smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000186970301 837509938 /nfs/dbraw/zinc/50/99/38/837509938.db2.gz RCLFZEKFQLLOTP-INIZCTEOSA-N -1 1 375.425 3.663 50 0 GHAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3ccc(F)cc3)cc2)cc1 ZINC000002628742 861439100 /nfs/dbraw/zinc/43/91/00/861439100.db2.gz GYPRBYSZFLKLJR-UHFFFAOYSA-N -1 1 398.459 3.865 50 0 GHAAMM CCc1nnc([N-]C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)s1 ZINC000002647131 861465028 /nfs/dbraw/zinc/46/50/28/861465028.db2.gz WVLROTFYSBPRKX-UHFFFAOYSA-N -1 1 376.445 3.601 50 0 GHAAMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000020578637 860612256 /nfs/dbraw/zinc/61/22/56/860612256.db2.gz FVGIMLPXJRYTAS-UHFFFAOYSA-N -1 1 382.894 3.884 50 0 GHAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccccc1C)C(C(=O)OC)=C(C)N2 ZINC000004292263 204036779 /nfs/dbraw/zinc/03/67/79/204036779.db2.gz HMYAEQJCWIGVAO-INIZCTEOSA-N -1 1 399.516 3.975 50 0 GHAAMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(Br)c(C)c2)n1 ZINC000004863898 204083114 /nfs/dbraw/zinc/08/31/14/204083114.db2.gz JXQNMPKMAHKQIO-UHFFFAOYSA-N -1 1 396.310 3.524 50 0 GHAAMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCc2ccccc21 ZINC000006551613 204183793 /nfs/dbraw/zinc/18/37/93/204183793.db2.gz PUDLQNCUIBIUJR-UHFFFAOYSA-N -1 1 378.453 3.690 50 0 GHAAMM CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccs1)C(C(=O)OCC)=C(C)N2 ZINC000007990968 204257696 /nfs/dbraw/zinc/25/76/96/204257696.db2.gz WGIKLMKMUFLDJJ-ZDUSSCGKSA-N -1 1 391.518 3.728 50 0 GHAAMM Cc1nc2[n-]c(NC(=O)c3cccc(Cl)c3)nn2c(=O)c1Cc1ccccc1 ZINC000008613097 204281850 /nfs/dbraw/zinc/28/18/50/204281850.db2.gz JHTXLDOUBYGTMZ-UHFFFAOYSA-N -1 1 393.834 3.635 50 0 GHAAMM Cc1[nH]c2nn(-c3nc4ccccc4s3)c([O-])c2c(=O)c1Cc1ccccc1 ZINC000008768191 204289981 /nfs/dbraw/zinc/28/99/81/204289981.db2.gz UXIBRKGTADVLAN-UHFFFAOYSA-N -1 1 388.452 3.516 50 0 GHAAMM Cc1[nH]c2nn(-c3nc4ccccc4s3)c(=O)c-2c([O-])c1Cc1ccccc1 ZINC000008768191 204289988 /nfs/dbraw/zinc/28/99/88/204289988.db2.gz UXIBRKGTADVLAN-UHFFFAOYSA-N -1 1 388.452 3.516 50 0 GHAAMM O=C(COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)NC1CCCCC1 ZINC000009053846 204297266 /nfs/dbraw/zinc/29/72/66/204297266.db2.gz PDSYRKOMODTIHS-UHFFFAOYSA-N -1 1 393.439 3.993 50 0 biogenic GHAAMM O=C(COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)NC1CCCCC1 ZINC000009053846 204297270 /nfs/dbraw/zinc/29/72/70/204297270.db2.gz PDSYRKOMODTIHS-UHFFFAOYSA-N -1 1 393.439 3.993 50 0 biogenic GHAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](C)c3ccccn3)cc2)cc1 ZINC000010556778 204337493 /nfs/dbraw/zinc/33/74/93/204337493.db2.gz FJTYNESZCHROAW-MRXNPFEDSA-N -1 1 395.484 3.682 50 0 GHAAMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2ncc(Cl)c(C)c2Cl)n1 ZINC000011443286 204346725 /nfs/dbraw/zinc/34/67/25/204346725.db2.gz HLJAFAZREOORRO-UHFFFAOYSA-N -1 1 387.292 3.876 50 0 GHAAMM Cc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nc2c(c(=O)[n-]1)CCCC2 ZINC000011903520 204361052 /nfs/dbraw/zinc/36/10/52/204361052.db2.gz IHSHOMQCPCVVIL-NSHDSACASA-N -1 1 377.897 3.730 50 0 GHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nnc3n2CCCCC3)cc1 ZINC000023370952 204805248 /nfs/dbraw/zinc/80/52/48/204805248.db2.gz WZJKWROVEKQOOP-UHFFFAOYSA-N -1 1 382.489 3.781 50 0 GHAAMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1c[nH]c(-c2nnc(-c3ccccc3)o2)c1 ZINC000046914354 205108224 /nfs/dbraw/zinc/10/82/24/205108224.db2.gz DTAJMSJWPWRTJF-UHFFFAOYSA-N -1 1 398.419 3.980 50 0 GHAAMM Cc1cccc(C)c1OC1(C(=O)[O-])CCN(Cc2cnc3ccccc3n2)CC1 ZINC000063882562 205189422 /nfs/dbraw/zinc/18/94/22/205189422.db2.gz ZYWUZCQEVUTHSI-UHFFFAOYSA-N -1 1 391.471 3.745 50 0 GHAAMM CCNC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)ccc21 ZINC000064861451 205197760 /nfs/dbraw/zinc/19/77/60/205197760.db2.gz JQEMZFIJFNWTHF-UHFFFAOYSA-N -1 1 387.505 3.703 50 0 GHAAMM CCCNC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cc(C)ccc3C)ccc21 ZINC000064861717 205198123 /nfs/dbraw/zinc/19/81/23/205198123.db2.gz ZECYRPBOZUEGOB-UHFFFAOYSA-N -1 1 387.505 3.586 50 0 GHAAMM COc1ccc2cc([C@@H]3SC(C)=Nc4c3c(=O)[n-]n4C(C)C)c(=O)n(C)c2c1 ZINC000071286461 205280833 /nfs/dbraw/zinc/28/08/33/205280833.db2.gz UXMBYDZRGMFUPO-KRWDZBQOSA-N -1 1 398.488 3.916 50 0 GHAAMM CCOC(=O)C1=C(NC(=O)c2cccc(F)c2F)[N-]c2ccccc2N=C1C ZINC000072080211 205303303 /nfs/dbraw/zinc/30/33/03/205303303.db2.gz GRHAVTGPMDCNSZ-UHFFFAOYSA-N -1 1 385.370 3.687 50 0 GHAAMM O=C(NC1CCCCCC1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000072280444 205320571 /nfs/dbraw/zinc/32/05/71/205320571.db2.gz XYIDATXMLVYMPM-HXUWFJFHSA-N -1 1 380.488 3.989 50 0 GHAAMM Cc1nc(C[N-]S(=O)(=O)c2ccccc2F)oc1-c1ccc(Cl)cc1 ZINC000079092382 205380904 /nfs/dbraw/zinc/38/09/04/205380904.db2.gz OSSMVOGUXJYKSM-UHFFFAOYSA-N -1 1 380.828 3.921 50 0 GHAAMM O=C([O-])c1ccccc1OCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000237965497 136192429 /nfs/dbraw/zinc/19/24/29/136192429.db2.gz ROGMBBTVEVJLNA-UHFFFAOYSA-N -1 1 394.393 3.605 50 0 GHAAMM CCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc21 ZINC000008840551 136195776 /nfs/dbraw/zinc/19/57/76/136195776.db2.gz QYKGAUMMHAMBSS-UHFFFAOYSA-N -1 1 378.881 3.830 50 0 GHAAMM O=C(c1ccccc1[O-])N1N=C(c2ccc(Cl)cc2)C[C@@]1(O)C(F)(F)F ZINC000000722854 570220450 /nfs/dbraw/zinc/22/04/50/570220450.db2.gz NZQLYPYIXPVKDD-MRXNPFEDSA-N -1 1 384.741 3.547 50 0 GHAAMM CCN1c2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)c3cccc(c23)C1=O ZINC000001463015 570229894 /nfs/dbraw/zinc/22/98/94/570229894.db2.gz HAPAOBSXLVJEMG-UHFFFAOYSA-N -1 1 382.441 3.629 50 0 GHAAMM CCCN1C(=O)[C@]([N-]c2ncccc2C)(C(F)(F)F)N=C1c1ccccc1 ZINC000019939506 570232869 /nfs/dbraw/zinc/23/28/69/570232869.db2.gz DTBXFWPXXSLROY-GOSISDBHSA-N -1 1 376.382 3.760 50 0 GHAAMM Cc1cccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)c3ccccc3)c2)c1 ZINC000001196635 570257214 /nfs/dbraw/zinc/25/72/14/570257214.db2.gz XDMOMNLRGRKRFW-UHFFFAOYSA-N -1 1 387.482 3.629 50 0 GHAAMM C[C@@H](c1ccccc1)N1CNc2c(c(=O)[n-]c(=S)n2-c2ccc(F)cc2)C1 ZINC000020567757 570268244 /nfs/dbraw/zinc/26/82/44/570268244.db2.gz QXPGAPYCMYPNOO-ZDUSSCGKSA-N -1 1 382.464 3.980 50 0 GHAAMM COc1cc(NC(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)cc(OC)c1 ZINC000012893591 570286169 /nfs/dbraw/zinc/28/61/69/570286169.db2.gz VGUCJEYJISLLFT-UHFFFAOYSA-N -1 1 398.488 3.962 50 0 GHAAMM O=C(Nc1ccccn1)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000021893996 570298642 /nfs/dbraw/zinc/29/86/42/570298642.db2.gz MTYHMEDZFXYYKV-UHFFFAOYSA-N -1 1 387.848 3.788 50 0 GHAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1ccco1 ZINC000000803259 570345502 /nfs/dbraw/zinc/34/55/02/570345502.db2.gz OBXQETUFCMEOQY-UHFFFAOYSA-N -1 1 376.821 3.986 50 0 GHAAMM O=C(c1cc(Cl)ccc1[O-])N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000032676211 570729107 /nfs/dbraw/zinc/72/91/07/570729107.db2.gz IZWGCQUSHBRZQC-UHFFFAOYSA-N -1 1 383.250 3.796 50 0 GHAAMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000007053810 570774379 /nfs/dbraw/zinc/77/43/79/570774379.db2.gz JPDLWKIPUHGDBE-UHFFFAOYSA-N -1 1 393.770 3.946 50 0 GHAAMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCC2)cc1 ZINC000012526283 570831400 /nfs/dbraw/zinc/83/14/00/570831400.db2.gz DBFMRLIBUFHZPX-UHFFFAOYSA-N -1 1 386.517 3.939 50 0 GHAAMM C[C@H](CC(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)C1CCCCC1 ZINC000170597623 570855714 /nfs/dbraw/zinc/85/57/14/570855714.db2.gz VCBJECIKFGBQGA-DIFFPNOSSA-N -1 1 379.867 3.804 50 0 GHAAMM CSc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1CCCC1 ZINC000016649192 570929955 /nfs/dbraw/zinc/92/99/55/570929955.db2.gz HWNBOBXXIDYMOH-UHFFFAOYSA-N -1 1 394.493 3.584 50 0 GHAAMM CC(C)=C1c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2N(C)C1=O ZINC000046053869 571015606 /nfs/dbraw/zinc/01/56/06/571015606.db2.gz DSNJFNXDZUVOIB-UHFFFAOYSA-N -1 1 376.865 3.911 50 0 GHAAMM O=S(=O)([N-]c1ccccc1Br)c1c(Cl)nc2ccccn21 ZINC000037555333 571030862 /nfs/dbraw/zinc/03/08/62/571030862.db2.gz HNCLQAFLVFDGQV-UHFFFAOYSA-N -1 1 386.658 3.551 50 0 GHAAMM Cc1nc(-c2ncc(C(=O)N3CC=C(c4ccccc4)CC3)c(=O)[n-]2)cs1 ZINC000091893873 571035090 /nfs/dbraw/zinc/03/50/90/571035090.db2.gz FXTRMIDUEZMIER-UHFFFAOYSA-N -1 1 378.457 3.544 50 0 GHAAMM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)c3cc(-c4ccccc4O)[nH]n3)C2)c1 ZINC000095364343 571057555 /nfs/dbraw/zinc/05/75/55/571057555.db2.gz GTIGIDOKAKFSPP-MRXNPFEDSA-N -1 1 391.427 3.500 50 0 GHAAMM COc1ccc(C(=O)Nc2ccc([O-])c(-c3nc4cnccc4o3)c2)cc1OC ZINC000032074858 862799214 /nfs/dbraw/zinc/79/92/14/862799214.db2.gz VAGYELWOLXASOA-UHFFFAOYSA-N -1 1 391.383 3.865 50 0 GHAAMM C[C@H](c1ccccc1)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000032346612 862899998 /nfs/dbraw/zinc/89/99/98/862899998.db2.gz AQUPGWHKIRSPER-MRXNPFEDSA-N -1 1 395.484 3.716 50 0 GHAAMM O=C(NCCc1cccc(F)c1F)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000095958690 860718901 /nfs/dbraw/zinc/71/89/01/860718901.db2.gz DUNOGRDUILNDEZ-UHFFFAOYSA-N -1 1 388.414 3.517 50 0 GHAAMM CCC[C@]1(C)CCCN(C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC000173657518 864974764 /nfs/dbraw/zinc/97/47/64/864974764.db2.gz YKOYKIBJGUAAAE-JOCHJYFZSA-N -1 1 382.508 3.502 50 0 GHAAMM CCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cc1 ZINC000003251843 203993014 /nfs/dbraw/zinc/99/30/14/203993014.db2.gz UBECYVCXPYMEHH-UHFFFAOYSA-N -1 1 390.244 3.891 50 0 GHAAMM CCOc1ccc(-c2cccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)c2)nn1 ZINC000005204268 204119216 /nfs/dbraw/zinc/11/92/16/204119216.db2.gz FOYOYVKOGDPOIA-UHFFFAOYSA-N -1 1 383.473 3.960 50 0 GHAAMM CC(=O)N1CCSc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc21 ZINC000006779062 204204722 /nfs/dbraw/zinc/20/47/22/204204722.db2.gz JEOBMGHPPHHEGK-UHFFFAOYSA-N -1 1 376.503 3.563 50 0 GHAAMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3C)cc2C[C@H]1C ZINC000006878182 204219137 /nfs/dbraw/zinc/21/91/37/204219137.db2.gz JZPMZQKETLKKRC-GFCCVEGCSA-N -1 1 378.881 3.747 50 0 GHAAMM O=C1CCCN1c1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000007726720 204247990 /nfs/dbraw/zinc/24/79/90/204247990.db2.gz KLBNYFPFEIOVHI-UHFFFAOYSA-N -1 1 384.379 3.633 50 0 GHAAMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(I)cc2)c1 ZINC000008715007 204284466 /nfs/dbraw/zinc/28/44/66/204284466.db2.gz MUIIPMFGTSQSGU-UHFFFAOYSA-N -1 1 387.242 3.709 50 0 GHAAMM C[C@@H](Oc1ccccc1)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000040106657 205052147 /nfs/dbraw/zinc/05/21/47/205052147.db2.gz OOGXPSBYTPOLOX-MRXNPFEDSA-N -1 1 396.468 3.893 50 0 GHAAMM Cc1nc(SCc2nc(-c3cccc(C(F)(F)F)c3)no2)[n-]c(=O)c1C ZINC000044168994 205084380 /nfs/dbraw/zinc/08/43/80/205084380.db2.gz XQHFUZGRCKRTBG-UHFFFAOYSA-N -1 1 382.367 3.748 50 0 GHAAMM CCOC(=O)C1=C(NC(=O)c2ccc(F)c(F)c2)[N-]c2ccccc2N=C1C ZINC000058366303 205173363 /nfs/dbraw/zinc/17/33/63/205173363.db2.gz WKCZHZYNKDPMRU-UHFFFAOYSA-N -1 1 385.370 3.687 50 0 GHAAMM COc1cccc(-c2nc(CS(=O)(=O)c3ccc([O-])cc3)cs2)c1OC ZINC000063927073 205188549 /nfs/dbraw/zinc/18/85/49/205188549.db2.gz AQBKHXIUBJZICO-UHFFFAOYSA-N -1 1 391.470 3.507 50 0 GHAAMM CCCNC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccc(C)c3C)ccc21 ZINC000064861608 205198661 /nfs/dbraw/zinc/19/86/61/205198661.db2.gz IUIXUXPPAGFHON-UHFFFAOYSA-N -1 1 387.505 3.586 50 0 GHAAMM CCCn1c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2sc1=O ZINC000064947115 205201749 /nfs/dbraw/zinc/20/17/49/205201749.db2.gz ZXZKSJXAJFATSG-UHFFFAOYSA-N -1 1 376.503 3.891 50 0 GHAAMM Cc1nc2sc(C(C)C)nn2c1S(=O)(=O)[N-]c1ccc(C)cc1Cl ZINC000065183853 205216096 /nfs/dbraw/zinc/21/60/96/205216096.db2.gz IZUCZKKYVSRRSN-UHFFFAOYSA-N -1 1 384.914 3.985 50 0 GHAAMM CC(C)c1ccccc1NC(=O)N1CCc2c(nc(-c3ccncc3)[n-]c2=O)C1 ZINC000072143572 205310353 /nfs/dbraw/zinc/31/03/53/205310353.db2.gz KTCMKYULNYZXAQ-UHFFFAOYSA-N -1 1 389.459 3.546 50 0 GHAAMM O=S(=O)([N-]c1ccc2nc(-c3ccco3)[nH]c2c1)c1ccc(F)cc1F ZINC000072273200 205318527 /nfs/dbraw/zinc/31/85/27/205318527.db2.gz GGEOKCVOSAJSEP-UHFFFAOYSA-N -1 1 375.356 3.902 50 0 GHAAMM O=S(=O)([N-]c1ccc2nc(-c3ccco3)[nH]c2c1)c1cc(F)ccc1F ZINC000072273198 205318835 /nfs/dbraw/zinc/31/88/35/205318835.db2.gz SMVXBOBXUHUMCQ-UHFFFAOYSA-N -1 1 375.356 3.902 50 0 GHAAMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2Cl)o1 ZINC000033146390 206097331 /nfs/dbraw/zinc/09/73/31/206097331.db2.gz OGIZVYUDJJGBHW-UHFFFAOYSA-N -1 1 391.276 3.916 50 0 GHAAMM Cc1ccc2c(c1)C[C@@]1(CN2C)C(=O)[N-]C(=O)N([C@H](C)c2ccccc2)C1=O ZINC000017209181 136202284 /nfs/dbraw/zinc/20/22/84/136202284.db2.gz XDGXVRUBBCIVRT-IVZQSRNASA-N -1 1 377.444 3.654 50 0 biogenic GHAAMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)CS3)c1 ZINC000015730745 570222971 /nfs/dbraw/zinc/22/29/71/570222971.db2.gz ILSBOUKIYRYNTI-CYBMUJFWSA-N -1 1 376.503 3.785 50 0 GHAAMM CSc1cccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)CS3)c1 ZINC000015730756 570223019 /nfs/dbraw/zinc/22/30/19/570223019.db2.gz JOEKOSVZLIZKOP-NSHDSACASA-N -1 1 394.543 3.890 50 0 GHAAMM COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000001003743 570234730 /nfs/dbraw/zinc/23/47/30/570234730.db2.gz UWZXVTIRUUIADN-UHFFFAOYSA-N -1 1 382.441 3.748 50 0 GHAAMM Cc1cc(N2CCCC2=O)cc(C)c1S(=O)(=O)[N-]c1cccc(F)c1C ZINC000001425382 570262879 /nfs/dbraw/zinc/26/28/79/570262879.db2.gz MROCGCHSAQNTLC-UHFFFAOYSA-N -1 1 376.453 3.679 50 0 GHAAMM O=C(Nc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2)c1)c1ccco1 ZINC000022411544 570316408 /nfs/dbraw/zinc/31/64/08/570316408.db2.gz HFDZVLFOGQHXTI-UHFFFAOYSA-N -1 1 376.821 3.986 50 0 GHAAMM COc1ccc([N-]S(=O)(=O)c2cccc3ccccc32)cc1N1CCCC1=O ZINC000005329713 570554735 /nfs/dbraw/zinc/55/47/35/570554735.db2.gz HBPGPBCTIOIEJI-UHFFFAOYSA-N -1 1 396.468 3.776 50 0 GHAAMM O=[S@](c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1)C(F)(F)F ZINC000072312982 570649452 /nfs/dbraw/zinc/64/94/52/570649452.db2.gz UFQDRUQAOUCTTG-QFIPXVFZSA-N -1 1 383.800 3.768 50 0 GHAAMM CCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc21 ZINC000017247959 570702040 /nfs/dbraw/zinc/70/20/40/570702040.db2.gz PCTXCCDWENQBOV-UHFFFAOYSA-N -1 1 378.881 3.830 50 0 GHAAMM CCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc21 ZINC000017248009 570702129 /nfs/dbraw/zinc/70/21/29/570702129.db2.gz QJXIBDSROGETQL-UHFFFAOYSA-N -1 1 378.881 3.830 50 0 GHAAMM COc1ccc(CN(C)Cc2cc(=O)n3[n-]c(-c4ccc(C)cc4)cc3n2)cc1 ZINC000033126333 570819106 /nfs/dbraw/zinc/81/91/06/570819106.db2.gz XZJWJYFBZUTVLA-UHFFFAOYSA-N -1 1 388.471 3.639 50 0 GHAAMM 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SPGPFFPJTQFFEN-GOSISDBHSA-N -1 1 390.277 3.741 50 0 GHAAMM CC(C)c1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000095995670 860738763 /nfs/dbraw/zinc/73/87/63/860738763.db2.gz WLHZXACHQKKAKK-UHFFFAOYSA-N -1 1 386.473 3.618 50 0 GHAAMM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2cc(C)ccc2F)c1-c1nnc(C2CC2)o1 ZINC000096379667 914443018 /nfs/dbraw/zinc/44/30/18/914443018.db2.gz ITGCKPBKDXWUTI-UHFFFAOYSA-N -1 1 390.440 3.807 50 0 GHAAMM Cc1ccc(NC(=O)c2c([O-])n(C)c3ccccc3c2=O)c(Br)c1 ZINC000001244356 203899453 /nfs/dbraw/zinc/89/94/53/203899453.db2.gz XCCPZNAQHNNBMX-UHFFFAOYSA-N -1 1 387.233 3.567 50 0 GHAAMM O=S(=O)([N-]c1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1ccccc1 ZINC000005144793 204114913 /nfs/dbraw/zinc/11/49/13/204114913.db2.gz HEJXBPZOYVXLFW-UHFFFAOYSA-N -1 1 380.473 3.545 50 0 GHAAMM CCCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)c2ccc3ccccc3c2)n1 ZINC000007420318 204240783 /nfs/dbraw/zinc/24/07/83/204240783.db2.gz MQUGQWJFYRJXQO-UHFFFAOYSA-N -1 1 387.443 3.622 50 0 GHAAMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC3CCCC3)c2)cc1 ZINC000007989424 204258501 /nfs/dbraw/zinc/25/85/01/204258501.db2.gz AQPDUEFRFLULFR-UHFFFAOYSA-N -1 1 388.489 3.559 50 0 GHAAMM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000009903425 204327232 /nfs/dbraw/zinc/32/72/32/204327232.db2.gz FMZMZVLIHHITRQ-UHFFFAOYSA-N -1 1 382.441 3.748 50 0 GHAAMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H](C)c2cccs2)cc1 ZINC000009996213 204329022 /nfs/dbraw/zinc/32/90/22/204329022.db2.gz XHPLBIVYXIIMSJ-LBPRGKRZSA-N -1 1 388.518 3.945 50 0 GHAAMM CCOc1cc(/C=C2\NC(=S)[N-]C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000033154954 204949238 /nfs/dbraw/zinc/94/92/38/204949238.db2.gz XAHURXCUGPWDDM-DHDCSXOGSA-N -1 1 388.876 3.663 50 0 GHAAMM CC(=O)N1CCCSc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc21 ZINC000064951955 205202055 /nfs/dbraw/zinc/20/20/55/205202055.db2.gz ATHFKSQDFNMKGG-UHFFFAOYSA-N -1 1 396.921 3.990 50 0 GHAAMM CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCCS3)cc1 ZINC000064951992 205202630 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O=C([O-])c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC000040267803 856718478 /nfs/dbraw/zinc/71/84/78/856718478.db2.gz CRMZJYVBTGIJBN-GOSISDBHSA-N -1 1 396.834 3.941 50 0 GHAAMM Cc1nnc([N-]C(=O)c2nc(-c3ccccc3)n(-c3ccc(Cl)cc3)n2)s1 ZINC000096581740 860991092 /nfs/dbraw/zinc/99/10/92/860991092.db2.gz DHJSXCDFTNUCTH-UHFFFAOYSA-N -1 1 396.863 4.000 50 0 GHAAMM CCCn1c([O-])c(C(=O)Nc2ccccc2C(=O)OCC)c(=O)c2ccccc21 ZINC000004339537 913572843 /nfs/dbraw/zinc/57/28/43/913572843.db2.gz XIPIZZLFQHNUMX-UHFFFAOYSA-N -1 1 394.427 3.546 50 0 GHAAMM CC(C)(C)n1nnc(C(=O)[N-]c2csnc2-c2cccc(C(F)(F)F)c2)n1 ZINC000622887253 893681901 /nfs/dbraw/zinc/68/19/01/893681901.db2.gz QUSCHCRAPOCOLT-UHFFFAOYSA-N -1 1 396.398 3.823 50 0 GHAAMM Cc1nc(-c2ccccc2)sc1CC[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000004392327 204043000 /nfs/dbraw/zinc/04/30/00/204043000.db2.gz VQEZJKQMUWIJSN-UHFFFAOYSA-N -1 1 394.468 3.918 50 0 GHAAMM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1cc(-c2ccco2)on1 ZINC000004881121 204085912 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COc1ccc(-c2noc([N-]c3cc(OC)c(OC)c(OC)c3)n2)cc1OC ZINC000009726870 204322008 /nfs/dbraw/zinc/32/20/08/204322008.db2.gz ZNFJITOOVHRQKR-UHFFFAOYSA-N -1 1 387.392 3.523 50 0 GHAAMM CCc1nnc([N-]C(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)s1 ZINC000011659751 204348021 /nfs/dbraw/zinc/34/80/21/204348021.db2.gz VYEQJRXHYVXPMD-UHFFFAOYSA-N -1 1 382.474 3.662 50 0 GHAAMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)C[C@@H](C)S2 ZINC000015730513 204572738 /nfs/dbraw/zinc/57/27/38/204572738.db2.gz SJBVUKUHBUWGBI-LLVKDONJSA-N -1 1 380.466 3.758 50 0 GHAAMM COc1ccc(-c2nc(CSc3nc(C)c(C)c(=O)[n-]3)c(C)o2)c(OC)c1 ZINC000045924830 205098989 /nfs/dbraw/zinc/09/89/89/205098989.db2.gz YERMXQWUVOQTDL-UHFFFAOYSA-N -1 1 387.461 3.660 50 0 GHAAMM CCCCN(Cc1sccc1C)C(=O)[C@@H](C)Sc1nc(C)cc(=O)[n-]1 ZINC000055342146 205147538 /nfs/dbraw/zinc/14/75/38/205147538.db2.gz OHTTZJXKUWFGDI-CQSZACIVSA-N -1 1 379.551 3.758 50 0 GHAAMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(CN2CCCC2=O)c1 ZINC000055584282 205149044 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0 GHAAMM CCc1ccccc1S(=O)(=O)[N-]c1ccc2sc(NC(C)=O)nc2c1 ZINC000015870147 570281384 /nfs/dbraw/zinc/28/13/84/570281384.db2.gz PQRDXYKSNSXZHA-UHFFFAOYSA-N -1 1 375.475 3.618 50 0 GHAAMM CC(=O)N1C[C@H](C)Sc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3C)cc21 ZINC000032943906 570288709 /nfs/dbraw/zinc/28/87/09/570288709.db2.gz XDTHFQGFXSEGHA-LBPRGKRZSA-N -1 1 394.493 3.782 50 0 GHAAMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1)c1ccoc1 ZINC000027737576 570440823 /nfs/dbraw/zinc/44/08/23/570440823.db2.gz IFETVGUIKULBJY-UHFFFAOYSA-N -1 1 376.821 3.986 50 0 GHAAMM CC(=O)Nc1nc2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2s1 ZINC000033007589 570620828 /nfs/dbraw/zinc/62/08/28/570620828.db2.gz PMHUNRSFAHOQHV-UHFFFAOYSA-N -1 1 399.856 3.848 50 0 GHAAMM CC[C@@H](c1ccc(F)cc1F)S(=O)(=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000155969794 570688889 /nfs/dbraw/zinc/68/88/89/570688889.db2.gz AFJPLCLTBDSOSI-NSHDSACASA-N -1 1 396.337 3.545 50 0 GHAAMM CC1=NN=C(Cc2ccccc2)CN=C1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000032611930 570691020 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Cc1ccc(C(=O)N2CCC(C)CC2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000012774115 571027261 /nfs/dbraw/zinc/02/72/61/571027261.db2.gz CHXBRRGYOSADCE-UHFFFAOYSA-N -1 1 390.480 3.807 50 0 GHAAMM COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)ccc1C ZINC000013367643 838251655 /nfs/dbraw/zinc/25/16/55/838251655.db2.gz OCRWKSWDVBWNRO-VMPITWQZSA-N -1 1 381.837 3.556 50 0 GHAAMM O=C(CCc1nc2ccccc2s1)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000002631378 861446355 /nfs/dbraw/zinc/44/63/55/861446355.db2.gz CEOZBYNZJXGXDD-UHFFFAOYSA-N -1 1 381.409 3.784 50 0 GHAAMM Cc1[n-]n(-c2ccccc2)c2ncc(C(=O)Nc3ccc(F)cc3F)c(=O)c1-2 ZINC000009316354 857112910 /nfs/dbraw/zinc/11/29/10/857112910.db2.gz YMTVZBZDPYBBHV-UHFFFAOYSA-N -1 1 380.354 3.553 50 0 GHAAMM CCC[C@@]1(C)CCCN(C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC000173657527 864974715 /nfs/dbraw/zinc/97/47/15/864974715.db2.gz YKOYKIBJGUAAAE-QFIPXVFZSA-N -1 1 382.508 3.502 50 0 GHAAMM Cc1cc(C(=O)Nc2ccc(Oc3nnn[n-]3)cc2)c2cc(Cl)ccc2n1 ZINC000952980623 904661073 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CCOC(=O)C1=C(NC(=O)c2ccccc2F)[N-]c2ccccc2N=C1CC ZINC000005560142 204140206 /nfs/dbraw/zinc/14/02/06/204140206.db2.gz KTTRUANZBVZPNJ-UHFFFAOYSA-N -1 1 381.407 3.938 50 0 GHAAMM COC(=O)CCSc1nc2c(c(=O)[n-]1)[C@H](C1CCCC1)Cc1ccccc1-2 ZINC000008769132 204289400 /nfs/dbraw/zinc/28/94/00/204289400.db2.gz PEGLGYPOVDLDQQ-INIZCTEOSA-N -1 1 384.501 3.922 50 0 GHAAMM CCN(CC)c1ccc2cc(-c3c([O-])[nH]c4ccccc4c3=O)c(=O)oc2c1 ZINC000008974083 204293598 /nfs/dbraw/zinc/29/35/98/204293598.db2.gz ZWYWAVSVXUITRO-UHFFFAOYSA-N -1 1 376.412 3.853 50 0 biogenic GHAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccco2)cc1 ZINC000008172515 204264732 /nfs/dbraw/zinc/26/47/32/204264732.db2.gz RQIFWVIXELJATN-OAHLLOKOSA-N -1 1 384.457 3.880 50 0 GHAAMM CC[C@@H]1Sc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2NC1=O ZINC000009430638 204311152 /nfs/dbraw/zinc/31/11/52/204311152.db2.gz BILSJGIJWFYAGB-AWEZNQCLSA-N -1 1 382.894 3.964 50 0 GHAAMM COc1cc(C)c([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1OC ZINC000024358165 204819881 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Cc1c(F)cccc1/N=c1\oc2cc([O-])ccc2cc1C(=O)NC[C@H]1CCCO1 ZINC000067298890 205246014 /nfs/dbraw/zinc/24/60/14/205246014.db2.gz SEJRGQCQCLZCCR-WGJYXZIMSA-N -1 1 396.418 3.727 50 0 GHAAMM CC(C)c1ncc(C(=O)N2CCC[C@@H](CCc3ccc(F)c(F)c3)C2)c(=O)[n-]1 ZINC000071774658 205297066 /nfs/dbraw/zinc/29/70/66/205297066.db2.gz GWKITIOMOXFSLY-HNNXBMFYSA-N -1 1 389.446 3.657 50 0 GHAAMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)N1CCc2ccccc21 ZINC000010112431 221097655 /nfs/dbraw/zinc/09/76/55/221097655.db2.gz BCYJNASHAJEAEV-UHFFFAOYSA-N -1 1 392.480 3.999 50 0 GHAAMM Cc1ccc(C([O-])=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000100293205 136189124 /nfs/dbraw/zinc/18/91/24/136189124.db2.gz OEYACIQZBHNITB-UHFFFAOYSA-N -1 1 398.418 3.994 50 0 GHAAMM Cc1nnc2ccc(-c3ccc(C)c(S(=O)(=O)[N-]c4ccc(C)cc4)c3)nn12 ZINC000033269717 526411046 /nfs/dbraw/zinc/41/10/46/526411046.db2.gz MCLGEAMXRUJREP-UHFFFAOYSA-N -1 1 393.472 3.517 50 0 GHAAMM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)C[C@@H](C)S2 ZINC000015730348 570222581 /nfs/dbraw/zinc/22/25/81/570222581.db2.gz IABIZYPUQDHHTR-GFCCVEGCSA-N -1 1 376.503 3.873 50 0 GHAAMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)cc1C ZINC000015730432 570222588 /nfs/dbraw/zinc/22/25/88/570222588.db2.gz XJGWIERQWBCIOS-ZDUSSCGKSA-N -1 1 376.503 3.927 50 0 GHAAMM CC(=O)N1C[C@@H](C)Sc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3C)cc21 ZINC000032943905 570288567 /nfs/dbraw/zinc/28/85/67/570288567.db2.gz XDTHFQGFXSEGHA-GFCCVEGCSA-N -1 1 394.493 3.782 50 0 GHAAMM CCC(CC)C(=O)Nc1cc(-c2cccs2)nn1-c1nc(C)c(C)c(=O)[n-]1 ZINC000011854867 570439115 /nfs/dbraw/zinc/43/91/15/570439115.db2.gz MWZHYZPEONWXCY-UHFFFAOYSA-N -1 1 385.493 3.676 50 0 GHAAMM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1NC(C)=O ZINC000006652078 570519087 /nfs/dbraw/zinc/51/90/87/570519087.db2.gz NPMDJWOGONSVRS-UHFFFAOYSA-N -1 1 389.260 3.761 50 0 GHAAMM COc1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)ccc1N1CCCC1=O ZINC000005329388 570554882 /nfs/dbraw/zinc/55/48/82/570554882.db2.gz QOQZRPWLCKOQGF-UHFFFAOYSA-N -1 1 396.468 3.776 50 0 GHAAMM O=c1nc(N2CCN(c3ccccc3)CC2)[n-]c2c(-c3ccccc3)csc21 ZINC000044169289 570632013 /nfs/dbraw/zinc/63/20/13/570632013.db2.gz RQVGERQRROPCQK-UHFFFAOYSA-N -1 1 388.496 3.978 50 0 GHAAMM O=c1cc(-c2ccc(F)cc2)nc(SCc2nc(-c3ccccc3)no2)[n-]1 ZINC000012414997 570668959 /nfs/dbraw/zinc/66/89/59/570668959.db2.gz FTCQICUSGNJPOT-UHFFFAOYSA-N -1 1 380.404 3.918 50 0 GHAAMM O=C(C1CC1)N1CCc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc21 ZINC000013696964 570669659 /nfs/dbraw/zinc/66/96/59/570669659.db2.gz FEGWPXQLHUHPSM-UHFFFAOYSA-N -1 1 396.512 3.665 50 0 GHAAMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccoc1 ZINC000012630398 570692890 /nfs/dbraw/zinc/69/28/90/570692890.db2.gz ZDBOTSVKFNXQMU-UHFFFAOYSA-N -1 1 378.356 3.611 50 0 GHAAMM CCOc1ccc(Nc2nc([O-])c(CC(=O)Nc3ccccc3OC)s2)cc1 ZINC000017242497 570701982 /nfs/dbraw/zinc/70/19/82/570701982.db2.gz LCMGTHVIDNSACI-KRWDZBQOSA-N -1 1 399.472 3.533 50 0 GHAAMM C[C@H]1c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc3c2N(CCC3)C1=O ZINC000101664553 570829148 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GHAAMM O=C(NC[C@H]1CCCO1)c1cc2ccc([O-])cc2o/c1=N\c1ccc(Cl)cc1 ZINC000067298664 205245387 /nfs/dbraw/zinc/24/53/87/205245387.db2.gz IBXWKCKODAJKAW-PJXFJRINSA-N -1 1 398.846 3.933 50 0 GHAAMM O=S(=O)([N-]c1ccccc1Cc1nc(-c2ccncc2)no1)c1ccccc1 ZINC000096119649 206119205 /nfs/dbraw/zinc/11/92/05/206119205.db2.gz BIKFUNKQYKOXLR-UHFFFAOYSA-N -1 1 392.440 3.523 50 0 GHAAMM O=C([O-])c1cc(NS(=O)(=O)c2cc(F)ccc2Cl)cc(C(F)(F)F)c1 ZINC000097548734 206124470 /nfs/dbraw/zinc/12/44/70/206124470.db2.gz YEUAVEIXYPDWEU-UHFFFAOYSA-N -1 1 397.733 3.997 50 0 GHAAMM Nc1cc(=O)[n-]c(S[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)n1 ZINC000012785507 221231178 /nfs/dbraw/zinc/23/11/78/221231178.db2.gz ALRYZNSXJOHDCU-IBGZPJMESA-N -1 1 376.441 3.550 50 0 GHAAMM Cc1ccccc1Nc1nc(-c2cnc(N3CCC(C)CC3)nc2C)cc(=O)[n-]1 ZINC000039383682 132391034 /nfs/dbraw/zinc/39/10/34/132391034.db2.gz KZXWJIPIIRZRMN-UHFFFAOYSA-N -1 1 390.491 3.824 50 0 GHAAMM COc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCCC3)cc2)c1 ZINC000000631111 570212059 /nfs/dbraw/zinc/21/20/59/570212059.db2.gz RKUUFWNFWUYYCQ-UHFFFAOYSA-N -1 1 388.489 3.512 50 0 GHAAMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)CS2 ZINC000015730655 570222809 /nfs/dbraw/zinc/22/28/09/570222809.db2.gz RNJXFBUSQSVLCZ-CYBMUJFWSA-N -1 1 376.503 3.785 50 0 GHAAMM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)CS3)cc1 ZINC000015730685 570222824 /nfs/dbraw/zinc/22/28/24/570222824.db2.gz LIQOJMDQYMPZKW-GFCCVEGCSA-N -1 1 392.502 3.566 50 0 GHAAMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)CS3)c(C)c1 ZINC000015730719 570222870 /nfs/dbraw/zinc/22/28/70/570222870.db2.gz FLCJQDOZYZSAQS-CYBMUJFWSA-N -1 1 376.503 3.785 50 0 GHAAMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1Cl ZINC000014097706 570289479 /nfs/dbraw/zinc/28/94/79/570289479.db2.gz WYKPSGYOZLXUAL-UHFFFAOYSA-N -1 1 378.881 3.978 50 0 GHAAMM COc1ccc(NC(=O)CCn2c(=S)[n-]nc2-c2cccc(C)c2)cc1OC ZINC000013012319 570417474 /nfs/dbraw/zinc/41/74/74/570417474.db2.gz CSWXJRGDQBMTEH-UHFFFAOYSA-N -1 1 398.488 3.962 50 0 GHAAMM CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1 ZINC000032601666 570512141 /nfs/dbraw/zinc/51/21/41/570512141.db2.gz SNXIVJVQEZHCIP-UHFFFAOYSA-N -1 1 377.462 3.882 50 0 GHAAMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CCc2ccccc2C1 ZINC000012536011 570835833 /nfs/dbraw/zinc/83/58/33/570835833.db2.gz INFBOLNVWBBIBW-UHFFFAOYSA-N -1 1 392.480 3.686 50 0 GHAAMM C[C@H](CC(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)C1CCCCC1 ZINC000170597625 570856107 /nfs/dbraw/zinc/85/61/07/570856107.db2.gz VCBJECIKFGBQGA-PIGZYNQJSA-N -1 1 379.867 3.804 50 0 GHAAMM CCc1cc(C(=O)Nn2c(=O)c3c([n-]c2=S)sc(C)c3CC)cs1 ZINC000017077635 570939598 /nfs/dbraw/zinc/93/95/98/570939598.db2.gz YYDZJUVADIBYIF-UHFFFAOYSA-N -1 1 379.532 3.999 50 0 GHAAMM CC[C@H](C(=O)Nc1cc(C2CC2)nn1-c1nc(C)c(C)c(=O)[n-]1)c1ccccc1 ZINC000012127223 570959496 /nfs/dbraw/zinc/95/94/96/570959496.db2.gz IIFDLURMQKHWCI-KRWDZBQOSA-N -1 1 391.475 3.582 50 0 GHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Br)c2)cc1OC ZINC000012748715 570994360 /nfs/dbraw/zinc/99/43/60/570994360.db2.gz WTSMEUFJXSJTKJ-UHFFFAOYSA-N -1 1 386.267 3.576 50 0 GHAAMM O=C([O-])c1ccc([C@H]2CCCN(C(=O)c3cc(-c4ccccc4O)[nH]n3)C2)cc1 ZINC000095374131 571063327 /nfs/dbraw/zinc/06/33/27/571063327.db2.gz YQNMEUGCPXZEFZ-INIZCTEOSA-N -1 1 391.427 3.500 50 0 GHAAMM O=C([O-])c1cccc([C@H]2CCCN(C(=O)c3cc(-c4ccccc4)[nH]n3)C2)c1 ZINC000095383419 571069159 /nfs/dbraw/zinc/06/91/59/571069159.db2.gz MBGGRVDVEDZFFH-SFHVURJKSA-N -1 1 375.428 3.795 50 0 GHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)NCc1ccccc1 ZINC000003259069 862288541 /nfs/dbraw/zinc/28/85/41/862288541.db2.gz FIBBBPNBHUSOPV-UHFFFAOYSA-N -1 1 398.459 3.865 50 0 GHAAMM COc1ccc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCOCC2)c(OC)c1 ZINC000095472954 860598051 /nfs/dbraw/zinc/59/80/51/860598051.db2.gz ZXAJLTBZVBJKRS-QGZVFWFLSA-N -1 1 389.477 3.844 50 0 GHAAMM O=C([O-])C[C@H](NCc1cnn(Cc2ccccc2Cl)c1)c1ccsc1 ZINC000095997737 860739451 /nfs/dbraw/zinc/73/94/51/860739451.db2.gz DRWXDKMEOBSTTG-KRWDZBQOSA-N -1 1 375.881 3.952 50 0 GHAAMM COc1cc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc(OC)c1OC ZINC000003405812 204003961 /nfs/dbraw/zinc/00/39/61/204003961.db2.gz XZCXUKVFDNWOAN-UHFFFAOYSA-N -1 1 391.367 3.532 50 0 GHAAMM C[C@@H](NC(=O)C(=C([O-])c1ccccc1)n1cc(Cl)ccc1=O)c1ccccc1 ZINC000004679503 204062990 /nfs/dbraw/zinc/06/29/90/204062990.db2.gz KOWUCHDHQCOKQA-QRWLVFNGSA-N -1 1 394.858 3.803 50 0 GHAAMM COCc1cc(=O)[n-]c(Sc2c(=O)[nH]c3ccccc3c2-c2ccccc2)n1 ZINC000005126252 204112645 /nfs/dbraw/zinc/11/26/45/204112645.db2.gz CSGOBXYCTYHWDK-UHFFFAOYSA-N -1 1 391.452 3.988 50 0 GHAAMM CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(Cl)cc1)C(C(=O)OC)=C(C)N2 ZINC000006952823 204227701 /nfs/dbraw/zinc/22/77/01/204227701.db2.gz PSLKDQXKAXQVNU-ZDUSSCGKSA-N -1 1 391.880 3.540 50 0 GHAAMM CC(=O)CSc1[n-]c(-c2ccccc2)nc1S(=O)(=O)c1ccc(C)cc1 ZINC000008606698 204281264 /nfs/dbraw/zinc/28/12/64/204281264.db2.gz YAKAIUAFDCQZIG-UHFFFAOYSA-N -1 1 386.498 3.899 50 0 GHAAMM C[C@@H]1CCCN(C(=O)COc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c2)C1 ZINC000008991283 204295753 /nfs/dbraw/zinc/29/57/53/204295753.db2.gz RMPBBQKCOAKBEE-OAHLLOKOSA-N -1 1 393.439 3.803 50 0 biogenic GHAAMM C[C@@H]1CCCN(C(=O)COc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c2)C1 ZINC000008991283 204295755 /nfs/dbraw/zinc/29/57/55/204295755.db2.gz RMPBBQKCOAKBEE-OAHLLOKOSA-N -1 1 393.439 3.803 50 0 biogenic GHAAMM Cc1nn(-c2ccc(C)c(C)c2)c2c1[C@@H](C(=O)c1ccc([O-])cc1)CC(=O)N2 ZINC000046056848 205103268 /nfs/dbraw/zinc/10/32/68/205103268.db2.gz YOHHAOBEELHDHU-SFHVURJKSA-N -1 1 375.428 3.812 50 0 GHAAMM CC(=O)N1CC(C)(C)c2cc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)ccc21 ZINC000065020907 205205678 /nfs/dbraw/zinc/20/56/78/205205678.db2.gz GAGQWZSVTKVZLT-UHFFFAOYSA-N -1 1 396.871 3.924 50 0 GHAAMM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCc1n[n-]c(=S)n1C1CC1 ZINC000066638246 205240560 /nfs/dbraw/zinc/24/05/60/205240560.db2.gz ZYWXZQZUHOJORV-MRVPVSSYSA-N -1 1 387.292 3.666 50 0 GHAAMM O=C(NC[C@@H]1CCCO1)c1cc2ccc([O-])cc2o/c1=N\c1ccccc1Cl ZINC000067298644 205245735 /nfs/dbraw/zinc/24/57/35/205245735.db2.gz FJNJRVAFCUZJJT-QOHUBZANSA-N -1 1 398.846 3.933 50 0 GHAAMM O=C([O-])/C=C\c1ccc(S(=O)(=O)Nc2ccc(Cl)c3cccnc23)cc1 ZINC000096991258 205580372 /nfs/dbraw/zinc/58/03/72/205580372.db2.gz WXIVEXNYZLQPJI-YHYXMXQVSA-N -1 1 388.832 3.787 50 0 GHAAMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)[C@H]2C ZINC000101079190 205808364 /nfs/dbraw/zinc/80/83/64/205808364.db2.gz FHMMQJAJBOTFAB-LBPRGKRZSA-N -1 1 390.892 3.846 50 0 GHAAMM Cc1cc(C)cc(C(=O)Nc2cc(C3CC3)nn2-c2nc(C(C)C)cc(=O)[n-]2)c1 ZINC000012126007 205871017 /nfs/dbraw/zinc/87/10/17/205871017.db2.gz JIIXLRIAYVNSRD-UHFFFAOYSA-N -1 1 391.475 3.826 50 0 GHAAMM Cc1ccc(Nc2nc(-c3cnc(N4CCCCC4)nc3C)cc(=O)[n-]2)cc1C ZINC000039383637 132391017 /nfs/dbraw/zinc/39/10/17/132391017.db2.gz AUADCOARRVIAAN-UHFFFAOYSA-N -1 1 390.491 3.886 50 0 GHAAMM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccccn1 ZINC000010193751 525333098 /nfs/dbraw/zinc/33/30/98/525333098.db2.gz WGRXWEARWKGEBA-CQSZACIVSA-N -1 1 399.447 3.513 50 0 GHAAMM COc1ccccc1C(=O)[N-]C(=O)CSc1nc(-c2ccccc2)cs1 ZINC000012811169 570225367 /nfs/dbraw/zinc/22/53/67/570225367.db2.gz UIUPLXBTMLCPED-UHFFFAOYSA-N -1 1 384.482 3.867 50 0 GHAAMM O=C([O-])[C@H](c1c2ccccc2[nH]c1-c1ccccc1)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000035083505 570232172 /nfs/dbraw/zinc/23/21/72/570232172.db2.gz MXFKKMXYRDBUCK-YWZLYKJASA-N -1 1 378.428 3.757 50 0 GHAAMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(NC(=O)NC2CC2)cc1 ZINC000048353786 570240910 /nfs/dbraw/zinc/24/09/10/570240910.db2.gz BPKXGNFMXNWMGS-UHFFFAOYSA-N -1 1 379.869 3.733 50 0 GHAAMM CCc1ccc(C(=O)N2CCN(C(=O)c3cc4ccccc4cc3[O-])CC2)cc1 ZINC000025466573 570414269 /nfs/dbraw/zinc/41/42/69/570414269.db2.gz YNUYTJCGHSZUJI-UHFFFAOYSA-N -1 1 388.467 3.706 50 0 GHAAMM CSc1ccc(Cc2nnc([N-]C(=O)c3ccc(Br)o3)o2)cc1 ZINC000036658277 570781576 /nfs/dbraw/zinc/78/15/76/570781576.db2.gz KKAXGHVNGAGCSX-UHFFFAOYSA-N -1 1 394.250 3.990 50 0 GHAAMM CCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)ccc1Cl ZINC000012544825 570846372 /nfs/dbraw/zinc/84/63/72/570846372.db2.gz CJEBAWYBJVCUJX-UHFFFAOYSA-N -1 1 380.897 3.897 50 0 GHAAMM O=S(=O)([N-]c1ccc2nc(C(F)F)[nH]c2c1)c1c[nH]c2cccc(F)c21 ZINC000170609274 570865487 /nfs/dbraw/zinc/86/54/87/570865487.db2.gz HSTRPBRFKGOCFZ-UHFFFAOYSA-N -1 1 380.351 3.922 50 0 GHAAMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)C(C)(C)C)CC2 ZINC000013696520 570900617 /nfs/dbraw/zinc/90/06/17/570900617.db2.gz WNQABFPENNZOOE-UHFFFAOYSA-N -1 1 390.480 3.870 50 0 GHAAMM CCc1c(C)nc(-n2nc(C3CC3)cc2NC(=O)CC2CCCCC2)[n-]c1=O ZINC000012127574 570960261 /nfs/dbraw/zinc/96/02/61/570960261.db2.gz VDBMBJCZAGNEPY-UHFFFAOYSA-N -1 1 383.496 3.613 50 0 GHAAMM CCCN(Cc1ccc(Cl)cc1)C(=O)c1cnc(-c2cccnc2)[n-]c1=O ZINC000091548501 571013525 /nfs/dbraw/zinc/01/35/25/571013525.db2.gz AOAWPWMNVKQHJW-UHFFFAOYSA-N -1 1 382.851 3.950 50 0 GHAAMM CCCCN(Cc1cccnc1)C(=O)c1cnc(-c2ccc(C)cc2)[n-]c1=O ZINC000091745613 571028852 /nfs/dbraw/zinc/02/88/52/571028852.db2.gz VMVJHPJLMXOWFG-UHFFFAOYSA-N -1 1 376.460 3.583 50 0 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GHAAMM O=C(COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)Nc1cccnc1 ZINC000009302689 204305493 /nfs/dbraw/zinc/30/54/93/204305493.db2.gz SKVZNYLASNQZBU-UHFFFAOYSA-N -1 1 388.379 3.578 50 0 biogenic GHAAMM O=C(COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)Nc1cccnc1 ZINC000009302689 204305497 /nfs/dbraw/zinc/30/54/97/204305497.db2.gz SKVZNYLASNQZBU-UHFFFAOYSA-N -1 1 388.379 3.578 50 0 biogenic GHAAMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)n1 ZINC000011443386 204347080 /nfs/dbraw/zinc/34/70/80/204347080.db2.gz UTTFHOXMHQFTBI-JTQLQIEISA-N -1 1 381.885 3.504 50 0 GHAAMM CCn1c(C(N)=O)cc2cc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc21 ZINC000036007838 205001140 /nfs/dbraw/zinc/00/11/40/205001140.db2.gz VKHYJTFSUKFZCN-UHFFFAOYSA-N -1 1 399.516 3.858 50 0 GHAAMM Cc1cccnc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000060657416 205182242 /nfs/dbraw/zinc/18/22/42/205182242.db2.gz GQRMPZDSDAQOCN-UHFFFAOYSA-N -1 1 399.447 3.891 50 0 GHAAMM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCCS2 ZINC000064951990 205201741 /nfs/dbraw/zinc/20/17/41/205201741.db2.gz IVDXVMQFRJPVMO-UHFFFAOYSA-N -1 1 390.530 3.899 50 0 GHAAMM Cc1nn2c(nc(C)c2S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)s1 ZINC000065183673 205216379 /nfs/dbraw/zinc/21/63/79/205216379.db2.gz PVQMCPRTFBGBFW-UHFFFAOYSA-N -1 1 377.278 3.515 50 0 GHAAMM Cc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NC[C@@H]2CCCO2)cc1C ZINC000067298452 205245215 /nfs/dbraw/zinc/24/52/15/205245215.db2.gz XLGCENIRIRHRGL-VWOFGYOZSA-N -1 1 392.455 3.896 50 0 GHAAMM CC(C)(C(=O)NCc1n[n-]c(=S)n1C1CC1)c1cccc(C(F)(F)F)c1 ZINC000067070713 205241201 /nfs/dbraw/zinc/24/12/01/205241201.db2.gz OUDLOWHVZIIVDQ-UHFFFAOYSA-N -1 1 384.427 3.888 50 0 GHAAMM O=C(c1ccc([O-])cn1)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067954509 205268035 /nfs/dbraw/zinc/26/80/35/205268035.db2.gz QXMIACLSJTYXSH-UHFFFAOYSA-N -1 1 396.830 3.848 50 0 GHAAMM CC(C)c1ncc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3F)C2)c(=O)[n-]1 ZINC000071753462 205292279 /nfs/dbraw/zinc/29/22/79/205292279.db2.gz WAFUWSIYOGOVDL-CQSZACIVSA-N -1 1 389.446 3.657 50 0 GHAAMM CCCc1cc(=O)[n-]c(SCc2nc(-c3ccc(F)c(Cl)c3)no2)n1 ZINC000065330997 206106411 /nfs/dbraw/zinc/10/64/11/206106411.db2.gz HKSBHJOWHDTUSK-UHFFFAOYSA-N -1 1 380.832 3.857 50 0 GHAAMM COC(=O)N1CCc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3C)cc2C1 ZINC000096096305 206118381 /nfs/dbraw/zinc/11/83/81/206118381.db2.gz RNVHBZWVVLYDBT-UHFFFAOYSA-N -1 1 394.880 3.574 50 0 GHAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3ccco3)cc2)c1 ZINC000012556930 221206636 /nfs/dbraw/zinc/20/66/36/221206636.db2.gz MYFUZLUOKYFRSM-UHFFFAOYSA-N -1 1 398.484 3.969 50 0 GHAAMM CCOC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4C)c3[n-]2)C1 ZINC000064611583 136157182 /nfs/dbraw/zinc/15/71/82/136157182.db2.gz UVALDKHFXDMLGJ-AWEZNQCLSA-N -1 1 397.500 3.740 50 0 GHAAMM CSc1cccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)c1 ZINC000015728404 570220901 /nfs/dbraw/zinc/22/09/01/570220901.db2.gz QLNLUAKMVLMLOY-UHFFFAOYSA-N -1 1 380.516 3.644 50 0 GHAAMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000015728408 570220922 /nfs/dbraw/zinc/22/09/22/570220922.db2.gz BIKROBYRNISVED-UHFFFAOYSA-N -1 1 376.503 3.793 50 0 GHAAMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)c1 ZINC000015730412 570222578 /nfs/dbraw/zinc/22/25/78/570222578.db2.gz INMMNNDSJBTQRG-ZDUSSCGKSA-N -1 1 376.503 3.927 50 0 GHAAMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)CS2 ZINC000015730804 570223000 /nfs/dbraw/zinc/22/30/00/570223000.db2.gz QUTPLMPEVNDNGU-NSHDSACASA-N -1 1 380.466 3.615 50 0 GHAAMM O=C1[N-]C(=O)/C(=C\c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)N1 ZINC000001053506 570238991 /nfs/dbraw/zinc/23/89/91/570238991.db2.gz IFCYYYYBFIPTHG-VGOFMYFVSA-N -1 1 381.190 3.892 50 0 GHAAMM Cc1ccnc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2)c1 ZINC000021893323 570316587 /nfs/dbraw/zinc/31/65/87/570316587.db2.gz FTMXSUDHHKDKAI-UHFFFAOYSA-N -1 1 399.447 3.891 50 0 GHAAMM CCCn1ccc2cc([N-]S(=O)(=O)c3ccc4c(c3)CCN4C(C)=O)ccc21 ZINC000050533014 570379532 /nfs/dbraw/zinc/37/95/32/570379532.db2.gz STSGJLRVWABDSM-UHFFFAOYSA-N -1 1 397.500 3.761 50 0 GHAAMM COc1ccc(NC(=O)Cc2n[n-]c(=S)n2Cc2ccccc2)cc1Cl ZINC000016639416 570456472 /nfs/dbraw/zinc/45/64/72/570456472.db2.gz MQZXTJLNEVQAPP-UHFFFAOYSA-N -1 1 388.880 3.832 50 0 GHAAMM CCCOc1c(Cl)cc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1OCC ZINC000029388554 570473366 /nfs/dbraw/zinc/47/33/66/570473366.db2.gz UMHIGCGIWXKBNF-UHFFFAOYSA-N -1 1 392.765 3.917 50 0 GHAAMM COc1cc(Cl)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000032601627 570512183 /nfs/dbraw/zinc/51/21/83/570512183.db2.gz OVAXWXNEXVZJOH-UHFFFAOYSA-N -1 1 376.217 3.501 50 0 GHAAMM Cc1nc(-c2ccccc2Cl)sc1C(=O)NCCn1c(C)n[n-]c1=S ZINC000072304171 570515064 /nfs/dbraw/zinc/51/50/64/570515064.db2.gz YYWNONRJIOIYBJ-UHFFFAOYSA-N -1 1 393.925 3.764 50 0 GHAAMM CC[C@@H](C)NC(=O)C1(c2ccc([N-]S(=O)(=O)c3cccc(C)c3)cc2)CC1 ZINC000033274561 570523393 /nfs/dbraw/zinc/52/33/93/570523393.db2.gz SYTYASPDHNZRAC-MRXNPFEDSA-N -1 1 386.517 3.742 50 0 GHAAMM CCOc1ccc(Nc2nc([O-])c(CC(=O)Nc3ccccc3OC)s2)cc1 ZINC000017242492 570702085 /nfs/dbraw/zinc/70/20/85/570702085.db2.gz LCMGTHVIDNSACI-QGZVFWFLSA-N -1 1 399.472 3.533 50 0 GHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Br ZINC000000857798 570709891 /nfs/dbraw/zinc/70/98/91/570709891.db2.gz JXXQLLHWCMIPEN-UHFFFAOYSA-N -1 1 376.659 3.912 50 0 GHAAMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCc2ccccc2C1 ZINC000013677082 570772274 /nfs/dbraw/zinc/77/22/74/570772274.db2.gz WOLDROWRXHKFQJ-UHFFFAOYSA-N -1 1 392.480 3.686 50 0 GHAAMM CCOc1ccc([C@H]2c3c(nc(N)[n-]c3=O)N=C3c4ccccc4C(=O)C32)cc1 ZINC000101916070 570837549 /nfs/dbraw/zinc/83/75/49/570837549.db2.gz KVPHCJRMTGESDF-OAHLLOKOSA-N -1 1 386.411 3.712 50 0 GHAAMM Cc1ccc(O)c(CN[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)n1 ZINC000103342436 570881594 /nfs/dbraw/zinc/88/15/94/570881594.db2.gz HJQMNWOIIJXWAB-QGZVFWFLSA-N -1 1 393.409 3.568 50 0 GHAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@H](C)C[C@H](C)C3)cc2)cc1 ZINC000012604866 570888328 /nfs/dbraw/zinc/88/83/28/570888328.db2.gz PTFPBSXVWYZXDN-CALCHBBNSA-N -1 1 386.517 3.914 50 0 GHAAMM O=C(c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)N1CCCC1 ZINC000015344346 570892022 /nfs/dbraw/zinc/89/20/22/570892022.db2.gz VYJLBOSZUIRQOM-UHFFFAOYSA-N -1 1 398.406 3.742 50 0 GHAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CCc2ccccc21 ZINC000015563633 570897085 /nfs/dbraw/zinc/89/70/85/570897085.db2.gz QWPSROJFWFICBA-UHFFFAOYSA-N -1 1 396.443 3.829 50 0 GHAAMM Cc1ccc([N-]S(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2C)cc1Cl ZINC000015669310 570901444 /nfs/dbraw/zinc/90/14/44/570901444.db2.gz POCWLEDLFFSIAA-UHFFFAOYSA-N -1 1 389.864 3.508 50 0 GHAAMM CCCC[C@@H](c1cccnc1)N(C)C(=O)c1cnc(-c2ccccn2)[n-]c1=O ZINC000091563217 571014997 /nfs/dbraw/zinc/01/49/97/571014997.db2.gz AAGXSMAVEDYKTC-SFHVURJKSA-N -1 1 377.448 3.643 50 0 GHAAMM CC(C)CCN1C[C@]2(CCCN(C(=O)c3cc(Cl)ccc3[O-])C2)CCC1=O ZINC000095520461 571086517 /nfs/dbraw/zinc/08/65/17/571086517.db2.gz UYZCGKJNRGUFPE-NRFANRHFSA-N -1 1 392.927 3.937 50 0 GHAAMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)N1CCCC1 ZINC000003186686 862239812 /nfs/dbraw/zinc/23/98/12/862239812.db2.gz FIJCOFJGGPWIJD-UHFFFAOYSA-N -1 1 398.406 3.742 50 0 GHAAMM O=C(c1cccs1)N1CCc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1 ZINC000008977269 856683356 /nfs/dbraw/zinc/68/33/56/856683356.db2.gz FXPYUQWFFUAQPW-UHFFFAOYSA-N -1 1 398.509 3.747 50 0 GHAAMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3)cc1 ZINC000009168961 856926230 /nfs/dbraw/zinc/92/62/30/856926230.db2.gz WMNYLWWLFDYDRY-UHFFFAOYSA-N -1 1 388.489 3.968 50 0 GHAAMM COc1ccc([N-]S(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)cc1OC ZINC000020580028 860612393 /nfs/dbraw/zinc/61/23/93/860612393.db2.gz UCLXVYPOHDRFLM-UHFFFAOYSA-N -1 1 388.445 3.776 50 0 GHAAMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3cn4c(n3)CCCC4)cc2)c1 ZINC000095953709 860717081 /nfs/dbraw/zinc/71/70/81/860717081.db2.gz XIZCDDZZKGLFMM-UHFFFAOYSA-N -1 1 395.484 3.890 50 0 GHAAMM Cc1ccnc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC000021893288 860973779 /nfs/dbraw/zinc/97/37/79/860973779.db2.gz FYQRTIOYTKBFEA-UHFFFAOYSA-N -1 1 385.420 3.582 50 0 GHAAMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)o1 ZINC000173353540 864641289 /nfs/dbraw/zinc/64/12/89/864641289.db2.gz RGMOSYLFGVFASZ-CYBMUJFWSA-N -1 1 377.384 3.527 50 0 GHAAMM COc1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)cc1Cl ZINC000004671180 204062056 /nfs/dbraw/zinc/06/20/56/204062056.db2.gz WCTDCZQRVXVZDL-UHFFFAOYSA-N -1 1 388.832 3.868 50 0 GHAAMM CC(C)C(=O)N1CCCc2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc21 ZINC000005136587 204113699 /nfs/dbraw/zinc/11/36/99/204113699.db2.gz FGRQTODOFKZIMV-UHFFFAOYSA-N -1 1 376.453 3.562 50 0 GHAAMM Cc1ccc([O-])c(C(=O)c2coc(=N)c(C(=O)Nc3c(C)cccc3C)c2)c1 ZINC000005868867 204153922 /nfs/dbraw/zinc/15/39/22/204153922.db2.gz WSZOLEZXIWELTO-UHFFFAOYSA-N -1 1 376.412 3.873 50 0 GHAAMM CC(=O)c1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1 ZINC000006056460 204163080 /nfs/dbraw/zinc/16/30/80/204163080.db2.gz ADBOYVADMFXONQ-UHFFFAOYSA-N -1 1 394.452 3.942 50 0 GHAAMM CC(=O)N1CCSc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc21 ZINC000006779059 204204759 /nfs/dbraw/zinc/20/47/59/204204759.db2.gz QUTRIEXDVPSJEX-UHFFFAOYSA-N -1 1 376.503 3.563 50 0 GHAAMM CC(=O)N1C[C@H](C)Sc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc21 ZINC000006779487 204205125 /nfs/dbraw/zinc/20/51/25/204205125.db2.gz SXHGFICMZRLTEB-AWEZNQCLSA-N -1 1 390.530 3.951 50 0 GHAAMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CC2)c1 ZINC000006866540 204216679 /nfs/dbraw/zinc/21/66/79/204216679.db2.gz MPUZYEKNRIPFKC-HNNXBMFYSA-N -1 1 384.501 3.792 50 0 GHAAMM Cc1ccc(Nc2nc([O-])c(CC(=O)NCc3ccc(Cl)cc3)s2)cc1 ZINC000007784889 204251115 /nfs/dbraw/zinc/25/11/15/204251115.db2.gz YCSXKHBFMCOMLN-INIZCTEOSA-N -1 1 387.892 3.765 50 0 GHAAMM CCCN1CCCc2cc(CC[N-]S(=O)(=O)c3cc(F)ccc3F)ccc21 ZINC000035588101 204262529 /nfs/dbraw/zinc/26/25/29/204262529.db2.gz JDMXITQCUDKJND-UHFFFAOYSA-N -1 1 394.487 3.648 50 0 GHAAMM COCCN1CCCc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3C)cc21 ZINC000035588269 204267255 /nfs/dbraw/zinc/26/72/55/204267255.db2.gz JLMNWBLUDWAMKV-UHFFFAOYSA-N -1 1 394.924 3.848 50 0 GHAAMM COc1cc(C)c(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)cc1OC ZINC000011647856 204347963 /nfs/dbraw/zinc/34/79/63/204347963.db2.gz QDDFECXMSBEJKT-UHFFFAOYSA-N -1 1 390.490 3.634 50 0 GHAAMM COc1cc(-c2cc(C)no2)ccc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000064979415 205205003 /nfs/dbraw/zinc/20/50/03/205205003.db2.gz RPYJZXJXVCHVDF-UHFFFAOYSA-N -1 1 380.372 3.738 50 0 GHAAMM CCCNC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc21 ZINC000064861567 205197891 /nfs/dbraw/zinc/19/78/91/205197891.db2.gz AABBXTVYQHBDMV-UHFFFAOYSA-N -1 1 393.896 3.623 50 0 GHAAMM CC(C)c1ncc(C(=O)N2CCC[C@H](CCc3ccc(F)c(F)c3)C2)c(=O)[n-]1 ZINC000071774657 205297732 /nfs/dbraw/zinc/29/77/32/205297732.db2.gz GWKITIOMOXFSLY-OAHLLOKOSA-N -1 1 389.446 3.657 50 0 GHAAMM O=C1CCCCN1c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000005330047 136194724 /nfs/dbraw/zinc/19/47/24/136194724.db2.gz XPABMKNNUYFXTM-UHFFFAOYSA-N -1 1 384.501 3.883 50 0 GHAAMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)c1 ZINC000015730448 570222429 /nfs/dbraw/zinc/22/24/29/570222429.db2.gz AIYORIVBLTWNDX-ZDUSSCGKSA-N -1 1 376.503 3.927 50 0 GHAAMM O=c1[n-]c(=S)ccn1[C@H](NC(=S)c1ccccc1)C(Cl)(Cl)Cl ZINC000000941247 570230822 /nfs/dbraw/zinc/23/08/22/570230822.db2.gz RCMVOZXRJXSTQG-NSHDSACASA-N -1 1 394.736 3.740 50 0 GHAAMM Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000001118988 570243477 /nfs/dbraw/zinc/24/34/77/570243477.db2.gz ROWJDLHXBGZKJH-UHFFFAOYSA-N -1 1 396.468 3.813 50 0 GHAAMM COC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc21 ZINC000001119169 570243544 /nfs/dbraw/zinc/24/35/44/570243544.db2.gz LFLLHPRIVLLMNI-UHFFFAOYSA-N -1 1 377.393 3.776 50 0 GHAAMM CCc1cccc(-n2nc(C)c3c2NC(=O)C[C@H]3C(=O)c2ccc([O-])cc2)c1 ZINC000035170898 570243622 /nfs/dbraw/zinc/24/36/22/570243622.db2.gz XQRQMCBAVKLVJL-GOSISDBHSA-N -1 1 375.428 3.757 50 0 GHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1Cl ZINC000002860443 570311082 /nfs/dbraw/zinc/31/10/82/570311082.db2.gz FCETUNYQCWSVCQ-UHFFFAOYSA-N -1 1 376.659 3.912 50 0 GHAAMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nnnn3C3CC3)c2)cc1 ZINC000022314077 570313010 /nfs/dbraw/zinc/31/30/10/570313010.db2.gz UNIDNMDNTVKMTG-CQSZACIVSA-N -1 1 397.504 3.989 50 0 GHAAMM O=C([O-])[C@@H](c1c2ccccc2[nH]c1-c1ccccc1)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000020715993 570324401 /nfs/dbraw/zinc/32/44/01/570324401.db2.gz MXFKKMXYRDBUCK-FOIQADDNSA-N -1 1 378.428 3.757 50 0 GHAAMM O=C([O-])c1cccc(S(=O)(=O)Nc2ccccc2SCC(F)(F)F)c1 ZINC000022475015 570347281 /nfs/dbraw/zinc/34/72/81/570347281.db2.gz OGAGBYCNQSUFMR-UHFFFAOYSA-N -1 1 391.392 3.840 50 0 GHAAMM CCCCCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1[O-] ZINC000024755869 570391608 /nfs/dbraw/zinc/39/16/08/570391608.db2.gz SYMONBDMGPFTBD-UHFFFAOYSA-N -1 1 392.477 3.720 50 0 GHAAMM COc1ccc([O-])c(C(=O)c2cnn(-c3ccc(OC(F)(F)F)cc3)c2)c1 ZINC000012986989 570407272 /nfs/dbraw/zinc/40/72/72/570407272.db2.gz AYWWXRNZZULPKI-UHFFFAOYSA-N -1 1 378.306 3.716 50 0 GHAAMM CCc1ccc(S(=O)(=O)[N-]c2cc3sc(NC(C)=O)nc3c(C)c2)cc1 ZINC000033007789 570620854 /nfs/dbraw/zinc/62/08/54/570620854.db2.gz UMXGROAOBBMICE-UHFFFAOYSA-N -1 1 389.502 3.926 50 0 GHAAMM O=C(Cn1cc(C=C2SC(=O)[N-]C2=O)c2ccccc21)Nc1ccccc1 ZINC000012436694 570662569 /nfs/dbraw/zinc/66/25/69/570662569.db2.gz XABSOMJZRVAEGS-YVLHZVERSA-N -1 1 377.425 3.604 50 0 GHAAMM COc1cc([N-]S(=O)(=O)c2ccc(Br)c(C)c2)cc(OC)c1 ZINC000005602606 570668154 /nfs/dbraw/zinc/66/81/54/570668154.db2.gz WTWLFTXFOHWFJP-UHFFFAOYSA-N -1 1 386.267 3.576 50 0 GHAAMM CCc1ccc([C@@H]([N-]S(=O)(=O)c2c(C)noc2C)c2cccs2)cc1 ZINC000017332546 570704402 /nfs/dbraw/zinc/70/44/02/570704402.db2.gz GLPIPGAXFOTMFP-QGZVFWFLSA-N -1 1 376.503 3.983 50 0 GHAAMM Cc1ccc2nc(-c3ccc(NC(=O)Cc4sc(N)nc4[O-])cc3)sc2c1 ZINC000005815205 570786545 /nfs/dbraw/zinc/78/65/45/570786545.db2.gz GPXDJKACFKJJKD-HNNXBMFYSA-N -1 1 396.497 3.557 50 0 GHAAMM COc1ccc(CN(C)Cc2cc(=O)n3[n-]c(-c4cccc(C)c4)cc3n2)cc1 ZINC000033126233 570819147 /nfs/dbraw/zinc/81/91/47/570819147.db2.gz WZVCWOMZXUMEHM-UHFFFAOYSA-N -1 1 388.471 3.639 50 0 GHAAMM CC(C)CCNC(=O)c1ccc2[n-]cc3c(=O)n(-c4ccc(F)cc4)nc-3c2c1 ZINC000101828624 570836399 /nfs/dbraw/zinc/83/63/99/570836399.db2.gz XRNSCAOVRJWJQD-UHFFFAOYSA-N -1 1 392.434 3.734 50 0 GHAAMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(Br)ccc2C)cc1 ZINC000007418045 570839008 /nfs/dbraw/zinc/83/90/08/570839008.db2.gz KSNVOOYYMBRPBV-UHFFFAOYSA-N -1 1 398.278 3.735 50 0 GHAAMM CSc1ccc([C@@H]2c3c(nc(N)[n-]c3=O)N=C3c4ccccc4C(=O)C32)cc1 ZINC000102679657 570858182 /nfs/dbraw/zinc/85/81/82/570858182.db2.gz IZQYVOJOYIQHLL-AWEZNQCLSA-N -1 1 388.452 3.623 50 0 GHAAMM Cc1ccc(O)c(CN[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)n1 ZINC000103342434 570881587 /nfs/dbraw/zinc/88/15/87/570881587.db2.gz HJQMNWOIIJXWAB-KRWDZBQOSA-N -1 1 393.409 3.568 50 0 GHAAMM CSc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1C(=O)N1CCCC1 ZINC000016652148 570929881 /nfs/dbraw/zinc/92/98/81/570929881.db2.gz ZLSBMORSJMTGAM-UHFFFAOYSA-N -1 1 394.493 3.584 50 0 GHAAMM Cc1cc(C(=O)Nn2c(=O)c3c([n-]c2=S)sc2c3CCCC2)cs1 ZINC000017077258 570938897 /nfs/dbraw/zinc/93/88/97/570938897.db2.gz BGOGXSOOEOYJGO-UHFFFAOYSA-N -1 1 377.516 3.753 50 0 GHAAMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC3)cc2)c(C)cc1Cl ZINC000017080311 570940900 /nfs/dbraw/zinc/94/09/00/570940900.db2.gz TWYZLCNJZOKNLT-UHFFFAOYSA-N -1 1 392.908 3.994 50 0 GHAAMM O=C(c1cnc(C23CC4CC(CC(C4)C2)C3)[n-]c1=O)N1CCC2(CCCC2)C1 ZINC000091769323 571029765 /nfs/dbraw/zinc/02/97/65/571029765.db2.gz WLONLSOYMDHRPB-UHFFFAOYSA-N -1 1 381.520 3.644 50 0 GHAAMM Cc1ccc(-c2ncc(C(=O)N3CC[C@@H](c4ccccc4F)C3)c(=O)[n-]2)cc1 ZINC000091908171 571035566 /nfs/dbraw/zinc/03/55/66/571035566.db2.gz QLYIGPGKZHWRRS-MRXNPFEDSA-N -1 1 377.419 3.514 50 0 GHAAMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)n1 ZINC000011443384 571045859 /nfs/dbraw/zinc/04/58/59/571045859.db2.gz JAJFTBQWVFYXJN-QMMMGPOBSA-N -1 1 387.292 3.544 50 0 GHAAMM O=C(Cc1sc(N2CCCCC2)nc1[O-])Nc1cccc(C(F)(F)F)c1 ZINC000002646461 861462914 /nfs/dbraw/zinc/46/29/14/861462914.db2.gz YFQAKEJZJFOMGC-CYBMUJFWSA-N -1 1 385.411 3.518 50 0 GHAAMM Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)NCCc1c[nH]c2ccccc12 ZINC000004088467 862773577 /nfs/dbraw/zinc/77/35/77/862773577.db2.gz IQJGEKWVNKIXCX-UHFFFAOYSA-N -1 1 390.439 3.580 50 0 biogenic GHAAMM CCC(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2C1 ZINC000008976970 856683271 /nfs/dbraw/zinc/68/32/71/856683271.db2.gz ZFNBHQMGYLZILF-UHFFFAOYSA-N -1 1 394.496 3.935 50 0 GHAAMM CCN1c2ccc([N-]S(=O)(=O)c3cccc(C)c3)cc2OCC(C)(C)C1=O ZINC000009166255 856925250 /nfs/dbraw/zinc/92/52/50/856925250.db2.gz MTWBMUAVYLAHTJ-UHFFFAOYSA-N -1 1 388.489 3.567 50 0 GHAAMM CC1(C)COc2ccc([N-]S(=O)(=O)c3cccc4ccccc43)cc2NC1=O ZINC000009173561 856930613 /nfs/dbraw/zinc/93/06/13/856930613.db2.gz GJNSTGPQCYBUEG-UHFFFAOYSA-N -1 1 396.468 3.998 50 0 GHAAMM COc1ccc(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)nn1 ZINC000005204241 204119191 /nfs/dbraw/zinc/11/91/91/204119191.db2.gz HRLXNQGHUHJRGV-UHFFFAOYSA-N -1 1 375.837 3.606 50 0 GHAAMM CCNc1c2ccccc2oc(=O)c1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000006784671 204204699 /nfs/dbraw/zinc/20/46/99/204204699.db2.gz BSOKIGZZCOTTJH-UHFFFAOYSA-N -1 1 384.866 3.741 50 0 GHAAMM COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000007005053 204230171 /nfs/dbraw/zinc/23/01/71/204230171.db2.gz HNBKJYJZOJTAPK-UHFFFAOYSA-N -1 1 380.372 3.738 50 0 GHAAMM O=S(=O)([N-]c1cc(Cl)ccc1N1CCOCC1)c1ccc(Cl)cc1 ZINC000007059943 204231475 /nfs/dbraw/zinc/23/14/75/204231475.db2.gz IROJKMQHCQSZSG-UHFFFAOYSA-N -1 1 387.288 3.631 50 0 GHAAMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2OC)n1 ZINC000011443387 204346348 /nfs/dbraw/zinc/34/63/48/204346348.db2.gz UTTFHOXMHQFTBI-SNVBAGLBSA-N -1 1 381.885 3.504 50 0 GHAAMM CC(=O)N1CCSc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc21 ZINC000032943714 204932333 /nfs/dbraw/zinc/93/23/33/204932333.db2.gz KVDYHDZZEIKGND-UHFFFAOYSA-N -1 1 376.503 3.563 50 0 GHAAMM CCc1noc(-c2c(C)n(C)c(C)c2S(=O)(=O)[N-]c2cc(C)ccc2F)n1 ZINC000065194579 205216951 /nfs/dbraw/zinc/21/69/51/205216951.db2.gz XVKBXLLSLKUGCN-UHFFFAOYSA-N -1 1 392.456 3.503 50 0 GHAAMM CC(=O)N1CC(C)(C)c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)ccc21 ZINC000065020777 205205848 /nfs/dbraw/zinc/20/58/48/205205848.db2.gz CDZUWSFPFLMHDQ-UHFFFAOYSA-N -1 1 378.881 3.785 50 0 GHAAMM Cc1nc2ccccc2n1CCCNC(=O)c1ccc(Br)cc1[O-] ZINC000066043391 205239478 /nfs/dbraw/zinc/23/94/78/205239478.db2.gz LAJDETSOVLMJNB-UHFFFAOYSA-N -1 1 388.265 3.633 50 0 GHAAMM CCOC(=O)Cn1nc(C)c2c1NC(=O)CS[C@H]2c1ccc([O-])c(Cl)c1 ZINC000079481559 205383690 /nfs/dbraw/zinc/38/36/90/205383690.db2.gz XJSJRLCQOYQRJN-INIZCTEOSA-N -1 1 395.868 3.538 50 0 GHAAMM CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccccc1)C(C(=O)OC(C)C)=C(C)N2 ZINC000017781393 205911256 /nfs/dbraw/zinc/91/12/56/205911256.db2.gz SEQPDOKLJVFGOF-HNNXBMFYSA-N -1 1 385.489 3.665 50 0 GHAAMM C[C@@H](c1cccs1)N(C)Cc1cc(-c2ncccn2)ccc1OCC(=O)[O-] ZINC000299772037 206189089 /nfs/dbraw/zinc/18/90/89/206189089.db2.gz YBXOSTHZHFZQSI-AWEZNQCLSA-N -1 1 383.473 3.862 50 0 GHAAMM CCc1cc2c(COC(=O)c3cccc(C)c3NC(C)=O)cc(=O)oc2cc1[O-] ZINC000011812388 221126738 /nfs/dbraw/zinc/12/67/38/221126738.db2.gz FPMKQPQFJGAWBN-UHFFFAOYSA-N -1 1 395.411 3.685 50 0 GHAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)nc2n3CCCCC2)cc1 ZINC000012556820 221206672 /nfs/dbraw/zinc/20/66/72/221206672.db2.gz IPFVEKJXTZWTPZ-UHFFFAOYSA-N -1 1 398.488 3.522 50 0 GHAAMM Cc1ccc(Nc2nc(-c3cnc(N4CCC(C)CC4)nc3C)cc(=O)[n-]2)cc1 ZINC000039383664 132391013 /nfs/dbraw/zinc/39/10/13/132391013.db2.gz YISVWFPVYIIZKU-UHFFFAOYSA-N -1 1 390.491 3.824 50 0 GHAAMM CCOC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4cccc(C)c4)c3[n-]2)C1 ZINC000064611576 535525866 /nfs/dbraw/zinc/52/58/66/535525866.db2.gz UEGGJABCTSUXFX-OAHLLOKOSA-N -1 1 397.500 3.740 50 0 GHAAMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)cc1 ZINC000015730280 570222572 /nfs/dbraw/zinc/22/25/72/570222572.db2.gz VYDBIPNUDJAKLX-NSHDSACASA-N -1 1 390.486 3.513 50 0 GHAAMM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)C[C@@H](C)S3)c1C ZINC000015730341 570222592 /nfs/dbraw/zinc/22/25/92/570222592.db2.gz FCNZILLFCOLGIH-GFCCVEGCSA-N -1 1 376.503 3.927 50 0 GHAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2C)cc1 ZINC000000854686 570226895 /nfs/dbraw/zinc/22/68/95/570226895.db2.gz DWOFFDIVWHYFII-UHFFFAOYSA-N -1 1 383.267 3.517 50 0 GHAAMM COC(=O)C1=C(C)Nc2nc(SCC(C)C)[n-]c(=O)c2[C@@H]1c1ccccc1 ZINC000101237956 570281847 /nfs/dbraw/zinc/28/18/47/570281847.db2.gz SZOXVVGUUIIGTB-OAHLLOKOSA-N -1 1 385.489 3.522 50 0 GHAAMM CCc1nc(-c2cc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)ccc2OC)no1 ZINC000035538857 570391256 /nfs/dbraw/zinc/39/12/56/570391256.db2.gz UBVVSUQPEGBRQQ-UHFFFAOYSA-N -1 1 387.461 3.725 50 0 GHAAMM Cc1ccc(-c2noc(CSc3nc(N)c(-c4ccccc4)c(=O)[n-]3)n2)cc1 ZINC000004755640 570403362 /nfs/dbraw/zinc/40/33/62/570403362.db2.gz KUOGKQJCTXTGAT-UHFFFAOYSA-N -1 1 391.456 3.670 50 0 GHAAMM Cc1cc(=O)[n-]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccccc2C)n1 ZINC000011854363 570438881 /nfs/dbraw/zinc/43/88/81/570438881.db2.gz PHDULLMZKHRMNP-UHFFFAOYSA-N -1 1 391.456 3.553 50 0 GHAAMM O=S(=O)([N-]c1cccc(C2OCCCO2)c1)c1ccc(Br)cc1 ZINC000030836282 570497353 /nfs/dbraw/zinc/49/73/53/570497353.db2.gz QNHUEFJXLBGZIT-UHFFFAOYSA-N -1 1 398.278 3.685 50 0 GHAAMM Cc1ccc(NC(=O)[C@H](C)Sc2nc3c(c(=O)[n-]2)CCCC3)cc1Cl ZINC000008587363 570535047 /nfs/dbraw/zinc/53/50/47/570535047.db2.gz AGTATSZFZZNXDZ-NSHDSACASA-N -1 1 377.897 3.730 50 0 GHAAMM COc1cc(NC(=O)c2cc(Cl)ccc2Cl)ccc1[N-]S(C)(=O)=O ZINC000033067319 570749848 /nfs/dbraw/zinc/74/98/48/570749848.db2.gz FPEZAZURZIMODH-UHFFFAOYSA-N -1 1 389.260 3.626 50 0 GHAAMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(N3CCCC3)cc2C)n1 ZINC000018226674 570811431 /nfs/dbraw/zinc/81/14/31/570811431.db2.gz VNJWULCYXCYDPL-UHFFFAOYSA-N -1 1 386.521 3.774 50 0 GHAAMM CN(Cc1ccc(F)cc1)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000012526075 570830894 /nfs/dbraw/zinc/83/08/94/570830894.db2.gz KKKGIRSJARCMFS-UHFFFAOYSA-N -1 1 398.459 3.899 50 0 GHAAMM CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000012536083 570835817 /nfs/dbraw/zinc/83/58/17/570835817.db2.gz DQMFKRRFXGSDSS-UHFFFAOYSA-N -1 1 382.432 3.684 50 0 GHAAMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(Br)ccc2C)c1 ZINC000007417658 570838903 /nfs/dbraw/zinc/83/89/03/570838903.db2.gz DZLYVGXDKDNWTC-UHFFFAOYSA-N -1 1 383.267 3.517 50 0 GHAAMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)nc1 ZINC000012548633 570850678 /nfs/dbraw/zinc/85/06/78/570850678.db2.gz QBQCILOWXLIVAT-UHFFFAOYSA-N -1 1 385.420 3.582 50 0 GHAAMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccnc(Sc3ccccn3)c2)c1 ZINC000057785731 862244081 /nfs/dbraw/zinc/24/40/81/862244081.db2.gz NIYXPOISSIZUHU-UHFFFAOYSA-N -1 1 385.470 3.631 50 0 GHAAMM CCN(CC)C(=O)c1ccc(NC(=O)c2c([O-])cnc3ccc(F)cc32)cc1 ZINC000253406275 855047242 /nfs/dbraw/zinc/04/72/42/855047242.db2.gz XSLCWEJIRKOOSO-UHFFFAOYSA-N -1 1 381.407 3.814 50 0 GHAAMM CC1(C)COc2cc([N-]S(=O)(=O)c3cccc4ccccc43)ccc2NC1=O ZINC000009168933 856926303 /nfs/dbraw/zinc/92/63/03/856926303.db2.gz STSZGATUXAWIMY-UHFFFAOYSA-N -1 1 396.468 3.998 50 0 GHAAMM COc1cc([N-]S(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)cc(OC)c1 ZINC000020580093 860613204 /nfs/dbraw/zinc/61/32/04/860613204.db2.gz KOCPVEUKWWDAJC-UHFFFAOYSA-N -1 1 388.445 3.776 50 0 GHAAMM CC(=O)Nc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cs1 ZINC000020852596 860655729 /nfs/dbraw/zinc/65/57/29/860655729.db2.gz ONMDOVWYHXINRA-UHFFFAOYSA-N -1 1 387.486 3.878 50 0 GHAAMM O=C1Cc2cc(S(=O)(=O)[N-]c3cccc(/C=C\c4ccccn4)c3)ccc2N1 ZINC000096878907 915121940 /nfs/dbraw/zinc/12/19/40/915121940.db2.gz JMLCXUPJBAMNOQ-FPLPWBNLSA-N -1 1 391.452 3.547 50 0 GHAAMM O=S(=O)([N-]c1cc(Cl)ccc1N1CCCC1)c1ccc2c(c1)OCCO2 ZINC000005938996 204159306 /nfs/dbraw/zinc/15/93/06/204159306.db2.gz OCYKTONAAPVPBV-UHFFFAOYSA-N -1 1 394.880 3.512 50 0 GHAAMM Cc1nnc([N-]C(=O)c2nc(SCc3ccc(F)cc3)ncc2Cl)s1 ZINC000006748084 204198717 /nfs/dbraw/zinc/19/87/17/204198717.db2.gz YIQMQRDKWMHLGF-UHFFFAOYSA-N -1 1 395.872 3.974 50 0 GHAAMM O=C1CCCN1c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000007612581 204243546 /nfs/dbraw/zinc/24/35/46/204243546.db2.gz KPFPFPRKBLDIKW-UHFFFAOYSA-N -1 1 385.272 3.921 50 0 GHAAMM CCCSc1nc2c(c(=O)[n-]1)[C@H](c1cccs1)C(C(=O)OCC)=C(C)N2 ZINC000007990969 204258561 /nfs/dbraw/zinc/25/85/61/204258561.db2.gz WGIKLMKMUFLDJJ-CYBMUJFWSA-N -1 1 391.518 3.728 50 0 GHAAMM O=C(Cc1sc(N2CCCCC2)nc1[O-])Nc1cccc(Cl)c1Cl ZINC000007777292 204250445 /nfs/dbraw/zinc/25/04/45/204250445.db2.gz QXZWIIXYHJAOBH-GFCCVEGCSA-N -1 1 386.304 3.806 50 0 GHAAMM O=C(COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)Nc1nccs1 ZINC000009048091 204296480 /nfs/dbraw/zinc/29/64/80/204296480.db2.gz SVOLDTOYYZYRQB-UHFFFAOYSA-N -1 1 394.408 3.640 50 0 biogenic GHAAMM O=C(COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)Nc1nccs1 ZINC000009048091 204296482 /nfs/dbraw/zinc/29/64/82/204296482.db2.gz SVOLDTOYYZYRQB-UHFFFAOYSA-N -1 1 394.408 3.640 50 0 biogenic GHAAMM Cc1nc(SCc2nc(-c3ccc(C(F)(F)F)cc3)no2)[n-]c(=O)c1C ZINC000044168999 205085257 /nfs/dbraw/zinc/08/52/57/205085257.db2.gz HSJDDKADJSEXKQ-UHFFFAOYSA-N -1 1 382.367 3.748 50 0 GHAAMM CCN(Cc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1C)C(C)=O ZINC000048355381 205121375 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570865320 /nfs/dbraw/zinc/86/53/20/570865320.db2.gz SUIKZLUSCSNXPJ-UHFFFAOYSA-N -1 1 390.418 3.584 50 0 GHAAMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3oc4ccccc4c3c2)cc1 ZINC000012584500 570880374 /nfs/dbraw/zinc/88/03/74/570880374.db2.gz GFPKZPQJPXNBCU-UHFFFAOYSA-N -1 1 380.425 3.746 50 0 GHAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccccc1)C(C(=O)OC)=C(C)N2 ZINC000017271173 570944771 /nfs/dbraw/zinc/94/47/71/570944771.db2.gz UEYNSYSKPDOLCH-OAHLLOKOSA-N -1 1 385.489 3.667 50 0 GHAAMM CC(C)c1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)CCc2ccccc2)n1 ZINC000012126385 570959667 /nfs/dbraw/zinc/95/96/67/570959667.db2.gz LOBQTKJUKNDCHH-UHFFFAOYSA-N -1 1 391.475 3.528 50 0 GHAAMM CC(C)c1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)CCC2CCCC2)n1 ZINC000012125941 570959755 /nfs/dbraw/zinc/95/97/55/570959755.db2.gz JHYWUUXIULFAFS-UHFFFAOYSA-N -1 1 383.496 3.865 50 0 GHAAMM Cc1nc(-c2ncc(C(=O)N3CCC(c4ccccc4)CC3)c(=O)[n-]2)cs1 ZINC000091494180 571011688 /nfs/dbraw/zinc/01/16/88/571011688.db2.gz JLYSZKNVDMCVFT-UHFFFAOYSA-N -1 1 380.473 3.634 50 0 GHAAMM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3ccc4occ(C)c4c3)cc21 ZINC000187079558 837554065 /nfs/dbraw/zinc/55/40/65/837554065.db2.gz MDBQEWSJLQPCMO-UHFFFAOYSA-N -1 1 384.457 3.841 50 0 GHAAMM CCOc1ccc(Nc2nc([O-])c(CC(=O)Nc3cccc(C)c3)s2)cc1 ZINC000005931091 842044248 /nfs/dbraw/zinc/04/42/48/842044248.db2.gz BWBRJRJNZAONMB-KRWDZBQOSA-N -1 1 383.473 3.832 50 0 GHAAMM COC(=O)C[C@@H](c1c(Cc2ccccc2)[n-][nH]c1=O)c1cc(F)c(F)c(F)c1 ZINC000096117558 860787012 /nfs/dbraw/zinc/78/70/12/860787012.db2.gz BHVZTKKHGXLCAJ-CYBMUJFWSA-N -1 1 390.361 3.818 50 0 GHAAMM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(I)cc1 ZINC000004821235 204079014 /nfs/dbraw/zinc/07/90/14/204079014.db2.gz UQVPAWOOYZZANB-UHFFFAOYSA-N -1 1 393.633 3.745 50 0 GHAAMM O=C(CSc1nccc(=O)[n-]1)N(CCc1ccccc1)Cc1ccccc1 ZINC000004864475 204083505 /nfs/dbraw/zinc/08/35/05/204083505.db2.gz ONKHUCRJZCMZJJ-UHFFFAOYSA-N -1 1 379.485 3.546 50 0 GHAAMM CC(=O)N1CCOc2cc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)c(C)cc21 ZINC000006779634 204205019 /nfs/dbraw/zinc/20/50/19/204205019.db2.gz BNTSJZBFZJXJRU-UHFFFAOYSA-N -1 1 388.489 3.665 50 0 GHAAMM COc1cc(-c2nc3c(c(=O)[n-]2)Cc2cc(F)ccc2O3)cc(OC)c1OC ZINC000006748518 204199276 /nfs/dbraw/zinc/19/92/76/204199276.db2.gz KEZLUYGYAUYVFI-UHFFFAOYSA-N -1 1 384.363 3.711 50 0 GHAAMM COc1cc(-c2nc3c(c(=O)[n-]2)Cc2cccc(C)c2O3)cc(OC)c1OC ZINC000006748490 204199794 /nfs/dbraw/zinc/19/97/94/204199794.db2.gz JUHJCGPIZJSDSI-UHFFFAOYSA-N -1 1 380.400 3.880 50 0 GHAAMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCCC3)cc2)cc1 ZINC000008181085 204264573 /nfs/dbraw/zinc/26/45/73/204264573.db2.gz VNGGEMAVFNIXHV-UHFFFAOYSA-N -1 1 388.489 3.512 50 0 GHAAMM CCc1cccc(CC)c1NC(=O)[C@@H](C)Sc1nc2c(c(=O)[n-]1)CCCC2 ZINC000011903514 204361403 /nfs/dbraw/zinc/36/14/03/204361403.db2.gz ZWNDAYKZKQGFDR-CYBMUJFWSA-N -1 1 385.533 3.893 50 0 GHAAMM CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)OC)ccc2C)cc1 ZINC000036739315 205022451 /nfs/dbraw/zinc/02/24/51/205022451.db2.gz WQYHNIXLHRJXIL-UHFFFAOYSA-N -1 1 390.505 3.772 50 0 GHAAMM CCCn1c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2sc1=O ZINC000046017476 205101692 /nfs/dbraw/zinc/10/16/92/205101692.db2.gz PGKNLQNKVGZOGG-UHFFFAOYSA-N -1 1 380.466 3.721 50 0 GHAAMM COc1cc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc(OC)c1 ZINC000058420580 205175345 /nfs/dbraw/zinc/17/53/45/205175345.db2.gz YXJCFEAECJWFQL-UHFFFAOYSA-N -1 1 379.331 3.663 50 0 GHAAMM Cc1c(-c2nnc(C3CC3)o2)n(C)c(C)c1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000065186556 205216845 /nfs/dbraw/zinc/21/68/45/205216845.db2.gz PNAZNKRIKDDQGF-UHFFFAOYSA-N -1 1 386.477 3.679 50 0 GHAAMM CC(=O)N1CCCSc2ccc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)cc21 ZINC000064952128 205202655 /nfs/dbraw/zinc/20/26/55/205202655.db2.gz PANQWOMMHUVYJV-UHFFFAOYSA-N -1 1 398.456 3.614 50 0 GHAAMM O=C([N-]OCc1ccccc1)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000065627943 205239504 /nfs/dbraw/zinc/23/95/04/205239504.db2.gz GNSAHKSJNXEGMQ-CYBMUJFWSA-N -1 1 379.243 3.594 50 0 GHAAMM Cc1ccc([N-]C(=O)c2nc(-c3cn(-c4ccc(Cl)cc4)nn3)no2)c(F)c1 ZINC000065236760 205220859 /nfs/dbraw/zinc/22/08/59/205220859.db2.gz SUFWJGCAPIYOST-UHFFFAOYSA-N -1 1 398.785 3.671 50 0 GHAAMM Cc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NC[C@H]2CCCO2)c(F)c1 ZINC000067298748 205245963 /nfs/dbraw/zinc/24/59/63/205245963.db2.gz LDZBFXVNGIUWPM-WGJYXZIMSA-N -1 1 396.418 3.727 50 0 GHAAMM Cc1cc(N2CC[C@@H](c3ccccc3C(=O)[O-])C2)nc(-c2ccccc2O)n1 ZINC000072172541 205317913 /nfs/dbraw/zinc/31/79/13/205317913.db2.gz MNCXZKNHFAJOGF-OAHLLOKOSA-N -1 1 375.428 3.850 50 0 GHAAMM COc1ccc([C@@H]2CCCCN2C(=O)c2cnc(-c3ccccc3)[n-]c2=O)cc1 ZINC000092077662 205434514 /nfs/dbraw/zinc/43/45/14/205434514.db2.gz HHNMNHCJKZJVGU-FQEVSTJZSA-N -1 1 389.455 3.813 50 0 GHAAMM CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)ccc2o1 ZINC000032097534 206088274 /nfs/dbraw/zinc/08/82/74/206088274.db2.gz RKRWOCSFZWUJLW-UHFFFAOYSA-N -1 1 387.417 3.773 50 0 GHAAMM C[C@H](CCc1ccco1)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000012557034 221206872 /nfs/dbraw/zinc/20/68/72/221206872.db2.gz SCLCKEJIKBQMJZ-MRXNPFEDSA-N -1 1 398.484 3.832 50 0 GHAAMM CCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc21 ZINC000021756665 136203259 /nfs/dbraw/zinc/20/32/59/136203259.db2.gz VIRDBUWIBWNOOY-UHFFFAOYSA-N -1 1 396.871 3.969 50 0 GHAAMM CCOC(=O)C1CCN(c2nc(=O)c3scc(-c4cccc(C)c4)c3[n-]2)CC1 ZINC000064611580 535605562 /nfs/dbraw/zinc/60/55/62/535605562.db2.gz ZRLBZIDENNZIMP-UHFFFAOYSA-N -1 1 397.500 3.740 50 0 GHAAMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3ccccc3)c2)cc1 ZINC000000754796 570222278 /nfs/dbraw/zinc/22/22/78/570222278.db2.gz LNZSHJQCFBKTDL-UHFFFAOYSA-N -1 1 380.469 3.726 50 0 GHAAMM O=C([O-])[C@H](c1c[nH]c2ccc(Cl)cc21)N1CCN(Cc2ccccc2)CC1 ZINC000020677489 570275070 /nfs/dbraw/zinc/27/50/70/570275070.db2.gz SVPRMEZERUZPMJ-FQEVSTJZSA-N -1 1 383.879 3.765 50 0 GHAAMM O=C([O-])[C@H](c1c2ccccc2[nH]c1-c1ccccc1)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000226934492 570375542 /nfs/dbraw/zinc/37/55/42/570375542.db2.gz MXFKKMXYRDBUCK-QRWLVFNGSA-N -1 1 378.428 3.757 50 0 GHAAMM Cn1c(Cc2csc(NC(=O)c3ccc(Cl)cc3F)n2)n[n-]c1=S 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C[C@H](NC(=O)c1cc(Br)ccc1[O-])c1ccc(-n2ccnc2)cc1 ZINC000007735788 571027841 /nfs/dbraw/zinc/02/78/41/571027841.db2.gz GRQPKCDBIDJTDL-LBPRGKRZSA-N -1 1 386.249 3.831 50 0 GHAAMM Cc1nc(SCc2ccccc2)[n-]c(=O)c1CCOC(=O)c1ccccc1 ZINC000004002893 862705255 /nfs/dbraw/zinc/70/52/55/862705255.db2.gz SIEMICRLRRAVOL-UHFFFAOYSA-N -1 1 380.469 3.770 50 0 GHAAMM CCc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NC[C@@H]2CCCO2)cc1 ZINC000067298470 856246946 /nfs/dbraw/zinc/24/69/46/856246946.db2.gz OMGBXSKIOXZIQM-VWOFGYOZSA-N -1 1 392.455 3.842 50 0 GHAAMM Cc1ccc(C(=O)NC2CCCCC2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000007918516 860396662 /nfs/dbraw/zinc/39/66/62/860396662.db2.gz SMBBBQAXKGDRCA-UHFFFAOYSA-N -1 1 390.480 3.997 50 0 GHAAMM CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=Cc3c(c(C)nn3C(C)(C)C)C1=O)O2 ZINC000825291957 864372934 /nfs/dbraw/zinc/37/29/34/864372934.db2.gz CNOVEDUXANYIQF-QFIPXVFZSA-N -1 1 396.443 3.756 50 0 GHAAMM O=C([O-])/C=C/c1ccc(S(=O)(=O)Nc2ccc(Cl)c3cccnc23)cc1 ZINC000040050407 895076478 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GHAAMM O=C(NC[C@H]1CCCO1)c1cc2ccc([O-])cc2o/c1=N\c1cccc(Cl)c1 ZINC000067298656 856248176 /nfs/dbraw/zinc/24/81/76/856248176.db2.gz KAAVSDNYATZXAJ-PJXFJRINSA-N -1 1 398.846 3.933 50 0 GHAAMM Cn1c2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2sc1=O ZINC000008610882 856294301 /nfs/dbraw/zinc/29/43/01/856294301.db2.gz RJWNCHKTMVUDAJ-UHFFFAOYSA-N -1 1 376.503 3.698 50 0 GHAAMM CCCn1c(C)cc(C(=O)CSc2nc([O-])cc(=O)n2C2CCCC2)c1C ZINC000009315434 857111154 /nfs/dbraw/zinc/11/11/54/857111154.db2.gz XGJNWCCUQQCPRY-UHFFFAOYSA-N -1 1 389.521 3.867 50 0 GHAAMM Cc1cccc(S(=O)(=O)[N-]c2ccc3nc([C@H]4CCCO4)[nH]c3c2)c1F ZINC000180491857 878983522 /nfs/dbraw/zinc/98/35/22/878983522.db2.gz PLBDQZGLMDYIMN-OAHLLOKOSA-N -1 1 375.425 3.663 50 0 GHAAMM CCCOC(=O)c1ccc(NC(=O)c2c([O-])n(CC)c3ccccc3c2=O)cc1 ZINC000005738243 915791294 /nfs/dbraw/zinc/79/12/94/915791294.db2.gz ZOPADLNFVYUWFI-UHFFFAOYSA-N -1 1 394.427 3.546 50 0 GHAAMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(C(=O)Nc2ccccn2)c1 ZINC000119997397 231025439 /nfs/dbraw/zinc/02/54/39/231025439.db2.gz NMDXAYHFZPKIGO-UHFFFAOYSA-N -1 1 385.420 3.582 50 0 GHAAMM COc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@H]3C)cc2)c1 ZINC000000631121 206309391 /nfs/dbraw/zinc/30/93/91/206309391.db2.gz DNAJFDBWXWTURG-OAHLLOKOSA-N -1 1 388.489 3.511 50 0 GHAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3oc(C)c(C(=O)OC)c3c2)cc1 ZINC000001166505 206361930 /nfs/dbraw/zinc/36/19/30/206361930.db2.gz BHVVGAIQPZEYDW-UHFFFAOYSA-N -1 1 389.429 3.727 50 0 GHAAMM CCOc1cccc2c1Oc1nc(-c3ccc(OC)c(OC)c3)[n-]c(=O)c1C2 ZINC000004317859 206514628 /nfs/dbraw/zinc/51/46/28/206514628.db2.gz RHQTZFMHFMZVME-UHFFFAOYSA-N -1 1 380.400 3.962 50 0 GHAAMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)C[C@@H](C)S2 ZINC000015730343 207056856 /nfs/dbraw/zinc/05/68/56/207056856.db2.gz TVOOWYDELMPESD-CYBMUJFWSA-N -1 1 376.503 3.927 50 0 GHAAMM CC[C@@H](C)NC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000015869499 207066743 /nfs/dbraw/zinc/06/67/43/207066743.db2.gz MABDXHMDISWFOX-CQSZACIVSA-N -1 1 390.480 3.573 50 0 GHAAMM CC(=O)N1CCCSc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3C)cc21 ZINC000015734511 207058779 /nfs/dbraw/zinc/05/87/79/207058779.db2.gz SERTZUWFFCUPNM-UHFFFAOYSA-N -1 1 394.493 3.784 50 0 GHAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)CC)CCC3)cc1 ZINC000017247976 207087495 /nfs/dbraw/zinc/08/74/95/207087495.db2.gz ACLSDVYJZXPYSC-UHFFFAOYSA-N -1 1 388.489 3.575 50 0 GHAAMM O=C([O-])C1CCN([C@H]2C(=O)Nc3ccc(Cl)cc3[C@@H]2c2ccccc2)CC1 ZINC000020102534 207177503 /nfs/dbraw/zinc/17/75/03/207177503.db2.gz ZZCBMVDTMVTKTJ-RBUKOAKNSA-N -1 1 384.863 3.589 50 0 GHAAMM Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000020247232 207187405 /nfs/dbraw/zinc/18/74/05/207187405.db2.gz AINYJTDCAZCZIU-AEFFLSMTSA-N -1 1 384.819 3.653 50 0 GHAAMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1)c1ccncc1 ZINC000027739423 207330026 /nfs/dbraw/zinc/33/00/26/207330026.db2.gz CQZYCDBPVYIVEJ-UHFFFAOYSA-N -1 1 387.848 3.788 50 0 GHAAMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc3oc(=O)[nH]c3c2)c2ccccc12 ZINC000032591116 207396294 /nfs/dbraw/zinc/39/62/94/207396294.db2.gz NXDLEALBXCRGID-UHFFFAOYSA-N -1 1 398.440 3.862 50 0 GHAAMM CC(C)c1noc(-c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)n1 ZINC000058264742 207772307 /nfs/dbraw/zinc/77/23/07/207772307.db2.gz BLCYHMMNXAONRK-UHFFFAOYSA-N -1 1 379.388 3.939 50 0 GHAAMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H]2c2ccc(Cl)cc2)o1 ZINC000095961551 208247254 /nfs/dbraw/zinc/24/72/54/208247254.db2.gz LKMQGHFCMLKZLB-CQSZACIVSA-N -1 1 396.896 3.597 50 0 GHAAMM O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)Nc2ccc(F)c(F)c2)c1 ZINC000097075194 208336674 /nfs/dbraw/zinc/33/66/74/208336674.db2.gz PUXZJQOCHLHFIH-UHFFFAOYSA-N -1 1 382.171 3.771 50 0 GHAAMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000003266637 570334871 /nfs/dbraw/zinc/33/48/71/570334871.db2.gz JSNXAJFYWNGJLJ-UHFFFAOYSA-N -1 1 399.424 3.987 50 0 GHAAMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2ccccc2C)cc1 ZINC000012979849 570386197 /nfs/dbraw/zinc/38/61/97/570386197.db2.gz NRJQQTACVJFZTN-UHFFFAOYSA-N -1 1 382.489 3.631 50 0 GHAAMM Cc1ccccc1NC(=O)COc1ccc(-c2nc3ccccc3c(=O)[n-]2)cc1 ZINC000220959167 570390542 /nfs/dbraw/zinc/39/05/42/570390542.db2.gz WEMAXYGRSFFSIG-UHFFFAOYSA-N -1 1 385.423 3.916 50 0 GHAAMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCCCC2)cc1 ZINC000006404315 570403469 /nfs/dbraw/zinc/40/34/69/570403469.db2.gz AMLQNHPUCWCLQL-UHFFFAOYSA-N -1 1 390.480 3.951 50 0 GHAAMM Cc1ccc2nc(Nc3nc(CSc4ccccn4)cc(=O)[n-]3)nc(C)c2c1 ZINC000009939007 570563144 /nfs/dbraw/zinc/56/31/44/570563144.db2.gz PQIVSWRZRWWTKV-UHFFFAOYSA-N -1 1 390.472 3.761 50 0 GHAAMM CC(=O)N1C[C@H](C)Sc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc21 ZINC000006779553 570586456 /nfs/dbraw/zinc/58/64/56/570586456.db2.gz JDXVBQDTVPJVPM-ZDUSSCGKSA-N -1 1 376.503 3.643 50 0 GHAAMM CCCn1c2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2sc1=O ZINC000064947119 570603813 /nfs/dbraw/zinc/60/38/13/570603813.db2.gz DDNJOCGMYLJMGS-UHFFFAOYSA-N -1 1 376.503 3.891 50 0 GHAAMM CCCCSc1nnc([N-]C(=O)c2nc(SC)ncc2Cl)s1 ZINC000006810471 570613360 /nfs/dbraw/zinc/61/33/60/570613360.db2.gz INXHRPROHPGLEQ-UHFFFAOYSA-N -1 1 375.932 3.848 50 0 GHAAMM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CC2)c1C ZINC000006866410 570655211 /nfs/dbraw/zinc/65/52/11/570655211.db2.gz FQKONMCLWQOQBK-CQSZACIVSA-N -1 1 384.501 3.792 50 0 GHAAMM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)C1CC1 ZINC000006866435 570655549 /nfs/dbraw/zinc/65/55/49/570655549.db2.gz MTJXGZUTVRAOQQ-AWEZNQCLSA-N -1 1 384.501 3.737 50 0 GHAAMM COc1ccc2nc(-c3ccc(C)c([N-]S(=O)(=O)c4ccccc4)c3)cn2n1 ZINC000012441318 570677069 /nfs/dbraw/zinc/67/70/69/570677069.db2.gz QAEHYAOGAQMJNO-UHFFFAOYSA-N -1 1 394.456 3.514 50 0 GHAAMM CC(=O)N1CCSc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc21 ZINC000006892642 570692091 /nfs/dbraw/zinc/69/20/91/570692091.db2.gz YGJFNGMDUVYOOS-UHFFFAOYSA-N -1 1 382.894 3.599 50 0 GHAAMM CCOC(=O)C1=C(NC(=O)[C@]2(C)CC2(Cl)Cl)[N-]c2ccccc2N=C1C ZINC000058364818 570728815 /nfs/dbraw/zinc/72/88/15/570728815.db2.gz XVDCISZTMUGJJE-KRWDZBQOSA-N -1 1 396.274 3.679 50 0 GHAAMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000007007494 570739824 /nfs/dbraw/zinc/73/98/24/570739824.db2.gz BXMPNZVFYHXOSY-CQSZACIVSA-N -1 1 382.489 3.884 50 0 GHAAMM CCn1c2ccc([N-]S(=O)(=O)c3ccc(C)c(Cl)c3)cc2n(CC)c1=O ZINC000064591857 570755767 /nfs/dbraw/zinc/75/57/67/570755767.db2.gz CLPPESAATRAKHG-UHFFFAOYSA-N -1 1 393.896 3.605 50 0 GHAAMM Cc1cc2oc(-c3ccc(C(=O)[O-])cc3)c(-c3c(O)cc(C)oc3=O)c2c(=O)o1 ZINC000524729949 570764401 /nfs/dbraw/zinc/76/44/01/570764401.db2.gz PBSYBLCTOXRSCX-UHFFFAOYSA-N -1 1 394.335 3.694 50 0 biogenic GHAAMM COc1cc2[n-]cc(C(=O)c3cccc(Br)c3)c(=O)c2cc1OC ZINC000067340942 570779273 /nfs/dbraw/zinc/77/92/73/570779273.db2.gz OOJMFECJAJALKB-UHFFFAOYSA-N -1 1 388.217 3.539 50 0 GHAAMM Cc1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)[C@@H]3C)cc1Cl ZINC000101079184 570793932 /nfs/dbraw/zinc/79/39/32/570793932.db2.gz VCBXENGGWGLZRS-GFCCVEGCSA-N -1 1 390.892 3.846 50 0 GHAAMM CC(C)c1cc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c2cnn(C(C)C)c2n1 ZINC000036744280 570805998 /nfs/dbraw/zinc/80/59/98/570805998.db2.gz SQDXKQQALXDXRV-UHFFFAOYSA-N -1 1 381.362 3.525 50 0 GHAAMM CCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)c2ccc(-c3ccccc3)cc2)n1 ZINC000007419651 570838839 /nfs/dbraw/zinc/83/88/39/570838839.db2.gz QPZMJIYSFXPVDH-UHFFFAOYSA-N -1 1 399.454 3.746 50 0 GHAAMM C[C@@H](C(=O)Nn1c(=O)c2ccccc2[n-]c1=S)c1c(Cl)cccc1Cl ZINC000102229075 570844161 /nfs/dbraw/zinc/84/41/61/570844161.db2.gz CAQNTPAOBOOTFR-SECBINFHSA-N -1 1 394.283 3.866 50 0 GHAAMM CN(Cc1cccc(F)c1)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000012604989 570888316 /nfs/dbraw/zinc/88/83/16/570888316.db2.gz DTSMXTHJTHAIOJ-UHFFFAOYSA-N -1 1 398.459 3.899 50 0 GHAAMM Cc1ccc(NC(=O)Cc2cc(=O)[n-]c(SCc3ccc(F)cc3)n2)cc1C ZINC000016851352 570915317 /nfs/dbraw/zinc/91/53/17/570915317.db2.gz NMDNYVFWUMJHKB-UHFFFAOYSA-N -1 1 397.475 3.999 50 0 GHAAMM C[C@H](NC(=O)Cc1cc(=O)[n-]c(SCc2ccccc2)n1)c1ccccc1 ZINC000023138004 570915624 /nfs/dbraw/zinc/91/56/24/570915624.db2.gz QGXGRWOWYPLRHB-HNNXBMFYSA-N -1 1 379.485 3.894 50 0 GHAAMM Cc1cc([O-])c2c(C)c(CC(=O)NCCc3ccc(Cl)cc3)c(=O)oc2c1 ZINC000004742708 570956884 /nfs/dbraw/zinc/95/68/84/570956884.db2.gz MRPXLMOKLQFQHC-UHFFFAOYSA-N -1 1 385.847 3.670 50 0 GHAAMM COc1ccc(CCCN(C)c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)cc1 ZINC000170642780 570963957 /nfs/dbraw/zinc/96/39/57/570963957.db2.gz VGQNGGYQIICALJ-UHFFFAOYSA-N -1 1 378.476 3.526 50 0 GHAAMM COc1cccc(-c2nc(CSc3nc4c(c(=O)[n-]3)CCC4)c(C)o2)c1OC ZINC000045924718 571001876 /nfs/dbraw/zinc/00/18/76/571001876.db2.gz QGVDZUWWYMUSQR-UHFFFAOYSA-N -1 1 399.472 3.532 50 0 GHAAMM COc1ccc(Oc2ncccc2NS(=O)(=O)c2cc(C)ccc2[O-])cc1 ZINC000084147577 571003215 /nfs/dbraw/zinc/00/32/15/571003215.db2.gz DJHNVOXGWWRSOD-UHFFFAOYSA-N -1 1 386.429 3.697 50 0 GHAAMM COc1cccc(-c2cccc(NC(=O)[C@H]3CCCCN3CCC(=O)[O-])c2)c1 ZINC000095515450 571083403 /nfs/dbraw/zinc/08/34/03/571083403.db2.gz HCUPKHHXYBHELT-HXUWFJFHSA-N -1 1 382.460 3.630 50 0 GHAAMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc4oc(C)c(C)c4c3)ccc21 ZINC000187056501 837530110 /nfs/dbraw/zinc/53/01/10/837530110.db2.gz TUJKNJWNJFRIRR-UHFFFAOYSA-N -1 1 384.457 3.759 50 0 GHAAMM CSc1nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2s1 ZINC000002643404 861459484 /nfs/dbraw/zinc/45/94/84/861459484.db2.gz AFXACOWZTDHDGP-UHFFFAOYSA-N -1 1 394.499 3.590 50 0 GHAAMM CC(C)(C)c1ccc(C(=O)[N-]C(=O)CSc2nncn2-c2ccccc2)cc1 ZINC000003428912 862401783 /nfs/dbraw/zinc/40/17/83/862401783.db2.gz RNYGTNIIICTTLE-UHFFFAOYSA-N -1 1 394.500 3.614 50 0 GHAAMM CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cc(Cl)ccc3[O-])n2)CC1 ZINC000095629687 856471892 /nfs/dbraw/zinc/47/18/92/856471892.db2.gz GJBKSHZYWGUBDT-UHFFFAOYSA-N -1 1 390.871 3.560 50 0 GHAAMM CC(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2C1 ZINC000008976873 856683159 /nfs/dbraw/zinc/68/31/59/856683159.db2.gz BEDSTTFKUKLCTP-UHFFFAOYSA-N -1 1 380.469 3.545 50 0 GHAAMM CC1CCN(C(=O)COc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c2)CC1 ZINC000009305559 857094437 /nfs/dbraw/zinc/09/44/37/857094437.db2.gz USJDCYDHWXMWRA-UHFFFAOYSA-N -1 1 393.439 3.803 50 0 biogenic GHAAMM CC1CCN(C(=O)COc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c2)CC1 ZINC000009305559 857094445 /nfs/dbraw/zinc/09/44/45/857094445.db2.gz USJDCYDHWXMWRA-UHFFFAOYSA-N -1 1 393.439 3.803 50 0 biogenic GHAAMM Cc1ccc(NC(=O)c2c([O-])n3c4c(cccc4c2=O)CC3)c(Br)c1 ZINC000002129540 884399603 /nfs/dbraw/zinc/39/96/03/884399603.db2.gz VXQCKJKWHMGFKV-UHFFFAOYSA-N -1 1 399.244 3.586 50 0 GHAAMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)NCc1ccc(OC(F)F)cc1 ZINC000011514943 206294790 /nfs/dbraw/zinc/29/47/90/206294790.db2.gz YCWUFQNSFXODOY-UHFFFAOYSA-N -1 1 396.444 3.587 50 0 GHAAMM CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4cccnc4n3)cc2)cc1 ZINC000000629867 206309759 /nfs/dbraw/zinc/30/97/59/206309759.db2.gz ZZWIWUNAZMMJJT-UHFFFAOYSA-N -1 1 378.457 3.760 50 0 GHAAMM O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccccc2SC(F)F)cc1 ZINC000034872016 206312226 /nfs/dbraw/zinc/31/22/26/206312226.db2.gz VUFDQSVSOFZLMD-UHFFFAOYSA-N -1 1 387.429 3.819 50 0 GHAAMM O=C1c2ccc(Br)cc2C(=O)N1c1cc(Br)ccc1[O-] ZINC000000827835 206325173 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Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CCC(C)CC2)c1 ZINC000024837872 207296476 /nfs/dbraw/zinc/29/64/76/207296476.db2.gz CIRFBJJUBGWYBK-UHFFFAOYSA-N -1 1 386.517 3.976 50 0 GHAAMM O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)c1ccc([O-])cc1O ZINC000028853944 207349407 /nfs/dbraw/zinc/34/94/07/207349407.db2.gz RFFVMSBABFYVPV-UHFFFAOYSA-N -1 1 381.457 3.590 50 0 GHAAMM CCCCOc1ccccc1[C@H]1CC(=O)Nc2nc(SCCC)[n-]c(=O)c21 ZINC000086057881 208102183 /nfs/dbraw/zinc/10/21/83/208102183.db2.gz NRQKUNYQHHRTPO-CQSZACIVSA-N -1 1 387.505 3.925 50 0 GHAAMM Cc1ccc(-c2ncc(C(=O)N3CC[C@H](c4ccccc4F)C3)c(=O)[n-]2)cc1 ZINC000091908170 208141934 /nfs/dbraw/zinc/14/19/34/208141934.db2.gz QLYIGPGKZHWRRS-INIZCTEOSA-N -1 1 377.419 3.514 50 0 GHAAMM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2cc(C)ccc2F)c1-c1nc(C2CC2)no1 ZINC000096379863 208311868 /nfs/dbraw/zinc/31/18/68/208311868.db2.gz DUNJIVNQVDXKPU-UHFFFAOYSA-N -1 1 390.440 3.807 50 0 GHAAMM CCc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2cccc(Cl)c2F)n1 ZINC000096379814 208313041 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Cc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1C[N-]C(=O)C(F)(F)F ZINC000005246353 570526912 /nfs/dbraw/zinc/52/69/12/570526912.db2.gz ODEZBWXUGZUILR-UHFFFAOYSA-N -1 1 399.376 3.740 50 0 GHAAMM CCCSc1nc2c(c(=O)[n-]1)[C@H](c1sccc1C)C(C(=O)OC)=C(C)N2 ZINC000008346009 570528623 /nfs/dbraw/zinc/52/86/23/570528623.db2.gz USNYWVPTJJAUDE-GFCCVEGCSA-N -1 1 391.518 3.646 50 0 GHAAMM CCCNC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)ccc21 ZINC000064861564 570570137 /nfs/dbraw/zinc/57/01/37/570570137.db2.gz GAJURTNMCLBUAQ-UHFFFAOYSA-N -1 1 393.896 3.623 50 0 GHAAMM CC(=O)N1CCCSc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc21 ZINC000064952036 570610199 /nfs/dbraw/zinc/61/01/99/570610199.db2.gz XUMNTVXWZAGONA-UHFFFAOYSA-N -1 1 376.503 3.645 50 0 GHAAMM CC(=O)N1CCOc2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)c(C)cc21 ZINC000006893102 570691174 /nfs/dbraw/zinc/69/11/74/570691174.db2.gz PTVKVMGBQWWEJE-UHFFFAOYSA-N -1 1 394.880 3.503 50 0 GHAAMM COc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)ccc1NC(C)=O ZINC000013041436 570743708 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Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3ccco3)cc2)c1C ZINC000008180777 856037043 /nfs/dbraw/zinc/03/70/43/856037043.db2.gz SDVTWHKRFANSQH-UHFFFAOYSA-N -1 1 384.457 3.627 50 0 GHAAMM Cc1ccc(C(=O)Nc2c(=O)[n-]c(-c3ccccc3)nc2N2CCCCC2)cc1 ZINC000041154970 857181015 /nfs/dbraw/zinc/18/10/15/857181015.db2.gz NBAXWNDSHSSOFP-UHFFFAOYSA-N -1 1 388.471 3.988 50 0 GHAAMM O=C(NCc1ccccc1)C1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000009980595 857389040 /nfs/dbraw/zinc/38/90/40/857389040.db2.gz JZDKTLPUZPDKPQ-UHFFFAOYSA-N -1 1 388.467 3.714 50 0 GHAAMM CSc1ccccc1[N-]S(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)[C@H]2C ZINC000004270455 862920793 /nfs/dbraw/zinc/92/07/93/862920793.db2.gz RQUZWDNVFCXNQW-LBPRGKRZSA-N -1 1 388.514 3.606 50 0 GHAAMM O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc([O-])c(Cl)c1)c1ccco1 ZINC000111666846 231021525 /nfs/dbraw/zinc/02/15/25/231021525.db2.gz ISSAJJSLRSNNMB-MRXNPFEDSA-N -1 1 384.819 3.618 50 0 GHAAMM CO[C@@H]1CCCN(C(=O)c2cccc(-c3ccc(-c4cc(=O)[nH][n-]4)cc3)c2)C1 ZINC000426723828 231255950 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CCCOc1ccc(-c2cccc([N-]S(=O)(=O)c3ccc(F)cc3)c2)nn1 ZINC000017286385 207087961 /nfs/dbraw/zinc/08/79/61/207087961.db2.gz QMNCPLUDUHKPDY-UHFFFAOYSA-N -1 1 387.436 3.872 50 0 GHAAMM COc1ccc([N-]S(=O)(=O)c2cc(-c3cnc(C)o3)ccc2C)cc1OC ZINC000021032378 207225198 /nfs/dbraw/zinc/22/51/98/207225198.db2.gz JZLKWCLXVAEIJT-UHFFFAOYSA-N -1 1 388.445 3.776 50 0 GHAAMM O=C(c1cnc(-c2cccs2)[n-]c1=O)N1CCC(c2cccc(O)c2)CC1 ZINC000091818387 208138964 /nfs/dbraw/zinc/13/89/64/208138964.db2.gz GRNLMCUIWHBTMP-UHFFFAOYSA-N -1 1 381.457 3.636 50 0 GHAAMM CC(C)c1c([N-]S(=O)(=O)C[C@@H]2CCCCO2)cnn1-c1ccccc1Cl ZINC000242106264 209021032 /nfs/dbraw/zinc/02/10/32/209021032.db2.gz WIGNOYXMSLPYRC-AWEZNQCLSA-N -1 1 397.928 3.960 50 0 GHAAMM C[C@H](c1cccs1)N(C)Cc1cc(-c2ncccn2)ccc1OCC(=O)[O-] ZINC000299772038 209087128 /nfs/dbraw/zinc/08/71/28/209087128.db2.gz YBXOSTHZHFZQSI-CQSZACIVSA-N -1 1 383.473 3.862 50 0 GHAAMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)C1CC1)CCC2 ZINC000005252370 136194636 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/nfs/dbraw/zinc/53/75/67/570537567.db2.gz CZVPPZSSXBICOQ-UHFFFAOYSA-N -1 1 376.217 3.501 50 0 GHAAMM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)N(C(C)=O)C[C@H](C)S2 ZINC000006779438 570585810 /nfs/dbraw/zinc/58/58/10/570585810.db2.gz QVIAZNQFDYHWQO-ZDUSSCGKSA-N -1 1 390.530 3.897 50 0 GHAAMM O=c1cc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)c2ccc([O-])cc2o1 ZINC000006933310 570711093 /nfs/dbraw/zinc/71/10/93/570711093.db2.gz AMPXGCZSEPCBKG-UHFFFAOYSA-N -1 1 396.380 3.570 50 0 GHAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(SC)c2)cc1Br ZINC000001135274 570712271 /nfs/dbraw/zinc/71/22/71/570712271.db2.gz LKEDDAWXMPVJGT-UHFFFAOYSA-N -1 1 388.308 3.980 50 0 GHAAMM O=C1COc2ccc(S(=O)(=O)[N-]c3ccccc3-c3cccs3)cc2N1 ZINC000012525835 570830436 /nfs/dbraw/zinc/83/04/36/570830436.db2.gz YDMXYMHPNAFITQ-UHFFFAOYSA-N -1 1 386.454 3.547 50 0 GHAAMM Cc1ccnc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2C)c1 ZINC000012536649 570836410 /nfs/dbraw/zinc/83/64/10/570836410.db2.gz SXFAAJSJIFQGBO-UHFFFAOYSA-N -1 1 399.447 3.891 50 0 GHAAMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(NC(=O)NC2CC2)cc1 ZINC000065607757 570839808 /nfs/dbraw/zinc/83/98/08/570839808.db2.gz ZTTHVUJUSDMFCN-UHFFFAOYSA-N -1 1 379.869 3.733 50 0 GHAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCCC3)c2)cc1C ZINC000012548539 570850884 /nfs/dbraw/zinc/85/08/84/570850884.db2.gz GMCIHMIYKGKOAA-UHFFFAOYSA-N -1 1 392.908 3.994 50 0 GHAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC[C@@H]3C)c2)cc1F ZINC000012604694 570888194 /nfs/dbraw/zinc/88/81/94/570888194.db2.gz WGGGRVRALWOGCI-HNNXBMFYSA-N -1 1 390.480 3.950 50 0 GHAAMM O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1ccccc1[O-] ZINC000010499850 570894371 /nfs/dbraw/zinc/89/43/71/570894371.db2.gz QLLZKBSCHQGUGO-UHFFFAOYSA-N -1 1 381.457 3.605 50 0 GHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000012761487 571012152 /nfs/dbraw/zinc/01/21/52/571012152.db2.gz NVADGOYYDUGNFE-UHFFFAOYSA-N -1 1 390.480 3.807 50 0 GHAAMM COc1ccc(-c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)nn1 ZINC000005204188 835110152 /nfs/dbraw/zinc/11/01/52/835110152.db2.gz ANRXTFVAFSZMFO-UHFFFAOYSA-N -1 1 375.837 3.606 50 0 GHAAMM O=C([O-])c1cc(NS(=O)(=O)c2ccc(F)cc2Cl)cc(C(F)(F)F)c1 ZINC000057769628 862238529 /nfs/dbraw/zinc/23/85/29/862238529.db2.gz SAQMDILTNKLBIM-UHFFFAOYSA-N -1 1 397.733 3.997 50 0 GHAAMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)nc2n3CCCCC2)c1 ZINC000008131770 855998038 /nfs/dbraw/zinc/99/80/38/855998038.db2.gz XPEUCAPETLMMFA-UHFFFAOYSA-N -1 1 383.473 3.766 50 0 GHAAMM C[C@H]1CCCN(C(=O)COc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c2)C1 ZINC000008991284 856693627 /nfs/dbraw/zinc/69/36/27/856693627.db2.gz RMPBBQKCOAKBEE-HNNXBMFYSA-N -1 1 393.439 3.803 50 0 biogenic GHAAMM C[C@H]1CCCN(C(=O)COc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c2)C1 ZINC000008991284 856693642 /nfs/dbraw/zinc/69/36/42/856693642.db2.gz RMPBBQKCOAKBEE-HNNXBMFYSA-N -1 1 393.439 3.803 50 0 biogenic GHAAMM Cc1ccccc1OCCSc1nc(-c2ccc(F)cc2)nc2cc(=O)[n-]n21 ZINC000009641118 857272862 /nfs/dbraw/zinc/27/28/62/857272862.db2.gz NBPRYUODLAOURZ-UHFFFAOYSA-N -1 1 396.447 3.703 50 0 GHAAMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)c1 ZINC000009676740 857299394 /nfs/dbraw/zinc/29/93/94/857299394.db2.gz MQGNKEMHTKQRMK-UHFFFAOYSA-N -1 1 384.501 3.793 50 0 GHAAMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(I)cc1 ZINC000000682377 206316471 /nfs/dbraw/zinc/31/64/71/206316471.db2.gz WKQFOHZEBKKDAR-UHFFFAOYSA-N -1 1 387.242 3.709 50 0 GHAAMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)ccc21 ZINC000015243189 207049889 /nfs/dbraw/zinc/04/98/89/207049889.db2.gz ZQIFNUOAGFMBLT-UHFFFAOYSA-N -1 1 378.881 3.748 50 0 GHAAMM O=C(c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl)N1CCCC1 ZINC000017356425 207090250 /nfs/dbraw/zinc/09/02/50/207090250.db2.gz BZSSVXQTSXSORZ-UHFFFAOYSA-N -1 1 382.844 3.516 50 0 GHAAMM O=C([O-])[C@@H](c1c[nH]c2ccc(Cl)cc21)N1CCN(Cc2ccccc2)CC1 ZINC000020677494 207211137 /nfs/dbraw/zinc/21/11/37/207211137.db2.gz SVPRMEZERUZPMJ-HXUWFJFHSA-N -1 1 383.879 3.765 50 0 GHAAMM COc1cccc(N2CCN([C@H](C(=O)[O-])c3c[nH]c4ccc(Cl)cc43)CC2)c1 ZINC000020744749 207213032 /nfs/dbraw/zinc/21/30/32/207213032.db2.gz YMKKILDBXPSDDQ-FQEVSTJZSA-N -1 1 399.878 3.778 50 0 GHAAMM O=S(=O)([N-]c1ccc2oc(C3CC3)nc2c1)c1ccc2c(c1)OCCCO2 ZINC000032097271 207392179 /nfs/dbraw/zinc/39/21/79/207392179.db2.gz GQXQVWZIEYUSLA-UHFFFAOYSA-N -1 1 386.429 3.667 50 0 GHAAMM Cc1ccc(Nc2nc(-c3cnc(N4CCCCC4)nc3C)cc(=O)[n-]2)c(C)c1 ZINC000039383639 132391029 /nfs/dbraw/zinc/39/10/29/132391029.db2.gz KWERIKDSIUEHTB-UHFFFAOYSA-N -1 1 390.491 3.886 50 0 GHAAMM COc1cc(OC)c(NC(=O)CC([O-])(C(F)(F)F)C(F)(F)F)cc1Cl ZINC000004568438 570384965 /nfs/dbraw/zinc/38/49/65/570384965.db2.gz FSAJWBFZGLROBE-UHFFFAOYSA-N -1 1 395.683 3.542 50 0 GHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4ccccc4n3)cc2)cc1 ZINC000006133836 570467134 /nfs/dbraw/zinc/46/71/34/570467134.db2.gz ZCMZTMHESMSGOO-UHFFFAOYSA-N -1 1 379.441 3.811 50 0 GHAAMM COc1ccc(-c2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3C)cc2)nn1 ZINC000005204220 570506133 /nfs/dbraw/zinc/50/61/33/570506133.db2.gz SXLNEBOJVPAVMR-UHFFFAOYSA-N -1 1 383.473 3.878 50 0 GHAAMM Cc1noc(C)c1-c1ccc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000064837557 570559220 /nfs/dbraw/zinc/55/92/20/570559220.db2.gz VIXSUTVOEOFOBA-UHFFFAOYSA-N -1 1 386.429 3.796 50 0 GHAAMM Cc1cc([O-])c2c(C)c(CC(=O)NCc3c(F)cccc3Cl)c(=O)oc2c1 ZINC000005348666 570562444 /nfs/dbraw/zinc/56/24/44/570562444.db2.gz BJYVZVPMGLMGOM-UHFFFAOYSA-N -1 1 389.810 3.767 50 0 GHAAMM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCS2 ZINC000006779034 570585762 /nfs/dbraw/zinc/58/57/62/570585762.db2.gz YWKIZJHGWVQWBX-UHFFFAOYSA-N -1 1 376.503 3.508 50 0 GHAAMM CC1(C)CC(=O)C(=C([O-])CN(Cc2ccccc2)Cc2ccccc2)C(=O)C1 ZINC000136527022 570612323 /nfs/dbraw/zinc/61/23/23/570612323.db2.gz DAVZYWKMZMGVQR-UHFFFAOYSA-N -1 1 377.484 3.832 50 0 GHAAMM CCc1nnc(-c2c(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c(C)n2C)o1 ZINC000065186512 570724920 /nfs/dbraw/zinc/72/49/20/570724920.db2.gz CTEWLJKUJDXVQY-UHFFFAOYSA-N -1 1 388.493 3.672 50 0 GHAAMM COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000007005224 570736053 /nfs/dbraw/zinc/73/60/53/570736053.db2.gz MFYLDKSERACYTN-UHFFFAOYSA-N -1 1 376.409 3.907 50 0 GHAAMM Cc1ccccc1CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000007109186 570791129 /nfs/dbraw/zinc/79/11/29/570791129.db2.gz MDUCTDYAJKROME-UHFFFAOYSA-N -1 1 380.469 3.726 50 0 GHAAMM CCOc1ccc(CCC2CCN(C(=O)c3ccc4[nH]nnc4c3)CC2)cc1 ZINC000010995183 570793461 /nfs/dbraw/zinc/79/34/61/570793461.db2.gz OEUQACFBAGBBJK-UHFFFAOYSA-N -1 1 378.476 3.842 50 0 GHAAMM Cc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)o1 ZINC000012556978 570859232 /nfs/dbraw/zinc/85/92/32/570859232.db2.gz RLBLCQMKXXGETE-UHFFFAOYSA-N -1 1 398.484 3.969 50 0 GHAAMM CC(C)c1ccccc1NC(=O)N1CCc2c(nc(-c3cccnc3)[n-]c2=O)C1 ZINC000072121727 570867233 /nfs/dbraw/zinc/86/72/33/570867233.db2.gz HORLYJJKANKFNZ-UHFFFAOYSA-N -1 1 389.459 3.546 50 0 GHAAMM CCn1c2ccc([N-]S(=O)(=O)c3ccc(C)c(Cl)c3)cc2sc1=O ZINC000046017678 571011556 /nfs/dbraw/zinc/01/15/56/571011556.db2.gz QUZPFOJBSBGCKB-UHFFFAOYSA-N -1 1 382.894 3.846 50 0 GHAAMM CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc([O-])c(Cl)c1 ZINC000079188700 835784233 /nfs/dbraw/zinc/78/42/33/835784233.db2.gz KIKZSKMYILLQKQ-MAUKXSAKSA-N -1 1 386.787 3.608 50 0 biogenic GHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4ccc(C)nc4n3)cc2)cc1 ZINC000009572145 857236162 /nfs/dbraw/zinc/23/61/62/857236162.db2.gz XTDUVXCXCGMXJC-UHFFFAOYSA-N -1 1 394.456 3.514 50 0 GHAAMM COc1cccc(Cn2c(C)c(CNCc3ccccn3)c(C(=O)[O-])c2C)c1 ZINC000009747302 857339180 /nfs/dbraw/zinc/33/91/80/857339180.db2.gz GUDVKBXEHVDGLY-UHFFFAOYSA-N -1 1 379.460 3.545 50 0 GHAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)c3ccccc3)cc2)cc1 ZINC000000647150 206312447 /nfs/dbraw/zinc/31/24/47/206312447.db2.gz PEHXUDGXKLFCSA-UHFFFAOYSA-N -1 1 394.452 3.677 50 0 GHAAMM CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)[N-]C(=O)c3ccccc3)cc21 ZINC000001470963 206383260 /nfs/dbraw/zinc/38/32/60/206383260.db2.gz KPIOIUZEASNNFI-UHFFFAOYSA-N -1 1 380.400 3.592 50 0 GHAAMM CC[C@H]1Sc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2NC1=O ZINC000006867701 206687108 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CCCn1c2ccc(S(=O)(=O)[N-]c3ccccc3CC)cc2sc1=O ZINC000064947116 207821000 /nfs/dbraw/zinc/82/10/00/207821000.db2.gz RQNIKVHLWKMDNG-UHFFFAOYSA-N -1 1 376.503 3.836 50 0 GHAAMM CC(C)(C)c1ncc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c(=O)[n-]1 ZINC000082126320 208082417 /nfs/dbraw/zinc/08/24/17/208082417.db2.gz IOVZMQJZSGCKPF-CQSZACIVSA-N -1 1 382.489 3.654 50 0 GHAAMM CCCC[C@H](c1cccnc1)N(C)C(=O)c1cnc(-c2ccccn2)[n-]c1=O ZINC000091563218 208122145 /nfs/dbraw/zinc/12/21/45/208122145.db2.gz AAGXSMAVEDYKTC-GOSISDBHSA-N -1 1 377.448 3.643 50 0 GHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1Br ZINC000002858619 208713299 /nfs/dbraw/zinc/71/32/99/208713299.db2.gz PIWJWYIBRFIIIL-UHFFFAOYSA-N -1 1 378.194 3.537 50 0 GHAAMM O=C1CCCCN1c1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000012002425 136200010 /nfs/dbraw/zinc/20/00/10/136200010.db2.gz JYFRBPPYRZJZQQ-UHFFFAOYSA-N -1 1 382.844 3.797 50 0 GHAAMM Nc1cccc(C(=O)Nc2cc(=O)n(-c3c(Cl)cc(Cl)cc3Cl)[n-]2)c1 ZINC000100268862 527514908 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O=c1[n-]c(CNc2ccc(Cl)cc2)nn1Cc1ccc(Br)cc1 ZINC000044900966 570981346 /nfs/dbraw/zinc/98/13/46/570981346.db2.gz BBZWRAHSZUGCGX-UHFFFAOYSA-N -1 1 393.672 3.648 50 0 GHAAMM O=S(=O)([N-]CCc1csc(-c2cccc(F)c2)n1)c1cc(F)ccc1F ZINC000005137709 843580477 /nfs/dbraw/zinc/58/04/77/843580477.db2.gz ACOBWVGJXYJERE-UHFFFAOYSA-N -1 1 398.431 3.748 50 0 GHAAMM CCc1cccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NC[C@@H]2CCCO2)c1 ZINC000067298459 856247232 /nfs/dbraw/zinc/24/72/32/856247232.db2.gz CXGURCWEPVHICD-VWOFGYOZSA-N -1 1 392.455 3.842 50 0 GHAAMM O=C([O-])c1ccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2cccc(F)c2F)cc1 ZINC000040288111 856725902 /nfs/dbraw/zinc/72/59/02/856725902.db2.gz CVASUAOHIAUWID-GOSISDBHSA-N -1 1 398.369 3.566 50 0 GHAAMM Cc1cccc(OCCSc2nc(-c3ccc(F)cc3)nc3cc(=O)[n-]n32)c1 ZINC000009641103 857272566 /nfs/dbraw/zinc/27/25/66/857272566.db2.gz KUMXRKGFZHKCRI-UHFFFAOYSA-N -1 1 396.447 3.703 50 0 GHAAMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1)c1ccco1 ZINC000000802352 206322541 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50 0 GHAAMM CC1=Nc2c(c(=O)[n-]n2C2CCOCC2)[C@@H](c2cccc3nccnc32)S1 ZINC000095473145 208191130 /nfs/dbraw/zinc/19/11/30/208191130.db2.gz XCMSHEXMGMBECB-QGZVFWFLSA-N -1 1 381.461 3.770 50 0 GHAAMM Cc1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)cc1Cl ZINC000005154208 136194584 /nfs/dbraw/zinc/19/45/84/136194584.db2.gz ARUYCCUOOWANOB-UHFFFAOYSA-N -1 1 390.892 3.675 50 0 GHAAMM CCc1nc2sc(C(C)C)nn2c1S(=O)(=O)[N-]c1ccccc1Cl ZINC000065184023 222107770 /nfs/dbraw/zinc/10/77/70/222107770.db2.gz ANLHJCWXJFYICK-UHFFFAOYSA-N -1 1 384.914 3.931 50 0 GHAAMM CCN(Cc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2C)c1)C(C)=O ZINC000048353792 570241134 /nfs/dbraw/zinc/24/11/34/570241134.db2.gz HLCVRNTZVNHXSU-UHFFFAOYSA-N -1 1 380.897 3.818 50 0 GHAAMM C[C@@H]1c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc3c2N(CCC3)C1=O ZINC000004850643 570348321 /nfs/dbraw/zinc/34/83/21/570348321.db2.gz FGVOXDMEJNQVNU-LLVKDONJSA-N -1 1 376.865 3.537 50 0 GHAAMM COc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CC4)n3)sc2C)cc1 ZINC000035539367 570391572 /nfs/dbraw/zinc/39/15/72/570391572.db2.gz PECMPUCZPLIYLA-UHFFFAOYSA-N -1 1 391.474 3.793 50 0 GHAAMM CCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)ccc21 ZINC000038706908 570433689 /nfs/dbraw/zinc/43/36/89/570433689.db2.gz IAVUODDLAHJREP-UHFFFAOYSA-N -1 1 398.406 3.805 50 0 GHAAMM C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@H](OC(=O)CCC(=O)[O-])c1ccnc2ccccc21 ZINC000005382867 570500059 /nfs/dbraw/zinc/50/00/59/570500059.db2.gz PONBXSSHHMVDIH-LEIHUNCNSA-N -1 1 394.471 3.580 50 0 GHAAMM CCCCN(CC)c1ncc(C(=O)[O-])cc1NS(=O)(=O)c1cccc(C)c1 ZINC000064843971 570564790 /nfs/dbraw/zinc/56/47/90/570564790.db2.gz XMFYPUFNWRNNNT-UHFFFAOYSA-N -1 1 391.493 3.515 50 0 GHAAMM CCOc1cccc2c1Oc1nc(-c3cccc(OC)c3OC)[n-]c(=O)c1C2 ZINC000006748457 570566843 /nfs/dbraw/zinc/56/68/43/570566843.db2.gz KNLGDMIPQFDFTB-UHFFFAOYSA-N -1 1 380.400 3.962 50 0 GHAAMM Cc1nc(-c2cccc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)c2)no1 ZINC000064980340 570624759 /nfs/dbraw/zinc/62/47/59/570624759.db2.gz HIJQSDWVKXBNNL-UHFFFAOYSA-N -1 1 399.350 3.744 50 0 GHAAMM CC[C@@H]1Sc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2NC1=O ZINC000006867656 570657374 /nfs/dbraw/zinc/65/73/74/570657374.db2.gz LDNGEOBHEPUYDG-AWEZNQCLSA-N -1 1 382.894 3.964 50 0 GHAAMM CSc1nc(C)c(CCC(=O)N[C@@H](CC(C)C)c2cccs2)c(=O)[n-]1 ZINC000058213390 570720507 /nfs/dbraw/zinc/72/05/07/570720507.db2.gz YRINWPLZPFBUJY-AWEZNQCLSA-N -1 1 379.551 3.698 50 0 GHAAMM O=c1cc(CSc2ccc(Cl)cc2)[nH]c2nn(-c3ccccc3)c([O-])c21 ZINC000013655809 570767278 /nfs/dbraw/zinc/76/72/78/570767278.db2.gz UDYYPRWBKNVMLH-UHFFFAOYSA-N -1 1 383.860 3.953 50 0 GHAAMM O=c1c2c([O-])cc(CSc3ccc(Cl)cc3)[nH]c-2nn1-c1ccccc1 ZINC000013655809 570767283 /nfs/dbraw/zinc/76/72/83/570767283.db2.gz UDYYPRWBKNVMLH-UHFFFAOYSA-N -1 1 383.860 3.953 50 0 GHAAMM COc1ccc([N-]S(=O)(=O)c2cccc(-c3noc(C)n3)c2)cc1Cl ZINC000033086361 570808514 /nfs/dbraw/zinc/80/85/14/570808514.db2.gz HPAYYACBFDEONQ-UHFFFAOYSA-N -1 1 379.825 3.508 50 0 GHAAMM C[C@@H](NC(=O)C(=C([O-])c1ccccc1)n1cc(Cl)ccc1=O)c1ccccc1 ZINC000004679501 570825941 /nfs/dbraw/zinc/82/59/41/570825941.db2.gz KOWUCHDHQCOKQA-FOIQADDNSA-N -1 1 394.858 3.803 50 0 GHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)cc1OC ZINC000007410110 570838468 /nfs/dbraw/zinc/83/84/68/570838468.db2.gz MTSIJRWDXLNLOY-UHFFFAOYSA-N -1 1 393.795 3.759 50 0 GHAAMM CCc1ccc(C(=O)COC(=O)c2cc(Br)c([O-])c(OC)c2)cc1 ZINC000003287945 570851638 /nfs/dbraw/zinc/85/16/38/570851638.db2.gz XVTVSWXXUIJIKZ-UHFFFAOYSA-N -1 1 393.233 3.765 50 0 GHAAMM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2-c2cc(F)c(F)c(F)c2)c[nH]1 ZINC000170650721 570985835 /nfs/dbraw/zinc/98/58/35/570985835.db2.gz DPUWZPQZEYFLJL-UHFFFAOYSA-N -1 1 396.346 3.598 50 0 GHAAMM Cc1cc2oc(-c3ccc4c(c3)OCO4)c(-c3c([O-])cc(C)oc3=O)c2c(=O)o1 ZINC000888090161 843696970 /nfs/dbraw/zinc/69/69/70/843696970.db2.gz FWQRUGFFBVBVGW-UHFFFAOYSA-N -1 1 394.335 3.724 50 0 GHAAMM O=C(COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)Nc1ccncc1 ZINC000009305051 857094486 /nfs/dbraw/zinc/09/44/86/857094486.db2.gz MTKOFLIGMWFAHM-UHFFFAOYSA-N -1 1 388.379 3.578 50 0 biogenic GHAAMM O=C(COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)Nc1ccncc1 ZINC000009305051 857094492 /nfs/dbraw/zinc/09/44/92/857094492.db2.gz MTKOFLIGMWFAHM-UHFFFAOYSA-N -1 1 388.379 3.578 50 0 biogenic GHAAMM CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccc(C)c1)C(C(=O)OC)=C(C)N2 ZINC000009569584 857233277 /nfs/dbraw/zinc/23/32/77/857233277.db2.gz XRGCUGFUMVDGCL-HNNXBMFYSA-N -1 1 385.489 3.585 50 0 GHAAMM Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)N[C@H](C)Cc1c[nH]c2ccccc12 ZINC000012896470 859652485 /nfs/dbraw/zinc/65/24/85/859652485.db2.gz ZULVJHHMIHWHAK-CYBMUJFWSA-N -1 1 390.439 3.578 50 0 biogenic GHAAMM O=C(Cn1cc(C=C2SC(=S)[N-]C2=O)c2ccccc21)NCc1ccco1 ZINC000001151727 206360948 /nfs/dbraw/zinc/36/09/48/206360948.db2.gz OHQYVZYJAJXYJA-LZYBPNLTSA-N -1 1 397.481 3.880 50 0 GHAAMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)NCCSCc2ccccc2)cc1 ZINC000014246176 207018013 /nfs/dbraw/zinc/01/80/13/207018013.db2.gz MKXGJOLXUCBUCY-UHFFFAOYSA-N -1 1 398.557 3.966 50 0 GHAAMM Cc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)n1 ZINC000014683667 207025986 /nfs/dbraw/zinc/02/59/86/207025986.db2.gz XCIIDLWICNGNPF-UHFFFAOYSA-N -1 1 399.447 3.891 50 0 GHAAMM COc1ccc([O-])c(C(=O)c2cnn(-c3nc(-c4ccccc4)cs3)c2)c1 ZINC000015232255 207049340 /nfs/dbraw/zinc/04/93/40/207049340.db2.gz YOFBSVJRJSPOHW-UHFFFAOYSA-N -1 1 377.425 3.941 50 0 GHAAMM Cc1ccccc1-c1noc(CSc2nc(-c3ccccn3)cc(=O)[n-]2)n1 ZINC000017136096 207086123 /nfs/dbraw/zinc/08/61/23/207086123.db2.gz ODPSWAJEURCVNR-UHFFFAOYSA-N -1 1 377.429 3.895 50 0 GHAAMM Cc1ccc(C(=O)NCc2ccccc2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000017356097 207089011 /nfs/dbraw/zinc/08/90/11/207089011.db2.gz WPTNNZLVHIBBIR-UHFFFAOYSA-N -1 1 398.459 3.865 50 0 GHAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccccc1)C(C(=O)OC)=C(C)N2 ZINC000017271178 207087989 /nfs/dbraw/zinc/08/79/89/207087989.db2.gz UEYNSYSKPDOLCH-HNNXBMFYSA-N -1 1 385.489 3.667 50 0 GHAAMM CCOc1ccc(-c2cccc([N-]S(=O)(=O)c3ccc(CC)cc3)c2)nn1 ZINC000021089742 207225473 /nfs/dbraw/zinc/22/54/73/207225473.db2.gz ZVMAXDGRKGRQNZ-UHFFFAOYSA-N -1 1 383.473 3.906 50 0 GHAAMM CN1c2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cc2C(C)(C)C1=O ZINC000021108879 207226363 /nfs/dbraw/zinc/22/63/63/207226363.db2.gz PFHQFAXXQLAPKJ-UHFFFAOYSA-N -1 1 382.844 3.534 50 0 GHAAMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nnnn3C3CC3)c2)cc1 ZINC000022314080 207252069 /nfs/dbraw/zinc/25/20/69/207252069.db2.gz UNIDNMDNTVKMTG-AWEZNQCLSA-N -1 1 397.504 3.989 50 0 GHAAMM Cc1sc(CC[N-]S(=O)(=O)c2cc(F)ccc2F)nc1-c1ccccc1 ZINC000079062580 208070582 /nfs/dbraw/zinc/07/05/82/208070582.db2.gz HMSZJZHXCOMJJE-UHFFFAOYSA-N -1 1 394.468 3.918 50 0 GHAAMM COc1ccc(-c2nc3c([nH]2)CN(C(=O)c2ccc([O-])c(Cl)c2)CC3)cc1 ZINC000096140106 208271409 /nfs/dbraw/zinc/27/14/09/208271409.db2.gz SWNDKSMNZCRYDS-UHFFFAOYSA-N -1 1 383.835 3.643 50 0 GHAAMM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccccc2F)c1-c1nnc(C2CCC2)o1 ZINC000096379693 208312069 /nfs/dbraw/zinc/31/20/69/208312069.db2.gz SSCWUZHIZYUGOW-UHFFFAOYSA-N -1 1 390.440 3.889 50 0 GHAAMM O=C1C[C@@H](c2ccco2)c2c(cc(=O)c3c([O-])c(-c4ccc(O)cc4)coc2-3)O1 ZINC000096115522 209010041 /nfs/dbraw/zinc/01/00/41/209010041.db2.gz HRRFAKFSTOZHRZ-ZDUSSCGKSA-N -1 1 390.347 3.905 50 0 biogenic GHAAMM CCc1ccc(Nc2nc(-c3cnc(N4CCCCC4)nc3C)cc(=O)[n-]2)cc1 ZINC000039383624 536190395 /nfs/dbraw/zinc/19/03/95/536190395.db2.gz XJOHVIOATYIVFR-UHFFFAOYSA-N -1 1 390.491 3.832 50 0 GHAAMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(OC(F)(F)Cl)cc3)cc2o1 ZINC000002503652 570226741 /nfs/dbraw/zinc/22/67/41/570226741.db2.gz SJRQJUBHOJLJQK-UHFFFAOYSA-N -1 1 390.751 3.502 50 0 GHAAMM CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(C)cc1)C(C(=O)OC)=C(C)N2 ZINC000004292253 570365738 /nfs/dbraw/zinc/36/57/38/570365738.db2.gz IYKGCVIUZUCDBZ-HNNXBMFYSA-N -1 1 385.489 3.585 50 0 GHAAMM O=C(C1CC1)N1CCCc2cc([N-]S(=O)(=O)c3cccc(Cl)c3)ccc21 ZINC000005099575 570416307 /nfs/dbraw/zinc/41/63/07/570416307.db2.gz SAMOFWCEDRBKHF-UHFFFAOYSA-N -1 1 390.892 3.830 50 0 GHAAMM CCOc1cccc2cc([C@@H](C)NC(=O)c3nc4ccccc4c(=O)[n-]3)oc21 ZINC000127748808 570489080 /nfs/dbraw/zinc/48/90/80/570489080.db2.gz HUXNZNFVJCDITF-GFCCVEGCSA-N -1 1 377.400 3.559 50 0 GHAAMM Cc1nc(SCC(=O)Nc2ccc(F)cc2)[n-]c(=O)c1Cc1ccccc1 ZINC000005054692 570499462 /nfs/dbraw/zinc/49/94/62/570499462.db2.gz SAMPBCYEZYAIHQ-UHFFFAOYSA-N -1 1 383.448 3.539 50 0 GHAAMM O=c1[n-]c(CNc2ccc(Br)cc2)nn1Cc1cccc(Cl)c1 ZINC000061718098 570501079 /nfs/dbraw/zinc/50/10/79/570501079.db2.gz HERFTCOCXZYFAJ-UHFFFAOYSA-N -1 1 393.672 3.648 50 0 GHAAMM O=c1[n-]c(CNc2ccc(Br)cc2)nn1C/C=C/c1ccccc1 ZINC000061718225 570501141 /nfs/dbraw/zinc/50/11/41/570501141.db2.gz AYFJCRQERGBCHV-QPJJXVBHSA-N -1 1 385.265 3.659 50 0 GHAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCC[C@H](C)C3)ccc2C)cc1 ZINC000010112577 570565390 /nfs/dbraw/zinc/56/53/90/570565390.db2.gz ZBUXQDGXSDLTBR-INIZCTEOSA-N -1 1 386.517 3.976 50 0 GHAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC[C@H](C)C3)c2C)cc1 ZINC000010112573 570565439 /nfs/dbraw/zinc/56/54/39/570565439.db2.gz ZVXWROOZTJKNSM-INIZCTEOSA-N -1 1 386.517 3.976 50 0 GHAAMM CC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2C)s1 ZINC000033007780 570620954 /nfs/dbraw/zinc/62/09/54/570620954.db2.gz YVHRSKHJLLCTCC-UHFFFAOYSA-N -1 1 389.502 3.981 50 0 GHAAMM CC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3ccc(C)cc3)cc2C)s1 ZINC000033007753 570621012 /nfs/dbraw/zinc/62/10/12/570621012.db2.gz VKJBZNJAXFRQRZ-UHFFFAOYSA-N -1 1 375.475 3.672 50 0 GHAAMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1OC ZINC000007050751 570770286 /nfs/dbraw/zinc/77/02/86/570770286.db2.gz SVTFTCLEPRLGOX-UHFFFAOYSA-N -1 1 375.368 3.832 50 0 GHAAMM CC(C)(C)c1ccc(OCCOc2ccc(/C=C3/NC(=S)[N-]C3=O)cc2)cc1 ZINC000004503477 570817117 /nfs/dbraw/zinc/81/71/17/570817117.db2.gz JMOHKAOMAGPRLG-XMHGGMMESA-N -1 1 396.512 3.787 50 0 GHAAMM Cc1nn(-c2ccccc2)c2[n-]cc(C(=O)Nc3ccc(F)c(F)c3)c(=O)c12 ZINC000007424055 570841204 /nfs/dbraw/zinc/84/12/04/570841204.db2.gz FNADWWJOXQKWCY-UHFFFAOYSA-N -1 1 380.354 3.553 50 0 GHAAMM O=C(Cc1n[n-]c(=S)n1Cc1ccccc1)Nc1ccc(OC(F)F)cc1 ZINC000032843865 570852268 /nfs/dbraw/zinc/85/22/68/570852268.db2.gz SNQRWIFUDOGEIN-UHFFFAOYSA-N -1 1 390.415 3.772 50 0 GHAAMM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000003370220 570863310 /nfs/dbraw/zinc/86/33/10/570863310.db2.gz IHZPGBOCLWSHIA-UHFFFAOYSA-N -1 1 392.221 3.927 50 0 GHAAMM O=C(Nc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)C1CC1 ZINC000012584288 570880479 /nfs/dbraw/zinc/88/04/79/570880479.db2.gz FZWZEQCXOMCQLP-UHFFFAOYSA-N -1 1 384.379 3.855 50 0 GHAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3ccco3)cc2)cc1C ZINC000012605521 570888708 /nfs/dbraw/zinc/88/87/08/570888708.db2.gz ZRUDRRBRHKCNPA-UHFFFAOYSA-N -1 1 384.457 3.627 50 0 GHAAMM O=C([O-])c1c[nH]c2cc(NS(=O)(=O)c3cccc(Cl)c3Cl)ccc12 ZINC000078806059 570933340 /nfs/dbraw/zinc/93/33/40/570933340.db2.gz MFBZRSQFCWUYTH-UHFFFAOYSA-N -1 1 385.228 3.974 50 0 GHAAMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2)nc1 ZINC000060658718 570957346 /nfs/dbraw/zinc/95/73/46/570957346.db2.gz IIJAOZZPDPCQMA-UHFFFAOYSA-N -1 1 399.447 3.891 50 0 GHAAMM CCCCc1nc2ccc(NS(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)cc2[nH]1 ZINC000170659390 571000587 /nfs/dbraw/zinc/00/05/87/571000587.db2.gz HJEGUCJXKJRNSO-UHFFFAOYSA-N -1 1 391.424 3.544 50 0 GHAAMM COc1cc(-c2oc3cc(C)oc(=O)c3c2-c2c([O-])cc(C)oc2=O)ccc1O ZINC000888090864 843713505 /nfs/dbraw/zinc/71/35/05/843713505.db2.gz XXMFUAQNGQKEHL-UHFFFAOYSA-N -1 1 396.351 3.710 50 0 GHAAMM CCc1ccc(NC(=O)c2cc(C(=O)c3cc(OC)ccc3[O-])coc2=N)cc1 ZINC000002646472 861462831 /nfs/dbraw/zinc/46/28/31/861462831.db2.gz NLLHUXKUWMBAQI-UHFFFAOYSA-N -1 1 392.411 3.519 50 0 GHAAMM Cc1ccc(C)c([C@@H]2CC(=O)Nc3nc(N4C[C@@H](C)C[C@H](C)C4)[n-]c(=O)c32)c1 ZINC000822355261 862676048 /nfs/dbraw/zinc/67/60/48/862676048.db2.gz UICXBNORXSZQGP-ZQIUZPCESA-N -1 1 380.492 3.755 50 0 GHAAMM COCc1nnc([N-]C(=O)c2sc(COc3cccc(C)c3)nc2C)s1 ZINC000038550751 856196555 /nfs/dbraw/zinc/19/65/55/856196555.db2.gz PZMDCNVDZMCOIZ-UHFFFAOYSA-N -1 1 390.490 3.589 50 0 GHAAMM O=C([O-])c1ccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000040286888 856724718 /nfs/dbraw/zinc/72/47/18/856724718.db2.gz NLPYDLSOCFAAEJ-SFHVURJKSA-N -1 1 396.834 3.941 50 0 GHAAMM O=C([O-])c1ccccc1CN1CCO[C@H](Cc2cccc(C(F)(F)F)c2)C1 ZINC000071748991 926386827 /nfs/dbraw/zinc/38/68/27/926386827.db2.gz FPFNLEHGEVYHNY-QGZVFWFLSA-N -1 1 379.378 3.847 50 0 GHAAMM COc1cc(Cl)c(C)cc1NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000028913865 206255472 /nfs/dbraw/zinc/25/54/72/206255472.db2.gz JOWBUNOXSWKYSC-VMPITWQZSA-N -1 1 381.837 3.556 50 0 GHAAMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC3)cc2)c1C ZINC000000631039 206309979 /nfs/dbraw/zinc/30/99/79/206309979.db2.gz HMSSFGSUDMDLEY-UHFFFAOYSA-N -1 1 386.517 3.957 50 0 GHAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Br)c2)cc1 ZINC000000670380 206314894 /nfs/dbraw/zinc/31/48/94/206314894.db2.gz CHMMDUCEROTSSJ-UHFFFAOYSA-N -1 1 383.267 3.517 50 0 GHAAMM Cc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NC[C@H]2CCCO2)cc1 ZINC000000876819 206330661 /nfs/dbraw/zinc/33/06/61/206330661.db2.gz SZEQWTJQFLPAGZ-FNWSHLARSA-N -1 1 378.428 3.588 50 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/nfs/dbraw/zinc/90/49/78/570904978.db2.gz QAWQVOQYIKLPFC-CQSZACIVSA-N -1 1 375.852 3.864 50 0 GHAAMM Cc1nn(-c2nc(C)cc(=O)[n-]2)c(C)c1CCC(=O)Nc1ccc(C(C)C)cc1 ZINC000016849588 570914609 /nfs/dbraw/zinc/91/46/09/570914609.db2.gz NTZZWZLCLDNWRD-UHFFFAOYSA-N -1 1 393.491 3.576 50 0 GHAAMM Cc1ccc([N-]S(=O)(=O)c2c[nH]c(-c3nnc(-c4ccc(F)cc4)o3)c2)cc1 ZINC000046914587 570936974 /nfs/dbraw/zinc/93/69/74/570936974.db2.gz SDVDGVQHFCAWKM-UHFFFAOYSA-N -1 1 398.419 3.980 50 0 GHAAMM Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)N[C@H](C)CCc1ccccc1 ZINC000004088936 862773385 /nfs/dbraw/zinc/77/33/85/862773385.db2.gz KDDVIRTWEQBILB-OAHLLOKOSA-N -1 1 379.456 3.877 50 0 biogenic GHAAMM C[C@H](Oc1ccccc1)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000040106656 856664331 /nfs/dbraw/zinc/66/43/31/856664331.db2.gz OOGXPSBYTPOLOX-INIZCTEOSA-N -1 1 396.468 3.893 50 0 GHAAMM C[C@H](Oc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cn1)c1ccccc1 ZINC000040153407 856684931 /nfs/dbraw/zinc/68/49/31/856684931.db2.gz GYFFEWFMVJCSAJ-JTQLQIEISA-N -1 1 377.326 3.611 50 0 GHAAMM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccccn1 ZINC000010193750 857417228 /nfs/dbraw/zinc/41/72/28/857417228.db2.gz WGRXWEARWKGEBA-AWEZNQCLSA-N -1 1 399.447 3.513 50 0 GHAAMM COc1ccc(/C=C\C(=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)ccc1C ZINC000096753081 915030019 /nfs/dbraw/zinc/03/00/19/915030019.db2.gz OCRWKSWDVBWNRO-YVMONPNESA-N -1 1 381.837 3.556 50 0 GHAAMM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)CS3)c1C ZINC000015730653 210166563 /nfs/dbraw/zinc/16/65/63/210166563.db2.gz JDTNBYZGBIRCBF-GFCCVEGCSA-N -1 1 376.503 3.785 50 0 GHAAMM C[C@H]1CC(=O)Nc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)ccc2S1 ZINC000015730314 210166236 /nfs/dbraw/zinc/16/62/36/210166236.db2.gz JXHMLJXGZFHZON-JTQLQIEISA-N -1 1 382.894 3.964 50 0 GHAAMM O=C(CSc1nc2ccccc2c(=O)n1C1CCCC1)c1ccc([O-])cc1O ZINC000008776734 209802127 /nfs/dbraw/zinc/80/21/27/209802127.db2.gz CLVHCURTHVPPBE-UHFFFAOYSA-N -1 1 396.468 3.898 50 0 GHAAMM CC1=C(C(=O)Nc2cccc(Cl)c2)[C@@H](c2ccc([O-])c(Cl)c2)NC(=O)N1 ZINC000004839570 209532617 /nfs/dbraw/zinc/53/26/17/209532617.db2.gz GXOGHQDXQFXZKJ-MRXNPFEDSA-N -1 1 392.242 3.966 50 0 GHAAMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccco3)ccc2C)c1C ZINC000002884623 209395280 /nfs/dbraw/zinc/39/52/80/209395280.db2.gz CIBBURKOARBPIG-UHFFFAOYSA-N -1 1 398.484 3.936 50 0 GHAAMM CC(C)COc1ccc(CC2C(=O)N(c3ccccc3)C(=S)N=C2[O-])cc1 ZINC000100645034 211389070 /nfs/dbraw/zinc/38/90/70/211389070.db2.gz RAISJJRJPWZUEU-UHFFFAOYSA-N -1 1 382.485 3.852 50 0 GHAAMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H]2c2ccc(Cl)cc2)o1 ZINC000095961552 211289771 /nfs/dbraw/zinc/28/97/71/211289771.db2.gz LKMQGHFCMLKZLB-AWEZNQCLSA-N -1 1 396.896 3.597 50 0 GHAAMM CC(C)(C)c1ncc(C(=O)N(CCc2ccccc2)Cc2ccco2)c(=O)[n-]1 ZINC000091914888 211209664 /nfs/dbraw/zinc/20/96/64/211209664.db2.gz QDIBTPPIULYZET-UHFFFAOYSA-N -1 1 379.460 3.546 50 0 GHAAMM O=C(c1cc(Cl)ccc1[O-])N1CCC2(CCC(=O)N(C3CCCC3)C2)CC1 ZINC000091808748 211207606 /nfs/dbraw/zinc/20/76/06/211207606.db2.gz UWWQGLRSVGJGDH-UHFFFAOYSA-N -1 1 390.911 3.833 50 0 GHAAMM CCSCCN(C(=O)c1cnc(-c2ccccn2)[n-]c1=O)C1CCCCC1 ZINC000091848819 211206976 /nfs/dbraw/zinc/20/69/76/211206976.db2.gz UYQIMWCGQXPLJA-UHFFFAOYSA-N -1 1 386.521 3.772 50 0 GHAAMM Cc1ccc(F)cc1/N=c1\oc2cc([O-])ccc2cc1C(=O)NC[C@@H]1CCCO1 ZINC000067298766 211008115 /nfs/dbraw/zinc/00/81/15/211008115.db2.gz XCXDPHNSDUSWMH-QEQSUZCXSA-N -1 1 396.418 3.727 50 0 GHAAMM Cc1ccc(C)c(NC(=O)Cc2cc(=O)[n-]c(SCc3ccccc3F)n2)c1 ZINC000023138433 210436598 /nfs/dbraw/zinc/43/65/98/210436598.db2.gz PFMDBYGRAZCRSA-UHFFFAOYSA-N -1 1 397.475 3.999 50 0 GHAAMM COc1ccc(-n2c(=S)[n-]c(=O)c3c2NCN([C@@H](C)c2ccccc2)C3)cc1 ZINC000019939319 210311450 /nfs/dbraw/zinc/31/14/50/210311450.db2.gz AIYGMUADCFTJJE-AWEZNQCLSA-N -1 1 394.500 3.850 50 0 GHAAMM C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000025071565 570405501 /nfs/dbraw/zinc/40/55/01/570405501.db2.gz RDEHIZIYQLDYHA-AWEZNQCLSA-N -1 1 387.863 3.934 50 0 GHAAMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)C(C)C)CCC2 ZINC000005136619 570423605 /nfs/dbraw/zinc/42/36/05/570423605.db2.gz WYEWEQUEGFWAFJ-UHFFFAOYSA-N -1 1 390.480 3.870 50 0 GHAAMM COC(=O)C1=C(C)Nc2nc(SCC(C)C)[n-]c(=O)c2[C@H]1c1cccs1 ZINC000007990948 570520643 /nfs/dbraw/zinc/52/06/43/570520643.db2.gz NTISQXNYQFAVSE-ZDUSSCGKSA-N -1 1 391.518 3.584 50 0 GHAAMM O=C(NC1CCCC1)C1(c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000033274573 570523232 /nfs/dbraw/zinc/52/32/32/570523232.db2.gz QTGXTUZUGSUQAQ-UHFFFAOYSA-N -1 1 384.501 3.578 50 0 GHAAMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCS2 ZINC000006779067 570585925 /nfs/dbraw/zinc/58/59/25/570585925.db2.gz KSWINQZVOGEHHG-UHFFFAOYSA-N -1 1 390.530 3.817 50 0 GHAAMM CC(=O)N1CCSc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc21 ZINC000006779055 570585936 /nfs/dbraw/zinc/58/59/36/570585936.db2.gz NVFUUBCFPBDFQC-UHFFFAOYSA-N -1 1 376.503 3.563 50 0 GHAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)CN2C(=O)C1CC1 ZINC000065021245 570647965 /nfs/dbraw/zinc/64/79/65/570647965.db2.gz DVDYTFJIYUSZJA-UHFFFAOYSA-N -1 1 384.501 3.830 50 0 GHAAMM Cc1ccc2nc(NC(=O)CCc3c(C)nc4cc(=O)[n-]n4c3C)sc2c1 ZINC000058113322 570709812 /nfs/dbraw/zinc/70/98/12/570709812.db2.gz MHFLSOKIRINIPT-UHFFFAOYSA-N -1 1 381.461 3.541 50 0 GHAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CCC1 ZINC000006934875 570711965 /nfs/dbraw/zinc/71/19/65/570711965.db2.gz JOXVVEGPNPITGD-OAHLLOKOSA-N -1 1 384.501 3.874 50 0 GHAAMM CCc1nnc(-c2c(C)c(S(=O)(=O)[N-]c3ccc(F)c(C)c3)c(C)n2C)o1 ZINC000065186529 570724882 /nfs/dbraw/zinc/72/48/82/570724882.db2.gz RBFJCXXOVDRBJY-UHFFFAOYSA-N -1 1 392.456 3.503 50 0 GHAAMM CCCc1cc(=O)[n-]c(SCc2nc(-c3ccc(OC(C)C)cc3)no2)n1 ZINC000044168960 570868025 /nfs/dbraw/zinc/86/80/25/570868025.db2.gz CBZGOPXFIDAIKM-UHFFFAOYSA-N -1 1 386.477 3.852 50 0 GHAAMM O=C(NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1cncc([O-])c1 ZINC000170645293 570982157 /nfs/dbraw/zinc/98/21/57/570982157.db2.gz JLXVBZRKVIRABY-UHFFFAOYSA-N -1 1 379.363 3.860 50 0 GHAAMM Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000253406389 855048100 /nfs/dbraw/zinc/04/81/00/855048100.db2.gz ZLSFTWFVZIQOEW-NSHDSACASA-N -1 1 395.513 3.941 50 0 GHAAMM COc1c(Cl)c(Cl)ccc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1 ZINC000032601687 856465422 /nfs/dbraw/zinc/46/54/22/856465422.db2.gz NUKXUEMPMLNLKZ-UHFFFAOYSA-N -1 1 376.217 3.501 50 0 GHAAMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cn3ccccc3=O)cc2)cc1 ZINC000040135022 856676145 /nfs/dbraw/zinc/67/61/45/856676145.db2.gz PCCASOBTDDJJEF-UHFFFAOYSA-N -1 1 396.512 3.995 50 0 GHAAMM CCC(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc2C1 ZINC000008976989 856683225 /nfs/dbraw/zinc/68/32/25/856683225.db2.gz NZGBIMJZCXXHEJ-UHFFFAOYSA-N -1 1 398.528 3.661 50 0 GHAAMM O=C(COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)N1CCCCC1 ZINC000009547646 857228610 /nfs/dbraw/zinc/22/86/10/857228610.db2.gz SPIBJZIAVHKMSM-UHFFFAOYSA-N -1 1 379.412 3.557 50 0 biogenic GHAAMM O=C(COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)N1CCCCC1 ZINC000009547646 857228617 /nfs/dbraw/zinc/22/86/17/857228617.db2.gz SPIBJZIAVHKMSM-UHFFFAOYSA-N -1 1 379.412 3.557 50 0 biogenic GHAAMM O=c1cc2nc(-c3cccc(F)c3)nc(SCCCOc3ccccc3)n2[n-]1 ZINC000009641039 857273179 /nfs/dbraw/zinc/27/31/79/857273179.db2.gz MHIXBSNUYKXVAR-UHFFFAOYSA-N -1 1 396.447 3.785 50 0 GHAAMM CN1c2ccccc2Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000009827883 857351851 /nfs/dbraw/zinc/35/18/51/857351851.db2.gz CKUHCOWMQLWEFY-UHFFFAOYSA-N -1 1 380.425 3.870 50 0 GHAAMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCC3)cnc1N1CCCCC1 ZINC000952846971 904629593 /nfs/dbraw/zinc/62/95/93/904629593.db2.gz VDQFFVZGTKATBC-UHFFFAOYSA-N -1 1 399.516 3.700 50 0 GHAAMM CCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc21 ZINC000017247939 210208417 /nfs/dbraw/zinc/20/84/17/210208417.db2.gz RZCJJYHBQDLZTM-UHFFFAOYSA-N -1 1 376.453 3.624 50 0 GHAAMM Cc1cc2c([n-]c(=S)n(NC(=O)c3csc4c3CC[C@H](C)C4)c2=O)s1 ZINC000017080022 210203364 /nfs/dbraw/zinc/20/33/64/210203364.db2.gz MRQJZIKHMBXRRI-QMMMGPOBSA-N -1 1 391.543 3.999 50 0 GHAAMM Cc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000015669309 210160913 /nfs/dbraw/zinc/16/09/13/210160913.db2.gz KEKKFRSWOAOWQP-UHFFFAOYSA-N -1 1 389.864 3.508 50 0 GHAAMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCc3ccccc3C2)cc1 ZINC000012863771 210020834 /nfs/dbraw/zinc/02/08/34/210020834.db2.gz RDDCUPXUTIGUGY-UHFFFAOYSA-N -1 1 394.500 3.591 50 0 GHAAMM COc1cc(NC(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)cc(OC)c1 ZINC000012816907 210015265 /nfs/dbraw/zinc/01/52/65/210015265.db2.gz VXWVZCUZWOWQSK-UHFFFAOYSA-N -1 1 384.461 3.572 50 0 GHAAMM O=C([N-]c1ncn(Cc2cccc(Cl)c2)n1)c1cc(-c2ccccc2)on1 ZINC000002794130 209385270 /nfs/dbraw/zinc/38/52/70/209385270.db2.gz LEGSTBTYESOUMN-UHFFFAOYSA-N -1 1 379.807 3.887 50 0 GHAAMM Cc1ccc(-c2cc(C(=O)[N-]c3ncn(Cc4cccc(F)c4)n3)no2)cc1 ZINC000002797994 209387010 /nfs/dbraw/zinc/38/70/10/209387010.db2.gz AWGVNGPNSILXSK-UHFFFAOYSA-N -1 1 377.379 3.681 50 0 GHAAMM O=S(=O)(Nc1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1 ZINC000000947921 209281938 /nfs/dbraw/zinc/28/19/38/209281938.db2.gz HTCRJPLMWKJJNZ-UHFFFAOYSA-N -1 1 399.312 3.800 50 0 GHAAMM CN1c2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc2OCC(C)(C)C1=O ZINC000009169916 209250728 /nfs/dbraw/zinc/25/07/28/209250728.db2.gz GFBWULDJPSQURE-UHFFFAOYSA-N -1 1 394.880 3.522 50 0 GHAAMM CN1c2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2OCC(C)(C)C1=O ZINC000009165469 209248852 /nfs/dbraw/zinc/24/88/52/209248852.db2.gz LNVLGYIGTNJFKT-UHFFFAOYSA-N -1 1 394.880 3.522 50 0 GHAAMM CN(Cc1cc2ccccc2s1)C(=O)c1cnc(-c2cccnc2)[n-]c1=O ZINC000091486093 211195448 /nfs/dbraw/zinc/19/54/48/211195448.db2.gz RUKDPRQCPGISRA-UHFFFAOYSA-N -1 1 376.441 3.731 50 0 GHAAMM Cc1nc(-c2ncc(C(=O)N3CCC[C@H](c4ccccc4)C3)c(=O)[n-]2)cs1 ZINC000091736455 211206003 /nfs/dbraw/zinc/20/60/03/211206003.db2.gz TYXJZTADAHVWGQ-HNNXBMFYSA-N -1 1 380.473 3.634 50 0 GHAAMM CC(C)n1[n-]c(=O)c2c1[nH]c1nc(=O)sc-1c2-c1cccc(OC(F)F)c1 ZINC000072405439 211113234 /nfs/dbraw/zinc/11/32/34/211113234.db2.gz BCPQMONQSICCDN-UHFFFAOYSA-N -1 1 392.387 3.889 50 0 GHAAMM CC(C)c1ncc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3F)C2)c(=O)[n-]1 ZINC000071753463 211055274 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CCc1noc(C)c1C(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000008395241 856190709 /nfs/dbraw/zinc/19/07/09/856190709.db2.gz VVGRZZYKGGGSFS-UHFFFAOYSA-N -1 1 395.440 3.867 50 0 GHAAMM CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)ccc2o1 ZINC000032097487 862810487 /nfs/dbraw/zinc/81/04/87/862810487.db2.gz PQKJJUGGTUPIJN-UHFFFAOYSA-N -1 1 388.445 3.697 50 0 GHAAMM O=C([O-])c1ccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2cccc(F)c2F)cc1 ZINC000040288112 856726064 /nfs/dbraw/zinc/72/60/64/856726064.db2.gz CVASUAOHIAUWID-SFHVURJKSA-N -1 1 398.369 3.566 50 0 GHAAMM Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3cn4ccc(C)nc4n3)cc2)c1 ZINC000009572139 857236029 /nfs/dbraw/zinc/23/60/29/857236029.db2.gz PYAIQEBTEJDEBN-UHFFFAOYSA-N -1 1 378.457 3.814 50 0 GHAAMM Cc1ncc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)c2)o1 ZINC000009807746 857347715 /nfs/dbraw/zinc/34/77/15/857347715.db2.gz UMOBOJWZRIUICT-UHFFFAOYSA-N -1 1 386.429 3.530 50 0 GHAAMM O=C1C[C@H](c2ccco2)c2c(cc(=O)c3c([O-])c(-c4ccc(O)cc4)coc2-3)O1 ZINC000096115523 860786906 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3.653 50 0 GHAAMM COCCN1CCCc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc21 ZINC000035588217 570402517 /nfs/dbraw/zinc/40/25/17/570402517.db2.gz ORTJFKDIZYRKTJ-UHFFFAOYSA-N -1 1 380.897 3.540 50 0 GHAAMM CCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000012981752 570406879 /nfs/dbraw/zinc/40/68/79/570406879.db2.gz NQYQBKLRJQKETR-CQSZACIVSA-N -1 1 378.469 3.853 50 0 GHAAMM O=S(=O)([N-]c1cccc(-c2ccc(N3CCCC3)nn2)c1)c1ccccc1 ZINC000005144774 570426644 /nfs/dbraw/zinc/42/66/44/570426644.db2.gz QMIKUUMCXBWYPA-UHFFFAOYSA-N -1 1 380.473 3.545 50 0 GHAAMM CCSc1nnc([N-]C(=O)c2nc(SC(C)C)ncc2Cl)s1 ZINC000006748109 570566173 /nfs/dbraw/zinc/56/61/73/570566173.db2.gz NISLKNRLIPPKKA-UHFFFAOYSA-N -1 1 375.932 3.846 50 0 GHAAMM CCOc1ccc(-c2nc3c(c(=O)[n-]2)Cc2cc(C(=O)OC)ccc2O3)cc1 ZINC000006748509 570567468 /nfs/dbraw/zinc/56/74/68/570567468.db2.gz BXZMLDVQXHHOOH-UHFFFAOYSA-N -1 1 378.384 3.731 50 0 GHAAMM CCc1ccccc1S(=O)(=O)[N-]c1cc2sc(NC(C)=O)nc2c(C)c1 ZINC000033007805 570620890 /nfs/dbraw/zinc/62/08/90/570620890.db2.gz QRVPZEUJRLAFDA-UHFFFAOYSA-N -1 1 389.502 3.926 50 0 GHAAMM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CC2)c1C ZINC000006866408 570655222 /nfs/dbraw/zinc/65/52/22/570655222.db2.gz FQKONMCLWQOQBK-AWEZNQCLSA-N -1 1 384.501 3.792 50 0 GHAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2N2CCOCC2)c(C)c1 ZINC000012514770 570675315 /nfs/dbraw/zinc/67/53/15/570675315.db2.gz YFBKWPYEMOMRPS-UHFFFAOYSA-N -1 1 380.897 3.594 50 0 GHAAMM Cc1ccc(C)c(Cc2c(C)nc(N3CCN(c4ccccc4)CC3)[n-]c2=O)c1 ZINC000004626387 570703993 /nfs/dbraw/zinc/70/39/93/570703993.db2.gz XQXNXVJWNWEJHS-UHFFFAOYSA-N -1 1 388.515 3.613 50 0 GHAAMM Cc1ccnc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3C)c2)c1 ZINC000001006623 570745108 /nfs/dbraw/zinc/74/51/08/570745108.db2.gz FZBKFYVIAWWRJW-UHFFFAOYSA-N -1 1 381.457 3.752 50 0 GHAAMM O=S(=O)([N-]C1CCCCCC1)c1ccc(-c2nnc(C3CCCC3)o2)o1 ZINC000065246455 570747697 /nfs/dbraw/zinc/74/76/97/570747697.db2.gz DZKXRSDEMDZMGY-UHFFFAOYSA-N -1 1 379.482 3.988 50 0 GHAAMM O=C(COc1ccc(Cl)cc1Cl)Nc1c([O-])[nH]c2ccccc2c1=O ZINC000036614887 570750845 /nfs/dbraw/zinc/75/08/45/570750845.db2.gz VDINTBFJVMKKTP-UHFFFAOYSA-N -1 1 379.199 3.558 50 0 GHAAMM CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccccc1)C(C(=O)OC(C)C)=C(C)N2 ZINC000018037036 570796756 /nfs/dbraw/zinc/79/67/56/570796756.db2.gz SEQPDOKLJVFGOF-OAHLLOKOSA-N -1 1 385.489 3.665 50 0 GHAAMM CCOC(=O)C1=C(NC(=O)c2cccc(OC)c2)[N-]c2ccccc2N=C1CC ZINC000005694628 570813638 /nfs/dbraw/zinc/81/36/38/570813638.db2.gz OOIBOSMOHYFKQS-UHFFFAOYSA-N -1 1 393.443 3.808 50 0 GHAAMM CCCn1c2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2sc1=O ZINC000046017537 571011605 /nfs/dbraw/zinc/01/16/05/571011605.db2.gz LDKJQAUYZHVFCC-UHFFFAOYSA-N -1 1 382.894 3.927 50 0 GHAAMM CCCn1c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2sc1=O ZINC000046017484 571011859 /nfs/dbraw/zinc/01/18/59/571011859.db2.gz YAFUTYQDFQZQJC-UHFFFAOYSA-N -1 1 382.894 3.927 50 0 GHAAMM O=S(=O)([N-]Cc1ccccc1OC1CCCC1)c1ccc(F)c(F)c1F ZINC000084505917 571020104 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CCCn1c([O-])c(C(=O)Nc2ccc(C(=O)OCC)cc2)c(=O)c2ccccc21 ZINC000005904464 916061507 /nfs/dbraw/zinc/06/15/07/916061507.db2.gz GRXWVCPLEUJQJE-UHFFFAOYSA-N -1 1 394.427 3.546 50 0 GHAAMM Cc1occc1C(=O)[N-]n1c(=O)c2cc(Cc3ccccc3)sc2[nH]c1=S ZINC000017081296 210204519 /nfs/dbraw/zinc/20/45/19/210204519.db2.gz DWEJCVCEXJZACY-UHFFFAOYSA-N -1 1 397.481 3.997 50 0 GHAAMM Cc1occc1C(=O)Nn1c(=O)c2cc(Cc3ccccc3)sc2[n-]c1=S ZINC000017081296 210204517 /nfs/dbraw/zinc/20/45/17/210204517.db2.gz DWEJCVCEXJZACY-UHFFFAOYSA-N -1 1 397.481 3.997 50 0 GHAAMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000016503659 210191430 /nfs/dbraw/zinc/19/14/30/210191430.db2.gz DOLGWLUSIQIBRI-UHFFFAOYSA-N -1 1 394.452 3.942 50 0 GHAAMM O=C(NC1CCCCC1)C1(c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000015869591 210177237 /nfs/dbraw/zinc/17/72/37/210177237.db2.gz BVAYEURRBREESI-UHFFFAOYSA-N -1 1 398.528 3.968 50 0 GHAAMM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)c1 ZINC000014254832 210113505 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COc1ccc([N-]S(=O)(=O)c2cc(-c3cc(C)[nH]n3)ccc2C)cc1OC ZINC000020603438 860617945 /nfs/dbraw/zinc/61/79/45/860617945.db2.gz CXXODBUXOBNGPY-UHFFFAOYSA-N -1 1 387.461 3.512 50 0 GHAAMM CCc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2cc(Cl)ccc2F)n1 ZINC000096379818 860910184 /nfs/dbraw/zinc/91/01/84/860910184.db2.gz QERPCOUWEJYSOE-UHFFFAOYSA-N -1 1 398.847 3.837 50 0 GHAAMM CC1(C)SC(=S)N(N)[C@@H]1N([O-])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000001498325 919136320 /nfs/dbraw/zinc/13/63/20/919136320.db2.gz ACLFLIIVKMBHAK-SECBINFHSA-N -1 1 381.310 3.529 50 0 GHAAMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)S3)cc1 ZINC000000937410 212196629 /nfs/dbraw/zinc/19/66/29/212196629.db2.gz NADXIITZPHQXEL-UHFFFAOYSA-N -1 1 398.465 3.845 50 0 GHAAMM CCCc1cc(=O)[n-]c(SCc2nnc(-c3cc(C)c(CC)s3)o2)n1 ZINC000008938178 221064017 /nfs/dbraw/zinc/06/40/17/221064017.db2.gz VABOTIUVTYVWFQ-UHFFFAOYSA-N -1 1 376.507 3.997 50 0 GHAAMM O=C1Nc2ccccc2Oc2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc21 ZINC000008961209 221065333 /nfs/dbraw/zinc/06/53/33/221065333.db2.gz URFHKCZRVOIWPN-UHFFFAOYSA-N -1 1 384.388 3.985 50 0 GHAAMM NC(=O)c1cc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)ccc1[O-] ZINC000009376493 221078661 /nfs/dbraw/zinc/07/86/61/221078661.db2.gz URHOGWCHWAOPTA-UHFFFAOYSA-N -1 1 379.441 3.630 50 0 GHAAMM CCCCN(C)C(=O)COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000009476977 221082734 /nfs/dbraw/zinc/08/27/34/221082734.db2.gz FKFXHGRRGBTROI-UHFFFAOYSA-N -1 1 381.428 3.803 50 0 biogenic GHAAMM CCCCN(C)C(=O)COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000009476977 221082737 /nfs/dbraw/zinc/08/27/37/221082737.db2.gz FKFXHGRRGBTROI-UHFFFAOYSA-N -1 1 381.428 3.803 50 0 biogenic GHAAMM Cc1nc2cc(F)ccc2cc1C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000010859991 221108763 /nfs/dbraw/zinc/10/87/63/221108763.db2.gz PMPUBWYWUKULHB-UHFFFAOYSA-N -1 1 379.343 3.851 50 0 GHAAMM CCc1ccccc1NC(=O)CSc1nc(C)c(Cc2ccccc2)c(=O)[n-]1 ZINC000011905582 221135227 /nfs/dbraw/zinc/13/52/27/221135227.db2.gz RGDMAMLHVUVMPT-UHFFFAOYSA-N -1 1 393.512 3.962 50 0 GHAAMM CCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000012551976 221204597 /nfs/dbraw/zinc/20/45/97/221204597.db2.gz QIEAKQSBXKQRBG-UHFFFAOYSA-N -1 1 387.288 3.934 50 0 GHAAMM O=S(=O)([N-]c1cc2c(cc1Cl)OCO2)c1ccc(Br)s1 ZINC000012680171 221217905 /nfs/dbraw/zinc/21/79/05/221217905.db2.gz OBVLDXUQJNJDET-UHFFFAOYSA-N -1 1 396.671 3.694 50 0 GHAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2N2CCOCC2)c(C)c1 ZINC000013042484 221259061 /nfs/dbraw/zinc/25/90/61/221259061.db2.gz IZCPHNROCCALTO-UHFFFAOYSA-N -1 1 380.897 3.594 50 0 GHAAMM Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)Nc1cccc(Br)c1 ZINC000013722708 221284221 /nfs/dbraw/zinc/28/42/21/221284221.db2.gz IEUNWDJSBUTIHI-UHFFFAOYSA-N -1 1 388.217 3.751 50 0 GHAAMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)C[C@H](C)S2 ZINC000015730344 221342327 /nfs/dbraw/zinc/34/23/27/221342327.db2.gz TVOOWYDELMPESD-ZDUSSCGKSA-N -1 1 376.503 3.927 50 0 GHAAMM CC(=O)N1CCCSc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc21 ZINC000015734495 221343189 /nfs/dbraw/zinc/34/31/89/221343189.db2.gz DRLGJRJLWDWDLP-UHFFFAOYSA-N -1 1 396.921 3.990 50 0 GHAAMM CCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3ccc(F)c(F)c3)ccc2s1 ZINC000015870057 221350921 /nfs/dbraw/zinc/35/09/21/221350921.db2.gz YTWNGWZDRVJPRI-UHFFFAOYSA-N -1 1 397.428 3.724 50 0 GHAAMM Cc1cc2c([n-]c(=S)n(NC(=O)c3csc4c3CCCC4)c2=O)s1 ZINC000017077259 221376477 /nfs/dbraw/zinc/37/64/77/221376477.db2.gz IJQHKYLBBPYQRM-UHFFFAOYSA-N -1 1 377.516 3.753 50 0 GHAAMM Cc1cc(=O)[n-]c(SCC(=O)N2c3ccccc3CCc3ccccc32)n1 ZINC000017751444 221385208 /nfs/dbraw/zinc/38/52/08/221385208.db2.gz PJZLSXOSRCDCHK-UHFFFAOYSA-N -1 1 377.469 3.634 50 0 GHAAMM Cc1cccc(N2CCN(C(=O)c3cc(Br)ccc3[O-])CC2)c1C ZINC000012534045 136200413 /nfs/dbraw/zinc/20/04/13/136200413.db2.gz RHABEEWMCOQEBC-UHFFFAOYSA-N -1 1 389.293 3.734 50 0 GHAAMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCC2)cc1 ZINC000055581186 222024669 /nfs/dbraw/zinc/02/46/69/222024669.db2.gz WFUYERNGJUYWRS-UHFFFAOYSA-N -1 1 378.881 3.685 50 0 GHAAMM Cc1cccc([N-]S(=O)(=O)c2ccc3onc(C(=O)N4CCCCC4)c3c2)c1 ZINC000065115354 222101862 /nfs/dbraw/zinc/10/18/62/222101862.db2.gz PFMQNZDXJKDRTI-UHFFFAOYSA-N -1 1 399.472 3.563 50 0 GHAAMM CCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCCS3)c1 ZINC000064952106 222089207 /nfs/dbraw/zinc/08/92/07/222089207.db2.gz YYUQVEOKNJGEMY-UHFFFAOYSA-N -1 1 390.530 3.899 50 0 GHAAMM Cc1ccccc1-c1cc(O)c2c(c1)CN(C(=O)c1ccc([O-])cn1)CCO2 ZINC000067867619 222164195 /nfs/dbraw/zinc/16/41/95/222164195.db2.gz LHDUHWOXSVZKSO-UHFFFAOYSA-N -1 1 376.412 3.503 50 0 GHAAMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(CN2CCCC2=O)c1 ZINC000048354273 570241299 /nfs/dbraw/zinc/24/12/99/570241299.db2.gz OZRVRDTXVSATNM-UHFFFAOYSA-N -1 1 378.881 3.572 50 0 GHAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnc4n3CCCCC4)c2)cc1 ZINC000006315479 570376742 /nfs/dbraw/zinc/37/67/42/570376742.db2.gz YVHQLGRNKOBLOJ-UHFFFAOYSA-N -1 1 382.489 3.781 50 0 GHAAMM COc1cc(Cl)c([N-]S(=O)(=O)c2cc(-c3ccno3)oc2C)c(OC)c1 ZINC000032971382 570398050 /nfs/dbraw/zinc/39/80/50/570398050.db2.gz LOQYUEPQWSEGSP-UHFFFAOYSA-N -1 1 398.824 3.714 50 0 GHAAMM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)cc1 ZINC000004809535 570407058 /nfs/dbraw/zinc/40/70/58/570407058.db2.gz DJIPPUSUTDPZSW-UHFFFAOYSA-N -1 1 389.477 3.564 50 0 GHAAMM CCC(=O)Nc1nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2s1 ZINC000033007510 570620999 /nfs/dbraw/zinc/62/09/99/570620999.db2.gz ZWJHYNPCYLWTEK-UHFFFAOYSA-N -1 1 379.438 3.585 50 0 GHAAMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)cc1Cl ZINC000007003354 570737727 /nfs/dbraw/zinc/73/77/27/570737727.db2.gz JSHOYLMGBRVAJL-UHFFFAOYSA-N -1 1 398.893 3.584 50 0 GHAAMM CCn1c2ccccc2c2cc(NC(=O)c3ccc(S(=O)(=O)[N-]C)o3)ccc21 ZINC000032801247 570825392 /nfs/dbraw/zinc/82/53/92/570825392.db2.gz XYHISAHVMDGVAX-UHFFFAOYSA-N -1 1 397.456 3.568 50 0 GHAAMM O=S(=O)([N-]c1ccc2nc(N3CCCC3)sc2c1)c1cccc(F)c1 ZINC000012561092 570865252 /nfs/dbraw/zinc/86/52/52/570865252.db2.gz SUMQTNMDPSCMJU-UHFFFAOYSA-N -1 1 377.466 3.836 50 0 GHAAMM COc1ccc([O-])c(C(=O)c2coc(=N)c(C(=O)Nc3ccc(Cl)cc3)c2)c1 ZINC000006490579 570925924 /nfs/dbraw/zinc/92/59/24/570925924.db2.gz DZIZWIBSSYNZAV-UHFFFAOYSA-N -1 1 398.802 3.610 50 0 GHAAMM Cc1nn(-c2ccc(C)c(C)c2)c2c1[C@H](C(=O)c1ccc([O-])cc1)CC(=O)N2 ZINC000046056845 571017347 /nfs/dbraw/zinc/01/73/47/571017347.db2.gz YOHHAOBEELHDHU-GOSISDBHSA-N -1 1 375.428 3.812 50 0 GHAAMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1NC(C)=O ZINC000004813767 571043096 /nfs/dbraw/zinc/04/30/96/571043096.db2.gz MCHMZZFCDUNOKR-UHFFFAOYSA-N -1 1 382.869 3.806 50 0 GHAAMM O=C([O-])c1cccc([C@H]2CCCN(C(=O)C3CCN(Cc4ccco4)CC3)C2)c1 ZINC000095362687 571056385 /nfs/dbraw/zinc/05/63/85/571056385.db2.gz IPZOEMULRIHKNC-FQEVSTJZSA-N -1 1 396.487 3.596 50 0 GHAAMM CCOc1ccc(Nc2nc([O-])c(CC(=O)Nc3cccc(C)c3)s2)cc1 ZINC000005931098 842041195 /nfs/dbraw/zinc/04/11/95/842041195.db2.gz BWBRJRJNZAONMB-QGZVFWFLSA-N -1 1 383.473 3.832 50 0 GHAAMM O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1cc(Br)ccc1[O-] ZINC000031264662 862531290 /nfs/dbraw/zinc/53/12/90/862531290.db2.gz JEHHRGMVGDDQNX-OAHLLOKOSA-N -1 1 392.249 3.965 50 0 GHAAMM O=c1oc2c(cc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2Cl)s1 ZINC000003653702 862546023 /nfs/dbraw/zinc/54/60/23/862546023.db2.gz ARIZSMJPDIGQRU-UHFFFAOYSA-N -1 1 376.242 3.962 50 0 GHAAMM COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)CC(C)(C)C)c2)cc1 ZINC000031548626 862614262 /nfs/dbraw/zinc/61/42/62/862614262.db2.gz GHHIUGKXGQKKEY-UHFFFAOYSA-N -1 1 376.478 3.871 50 0 GHAAMM Cc1n[nH]c(-c2ccc(F)cc2)c1CC(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000253411926 856980084 /nfs/dbraw/zinc/98/00/84/856980084.db2.gz PHSZEZZSNBBIGD-UHFFFAOYSA-N -1 1 387.455 3.608 50 0 GHAAMM CN(C(=O)c1ncccc1[O-])C1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000374870430 859503221 /nfs/dbraw/zinc/50/32/21/859503221.db2.gz ZESUKAOLRBASIC-UHFFFAOYSA-N -1 1 379.382 3.547 50 0 GHAAMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1cccc2c1ccnc2C(=O)OC ZINC000095452048 860587647 /nfs/dbraw/zinc/58/76/47/860587647.db2.gz IGTOAJITEICTNS-UHFFFAOYSA-N -1 1 398.484 3.947 50 0 GHAAMM CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCS3)cc1 ZINC000020509113 860592847 /nfs/dbraw/zinc/59/28/47/860592847.db2.gz MNIYWOPAKPDWFE-UHFFFAOYSA-N -1 1 376.503 3.508 50 0 GHAAMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C)o3)cc2)cc1 ZINC000021032010 860700466 /nfs/dbraw/zinc/70/04/66/860700466.db2.gz UNCFOKWUPTWDEW-UHFFFAOYSA-N -1 1 386.429 3.628 50 0 GHAAMM CC1=C/C(=C2\C(=O)[N-]C(=S)NC2=O)C=C(C(F)(F)F)N1Cc1ccccc1 ZINC000001151909 212223954 /nfs/dbraw/zinc/22/39/54/212223954.db2.gz MNGXUGSTRXRLNI-UHFFFAOYSA-N -1 1 393.390 3.520 50 0 GHAAMM CC1=C/C(=C2/C(=O)[N-]C(=S)NC2=O)C=C(C(F)(F)F)N1Cc1ccccc1 ZINC000001151909 212223958 /nfs/dbraw/zinc/22/39/58/212223958.db2.gz MNGXUGSTRXRLNI-UHFFFAOYSA-N -1 1 393.390 3.520 50 0 GHAAMM CC1=CC(=C2C(=O)[N-]C(=S)NC2=O)C=C(C(F)(F)F)N1Cc1ccccc1 ZINC000001151909 212223961 /nfs/dbraw/zinc/22/39/61/212223961.db2.gz MNGXUGSTRXRLNI-UHFFFAOYSA-N -1 1 393.390 3.520 50 0 GHAAMM CCOC(=O)c1ccc(-c2ccc(C=C(Sc3nnc(C)[nH]3)C(=O)[O-])o2)cc1 ZINC000009242486 221076116 /nfs/dbraw/zinc/07/61/16/221076116.db2.gz PNAALEOENQUHLP-MHWRWJLKSA-N -1 1 399.428 3.768 50 0 GHAAMM CCOC(=O)c1ccc(-c2ccc(C=C(Sc3n[nH]c(C)n3)C(=O)[O-])o2)cc1 ZINC000009242486 221076119 /nfs/dbraw/zinc/07/61/19/221076119.db2.gz PNAALEOENQUHLP-MHWRWJLKSA-N -1 1 399.428 3.768 50 0 GHAAMM CCCSc1nc2c(c(=O)[n-]1)[C@H](c1cccc(C)c1)C(C(=O)OC)=C(C)N2 ZINC000009569586 221085335 /nfs/dbraw/zinc/08/53/35/221085335.db2.gz XRGCUGFUMVDGCL-OAHLLOKOSA-N -1 1 385.489 3.585 50 0 GHAAMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nnnn3C3CC3)c2)cc1 ZINC000010657310 221105943 /nfs/dbraw/zinc/10/59/43/221105943.db2.gz OULAEBRSMCPCPI-UHFFFAOYSA-N -1 1 397.504 3.773 50 0 GHAAMM Cc1cc(=O)[n-]c(-n2nc(-c3cccs3)cc2NC(=O)C2CCCCC2)n1 ZINC000011854346 221131936 /nfs/dbraw/zinc/13/19/36/221131936.db2.gz RJKYWIAEMHCMGD-UHFFFAOYSA-N -1 1 383.477 3.511 50 0 GHAAMM CCCCOc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000011613984 221118520 /nfs/dbraw/zinc/11/85/20/221118520.db2.gz QMOJTDDIZUJBCQ-UHFFFAOYSA-N -1 1 377.462 3.981 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50 0 GHAAMM O=C(Nc1ccccc1Cl)c1ccc(S(=O)(=O)[N-]Cc2cccs2)o1 ZINC000035597565 570400416 /nfs/dbraw/zinc/40/04/16/570400416.db2.gz RAZHFOLFMVKXRG-UHFFFAOYSA-N -1 1 396.877 3.725 50 0 GHAAMM O=S(=O)([N-]c1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1ccc(F)cc1 ZINC000005144800 570426601 /nfs/dbraw/zinc/42/66/01/570426601.db2.gz DYUGNFXQTVSLEN-UHFFFAOYSA-N -1 1 398.463 3.684 50 0 GHAAMM O=C(CSc1nc(C(F)(F)F)cc(=O)[n-]1)Nc1cccc2ccccc21 ZINC000005155059 570429229 /nfs/dbraw/zinc/42/92/29/570429229.db2.gz GQFADVRCVZYYAW-UHFFFAOYSA-N -1 1 379.363 3.673 50 0 GHAAMM CCOc1ccccc1NC(=O)CSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000005154822 570429256 /nfs/dbraw/zinc/42/92/56/570429256.db2.gz JSWSYVLACOOCCS-UHFFFAOYSA-N -1 1 381.457 3.566 50 0 GHAAMM O=C(C1CCC1)N1CCc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc21 ZINC000006730434 570556386 /nfs/dbraw/zinc/55/63/86/570556386.db2.gz HXXZYEVLUHLRCX-UHFFFAOYSA-N -1 1 390.892 3.830 50 0 GHAAMM Cc1nnc2ccc(-c3cccc([N-]S(=O)(=O)c4cccc(Cl)c4)c3)nn12 ZINC000005150928 570659544 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CCCN(Cc1ccc(F)cc1)C(=O)c1cnc(-c2ccc(C)cc2)[n-]c1=O ZINC000091550964 571014381 /nfs/dbraw/zinc/01/43/81/571014381.db2.gz RAAIARUWWVRQMW-UHFFFAOYSA-N -1 1 379.435 3.937 50 0 GHAAMM Cc1nc(-c2ncc(C(=O)N3CCC[C@@H](c4ccccc4)C3)c(=O)[n-]2)cs1 ZINC000091736460 571028264 /nfs/dbraw/zinc/02/82/64/571028264.db2.gz TYXJZTADAHVWGQ-OAHLLOKOSA-N -1 1 380.473 3.634 50 0 GHAAMM COc1ccc([C@H]2CCCCN2C(=O)c2cnc(-c3ccccc3)[n-]c2=O)cc1 ZINC000092077663 571043737 /nfs/dbraw/zinc/04/37/37/571043737.db2.gz HHNMNHCJKZJVGU-HXUWFJFHSA-N -1 1 389.455 3.813 50 0 GHAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2NC(C)C)cc1OC ZINC000079094984 848196912 /nfs/dbraw/zinc/19/69/12/848196912.db2.gz UFKVLDXHVLUSOU-UHFFFAOYSA-N -1 1 384.885 3.978 50 0 GHAAMM COc1ccc(C(=O)Nc2ccc(-c3nc4cnccc4o3)c([O-])c2)cc1OC ZINC000032103127 862814320 /nfs/dbraw/zinc/81/43/20/862814320.db2.gz ZZTPNAUSPWMANE-UHFFFAOYSA-N -1 1 391.383 3.865 50 0 GHAAMM COC(=O)C[C@@H](c1c(=O)[nH][n-]c1Cc1ccccc1)c1ccc(O)c(Cl)c1 ZINC000096117294 860786590 /nfs/dbraw/zinc/78/65/90/860786590.db2.gz JBGUXSGAOLXMHI-CQSZACIVSA-N -1 1 386.835 3.760 50 0 GHAAMM CN1c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2OCC(C)(C)C1=O ZINC000009165571 212164372 /nfs/dbraw/zinc/16/43/72/212164372.db2.gz PCDWEXSCORJYTJ-UHFFFAOYSA-N -1 1 394.880 3.522 50 0 GHAAMM O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@@H]1c1ccccc1Cl)c1ccccc1 ZINC000245015203 212133517 /nfs/dbraw/zinc/13/35/17/212133517.db2.gz LQLIFPNCYWJSQV-RBUKOAKNSA-N -1 1 390.826 3.891 50 0 GHAAMM O=C(Cc1sc(NC2CC2)nc1[O-])Nc1ccc(Oc2ccccc2)cc1 ZINC000007987353 221019891 /nfs/dbraw/zinc/01/98/91/221019891.db2.gz BRBSIEZYCIHXQF-KRWDZBQOSA-N -1 1 381.457 3.558 50 0 GHAAMM CC(C)CN1C(=O)CCc2cc([N-]S(=O)(=O)c3cccc(F)c3)ccc21 ZINC000008840847 221059471 /nfs/dbraw/zinc/05/94/71/221059471.db2.gz IZCXGPZWNANVNO-UHFFFAOYSA-N -1 1 376.453 3.562 50 0 GHAAMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc3c(c2)OCCCO3)c1 ZINC000011761421 221124105 /nfs/dbraw/zinc/12/41/05/221124105.db2.gz VLCXPKOMNDTAKF-UHFFFAOYSA-N -1 1 396.472 3.716 50 0 GHAAMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CCc2ccccc21 ZINC000012508298 221200317 /nfs/dbraw/zinc/20/03/17/221200317.db2.gz OMIBSWVDWPOIAD-UHFFFAOYSA-N -1 1 396.443 3.829 50 0 GHAAMM C[C@H]1C[C@H](C)CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000012521372 221200931 /nfs/dbraw/zinc/20/09/31/221200931.db2.gz HOZMDKNNTLRIDG-GJZGRUSLSA-N -1 1 390.480 3.745 50 0 GHAAMM CCOc1ccc(-c2n[n-]c(=S)n2CC(=O)N[C@@H]2CCc3ccccc32)cc1 ZINC000014200448 221304080 /nfs/dbraw/zinc/30/40/80/221304080.db2.gz ZCWCNEFGYHCCET-GOSISDBHSA-N -1 1 394.500 3.810 50 0 GHAAMM CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)CS3)cc1 ZINC000015730661 221342270 /nfs/dbraw/zinc/34/22/70/221342270.db2.gz KOYASZVJUXMRBE-GFCCVEGCSA-N -1 1 376.503 3.730 50 0 GHAAMM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)c1C ZINC000015730342 221342512 /nfs/dbraw/zinc/34/25/12/221342512.db2.gz FCNZILLFCOLGIH-LBPRGKRZSA-N -1 1 376.503 3.927 50 0 GHAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)c2ccccc12 ZINC000016780729 221370880 /nfs/dbraw/zinc/37/08/80/221370880.db2.gz DMZZBAHKBKCXDM-UHFFFAOYSA-N -1 1 384.457 3.998 50 0 GHAAMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3C)ccc21 ZINC000014189002 136201562 /nfs/dbraw/zinc/20/15/62/136201562.db2.gz LCPCZHYWDRSPJC-UHFFFAOYSA-N -1 1 378.881 3.748 50 0 GHAAMM CCOc1cc(Cl)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000032601629 221723408 /nfs/dbraw/zinc/72/34/08/221723408.db2.gz QKDJFQPDHDZTBJ-UHFFFAOYSA-N -1 1 390.244 3.891 50 0 GHAAMM Cc1nc(-c2c[nH]c(C(=O)N3CCC(C(=O)c4ccc([O-])cc4)CC3)c2)cs1 ZINC000055315666 222021401 /nfs/dbraw/zinc/02/14/01/222021401.db2.gz SFZZRRACGPSFDS-UHFFFAOYSA-N -1 1 395.484 3.887 50 0 GHAAMM Cc1sc(-c2nnc(C3CC3)o2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000065149438 222103741 /nfs/dbraw/zinc/10/37/41/222103741.db2.gz QXFOPENXNOGDJW-UHFFFAOYSA-N -1 1 379.438 3.924 50 0 GHAAMM CCCNC(=O)N1CCc2cc(S(=O)(=O)[N-]c3c(C)cccc3C)ccc21 ZINC000064861612 222084659 /nfs/dbraw/zinc/08/46/59/222084659.db2.gz PTFJWRRFJLMHHH-UHFFFAOYSA-N -1 1 387.505 3.586 50 0 GHAAMM Cc1cc(F)ccc1/N=c1\oc2cc([O-])ccc2cc1C(=O)NC[C@@H]1CCCO1 ZINC000067298753 222145358 /nfs/dbraw/zinc/14/53/58/222145358.db2.gz VQJAOKLTPQGSTO-QEQSUZCXSA-N -1 1 396.418 3.727 50 0 GHAAMM O=C([O-])CCc1cc2n(n1)CCCN(Cc1ccccc1-c1ccccc1)C2 ZINC000072426649 222259635 /nfs/dbraw/zinc/25/96/35/222259635.db2.gz JUEFNOXLXCARBN-UHFFFAOYSA-N -1 1 375.472 3.973 50 0 GHAAMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H](C)C(C)(C)C)cc1 ZINC000072310150 570305049 /nfs/dbraw/zinc/30/50/49/570305049.db2.gz DQXDRBXGCFSTSG-CYBMUJFWSA-N -1 1 376.526 3.947 50 0 GHAAMM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 ZINC000003252545 570334410 /nfs/dbraw/zinc/33/44/10/570334410.db2.gz UPDFFRNGNMGTCD-UHFFFAOYSA-N -1 1 390.642 3.602 50 0 GHAAMM O=C([O-])c1ccccc1NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)S2 ZINC000035340650 570343135 /nfs/dbraw/zinc/34/31/35/570343135.db2.gz WEJGYGJTWBMRQL-UHFFFAOYSA-N -1 1 385.422 3.585 50 0 GHAAMM O=S(=O)(Cc1ccccc1F)[N-]c1ccccc1-c1cn2c(n1)CCCC2 ZINC000575619196 570367011 /nfs/dbraw/zinc/36/70/11/570367011.db2.gz INBAMLJYBUCAPR-UHFFFAOYSA-N -1 1 385.464 3.967 50 0 GHAAMM CCc1nc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(F)c3)c2)no1 ZINC000035556942 570395787 /nfs/dbraw/zinc/39/57/87/570395787.db2.gz AXYNDOLQXBDFPP-UHFFFAOYSA-N -1 1 375.425 3.856 50 0 GHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2ccco2)CCC3)cc1 ZINC000005136512 570424604 /nfs/dbraw/zinc/42/46/04/570424604.db2.gz WSWAMFVHYSBSOX-UHFFFAOYSA-N -1 1 396.468 3.982 50 0 GHAAMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)ccc1Cl ZINC000044330190 570436678 /nfs/dbraw/zinc/43/66/78/570436678.db2.gz MZLGELDXMWUEBR-UHFFFAOYSA-N -1 1 378.208 3.720 50 0 GHAAMM Cc1ccc(NC(=O)[C@@H](C)Sc2nc3c(c(=O)[n-]2)CCCC3)cc1Cl ZINC000008587362 570535012 /nfs/dbraw/zinc/53/50/12/570535012.db2.gz AGTATSZFZZNXDZ-LLVKDONJSA-N -1 1 377.897 3.730 50 0 GHAAMM CC(=O)N1C[C@@H](C)Sc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc21 ZINC000006779490 570586589 /nfs/dbraw/zinc/58/65/89/570586589.db2.gz SXHGFICMZRLTEB-CQSZACIVSA-N -1 1 390.530 3.951 50 0 GHAAMM CC(=O)Nc1nc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2s1 ZINC000033007607 570621004 /nfs/dbraw/zinc/62/10/04/570621004.db2.gz NKKHHDRSLRYJBL-UHFFFAOYSA-N -1 1 381.866 3.709 50 0 GHAAMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CC2)cc1F ZINC000006866712 570654597 /nfs/dbraw/zinc/65/45/97/570654597.db2.gz GEACHOOXSRNUGA-CYBMUJFWSA-N -1 1 388.464 3.623 50 0 GHAAMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)C1CC1 ZINC000006866412 570655230 /nfs/dbraw/zinc/65/52/30/570655230.db2.gz MDSKANMVQOHVRM-HNNXBMFYSA-N -1 1 384.501 3.792 50 0 GHAAMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CC2)c1 ZINC000006866543 570655453 /nfs/dbraw/zinc/65/54/53/570655453.db2.gz MPUZYEKNRIPFKC-OAHLLOKOSA-N -1 1 384.501 3.792 50 0 GHAAMM COc1cccc2cc(C(=O)Nc3ccccc3Br)/c(=N/[O-])oc21 ZINC000004616363 570672039 /nfs/dbraw/zinc/67/20/39/570672039.db2.gz IZCFNCSVUXWGKV-JZJYNLBNSA-N -1 1 389.205 3.746 50 0 GHAAMM O=S(=O)([N-]c1cccc(-c2nnc3n2CCCCC3)c1)c1cccc(F)c1 ZINC000007051595 570771164 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397.456 3.919 50 0 GHAAMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)C2CC2)CC3)cc1 ZINC000008977402 221066736 /nfs/dbraw/zinc/06/67/36/221066736.db2.gz DPQMVWUDGDWWAW-UHFFFAOYSA-N -1 1 398.528 3.906 50 0 GHAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccccn2)cc1 ZINC000010556790 221105458 /nfs/dbraw/zinc/10/54/58/221105458.db2.gz HUVBLHSJESFQGM-MRXNPFEDSA-N -1 1 395.484 3.682 50 0 GHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)cc1 ZINC000010112581 221097572 /nfs/dbraw/zinc/09/75/72/221097572.db2.gz SPIKYMVIXKWRTR-INIZCTEOSA-N -1 1 386.517 3.976 50 0 GHAAMM O=C(CSc1nc(-c2ccccc2)cc(=O)[n-]1)Nc1ccc(F)c(Cl)c1 ZINC000011905622 221134458 /nfs/dbraw/zinc/13/44/58/221134458.db2.gz YYZDCEKLHCSEBF-UHFFFAOYSA-N -1 1 389.839 3.960 50 0 GHAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CCC[C@H](C)C2)c1 ZINC000012536222 221203713 /nfs/dbraw/zinc/20/37/13/221203713.db2.gz ZQHTVNWEVPWFQQ-HNNXBMFYSA-N -1 1 386.517 3.976 50 0 GHAAMM 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