINC000306136543 212050622 /nfs/dbraw/zinc/05/06/22/212050622.db2.gz PWGYPTCZCMFOTB-QFIPXVFZSA-N 0 1 394.450 3.268 40 0 GGABMN Cn1cc(CN2Cc3ccccc3[C@@H](c3nccn3Cc3cccnc3)C2)cn1 ZINC000306135398 212050686 /nfs/dbraw/zinc/05/06/86/212050686.db2.gz OPUGHNIIYMOGIL-QFIPXVFZSA-N 0 1 384.487 3.208 40 0 GGABMN CN1CC[C@@H](COc2ccccn2)CC12CN(C(=O)c1cc3ccccc3[nH]1)C2 ZINC000306131933 212050076 /nfs/dbraw/zinc/05/00/76/212050076.db2.gz KTIMYCCIIMKXOQ-QGZVFWFLSA-N 0 1 390.487 3.178 40 0 GGABMN Cc1ccc(CN2C[C@@H]3[C@H](C2)n2cccc2C(=O)N3Cc2cccnc2)s1 ZINC000306129248 212046825 /nfs/dbraw/zinc/04/68/25/212046825.db2.gz HYJCLHZMRQJLEY-VQTJNVASSA-N 0 1 378.501 3.335 40 0 GGABMN CC(C)N1CCC[C@@]2(CN(Cc3nccs3)C[C@@H]2c2nccs2)C1=O ZINC000306132069 212049495 /nfs/dbraw/zinc/04/94/95/212049495.db2.gz KXFFESTZQXEGAG-KDOFPFPSSA-N 0 1 376.551 3.216 40 0 GGABMN COc1cccc(-c2cnc3n2C[C@@]2(CCN(Cc4cccnc4)C2)OC3)c1 ZINC000306126062 212044071 /nfs/dbraw/zinc/04/40/71/212044071.db2.gz DLAAIMIWTPDRNH-QFIPXVFZSA-N 0 1 376.460 3.129 40 0 GGABMN 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212021917 /nfs/dbraw/zinc/02/19/17/212021917.db2.gz UUEBMYIVXLZDCO-MRXNPFEDSA-N 0 1 379.464 3.015 40 0 GGABMN COc1ccc(CN2CCC(N3CCc4ccccc4C3=O)CC2)cc1OC ZINC000257291201 212018743 /nfs/dbraw/zinc/01/87/43/212018743.db2.gz QGCBQIGLTCCJQH-UHFFFAOYSA-N 0 1 380.488 3.367 40 0 GGABMN COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)CN3CCCC3)o2)c1 ZINC000257284395 212016542 /nfs/dbraw/zinc/01/65/42/212016542.db2.gz PCMOXHWWYQIOTF-HXUWFJFHSA-N 0 1 383.492 3.423 40 0 GGABMN COc1cccc(Cc2cnc([C@@H]3CCCN(C(=O)CN4CCCCC4)C3)o2)c1 ZINC000257276802 212016568 /nfs/dbraw/zinc/01/65/68/212016568.db2.gz NVDQLKPAEUFPIX-LJQANCHMSA-N 0 1 397.519 3.466 40 0 GGABMN CCc1ncc(CN2CCC(Cc3cc(Nc4cc(C)[nH]n4)ncn3)CC2)cn1 ZINC000257275608 212016335 /nfs/dbraw/zinc/01/63/35/212016335.db2.gz NQBVCFYLQHWVEG-UHFFFAOYSA-N 0 1 392.511 3.059 40 0 GGABMN O=C(CN1CCCC1)N1CCC[C@H]1c1ccnc2ncc(-c3ccc(F)cc3)n21 ZINC000257246471 212010419 /nfs/dbraw/zinc/01/04/19/212010419.db2.gz IUGAYRTZLSCTOA-SFHVURJKSA-N 0 1 393.466 3.295 40 0 GGABMN 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COC(=O)c1ccc(C[N@@H+]2CCc3c(nc4cc(C(C)(C)C)[n-]n4c3=O)C2)cc1 ZINC000012185425 221164428 /nfs/dbraw/zinc/16/44/28/221164428.db2.gz IQMADYGONDXUQT-UHFFFAOYSA-N 0 1 394.475 3.077 40 0 GGABMN COC(=O)c1ccc(C[N@H+]2CCc3c(nc4cc(C(C)(C)C)[n-]n4c3=O)C2)cc1 ZINC000012185425 221164430 /nfs/dbraw/zinc/16/44/30/221164430.db2.gz IQMADYGONDXUQT-UHFFFAOYSA-N 0 1 394.475 3.077 40 0 GGABMN O=c1c2c(O)cc(COc3ccccc3)[nH]c-2nn1-c1nc2ccccc2s1 ZINC000014607067 221313630 /nfs/dbraw/zinc/31/36/30/221313630.db2.gz FIWOMLINDDFBSD-UHFFFAOYSA-N 0 1 390.424 3.196 40 0 GGABMN C[C@@H](CCc1ccc(O)cc1)NC(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000040104067 132396033 /nfs/dbraw/zinc/39/60/33/132396033.db2.gz ZQABDLPSMIURHL-KRWDZBQOSA-N 0 1 382.508 3.287 40 0 GGABMN COc1ccc(CN2CC=C(c3nc(C)c(C)c(N4CCOCC4)n3)CC2)cc1 ZINC000072339544 136168604 /nfs/dbraw/zinc/16/86/04/136168604.db2.gz BZULHSXTGRLYQO-UHFFFAOYSA-N 0 1 394.519 3.228 40 0 GGABMN CC1CCN(c2nc3c(c(=O)[n-]2)C[N@H+](Cc2c[nH]c4ccccc24)CC3)CC1 ZINC000072347467 136168881 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/nfs/dbraw/zinc/03/48/48/560034848.db2.gz DXSPBHJLQIPOKG-KBPBESRZSA-N 0 1 392.450 3.491 40 0 biogenic,in-vitro GGABMN O=C([O-])C[C@@H]1CC[N@@H+](C2CCC(F)(F)CC2)C[C@@H]1Cc1nc2cc[nH]cc-2n1 ZINC000514288426 560034850 /nfs/dbraw/zinc/03/48/50/560034850.db2.gz DXSPBHJLQIPOKG-KBPBESRZSA-N 0 1 392.450 3.491 40 0 biogenic,in-vitro GGABMN O=C([O-])C[C@@H]1CC[N@H+](C2CCC(F)(F)CC2)C[C@@H]1Cc1nc2cc[nH]cc-2n1 ZINC000514288426 560034851 /nfs/dbraw/zinc/03/48/51/560034851.db2.gz DXSPBHJLQIPOKG-KBPBESRZSA-N 0 1 392.450 3.491 40 0 biogenic,in-vitro GGABMN COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1NC(C)=O ZINC000005126406 564212750 /nfs/dbraw/zinc/21/27/50/564212750.db2.gz OMFIVPOKCNNJJH-UHFFFAOYSA-N 0 1 384.841 3.116 40 0 GGABMN O=C(CC1C(=O)Nc2ccccc2[S@@]1=O)Nc1cc(Cl)ccc1Cl ZINC000005721946 564218549 /nfs/dbraw/zinc/21/85/49/564218549.db2.gz JOYSVACVDYUTMT-LFPIHBKWSA-N 0 1 383.256 3.451 40 0 GGABMN O=C(CC1C(=O)Nc2ccccc2[S@]1=O)Nc1cc(Cl)ccc1Cl ZINC000005721941 564218598 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CCc1cccc(C)c1NS(=O)(=O)c1cc2oc(=O)n(C)c2cc1Cl ZINC000223342853 565908536 /nfs/dbraw/zinc/90/85/36/565908536.db2.gz BIPPCUPCTYDSRZ-UHFFFAOYSA-N 0 1 380.853 3.457 40 0 GGABMN CCn1c2cc(Cl)c(S(=O)(=O)Nc3ccc(OC)cc3)cc2oc1=O ZINC000223364312 565908983 /nfs/dbraw/zinc/90/89/83/565908983.db2.gz ABORJUBOPKGKIV-UHFFFAOYSA-N 0 1 382.825 3.077 40 0 GGABMN Cc1nc(N(C)C)nc(C)c1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000224295561 565909945 /nfs/dbraw/zinc/90/99/45/565909945.db2.gz ZDQXGRBZONEIEE-UHFFFAOYSA-N 0 1 375.281 3.267 40 0 GGABMN CCn1c2ccc(NS(=O)(=O)c3cc(F)ccc3OC)cc2sc1=O ZINC000225122799 565913780 /nfs/dbraw/zinc/91/37/80/565913780.db2.gz QTYOQMORMKMTQY-UHFFFAOYSA-N 0 1 382.438 3.031 40 0 GGABMN CCCC[C@@H](CC)CNS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 ZINC000225121186 565913896 /nfs/dbraw/zinc/91/38/96/565913896.db2.gz FDJHQZQIEIMXCC-LLVKDONJSA-N 0 1 376.548 3.017 40 0 GGABMN CC(C)C(=O)Nc1nnc(S(=O)(=O)Nc2cccc(Cl)c2Cl)s1 ZINC000225208185 565914063 /nfs/dbraw/zinc/91/40/63/565914063.db2.gz UFQHFUAKCAUXSS-UHFFFAOYSA-N 0 1 395.293 3.240 40 0 GGABMN CCn1c2ccc(S(=O)(=O)Nc3cc(C)ccc3OC)cc2sc1=O ZINC000225688665 565916068 /nfs/dbraw/zinc/91/60/68/565916068.db2.gz QEGUGRKWTAHNLX-UHFFFAOYSA-N 0 1 378.475 3.201 40 0 GGABMN N[C@@H]1[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242648574 565984262 /nfs/dbraw/zinc/98/42/62/565984262.db2.gz RBFCBRDITMBVKO-RBSFLKMASA-N 0 1 386.698 3.370 40 0 GGABMN Cc1ccc(O[C@H]2CN(Cc3ccc(OCC(C)(C)O)cc3)C[C@@H]2O)cc1C ZINC000585273397 570241471 /nfs/dbraw/zinc/24/14/71/570241471.db2.gz ULOXBLZMDMOVDS-VXKWHMMOSA-N 0 1 385.504 3.077 40 0 GGABMN FC(F)(F)c1nc(-c2ccc([C@@H]3CCCN(Cc4cncnc4)C3)nc2)no1 ZINC000585289462 570257278 /nfs/dbraw/zinc/25/72/78/570257278.db2.gz HBKXOPYJOHTDNI-CQSZACIVSA-N 0 1 390.369 3.320 40 0 GGABMN FC(F)(F)c1nc(-c2cccc([C@@H]3CCCN(Cc4cncnc4)C3)n2)no1 ZINC000585289888 570257810 /nfs/dbraw/zinc/25/78/10/570257810.db2.gz MKCCEOCWARFWHR-CYBMUJFWSA-N 0 1 390.369 3.320 40 0 GGABMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)C=C(C)C)ccc2OC)cc1 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COc1ccc(OC)c(C[N@H+]2CCCC[C@@H]2c2cc3nc(C)cc(=O)n3[n-]2)c1 ZINC000012337767 221184045 /nfs/dbraw/zinc/18/40/45/221184045.db2.gz KVJMIJLJAHTYOP-GOSISDBHSA-N 0 1 382.464 3.488 40 0 GGABMN C[C@@H](O)CN(Cc1ccc2c(c1)OCO2)Cc1cccc(Oc2ncccn2)c1 ZINC000012185839 221163507 /nfs/dbraw/zinc/16/35/07/221163507.db2.gz UBMWRXGGIMOAGW-MRXNPFEDSA-N 0 1 393.443 3.381 40 0 GGABMN O=c1ccc(-c2cccs2)nn1CC1(O)CCN(Cc2ccccc2F)CC1 ZINC000012186599 221163687 /nfs/dbraw/zinc/16/36/87/221163687.db2.gz AHVUXHOYRWEOFP-UHFFFAOYSA-N 0 1 399.491 3.138 40 0 GGABMN Cc1c(CN(Cc2ccc3c(c2)OCO3)C[C@@H](C)O)cnn1Cc1ccccc1 ZINC000012185756 221164526 /nfs/dbraw/zinc/16/45/26/221164526.db2.gz YESGWKYSGFAZLI-QGZVFWFLSA-N 0 1 393.487 3.352 40 0 GGABMN CC(=O)NC1(c2ccc(F)cc2)CCN(C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000012188375 221165836 /nfs/dbraw/zinc/16/58/36/221165836.db2.gz MPICASRJWZZAFL-FQEVSTJZSA-N 0 1 392.421 3.265 40 0 GGABMN CC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 ZINC000012521106 221201214 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Cc1oc(NC(=O)CSc2nc3ccc(C)cc3[nH]2)c2c1c(C)n[nH]c2=O ZINC000018198494 221390615 /nfs/dbraw/zinc/39/06/15/221390615.db2.gz MIHHHGRRLZVGGR-UHFFFAOYSA-N 0 1 383.433 3.048 40 0 GGABMN CS(=O)(=O)Nc1ccccc1C(=O)OCc1c(F)c(F)c(F)c(F)c1F ZINC000018263431 221390987 /nfs/dbraw/zinc/39/09/87/221390987.db2.gz LRGOQARIQRBSEI-UHFFFAOYSA-N 0 1 395.305 3.111 40 0 GGABMN Cc1cc(-c2cncnc2C2CCN(C(=O)c3cc(C(C)C)[nH]n3)CC2)on1 ZINC000019124211 221397661 /nfs/dbraw/zinc/39/76/61/221397661.db2.gz WZONRWVBAFRLAC-UHFFFAOYSA-N 0 1 380.452 3.306 40 0 GGABMN Cc1cc(-c2cc(=O)[nH]nc2[C@@H]2CCCN(Cc3ccc(F)c(F)c3)C2)on1 ZINC000019121177 221397673 /nfs/dbraw/zinc/39/76/73/221397673.db2.gz XVVWDIYOYREBBB-CQSZACIVSA-N 0 1 386.402 3.391 40 0 GGABMN Cc1cc(-c2cc(=O)[nH]nc2[C@H]2CCCN(Cc3ccc(F)c(F)c3)C2)on1 ZINC000019121180 221398276 /nfs/dbraw/zinc/39/82/76/221398276.db2.gz XVVWDIYOYREBBB-AWEZNQCLSA-N 0 1 386.402 3.391 40 0 GGABMN CCN(CC)C(=O)CN1CCC([C@H]2CC=CCN(Cc3ccccc3)C2=O)CC1 ZINC000019698360 221441873 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COc1ccc(S(=O)(=O)Nc2ccccc2OC(C)C)cc1NC(C)=O ZINC000055590393 222024862 /nfs/dbraw/zinc/02/48/62/222024862.db2.gz PGSXVORZQZJXNU-UHFFFAOYSA-N 0 1 378.450 3.242 40 0 GGABMN CCN1CCN(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000058149826 222041765 /nfs/dbraw/zinc/04/17/65/222041765.db2.gz FWPKJXXSVGGXOR-ZHACJKMWSA-N 0 1 387.487 3.112 40 0 GGABMN CC(C)Oc1ccccc1CC(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000060301917 222059489 /nfs/dbraw/zinc/05/94/89/222059489.db2.gz SZXHIGXFNPCDAN-UHFFFAOYSA-N 0 1 381.520 3.402 40 0 GGABMN C[C@@H](O)c1c(S(=O)(=O)c2ccc(Br)cc2)n[nH]c1C(F)(F)F ZINC000064220199 222070570 /nfs/dbraw/zinc/07/05/70/222070570.db2.gz UHFXEANHRJVVRR-ZCFIWIBFSA-N 0 1 399.188 3.077 40 0 GGABMN N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2ccccc2c1 ZINC000071788439 222198321 /nfs/dbraw/zinc/19/83/21/222198321.db2.gz MWOPITSMSFRRED-VXKWHMMOSA-N 0 1 387.483 3.339 40 0 GGABMN COc1ccccc1-c1cc(C(=O)N2C[C@H](C)N(Cc3ccco3)C[C@@H]2C)n[nH]1 ZINC000072324259 222227325 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CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000072344795 222233703 /nfs/dbraw/zinc/23/37/03/222233703.db2.gz XWJQSXRCVYVHEI-HXUWFJFHSA-N 0 1 389.503 3.457 40 0 GGABMN O=C(CN1CCC[C@H](c2cccc(-c3cccc(CO)c3)n2)C1)N1CCCC1 ZINC000072348775 222235245 /nfs/dbraw/zinc/23/52/45/222235245.db2.gz ORJNUFMQMFZPIS-FQEVSTJZSA-N 0 1 379.504 3.043 40 0 GGABMN COc1ccccc1Cc1cccc(C2CCN(CC(=O)N3CCCC3)CC2)n1 ZINC000072348787 222235254 /nfs/dbraw/zinc/23/52/54/222235254.db2.gz VWKGABREFXDLKZ-UHFFFAOYSA-N 0 1 393.531 3.483 40 0 GGABMN Cc1cc(C)nc(Nc2ccc([C@H]3CCCN(CC(=O)N4CCCC4)C3)nc2)n1 ZINC000072353269 222237411 /nfs/dbraw/zinc/23/74/11/222237411.db2.gz XVIQNKJRKWHNGU-SFHVURJKSA-N 0 1 394.523 3.034 40 0 GGABMN Cc1cc(C)nc(Nc2ccc([C@@H]3CCCN(CC(=O)N4CCCC4)C3)nc2)n1 ZINC000072353268 222238078 /nfs/dbraw/zinc/23/80/78/222238078.db2.gz XVIQNKJRKWHNGU-GOSISDBHSA-N 0 1 394.523 3.034 40 0 GGABMN NC(=O)c1cccc(-c2cnc(N)nc2[C@H]2CCCN2Cc2ccc(F)cc2)c1 ZINC000072354583 222238520 /nfs/dbraw/zinc/23/85/20/222238520.db2.gz HBSVZEDSYVPBPJ-LJQANCHMSA-N 0 1 391.450 3.301 40 0 GGABMN CN(C)C(=O)CN1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359617 222239398 /nfs/dbraw/zinc/23/93/98/222239398.db2.gz NRWSUFGHUCTDKU-HNNXBMFYSA-N 0 1 392.425 3.430 40 0 GGABMN Cc1cc(C)nc(Nc2cncc([C@@H]3CCCN(Cc4cccnc4)C3)n2)n1 ZINC000072360964 222240851 /nfs/dbraw/zinc/24/08/51/222240851.db2.gz VPSWUEXIVLOYHA-GOSISDBHSA-N 0 1 375.480 3.402 40 0 GGABMN Cc1cc(Nc2ncccc2C)nc([C@H]2CCCN(Cc3cnn(C)c3)C2)n1 ZINC000072360052 222241120 /nfs/dbraw/zinc/24/11/20/222241120.db2.gz XQWIIQFCFPTXJU-SFHVURJKSA-N 0 1 377.496 3.345 40 0 GGABMN NC(=O)c1ccc(Oc2nccnc2[C@H]2CCCN(Cc3ccccn3)C2)cc1 ZINC000072361891 222241202 /nfs/dbraw/zinc/24/12/02/222241202.db2.gz GTDFDIBVGBKHOG-KRWDZBQOSA-N 0 1 389.459 3.142 40 0 GGABMN COc1cccc(Oc2cc(C)nc(C3CCN(C(=O)c4ccn[nH]4)CC3)n2)c1 ZINC000072362574 222241401 /nfs/dbraw/zinc/24/14/01/222241401.db2.gz MYDMYHGVUBFHLA-UHFFFAOYSA-N 0 1 393.447 3.329 40 0 GGABMN O=C(Cc1ccccn1)N1CC[C@@H](c2cc(CCOc3cccc(F)c3)[nH]n2)C1 ZINC000072371338 222241798 /nfs/dbraw/zinc/24/17/98/222241798.db2.gz FLAPVKYEQMIWFP-MRXNPFEDSA-N 0 1 394.450 3.124 40 0 GGABMN Cn1nccc1CN1CCC([C@@H]2CC=CCN(CCc3ccccc3)C2=O)CC1 ZINC000072371071 222241825 /nfs/dbraw/zinc/24/18/25/222241825.db2.gz FNRQNBRMPDXAMI-QHCPKHFHSA-N 0 1 392.547 3.280 40 0 GGABMN CNc1nc([C@H]2CCCCN2CCc2ccccc2)nc2c1CN(C(C)=O)CC2 ZINC000072372191 222241845 /nfs/dbraw/zinc/24/18/45/222241845.db2.gz AKIYJRMPZOCTDT-OAQYLSRUSA-N 0 1 393.535 3.193 40 0 GGABMN Cc1n[nH]cc1C(=O)N1CC[C@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 ZINC000072371437 222241884 /nfs/dbraw/zinc/24/18/84/222241884.db2.gz UVGYUCHTNIPXNC-AWEZNQCLSA-N 0 1 399.882 3.346 40 0 GGABMN Cc1cccnc1Nc1cccc([C@@H]2CCCN(CC(=O)N3CCCC3)C2)n1 ZINC000072375943 222241896 /nfs/dbraw/zinc/24/18/96/222241896.db2.gz DUSGLHHAZFZPNV-GOSISDBHSA-N 0 1 379.508 3.330 40 0 GGABMN Cc1n[nH]cc1C(=O)N1CC[C@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 ZINC000072371439 222242300 /nfs/dbraw/zinc/24/23/00/222242300.db2.gz FVHGOUDPSWTTHN-AWEZNQCLSA-N 0 1 399.882 3.346 40 0 GGABMN CC(C)c1ccc(OCCc2cc([C@H]3CCN(CC(=O)N(C)C)C3)[nH]n2)cc1 ZINC000072371356 222242460 /nfs/dbraw/zinc/24/24/60/222242460.db2.gz HWKJZDBHBZJGGU-SFHVURJKSA-N 0 1 384.524 3.032 40 0 GGABMN CC(C)c1ccc(OCCc2cc([C@H]3CCN(CC(=O)N(C)C)C3)n[nH]2)cc1 ZINC000072371356 222242464 /nfs/dbraw/zinc/24/24/64/222242464.db2.gz HWKJZDBHBZJGGU-SFHVURJKSA-N 0 1 384.524 3.032 40 0 GGABMN COCC(=O)N1CC[C@@H](c2cc(CCOc3ccccc3C(F)(F)F)[nH]n2)C1 ZINC000072371294 222242989 /nfs/dbraw/zinc/24/29/89/222242989.db2.gz YVJYUNHCGJGKOK-CYBMUJFWSA-N 0 1 397.397 3.012 40 0 GGABMN Cn1cc(C(=O)N2CC[C@@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)cn1 ZINC000072371634 222243341 /nfs/dbraw/zinc/24/33/41/222243341.db2.gz CRLBFVYRSHWLNU-CQSZACIVSA-N 0 1 399.882 3.048 40 0 GGABMN CCc1nnc([N-]c2cccc(C3CC[NH+](Cc4cnn(C)c4)CC3)n2)s1 ZINC000072376164 222243953 /nfs/dbraw/zinc/24/39/53/222243953.db2.gz GESTTXUFXPUJOE-UHFFFAOYSA-N 0 1 383.525 3.352 40 0 GGABMN COc1ccc(C[N@H+]2CCC[C@@H](c3ccnc([N-]c4ncccn4)n3)C2)cc1 ZINC000072377439 222244022 /nfs/dbraw/zinc/24/40/22/222244022.db2.gz ISMFODLWWRPBGW-QGZVFWFLSA-N 0 1 376.464 3.398 40 0 GGABMN COc1ccc(OCCc2cc([C@@H]3CCN(C(=O)c4cccnc4)C3)n[nH]2)cc1 ZINC000072378147 222244134 /nfs/dbraw/zinc/24/41/34/222244134.db2.gz JEOCAHKCHLIOPS-QGZVFWFLSA-N 0 1 392.459 3.065 40 0 GGABMN COc1ccccc1OCCc1cc([C@@H]2CCN(C(=O)c3ccncc3)C2)n[nH]1 ZINC000072378159 222244407 /nfs/dbraw/zinc/24/44/07/222244407.db2.gz QTPYSLROOKCEPF-QGZVFWFLSA-N 0 1 392.459 3.065 40 0 GGABMN CNc1nc([C@H]2CCCCN2CCc2ccccc2)nc2c1CCN(C(C)=O)C2 ZINC000072376541 222244460 /nfs/dbraw/zinc/24/44/60/222244460.db2.gz RGJGJUOAMNUARI-OAQYLSRUSA-N 0 1 393.535 3.193 40 0 GGABMN Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCN(Cc4cccnc4)C3)n2)n1 ZINC000072382458 222244715 /nfs/dbraw/zinc/24/47/15/222244715.db2.gz SHRLIWJOTKVMGI-SFHVURJKSA-N 0 1 375.480 3.320 40 0 GGABMN O=C(c1cc([C@@H]2CCCCN2CCCc2ccccc2)[nH]n1)N1CCOCC1 ZINC000072380627 222244853 /nfs/dbraw/zinc/24/48/53/222244853.db2.gz WIKMIRUDKXZDNI-NRFANRHFSA-N 0 1 382.508 3.042 40 0 GGABMN CN(C)CC(=O)N1CCC[C@H]1c1nc(N(C)C)ncc1-c1cccc(Cl)c1 ZINC000072376634 222245415 /nfs/dbraw/zinc/24/54/15/222245415.db2.gz TWUDMEXOWBNFIJ-KRWDZBQOSA-N 0 1 387.915 3.088 40 0 GGABMN COc1ccccc1OCCc1cc([C@H]2CCN(C(=O)c3ccncc3)C2)n[nH]1 ZINC000072378160 222245774 /nfs/dbraw/zinc/24/57/74/222245774.db2.gz QTPYSLROOKCEPF-KRWDZBQOSA-N 0 1 392.459 3.065 40 0 GGABMN O=C(c1cccnc1)N1CC[C@H](c2cc(CCOc3cccc(F)c3)[nH]n2)C1 ZINC000072378140 222245813 /nfs/dbraw/zinc/24/58/13/222245813.db2.gz ISHWAFUBGTUCBO-INIZCTEOSA-N 0 1 380.423 3.195 40 0 GGABMN Cc1cnc(Nc2cc(C[C@@H]3CCCN(C(=O)c4ccn[nH]4)C3)nc(C)n2)s1 ZINC000072382891 222246115 /nfs/dbraw/zinc/24/61/15/222246115.db2.gz ZVTZSKJXDQYDBX-AWEZNQCLSA-N 0 1 397.508 3.112 40 0 GGABMN COc1ccc(Oc2cncc([C@H]3CCCN3C3CCN(C(C)=O)CC3)n2)cc1 ZINC000072384374 222247091 /nfs/dbraw/zinc/24/70/91/222247091.db2.gz KRTUEEVVLKREQN-OAQYLSRUSA-N 0 1 396.491 3.425 40 0 GGABMN CN(C)[C@@H](CNC(=O)C1(c2ccccc2F)CCOCC1)c1cccc(F)c1 ZINC000072391798 222249456 /nfs/dbraw/zinc/24/94/56/222249456.db2.gz XUDRONYUNVFIQT-FQEVSTJZSA-N 0 1 388.458 3.432 40 0 GGABMN CN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(Cc3ccc4ncccc4c3)C[C@@H]12 ZINC000072395847 222252053 /nfs/dbraw/zinc/25/20/53/222252053.db2.gz GEOODYVTGCHYHV-QPPBQGQZSA-N 0 1 385.467 3.394 40 0 GGABMN CN1CC2(CCN(Cc3ccsc3)CC2)COc2ccccc2S1(=O)=O ZINC000096037128 222373438 /nfs/dbraw/zinc/37/34/38/222373438.db2.gz JJGXJKQAMISNLA-UHFFFAOYSA-N 0 1 392.546 3.043 40 0 GGABMN CC(C)NC(=O)C[C@H]1CC2(CCN(Cc3cnn(C)c3)CC2)Oc2ccccc21 ZINC000096053314 222374669 /nfs/dbraw/zinc/37/46/69/222374669.db2.gz BGTDNZLFOLOXAI-IBGZPJMESA-N 0 1 396.535 3.236 40 0 GGABMN CN(C)C(=O)C[C@H]1CC2(CCN(Cc3ccncc3)CC2)Oc2ccccc21 ZINC000096053166 222375125 /nfs/dbraw/zinc/37/51/25/222375125.db2.gz QQWJBCQWNYNWEN-IBGZPJMESA-N 0 1 379.504 3.461 40 0 GGABMN O=S(=O)(c1ccccc1)N1C[C@H]2CN(Cc3ccc(Cl)cc3)C[C@@H]2C1 ZINC000096080848 222376548 /nfs/dbraw/zinc/37/65/48/222376548.db2.gz PCOSDWOQZRZWBI-IAGOWNOFSA-N 0 1 376.909 3.093 40 0 GGABMN F[C@@H]1CN(C2CCOCC2)C[C@@H]1OCc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000096112250 222381053 /nfs/dbraw/zinc/38/10/53/222381053.db2.gz CWUBXVXWVRJECF-CJNGLKHVSA-N 0 1 387.377 3.300 40 0 biogenic,in-vitro GGABMN O=C([O-])c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)cc1 ZINC000096111798 222381131 /nfs/dbraw/zinc/38/11/31/222381131.db2.gz QFZMJPBCWVPLSN-ICSRJNTNSA-N 0 1 392.455 3.163 40 0 biogenic,in-vitro GGABMN O=C([O-])c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)cc1 ZINC000096111798 222381134 /nfs/dbraw/zinc/38/11/34/222381134.db2.gz QFZMJPBCWVPLSN-ICSRJNTNSA-N 0 1 392.455 3.163 40 0 biogenic,in-vitro GGABMN Cn1c(CO[C@H]2C[N@H+](Cc3ccc(C(=O)[O-])cc3)C[C@H]2F)nc2ccccc21 ZINC000096112192 222381518 /nfs/dbraw/zinc/38/15/18/222381518.db2.gz SGABQIUQVZYBMT-APWZRJJASA-N 0 1 383.423 3.011 40 0 biogenic,in-vitro GGABMN Cn1c(CO[C@H]2C[N@@H+](Cc3ccc(C(=O)[O-])cc3)C[C@H]2F)nc2ccccc21 ZINC000096112192 222381520 /nfs/dbraw/zinc/38/15/20/222381520.db2.gz SGABQIUQVZYBMT-APWZRJJASA-N 0 1 383.423 3.011 40 0 biogenic,in-vitro GGABMN COc1ccc2[nH]c(CO[C@H]3C[N@H+](Cc4ccc(C(=O)[O-])cc4)C[C@H]3F)nc2c1 ZINC000096112262 222381697 /nfs/dbraw/zinc/38/16/97/222381697.db2.gz DOFFAGNHOGHQAJ-APWZRJJASA-N 0 1 399.422 3.009 40 0 biogenic,in-vitro GGABMN COc1ccc2[nH]c(CO[C@H]3C[N@@H+](Cc4ccc(C(=O)[O-])cc4)C[C@H]3F)nc2c1 ZINC000096112262 222381700 /nfs/dbraw/zinc/38/17/00/222381700.db2.gz DOFFAGNHOGHQAJ-APWZRJJASA-N 0 1 399.422 3.009 40 0 biogenic,in-vitro GGABMN Fc1ccc2nc(CO[C@H]3CN(Cc4ccc5c(c4)OCO5)C[C@H]3F)[nH]c2c1 ZINC000096112224 222382369 /nfs/dbraw/zinc/38/23/69/222382369.db2.gz VQSHQACHEFSSJN-KUHUBIRLSA-N 0 1 387.386 3.170 40 0 biogenic,in-vitro GGABMN C[C@@H](CNC(=O)C1=NO[C@]2(CCN(Cc3ccccc3)C2)C1)c1ccccc1 ZINC000096225718 222399804 /nfs/dbraw/zinc/39/98/04/222399804.db2.gz KEKRCKHLXHMTHX-FDDCHVKYSA-N 0 1 377.488 3.327 40 0 GGABMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)NCC(C)C)cc1 ZINC000408591731 534188222 /nfs/dbraw/zinc/18/82/22/534188222.db2.gz JHDNILXWFYQJFH-UHFFFAOYSA-N 0 1 377.466 3.274 40 0 GGABMN C[C@@H]1CN(C(=O)CCCCCn2c(=O)c3ccccc3[nH]c2=S)C[C@H](C)O1 ZINC000012607595 524765648 /nfs/dbraw/zinc/76/56/48/524765648.db2.gz HQHYPHPFBBYCFV-GASCZTMLSA-N 0 1 389.521 3.255 40 0 GGABMN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(OCC)c2)NC(=S)N1 ZINC000408608006 528065470 /nfs/dbraw/zinc/06/54/70/528065470.db2.gz LNQYTMHWHFGHNJ-QGZVFWFLSA-N 0 1 378.494 3.230 40 0 GGABMN CN1CCN(c2ccc(NC(=O)/C=C/c3cnn(-c4ccccc4)c3)cc2)CC1 ZINC000039995604 536422246 /nfs/dbraw/zinc/42/22/46/536422246.db2.gz VSZJYYCGUGBQJV-KPKJPENVSA-N 0 1 387.487 3.276 40 0 GGABMN COc1cccc(N2CCN(C[C@@H](O)CO[C@H]3CCCc4ccccc43)CC2)c1 ZINC000022132294 537123204 /nfs/dbraw/zinc/12/32/04/537123204.db2.gz BVVLFEFONVYHGK-QPPBQGQZSA-N 0 1 396.531 3.272 40 0 GGABMN Cn1c(C[C@H]2C[N@@H+](Cc3ccccn3)CC[C@H]2CC(=O)[O-])nc2ccccc21 ZINC000514289920 560031429 /nfs/dbraw/zinc/03/14/29/560031429.db2.gz PYKNVYVCMDKFBA-IRXDYDNUSA-N 0 1 378.476 3.124 40 0 biogenic,in-vitro GGABMN COc1ccc(CN2C[C@H]3CN(Cc4c[nH]c5ccccc45)CCN3C2=O)cc1 ZINC000096269126 560054127 /nfs/dbraw/zinc/05/41/27/560054127.db2.gz MOFMVFXNLLSKNT-LJQANCHMSA-N 0 1 390.487 3.299 40 0 biogenic,in-vitro GGABMN CC(=O)c1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1)OCO2 ZINC000001351255 564185214 /nfs/dbraw/zinc/18/52/14/564185214.db2.gz HBDGTASSZYGCCX-UHFFFAOYSA-N 0 1 398.234 3.181 40 0 GGABMN COc1ccccc1C(=O)NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1 ZINC000003371486 564195990 /nfs/dbraw/zinc/19/59/90/564195990.db2.gz CJZQNQKMAFFNMQ-UHFFFAOYSA-N 0 1 382.199 3.115 40 0 GGABMN Cc1ccc(C[N@H+]2CCC[C@@H](C3=Nc4ccccc4S(=O)(=O)[N-]3)C2)s1 ZINC000019217172 564303608 /nfs/dbraw/zinc/30/36/08/564303608.db2.gz AXMKIVYNUCOPQW-CQSZACIVSA-N 0 1 375.519 3.291 40 0 GGABMN CCN(CC)[C@@H](CNC(=O)CCN1CCSC1=O)c1ccccc1Cl ZINC000022681868 564319550 /nfs/dbraw/zinc/31/95/50/564319550.db2.gz KJWBKBFBRCQHLI-INIZCTEOSA-N 0 1 383.945 3.398 40 0 GGABMN CCC(CC)[C@H](CNC(=O)Cc1ccc(Br)cc1)N1CCOCC1 ZINC000022898689 564320091 /nfs/dbraw/zinc/32/00/91/564320091.db2.gz QEWXELHCPOXDRJ-SFHVURJKSA-N 0 1 397.357 3.245 40 0 GGABMN CCCOc1cc(Br)c(C=C2C(=O)NC(=O)NC2=O)cc1OCC ZINC000033778908 564414308 /nfs/dbraw/zinc/41/43/08/564414308.db2.gz IJAIFPHWSYSCLE-UHFFFAOYSA-N 0 1 397.225 3.226 40 0 GGABMN COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000038696621 564424058 /nfs/dbraw/zinc/42/40/58/564424058.db2.gz FCLDQFCXTAKTBQ-UHFFFAOYSA-N 0 1 380.853 3.276 40 0 GGABMN Nc1[nH]c(N2CCCC2)nc(=O)c1C(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000040385672 564427502 /nfs/dbraw/zinc/42/75/02/564427502.db2.gz XEFKGKPJPSOJLS-UHFFFAOYSA-N 0 1 384.292 3.047 40 0 GGABMN CCc1[nH]n(-c2ccccc2)c(=O)c1[C@H](NC(C)=O)C(Cl)(Cl)Cl ZINC000100989699 564914821 /nfs/dbraw/zinc/91/48/21/564914821.db2.gz KAXUWSPLXNLZLI-STQMWFEESA-N 0 1 376.671 3.290 40 0 GGABMN CC(C)N1CCC[C@]2(CN(Cc3nccs3)C[C@H]2c2nccs2)C1=O ZINC000306132068 565576441 /nfs/dbraw/zinc/57/64/41/565576441.db2.gz KXFFESTZQXEGAG-KBXCAEBGSA-N 0 1 376.551 3.216 40 0 GGABMN O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3ccc(F)c(Cl)c3)cc2o1 ZINC000223326580 565907398 /nfs/dbraw/zinc/90/73/98/565907398.db2.gz LJFYEICMNJBWSA-UHFFFAOYSA-N 0 1 377.180 3.368 40 0 GGABMN COc1ccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)cc1Cl ZINC000223328107 565908617 /nfs/dbraw/zinc/90/86/17/565908617.db2.gz WMNAZXPDFXFWHS-UHFFFAOYSA-N 0 1 389.216 3.237 40 0 GGABMN O=S(=O)(Cc1c(F)cccc1Cl)NCc1nc(-c2cccs2)no1 ZINC000223649294 565909008 /nfs/dbraw/zinc/90/90/08/565909008.db2.gz ZGZHEPLWMHMGRJ-UHFFFAOYSA-N 0 1 387.845 3.210 40 0 GGABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1 ZINC000223577277 565909069 /nfs/dbraw/zinc/90/90/69/565909069.db2.gz JDFPRXFKUTYEOX-UHFFFAOYSA-N 0 1 380.491 3.485 40 0 GGABMN CC(C)(C)CC(C)(C)NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 ZINC000225109956 565913834 /nfs/dbraw/zinc/91/38/34/565913834.db2.gz JYWGBVZVCHWXFQ-UHFFFAOYSA-N 0 1 376.548 3.016 40 0 GGABMN COc1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C ZINC000225703319 565916207 /nfs/dbraw/zinc/91/62/07/565916207.db2.gz UKQRGHOCHQFWRJ-UHFFFAOYSA-N 0 1 378.475 3.453 40 0 GGABMN CCc1nc(S(=O)(=O)Nc2c3nsnc3ccc2Cl)cn1CC1CC1 ZINC000685938942 567311882 /nfs/dbraw/zinc/31/18/82/567311882.db2.gz XKMIBVNJKWHPEY-UHFFFAOYSA-N 0 1 397.913 3.314 40 0 GGABMN CCOc1cccc2sc(NC(=O)c3cc(-c4cn(C)nc4C)n[nH]3)nc21 ZINC000019718699 570209910 /nfs/dbraw/zinc/20/99/10/570209910.db2.gz TWWKHTRCHVSMLG-UHFFFAOYSA-N 0 1 382.449 3.379 40 0 GGABMN CC[C@H](CN1CCOCC1)n1cncc1-c1c[nH]nc1-c1ccc(OC)cc1 ZINC000019719554 570210554 /nfs/dbraw/zinc/21/05/54/570210554.db2.gz JYFBXIPZZHGLDV-QGZVFWFLSA-N 0 1 381.480 3.232 40 0 GGABMN CCOC(=O)c1n[nH]cc1-c1cncn1C[C@H](c1ccccc1Cl)N(C)C ZINC000019719728 570211048 /nfs/dbraw/zinc/21/10/48/570211048.db2.gz BCNFEQSUFYZXJJ-QGZVFWFLSA-N 0 1 387.871 3.406 40 0 GGABMN O=C(CN1CCC([C@@H]2CCCCN(Cc3ccccc3)C2=O)CC1)N1CCCC1 ZINC000019743968 570213214 /nfs/dbraw/zinc/21/32/14/570213214.db2.gz NEKCIPNHPIEXCW-QFIPXVFZSA-N 0 1 397.563 3.150 40 0 GGABMN O=C(NCC[C@@H]1CCCCN1Cc1ccnc(N2CCCC2)n1)C1CCCC1 ZINC000019746247 570213688 /nfs/dbraw/zinc/21/36/88/570213688.db2.gz BZOVYSFSIKTNBY-FQEVSTJZSA-N 0 1 385.556 3.128 40 0 GGABMN C[C@H](CNC(=O)C1=NO[C@@]2(CCN(Cc3ccccc3)C2)C1)c1ccccc1 ZINC000096225721 570220490 /nfs/dbraw/zinc/22/04/90/570220490.db2.gz KEKRCKHLXHMTHX-JPYJTQIMSA-N 0 1 377.488 3.327 40 0 GGABMN O=C(c1ccc(Cl)cc1)N1CCC2(CC1)COCCN(Cc1cccnc1)C2 ZINC000096239886 570222062 /nfs/dbraw/zinc/22/20/62/570222062.db2.gz JXDKCXHSDJKBGN-UHFFFAOYSA-N 0 1 399.922 3.490 40 0 GGABMN CN(C)[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)Cc1ccccc1 ZINC000048288125 570227970 /nfs/dbraw/zinc/22/79/70/570227970.db2.gz XBTHTPLNFHDSPK-INIZCTEOSA-N 0 1 386.439 3.157 40 0 GGABMN O[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@H]1Oc1cccc(F)c1 ZINC000585268305 570233911 /nfs/dbraw/zinc/23/39/11/570233911.db2.gz IPBNAZMIOZNPOT-DHIUTWEWSA-N 0 1 394.446 3.424 40 0 GGABMN O[C@@H]1CN(Cc2ccc(OCc3ccccn3)cc2)C[C@H]1Oc1cccc(F)c1 ZINC000585268305 570233912 /nfs/dbraw/zinc/23/39/12/570233912.db2.gz IPBNAZMIOZNPOT-DHIUTWEWSA-N 0 1 394.446 3.424 40 0 GGABMN Cc1cc(COc2ccc(CN3C[C@@H](O)[C@H](Oc4cccc(F)c4)C3)cc2)no1 ZINC000585269063 570235449 /nfs/dbraw/zinc/23/54/49/570235449.db2.gz BDRQHKGQCUTTLS-FGZHOGPDSA-N 0 1 398.434 3.325 40 0 GGABMN C[C@]12C[C@H](CC(C)(C)C1)[N@H+](Cc1c([O-])c(CN3CCSCC3)coc1=O)C2 ZINC000101363127 570249704 /nfs/dbraw/zinc/24/97/04/570249704.db2.gz JXBIULDEWRYAKA-KKSFZXQISA-N 0 1 392.565 3.295 40 0 GGABMN C[C@]12C[C@H](CC(C)(C)C1)[N@@H+](Cc1c([O-])c(CN3CCSCC3)coc1=O)C2 ZINC000101363127 570249707 /nfs/dbraw/zinc/24/97/07/570249707.db2.gz JXBIULDEWRYAKA-KKSFZXQISA-N 0 1 392.565 3.295 40 0 GGABMN Cn1cnc(CN2CCC[C@H](c3ccc(-c4noc(C(F)(F)F)n4)cn3)C2)c1 ZINC000585288912 570256709 /nfs/dbraw/zinc/25/67/09/570256709.db2.gz AMIAEDSSMUWVFE-ZDUSSCGKSA-N 0 1 392.385 3.264 40 0 GGABMN Cn1cnc(CN2CCC(c3cccc(-c4noc(C(F)(F)F)n4)n3)CC2)c1 ZINC000585288943 570256869 /nfs/dbraw/zinc/25/68/69/570256869.db2.gz AZJHTIDRIIIVRM-UHFFFAOYSA-N 0 1 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COc1ccccc1C(=O)NC(=O)COC(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000020883409 1399355643 /nfs/dbraw/zinc/35/56/43/1399355643.db2.gz WUPJUGKGVBRCLC-UHFFFAOYSA-N 0 1 383.444 3.351 40 0 GGABMN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)CC1 ZINC000025086834 1399739582 /nfs/dbraw/zinc/73/95/82/1399739582.db2.gz FPLALLDGQRKHOE-UHFFFAOYSA-N 0 1 390.871 3.423 40 0 GGABMN CCOC(=O)C1CCN(C[C@@H](O)COc2ccc(OC)cc2C(C)(C)C)CC1 ZINC000026781142 1399933120 /nfs/dbraw/zinc/93/31/20/1399933120.db2.gz WNPJRJNBCLWBGY-QGZVFWFLSA-N 0 1 393.524 3.008 40 0 GGABMN CCCCOC(=O)c1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)cc1 ZINC000068900510 1409520361 /nfs/dbraw/zinc/52/03/61/1409520361.db2.gz YUGCPAITJVRZBF-UHFFFAOYSA-N 0 1 390.461 3.267 40 0 GGABMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000263412657 1434005796 /nfs/dbraw/zinc/00/57/96/1434005796.db2.gz VGEMIQADHVWLCM-KBAYOESNSA-N 0 1 393.915 3.167 40 0 GGABMN Cc1ccc(NC(=O)c2cnc(NS(=O)(=O)c3ccc(C)cc3)nc2)cc1 ZINC000408531874 231052135 /nfs/dbraw/zinc/05/21/35/231052135.db2.gz MQCBZQRAWZDBNP-UHFFFAOYSA-N 0 1 382.445 3.147 40 0 GGABMN Cc1ccccc1C(=O)N1CC[NH+]([C@H](CCC(=O)[O-])c2ccc(F)cc2)CC1 ZINC000408603021 231076724 /nfs/dbraw/zinc/07/67/24/231076724.db2.gz AHSNOQBHAYRVAV-HXUWFJFHSA-N 0 1 384.451 3.498 40 0 GGABMN CN(C)C(=O)[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2Cn1cc(-c2ccc(C(C)(C)C)cc2)nn1 ZINC000008297574 291126964 /nfs/dbraw/zinc/12/69/64/291126964.db2.gz FSMDBJRXKGKBBO-SXLOBPIMSA-N 0 1 395.551 3.041 40 0 biogenic,in-vitro GGABMN COc1cccc(CNC(=O)CN2CCC(c3nc4ccccc4[nH]3)CC2)c1 ZINC000004861775 204083564 /nfs/dbraw/zinc/08/35/64/204083564.db2.gz JWGMAHRXWDXZRW-UHFFFAOYSA-N 0 1 378.476 3.067 40 0 GGABMN COC(=O)N1c2ccccc2[C@@]23CC[N@H+]4CCC[C@]5(CC[C@]12[C@@H](C(=O)[O-])C5)[C@H]43 ZINC000005029057 204105167 /nfs/dbraw/zinc/10/51/67/204105167.db2.gz KGKWFGPHYYEERW-VEUCTLLHSA-N 0 1 382.460 3.002 40 0 GGABMN O=C(C[C@@H]1C(=O)Nc2ccccc2S1(=O)=O)Nc1cc(Cl)ccc1Cl ZINC000005721930 204148510 /nfs/dbraw/zinc/14/85/10/204148510.db2.gz LNYBVFLQHDQIAR-CQSZACIVSA-N 0 1 399.255 3.117 40 0 GGABMN C[C@H](NC(=O)CN1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccc(F)cc1 ZINC000035267083 204140637 /nfs/dbraw/zinc/14/06/37/204140637.db2.gz UDAZDFGNIYHMKH-WMZOPIPTSA-N 0 1 383.467 3.354 40 0 GGABMN O=C([O-])[C@@H]1CCC[N@@H+](Cc2c(-c3ccc4c(c3)OCO4)nc3ccccn32)C1 ZINC000006740870 204198966 /nfs/dbraw/zinc/19/89/66/204198966.db2.gz MBSLUTNVSUSGLW-OAHLLOKOSA-N 0 1 379.416 3.027 40 0 GGABMN CN(C)c1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(C(=O)[O-])cc3)n2)cn1 ZINC000035426221 204201209 /nfs/dbraw/zinc/20/12/09/204201209.db2.gz NTDSVXLQZYKPNB-KRWDZBQOSA-N 0 1 393.447 3.233 40 0 biogenic,in-vitro GGABMN CN(C)c1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(C(=O)[O-])cc3)n2)cn1 ZINC000035426221 204201210 /nfs/dbraw/zinc/20/12/10/204201210.db2.gz NTDSVXLQZYKPNB-KRWDZBQOSA-N 0 1 393.447 3.233 40 0 biogenic,in-vitro GGABMN CCn1c2ccccc2c2cc(NC(=O)[C@H](C)N3CCC(C(N)=O)CC3)ccc21 ZINC000007435351 204240851 /nfs/dbraw/zinc/24/08/51/204240851.db2.gz QOCYEWJTDYQORF-HNNXBMFYSA-N 0 1 392.503 3.339 40 0 GGABMN COC(=O)C1=C(CN2CCc3ccccc32)NC(=O)N[C@@H]1c1ccc(C)cc1C ZINC000008306796 204271128 /nfs/dbraw/zinc/27/11/28/204271128.db2.gz IHFIXPQGEGWJBO-OAQYLSRUSA-N 0 1 391.471 3.147 40 0 GGABMN O=C1CO[C@H]2CN(Cc3ccccc3)C[C@H]2N1Cc1cccc(C(F)(F)F)c1 ZINC000067897309 204306405 /nfs/dbraw/zinc/30/64/05/204306405.db2.gz NSMXETXALDTOHD-MOPGFXCFSA-N 0 1 390.405 3.317 40 0 biogenic,in-vitro GGABMN CC(C)c1ccc(C(=O)COC(=O)c2ccccc2NS(C)(=O)=O)cc1 ZINC000010265843 204332843 /nfs/dbraw/zinc/33/28/43/204332843.db2.gz NVUJQNQOETVIKJ-UHFFFAOYSA-N 0 1 375.446 3.221 40 0 GGABMN Cc1cc(-c2cncnc2[C@H]2CCCN(C(=O)c3cc(C(C)C)[nH]n3)C2)on1 ZINC000012087323 204370733 /nfs/dbraw/zinc/37/07/33/204370733.db2.gz GMMXOGSPHUYZFK-AWEZNQCLSA-N 0 1 380.452 3.306 40 0 GGABMN COc1ccc(C2(C(=O)NCCc3nc(-c4ccncc4)n[nH]3)CCCC2)cc1 ZINC000012114872 204372057 /nfs/dbraw/zinc/37/20/57/204372057.db2.gz IEAAGOSRVRPBLP-UHFFFAOYSA-N 0 1 391.475 3.046 40 0 GGABMN C[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1n[nH]c(-c2ccncc2)n1 ZINC000012114825 204372267 /nfs/dbraw/zinc/37/22/67/204372267.db2.gz WIIDRRWKWPOSEO-CYBMUJFWSA-N 0 1 385.493 3.204 40 0 GGABMN O=C(NCCc1nc(-c2cccnc2)n[nH]1)[C@H](c1ccccc1)C1CCCC1 ZINC000012114791 204372824 /nfs/dbraw/zinc/37/28/24/204372824.db2.gz XYPZHLVMXPLYJO-HXUWFJFHSA-N 0 1 375.476 3.499 40 0 GGABMN O=C(NCCc1n[nH]c(-c2cccnc2)n1)[C@H](c1ccccc1)C1CCCC1 ZINC000012114791 204372826 /nfs/dbraw/zinc/37/28/26/204372826.db2.gz XYPZHLVMXPLYJO-HXUWFJFHSA-N 0 1 375.476 3.499 40 0 GGABMN COc1cccc2ccc(CN(Cc3ccc4c(c3)OCO4)C[C@@H](C)O)nc21 ZINC000012147964 204376803 /nfs/dbraw/zinc/37/68/03/204376803.db2.gz CRZRPWPYBRCBMN-OAHLLOKOSA-N 0 1 380.444 3.355 40 0 GGABMN Cc1cc(N2CCN(C[C@@H](O)c3c[nH]c4ccc(F)cc43)CC2)nc(C(C)C)n1 ZINC000012330408 204399513 /nfs/dbraw/zinc/39/95/13/204399513.db2.gz NOMFZMPLSWOCNL-HXUWFJFHSA-N 0 1 397.498 3.384 40 0 GGABMN CCC[C@@H]1c2cccn2CCN1Cc1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000012188581 204379961 /nfs/dbraw/zinc/37/99/61/204379961.db2.gz XKVHBRQNXOEAND-OAQYLSRUSA-N 0 1 397.519 3.083 40 0 GGABMN COc1ccc(CN(Cc2ccc3c(c2)n(C)c(=O)n3C)C[C@H]2CCCO2)cc1 ZINC000012187549 204379988 /nfs/dbraw/zinc/37/99/88/204379988.db2.gz STQWYQPCCSAHQH-HXUWFJFHSA-N 0 1 395.503 3.067 40 0 GGABMN Cc1cccc2c(C(=O)NC[C@@H](c3ccc4c(c3)OCO4)N(C)C)cc(=O)[nH]c12 ZINC000012203635 204382807 /nfs/dbraw/zinc/38/28/07/204382807.db2.gz SZQWFVFZMHAKMD-KRWDZBQOSA-N 0 1 393.443 3.010 40 0 GGABMN O=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000012200076 204383176 /nfs/dbraw/zinc/38/31/76/204383176.db2.gz CFSCTMRTXUZUIH-UHFFFAOYSA-N 0 1 398.362 3.160 40 0 GGABMN Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)c3cc(C(C)C)[nH]n3)C2)on1 ZINC000012221518 204385573 /nfs/dbraw/zinc/38/55/73/204385573.db2.gz VCNUPVGYCOBRJU-GFCCVEGCSA-N 0 1 386.481 3.368 40 0 GGABMN C[C@H]1CCCN(CC(=O)N[C@@H]2CC(C)(C)Cc3nc(-c4cccnc4)ncc32)C1 ZINC000012239967 204386405 /nfs/dbraw/zinc/38/64/05/204386405.db2.gz OUYPEXKSSSIRQA-QFBILLFUSA-N 0 1 393.535 3.400 40 0 GGABMN CCc1c(C)nc2cc([C@H]3CC[N@@H+](Cc4cc(OC)cc(OC)c4)C3)[n-]n2c1=O ZINC000012276363 204387678 /nfs/dbraw/zinc/38/76/78/204387678.db2.gz XXKYHEQWJNIQCO-INIZCTEOSA-N 0 1 396.491 3.312 40 0 GGABMN CCc1c(C)nc2cc([C@@H]3CC[N@@H+](Cc4ccc(OC)cc4F)C3)[n-]n2c1=O ZINC000012255410 204388204 /nfs/dbraw/zinc/38/82/04/204388204.db2.gz GNNKHXUEUAOLPO-OAHLLOKOSA-N 0 1 384.455 3.443 40 0 GGABMN O=C(Nc1ccc([C@@H](O)CN2CCC(O)(c3ccccc3F)CC2)cc1)C1CC1 ZINC000012292737 204389304 /nfs/dbraw/zinc/38/93/04/204389304.db2.gz JAIMKDKOAYDYQP-NRFANRHFSA-N 0 1 398.478 3.191 40 0 GGABMN O=C(Cc1ccccc1Cl)NCCN1CCC(O)(c2cccc(F)c2)CC1 ZINC000012290884 204389357 /nfs/dbraw/zinc/38/93/57/204389357.db2.gz LGTWTWBOKOHJKU-UHFFFAOYSA-N 0 1 390.886 3.121 40 0 GGABMN O=C(Cc1cccc(Cl)c1)NCCN1CCC(O)(c2ccc(F)cc2)CC1 ZINC000012290924 204389776 /nfs/dbraw/zinc/38/97/76/204389776.db2.gz ILTDDYANRWOOJO-UHFFFAOYSA-N 0 1 390.886 3.121 40 0 GGABMN COc1ccccc1CNCc1cc2c(C)nn(-c3ccc(F)cc3)c2[nH]c1=O ZINC000012325238 204397867 /nfs/dbraw/zinc/39/78/67/204397867.db2.gz CRUKTXPPHCCLCR-UHFFFAOYSA-N 0 1 392.434 3.460 40 0 GGABMN Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1 ZINC000017012456 204603403 /nfs/dbraw/zinc/60/34/03/204603403.db2.gz WEYLTBLWNBNYMN-UHFFFAOYSA-N 0 1 385.899 3.001 40 0 GGABMN Cn1cc(CN2CCC([C@H]3CCCCN(Cc4ccccc4)C3=O)CC2)cn1 ZINC000019744020 204680236 /nfs/dbraw/zinc/68/02/36/204680236.db2.gz XUYOWYROXFVQIC-JOCHJYFZSA-N 0 1 380.536 3.461 40 0 GGABMN COc1cc(C)c(S(=O)(=O)NCCCN2CCc3ccccc3C2)c(C)c1 ZINC000029230352 204889294 /nfs/dbraw/zinc/88/92/94/204889294.db2.gz OJJDVFUYZWTRKN-UHFFFAOYSA-N 0 1 388.533 3.039 40 0 GGABMN CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)CN1CCN(c2ccccn2)CC1 ZINC000037197667 205024302 /nfs/dbraw/zinc/02/43/02/205024302.db2.gz JTIIJRQPGWAMCM-JSXRDJHFSA-N 0 1 375.557 3.042 40 0 GGABMN O=C(Nc1ccc(C(F)(F)F)cc1)N1CCCN(CCn2cccn2)CC1 ZINC000077100051 205032072 /nfs/dbraw/zinc/03/20/72/205032072.db2.gz YPBDRPDJJYPASW-UHFFFAOYSA-N 0 1 381.402 3.142 40 0 GGABMN O=c1c2cnc3c(-c4ccc(Cl)cc4)cnn3c2ccn1CCc1cnc[nH]1 ZINC000040397335 205064388 /nfs/dbraw/zinc/06/43/88/205064388.db2.gz FELYJKYXMSVYGR-UHFFFAOYSA-N 0 1 390.834 3.330 40 0 GGABMN CC(C)[C@H](CNC(=O)c1ccccc1COc1ccccc1)N1CCN(C)CC1 ZINC000042578138 205080635 /nfs/dbraw/zinc/08/06/35/205080635.db2.gz GJTAOCOPVUSGBR-QHCPKHFHSA-N 0 1 395.547 3.267 40 0 GGABMN COC(=O)C1C(CN2C[C@H](C)C[C@H](C)C2)=NC(=O)N[C@@H]1c1ccc(C)cc1C ZINC000049946944 205130703 /nfs/dbraw/zinc/13/07/03/205130703.db2.gz ONLUHYGSYJISHX-QEEYODRMSA-N 0 1 385.508 3.062 40 0 GGABMN COc1ccc(-c2n[nH]c(SCc3cn4c(n3)nc(C)cc4C)n2)c(OC)c1 ZINC000066000076 205239521 /nfs/dbraw/zinc/23/95/21/205239521.db2.gz ZAYDUUZAXMDQOJ-UHFFFAOYSA-N 0 1 396.476 3.441 40 0 GGABMN Cc1cc(C)nc(Nc2cncc([C@H]3CCCN(Cc4cccnc4)C3)n2)n1 ZINC000072360965 205333992 /nfs/dbraw/zinc/33/39/92/205333992.db2.gz VPSWUEXIVLOYHA-SFHVURJKSA-N 0 1 375.480 3.402 40 0 GGABMN Cc1nc([C@H]2CCCN(Cc3cnn(C)c3)C2)ncc1C(=O)Nc1ccccc1 ZINC000072345538 205329282 /nfs/dbraw/zinc/32/92/82/205329282.db2.gz YHVXQUINZGLOJN-SFHVURJKSA-N 0 1 390.491 3.150 40 0 GGABMN CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCCN(Cc2ccncc2)C1 ZINC000072344794 205329681 /nfs/dbraw/zinc/32/96/81/205329681.db2.gz UOYGBSATXOPJSE-FQEVSTJZSA-N 0 1 389.503 3.457 40 0 GGABMN Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN(C(=O)c3ccn[nH]3)C2)n1 ZINC000072346146 205329973 /nfs/dbraw/zinc/32/99/73/205329973.db2.gz XGOCCVGWNLUBBM-CYBMUJFWSA-N 0 1 382.855 3.122 40 0 GGABMN CC(=O)Nc1cccc(-c2cccc([C@H]3CCCN(C(=O)c4ccn[nH]4)C3)n2)c1 ZINC000072349790 205330924 /nfs/dbraw/zinc/33/09/24/205330924.db2.gz YMKUUQXYWVYMQN-KRWDZBQOSA-N 0 1 389.459 3.450 40 0 GGABMN Nc1cc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)ccn1 ZINC000072357460 205332104 /nfs/dbraw/zinc/33/21/04/205332104.db2.gz WZXAIKPSLZCLPY-QGZVFWFLSA-N 0 1 391.475 3.229 40 0 GGABMN CN(C)C(=O)CN1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359618 205333853 /nfs/dbraw/zinc/33/38/53/205333853.db2.gz NRWSUFGHUCTDKU-OAHLLOKOSA-N 0 1 392.425 3.430 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ZINC000306139420 206205346 /nfs/dbraw/zinc/20/53/46/206205346.db2.gz SWVSODHGYWZPNE-IBGZPJMESA-N 0 1 379.504 3.143 40 0 GGABMN Cc1cccc(C(=O)N2CC3(C2)C[C@H](COCc2ccccn2)CCN3C)c1 ZINC000306139421 206205823 /nfs/dbraw/zinc/20/58/23/206205823.db2.gz SWVSODHGYWZPNE-LJQANCHMSA-N 0 1 379.504 3.143 40 0 GGABMN CN1CCN(Cc2cccs2)C[C@@H]1c1cn2c(cccc2N2CCCC2)n1 ZINC000306142636 206207183 /nfs/dbraw/zinc/20/71/83/206207183.db2.gz XFDUMRYNWSCDMD-LJQANCHMSA-N 0 1 381.549 3.485 40 0 GGABMN COc1ncccc1CN1CC[C@@]2(C1)CN(Cc1ccccn1)c1cccnc12 ZINC000306144943 206207587 /nfs/dbraw/zinc/20/75/87/206207587.db2.gz ZSWLBKXPRRIPAL-HSZRJFAPSA-N 0 1 387.487 3.044 40 0 GGABMN COc1cccc(-c2cnc3n2C[C@@]2(CCN(Cc4ccccn4)C2)OC3)c1 ZINC000306143710 206207683 /nfs/dbraw/zinc/20/76/83/206207683.db2.gz YKCGQUQMVGZMBW-QFIPXVFZSA-N 0 1 376.460 3.129 40 0 GGABMN CCn1cc(CN2CCC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)cn1 ZINC000306143738 206207880 /nfs/dbraw/zinc/20/78/80/206207880.db2.gz YLCIVKSXHVURSG-HXUWFJFHSA-N 0 1 387.491 3.387 40 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/nfs/dbraw/zinc/20/20/47/206202047.db2.gz LLYMDWUXCPHUNB-QFIPXVFZSA-N 0 1 376.460 3.129 40 0 GGABMN CC(C)n1cnc([C@H]2CN(Cc3nccs3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306136294 206202903 /nfs/dbraw/zinc/20/29/03/206202903.db2.gz PPBBBUOZWTTXJD-DYESRHJHSA-N 0 1 399.564 3.149 40 0 GGABMN COc1ncccc1CN1CC[C@@]2(C1)Cn1c(-c3ccc(F)cc3)cnc1CO2 ZINC000306136542 206203448 /nfs/dbraw/zinc/20/34/48/206203448.db2.gz PWGYPTCZCMFOTB-JOCHJYFZSA-N 0 1 394.450 3.268 40 0 GGABMN COc1cccc(-c2[nH]nc3c2[C@H](c2ccc(OC)c(OC)c2)N(C)C3=O)c1 ZINC000004909485 206214673 /nfs/dbraw/zinc/21/46/73/206214673.db2.gz KOKPTQIZTZNRFL-FQEVSTJZSA-N 0 1 379.416 3.278 40 0 GGABMN COc1cccc(-c2[nH]nc3c2[C@H](c2ccc(OC)cc2OC)N(C)C3=O)c1 ZINC000004909497 206215470 /nfs/dbraw/zinc/21/54/70/206215470.db2.gz UNFURHSLVXEIAP-FQEVSTJZSA-N 0 1 379.416 3.278 40 0 GGABMN COc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409058775 533471944 /nfs/dbraw/zinc/47/19/44/533471944.db2.gz SYPCEGLFBMEPSN-VGOFMYFVSA-N 0 1 376.771 3.247 40 0 GGABMN CC[C@H](C)n1nc(-c2ccc(N3CCN(c4ccc(O)cc4)CC3)cc2)[nH]c1=O ZINC000064220071 136156646 /nfs/dbraw/zinc/15/66/46/136156646.db2.gz GQNFCQJGGZWGNK-INIZCTEOSA-N 0 1 393.491 3.242 40 0 GGABMN CCN1C[C@@H](CN(C)Cc2cc(=O)n3cc(Cl)ccc3n2)Oc2ccccc21 ZINC000069876703 136165289 /nfs/dbraw/zinc/16/52/89/136165289.db2.gz WMYTWYREQLPFFY-QGZVFWFLSA-N 0 1 398.894 3.067 40 0 GGABMN CCN1CCN(c2ncc(-c3ccc4c(c3)OCO4)c(-c3cccnc3)n2)CC1 ZINC000072339490 136168633 /nfs/dbraw/zinc/16/86/33/136168633.db2.gz IRYSZKBWXNQFKA-UHFFFAOYSA-N 0 1 389.459 3.076 40 0 GGABMN CCOc1ccccc1N1CCN(CCC(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000022197933 136203701 /nfs/dbraw/zinc/20/37/01/136203701.db2.gz VXLJNJXHQUOZFZ-IBGZPJMESA-N 0 1 381.520 3.475 40 0 GGABMN CCC(=O)Nc1cc(S(=O)(=O)Nc2cc(C)ccc2OC)ccc1OC ZINC000408698534 528424905 /nfs/dbraw/zinc/42/49/05/528424905.db2.gz QSLGJXIRZWDDPQ-UHFFFAOYSA-N 0 1 378.450 3.162 40 0 GGABMN CCOc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1NC(=O)CC ZINC000408699411 528589193 /nfs/dbraw/zinc/58/91/93/528589193.db2.gz WSVQKYRQQPOUBI-UHFFFAOYSA-N 0 1 378.450 3.243 40 0 GGABMN CCOc1ccccc1NS(=O)(=O)c1ccc(OCC)c(NC(C)=O)c1 ZINC000408559571 528746104 /nfs/dbraw/zinc/74/61/04/528746104.db2.gz MOSWESYZEQDJOM-UHFFFAOYSA-N 0 1 378.450 3.243 40 0 GGABMN CCOc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CCCC2)c1 ZINC000408600794 528747009 /nfs/dbraw/zinc/74/70/09/528747009.db2.gz CLSLKVRSMFGLND-UHFFFAOYSA-N 0 1 388.489 3.431 40 0 GGABMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Nc2cc(C)on2)CC1 ZINC000060332839 535746646 /nfs/dbraw/zinc/74/66/46/535746646.db2.gz FMBVGFIWMDABTP-AWEZNQCLSA-N 0 1 375.448 3.147 40 0 GGABMN CCN1CCN(c2ccccc2NC(=O)/C=C/c2cc(OC)cc(OC)c2)CC1 ZINC000012550045 535754271 /nfs/dbraw/zinc/75/42/71/535754271.db2.gz RZRKVRAFTJLTEK-MDZDMXLPSA-N 0 1 395.503 3.498 40 0 GGABMN CCC(CC)C(=O)N1CCN2[C@H](CN(Cc3ccc(OC)cc3)CC2(C)C)C1 ZINC000253403947 560040428 /nfs/dbraw/zinc/04/04/28/560040428.db2.gz QRMLHRBLOXDMKM-HXUWFJFHSA-N 0 1 387.568 3.238 40 0 biogenic,in-vitro GGABMN COc1ccc(CN2C[C@@H]3CN(C(=O)C4CCCCC4)CCN3C(C)(C)C2)cc1 ZINC000253400720 560040491 /nfs/dbraw/zinc/04/04/91/560040491.db2.gz LNZRGCIBIOOTIN-OAQYLSRUSA-N 0 1 399.579 3.383 40 0 biogenic,in-vitro GGABMN O[C@H]1CC[C@@H](Cc2cc(-c3ccc(F)cc3)on2)O[C@@H]1CNCc1ccccn1 ZINC000077262597 560046570 /nfs/dbraw/zinc/04/65/70/560046570.db2.gz OOKCOPOYSPEXHP-JAXLGGSGSA-N 0 1 397.450 3.117 40 0 biogenic,in-vitro GGABMN FC(F)(F)Oc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3cnc[nH]3)n2)cc1 ZINC000067898717 560049744 /nfs/dbraw/zinc/04/97/44/560049744.db2.gz ZFTJFMUUKHCYHW-INIZCTEOSA-N 0 1 393.369 3.272 40 0 biogenic,in-vitro GGABMN COc1ccccc1-c1nnc([C@H]2CC[N@@H+](Cc3ccc(C(=O)[O-])cc3)C2)o1 ZINC000049169991 560084178 /nfs/dbraw/zinc/08/41/78/560084178.db2.gz FMLJLNNNINBPFN-INIZCTEOSA-N 0 1 379.416 3.433 40 0 biogenic,in-vitro GGABMN Cc1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3C(=O)c3ccco3)n2)cc1 ZINC000015675792 560094825 /nfs/dbraw/zinc/09/48/25/560094825.db2.gz JCXLLZQACIRHSW-INIZCTEOSA-N 0 1 375.388 3.301 40 0 biogenic,in-vitro GGABMN O[C@@H]1C[C@@H](c2nc(-c3ccc(C(F)(F)F)cc3)no2)N(C2CCOCC2)C1 ZINC000015674168 560230899 /nfs/dbraw/zinc/23/08/99/560230899.db2.gz FWZAVDMBNOPIHX-CABCVRRESA-N 0 1 383.370 3.042 40 0 biogenic,in-vitro GGABMN COc1ccc(CNCC(=O)Nc2ccccc2I)cc1 ZINC000003339000 564196127 /nfs/dbraw/zinc/19/61/27/564196127.db2.gz JFRZKWCQJYUSGF-UHFFFAOYSA-N 0 1 396.228 3.028 40 0 GGABMN CCNC(=O)c1cc(S(=O)(=O)Nc2cccc(Br)c2)cs1 ZINC000006681611 564226981 /nfs/dbraw/zinc/22/69/81/564226981.db2.gz FDHFHKKZRXIQPG-UHFFFAOYSA-N 0 1 389.296 3.061 40 0 GGABMN CCc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](NC(C)=O)C(Cl)(Cl)Cl ZINC000016636729 564295132 /nfs/dbraw/zinc/29/51/32/564295132.db2.gz KAXUWSPLXNLZLI-CHWSQXEVSA-N 0 1 376.671 3.290 40 0 GGABMN Cc1cc(S(=O)(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c(C)s1 ZINC000021963300 564312746 /nfs/dbraw/zinc/31/27/46/564312746.db2.gz MPDHKCDQXBQSHR-UHFFFAOYSA-N 0 1 375.479 3.154 40 0 GGABMN C[C@H]1CN(C(C)(C)CNC(=O)/C=C/c2cccc(Br)c2)C[C@H](C)O1 ZINC000023181219 564323448 /nfs/dbraw/zinc/32/34/48/564323448.db2.gz JOOOJPWXZZWYQJ-JJGIJDNGSA-N 0 1 395.341 3.466 40 0 GGABMN COCc1cccc(NS(=O)(=O)c2cc(Br)ccc2OC)c1 ZINC000026547322 564347467 /nfs/dbraw/zinc/34/74/67/564347467.db2.gz SGTAPINNBGQBBA-UHFFFAOYSA-N 0 1 386.267 3.405 40 0 GGABMN Nc1nn(CC(=O)c2ccc(Cl)cc2Cl)c(=S)n1Nc1ccncc1 ZINC000028535004 564363377 /nfs/dbraw/zinc/36/33/77/564363377.db2.gz RBTXUOHYSAPCLJ-UHFFFAOYSA-N 0 1 395.275 3.456 40 0 GGABMN COCCN1CCc2nc(SCc3c(F)cccc3Cl)[nH]c(=O)c2C1 ZINC000033287212 564412708 /nfs/dbraw/zinc/41/27/08/564412708.db2.gz BPLXUWXNFIOHKI-UHFFFAOYSA-N 0 1 383.876 3.272 40 0 GGABMN O=[S@](c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1)C(F)(F)F ZINC000072312980 564863244 /nfs/dbraw/zinc/86/32/44/564863244.db2.gz AMTDKIZEOJCCRT-QHCPKHFHSA-N 0 1 385.335 3.393 40 0 GGABMN N[C@H](c1nnc(-c2ccc(I)cc2)[nH]1)c1ccc(F)cc1 ZINC000095533299 564899927 /nfs/dbraw/zinc/89/99/27/564899927.db2.gz UCQOPDHCHMICHW-ZDUSSCGKSA-N 0 1 394.191 3.264 40 0 GGABMN CCS(=O)(=O)c1sc2[nH]nc(N)c2c1-c1ccc(Br)cc1 ZINC000096532177 564902143 /nfs/dbraw/zinc/90/21/43/564902143.db2.gz WKCHGKHGBRVPHR-UHFFFAOYSA-N 0 1 386.296 3.430 40 0 GGABMN Cn1c(=O)c2ccc(C(=O)Nc3cccc(Br)c3)cc2[nH]c1=S ZINC000102590388 564931159 /nfs/dbraw/zinc/93/11/59/564931159.db2.gz HCDVNOQQUYOHMR-UHFFFAOYSA-N 0 1 390.262 3.237 40 0 GGABMN CCNC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2OC)ccc1C ZINC000408626002 565614726 /nfs/dbraw/zinc/61/47/26/565614726.db2.gz XVMUERQQQAVWMO-UHFFFAOYSA-N 0 1 382.869 3.208 40 0 GGABMN O=S(=O)(NCCSc1nc(-c2ccccc2)n[nH]1)c1ccc(Cl)cc1 ZINC000222985447 565907617 /nfs/dbraw/zinc/90/76/17/565907617.db2.gz AVSJVVLEESCZHI-UHFFFAOYSA-N 0 1 394.909 3.196 40 0 GGABMN CN1CCN(c2ccc(N)cc2NC(=O)c2ccccc2Br)CC1 ZINC000226258743 565918181 /nfs/dbraw/zinc/91/81/81/565918181.db2.gz YDJOEOKYABWJGC-UHFFFAOYSA-N 0 1 389.297 3.035 40 0 GGABMN O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)N1CC(CC2CC2)C1 ZINC000621468242 567586655 /nfs/dbraw/zinc/58/66/55/567586655.db2.gz YWFJYYDRCZWBGA-UHFFFAOYSA-N 0 1 390.285 3.176 40 0 GGABMN O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)N1CC(CC2CC2)C1 ZINC000621468242 567586661 /nfs/dbraw/zinc/58/66/61/567586661.db2.gz YWFJYYDRCZWBGA-UHFFFAOYSA-N 0 1 390.285 3.176 40 0 GGABMN CCOC(=O)c1n[nH]cc1-c1cncn1C[C@@H](c1ccccc1Cl)N(C)C ZINC000019719729 570210844 /nfs/dbraw/zinc/21/08/44/570210844.db2.gz BCNFEQSUFYZXJJ-KRWDZBQOSA-N 0 1 387.871 3.406 40 0 GGABMN CCOc1ccc(-c2n[nH]cc2-c2cncn2[C@H](C)CN2CCOCC2)cc1 ZINC000019719719 570210943 /nfs/dbraw/zinc/21/09/43/570210943.db2.gz SNNRPZGXFMDUCI-MRXNPFEDSA-N 0 1 381.480 3.232 40 0 GGABMN CC(C)c1ncc(CN2CC[C@H](C(=O)NCCc3c[nH]c4ccccc34)C2)cn1 ZINC000019747986 570214313 /nfs/dbraw/zinc/21/43/13/570214313.db2.gz MSTOMXPKZNXYMG-IBGZPJMESA-N 0 1 391.519 3.262 40 0 GGABMN C[C@H](NC(=O)CC1CCN(Cc2ccccn2)CC1)c1nc2ccccc2[nH]1 ZINC000019748816 570214676 /nfs/dbraw/zinc/21/46/76/570214676.db2.gz NDSHMFNXIFRAQI-INIZCTEOSA-N 0 1 377.492 3.437 40 0 GGABMN Cc1c(CN2CCC[C@H](c3nc(C)c4c(n3)N(CC3CC3)CCC4)C2)cnn1C ZINC000019752567 570215857 /nfs/dbraw/zinc/21/58/57/570215857.db2.gz WFFRVIMLQDTVOP-IBGZPJMESA-N 0 1 394.567 3.369 40 0 GGABMN Cc1ccc(C(=O)N2CCC3(CC2)COCCN(Cc2cccnc2)C3)cc1C ZINC000096239883 570222241 /nfs/dbraw/zinc/22/22/41/570222241.db2.gz YELMJVBERSSRIM-UHFFFAOYSA-N 0 1 393.531 3.453 40 0 GGABMN O=S1(=O)c2ccccc2[C@]2(CCN(CC3CC3)C2)N1Cc1ccc(F)cc1 ZINC000096261957 570226272 /nfs/dbraw/zinc/22/62/72/570226272.db2.gz PUXLBQATTFYTJM-OAQYLSRUSA-N 0 1 386.492 3.341 40 0 GGABMN COc1ccc(S(=O)(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)cc1 ZINC000048287594 570227598 /nfs/dbraw/zinc/22/75/98/570227598.db2.gz YZZUQPKDEDLGCD-OAQYLSRUSA-N 0 1 388.533 3.447 40 0 GGABMN CN(C)[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)Cc1ccccc1 ZINC000048288127 570227958 /nfs/dbraw/zinc/22/79/58/570227958.db2.gz XBTHTPLNFHDSPK-MRXNPFEDSA-N 0 1 386.439 3.157 40 0 GGABMN O=C([O-])COc1ccc(C[N@H+]2CCC[C@@]3(C[C@@H](Oc4ccccc4)CO3)C2)cc1 ZINC000585261483 570228560 /nfs/dbraw/zinc/22/85/60/570228560.db2.gz GBIUFQDRTFXHAB-FYYLOGMGSA-N 0 1 397.471 3.353 40 0 GGABMN Cc1cc(O[C@H]2CN(Cc3ccc(OCCO)cc3)C[C@@H]2O)cc(C(C)C)c1 ZINC000585267851 570233522 /nfs/dbraw/zinc/23/35/22/570233522.db2.gz KANXNPXWXOGNDN-GOTSBHOMSA-N 0 1 385.504 3.114 40 0 GGABMN C[N@H+](Cc1ccc(OCCCN2CCCC2=O)cc1)C[C@H](O)c1ccccc1 ZINC000585270589 570239114 /nfs/dbraw/zinc/23/91/14/570239114.db2.gz MYJBQNPKKPJLMC-QFIPXVFZSA-N 0 1 382.504 3.243 40 0 GGABMN Cc1cc(C)cc(O[C@H]2CN(Cc3ccc(OCC(C)(C)O)cc3)C[C@@H]2O)c1 ZINC000585273507 570242115 /nfs/dbraw/zinc/24/21/15/570242115.db2.gz WEWXFVZGWMISKN-VXKWHMMOSA-N 0 1 385.504 3.077 40 0 GGABMN O[C@]1(COc2ccc(Cl)cc2)COCCN(Cc2ccc3[nH]ccc3c2)C1 ZINC000585273642 570242902 /nfs/dbraw/zinc/24/29/02/570242902.db2.gz QIIKNNHMXRTRDX-NRFANRHFSA-N 0 1 386.879 3.464 40 0 GGABMN COc1cccc([C@@H](CNC(=O)c2cc3c(c(Cl)c2)OCO3)N(C)C)c1 ZINC000053271287 570252370 /nfs/dbraw/zinc/25/23/70/570252370.db2.gz UPFWMNRFNWBEJG-MRXNPFEDSA-N 0 1 376.840 3.110 40 0 GGABMN OC[C@@H]1[C@H](O)[C@@H](c2ccc(Cl)cc2)CN1Cc1ccccc1Br ZINC000585292759 570261077 /nfs/dbraw/zinc/26/10/77/570261077.db2.gz NQOJQEGPZIPCLR-KBAYOESNSA-N 0 1 396.712 3.424 40 0 GGABMN CCCC(=O)N1CCCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)CC[N@H+](C(C)C)C3 ZINC000100234036 570269781 /nfs/dbraw/zinc/26/97/81/570269781.db2.gz AACCBJIEIINLPW-SFHVURJKSA-N 0 1 385.512 3.055 40 0 GGABMN CCc1cc(=O)n2[n-]c([C@H]3CC[N@@H+](Cc4ccc(OCCOC)cc4)C3)cc2n1 ZINC000100727506 570275366 /nfs/dbraw/zinc/27/53/66/570275366.db2.gz UUZNHPMIWDJXIC-KRWDZBQOSA-N 0 1 396.491 3.012 40 0 GGABMN CCc1n[nH]c(C(=O)N[C@@H](c2ccccn2)[C@H]2CC[C@H](CNC(C)=O)CC2)c1C ZINC000100750351 570276651 /nfs/dbraw/zinc/27/66/51/570276651.db2.gz COGLPHKLFHCZDR-LLGFUMIMSA-N 0 1 397.523 3.089 40 0 GGABMN COc1ccc(C[N@H+]2CCCC[C@H]2c2cc3nc(C)cc(=O)n3[n-]2)c(OC)c1 ZINC000100768884 570277391 /nfs/dbraw/zinc/27/73/91/570277391.db2.gz QFTQIJRFDLSOCY-SFHVURJKSA-N 0 1 382.464 3.488 40 0 GGABMN CCOC(=O)C1=C(CN(C)Cc2ccccc2F)NC(=O)N[C@@H]1c1ccccc1 ZINC000022060008 570303662 /nfs/dbraw/zinc/30/36/62/570303662.db2.gz UTQXWHOHNNOXLK-HXUWFJFHSA-N 0 1 397.450 3.129 40 0 GGABMN Cc1ccc(C[N@H+]2CCOC[C@@]3(C[C@@H](CNc4ncccc4F)CO3)C2)s1 ZINC000107795175 570311050 /nfs/dbraw/zinc/31/10/50/570311050.db2.gz SXLKXNLKTONBJP-OXJNMPFZSA-N 0 1 391.512 3.310 40 0 GGABMN C[C@H]1CCC[C@@H]1OC[C@H](O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000035093034 570312863 /nfs/dbraw/zinc/31/28/63/570312863.db2.gz AHDCFDWLNFOWQI-IPELMVKDSA-N 0 1 386.458 3.394 40 0 GGABMN O=C(Cc1cccc(C(F)(F)F)c1)NCC1(N2CCOCC2)CCCCC1 ZINC000022386333 570315669 /nfs/dbraw/zinc/31/56/69/570315669.db2.gz YTGRQJUCPLJLCE-UHFFFAOYSA-N 0 1 384.442 3.399 40 0 GGABMN CN1CCN(c2ccc([C@@H]3CCCN3C(=O)OCc3ccccc3)cn2)CC1 ZINC000072216517 570317404 /nfs/dbraw/zinc/31/74/04/570317404.db2.gz AUNIZPIRWHAZQJ-FQEVSTJZSA-N 0 1 380.492 3.307 40 0 GGABMN CCOC(=O)c1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)c(Cl)c1 ZINC000022510701 570318985 /nfs/dbraw/zinc/31/89/85/570318985.db2.gz DLLJEKQSRIBNPN-UHFFFAOYSA-N 0 1 396.852 3.141 40 0 GGABMN CC[C@@H](OC[C@H](O)CN1CCN(c2ccccc2OC)CC1)c1ccccc1 ZINC000023633536 570367174 /nfs/dbraw/zinc/36/71/74/570367174.db2.gz FFRDZDJIWDVYGO-IFMALSPDSA-N 0 1 384.520 3.346 40 0 GGABMN COc1c(F)c(F)c(C(=O)Nc2ccccc2N2CCN(C)CC2)c(F)c1F ZINC000408629283 570375310 /nfs/dbraw/zinc/37/53/10/570375310.db2.gz UZLDFUNMJQORCT-UHFFFAOYSA-N 0 1 397.372 3.256 40 0 GGABMN COc1cc(NC(=O)c2cc(-c3ccccc3)n[nH]2)c(C(=O)N(C)C)cc1OC ZINC000025218366 570408688 /nfs/dbraw/zinc/40/86/88/570408688.db2.gz AMXCREKZKGJGEV-UHFFFAOYSA-N 0 1 394.431 3.048 40 0 GGABMN COC(=O)c1ccc(NS(=O)(=O)c2cc3c(cc2OC)CCCC3)cc1 ZINC000222590222 570415763 /nfs/dbraw/zinc/41/57/63/570415763.db2.gz FSXFTYSKEVJGJU-UHFFFAOYSA-N 0 1 375.446 3.161 40 0 GGABMN CCOC(=O)C1(c2ccc(NS(=O)(=O)c3cc(C)ccc3OC)cc2)CC1 ZINC000222982439 570434833 /nfs/dbraw/zinc/43/48/33/570434833.db2.gz IZOIBLSFGCFHHG-UHFFFAOYSA-N 0 1 389.473 3.399 40 0 GGABMN Cc1ccc2nc(SCC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)[nH]c2c1 ZINC000006506501 570460026 /nfs/dbraw/zinc/46/00/26/570460026.db2.gz MVLZULOTEPAMHW-UHFFFAOYSA-N 0 1 398.444 3.083 40 0 GGABMN COC(=O)C1C(CN2C[C@H](C)C[C@@H](C)C2)=NC(=O)N[C@H]1c1ccc(C)cc1C ZINC000254734914 570485133 /nfs/dbraw/zinc/48/51/33/570485133.db2.gz ONLUHYGSYJISHX-SXGZJXTBSA-N 0 1 385.508 3.062 40 0 GGABMN Cc1ccc(NC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 ZINC000006623365 570506612 /nfs/dbraw/zinc/50/66/12/570506612.db2.gz MFWGGYPFCSKMKS-UHFFFAOYSA-N 0 1 383.433 3.230 40 0 GGABMN CCOC(=O)C1=C(CN2c3ccccc3C[C@@H]2C)NC(=O)N[C@H]1c1ccccc1 ZINC000001355887 570574598 /nfs/dbraw/zinc/57/45/98/570574598.db2.gz UOKGJHDMNLFHTN-BTYIYWSLSA-N 0 1 391.471 3.309 40 0 GGABMN COc1ccc2nc(S[C@@H](C)C(=O)NCc3ccc4c(c3)OCO4)[nH]c2c1 ZINC000004252414 570622745 /nfs/dbraw/zinc/62/27/45/570622745.db2.gz VEIVGLHALJDHHX-NSHDSACASA-N 0 1 385.445 3.097 40 0 GGABMN CCOc1ccc(NC(=O)CN2CCC(n3nnc4cc(C)ccc43)CC2)cc1 ZINC000004895333 570637005 /nfs/dbraw/zinc/63/70/05/570637005.db2.gz INOORPAMGQOFAK-UHFFFAOYSA-N 0 1 393.491 3.414 40 0 GGABMN O=C(Nc1ccc(N2CCOCC2)nc1)c1cn[nH]c1-c1ccc(Cl)cc1 ZINC000025009045 570663984 /nfs/dbraw/zinc/66/39/84/570663984.db2.gz ZQRGMJOWVNEFBU-UHFFFAOYSA-N 0 1 383.839 3.214 40 0 GGABMN Cc1nc2cc([C@@H]3CCN(CC(C)(C)C[NH+]4CCCCC4)C3)[n-]n2c(=O)c1C ZINC000012745627 570708355 /nfs/dbraw/zinc/70/83/55/570708355.db2.gz ODJHUILWONQHSY-GOSISDBHSA-N 0 1 385.556 3.353 40 0 GGABMN Cc1ccccc1[C@@H](C)NC(=O)CN1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000015044155 570722173 /nfs/dbraw/zinc/72/21/73/570722173.db2.gz ATEXKNHLASYCJB-QGZVFWFLSA-N 0 1 395.503 3.229 40 0 GGABMN COC(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)cc1 ZINC000006148484 570738274 /nfs/dbraw/zinc/73/82/74/570738274.db2.gz KFFPYWAAMPBDKD-UHFFFAOYSA-N 0 1 382.445 3.298 40 0 GGABMN CN1CCN(c2ccc(NC(=S)NC(=O)c3cccc(Cl)c3)cc2)CC1 ZINC000006288031 570740815 /nfs/dbraw/zinc/74/08/15/570740815.db2.gz ZVLDLKMLFNNRSD-UHFFFAOYSA-N 0 1 388.924 3.219 40 0 GGABMN O=c1ccc(-c2cccs2)nn1CC1(O)CCN(Cc2ccc(F)cc2)CC1 ZINC000013266488 570752090 /nfs/dbraw/zinc/75/20/90/570752090.db2.gz FJRNGINZUFWOEY-UHFFFAOYSA-N 0 1 399.491 3.138 40 0 GGABMN O=[N+]([O-])c1cc2c(cc1C=NNc1c(F)c(F)c(F)c(F)c1F)OCO2 ZINC000008344907 570768229 /nfs/dbraw/zinc/76/82/29/570768229.db2.gz SQOHFTGDWUXCJF-BIMFAAKUSA-N 0 1 375.209 3.465 40 0 GGABMN CCOc1ccccc1NS(=O)(=O)c1ccc(OC)c(C(=O)NC(C)C)c1 ZINC000013678266 570772605 /nfs/dbraw/zinc/77/26/05/570772605.db2.gz PFLCLBILPAGCLK-UHFFFAOYSA-N 0 1 392.477 3.033 40 0 GGABMN CCOC(=O)c1c2c(sc1NC(=O)CSc1n[nH]c(CC)n1)CCCC2 ZINC000011712096 570798703 /nfs/dbraw/zinc/79/87/03/570798703.db2.gz DKXAMODMKISCLH-UHFFFAOYSA-N 0 1 394.522 3.215 40 0 GGABMN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc(CC)n[nH]1)CCCC2 ZINC000011712096 570798704 /nfs/dbraw/zinc/79/87/04/570798704.db2.gz DKXAMODMKISCLH-UHFFFAOYSA-N 0 1 394.522 3.215 40 0 GGABMN COCC[N@H+]1CCc2nc(SCc3cccc(C(F)(F)F)c3)[nH]c(=O)c2C1 ZINC000033141649 570827770 /nfs/dbraw/zinc/82/77/70/570827770.db2.gz LFEKBCRMQSGRIF-UHFFFAOYSA-N 0 1 399.438 3.498 40 0 GGABMN NC(=O)Nc1cccc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000007492204 570854395 /nfs/dbraw/zinc/85/43/95/570854395.db2.gz RPMAKQGYCRADBN-UHFFFAOYSA-N 0 1 386.883 3.225 40 0 GGABMN CCc1n[nH]c(C(=O)N[C@@H](c2ccccn2)[C@H]2CC[C@H](CNC(C)=O)CC2)c1C ZINC000257215002 570888289 /nfs/dbraw/zinc/88/82/89/570888289.db2.gz COGLPHKLFHCZDR-CBGDNZLLSA-N 0 1 397.523 3.089 40 0 GGABMN Cc1noc(C)c1CN1CCOC[C@]2(CC(=O)N([C@@H](C)c3ccccc3)C2)C1 ZINC000585104044 570930140 /nfs/dbraw/zinc/93/01/40/570930140.db2.gz IGLVYDQRMDYHME-HTAPYJJXSA-N 0 1 383.492 3.104 40 0 GGABMN COc1cccc2cc(C(=O)N3CCC[C@]4(CCN4C[C@H]4CCCO4)C3)oc21 ZINC000585102342 570930477 /nfs/dbraw/zinc/93/04/77/570930477.db2.gz XJPRYEQKSNXINP-VGSWGCGISA-N 0 1 384.476 3.301 40 0 GGABMN COc1ccc(CN2CCOC[C@@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)cc1 ZINC000585104505 570933070 /nfs/dbraw/zinc/93/30/70/570933070.db2.gz OOLNRJNBYRPECI-QFIPXVFZSA-N 0 1 384.451 3.090 40 0 GGABMN COc1cccc(CCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1OC ZINC000024595806 570933456 /nfs/dbraw/zinc/93/34/56/570933456.db2.gz CSYFTGUBAYCAAA-UHFFFAOYSA-N 0 1 383.492 3.027 40 0 GGABMN CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000192962168 570934154 /nfs/dbraw/zinc/93/41/54/570934154.db2.gz KZBCLYDYQFXTKQ-UHFFFAOYSA-N 0 1 381.457 3.296 40 0 GGABMN O=C(CC1CCOCC1)N[C@@H]1c2ccccc2[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000585109671 570938077 /nfs/dbraw/zinc/93/80/77/570938077.db2.gz IASWOXXDJBWLMC-WPFOTENUSA-N 0 1 391.515 3.285 40 0 GGABMN Cc1cc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]32)no1 ZINC000585109759 570938221 /nfs/dbraw/zinc/93/82/21/570938221.db2.gz PVNGBCAZXGEGCC-TXPKVOOTSA-N 0 1 380.473 3.140 40 0 GGABMN Cc1cc(C(=O)N[C@@H]2c3ccccc3[C@@H]3CN(Cc4nccs4)C[C@@H]32)no1 ZINC000585109759 570938228 /nfs/dbraw/zinc/93/82/28/570938228.db2.gz PVNGBCAZXGEGCC-TXPKVOOTSA-N 0 1 380.473 3.140 40 0 GGABMN O=C(C1CC1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCCC1)C2 ZINC000019014862 570954141 /nfs/dbraw/zinc/95/41/41/570954141.db2.gz HUPWNLLGTWCWLX-LJQANCHMSA-N 0 1 384.524 3.337 40 0 GGABMN CC(=O)N1CCc2nc([C@H]3CCCN(Cc4cccc(Cl)c4)C3)ncc2C1 ZINC000019018396 570954911 /nfs/dbraw/zinc/95/49/11/570954911.db2.gz LLYFBCZNEDIFKC-KRWDZBQOSA-N 0 1 384.911 3.414 40 0 GGABMN CC(=O)N1CCc2nc(C3CCN(Cc4ccccc4Cl)CC3)ncc2C1 ZINC000019018895 570954932 /nfs/dbraw/zinc/95/49/32/570954932.db2.gz HTZRXNARPGMHMR-UHFFFAOYSA-N 0 1 384.911 3.414 40 0 GGABMN COc1ccc([C@@H]2c3[nH]cnc3CCN2C(=O)[C@@H](C)Oc2cccc(F)c2)cc1 ZINC000019079496 570955835 /nfs/dbraw/zinc/95/58/35/570955835.db2.gz AJEBQROMRCFOLL-SPLOXXLWSA-N 0 1 395.434 3.499 40 0 GGABMN COc1ccc([C@@H]2c3[nH]cnc3CCN2C(=O)[C@H](C)Oc2ccccc2F)cc1 ZINC000019079514 570955904 /nfs/dbraw/zinc/95/59/04/570955904.db2.gz GJOAUNXQWCUCMD-LHSJRXKWSA-N 0 1 395.434 3.499 40 0 GGABMN CC(C)C(=O)N1CCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@H+](C1CCCC1)CC3 ZINC000019085588 570956587 /nfs/dbraw/zinc/95/65/87/570956587.db2.gz LQCDTCCMWPRWDX-LJQANCHMSA-N 0 1 397.523 3.055 40 0 GGABMN COc1cc(C)ccc1C[N@H+]1CC[C@H](c2cc(=O)[nH]c(-c3ccccn3)n2)C1 ZINC000019133876 570958286 /nfs/dbraw/zinc/95/82/86/570958286.db2.gz ZMXSPPAKGPQXPA-INIZCTEOSA-N 0 1 376.460 3.138 40 0 GGABMN COc1cc(C)ccc1C[N@@H+]1CC[C@H](c2cc(=O)[n-]c(-c3ccccn3)n2)C1 ZINC000019133876 570958289 /nfs/dbraw/zinc/95/82/89/570958289.db2.gz ZMXSPPAKGPQXPA-INIZCTEOSA-N 0 1 376.460 3.138 40 0 GGABMN Cc1ccc(CN2CCN(c3ccccc3[C@H](O)c3nccn3C)CC2)cc1 ZINC000019210315 570960367 /nfs/dbraw/zinc/96/03/67/570960367.db2.gz GKHCCEQKYKKVHM-QFIPXVFZSA-N 0 1 376.504 3.132 40 0 GGABMN O=C(CCCC1=Nc2ccccc2S(=O)(=O)N1)OCc1ccc(F)cc1 ZINC000004148373 570964792 /nfs/dbraw/zinc/96/47/92/570964792.db2.gz ACHXCTICASVUBW-UHFFFAOYSA-N 0 1 376.409 3.061 40 0 GGABMN Cc1cccc(N2CCN(C[C@H](O)c3ccc4c(c3)OCCCO4)CC2)c1C ZINC000019235640 570965981 /nfs/dbraw/zinc/96/59/81/570965981.db2.gz GBJOPRVACNKJIO-NRFANRHFSA-N 0 1 382.504 3.320 40 0 GGABMN CN(C)Cc1cc(-c2ccc(CNC(=O)Cc3ccc(F)cc3)cc2)nn1C ZINC000019288872 570971025 /nfs/dbraw/zinc/97/10/25/570971025.db2.gz OJUAFDXIGIVXPJ-UHFFFAOYSA-N 0 1 380.467 3.147 40 0 GGABMN COc1ccc(CC(=O)NCc2ccc(-c3cc(CN(C)C)n(C)n3)cc2)cc1 ZINC000019288873 570971037 /nfs/dbraw/zinc/97/10/37/570971037.db2.gz OJBSLKBKPIUBEF-UHFFFAOYSA-N 0 1 392.503 3.016 40 0 GGABMN CN(C)Cc1cc(-c2ccc(CNC(=O)Cc3cccc(F)c3)cc2)nn1C ZINC000019288874 570971064 /nfs/dbraw/zinc/97/10/64/570971064.db2.gz NWFZOSZAHLFYKY-UHFFFAOYSA-N 0 1 380.467 3.147 40 0 GGABMN Cn1cc(CN2[C@@H]3CC[C@H]2Cc2nc(N4CCOCC4)ncc23)c2ccccc21 ZINC000019290439 570972011 /nfs/dbraw/zinc/97/20/11/570972011.db2.gz LKHAKOVBVHUAQN-HTAPYJJXSA-N 0 1 389.503 3.067 40 0 GGABMN O=C(c1cc2c(s1)CCCC2)N1CCc2nc([C@@H]3CCCCN3)ncc2C1 ZINC000019292479 570972789 /nfs/dbraw/zinc/97/27/89/570972789.db2.gz YQVKGQOMIZEVKA-KRWDZBQOSA-N 0 1 382.533 3.430 40 0 GGABMN Cc1cc(C[C@H](C)NC(=O)C(=O)Nc2cccc(Oc3ccccc3)c2)n[nH]1 ZINC000130599700 570973425 /nfs/dbraw/zinc/97/34/25/570973425.db2.gz ZOCDQVJCNXVFNH-AWEZNQCLSA-N 0 1 378.432 3.196 40 0 GGABMN O=C(CN1CCCCC1)N1C[C@H](c2csnn2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000019336299 570975999 /nfs/dbraw/zinc/97/59/99/570975999.db2.gz ADCMBZDOUQAAGG-SJORKVTESA-N 0 1 390.940 3.387 40 0 GGABMN Fc1ccc(Oc2nc(N3CCCC3)nc3c2CN(C[C@H]2CCOC2)CC3)cc1 ZINC000019336052 570976047 /nfs/dbraw/zinc/97/60/47/570976047.db2.gz PNMIREYQFOMUKG-MRXNPFEDSA-N 0 1 398.482 3.403 40 0 GGABMN O=C(NCCc1nc(-c2cccnc2)n[nH]1)C1(c2ccc(F)cc2)CCCC1 ZINC000019340819 570977007 /nfs/dbraw/zinc/97/70/07/570977007.db2.gz UFCZYDQJDUNVSV-UHFFFAOYSA-N 0 1 379.439 3.177 40 0 GGABMN O=C(NCCc1n[nH]c(-c2cccnc2)n1)C1(c2ccc(F)cc2)CCCC1 ZINC000019340819 570977011 /nfs/dbraw/zinc/97/70/11/570977011.db2.gz UFCZYDQJDUNVSV-UHFFFAOYSA-N 0 1 379.439 3.177 40 0 GGABMN CC1CCN(c2ncc(CN3CCC(COc4ccccn4)CC3)cn2)CC1 ZINC000019497087 570989798 /nfs/dbraw/zinc/98/97/98/570989798.db2.gz ZOBYPXMSCHESAO-UHFFFAOYSA-N 0 1 381.524 3.399 40 0 GGABMN CC[C@H](Oc1ccccc1F)C(=O)N1CCc2nc([C@H]3CCCCN3)ncc2C1 ZINC000019499433 570991974 /nfs/dbraw/zinc/99/19/74/570991974.db2.gz QXFYMNZUBAEAAE-MOPGFXCFSA-N 0 1 398.482 3.173 40 0 GGABMN CCn1c(CNC(=O)COCc2nc3ccc(C)cc3[nH]2)nc2ccccc21 ZINC000019524353 570996399 /nfs/dbraw/zinc/99/63/99/570996399.db2.gz 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COc1ccc(CN2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c(F)c1 ZINC000019551761 571001490 /nfs/dbraw/zinc/00/14/90/571001490.db2.gz ZHSDTMYDZGBSKJ-RRQGHBQHSA-N 0 1 395.429 3.328 40 0 GGABMN COc1ccc(CN2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c(F)c1 ZINC000019551759 571001612 /nfs/dbraw/zinc/00/16/12/571001612.db2.gz ZHSDTMYDZGBSKJ-XOKHGSTOSA-N 0 1 395.429 3.328 40 0 GGABMN COc1ccc(CN2CC[C@@]3(C2)CCc2ccccc2C(=O)N3)c(OC)c1OC ZINC000019552751 571001915 /nfs/dbraw/zinc/00/19/15/571001915.db2.gz ICASIBHAISCGRN-HSZRJFAPSA-N 0 1 396.487 3.033 40 0 GGABMN Cc1c(CN2CCC[C@@H](c3cc(C(=O)NC4CCCCC4)on3)C2)cnn1C ZINC000019553666 571001969 /nfs/dbraw/zinc/00/19/69/571001969.db2.gz SVUKUNRABGEMLK-MRXNPFEDSA-N 0 1 385.512 3.159 40 0 GGABMN Cc1c(CN2CCC[C@H](c3cc(C(=O)NC4CCCCC4)on3)C2)cnn1C ZINC000019553669 571002495 /nfs/dbraw/zinc/00/24/95/571002495.db2.gz SVUKUNRABGEMLK-INIZCTEOSA-N 0 1 385.512 3.159 40 0 GGABMN Cc1c(-c2ccccc2)n[nH]c1C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000019555168 571002922 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GGABMN COc1ncccc1CN1CC[C@]2(C1)Cn1c(-c3ccc(C)cc3)cnc1CO2 ZINC000306135797 209103700 /nfs/dbraw/zinc/10/37/00/209103700.db2.gz PBEVHHRRERNZAZ-QHCPKHFHSA-N 0 1 390.487 3.437 40 0 GGABMN Cc1nc(COCC[C@H]2CN(CC3CCOCC3)Cc3ccnn32)cs1 ZINC000306133624 209100906 /nfs/dbraw/zinc/10/09/06/209100906.db2.gz MRHPENYTSGZOJK-IBGZPJMESA-N 0 1 376.526 3.038 40 0 GGABMN Cc1cccc(C(=O)N2CC3(C2)C[C@@H](COCc2ccncc2)CCN3C)c1 ZINC000306129233 209098911 /nfs/dbraw/zinc/09/89/11/209098911.db2.gz HYBBLLNVCPWKCX-FQEVSTJZSA-N 0 1 379.504 3.143 40 0 GGABMN COc1ccc(-c2cnc3n2C[C@@]2(CCN(Cc4ccccn4)C2)OC3)cc1 ZINC000306127974 209098676 /nfs/dbraw/zinc/09/86/76/209098676.db2.gz GMNUPQRJUVORGM-QFIPXVFZSA-N 0 1 376.460 3.129 40 0 GGABMN Cn1cc(CN2CCC(c3nnc4ccc(-c5ccccc5F)nn43)CC2)cn1 ZINC000306124406 209098180 /nfs/dbraw/zinc/09/81/80/209098180.db2.gz BOZSSKGCQKFJOR-UHFFFAOYSA-N 0 1 391.454 3.044 40 0 GGABMN O=C(c1ccsc1)N1C[C@]2(CCN(Cc3cccnc3)C2)c2ncccc21 ZINC000306130292 209100046 /nfs/dbraw/zinc/10/00/46/209100046.db2.gz 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O=C([O-])c1ccc(C[N@@H+]2C[C@@H](F)[C@@H](OCc3nc4cc(F)ccc4[nH]3)C2)cc1 ZINC000096112216 209008705 /nfs/dbraw/zinc/00/87/05/209008705.db2.gz QEXLZDITYIUFNM-QAPCUYQASA-N 0 1 387.386 3.139 40 0 biogenic,in-vitro GGABMN O=C([O-])c1ccc(C[N@H+]2C[C@@H](F)[C@@H](OCc3nc4cc(F)ccc4[nH]3)C2)cc1 ZINC000096112216 209008708 /nfs/dbraw/zinc/00/87/08/209008708.db2.gz QEXLZDITYIUFNM-QAPCUYQASA-N 0 1 387.386 3.139 40 0 biogenic,in-vitro GGABMN O=C(c1ccc(F)cc1)N1C[C@@H](F)[C@@H](OCc2nc3ccc(F)cc3[nH]2)C1 ZINC000096112038 209009435 /nfs/dbraw/zinc/00/94/35/209009435.db2.gz ITHXGQVJRCBZSH-PBHICJAKSA-N 0 1 375.350 3.220 40 0 biogenic,in-vitro GGABMN O=C1N(CCc2ccccc2)CC=CC[C@@]12CN(CCc1ccccc1)CCO2 ZINC000257262259 209061768 /nfs/dbraw/zinc/06/17/68/209061768.db2.gz LKSSWHQUCVCITP-RUZDIDTESA-N 0 1 390.527 3.331 40 0 GGABMN CNC(=O)c1sc2nc([C@H]3CCCN3Cc3cccc(C)n3)ccc2c1N ZINC000257210504 209056297 /nfs/dbraw/zinc/05/62/97/209056297.db2.gz BUXYODJACRVPIR-MRXNPFEDSA-N 0 1 381.505 3.279 40 0 GGABMN COc1cccc2c1OC1(CCN(Cc3cnn(C)c3)CC1)[C@H]1CCCO[C@H]21 ZINC000257263454 209061095 /nfs/dbraw/zinc/06/10/95/209061095.db2.gz LPZIMIDEWXNMGI-AZUAARDMSA-N 0 1 383.492 3.324 40 0 GGABMN COc1cccc(-c2cc(C(=O)N3CCC[C@@]4(C)[C@H]3CCCN4C(C)=O)n[nH]2)c1 ZINC000257263012 209062604 /nfs/dbraw/zinc/06/26/04/209062604.db2.gz LNZMMGQXWXWIOM-IRLDBZIGSA-N 0 1 396.491 3.091 40 0 GGABMN CN(C)C(=O)c1sc2nc([C@@H]3CCCN3Cc3ccccn3)ccc2c1N ZINC000257266603 209063730 /nfs/dbraw/zinc/06/37/30/209063730.db2.gz MDRLDEPGUDPPHY-INIZCTEOSA-N 0 1 381.505 3.312 40 0 GGABMN O=C([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@H]2c2cc(CCO)n[nH]2)o1 ZINC000257269216 209064153 /nfs/dbraw/zinc/06/41/53/209064153.db2.gz MPAYYDFYRSVYNH-IBGZPJMESA-N 0 1 381.432 3.240 40 0 GGABMN O=C([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]2c2cc(CCO)n[nH]2)o1 ZINC000257269216 209064154 /nfs/dbraw/zinc/06/41/54/209064154.db2.gz MPAYYDFYRSVYNH-IBGZPJMESA-N 0 1 381.432 3.240 40 0 GGABMN C[C@]1(c2ncc(Cc3ccccc3F)o2)CCCN(C(=O)CN2CCCC2)C1 ZINC000257266088 209064664 /nfs/dbraw/zinc/06/46/64/209064664.db2.gz MBMFIKBJHGOSNK-QFIPXVFZSA-N 0 1 385.483 3.380 40 0 GGABMN CC1(C)Oc2c(O)cccc2[C@H]2O[C@H]3CCC[N@@H+](CCCC(=O)[O-])[C@H]3C[C@@H]21 ZINC000257269794 209065184 /nfs/dbraw/zinc/06/51/84/209065184.db2.gz MRJRBSBIRVPHML-RIVXBTQJSA-N 0 1 375.465 3.339 40 0 GGABMN COc1ccc(Cc2cnc([C@H]3CCCN(C(=O)CN4CCCCC4)C3)o2)cc1 ZINC000257275635 209067095 /nfs/dbraw/zinc/06/70/95/209067095.db2.gz NQFADZGZFOYYIH-IBGZPJMESA-N 0 1 397.519 3.466 40 0 GGABMN CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000257305371 209072226 /nfs/dbraw/zinc/07/22/26/209072226.db2.gz SPRQTMJKTCLIDY-QRXQEZHUSA-N 0 1 396.466 3.220 40 0 GGABMN CCn1ncc(CN2CCO[C@@H](c3cc(CCOc4ccccc4)[nH]n3)C2)c1C ZINC000257306151 209072523 /nfs/dbraw/zinc/07/25/23/209072523.db2.gz STDMCRVCZIKMGT-JOCHJYFZSA-N 0 1 395.507 3.130 40 0 GGABMN Cc1cc(C)nc(N2CCO[C@H](c3cc(CCOc4cccc(F)c4)[nH]n3)C2)n1 ZINC000257311488 209072558 /nfs/dbraw/zinc/07/25/58/209072558.db2.gz 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ZINC000257312188 209075083 /nfs/dbraw/zinc/07/50/83/209075083.db2.gz UMUDLTVCYYUMAL-INIZCTEOSA-N 0 1 377.448 3.020 40 0 GGABMN CC1CCN(C(=O)CN2CCC(c3cccc(Nc4cnccn4)n3)CC2)CC1 ZINC000257336209 209078855 /nfs/dbraw/zinc/07/88/55/209078855.db2.gz YNNYTVRCQVALEE-UHFFFAOYSA-N 0 1 394.523 3.053 40 0 GGABMN COc1ccccc1-c1cc(C(=O)N2C[C@@H](C)N(Cc3ccco3)C[C@H]2C)n[nH]1 ZINC000072324223 222227776 /nfs/dbraw/zinc/22/77/76/222227776.db2.gz FLFMAYIZRWYQJQ-HZPDHXFCSA-N 0 1 394.475 3.413 40 0 GGABMN Cc1ncc(CN2CCC3(CC2)Nc2cc(Cl)ccc2C2=NCCCN23)cn1 ZINC000072342677 222231017 /nfs/dbraw/zinc/23/10/17/222231017.db2.gz UNQPPGLXLAMXTE-UHFFFAOYSA-N 0 1 396.926 3.309 40 0 GGABMN CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCCN(Cc2ccncc2)C1 ZINC000072344793 222232606 /nfs/dbraw/zinc/23/26/06/222232606.db2.gz UOYGBSATXOPJSE-HXUWFJFHSA-N 0 1 389.503 3.457 40 0 GGABMN Cc1nc(=O)c2ccccc2n1C1=CCN(Cc2cccc3nccnc23)CC1 ZINC000072348318 222234861 /nfs/dbraw/zinc/23/48/61/222234861.db2.gz ZOORBYDPCLRAGP-UHFFFAOYSA-N 0 1 383.455 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ZINC000585261484 570228400 /nfs/dbraw/zinc/22/84/00/570228400.db2.gz HUKWPRHCKCUTOK-YPAWHYETSA-N 0 1 380.488 3.313 40 0 GGABMN COc1ccc([C@H]2C[NH+](C)[C@@H]3CC[N@@H+](Cc4ccccc4C(=O)[O-])C[C@@H]32)cc1 ZINC000585261484 570228405 /nfs/dbraw/zinc/22/84/05/570228405.db2.gz HUKWPRHCKCUTOK-YPAWHYETSA-N 0 1 380.488 3.313 40 0 GGABMN COc1ccc([C@H]2C[N@H+](C)[C@@H]3CCN(Cc4ccccc4C(=O)[O-])C[C@@H]32)cc1 ZINC000585261484 570228408 /nfs/dbraw/zinc/22/84/08/570228408.db2.gz HUKWPRHCKCUTOK-YPAWHYETSA-N 0 1 380.488 3.313 40 0 GGABMN COc1ccc([C@H]2C[N@@H+](C)[C@@H]3CCN(Cc4ccccc4C(=O)[O-])C[C@@H]32)cc1 ZINC000585261484 570228411 /nfs/dbraw/zinc/22/84/11/570228411.db2.gz HUKWPRHCKCUTOK-YPAWHYETSA-N 0 1 380.488 3.313 40 0 GGABMN COc1ccc([C@H]2CN(C)[C@@H]3CC[N@H+](Cc4ccccc4C(=O)[O-])C[C@@H]32)cc1 ZINC000585261484 570228415 /nfs/dbraw/zinc/22/84/15/570228415.db2.gz HUKWPRHCKCUTOK-YPAWHYETSA-N 0 1 380.488 3.313 40 0 GGABMN COc1ccc([C@H]2CN(C)[C@@H]3CC[N@@H+](Cc4ccccc4C(=O)[O-])C[C@@H]32)cc1 ZINC000585261484 570228418 /nfs/dbraw/zinc/22/84/18/570228418.db2.gz HUKWPRHCKCUTOK-YPAWHYETSA-N 0 1 380.488 3.313 40 0 GGABMN O[C@@]1(COc2ccc(Cl)cc2)COCCN(Cc2ccc3[nH]ccc3c2)C1 ZINC000585273649 570242987 /nfs/dbraw/zinc/24/29/87/570242987.db2.gz QIIKNNHMXRTRDX-OAQYLSRUSA-N 0 1 386.879 3.464 40 0 GGABMN O[C@@]1(COc2cccc(Cl)c2)COCCN(Cc2ccc3[nH]ccc3c2)C1 ZINC000585274103 570243300 /nfs/dbraw/zinc/24/33/00/570243300.db2.gz RKTPBVGVYXLCNE-OAQYLSRUSA-N 0 1 386.879 3.464 40 0 GGABMN O=c1c2cc(Br)ccc2nc2n1CCN(Cc1ccccc1)CC2 ZINC000585284056 570252263 /nfs/dbraw/zinc/25/22/63/570252263.db2.gz RAQVGWWYQAGILG-UHFFFAOYSA-N 0 1 384.277 3.217 40 0 GGABMN O[C@H]1[C@H](Oc2ccc(Cl)cc2)CCC[C@@H]1N1CCN(c2ccccn2)CC1 ZINC000585290050 570257719 /nfs/dbraw/zinc/25/77/19/570257719.db2.gz QRGOWNKPXNGFAS-QKNQBKEWSA-N 0 1 387.911 3.218 40 0 GGABMN FC(F)(F)c1nc(-c2cccc([C@H]3CCCN(Cc4cncnc4)C3)n2)no1 ZINC000585289889 570257854 /nfs/dbraw/zinc/25/78/54/570257854.db2.gz MKCCEOCWARFWHR-ZDUSSCGKSA-N 0 1 390.369 3.320 40 0 GGABMN 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endogenous,world GGABMN Cc1nc(C)c(CN2CCOC[C@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)s1 ZINC000585104180 570930115 /nfs/dbraw/zinc/93/01/15/570930115.db2.gz KCIJPMPDSSPPTJ-HXUWFJFHSA-N 0 1 389.496 3.155 40 0 GGABMN Cc1nc(C)c(CN2CCOC[C@@]3(CC(=O)N(Cc4ccccc4)C3)C2)s1 ZINC000585104162 570930145 /nfs/dbraw/zinc/93/01/45/570930145.db2.gz JTMOESUHXDVSBY-NRFANRHFSA-N 0 1 385.533 3.011 40 0 GGABMN CN(Cc1cccnc1)C[C@H]1CC2(CO1)CCN(C(=O)c1ccccc1)CC2 ZINC000585104616 570933694 /nfs/dbraw/zinc/93/36/94/570933694.db2.gz RTAVEEZUTJOMSP-OAQYLSRUSA-N 0 1 379.504 3.225 40 0 GGABMN CN1Cc2cccc(-c3n[nH]c4c3CCN(C(=O)c3ccc(F)cc3)CC4)c2C1 ZINC000585110341 570939456 /nfs/dbraw/zinc/93/94/56/570939456.db2.gz HKTWLVFOZXKERH-UHFFFAOYSA-N 0 1 390.462 3.402 40 0 GGABMN COc1ccc(OC)c([C@H]2NC(=S)NC(C)=C2C(=O)O[C@@H]2CCC[C@@H]2C)c1 ZINC000004141510 570967039 /nfs/dbraw/zinc/96/70/39/570967039.db2.gz RZDOTCZXBHELGP-BKGUAONASA-N 0 1 390.505 3.228 40 0 GGABMN Cc1cccc(N2C[C@H](C(=O)NC[C@@H](c3ccco3)N3CCCC3)CC2=O)c1C ZINC000027333331 570993957 /nfs/dbraw/zinc/99/39/57/570993957.db2.gz HTJSJZXBYQJTDT-QUCCMNQESA-N 0 1 395.503 3.203 40 0 GGABMN CN(C)C(=O)c1cnn2c1nccc2[C@@H]1CCCN1Cc1ccc2cc[nH]c2c1 ZINC000585177396 570999766 /nfs/dbraw/zinc/99/97/66/570999766.db2.gz XGPMXEUQNQJJQV-IBGZPJMESA-N 0 1 388.475 3.250 40 0 GGABMN CCCN1CC[N@@H+](CC(=O)[O-])C[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000585183601 571000781 /nfs/dbraw/zinc/00/07/81/571000781.db2.gz MJNVMXUQCIFTIV-NRFANRHFSA-N 0 1 380.488 3.151 40 0 GGABMN CCCN1CC[N@@H+](CC(=O)[O-])C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000585183650 571001058 /nfs/dbraw/zinc/00/10/58/571001058.db2.gz ZCEOLHUBXQMCBX-LJQANCHMSA-N 0 1 398.478 3.290 40 0 GGABMN CCNC(=O)N1Cc2[nH]cnc2C[C@H]1c1nc(-c2ccc(F)c(Cl)c2)no1 ZINC000020464525 575366820 /nfs/dbraw/zinc/36/68/20/575366820.db2.gz QSSMVAATJSHKAH-AWEZNQCLSA-N 0 1 390.806 3.081 40 0 biogenic,in-vitro GGABMN CCN1C(=O)CC(C)(C)c2cc(S(=O)(=O)Nc3ncc(C)s3)ccc21 ZINC000096183056 655030503 /nfs/dbraw/zinc/03/05/03/655030503.db2.gz DKMHSARSRWSXOL-UHFFFAOYSA-N 0 1 379.507 3.287 40 0 GGABMN COc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(NC(C)=O)cc3)n2)cc1 ZINC000006154780 1398535714 /nfs/dbraw/zinc/53/57/14/1398535714.db2.gz CRRHQQQZXIOXHM-UHFFFAOYSA-N 0 1 397.460 3.170 40 0 GGABMN CN1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(Cl)cc2)CC1 ZINC000006247596 1398539193 /nfs/dbraw/zinc/53/91/93/1398539193.db2.gz GMDHTHKAIWKLAU-UHFFFAOYSA-N 0 1 388.924 3.219 40 0 GGABMN CC[C@@H](C)Oc1c(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cccc1OC ZINC000006357662 1398545363 /nfs/dbraw/zinc/54/53/63/1398545363.db2.gz QBFUNYHPPPVEJN-KWWJGWKXSA-N 0 1 398.415 3.128 40 0 GGABMN CC[C@H](C)Oc1c(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cccc1OC ZINC000006358350 1398545514 /nfs/dbraw/zinc/54/55/14/1398545514.db2.gz QBFUNYHPPPVEJN-XDUBLRSXSA-N 0 1 398.415 3.128 40 0 GGABMN COc1cc(OC)cc(-c2n[nH]c(Sc3ccc([N+](=O)[O-])cc3C=O)n2)c1 ZINC000006380620 1398547529 /nfs/dbraw/zinc/54/75/29/1398547529.db2.gz ONPXQGVJUDPOEO-UHFFFAOYSA-N 0 1 386.389 3.361 40 0 GGABMN CCOc1cccc(/C=N/c2sc3c(c2C#N)CC[N@@H+](C)C3)c1OCC(=O)[O-] ZINC000006965013 1398578124 /nfs/dbraw/zinc/57/81/24/1398578124.db2.gz MZFBONKTPCKGDZ-LSHDLFTRSA-N 0 1 399.472 3.220 40 0 GGABMN CCOc1cccc(/C=N/c2sc3c(c2C#N)CC[N@H+](C)C3)c1OCC(=O)[O-] ZINC000006965013 1398578135 /nfs/dbraw/zinc/57/81/35/1398578135.db2.gz MZFBONKTPCKGDZ-LSHDLFTRSA-N 0 1 399.472 3.220 40 0 GGABMN Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)c1 ZINC000007495308 1398690323 /nfs/dbraw/zinc/69/03/23/1398690323.db2.gz FUTUVECYKYNUNV-QGOAFFKASA-N 0 1 377.444 3.499 40 0 GGABMN COc1ccc(NC(=O)CSc2nc(-c3cccc(NC(C)=O)c3)n[nH]2)cc1 ZINC000007605013 1398712215 /nfs/dbraw/zinc/71/22/15/1398712215.db2.gz IUSCYMRZOGWUJW-UHFFFAOYSA-N 0 1 397.460 3.170 40 0 GGABMN COc1ccc(C(=O)CSc2nc(-c3cccc(NC(C)=O)c3)n[nH]2)cc1 ZINC000007604976 1398712619 /nfs/dbraw/zinc/71/26/19/1398712619.db2.gz HLKCUWAQQMKLKD-UHFFFAOYSA-N 0 1 382.445 3.414 40 0 GGABMN CC(=O)Nc1cccc(-c2n[nH]c(SCC(=O)Nc3ccccc3F)n2)c1 ZINC000007610291 1398712960 /nfs/dbraw/zinc/71/29/60/1398712960.db2.gz OFYXRWJBKPNAJY-UHFFFAOYSA-N 0 1 385.424 3.300 40 0 GGABMN CC(=O)Nc1ccc(-c2n[nH]c(SCC(=O)Nc3ccccc3F)n2)cc1 ZINC000007610288 1398713021 /nfs/dbraw/zinc/71/30/21/1398713021.db2.gz WJEYQNWUQKFXJU-UHFFFAOYSA-N 0 1 385.424 3.300 40 0 GGABMN CCN1CCN(c2ccccc2NC(=O)[C@H](C)Oc2ccc(C(C)=O)cc2)CC1 ZINC000008025214 1398793270 /nfs/dbraw/zinc/79/32/70/1398793270.db2.gz MOVLZKZNDXXPDO-SFHVURJKSA-N 0 1 395.503 3.437 40 0 GGABMN CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2OC)ccc1OC ZINC000008033603 1398794635 /nfs/dbraw/zinc/79/46/35/1398794635.db2.gz WIKQNVDIUFPWFZ-UHFFFAOYSA-N 0 1 380.422 3.073 40 0 GGABMN COc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c1O ZINC000008108755 1398804980 /nfs/dbraw/zinc/80/49/80/1398804980.db2.gz LQUNVCXWYHPZEU-NTUHNPAUSA-N 0 1 389.751 3.060 40 0 GGABMN CCOC(=O)c1cccc(NC(=O)CSc2nc(-c3ccccc3)n[nH]2)c1 ZINC000008391656 1398828188 /nfs/dbraw/zinc/82/81/88/1398828188.db2.gz IZDRZDDKILZSFI-UHFFFAOYSA-N 0 1 382.445 3.379 40 0 GGABMN CC(=O)N[C@H](CC(=O)NC[C@H](c1ccco1)N1CCCCC1)c1ccccc1 ZINC000008393971 1398828233 /nfs/dbraw/zinc/82/82/33/1398828233.db2.gz NNMSSRILSIHDNQ-WOJBJXKFSA-N 0 1 383.492 3.190 40 0 GGABMN CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OC ZINC000008477253 1398833523 /nfs/dbraw/zinc/83/35/23/1398833523.db2.gz MCTKQHNBSYGJNK-MDWZMJQESA-N 0 1 392.839 3.152 40 0 GGABMN CCOc1cc(Cl)c(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OC ZINC000008477342 1398833743 /nfs/dbraw/zinc/83/37/43/1398833743.db2.gz MPMAAYWSFIUHQU-MDWZMJQESA-N 0 1 392.839 3.152 40 0 GGABMN N#Cc1ccccc1-c1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)o1 ZINC000008477498 1398833764 /nfs/dbraw/zinc/83/37/64/1398833764.db2.gz BZFOOLMUYUDUBO-GZTJUZNOSA-N 0 1 375.384 3.223 40 0 GGABMN CC(C)NC(=O)OC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(-c2ccccc2)nn1C ZINC000008635295 1398842627 /nfs/dbraw/zinc/84/26/27/1398842627.db2.gz AYEPZVLFDVMBNI-OTWHNJEPSA-N 0 1 382.508 3.400 40 0 biogenic,in-vitro GGABMN CC1(C)Cc2cc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)ccc2O1 ZINC000010299126 1398885398 /nfs/dbraw/zinc/88/53/98/1398885398.db2.gz PFUZGSDFWKIVFC-WJDWOHSUSA-N 0 1 378.453 3.231 40 0 GGABMN Cc1ncc(CN2CCC[C@@H]([C@@H](NC(=O)C3CCCC3)c3ccccn3)C2)cn1 ZINC000019287218 1399329112 /nfs/dbraw/zinc/32/91/12/1399329112.db2.gz AUUNEHWRMHNJAC-IFMALSPDSA-N 0 1 393.535 3.440 40 0 GGABMN CNc1cc(CN(C)C(=O)c2cccc3ncccc32)nc([C@H]2CCCCN2)n1 ZINC000019709870 1399336345 /nfs/dbraw/zinc/33/63/45/1399336345.db2.gz QSYRGTWXXQRQJQ-LJQANCHMSA-N 0 1 390.491 3.153 40 0 GGABMN CC(C)N1C=C(Cc2cccnc2)C2=C(C1)[C@H](c1cccnc1)C(C#N)=C(N)O2 ZINC000020459276 1399347261 /nfs/dbraw/zinc/34/72/61/1399347261.db2.gz XNAYCMLCXNHTJB-OAQYLSRUSA-N 0 1 385.471 3.389 40 0 GGABMN Cc1ccccc1CN1CCCN(C(=O)c2cc(=O)c3ccccc3o2)CC1 ZINC000027391202 1400031890 /nfs/dbraw/zinc/03/18/90/1400031890.db2.gz HRHRGOGPJFOREO-UHFFFAOYSA-N 0 1 376.456 3.450 40 0 GGABMN CN1CCN(c2ccc(NC(=O)c3ccc(Cn4cc(Cl)cn4)o3)cc2)CC1 ZINC000028243785 1400142396 /nfs/dbraw/zinc/14/23/96/1400142396.db2.gz PZNSCZMUBFZKSO-UHFFFAOYSA-N 0 1 399.882 3.182 40 0 GGABMN CC(C)NC(=O)Cc1ccc(NC(=O)[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000057169565 1407543041 /nfs/dbraw/zinc/54/30/41/1407543041.db2.gz XLRSLVZGPXEWFK-NRFANRHFSA-N 0 1 379.504 3.357 40 0 GGABMN Cc1c(NC(=O)[C@H](C)N(C)Cc2ccccc2C)c(=O)n(-c2ccccc2)n1C ZINC000057530599 1407643679 /nfs/dbraw/zinc/64/36/79/1407643679.db2.gz QBGSKIKPZPIQQB-SFHVURJKSA-N 0 1 392.503 3.252 40 0 GGABMN CC(C)(C)OC(=O)N1CCN(Cc2n[nH]c(-c3ccc(Cl)cc3)n2)CC1 ZINC000064875418 1408623343 /nfs/dbraw/zinc/62/33/43/1408623343.db2.gz BQQTUGDBSJKUOC-UHFFFAOYSA-N 0 1 377.876 3.178 40 0 GGABMN CC(C)(C)OC(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)n[nH]2)CC1 ZINC000064875418 1408623352 /nfs/dbraw/zinc/62/33/52/1408623352.db2.gz BQQTUGDBSJKUOC-UHFFFAOYSA-N 0 1 377.876 3.178 40 0 GGABMN CCOc1ccc(-c2nnc([C@@H](N)c3ccc(OC)c(OCC)c3)[nH]2)cc1OC ZINC000095534491 1410315405 /nfs/dbraw/zinc/31/54/05/1410315405.db2.gz DZYSPXCWHNGHKD-IBGZPJMESA-N 0 1 398.463 3.334 40 0 GGABMN CCOc1ccc(-c2nnc([C@H](N)c3ccc(OCC)c(OC)c3)[nH]2)cc1OC ZINC000095534346 1410315441 /nfs/dbraw/zinc/31/54/41/1410315441.db2.gz FQLXHIZBDSBJQN-LJQANCHMSA-N 0 1 398.463 3.334 40 0 GGABMN C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1cnn(C(C)(C)C)c1 ZINC000189982576 1432299083 /nfs/dbraw/zinc/29/90/83/1432299083.db2.gz IUEVEVGVLOOHPE-INIZCTEOSA-N 0 1 390.553 3.371 40 0 GGABMN FC(F)(F)c1nnc(N2CCCN(Cc3ccc4c[nH]nc4c3)CC2)s1 ZINC000191686142 1432706042 /nfs/dbraw/zinc/70/60/42/1432706042.db2.gz MNQQAURBAKKPMU-UHFFFAOYSA-N 0 1 382.415 3.146 40 0 GGABMN CC(=O)N1CCC[C@H](c2ncc3c(n2)CCN([C@@H](C)Cc2ccc(F)cc2)C3)C1 ZINC000247929331 1433757039 /nfs/dbraw/zinc/75/70/39/1433757039.db2.gz JDSKFGJXMXGYBR-LPHOPBHVSA-N 0 1 396.510 3.331 40 0 GGABMN Cn1cc(CN2CCC[C@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)cn1 ZINC000248158932 1433776005 /nfs/dbraw/zinc/77/60/05/1433776005.db2.gz WPJVPLNXOSYJGA-FXAWDEMLSA-N 0 1 395.532 3.260 40 0 GGABMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)Nc2ccc(C(F)(F)F)c(C)c2)CC1 ZINC000263009668 1433976552 /nfs/dbraw/zinc/97/65/52/1433976552.db2.gz HJMIUJXUHOMZMN-UHFFFAOYSA-N 0 1 387.402 3.417 40 0 GGABMN Cc1cc(C)n([C@H](C(=O)Nc2ccccc2CN2CCN(C)CC2)C(C)C)n1 ZINC000019572664 210268226 /nfs/dbraw/zinc/26/82/26/210268226.db2.gz CDFVDBOLTWRFLY-NRFANRHFSA-N 0 1 383.540 3.083 40 0 GGABMN CC(=O)N(C)C1CCC2(CC1)CN(Cc1[nH]cnc1C)Cc1ccccc1O2 ZINC000019577040 210267416 /nfs/dbraw/zinc/26/74/16/210267416.db2.gz QRQANCYVQGADHG-UHFFFAOYSA-N 0 1 382.508 3.272 40 0 GGABMN COc1ccc(C[N@@H+]2CCc3nc(-c4ccccn4)[n-]c(=O)c3C2)c(C)c1C ZINC000019577385 210267161 /nfs/dbraw/zinc/26/71/61/210267161.db2.gz CWICKXBNSKKHAT-UHFFFAOYSA-N 0 1 376.460 3.016 40 0 GGABMN COc1ccc(C[N@H+]2CCc3nc(-c4ccccn4)[n-]c(=O)c3C2)c(C)c1C ZINC000019577385 210267166 /nfs/dbraw/zinc/26/71/66/210267166.db2.gz CWICKXBNSKKHAT-UHFFFAOYSA-N 0 1 376.460 3.016 40 0 GGABMN COc1cc(C)c(C[N@@H+]2CC[C@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)cc1C ZINC000019567233 210264956 /nfs/dbraw/zinc/26/49/56/210264956.db2.gz MUJQAXOZGYAXQR-KRWDZBQOSA-N 0 1 390.487 3.447 40 0 GGABMN COc1cc(C)c(C[N@H+]2CC[C@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)cc1C ZINC000019567233 210264957 /nfs/dbraw/zinc/26/49/57/210264957.db2.gz MUJQAXOZGYAXQR-KRWDZBQOSA-N 0 1 390.487 3.447 40 0 GGABMN Cc1noc2nc([C@@H]3CCCN(C(=O)c4ccn[nH]4)C3)cc(C(F)(F)F)c12 ZINC000019564103 210264220 /nfs/dbraw/zinc/26/42/20/210264220.db2.gz AQBSTWBUASZECG-SNVBAGLBSA-N 0 1 379.342 3.293 40 0 GGABMN COc1ccc(Cl)cc1C(=O)N1CCc2nc([C@@H]3CCCCN3)ncc2C1 ZINC000019559064 210263427 /nfs/dbraw/zinc/26/34/27/210263427.db2.gz SQMXLUUQMIZXRI-KRWDZBQOSA-N 0 1 386.883 3.152 40 0 GGABMN COc1ccc(Cl)cc1C(=O)N1CCc2nc([C@H]3CCCCN3)ncc2C1 ZINC000019559066 210262974 /nfs/dbraw/zinc/26/29/74/210262974.db2.gz SQMXLUUQMIZXRI-QGZVFWFLSA-N 0 1 386.883 3.152 40 0 GGABMN COc1ccc(CN2CC[C@]3(C2)CCc2ccccc2C(=O)N3)c(OC)c1OC ZINC000019552748 210262361 /nfs/dbraw/zinc/26/23/61/210262361.db2.gz ICASIBHAISCGRN-QHCPKHFHSA-N 0 1 396.487 3.033 40 0 GGABMN Cc1c(CN2CCC[C@H](c3cc(C(=O)NCC4CCCCC4)on3)C2)cnn1C ZINC000019553675 210260856 /nfs/dbraw/zinc/26/08/56/210260856.db2.gz VWKCEZUULGQUFZ-SFHVURJKSA-N 0 1 399.539 3.406 40 0 GGABMN CCOc1ccc(CCC(=O)N2CCc3nc([C@@H]4CCCCN4)ncc3C2)cc1 ZINC000019533151 210258602 /nfs/dbraw/zinc/25/86/02/210258602.db2.gz DLAKHKZLTFLPBW-NRFANRHFSA-N 0 1 394.519 3.207 40 0 GGABMN CCn1cc(CN2CCC([C@@H](NC(=O)C3CCC3)c3ccccn3)CC2)c(C)n1 ZINC000019524521 210256781 /nfs/dbraw/zinc/25/67/81/210256781.db2.gz VEXJKDCQSRHBFW-JOCHJYFZSA-N 0 1 395.551 3.476 40 0 GGABMN CCc1ncc(CN2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C(C)=O)cn1 ZINC000019523455 210256793 /nfs/dbraw/zinc/25/67/93/210256793.db2.gz PCUPJPLMLOLXGY-KCZVDYSFSA-N 0 1 382.483 3.157 40 0 GGABMN CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@H+](C(C)C)CC3 ZINC000019499889 210254693 /nfs/dbraw/zinc/25/46/93/210254693.db2.gz RBJHZSBWJHLSHB-HNAYVOBHSA-N 0 1 399.539 3.301 40 0 GGABMN CC1CCN(c2nc3c(c(=O)[nH]2)CN(Cc2ccc4ccccc4n2)CC3)CC1 ZINC000019496942 210252050 /nfs/dbraw/zinc/25/20/50/210252050.db2.gz KZFHTIWWOUHRMI-UHFFFAOYSA-N 0 1 389.503 3.113 40 0 GGABMN COc1ccc([C@@H]2c3[nH]cnc3CCN2C(=O)[C@@H](C)Cn2cc(Cl)cn2)cc1 ZINC000019457367 210250919 /nfs/dbraw/zinc/25/09/19/210250919.db2.gz LMICOGWGMCVSJB-ORAYPTAESA-N 0 1 399.882 3.079 40 0 GGABMN CC(C)c1ncc(C[N@@H+]2CCC[C@@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)cn1 ZINC000019454052 210250446 /nfs/dbraw/zinc/25/04/46/210250446.db2.gz YVABDOVTZYNMIR-QGZVFWFLSA-N 0 1 390.491 3.125 40 0 GGABMN CC(C)c1ncc(C[N@H+]2CCC[C@@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)cn1 ZINC000019454052 210250450 /nfs/dbraw/zinc/25/04/50/210250450.db2.gz YVABDOVTZYNMIR-QGZVFWFLSA-N 0 1 390.491 3.125 40 0 GGABMN CC(=O)N1CCC(c2ncc3c(n2)CCN([C@@H](C)Cc2ccc(F)cc2)C3)CC1 ZINC000019456791 210250168 /nfs/dbraw/zinc/25/01/68/210250168.db2.gz GVGUGNOSUKBDNK-INIZCTEOSA-N 0 1 396.510 3.331 40 0 GGABMN CC(C)Nc1ncc(-c2ccncc2)c(C2CCN(C(=O)c3ccn[nH]3)CC2)n1 ZINC000019450286 210249481 /nfs/dbraw/zinc/24/94/81/210249481.db2.gz JLWAVVXPGIQCQN-UHFFFAOYSA-N 0 1 391.479 3.102 40 0 GGABMN CC(C)[N@H+]1CCc2nc3cc([C@H]4CCCCN4C(=O)C4CCC4)[n-]n3c(=O)c2C1 ZINC000019448043 210249031 /nfs/dbraw/zinc/24/90/31/210249031.db2.gz BCIVAJDGEQWKLM-LJQANCHMSA-N 0 1 397.523 3.055 40 0 GGABMN CC(C)[N@H+]1CCc2nc3cc([C@@H]4CCCCN4C(=O)C(C)(C)C)[n-]n3c(=O)c2C1 ZINC000019448037 210248695 /nfs/dbraw/zinc/24/86/95/210248695.db2.gz YBBPFKWUXLKFKQ-SFHVURJKSA-N 0 1 399.539 3.301 40 0 GGABMN CC(C)[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)CCC3CCCC3)[n-]c(=O)c2C1 ZINC000019448232 210248739 /nfs/dbraw/zinc/24/87/39/210248739.db2.gz LKUWFXVSYNSJQF-IBGZPJMESA-N 0 1 386.540 3.170 40 0 GGABMN CC(C)[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)CCC3CCCC3)[n-]c(=O)c2C1 ZINC000019448232 210248743 /nfs/dbraw/zinc/24/87/43/210248743.db2.gz LKUWFXVSYNSJQF-IBGZPJMESA-N 0 1 386.540 3.170 40 0 GGABMN CC(C)[N@H+]1CCc2nc3cc([C@H]4CCCCN4C(=O)C(C)(C)C)[n-]n3c(=O)c2C1 ZINC000019448039 210248475 /nfs/dbraw/zinc/24/84/75/210248475.db2.gz YBBPFKWUXLKFKQ-GOSISDBHSA-N 0 1 399.539 3.301 40 0 GGABMN O=c1cc([C@H]2CCCN(Cc3cccc(F)c3F)C2)nc(-c2ccccn2)[nH]1 ZINC000019402777 210247958 /nfs/dbraw/zinc/24/79/58/210247958.db2.gz KSUIXAOQQUJBDR-AWEZNQCLSA-N 0 1 382.414 3.490 40 0 GGABMN Clc1nc2ccccc2c(N2CCCCC2)c1CNCCN1CCOCC1 ZINC000019375988 210246750 /nfs/dbraw/zinc/24/67/50/210246750.db2.gz AQCHBQJXAOGCRG-UHFFFAOYSA-N 0 1 388.943 3.300 40 0 GGABMN O=C(Cn1cc(/C=C2/NC(=O)NC2=O)c2ccccc21)Nc1ccc(Cl)cc1 ZINC000409044907 231150385 /nfs/dbraw/zinc/15/03/85/231150385.db2.gz DFYWUMYGDZTNSN-CXUHLZMHSA-N 0 1 394.818 3.114 40 0 GGABMN COCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 ZINC000409382626 231198785 /nfs/dbraw/zinc/19/87/85/231198785.db2.gz VRAPWSQWIBJTAX-UHFFFAOYSA-N 0 1 396.896 3.134 40 0 GGABMN CSc1nnc([C@@H]2CCCN2C(=O)[C@@H](c2ccccc2)N2CCCCC2)n1C ZINC000019289268 210237819 /nfs/dbraw/zinc/23/78/19/210237819.db2.gz DEMKEVCJZYSEPF-ZWKOTPCHSA-N 0 1 399.564 3.428 40 0 GGABMN Cn1ccnc1[C@H](O)c1cccc(F)c1N1CCN(CCc2ccccc2)CC1 ZINC000019291262 210237208 /nfs/dbraw/zinc/23/72/08/210237208.db2.gz HUWKYVZOXRTQNZ-JOCHJYFZSA-N 0 1 394.494 3.006 40 0 GGABMN Cc1nccc(-c2ccc(-c3noc(CN4CCN(C(C)C)CC4)n3)cc2)n1 ZINC000019287559 210237100 /nfs/dbraw/zinc/23/71/00/210237100.db2.gz MCGDGEZHUAYKRS-UHFFFAOYSA-N 0 1 378.480 3.028 40 0 GGABMN CNc1cc(C[C@H](NC(=O)CN2CCCC2)c2cccc(C)c2)nc(C2CC2)n1 ZINC000019234478 210233271 /nfs/dbraw/zinc/23/32/71/210233271.db2.gz LHEHBAXLPIEAHV-FQEVSTJZSA-N 0 1 393.535 3.200 40 0 GGABMN COc1cc(CNCc2cc(-c3cccc(C)c3)cn3nnnc23)cc(OC)c1 ZINC000019235300 210233361 /nfs/dbraw/zinc/23/33/61/210233361.db2.gz DNSUYROGQWWEAQ-UHFFFAOYSA-N 0 1 389.459 3.407 40 0 GGABMN COc1cccc(CN2CCN(C(=O)c3nc4ccc(C)cc4[nH]3)[C@@H](C)C2)c1 ZINC000019219661 210231039 /nfs/dbraw/zinc/23/10/39/210231039.db2.gz WNGDTVJRSVSUJK-INIZCTEOSA-N 0 1 378.476 3.226 40 0 GGABMN Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@@H]2c2ncc3c(n2)CC[N@H+](C)C3)c(C)c1 ZINC000019132727 210227666 /nfs/dbraw/zinc/22/76/66/210227666.db2.gz NOYKNBWGDUAAKS-FXAWDEMLSA-N 0 1 394.519 3.212 40 0 GGABMN Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@H]2c2ncc3c(n2)CC[N@H+](C)C3)c(C)c1 ZINC000019132735 210227752 /nfs/dbraw/zinc/22/77/52/210227752.db2.gz NOYKNBWGDUAAKS-PXNSSMCTSA-N 0 1 394.519 3.212 40 0 GGABMN Cc1cc2nc([C@H]3CCCN(Cc4cc5c(cc4Cl)OCO5)C3)cc(N)n2n1 ZINC000019129224 210227237 /nfs/dbraw/zinc/22/72/37/210227237.db2.gz VCSGCMZJYIFXQY-ZDUSSCGKSA-N 0 1 399.882 3.382 40 0 GGABMN COc1ccc(C)cc1C[N@H+]1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 ZINC000019133413 210226559 /nfs/dbraw/zinc/22/65/59/210226559.db2.gz VEMZEDDWRGNQDD-HYVNUMGLSA-N 0 1 391.466 3.498 40 0 GGABMN COc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)[C@@H](C)Oc2cccc(F)c2)cc1 ZINC000019079493 210223828 /nfs/dbraw/zinc/22/38/28/210223828.db2.gz AJEBQROMRCFOLL-SZNDQCEHSA-N 0 1 395.434 3.499 40 0 GGABMN COc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)[C@@H](C)n2cc(Cl)cn2)cc1 ZINC000019079517 210223598 /nfs/dbraw/zinc/22/35/98/210223598.db2.gz KROJCANFOYWRNI-XIKOKIGWSA-N 0 1 385.855 3.004 40 0 GGABMN COc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)[C@@H](C)Oc2ccccc2F)cc1 ZINC000019079504 210222963 /nfs/dbraw/zinc/22/29/63/210222963.db2.gz GJOAUNXQWCUCMD-SZNDQCEHSA-N 0 1 395.434 3.499 40 0 GGABMN CNc1ncc(CN2CC[C@H](c3ccccc3)[C@@H]3[C@H]2CCCCN3C(C)=O)cn1 ZINC000019017603 210222533 /nfs/dbraw/zinc/22/25/33/210222533.db2.gz FNZHZLFMRSFVDM-YPAWHYETSA-N 0 1 393.535 3.277 40 0 GGABMN O=C(C1CCCCC1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCC2)C3)C1 ZINC000019014671 210222301 /nfs/dbraw/zinc/22/23/01/210222301.db2.gz NFOAVLHAVCDNIW-QGZVFWFLSA-N 0 1 398.551 3.379 40 0 GGABMN CC(=O)N1CCc2nc([C@@H]3CCCN(Cc4ccccc4Cl)C3)ncc2C1 ZINC000019018408 210221860 /nfs/dbraw/zinc/22/18/60/210221860.db2.gz DFNGQPPLYXDWAL-QGZVFWFLSA-N 0 1 384.911 3.414 40 0 GGABMN CC(=O)N1CCc2nc([C@@H]3CCCN(Cc4cccc(Cl)c4)C3)ncc2C1 ZINC000019018394 210220982 /nfs/dbraw/zinc/22/09/82/210220982.db2.gz LLYFBCZNEDIFKC-QGZVFWFLSA-N 0 1 384.911 3.414 40 0 GGABMN O=C(CN1CCCCCC1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000016740482 210194339 /nfs/dbraw/zinc/19/43/39/210194339.db2.gz JUKUEETVKYRZCI-UHFFFAOYSA-N 0 1 387.505 3.302 40 0 GGABMN CCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)c2ccccc2F)c1 ZINC000016681644 210193501 /nfs/dbraw/zinc/19/35/01/210193501.db2.gz HUNZLMGHADVEIM-UHFFFAOYSA-N 0 1 399.466 3.397 40 0 GGABMN Cc1cnc(-c2nc(C3CC[NH+](Cc4cccc(F)c4)CC3)cc(=O)[n-]2)cn1 ZINC000013227804 210055317 /nfs/dbraw/zinc/05/53/17/210055317.db2.gz TWOZTHLXAYPBDX-UHFFFAOYSA-N 0 1 379.439 3.466 40 0 GGABMN Cc1ccc2nc(C(=O)NCCCC(=O)N3c4ccccc4C[C@H]3C)[nH]c2c1 ZINC000012147244 209913008 /nfs/dbraw/zinc/91/30/08/209913008.db2.gz LTPUFBYPSVGOOL-OAHLLOKOSA-N 0 1 376.460 3.359 40 0 GGABMN Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)cc2)c(C)c1 ZINC000006266463 209641032 /nfs/dbraw/zinc/64/10/32/209641032.db2.gz VCJDQQXKVVMQJJ-UHFFFAOYSA-N 0 1 382.533 3.182 40 0 GGABMN CC(C)NC(=O)OC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(-c2cccs2)nn1C ZINC000008635843 291125224 /nfs/dbraw/zinc/12/52/24/291125224.db2.gz AJHJWCBMYCWYMZ-XHSDSOJGSA-N 0 1 388.537 3.461 40 0 biogenic,in-vitro GGABMN Cc1nc(-c2ccccc2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)NC(C)C)n1 ZINC000015672530 291128783 /nfs/dbraw/zinc/12/87/83/291128783.db2.gz QWEHTGQAJZLGEO-ZCNNSNEGSA-N 0 1 393.535 3.337 40 0 biogenic,in-vitro GGABMN O=C1C(Cc2c(Cl)cccc2Cl)Sc2nnc(-c3cnccn3)n21 ZINC000001099550 209300055 /nfs/dbraw/zinc/30/00/55/209300055.db2.gz RETNVBUGAJJYPL-GFCCVEGCSA-N 0 1 378.244 3.399 40 0 GGABMN COc1ccc(CN2C[C@@H]3CN(C(=O)CC(C)(C)C)CCN3C(C)(C)C2)cc1 ZINC000253399272 209216729 /nfs/dbraw/zinc/21/67/29/209216729.db2.gz ITCYFEQKZSEUTF-LJQANCHMSA-N 0 1 387.568 3.238 40 0 biogenic,in-vitro GGABMN Cc1ccc2c(c1)nnn2C1CCN(CC(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000004968205 209189380 /nfs/dbraw/zinc/18/93/80/209189380.db2.gz WTHIMPRNVATMHO-QGZVFWFLSA-N 0 1 389.503 3.354 40 0 GGABMN Cc1cc(C)n(C[C@@H](O)CN(Cc2ccco2)Cc2ccc3c(c2)C[C@@H](C)O3)n1 ZINC000227170085 209188196 /nfs/dbraw/zinc/18/81/96/209188196.db2.gz GFXPYYOCXHYASD-NQIIRXRSSA-N 0 1 395.503 3.480 40 0 GGABMN CN1CCN(c2ccc(N)cc2NC(=O)c2cccc(Br)c2)CC1 ZINC000226258842 209188247 /nfs/dbraw/zinc/18/82/47/209188247.db2.gz MVXZGHPIBLIGBU-UHFFFAOYSA-N 0 1 389.297 3.035 40 0 GGABMN CCCCOc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)c(N)c2)cc1 ZINC000226263879 209186817 /nfs/dbraw/zinc/18/68/17/209186817.db2.gz HEWNJKMKPJFZPV-UHFFFAOYSA-N 0 1 382.508 3.452 40 0 GGABMN COc1cccc(-c2cnc3n2C[C@]2(CCN(Cc4ccccn4)C2)OC3)c1 ZINC000306143709 212055274 /nfs/dbraw/zinc/05/52/74/212055274.db2.gz YKCGQUQMVGZMBW-JOCHJYFZSA-N 0 1 376.460 3.129 40 0 GGABMN CCCC(=O)N1CC[C@]2(c3ccccc3)CC[C@H](N3CCN(C(C)=O)CC3)C[C@@H]12 ZINC000306141879 212054722 /nfs/dbraw/zinc/05/47/22/212054722.db2.gz WIYDAJJBVCAATR-ZDXQCDESSA-N 0 1 397.563 3.042 40 0 GGABMN CN1CC2(CCN(Cc3cccnc3)CC2)c2nc(-c3ccccc3)ncc2C1=O ZINC000306144712 212054374 /nfs/dbraw/zinc/05/43/74/212054374.db2.gz ZMTZGRRNQHUEOB-UHFFFAOYSA-N 0 1 399.498 3.158 40 0 GGABMN COCCn1cnc2c1C1(CCN(Cc3ccncc3)CC1)Oc1ccccc1-2 ZINC000306139935 212053784 /nfs/dbraw/zinc/05/37/84/212053784.db2.gz UEJBOMDQENGGMC-UHFFFAOYSA-N 0 1 390.487 3.475 40 0 GGABMN Cc1nc(COCC[C@@H]2CN(CC3CCOCC3)Cc3ccnn32)cs1 ZINC000306133625 212051282 /nfs/dbraw/zinc/05/12/82/212051282.db2.gz MRHPENYTSGZOJK-LJQANCHMSA-N 0 1 376.526 3.038 40 0 GGABMN Cc1ccc(CN2C[C@@H]3[C@H](C2)N(Cc2ccccn2)C(=O)c2cccn23)s1 ZINC000306136726 212050802 /nfs/dbraw/zinc/05/08/02/212050802.db2.gz QBBAXJIIJFLMOK-UXHICEINSA-N 0 1 378.501 3.335 40 0 GGABMN Cc1cccc(C(=O)N2CC3(C2)C[C@H](COCc2ccncc2)CCN3C)c1 ZINC000306129234 212047219 /nfs/dbraw/zinc/04/72/19/212047219.db2.gz HYBBLLNVCPWKCX-HXUWFJFHSA-N 0 1 379.504 3.143 40 0 GGABMN CC(C)N1CCC[C@]2(CN(Cc3nccs3)C[C@@H]2c2nccs2)C1=O ZINC000306132071 212049401 /nfs/dbraw/zinc/04/94/01/212049401.db2.gz KXFFESTZQXEGAG-RDTXWAMCSA-N 0 1 376.551 3.216 40 0 GGABMN CC(C)N1CCC[C@@]2(CN(Cc3nccs3)C[C@H]2c2nccs2)C1=O ZINC000306132070 212049002 /nfs/dbraw/zinc/04/90/02/212049002.db2.gz KXFFESTZQXEGAG-KSSFIOAISA-N 0 1 376.551 3.216 40 0 GGABMN COc1ncccc1CN1CC[C@H](c2nc3ccc(-c4cccnc4)cn3n2)C1 ZINC000306130395 212048079 /nfs/dbraw/zinc/04/80/79/212048079.db2.gz JEVXCZNBDAKTNQ-SFHVURJKSA-N 0 1 386.459 3.184 40 0 GGABMN CN1CC2(CCN(Cc3ccco3)CC2)c2nc(-c3ccccc3)ncc2C1=O ZINC000306125096 212044279 /nfs/dbraw/zinc/04/42/79/212044279.db2.gz CGWDQDHRYGNYLT-UHFFFAOYSA-N 0 1 388.471 3.356 40 0 GGABMN O=C(c1ccsc1)N1C[C@@]2(CCN(Cc3cccnc3)C2)c2ncccc21 ZINC000306130291 212046499 /nfs/dbraw/zinc/04/64/99/212046499.db2.gz JBOBYUPAWSRYKB-NRFANRHFSA-N 0 1 376.485 3.342 40 0 GGABMN COc1ncccc1CN1CC[C@]2(C1)Cn1c(-c3ccsc3)cnc1CO2 ZINC000306127145 212045166 /nfs/dbraw/zinc/04/51/66/212045166.db2.gz FPLYYOCQIZQVDQ-FQEVSTJZSA-N 0 1 382.489 3.190 40 0 GGABMN CN1CC2(CCN(Cc3ccoc3)CC2)c2nn(-c3ccccc3)cc2C1=O ZINC000306122951 212043195 /nfs/dbraw/zinc/04/31/95/212043195.db2.gz AAJHNUBOUFNTAR-UHFFFAOYSA-N 0 1 376.460 3.085 40 0 GGABMN O=C([O-])c1cccc(C[N@H+]2CCC[C@H](Cc3nccnc3-c3ncc[nH]3)C2)c1 ZINC000257312189 212022600 /nfs/dbraw/zinc/02/26/00/212022600.db2.gz UMUDLTVCYYUMAL-MRXNPFEDSA-N 0 1 377.448 3.020 40 0 GGABMN Cc1c[nH]c(-c2nccnc2C[C@H]2CCC[N@@H+](Cc3ccc(C(=O)[O-])cc3)C2)n1 ZINC000257308645 212022460 /nfs/dbraw/zinc/02/24/60/212022460.db2.gz TXNANHLSIALEDI-QGZVFWFLSA-N 0 1 391.475 3.328 40 0 GGABMN CC1CCN(C(=O)CN2CCC(c3cccc(Nc4ncccn4)n3)CC2)CC1 ZINC000257287873 212018491 /nfs/dbraw/zinc/01/84/91/212018491.db2.gz PRUVXOGSZVWLHN-UHFFFAOYSA-N 0 1 394.523 3.053 40 0 GGABMN Cc1noc(C)c1-c1cc(CC2CCN(Cc3ccnc(C)n3)CC2)ncn1 ZINC000257289252 212017662 /nfs/dbraw/zinc/01/76/62/212017662.db2.gz PXTJPLFAPYXRTJ-UHFFFAOYSA-N 0 1 378.480 3.302 40 0 GGABMN COCCNC(=O)CN1CCC[C@@H](c2cc(Nc3ccc(C)cc3)cc(C)n2)C1 ZINC000257275969 212017072 /nfs/dbraw/zinc/01/70/72/212017072.db2.gz NRUIWICYTCBMAU-LJQANCHMSA-N 0 1 396.535 3.384 40 0 GGABMN C[C@@]1(c2ncc(Cc3ccccc3F)o2)CCCN(C(=O)CN2CCCC2)C1 ZINC000257266087 212014530 /nfs/dbraw/zinc/01/45/30/212014530.db2.gz MBMFIKBJHGOSNK-JOCHJYFZSA-N 0 1 385.483 3.380 40 0 GGABMN COc1ccc(Cc2cnc([C@@H]3CCCN(C(=O)CN4CCCCC4)C3)o2)cc1 ZINC000257275636 212015567 /nfs/dbraw/zinc/01/55/67/212015567.db2.gz NQFADZGZFOYYIH-LJQANCHMSA-N 0 1 397.519 3.466 40 0 GGABMN CC(=O)N1CCCCC[C@@H]2N(C(=O)C3=NC(=O)NC3)[C@H](c3ccccc3)C[C@@]21C ZINC000257268584 212014789 /nfs/dbraw/zinc/01/47/89/212014789.db2.gz MMHVOPGRFDVIDR-IPJJNNNSSA-N 0 1 396.491 3.252 40 0 GGABMN CC(=O)N1CC[C@H](c2[nH]ncc2-c2ccnc(NCc3cnc(C)s3)c2)C1 ZINC000257256806 212012817 /nfs/dbraw/zinc/01/28/17/212012817.db2.gz KMZVQRUXBBMFKC-HNNXBMFYSA-N 0 1 382.493 3.185 40 0 GGABMN COc1cccc(Cc2cnc([C@@H]3CCCN(C(=O)CN4CCCC4)C3)o2)c1 ZINC000257257955 212012326 /nfs/dbraw/zinc/01/23/26/212012326.db2.gz KRTHBIGITOOGFY-GOSISDBHSA-N 0 1 383.492 3.076 40 0 GGABMN CCCN1CC[N@@H+](CC(=O)[O-])C[C@H](Cc2cccc(-c3cccc(C)c3)c2)C1=O ZINC000257243277 212009019 /nfs/dbraw/zinc/00/90/19/212009019.db2.gz IGEDRWNHBYFDQG-QFIPXVFZSA-N 0 1 394.515 3.460 40 0 GGABMN CC(=O)N1CCC[C@@H]2N(C(=O)c3cc(-c4ccc(C)cc4)[nH]n3)CCC[C@@]21C ZINC000257240154 212008472 /nfs/dbraw/zinc/00/84/72/212008472.db2.gz HSGKLPYGILRAIB-UNMCSNQZSA-N 0 1 380.492 3.391 40 0 GGABMN Cc1c[nH]c(-c2cncc(C[C@H]3CCC[N@@H+](Cc4ccccc4C(=O)[O-])C3)n2)n1 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CC1CCN(CC(=O)N2CCC[C@@H](c3ccc(Nc4ncccn4)cn3)C2)CC1 ZINC000072353329 211097579 /nfs/dbraw/zinc/09/75/79/211097579.db2.gz NHVFDPLZKDAWFF-GOSISDBHSA-N 0 1 394.523 3.053 40 0 GGABMN COc1cccc(Cc2cccc([C@H]3CCCN(C(=O)c4ccn[nH]4)C3)n2)c1 ZINC000072349811 211096807 /nfs/dbraw/zinc/09/68/07/211096807.db2.gz UYGHBDXZCAXBCQ-KRWDZBQOSA-N 0 1 376.460 3.424 40 0 GGABMN COc1ccccc1Cc1cccc(C2CCN(C(=O)c3ccn[nH]3)CC2)n1 ZINC000072349812 211096870 /nfs/dbraw/zinc/09/68/70/211096870.db2.gz NUXJMTRTLHTWCI-UHFFFAOYSA-N 0 1 376.460 3.424 40 0 GGABMN O=C(CN1CCC[C@H](c2cccc(-c3cccc(Cl)c3)n2)C1)N1CCOCC1 ZINC000072348725 211095990 /nfs/dbraw/zinc/09/59/90/211095990.db2.gz QTNFATIALVZCIR-SFHVURJKSA-N 0 1 399.922 3.440 40 0 GGABMN CC[C@H](OC[C@@H](O)CN1CCN(c2ccccc2OC)CC1)c1ccccc1 ZINC000023633534 210449767 /nfs/dbraw/zinc/44/97/67/210449767.db2.gz FFRDZDJIWDVYGO-UNMCSNQZSA-N 0 1 384.520 3.346 40 0 GGABMN CCN(CC)[C@H](CNC(=O)CCN1CCSC1=O)c1ccccc1Cl ZINC000022681872 210420855 /nfs/dbraw/zinc/42/08/55/210420855.db2.gz 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CC[C@@H](CN1CCOCC1)n1cncc1-c1c[nH]nc1-c1ccc(OC)cc1 ZINC000019719553 210289636 /nfs/dbraw/zinc/28/96/36/210289636.db2.gz JYFBXIPZZHGLDV-KRWDZBQOSA-N 0 1 381.480 3.232 40 0 GGABMN CCOc1ccc(-c2n[nH]cc2-c2cncn2[C@@H](C)CN2CCOCC2)cc1 ZINC000019719718 210289512 /nfs/dbraw/zinc/28/95/12/210289512.db2.gz SNNRPZGXFMDUCI-INIZCTEOSA-N 0 1 381.480 3.232 40 0 GGABMN CCOc1ccc([C@H]2CCCN2C(=O)c2cc(-c3cn(C)nc3C)[nH]n2)cc1 ZINC000019718736 210288690 /nfs/dbraw/zinc/28/86/90/210288690.db2.gz DSYFQMGLTCYFFX-HXUWFJFHSA-N 0 1 379.464 3.495 40 0 GGABMN CCn1cc(-c2cc(NCC3(N4CCOCC4)CCCCC3)nc(C)n2)cn1 ZINC000019718046 210288598 /nfs/dbraw/zinc/28/85/98/210288598.db2.gz NZPVHYGLRUZRJZ-UHFFFAOYSA-N 0 1 384.528 3.115 40 0 GGABMN O=C(c1ccn[nH]1)N1CCC([C@@H]2CC=CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000019695729 210282670 /nfs/dbraw/zinc/28/26/70/210282670.db2.gz ICAWGDLEIURSKI-IBGZPJMESA-N 0 1 396.466 3.006 40 0 GGABMN Cn1nccc1CN1CCC([C@H]2CC=CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000019698536 210282100 /nfs/dbraw/zinc/28/21/00/210282100.db2.gz XJJKQOZBMYWCGJ-JOCHJYFZSA-N 0 1 396.510 3.376 40 0 GGABMN CN(C)c1ncc(-c2cccc(F)c2)c([C@H]2CCCN2Cc2cnn(C)c2)n1 ZINC000019689981 210281114 /nfs/dbraw/zinc/28/11/14/210281114.db2.gz DOVDMNADJXKSGV-LJQANCHMSA-N 0 1 380.471 3.419 40 0 GGABMN O=C(c1ccn[nH]1)N1CCC([C@H]2CC=CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000019695730 210280643 /nfs/dbraw/zinc/28/06/43/210280643.db2.gz ICAWGDLEIURSKI-LJQANCHMSA-N 0 1 396.466 3.006 40 0 GGABMN COc1ccc([C@@H]2c3[nH]cnc3CCN2C(=O)c2cn3cccc(C)c3n2)cc1 ZINC000019662644 210278993 /nfs/dbraw/zinc/27/89/93/210278993.db2.gz JKGKWZGHHVZSJA-HXUWFJFHSA-N 0 1 387.443 3.162 40 0 GGABMN Cc1nn(C)c2nc(C)cc(C(=O)NC[C@@H](c3cccc(Cl)c3)N(C)C)c12 ZINC000019662785 210278862 /nfs/dbraw/zinc/27/88/62/210278862.db2.gz FACJUQWQCGNMTG-KRWDZBQOSA-N 0 1 385.899 3.271 40 0 GGABMN COCCNC(=O)c1cc([C@@H]2CCCN(Cc3ccccc3Cl)C2)no1 ZINC000019593551 210275902 /nfs/dbraw/zinc/27/59/02/210275902.db2.gz JKOWQGDETDNNKG-OAHLLOKOSA-N 0 1 377.872 3.084 40 0 GGABMN COc1ccccc1-c1cc(C(=O)N(Cc2c(C)nn(C)c2C)C2CC2)n[nH]1 ZINC000019577794 210270998 /nfs/dbraw/zinc/27/09/98/210270998.db2.gz SOSQSAROKDMJFA-UHFFFAOYSA-N 0 1 379.464 3.240 40 0 GGABMN Cc1oc2c(c1C(=O)N1CCc3nc([C@H]4CCCCN4)ncc3C1)CCCC2 ZINC000019581260 210269400 /nfs/dbraw/zinc/26/94/00/210269400.db2.gz PSUUJNUMEBDZCZ-GOSISDBHSA-N 0 1 380.492 3.270 40 0 GGABMN COc1ccc(C[N@@H+]2CC[C@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)c(C)c1C ZINC000019577282 210268414 /nfs/dbraw/zinc/26/84/14/210268414.db2.gz ANCXEHCMHFCCBK-SFHVURJKSA-N 0 1 390.487 3.447 40 0 GGABMN COc1ccc(C[N@H+]2CC[C@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)c(C)c1C ZINC000019577282 210268418 /nfs/dbraw/zinc/26/84/18/210268418.db2.gz ANCXEHCMHFCCBK-SFHVURJKSA-N 0 1 390.487 3.447 40 0 GGABMN CN1CCN(Cc2cccnc2)C[C@H](Cc2cccc(-c3ccncc3)c2)C1=O ZINC000019589574 210273524 /nfs/dbraw/zinc/27/35/24/210273524.db2.gz JQNXKVQVEZTRID-QHCPKHFHSA-N 0 1 386.499 3.277 40 0 GGABMN CN1CCN(Cc2ccncc2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019589504 210272530 /nfs/dbraw/zinc/27/25/30/210272530.db2.gz MIRFEXQHENJAQC-QHCPKHFHSA-N 0 1 386.499 3.277 40 0 GGABMN CCn1cc(CN2CCC(c3cc(N)n4nc(C(C)(C)C)cc4n3)CC2)cn1 ZINC000012120877 221154367 /nfs/dbraw/zinc/15/43/67/221154367.db2.gz AWKWHUKKXNYAGA-UHFFFAOYSA-N 0 1 381.528 3.205 40 0 GGABMN COc1cc(C)c(CN2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)cc1OC ZINC000012122173 221154647 /nfs/dbraw/zinc/15/46/47/221154647.db2.gz QAQDTRJYWCYZLZ-UHFFFAOYSA-N 0 1 392.459 3.128 40 0 GGABMN Cc1ccc(-c2cc(CC3(C(=O)NCCc4cnc[nH]4)CCOCC3)on2)cc1 ZINC000012126555 221156337 /nfs/dbraw/zinc/15/63/37/221156337.db2.gz GUEJCBXJCBMFSE-UHFFFAOYSA-N 0 1 394.475 3.071 40 0 GGABMN Cc1nc2c(c(N3CCN4CCCC[C@@H]4C3)n1)CN(Cc1ccccc1)CC2 ZINC000012183371 221162976 /nfs/dbraw/zinc/16/29/76/221162976.db2.gz NUCZEQRVZYDIQK-HXUWFJFHSA-N 0 1 377.536 3.018 40 0 GGABMN Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000017012311 221375454 /nfs/dbraw/zinc/37/54/54/221375454.db2.gz ZTWGMLLCHMCLRI-UHFFFAOYSA-N 0 1 385.899 3.001 40 0 GGABMN CCN1CCN(c2cc(NC(=O)c3ccccc3F)c(Cl)cc2N)CC1 ZINC000072229220 136167609 /nfs/dbraw/zinc/16/76/09/136167609.db2.gz DIOUWFRADDIEQG-UHFFFAOYSA-N 0 1 376.863 3.456 40 0 GGABMN CCN1CCN(c2cc(NC(=O)c3ccccc3OC)c(Cl)cc2N)CC1 ZINC000072229544 136167677 /nfs/dbraw/zinc/16/76/77/136167677.db2.gz ODURNBJTHDIYEU-UHFFFAOYSA-N 0 1 388.899 3.325 40 0 GGABMN CCN1CCN(c2cc(NC(=O)c3cccc(OC)c3)c(Cl)cc2N)CC1 ZINC000072229558 136167680 /nfs/dbraw/zinc/16/76/80/136167680.db2.gz URHCBTNNLQVMST-UHFFFAOYSA-N 0 1 388.899 3.325 40 0 GGABMN C[C@@H]1CCCN(c2nc3c(c(=O)[n-]2)C[N@H+](Cc2cccc4cccnc42)CC3)C1 ZINC000072389575 136169159 /nfs/dbraw/zinc/16/91/59/136169159.db2.gz ZBPFMDTVBYSDRE-MRXNPFEDSA-N 0 1 389.503 3.113 40 0 GGABMN C[C@@H]1CCCN(c2nc3c(c(=O)[n-]2)C[N@@H+](Cc2cccc4cccnc42)CC3)C1 ZINC000072389575 136169160 /nfs/dbraw/zinc/16/91/60/136169160.db2.gz ZBPFMDTVBYSDRE-MRXNPFEDSA-N 0 1 389.503 3.113 40 0 GGABMN CC[NH+]1CCN(c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000007109260 136195224 /nfs/dbraw/zinc/19/52/24/136195224.db2.gz IAZLAXDAQVKJJR-UHFFFAOYSA-N 0 1 379.913 3.283 40 0 GGABMN COc1cccc(N2CCN(C[C@H](O)CO[C@H]3CCCc4ccccc43)CC2)c1 ZINC000022132295 136203536 /nfs/dbraw/zinc/20/35/36/136203536.db2.gz BVVLFEFONVYHGK-URXFXBBRSA-N 0 1 396.531 3.272 40 0 GGABMN COc1cccc(N2CCN(C[C@H](O)CO[C@@H]3CCCc4ccccc43)CC2)c1 ZINC000022132293 136203557 /nfs/dbraw/zinc/20/35/57/136203557.db2.gz BVVLFEFONVYHGK-XUZZJYLKSA-N 0 1 396.531 3.272 40 0 GGABMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)N2CCCC2)cc1 ZINC000408587492 534187880 /nfs/dbraw/zinc/18/78/80/534187880.db2.gz CYNNCQSVZQUCOK-UHFFFAOYSA-N 0 1 375.450 3.124 40 0 GGABMN O=C([O-])CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000408608072 534494540 /nfs/dbraw/zinc/49/45/40/534494540.db2.gz MOVKTHLFLOMBNR-LJQANCHMSA-N 0 1 388.414 3.329 40 0 GGABMN Cc1cccc(C(=O)N2CC[NH+]([C@H](CCC(=O)[O-])c3ccc(F)cc3)CC2)c1 ZINC000408611607 534592899 /nfs/dbraw/zinc/59/28/99/534592899.db2.gz UIDHXPWPPUUSJI-HXUWFJFHSA-N 0 1 384.451 3.498 40 0 GGABMN C[C@H]1CN(C(=O)CCCCCn2c(=O)c3ccccc3[nH]c2=S)C[C@H](C)O1 ZINC000012607597 524465697 /nfs/dbraw/zinc/46/56/97/524465697.db2.gz HQHYPHPFBBYCFV-GJZGRUSLSA-N 0 1 389.521 3.255 40 0 GGABMN O=C1NC(=O)/C(=C\c2ccc(OCc3cccc(F)c3)c(Br)c2)N1 ZINC000409059670 534784609 /nfs/dbraw/zinc/78/46/09/534784609.db2.gz WNXSOHSHFRPEPZ-RIYZIHGNSA-N 0 1 391.196 3.348 40 0 GGABMN CCOC(=O)c1ccc(NC(=O)CSc2nc(Cc3ccccc3)n[nH]2)cc1 ZINC000409385413 528232316 /nfs/dbraw/zinc/23/23/16/528232316.db2.gz LGKFPDHOIOQFJQ-UHFFFAOYSA-N 0 1 396.472 3.303 40 0 GGABMN CCOC(=O)Nc1cc(S(=O)(=O)Nc2cc(C)ccc2OC)ccc1OC ZINC000408586185 529107518 /nfs/dbraw/zinc/10/75/18/529107518.db2.gz MHPXTRFVLFAAOX-UHFFFAOYSA-N 0 1 394.449 3.381 40 0 GGABMN CCOC(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1 ZINC000408559253 529111728 /nfs/dbraw/zinc/11/17/28/529111728.db2.gz WEBACMIYOUMYES-UHFFFAOYSA-N 0 1 380.422 3.073 40 0 GGABMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2cc(C)on2)CC1 ZINC000060332838 535745802 /nfs/dbraw/zinc/74/58/02/535745802.db2.gz FMBVGFIWMDABTP-CQSZACIVSA-N 0 1 375.448 3.147 40 0 GGABMN COc1cccc(CN2CC[C@@](C)(O)[C@@H](NC(=O)C3CC3)[C@@H]2c2ccccc2)c1 ZINC000514289878 560031341 /nfs/dbraw/zinc/03/13/41/560031341.db2.gz LJGMIROOHUXJHY-WPFOTENUSA-N 0 1 394.515 3.288 40 0 biogenic,in-vitro GGABMN COc1ccc2[nH]c(C[C@H]3C[N@@H+](Cc4ccccn4)CC[C@H]3CC(=O)[O-])nc2c1 ZINC000514288636 560034217 /nfs/dbraw/zinc/03/42/17/560034217.db2.gz JPOFRVOEJXBETJ-HOTGVXAUSA-N 0 1 394.475 3.122 40 0 biogenic,in-vitro GGABMN COc1ccc2nc(C[C@H]3C[N@H+](Cc4ccccn4)CC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000514288636 560034219 /nfs/dbraw/zinc/03/42/19/560034219.db2.gz JPOFRVOEJXBETJ-HOTGVXAUSA-N 0 1 394.475 3.122 40 0 biogenic,in-vitro GGABMN COc1ccc2nc(C[C@H]3C[N@@H+](Cc4ccccn4)CC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000514288636 560034220 /nfs/dbraw/zinc/03/42/20/560034220.db2.gz JPOFRVOEJXBETJ-HOTGVXAUSA-N 0 1 394.475 3.122 40 0 biogenic,in-vitro GGABMN O=C([O-])c1ccc(C[NH2+]C2(Cc3cc(COc4ccccc4)on3)COC2)cc1 ZINC000072321939 560076472 /nfs/dbraw/zinc/07/64/72/560076472.db2.gz IZYLNIKTXAXGPA-UHFFFAOYSA-N 0 1 394.427 3.053 40 0 biogenic,in-vitro GGABMN COc1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4ccc(C(=O)[O-])cc4)C3)o2)cc1 ZINC000049170085 560084216 /nfs/dbraw/zinc/08/42/16/560084216.db2.gz CJDHLNDYFHTOJU-KRWDZBQOSA-N 0 1 379.416 3.433 40 0 biogenic,in-vitro GGABMN O[C@@H]1C[C@@H](c2nc(-c3ccc4c(c3)OCO4)no2)N(CCCc2ccccc2)C1 ZINC000015674982 560095166 /nfs/dbraw/zinc/09/51/66/560095166.db2.gz BYHPVLFCNXPUGP-MSOLQXFVSA-N 0 1 393.443 3.206 40 0 biogenic,in-vitro GGABMN COc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c(OC)cc1NC(C)=O ZINC000001324284 564185968 /nfs/dbraw/zinc/18/59/68/564185968.db2.gz GUFKTFWZJXQAJZ-UHFFFAOYSA-N 0 1 384.841 3.116 40 0 GGABMN C[C@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)NC(=O)NC1CCCCC1 ZINC000005017515 564211888 /nfs/dbraw/zinc/21/18/88/564211888.db2.gz NHIAKUXPWCZFAO-JTQLQIEISA-N 0 1 379.511 3.172 40 0 GGABMN CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cc1F ZINC000006553257 564225051 /nfs/dbraw/zinc/22/50/51/564225051.db2.gz MUOSCHJOHMWODL-UHFFFAOYSA-N 0 1 387.230 3.212 40 0 GGABMN Cc1csc2nc(C)c(S(=O)(=O)Nc3ccc(C(C)C)cc3)c(=O)n12 ZINC000006784761 564227293 /nfs/dbraw/zinc/22/72/93/564227293.db2.gz SMGWKHSOFDGAME-UHFFFAOYSA-N 0 1 377.491 3.297 40 0 GGABMN Cc1csc2nc(C)c(S(=O)(=O)Nc3ccc(C)c(Cl)c3)c(=O)n12 ZINC000006823571 564228287 /nfs/dbraw/zinc/22/82/87/564228287.db2.gz DTIJBBYXNBEFOS-UHFFFAOYSA-N 0 1 383.882 3.135 40 0 GGABMN O=S(=O)(Nc1cccc(Cl)c1)c1ccn(S(=O)(=O)c2ccccc2)c1 ZINC000013585710 564277519 /nfs/dbraw/zinc/27/75/19/564277519.db2.gz VTONLWQQOMSTLE-UHFFFAOYSA-N 0 1 396.877 3.179 40 0 GGABMN CCc1[nH]n(-c2ccccc2)c(=O)c1[C@H](NC(C)=O)C(Cl)(Cl)Cl ZINC000016636734 564295234 /nfs/dbraw/zinc/29/52/34/564295234.db2.gz KAXUWSPLXNLZLI-OLZOCXBDSA-N 0 1 376.671 3.290 40 0 GGABMN CCC(CC)[C@@H](CNC(=O)Cc1ccc(Br)cc1)N1CCOCC1 ZINC000022898686 564319700 /nfs/dbraw/zinc/31/97/00/564319700.db2.gz QEWXELHCPOXDRJ-GOSISDBHSA-N 0 1 397.357 3.245 40 0 GGABMN C[C@@H]1CN(C(C)(C)CNC(=O)/C=C/c2cccc(Br)c2)C[C@@H](C)O1 ZINC000023181208 564323402 /nfs/dbraw/zinc/32/34/02/564323402.db2.gz JOOOJPWXZZWYQJ-VMFRVMOISA-N 0 1 395.341 3.466 40 0 GGABMN CC(C)C(=O)NC(=S)Nc1cc(Br)c(O)c(Br)c1 ZINC000032116465 564397076 /nfs/dbraw/zinc/39/70/76/564397076.db2.gz GJESPIURSDTDIK-UHFFFAOYSA-N 0 1 396.104 3.386 40 0 GGABMN Cn1cnnc1-c1ccc(NS(=O)(=O)c2ccccc2Br)cc1 ZINC000032833636 564406620 /nfs/dbraw/zinc/40/66/20/564406620.db2.gz KNHDJVDPPISRFQ-UHFFFAOYSA-N 0 1 393.266 3.045 40 0 GGABMN C[C@@H]1CCCN(CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000032929489 564407620 /nfs/dbraw/zinc/40/76/20/564407620.db2.gz IJJZXJOGELDICT-LLVKDONJSA-N 0 1 384.851 3.369 40 0 GGABMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)sc(=O)n2C ZINC000046017373 564492792 /nfs/dbraw/zinc/49/27/92/564492792.db2.gz QNAITSNHVMWCDI-UHFFFAOYSA-N 0 1 384.866 3.063 40 0 GGABMN NC(=O)c1c(NC(=O)CNCc2ccc(Cl)cc2)sc2c1CCCC2 ZINC000057383568 564666931 /nfs/dbraw/zinc/66/69/31/564666931.db2.gz AYURAOZFAXAJMO-UHFFFAOYSA-N 0 1 377.897 3.108 40 0 GGABMN COc1cc(-c2n[nH]c(-c3ccc(I)cc3)n2)ccc1O ZINC000085384136 564869274 /nfs/dbraw/zinc/86/92/74/564869274.db2.gz QKEVOBVTBTZXNC-UHFFFAOYSA-N 0 1 393.184 3.458 40 0 GGABMN COc1cc(-c2nc(-c3ccc(I)cc3)n[nH]2)ccc1O ZINC000085384136 564869277 /nfs/dbraw/zinc/86/92/77/564869277.db2.gz QKEVOBVTBTZXNC-UHFFFAOYSA-N 0 1 393.184 3.458 40 0 GGABMN CCOC(=O)Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC)cc1 ZINC000223007343 565907628 /nfs/dbraw/zinc/90/76/28/565907628.db2.gz HKQCXGLXXHMELY-UHFFFAOYSA-N 0 1 383.853 3.255 40 0 GGABMN CCn1c2cc(Cl)c(S(=O)(=O)Nc3cccc(OC)c3)cc2oc1=O ZINC000223364255 565908913 /nfs/dbraw/zinc/90/89/13/565908913.db2.gz YOZWIBHRDZAWIX-UHFFFAOYSA-N 0 1 382.825 3.077 40 0 GGABMN CCn1c2cc(C)c(S(=O)(=O)Nc3ccccc3SC)cc2oc1=O ZINC000223357827 565909049 /nfs/dbraw/zinc/90/90/49/565909049.db2.gz JTJYTNRRHUVOQJ-UHFFFAOYSA-N 0 1 378.475 3.446 40 0 GGABMN CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2CC ZINC000225687170 565916462 /nfs/dbraw/zinc/91/64/62/565916462.db2.gz VVUKWGSTDZJAOU-UHFFFAOYSA-N 0 1 378.475 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CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2cnc3ccccc3n2)CC1 ZINC000012219485 570627318 /nfs/dbraw/zinc/62/73/18/570627318.db2.gz ZJQDWGGZKIOTDG-UHFFFAOYSA-N 0 1 378.451 3.396 40 0 GGABMN C[C@@H]1CCCN(CC(=O)N[C@@H]2CC(C)(C)Cc3nc(-c4cccnc4)ncc32)C1 ZINC000012239964 570630138 /nfs/dbraw/zinc/63/01/38/570630138.db2.gz OUYPEXKSSSIRQA-VQIMIIECSA-N 0 1 393.535 3.400 40 0 GGABMN CCc1c(C)nc2cc([C@H]3CC[N@@H+](Cc4cc(OC)ccc4OC)C3)[n-]n2c1=O ZINC000012276370 570632415 /nfs/dbraw/zinc/63/24/15/570632415.db2.gz NCAUVDKRMIWZCQ-HNNXBMFYSA-N 0 1 396.491 3.312 40 0 GGABMN CCc1cc(=O)n2[n-]c([C@@H]3CC[N@@H+](Cc4ccc(OC)c(OC)c4)C3)cc2n1 ZINC000012276577 570632461 /nfs/dbraw/zinc/63/24/61/570632461.db2.gz NGILNXXXAYZKSK-OAHLLOKOSA-N 0 1 382.464 3.004 40 0 GGABMN O=C(Cc1cccc(Cl)c1)NCCN1CCC(O)(c2cccc(F)c2)CC1 ZINC000012290878 570632965 /nfs/dbraw/zinc/63/29/65/570632965.db2.gz SGCLKSVNVBZLIZ-UHFFFAOYSA-N 0 1 390.886 3.121 40 0 GGABMN CCOc1ccc(NC(=O)CN2CCC(n3nnc4cc(F)ccc43)CC2)cc1 ZINC000004895559 570636850 /nfs/dbraw/zinc/63/68/50/570636850.db2.gz KTILTSDFMFSWMI-UHFFFAOYSA-N 0 1 397.454 3.245 40 0 GGABMN Cc1cc(C)cc(NC(=O)CN2CCC(n3nnc4cc(F)ccc43)CC2)c1 ZINC000004895533 570636982 /nfs/dbraw/zinc/63/69/82/570636982.db2.gz DFSBWZQHQWHVQP-UHFFFAOYSA-N 0 1 381.455 3.463 40 0 GGABMN O=C(NCCN1CCC(O)(c2cccc(F)c2)CC1)c1ccc2c(c1)CCC2 ZINC000012326081 570643196 /nfs/dbraw/zinc/64/31/96/570643196.db2.gz VEQKMXZJKANHAO-UHFFFAOYSA-N 0 1 382.479 3.028 40 0 GGABMN Cc1cc(N2CCN(C[C@H](O)c3c[nH]c4ccc(F)cc43)CC2)nc(C(C)C)n1 ZINC000012330411 570644727 /nfs/dbraw/zinc/64/47/27/570644727.db2.gz NOMFZMPLSWOCNL-FQEVSTJZSA-N 0 1 397.498 3.384 40 0 GGABMN O=C(NCCc1nc(-c2cccnc2)n[nH]1)C1(c2ccc(Cl)cc2)CCC1 ZINC000012338269 570645226 /nfs/dbraw/zinc/64/52/26/570645226.db2.gz ZPSCDZNRKUMXPR-UHFFFAOYSA-N 0 1 381.867 3.301 40 0 GGABMN O=C(NCCc1n[nH]c(-c2cccnc2)n1)C1(c2ccc(Cl)cc2)CCC1 ZINC000012338269 570645229 /nfs/dbraw/zinc/64/52/29/570645229.db2.gz ZPSCDZNRKUMXPR-UHFFFAOYSA-N 0 1 381.867 3.301 40 0 GGABMN COc1ccc(-c2[nH]nc3c2[C@@H](c2cc(OC)ccc2OC)N(C)C3=O)cc1 ZINC000004909415 570647978 /nfs/dbraw/zinc/64/79/78/570647978.db2.gz BOECSJZVIUETLI-HXUWFJFHSA-N 0 1 379.416 3.278 40 0 GGABMN COc1ccc(-c2[nH]nc3c2[C@H](c2ccc(OC)cc2OC)N(C)C3=O)cc1 ZINC000004909409 570648031 /nfs/dbraw/zinc/64/80/31/570648031.db2.gz OJWNSYQYBBGJIJ-FQEVSTJZSA-N 0 1 379.416 3.278 40 0 GGABMN O[C@@H](CO[C@@H]1CCCc2ccccc21)CN1CCN(c2ccc(F)cc2)CC1 ZINC000046345864 570671441 /nfs/dbraw/zinc/67/14/41/570671441.db2.gz UVTJLROMYCQFIA-FYYLOGMGSA-N 0 1 384.495 3.403 40 0 GGABMN Cc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000004341996 570677124 /nfs/dbraw/zinc/67/71/24/570677124.db2.gz KVXCGSNMGXBUJS-UHFFFAOYSA-N 0 1 397.456 3.208 40 0 GGABMN Cc1nc2cc([C@H]3CCN(CC(C)(C)C[NH+]4CCCCC4)C3)[n-]n2c(=O)c1C ZINC000012745647 570708035 /nfs/dbraw/zinc/70/80/35/570708035.db2.gz ODJHUILWONQHSY-SFHVURJKSA-N 0 1 385.556 3.353 40 0 GGABMN CCOC(=O)C1=C(CN2c3ccccc3C[C@H]2C)NC(=O)N[C@H]1c1ccccc1 ZINC000104209102 570727290 /nfs/dbraw/zinc/72/72/90/570727290.db2.gz UOKGJHDMNLFHTN-VFNWGFHPSA-N 0 1 391.471 3.309 40 0 GGABMN COc1cc2nc(CN3CCC[C@@H]3Cc3ccccc3)[nH]c(=O)c2cc1OC ZINC000025440360 570752005 /nfs/dbraw/zinc/75/20/05/570752005.db2.gz XQJJGUBRZVKSGW-MRXNPFEDSA-N 0 1 379.460 3.147 40 0 GGABMN CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OC)cc1OCC ZINC000007361196 570758175 /nfs/dbraw/zinc/75/81/75/570758175.db2.gz UNEDCWJQHGCYEL-UHFFFAOYSA-N 0 1 379.434 3.071 40 0 GGABMN CN(C)[C@H](CNC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)c1cccs1 ZINC000023018283 570801607 /nfs/dbraw/zinc/80/16/07/570801607.db2.gz NREXKLWZKCEPNZ-LSDHHAIUSA-N 0 1 391.562 3.081 40 0 GGABMN Cc1cccc2cc([C@@H](c3nnnn3C(C)(C)C)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c12 ZINC000013454112 570847625 /nfs/dbraw/zinc/84/76/25/570847625.db2.gz SRZVOGCKFADUOL-KUHUBIRLSA-N 0 1 394.523 3.399 40 0 GGABMN CCc1ccc(NS(=O)(=O)c2ccn(S(=O)(=O)c3ccccc3)c2)cc1 ZINC000013585698 570852891 /nfs/dbraw/zinc/85/28/91/570852891.db2.gz IOMRTDLBNYMLPF-UHFFFAOYSA-N 0 1 390.486 3.088 40 0 GGABMN Cc1cc(C)n(C[C@H](O)CN(Cc2ccco2)Cc2ccc3c(c2)C[C@@H](C)O3)n1 ZINC000013992032 570868970 /nfs/dbraw/zinc/86/89/70/570868970.db2.gz GFXPYYOCXHYASD-WIYYLYMNSA-N 0 1 395.503 3.480 40 0 GGABMN CCCN1CCN([C@@H](c2nnnn2C(C)(C)C)c2ccc3ncccc3c2)CC1 ZINC000019503463 570927320 /nfs/dbraw/zinc/92/73/20/570927320.db2.gz ZVKMUKHODHHJRM-HXUWFJFHSA-N 0 1 393.539 3.093 40 0 GGABMN CCOc1ccc([C@H](c2nnnn2C2CCCCC2)N2CCN(CC)CC2)cc1 ZINC000019528030 570928327 /nfs/dbraw/zinc/92/83/27/570928327.db2.gz PYDDFPCASNNKMB-OAQYLSRUSA-N 0 1 398.555 3.304 40 0 GGABMN Cc1noc(C)c1CN1CCOC[C@@]2(CC(=O)N([C@H](C)c3ccccc3)C2)C1 ZINC000585104061 570930171 /nfs/dbraw/zinc/93/01/71/570930171.db2.gz IGLVYDQRMDYHME-VGSWGCGISA-N 0 1 383.492 3.104 40 0 GGABMN COc1cccc2cc(C(=O)N3CCC[C@@]4(CCN4C[C@@H]4CCCO4)C3)oc21 ZINC000585102339 570930644 /nfs/dbraw/zinc/93/06/44/570930644.db2.gz XJPRYEQKSNXINP-HTAPYJJXSA-N 0 1 384.476 3.301 40 0 GGABMN Cc1ccc(CC(=O)N2C[C@H]3OC[C@H](COc4cc(C)nc(C)c4)[C@H]3C2)cc1 ZINC000585108643 570940617 /nfs/dbraw/zinc/94/06/17/570940617.db2.gz ZOILUIVQGGDBTM-KSEOMHKRSA-N 0 1 380.488 3.102 40 0 GGABMN CC(=O)c1cc2c(cc1NC(=O)c1ccc(CSc3cn[nH]n3)cc1)OCO2 ZINC000004391086 570973385 /nfs/dbraw/zinc/97/33/85/570973385.db2.gz FQZQDDWWBHWSPH-UHFFFAOYSA-N 0 1 396.428 3.281 40 0 GGABMN O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)NC1CCCC1 ZINC000023253911 570996740 /nfs/dbraw/zinc/99/67/40/570996740.db2.gz APNNFOIGZIFNME-UHFFFAOYSA-N 0 1 377.532 3.452 40 0 GGABMN CCCN1CC[N@@H+](CC(=O)[O-])C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O ZINC000585183637 571000755 /nfs/dbraw/zinc/00/07/55/571000755.db2.gz XIYNDRPMPAAZHN-NRFANRHFSA-N 0 1 394.515 3.460 40 0 GGABMN C[C@H](NC(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccc(F)cc1 ZINC000012761239 571011469 /nfs/dbraw/zinc/01/14/69/571011469.db2.gz UDAZDFGNIYHMKH-FUHWJXTLSA-N 0 1 383.467 3.354 40 0 GGABMN C[N@H+]1CCC[C@@H](CNc2ccc(C(=O)[O-])nn2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000563205827 600396366 /nfs/dbraw/zinc/39/63/66/600396366.db2.gz WEJLFFAXQAKIOP-SUMWQHHRSA-N 0 1 394.397 3.111 40 0 GGABMN CCOC(=O)C1=C(C(F)(F)F)NC(=S)N[C@@H]1c1ccccc1OC(F)F ZINC000003194087 1398327906 /nfs/dbraw/zinc/32/79/06/1398327906.db2.gz NQJDBAJNXLIAAH-SNVBAGLBSA-N 0 1 396.337 3.186 40 0 GGABMN O[C@H](COCCC12CC3CC(CC(C3)C1)C2)CN1CCN(c2ccccn2)CC1 ZINC000004173797 1398382424 /nfs/dbraw/zinc/38/24/24/1398382424.db2.gz HXOPXARTNLIXMY-NRXKURHUSA-N 0 1 399.579 3.188 40 0 GGABMN O[C@@H](COCCC12CC3CC(CC(C3)C1)C2)CN1CCN(c2ccccn2)CC1 ZINC000004173798 1398382567 /nfs/dbraw/zinc/38/25/67/1398382567.db2.gz HXOPXARTNLIXMY-JOFGVTMCSA-N 0 1 399.579 3.188 40 0 GGABMN O=c1[nH]c2ccccc2nc1-c1ccccc1NS(=O)(=O)c1ccccc1 ZINC000004270523 1398388510 /nfs/dbraw/zinc/38/85/10/1398388510.db2.gz NWSQNBYPQMUAQH-UHFFFAOYSA-N 0 1 377.425 3.391 40 0 GGABMN CC(=O)Nc1cccc(-c2n[nH]c(Sc3ccc([N+](=O)[O-])cc3C=O)n2)c1 ZINC000007610258 1398713275 /nfs/dbraw/zinc/71/32/75/1398713275.db2.gz TXNQZFGZSOMFCG-UHFFFAOYSA-N 0 1 383.389 3.302 40 0 GGABMN CC(=O)Nc1cccc(-c2n[nH]c(SCC(=O)Nc3ccc(F)cc3)n2)c1 ZINC000007610219 1398713350 /nfs/dbraw/zinc/71/33/50/1398713350.db2.gz CHRIEKFREASALL-UHFFFAOYSA-N 0 1 385.424 3.300 40 0 GGABMN CC(=O)N[C@H](CC(=O)NC[C@@H](c1ccco1)N1CCCCC1)c1ccccc1 ZINC000008393964 1398828087 /nfs/dbraw/zinc/82/80/87/1398828087.db2.gz NNMSSRILSIHDNQ-UXHICEINSA-N 0 1 383.492 3.190 40 0 GGABMN N#Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)o2)cc1 ZINC000008477500 1398833659 /nfs/dbraw/zinc/83/36/59/1398833659.db2.gz VQFITILCXIKQSP-GZTJUZNOSA-N 0 1 375.384 3.223 40 0 GGABMN C=CCc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(OCC)c1OC ZINC000008477304 1398833667 /nfs/dbraw/zinc/83/36/67/1398833667.db2.gz KDDUFKXOUDFSOB-SFQUDFHCSA-N 0 1 398.459 3.227 40 0 GGABMN Cc1nc(-c2ccc(F)cc2)cc([C@H]2C[N@H+]3CC[C@H]2C[C@@H]3CNC(=O)C2CC2)n1 ZINC000008622945 1398842171 /nfs/dbraw/zinc/84/21/71/1398842171.db2.gz RKGJHBGFKZZFFP-SXLOBPIMSA-N 0 1 394.494 3.295 40 0 biogenic,in-vitro GGABMN Cc1nc(-c2ccc(F)cc2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)C2CC2)n1 ZINC000008622945 1398842172 /nfs/dbraw/zinc/84/21/72/1398842172.db2.gz RKGJHBGFKZZFFP-SXLOBPIMSA-N 0 1 394.494 3.295 40 0 biogenic,in-vitro GGABMN COc1cn(CC(=O)Nc2ccc(C)cc2C)c(CN2CCCCCC2)cc1=O ZINC000009622039 1398861318 /nfs/dbraw/zinc/86/13/18/1398861318.db2.gz HJESKFUEFURRAI-UHFFFAOYSA-N 0 1 397.519 3.488 40 0 GGABMN COc1ccccc1-c1n[nH]c(SCC(=O)Nc2ccc(C(C)=O)cc2)n1 ZINC000010475520 1398895720 /nfs/dbraw/zinc/89/57/20/1398895720.db2.gz VZFVEGDUJIYDTL-UHFFFAOYSA-N 0 1 382.445 3.414 40 0 GGABMN CCN(Cc1ccnc(N2CCCC2)n1)[C@@H]1CN(C(C)=O)C2(C1)CCCCC2 ZINC000019703898 1399335658 /nfs/dbraw/zinc/33/56/58/1399335658.db2.gz MHSQKJDYYHFUCF-FQEVSTJZSA-N 0 1 385.556 3.222 40 0 GGABMN COCCC(=O)N1CCC[C@@H]1c1cc(C(F)(F)F)c2c(n[nH]c2NC(C)C)n1 ZINC000019742565 1399337863 /nfs/dbraw/zinc/33/78/63/1399337863.db2.gz FHMIQQNBGOMBCK-CYBMUJFWSA-N 0 1 399.417 3.497 40 0 GGABMN COCC(=O)N1CCC[C@@H]1c1cc(C(F)(F)F)c2c(n[nH]c2NC(C)C)n1 ZINC000019742551 1399338144 /nfs/dbraw/zinc/33/81/44/1399338144.db2.gz VDDBIBQZPYQPPA-GFCCVEGCSA-N 0 1 385.390 3.107 40 0 GGABMN CC(C)N1C=C(Cc2cccnc2)C2=C(C1)[C@@H](c1cccnc1)C(C#N)=C(N)O2 ZINC000020459274 1399347347 /nfs/dbraw/zinc/34/73/47/1399347347.db2.gz XNAYCMLCXNHTJB-NRFANRHFSA-N 0 1 385.471 3.389 40 0 GGABMN COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)N2CCCCC2)cc1 ZINC000026772235 1399932375 /nfs/dbraw/zinc/93/23/75/1399932375.db2.gz LHMSIOPVCHUMCJ-AKIFATBCSA-N 0 1 386.536 3.376 40 0 biogenic GGABMN CCOC(=O)C1CCN(C[C@H](O)COc2ccc(OC)cc2C(C)(C)C)CC1 ZINC000026781144 1399933402 /nfs/dbraw/zinc/93/34/02/1399933402.db2.gz WNPJRJNBCLWBGY-KRWDZBQOSA-N 0 1 393.524 3.008 40 0 GGABMN CCCC1C=C2C(c3ccccc3)=CC(=O)O[C@@H]2[C@H](CN2CCN(C)CC2)C1=O ZINC000026920187 1399952516 /nfs/dbraw/zinc/95/25/16/1399952516.db2.gz SPWXEQVWOOYPJD-QPPBQGQZSA-N 0 1 394.515 3.411 40 0 GGABMN O=C(c1cc(C(F)(F)F)[nH]n1)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000028234845 1400141817 /nfs/dbraw/zinc/14/18/17/1400141817.db2.gz TXTOFLPXNQKKNI-UHFFFAOYSA-N 0 1 390.768 3.179 40 0 GGABMN CC(C)NC(=O)Cc1ccc(NC(=O)[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000057169566 1407543143 /nfs/dbraw/zinc/54/31/43/1407543143.db2.gz XLRSLVZGPXEWFK-OAQYLSRUSA-N 0 1 379.504 3.357 40 0 GGABMN CC(C)(C)OC(=O)N1CCN(Cc2n[nH]c(-c3cccc(Cl)c3)n2)CC1 ZINC000064875415 1408623425 /nfs/dbraw/zinc/62/34/25/1408623425.db2.gz LLWUZDATMUVMKG-UHFFFAOYSA-N 0 1 377.876 3.178 40 0 GGABMN CC(C)(C)OC(=O)N1CCN(Cc2nc(-c3cccc(Cl)c3)n[nH]2)CC1 ZINC000064875415 1408623429 /nfs/dbraw/zinc/62/34/29/1408623429.db2.gz LLWUZDATMUVMKG-UHFFFAOYSA-N 0 1 377.876 3.178 40 0 GGABMN CCOc1ccc(-c2nnc([C@@H](N)c3ccc(OCC)c(OC)c3)[nH]2)cc1OC ZINC000095534347 1410315154 /nfs/dbraw/zinc/31/51/54/1410315154.db2.gz FQLXHIZBDSBJQN-IBGZPJMESA-N 0 1 398.463 3.334 40 0 GGABMN CCOc1ccc([C@@H](N)c2nnc(-c3ccc(OC)c(OCC)c3)[nH]2)cc1OC ZINC000095534343 1410315169 /nfs/dbraw/zinc/31/51/69/1410315169.db2.gz GPPCEWCNEDGKPF-LJQANCHMSA-N 0 1 398.463 3.334 40 0 GGABMN C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1cnn(C(C)(C)C)c1 ZINC000189982598 1432299068 /nfs/dbraw/zinc/29/90/68/1432299068.db2.gz IUEVEVGVLOOHPE-MRXNPFEDSA-N 0 1 390.553 3.371 40 0 GGABMN C[C@H]1CCCN(CC(=O)N[C@H]2CC(C)(C)Cc3nc(-c4cccnc4)ncc32)C1 ZINC000247924486 1433756529 /nfs/dbraw/zinc/75/65/29/1433756529.db2.gz OUYPEXKSSSIRQA-LPHOPBHVSA-N 0 1 393.535 3.400 40 0 GGABMN Cc1ccc(NC(=O)c2cccc(C(=O)[O-])c2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000571881347 974737866 /nfs/dbraw/zinc/73/78/66/974737866.db2.gz PYJSITUZQJYHLR-UHFFFAOYSA-N 0 1 395.459 3.370 40 0 GGABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)N2CCCC2)cc1 ZINC000408590687 231071375 /nfs/dbraw/zinc/07/13/75/231071375.db2.gz KIXLZHJGVBVMFH-UHFFFAOYSA-N 0 1 389.477 3.432 40 0 GGABMN Cc1ccccc1C(=O)N1CC[NH+]([C@@H](CCC(=O)[O-])c2ccc(F)cc2)CC1 ZINC000408603020 231076429 /nfs/dbraw/zinc/07/64/29/231076429.db2.gz AHSNOQBHAYRVAV-FQEVSTJZSA-N 0 1 384.451 3.498 40 0 GGABMN COC[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC000408609643 231078400 /nfs/dbraw/zinc/07/84/00/231078400.db2.gz PLEWYSHUDIIQSM-CYBMUJFWSA-N 0 1 396.896 3.214 40 0 GGABMN COCCN1C(=O)S/C(=C/c2cc(Cl)cc(Br)c2O)C1=O ZINC000409140908 231170905 /nfs/dbraw/zinc/17/09/05/231170905.db2.gz FPCIKEINTHBNTG-BJMVGYQFSA-N 0 1 392.658 3.491 40 0 GGABMN CN(C)C(=O)c1sc2nc([C@H]3CCCN3Cc3ccccn3)ccc2c1N ZINC000257266604 222766720 /nfs/dbraw/zinc/76/67/20/222766720.db2.gz MDRLDEPGUDPPHY-MRXNPFEDSA-N 0 1 381.505 3.312 40 0 GGABMN Cc1c[nH]c(-c2cncc(C[C@H]3CCC[N@@H+](Cc4ccc(C(=O)[O-])cc4)C3)n2)n1 ZINC000257285458 222770094 /nfs/dbraw/zinc/77/00/94/222770094.db2.gz PHDIHIMKPCTXHF-QGZVFWFLSA-N 0 1 391.475 3.328 40 0 GGABMN CCn1cc(CN2CCC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)cn1 ZINC000306137172 222800479 /nfs/dbraw/zinc/80/04/79/222800479.db2.gz QNMGGIKEIUWDHX-FQEVSTJZSA-N 0 1 387.491 3.387 40 0 GGABMN Cc1cccc(CN2CCN(c3nccn4c(-c5ccncc5)cnc34)CC2)c1 ZINC000306132828 222799214 /nfs/dbraw/zinc/79/92/14/222799214.db2.gz LTHFNWJOBXUGSH-UHFFFAOYSA-N 0 1 384.487 3.422 40 0 GGABMN O=C([C@H](Sc1nc(-c2cccs2)n[nH]1)c1ccccc1)N1CCOCC1 ZINC000010217217 212238966 /nfs/dbraw/zinc/23/89/66/212238966.db2.gz RBXHKJMIQUPDAT-OAHLLOKOSA-N 0 1 386.502 3.225 40 0 GGABMN O=C([C@@H](Sc1nc(-c2cccs2)n[nH]1)c1ccccc1)N1CCOCC1 ZINC000010217215 212238258 /nfs/dbraw/zinc/23/82/58/212238258.db2.gz RBXHKJMIQUPDAT-HNNXBMFYSA-N 0 1 386.502 3.225 40 0 GGABMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000001027050 212207559 /nfs/dbraw/zinc/20/75/59/212207559.db2.gz XVBWPTXLCUMVRE-UHFFFAOYSA-N 0 1 377.340 3.403 40 0 GGABMN CCCn1c(=O)cc(O)nc1SCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000009508276 212192783 /nfs/dbraw/zinc/19/27/83/212192783.db2.gz OFLYQNNEJJGGNZ-UHFFFAOYSA-N 0 1 378.841 3.355 40 0 GGABMN CN1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2N)CC1 ZINC000226263326 212114920 /nfs/dbraw/zinc/11/49/20/212114920.db2.gz FSHNIUCYHMVKGF-UHFFFAOYSA-N 0 1 389.297 3.035 40 0 GGABMN CCCCOc1cccc(C(=O)Nc2ccc(N3CCN(C)CC3)c(N)c2)c1 ZINC000226263696 212114218 /nfs/dbraw/zinc/11/42/18/212114218.db2.gz ASZOLAHVSFRJGV-UHFFFAOYSA-N 0 1 382.508 3.452 40 0 GGABMN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)cc(Cl)c2O)C1=O ZINC000409095461 533200539 /nfs/dbraw/zinc/20/05/39/533200539.db2.gz 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/nfs/dbraw/zinc/17/45/98/221174598.db2.gz LSEPSQWLEXFPMG-UHFFFAOYSA-N 0 1 380.423 3.014 40 0 GGABMN CC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 ZINC000012521107 221201711 /nfs/dbraw/zinc/20/17/11/221201711.db2.gz BWRVDHGDKWNYRR-AWEZNQCLSA-N 0 1 376.478 3.333 40 0 GGABMN CC(C)c1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000013018493 221257737 /nfs/dbraw/zinc/25/77/37/221257737.db2.gz KGLCCHUQTZFUQB-LSDHHAIUSA-N 0 1 389.521 3.135 40 0 GGABMN COc1ncc(CN2CCC(c3cc(=O)[nH]c(-c4cccc(C)c4)n3)CC2)cn1 ZINC000013227605 221263957 /nfs/dbraw/zinc/26/39/57/221263957.db2.gz LMGQAZQZDNYUPA-UHFFFAOYSA-N 0 1 391.475 3.336 40 0 GGABMN Cc1ccc(NC(=O)[C@H]2C=C([O-])NC(Nc3cccc(C(F)(F)F)c3)=[NH+]2)cc1 ZINC000014607663 221312986 /nfs/dbraw/zinc/31/29/86/221312986.db2.gz MDAAVSVFIMPYEF-OAHLLOKOSA-N 0 1 390.365 3.309 40 0 GGABMN CCOc1cc(/C=C2\NC(=O)NC2=O)cc(Br)c1O[C@@H](C)CC ZINC000015012870 221326754 /nfs/dbraw/zinc/32/67/54/221326754.db2.gz NLPPXAWAXMCPPW-PPLKPFPSSA-N 0 1 383.242 3.205 40 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ZINC000019085590 221396788 /nfs/dbraw/zinc/39/67/88/221396788.db2.gz LQCDTCCMWPRWDX-IBGZPJMESA-N 0 1 397.523 3.055 40 0 GGABMN O=C(Nc1ccc2nc[nH]c2c1)c1cc([C@@H]2CCCN(C(=O)C3CCC3)C2)no1 ZINC000019346198 221408866 /nfs/dbraw/zinc/40/88/66/221408866.db2.gz SJUVYWOGTHBHBO-CQSZACIVSA-N 0 1 393.447 3.309 40 0 GGABMN COCCN1C(=O)S/C(=C\c2cc(Br)cc(Cl)c2O)C1=O ZINC000409139223 533340828 /nfs/dbraw/zinc/34/08/28/533340828.db2.gz BRZASYODIZUAMO-YHYXMXQVSA-N 0 1 392.658 3.491 40 0 GGABMN COc1cccc(NS(=O)(=O)c2cc3c(C)cc(=O)[nH]c3cc2Cl)c1 ZINC000217433767 533619295 /nfs/dbraw/zinc/61/92/95/533619295.db2.gz YQMCQYQQAMMQGX-UHFFFAOYSA-N 0 1 378.837 3.299 40 0 GGABMN Cc1ccc(C)c(N2CCN(C[C@@H](O)c3ccc4c(c3)OCCCO4)CC2)c1 ZINC000057822913 136154041 /nfs/dbraw/zinc/15/40/41/136154041.db2.gz WYDASPDHDAFRFS-OAQYLSRUSA-N 0 1 382.504 3.320 40 0 GGABMN CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000113959302 136192069 /nfs/dbraw/zinc/19/20/69/136192069.db2.gz OMGMYMOXAJJUHP-IBGZPJMESA-N 0 1 383.492 3.243 40 0 GGABMN CCC(=O)c1ccc(OCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000005089674 136194545 /nfs/dbraw/zinc/19/45/45/136194545.db2.gz IOPXQZHRXRERAG-UHFFFAOYSA-N 0 1 381.476 3.049 40 0 GGABMN COc1ccc(S(=O)(=O)Nc2cnn(Cc3cccc(Cl)c3)c2)cc1 ZINC000028220621 221670487 /nfs/dbraw/zinc/67/04/87/221670487.db2.gz QNPMMYSFQJAXFA-UHFFFAOYSA-N 0 1 377.853 3.394 40 0 GGABMN C[C@@H](CNC(=O)c1cc(Br)c(Br)s1)N1CCCC1 ZINC000042503350 221943686 /nfs/dbraw/zinc/94/36/86/221943686.db2.gz OFTRRSZNGPUQRR-QMMMGPOBSA-N 0 1 396.148 3.487 40 0 GGABMN COC(=O)C1C(CN2C[C@H](C)C[C@H](C)C2)=NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000049946941 222003137 /nfs/dbraw/zinc/00/31/37/222003137.db2.gz QMNXGBKRHCNDKP-QEEYODRMSA-N 0 1 385.508 3.062 40 0 GGABMN O=C(c1ccc2[nH]nnc2c1)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000058163066 222042550 /nfs/dbraw/zinc/04/25/50/222042550.db2.gz VOZZZAAFZRSKNR-CQSZACIVSA-N 0 1 392.394 3.167 40 0 GGABMN COC(=O)c1cc(OC)ccc1NS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000060065989 222058294 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CC(C)c1ccc(OCCc2cc([C@@H]3CCN(CC(=O)N(C)C)C3)[nH]n2)cc1 ZINC000072371355 222243248 /nfs/dbraw/zinc/24/32/48/222243248.db2.gz HWKJZDBHBZJGGU-GOSISDBHSA-N 0 1 384.524 3.032 40 0 GGABMN CC(C)c1ccc(OCCc2cc([C@@H]3CCN(CC(=O)N(C)C)C3)n[nH]2)cc1 ZINC000072371355 222243249 /nfs/dbraw/zinc/24/32/49/222243249.db2.gz HWKJZDBHBZJGGU-GOSISDBHSA-N 0 1 384.524 3.032 40 0 GGABMN CN1CCn2c(nnc2[C@@H]2CCCN2C(=O)C2(c3cccc(F)c3)CCCC2)C1 ZINC000072373906 222243370 /nfs/dbraw/zinc/24/33/70/222243370.db2.gz OIXIBYAWHZXXGC-SFHVURJKSA-N 0 1 397.498 3.038 40 0 GGABMN CN1CCn2c(nnc2[C@@H]2CCCN2C(=O)C2(c3ccccc3F)CCCC2)C1 ZINC000072373904 222243397 /nfs/dbraw/zinc/24/33/97/222243397.db2.gz JVRZBSBEJZPRBM-SFHVURJKSA-N 0 1 397.498 3.038 40 0 GGABMN O=C(c1cc([C@H]2CCCCN2CCCc2ccccc2)[nH]n1)N1CCOCC1 ZINC000072380626 222243914 /nfs/dbraw/zinc/24/39/14/222243914.db2.gz WIKMIRUDKXZDNI-OAQYLSRUSA-N 0 1 382.508 3.042 40 0 GGABMN COc1ccc(OCCc2cc([C@H]3CCN(C(=O)c4cccnc4)C3)n[nH]2)cc1 ZINC000072378148 222244006 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biogenic,in-vitro GGABMN O=C([O-])C[C@@H]1CC[N@@H+](Cc2cccc(F)c2)C[C@@H]1Cc1nc2cc[nH]cc-2n1 ZINC000514288589 560034497 /nfs/dbraw/zinc/03/44/97/560034497.db2.gz CZUMRUCBZKJUHI-HOTGVXAUSA-N 0 1 382.439 3.253 40 0 biogenic,in-vitro GGABMN COc1ccc(Br)cc1S(=O)(=O)Nc1ccc2c[nH]nc2c1 ZINC000007050502 564230935 /nfs/dbraw/zinc/23/09/35/564230935.db2.gz WMKBFTQJNARTKM-UHFFFAOYSA-N 0 1 382.239 3.135 40 0 GGABMN COc1cc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)ccc1F ZINC000008480212 564249811 /nfs/dbraw/zinc/24/98/11/564249811.db2.gz ZEQAYHBRXRTFLK-UHFFFAOYSA-N 0 1 375.805 3.306 40 0 GGABMN CCOC(=O)C1CCN(C(=O)CSc2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000009927161 564254867 /nfs/dbraw/zinc/25/48/67/564254867.db2.gz REVAGLDWGFODLY-UHFFFAOYSA-N 0 1 381.885 3.110 40 0 GGABMN Cc1cn2c(nc(C)c(S(=O)(=O)Nc3ccc(C(C)C)cc3)c2=O)s1 ZINC000020922081 564308020 /nfs/dbraw/zinc/30/80/20/564308020.db2.gz XIIYRALMGFTHQN-UHFFFAOYSA-N 0 1 377.491 3.297 40 0 GGABMN O=C(CN1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1)Nc1nccs1 ZINC000035291785 564415262 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3.447 40 0 GGABMN COc1cc(OC)cc(-c2n[nH]c(SCC(=O)N(C)c3ccccc3)n2)c1 ZINC000019928991 570230509 /nfs/dbraw/zinc/23/05/09/570230509.db2.gz PFQDPVHYKBFWEV-UHFFFAOYSA-N 0 1 384.461 3.244 40 0 GGABMN Cc1nnc(SCc2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2)[nH]1 ZINC000020293640 570251834 /nfs/dbraw/zinc/25/18/34/570251834.db2.gz MWJATCPIUSXYMM-UHFFFAOYSA-N 0 1 382.445 3.429 40 0 GGABMN Cc1n[nH]c(SCc2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2)n1 ZINC000020293640 570251836 /nfs/dbraw/zinc/25/18/36/570251836.db2.gz MWJATCPIUSXYMM-UHFFFAOYSA-N 0 1 382.445 3.429 40 0 GGABMN Cn1cnc(CN2CCC[C@@H](c3ccc(-c4noc(C(F)(F)F)n4)cn3)C2)c1 ZINC000585288900 570256701 /nfs/dbraw/zinc/25/67/01/570256701.db2.gz AMIAEDSSMUWVFE-CYBMUJFWSA-N 0 1 392.385 3.264 40 0 GGABMN FC(F)(F)c1nc(-c2cc([C@@H]3CCC[N@@H+](Cc4cncnc4)C3)ccn2)no1 ZINC000585289936 570257831 /nfs/dbraw/zinc/25/78/31/570257831.db2.gz NKBICEKOONVGEB-CQSZACIVSA-N 0 1 390.369 3.320 40 0 GGABMN OC[C@@H]1[C@H](O)[C@@H](c2ccc(Cl)cc2)CN1Cc1cccc(Br)c1 ZINC000585292706 570260769 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XDXQYPDYVRUZNA-OVCLIPMQSA-N 0 1 397.387 3.100 40 0 GGABMN Cc1c(C)c(N2CCCC2)ccc1/C=C1\C(=O)NC(=O)N(C2CCCC2)C1=O ZINC000007495365 1398690499 /nfs/dbraw/zinc/69/04/99/1398690499.db2.gz SDNWJVVIDQVFIM-QGOAFFKASA-N 0 1 381.476 3.308 40 0 GGABMN COc1ccc(C(=O)CSc2nc(-c3ccc(NC(C)=O)cc3)n[nH]2)cc1 ZINC000007604967 1398712235 /nfs/dbraw/zinc/71/22/35/1398712235.db2.gz NAHZHVYXTDCJDQ-UHFFFAOYSA-N 0 1 382.445 3.414 40 0 GGABMN COc1ccc(NC(=O)CSc2nc(-c3ccc(NC(C)=O)cc3)n[nH]2)cc1 ZINC000007605010 1398712416 /nfs/dbraw/zinc/71/24/16/1398712416.db2.gz OPSODWMPDQDUHL-UHFFFAOYSA-N 0 1 397.460 3.170 40 0 GGABMN CC(=O)Nc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(C)cc3)n2)cc1 ZINC000007605321 1398712436 /nfs/dbraw/zinc/71/24/36/1398712436.db2.gz YTCVDNSPSCZMMB-UHFFFAOYSA-N 0 1 381.461 3.469 40 0 GGABMN COc1ccc(/C=C/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1 ZINC000008116287 1398805610 /nfs/dbraw/zinc/80/56/10/1398805610.db2.gz VBJCMRBITALSNK-OWRQJNCQSA-N 0 1 394.452 3.091 40 0 GGABMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OC ZINC000008477292 1398833629 /nfs/dbraw/zinc/83/36/29/1398833629.db2.gz ISLYELQJROQDID-MDWZMJQESA-N 0 1 392.839 3.152 40 0 GGABMN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OCC ZINC000008477258 1398833698 /nfs/dbraw/zinc/83/36/98/1398833698.db2.gz VLXOVUSSESDFIU-FOWTUZBSSA-N 0 1 384.432 3.055 40 0 GGABMN CC(C)NC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(C2CCCCC2)nn1C ZINC000012602067 1399050458 /nfs/dbraw/zinc/05/04/58/1399050458.db2.gz NREAIRDFHMJAIR-OTWHNJEPSA-N 0 1 387.572 3.353 40 0 biogenic,in-vitro GGABMN COc1ccc(OC)c(S(=O)(=O)Nc2cnn(Cc3ccccc3C)c2)c1 ZINC000014224846 1399093720 /nfs/dbraw/zinc/09/37/20/1399093720.db2.gz ZQUBZQVHFOZVBP-UHFFFAOYSA-N 0 1 387.461 3.058 40 0 GGABMN Cc1ncc(CN2CCC[C@H]([C@@H](NC(=O)C3CCCC3)c3ccccn3)C2)cn1 ZINC000019287220 1399329127 /nfs/dbraw/zinc/32/91/27/1399329127.db2.gz AUUNEHWRMHNJAC-RBBKRZOGSA-N 0 1 393.535 3.440 40 0 GGABMN C[C@@H]1CN(CCC(=O)N2CCC[C@@H](c3nc4ccccc4cc3N)C2)C[C@H](C)O1 ZINC000019497499 1399330858 /nfs/dbraw/zinc/33/08/58/1399330858.db2.gz ABIRWLQPCALRDR-ZIFCJYIRSA-N 0 1 396.535 3.022 40 0 GGABMN CN(C)Cc1cnc2ccnn2c1CC1CCN(C(=O)CC2CCCC2)CC1 ZINC000019704750 1399335296 /nfs/dbraw/zinc/33/52/96/1399335296.db2.gz VKZYGWWRYLDSPY-UHFFFAOYSA-N 0 1 383.540 3.152 40 0 GGABMN CCN(Cc1ccnc(N2CCCC2)n1)[C@H]1CN(C(C)=O)C2(C1)CCCCC2 ZINC000019703899 1399335435 /nfs/dbraw/zinc/33/54/35/1399335435.db2.gz MHSQKJDYYHFUCF-HXUWFJFHSA-N 0 1 385.556 3.222 40 0 GGABMN CC(C)c1cc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3NC(=O)CCCC[C@H]32)n[nH]1 ZINC000019712817 1399336524 /nfs/dbraw/zinc/33/65/24/1399336524.db2.gz AGLLFADHSKFZKS-SCWSEQNSSA-N 0 1 398.482 3.339 40 0 GGABMN CCc1ncc(CN2C[C@@H](c3cccc(F)c3)[C@@H]3NC(=O)CCCC[C@H]32)cn1 ZINC000019712862 1399336853 /nfs/dbraw/zinc/33/68/53/1399336853.db2.gz CYKOECJLFZMQIC-JQVVWYNYSA-N 0 1 382.483 3.205 40 0 GGABMN O=C(c1cc(C2CC2)[nH]n1)N1C[C@@H](c2cccc(F)c2)[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019712827 1399336869 /nfs/dbraw/zinc/33/68/69/1399336869.db2.gz OROPSCNHMVOBPZ-SCWSEQNSSA-N 0 1 396.466 3.093 40 0 GGABMN Cc1cc(C)cc(NC(=O)CSc2nc3c(c(=O)[n-]2)C[N@H+](C(C)C)CC3)c1 ZINC000020467805 1399347204 /nfs/dbraw/zinc/34/72/04/1399347204.db2.gz VTLSCHGOANSFGE-UHFFFAOYSA-N 0 1 386.521 3.296 40 0 GGABMN Cc1cc(C)cc(NC(=O)CSc2nc3c(c(=O)[n-]2)C[N@@H+](C(C)C)CC3)c1 ZINC000020467805 1399347207 /nfs/dbraw/zinc/34/72/07/1399347207.db2.gz VTLSCHGOANSFGE-UHFFFAOYSA-N 0 1 386.521 3.296 40 0 GGABMN CCOC(=O)C1CCN(C(=O)C2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000027911256 1400104774 /nfs/dbraw/zinc/10/47/74/1400104774.db2.gz UYYGZYKAOCDUKT-UHFFFAOYSA-N 0 1 392.927 3.354 40 0 GGABMN CN1CCN(c2ccc(Cl)cc2NC(=O)Cc2noc3ccccc32)CC1 ZINC000028246965 1400143178 /nfs/dbraw/zinc/14/31/78/1400143178.db2.gz NAMXBDKWLWRWNN-UHFFFAOYSA-N 0 1 384.867 3.414 40 0 GGABMN CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN1CCCCCC1 ZINC000057585070 1407658748 /nfs/dbraw/zinc/65/87/48/1407658748.db2.gz NAFOFNPELWZTFF-UHFFFAOYSA-N 0 1 378.542 3.073 40 0 GGABMN CCOc1ccc(-c2nnc([C@H](N)c3ccc(OC)c(OCC)c3)[nH]2)cc1OC ZINC000095534490 1410315136 /nfs/dbraw/zinc/31/51/36/1410315136.db2.gz DZYSPXCWHNGHKD-LJQANCHMSA-N 0 1 398.463 3.334 40 0 GGABMN C[N@@H+]1C[C@H]2c3cc(Cl)ccc3Oc3ccc(OS(=O)(=O)[O-])cc3[C@@H]2C1 ZINC000216129504 1433362675 /nfs/dbraw/zinc/36/26/75/1433362675.db2.gz MFUYPKMLVSJPJJ-GJZGRUSLSA-N 0 1 381.837 3.440 40 0 GGABMN C[N@H+]1C[C@H]2c3cc(Cl)ccc3Oc3ccc(OS(=O)(=O)[O-])cc3[C@@H]2C1 ZINC000216129504 1433362679 /nfs/dbraw/zinc/36/26/79/1433362679.db2.gz MFUYPKMLVSJPJJ-GJZGRUSLSA-N 0 1 381.837 3.440 40 0 GGABMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000263412658 1434005877 /nfs/dbraw/zinc/00/58/77/1434005877.db2.gz VGEMIQADHVWLCM-SZMVWBNQSA-N 0 1 393.915 3.167 40 0 GGABMN