smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cccc(Cl)c2)c1 ZINC001440575884 1065951462 /nfs/dbraw/zinc/95/14/62/1065951462.db2.gz MXDVPWXXCCNYSE-UHFFFAOYSA-N -1 0 459.911 4.918 20 5 JJBDRM Cc1cc([C@H](C)NC(=O)c2ccccc2[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC001441200171 1066015138 /nfs/dbraw/zinc/01/51/38/1066015138.db2.gz MZJLCRFTNOTQGX-AWEZNQCLSA-N -1 0 459.549 4.565 20 5 JJBDRM O=C(c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N(c1ccccc1)C1CCC1 ZINC001454266659 1066260727 /nfs/dbraw/zinc/26/07/27/1066260727.db2.gz LEHSDTYGERCASB-UHFFFAOYSA-N -1 0 451.504 4.595 20 5 JJBDRM C[C@H](NC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001455441806 1066390381 /nfs/dbraw/zinc/39/03/81/1066390381.db2.gz AXMTZDHZFTYCBL-AWEZNQCLSA-N -1 0 459.911 4.540 20 5 JJBDRM COc1ccccc1[C@@H](CC(C)C)NC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001445460333 1066573772 /nfs/dbraw/zinc/57/37/72/1066573772.db2.gz NFMWPHZHTYOFJT-MRXNPFEDSA-N -1 0 458.902 4.665 20 5 JJBDRM Cc1cccc(Oc2ccccc2C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c1 ZINC001463045960 1068263895 /nfs/dbraw/zinc/26/38/95/1068263895.db2.gz BRKTZSKNPSJUHE-UHFFFAOYSA-N -1 0 450.875 4.967 20 5 JJBDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCCC2CCCC2)cc([N+](=O)[O-])c1C ZINC001463527213 1068428741 /nfs/dbraw/zinc/42/87/41/1068428741.db2.gz UHCCDTPPIXNCIG-UHFFFAOYSA-N -1 0 459.568 4.713 20 5 JJBDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccccc2Cl)cc([N+](=O)[O-])c1C ZINC001463663721 1068487749 /nfs/dbraw/zinc/48/77/49/1068487749.db2.gz GTQMAVJLPCYYMR-UHFFFAOYSA-N -1 0 459.911 4.918 20 5 JJBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@@H]2CCCC[C@H]2C)c1 ZINC001464645446 1068809835 /nfs/dbraw/zinc/80/98/35/1068809835.db2.gz OZSPAPAIWSBEIO-AEFFLSMTSA-N -1 0 459.568 4.569 20 5 JJBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@H]2CCCC[C@H]2C)c1 ZINC001464645451 1068809990 /nfs/dbraw/zinc/80/99/90/1068809990.db2.gz OZSPAPAIWSBEIO-SJLPKXTDSA-N -1 0 459.568 4.569 20 5 JJBDRM CCOC(=O)c1onc(-c2ccccc2)c1[N-]C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001436246420 1065273517 /nfs/dbraw/zinc/27/35/17/1065273517.db2.gz ITYBUOGCYNOVCT-UHFFFAOYSA-N -1 0 450.234 4.986 20 5 JJBDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(F)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC001438210667 1065697167 /nfs/dbraw/zinc/69/71/67/1065697167.db2.gz XHYODRJOJDLXMH-UHFFFAOYSA-N -1 0 459.421 4.665 20 5 JJBDRM O=C(N[C@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1)c1cccc([N+](=O)[O-])c1[O-] ZINC001440954824 1065996860 /nfs/dbraw/zinc/99/68/60/1065996860.db2.gz MDIQASYIQRIMHC-GOSISDBHSA-N -1 0 456.380 4.715 20 5 JJBDRM Cc1ccc([C@H](C)NC(=O)c2ccccc2[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)s1 ZINC001442268369 1066111180 /nfs/dbraw/zinc/11/11/80/1066111180.db2.gz YSXKXHYPDJEYSZ-HNNXBMFYSA-N -1 0 459.549 4.565 20 5 JJBDRM C[C@@H](NC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001455648222 1066419131 /nfs/dbraw/zinc/41/91/31/1066419131.db2.gz VUYDAZZYIRURKF-CQSZACIVSA-N -1 0 459.911 4.540 20 5 JJBDRM C[C@@H](NC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])c1ccccc1C(F)(F)F ZINC001444901377 1066517500 /nfs/dbraw/zinc/51/75/00/1066517500.db2.gz DUOVHNKBUVLNHQ-SNVBAGLBSA-N -1 0 454.792 4.649 20 5 JJBDRM COc1ccccc1[C@H](CC(C)C)NC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001445460329 1066573594 /nfs/dbraw/zinc/57/35/94/1066573594.db2.gz NFMWPHZHTYOFJT-INIZCTEOSA-N -1 0 458.902 4.665 20 5 JJBDRM O=C(Nc1ccccc1Oc1ccccn1)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001456609976 1066642402 /nfs/dbraw/zinc/64/24/02/1066642402.db2.gz KMRVDCHLDFDPAT-UHFFFAOYSA-N -1 0 451.826 4.579 20 5 JJBDRM CC1(c2cccc(Br)c2)CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC001446240946 1066678067 /nfs/dbraw/zinc/67/80/67/1066678067.db2.gz UFLVWJICGWLMJA-UHFFFAOYSA-N -1 0 453.720 4.910 20 5 JJBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(OC(F)(F)F)cc1Br ZINC001446830518 1066746093 /nfs/dbraw/zinc/74/60/93/1066746093.db2.gz UOKBDVVWGPTWIZ-UHFFFAOYSA-N -1 0 455.570 4.867 20 5 JJBDRM O=C(COc1ccc2ccccc2c1Br)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001446829222 1066746246 /nfs/dbraw/zinc/74/62/46/1066746246.db2.gz MVHLVOGBXBEUQG-UHFFFAOYSA-N -1 0 451.660 4.887 20 5 JJBDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@@H]2CC[C@@H](C)[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC001447499501 1066815931 /nfs/dbraw/zinc/81/59/31/1066815931.db2.gz XZPPRJQBDQHQJH-RVKKMQEKSA-N -1 0 459.568 4.567 20 5 JJBDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@@H]2CC[C@@H](C)[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC001447499478 1066816148 /nfs/dbraw/zinc/81/61/48/1066816148.db2.gz XZPPRJQBDQHQJH-IIDMSEBBSA-N -1 0 459.568 4.567 20 5 JJBDRM O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])N1CC=C(c2cccc(Cl)c2)CC1 ZINC001448818234 1066959443 /nfs/dbraw/zinc/95/94/43/1066959443.db2.gz PJVYSRQWAYDZOH-UHFFFAOYSA-N -1 0 459.289 4.722 20 5 JJBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)CCC3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC001464668474 1068818420 /nfs/dbraw/zinc/81/84/20/1068818420.db2.gz MMMZMPNTHWGOQK-UHFFFAOYSA-N -1 0 459.568 4.746 20 5 JJBDRM Cc1csc(-c2ccc(NC(=O)c3nn(-c4cc(Cl)ccc4[N+](=O)[O-])cc3[O-])cc2)n1 ZINC001442835347 1066229016 /nfs/dbraw/zinc/22/90/16/1066229016.db2.gz BAIJILAYZGVMBW-UHFFFAOYSA-N -1 0 455.883 4.824 20 5 JJBDRM O=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC001447259940 1066785336 /nfs/dbraw/zinc/78/53/36/1066785336.db2.gz FRKYCSNLBHHLNT-UHFFFAOYSA-N -1 0 452.854 4.521 20 5 JJBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1 ZINC001447271835 1066786767 /nfs/dbraw/zinc/78/67/67/1066786767.db2.gz XRYZSRMKXDXZDT-UHFFFAOYSA-N -1 0 457.368 4.548 20 5 JJBDRM O=C(Nc1cc([O-])c(Br)cc1Br)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001457786865 1066919858 /nfs/dbraw/zinc/91/98/58/1066919858.db2.gz MUODVBFQOHPYGW-UHFFFAOYSA-N -1 0 455.062 4.559 20 5 JJBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 ZINC001448725184 1066954325 /nfs/dbraw/zinc/95/43/25/1066954325.db2.gz ZBXRZJQZWBVMAU-UHFFFAOYSA-N -1 0 452.894 4.745 20 5 JJBDRM CCCC1CCC(N(C)C(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC001448925584 1066970522 /nfs/dbraw/zinc/97/05/22/1066970522.db2.gz ZBLZYCWTZQFKEQ-UHFFFAOYSA-N -1 0 459.568 4.827 20 5 JJBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)N1CC[C@@H](CC(C)(C)C)C1 ZINC001451598919 1067180426 /nfs/dbraw/zinc/18/04/26/1067180426.db2.gz WIJIJATZHZWSGN-KRWDZBQOSA-N -1 0 459.568 4.602 20 5 JJBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC[C@@H](CC(C)(C)C)C3)cc2)cc1[N+](=O)[O-] ZINC001451591649 1067180467 /nfs/dbraw/zinc/18/04/67/1067180467.db2.gz QLQVQCSQQXAUJW-KRWDZBQOSA-N -1 0 459.568 4.602 20 5 JJBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC[C@H](CC(C)(C)C)C3)cc2)cc1[N+](=O)[O-] ZINC001451591661 1067180479 /nfs/dbraw/zinc/18/04/79/1067180479.db2.gz QLQVQCSQQXAUJW-QGZVFWFLSA-N -1 0 459.568 4.602 20 5 JJBDRM COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001453400005 1067304469 /nfs/dbraw/zinc/30/44/69/1067304469.db2.gz OCBHTENPXJTUCP-AWEZNQCLSA-N -1 0 455.692 4.702 20 5 JJBDRM CCc1oc2ccccc2c1CN(C)C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001463773671 1068520589 /nfs/dbraw/zinc/52/05/89/1068520589.db2.gz FKBHVVGRZJUBTF-UHFFFAOYSA-N -1 0 454.870 4.720 20 5 JJBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N(C)CC2CCCCC2)c1 ZINC001464023052 1068591714 /nfs/dbraw/zinc/59/17/14/1068591714.db2.gz ZCSIZSIGVGPQDS-UHFFFAOYSA-N -1 0 459.568 4.665 20 5 JJBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C1(c2ccc(Br)cc2)CCCCC1 ZINC001464059723 1068602356 /nfs/dbraw/zinc/60/23/56/1068602356.db2.gz RIUJXPOJIYNOSQ-UHFFFAOYSA-N -1 0 457.321 4.634 20 5 JJBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@H]2CCCC[C@@H]2C)c1 ZINC001464645449 1068809956 /nfs/dbraw/zinc/80/99/56/1068809956.db2.gz OZSPAPAIWSBEIO-FUHWJXTLSA-N -1 0 459.568 4.569 20 5 JJBDRM O=C(Nc1cccc2c1CCCC2)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001440825814 1065981923 /nfs/dbraw/zinc/98/19/23/1065981923.db2.gz GGLULPDHRPQKQX-UHFFFAOYSA-N -1 0 451.504 4.527 20 5 JJBDRM COc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c2ccccc2)cc1Br ZINC001443409852 1066307269 /nfs/dbraw/zinc/30/72/69/1066307269.db2.gz BKRRKIKNVPJRGS-HXUWFJFHSA-N -1 0 457.280 4.591 20 5 JJBDRM Cc1ccc(C(=O)N[C@@H](CC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c2ccccc2)cc1 ZINC001446827932 1066746231 /nfs/dbraw/zinc/74/62/31/1066746231.db2.gz IWBKAHNVAOJZSY-SFHVURJKSA-N -1 0 453.882 4.762 20 5 JJBDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@@H]2CC[C@H](C)[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC001447499471 1066815978 /nfs/dbraw/zinc/81/59/78/1066815978.db2.gz XZPPRJQBDQHQJH-HDMKZQKVSA-N -1 0 459.568 4.567 20 5 JJBDRM COc1cc(CCNC(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])c([N+](=O)[O-])cc1OC ZINC001457470987 1066838534 /nfs/dbraw/zinc/83/85/34/1066838534.db2.gz OAXLCHYXSOHCPO-UHFFFAOYSA-N -1 0 456.882 4.611 20 5 JJBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001546011742 1066985503 /nfs/dbraw/zinc/98/55/03/1066985503.db2.gz QSIIWGZQVTWCBA-QHCPKHFHSA-N -1 0 451.910 4.501 20 5 JJBDRM Cc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c(O[C@@H](C)CC(C)C)c1 ZINC001463330921 1068358793 /nfs/dbraw/zinc/35/87/93/1068358793.db2.gz KWXJUWMZBDOLAS-AWEZNQCLSA-N -1 0 458.939 4.988 20 5 JJBDRM O=C(Nc1ccc(Nc2ccccc2)nc1)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001442552384 1066137400 /nfs/dbraw/zinc/13/74/00/1066137400.db2.gz DQPOZDNXBDIGIZ-UHFFFAOYSA-N -1 0 450.842 4.530 20 5 JJBDRM Cc1[nH]nc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1-c1ccc(Br)cc1 ZINC001457418995 1066827342 /nfs/dbraw/zinc/82/73/42/1066827342.db2.gz WWEPVLBNDZHYOP-UHFFFAOYSA-N -1 0 451.664 4.667 20 5 JJBDRM CC(C)(NC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])c1cccc(Cl)c1F ZINC001448133260 1066903976 /nfs/dbraw/zinc/90/39/76/1066903976.db2.gz ILYJBJVPARCLAW-UHFFFAOYSA-N -1 0 453.257 4.597 20 5 JJBDRM Cc1ccc([C@@H]2OCCC[C@H]2C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 ZINC001463184826 1068312914 /nfs/dbraw/zinc/31/29/14/1068312914.db2.gz JOMVOQLESSJFEJ-KSSFIOAISA-N -1 0 459.351 4.656 20 5 JJBDRM O=[N+]([O-])c1cc(S(=O)(=O)N[C@H](c2ccccc2)c2cc(Cl)ccc2Cl)ccc1[O-] ZINC001463383052 1068379087 /nfs/dbraw/zinc/37/90/87/1068379087.db2.gz SCQSOXKSYBLCGR-LJQANCHMSA-N -1 0 453.303 4.675 20 5 JJBDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N(C)CC2CCCCC2)cc([N+](=O)[O-])c1C ZINC001464021914 1068591621 /nfs/dbraw/zinc/59/16/21/1068591621.db2.gz QYFRYUANMYSZQW-UHFFFAOYSA-N -1 0 459.568 4.665 20 5 JJBDRM O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC001546146979 1068746711 /nfs/dbraw/zinc/74/67/11/1068746711.db2.gz GOYOENYGYWVIPA-CQSZACIVSA-N -1 0 458.877 4.689 20 5 JJBDRM CC(C)(C)c1ccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC001464506535 1068767954 /nfs/dbraw/zinc/76/79/54/1068767954.db2.gz KSOBOXJKFVIYKV-UHFFFAOYSA-N -1 0 453.520 4.945 20 5 JJBDRM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-][C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001436773397 1065439254 /nfs/dbraw/zinc/43/92/54/1065439254.db2.gz FOBBFOGJMFDJEO-CQSZACIVSA-N -1 0 456.726 4.908 20 5 JJBDRM CC1(c2ccccc2)CCC(NC(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2[O-])CC1 ZINC001446001159 1066643954 /nfs/dbraw/zinc/64/39/54/1066643954.db2.gz NZHGLRDXJMBBGR-UHFFFAOYSA-N -1 0 454.914 4.770 20 5 JJBDRM O=C(NCC1(c2cccc(Br)c2)CCCC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001446366476 1066696871 /nfs/dbraw/zinc/69/68/71/1066696871.db2.gz ULKKAISQONNIEI-UHFFFAOYSA-N -1 0 453.720 4.958 20 5 JJBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001446525926 1066715398 /nfs/dbraw/zinc/71/53/98/1066715398.db2.gz DQYYZXHQUGAZEG-QHCPKHFHSA-N -1 0 451.910 4.501 20 5 JJBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001446525916 1066715440 /nfs/dbraw/zinc/71/54/40/1066715440.db2.gz DQYYZXHQUGAZEG-HSZRJFAPSA-N -1 0 451.910 4.501 20 5 JJBDRM Cc1ccc(C(=O)N[C@H](CC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c2ccccc2)cc1 ZINC001446827681 1066745746 /nfs/dbraw/zinc/74/57/46/1066745746.db2.gz IWBKAHNVAOJZSY-GOSISDBHSA-N -1 0 453.882 4.762 20 5 JJBDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@H]2CCC[C@@H](C)CC2)cc([N+](=O)[O-])c1C ZINC001447854406 1066870264 /nfs/dbraw/zinc/87/02/64/1066870264.db2.gz UNHSNYGQZOWQSP-QAPCUYQASA-N -1 0 459.568 4.711 20 5 JJBDRM CCc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC001449152972 1066985448 /nfs/dbraw/zinc/98/54/48/1066985448.db2.gz QUZJSPDEXBCKLC-UHFFFAOYSA-N -1 0 459.911 4.864 20 5 JJBDRM O=C([N-][C@@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001458499619 1067075884 /nfs/dbraw/zinc/07/58/84/1067075884.db2.gz WDRNLEYMHWVYJP-HUUCEWRRSA-N -1 0 461.362 4.655 20 5 JJBDRM Cc1ccc([C@@H]2C[C@H]2NC(=O)c2ccccc2[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cc1 ZINC001452147283 1067209552 /nfs/dbraw/zinc/20/95/52/1067209552.db2.gz NTXTVAYJFAOZGM-RBBKRZOGSA-N -1 0 479.558 4.607 20 5 JJBDRM C[C@H]1CC[C@@](C)(CNC(=O)c2ccccc2[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC001453053884 1067275512 /nfs/dbraw/zinc/27/55/12/1067275512.db2.gz TZNYZCCARTZVOE-HJPURHCSSA-N -1 0 459.568 4.588 20 5 JJBDRM COc1cc(Br)ccc1[C@H]1CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001453400014 1067304650 /nfs/dbraw/zinc/30/46/50/1067304650.db2.gz OCBHTENPXJTUCP-CQSZACIVSA-N -1 0 455.692 4.702 20 5 JJBDRM CC[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccccc2)c[nH]1 ZINC001462983733 1068239382 /nfs/dbraw/zinc/23/93/82/1068239382.db2.gz OGVOGBWFXOOVGM-AWEZNQCLSA-N -1 0 455.323 4.721 20 5 JJBDRM COc1ccccc1-c1ccc(CN(C(C)C)S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC001463223182 1068325263 /nfs/dbraw/zinc/32/52/63/1068325263.db2.gz WSQZBXLDTRQGAT-UHFFFAOYSA-N -1 0 456.520 4.575 20 5 JJBDRM CCC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC001463916809 1068564956 /nfs/dbraw/zinc/56/49/56/1068564956.db2.gz GHYWHGHOUHXHQK-QFIPXVFZSA-N -1 0 453.520 4.667 20 5 JJBDRM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NC2(c3ccc(C(F)(F)F)cc3)CC2)c1Cl ZINC001463978422 1068580271 /nfs/dbraw/zinc/58/02/71/1068580271.db2.gz NZAPDOXPOQIORA-UHFFFAOYSA-N -1 0 455.241 4.888 20 5 JJBDRM COc1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1NC(=O)c1cccc(F)c1 ZINC001441508477 1066047471 /nfs/dbraw/zinc/04/74/71/1066047471.db2.gz KCHMVRKVAUVWSW-UHFFFAOYSA-N -1 0 459.817 4.606 20 5 JJBDRM C[C@@H](NC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001441756189 1066068091 /nfs/dbraw/zinc/06/80/91/1066068091.db2.gz PTPBYDPQVZPJQI-CQSZACIVSA-N -1 0 459.911 4.540 20 5 JJBDRM Cc1ccc([C@@H](C)NC(=O)c2ccccc2[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)s1 ZINC001442268371 1066111213 /nfs/dbraw/zinc/11/12/13/1066111213.db2.gz YSXKXHYPDJEYSZ-OAHLLOKOSA-N -1 0 459.549 4.565 20 5 JJBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cc(Br)ccc1Br ZINC001446827933 1066746085 /nfs/dbraw/zinc/74/60/85/1066746085.db2.gz IZLKAVIUTDXOGD-UHFFFAOYSA-N -1 0 450.470 4.731 20 5 JJBDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCC[C@@H](C(C)C)C2)cc([N+](=O)[O-])c1C ZINC001447837097 1066867062 /nfs/dbraw/zinc/86/70/62/1066867062.db2.gz MHHYPGMUKZBCDO-GOSISDBHSA-N -1 0 459.568 4.521 20 5 JJBDRM O=C(Nc1cc([O-])c(Br)cc1Br)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001457789456 1066920506 /nfs/dbraw/zinc/92/05/06/1066920506.db2.gz SXKGHPJRAQOFGA-UHFFFAOYSA-N -1 0 450.470 4.731 20 5 JJBDRM CC1(C)[C@@H](CNC(=O)c2ccccc2[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC001451107515 1067146545 /nfs/dbraw/zinc/14/65/45/1067146545.db2.gz RAINSTGAHJTIAX-GMAHTHKFSA-N -1 0 479.558 4.565 20 5 JJBDRM O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H](c2ccccc2)c2cc(Cl)ccc2Cl)ccc1[O-] ZINC001463383051 1068379221 /nfs/dbraw/zinc/37/92/21/1068379221.db2.gz SCQSOXKSYBLCGR-IBGZPJMESA-N -1 0 453.303 4.675 20 5 JJBDRM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c1[N+](=O)[O-] ZINC001463411515 1068388813 /nfs/dbraw/zinc/38/88/13/1068388813.db2.gz JGNKNTXYHUVBFC-HNNXBMFYSA-N -1 0 456.364 4.812 20 5 JJBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 ZINC001463632000 1068476390 /nfs/dbraw/zinc/47/63/90/1068476390.db2.gz IEUOJVNQFYQKGY-KRWDZBQOSA-N -1 0 453.520 4.503 20 5 JJBDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCC2CCCCC2)cc([N+](=O)[O-])c1C ZINC001464100630 1068615455 /nfs/dbraw/zinc/61/54/55/1068615455.db2.gz RHIIFGCHWGJSKD-UHFFFAOYSA-N -1 0 459.568 4.713 20 5 JJBDRM COc1ccc2ccccc2c1CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC001464471993 1068759627 /nfs/dbraw/zinc/75/96/27/1068759627.db2.gz AZFSMBLHOHLGFU-UHFFFAOYSA-N -1 0 455.319 4.584 20 5 JJBDRM O=C(Nc1cc(F)ccc1N1CCCCC1)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001464709766 1068834254 /nfs/dbraw/zinc/83/42/54/1068834254.db2.gz XPWLYMOEEVVAPQ-UHFFFAOYSA-N -1 0 459.865 4.521 20 5 JJBDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CCCCCCC2)cc([N+](=O)[O-])c1C ZINC001440468033 1065941959 /nfs/dbraw/zinc/94/19/59/1065941959.db2.gz DBVRFRXFQWRDMO-UHFFFAOYSA-N -1 0 459.568 4.855 20 5 JJBDRM Cc1ccc(C(=O)Nc2nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4[O-])cc3s2)s1 ZINC001442808941 1066225656 /nfs/dbraw/zinc/22/56/56/1066225656.db2.gz LOCOSLLFONXLGV-UHFFFAOYSA-N -1 0 454.489 4.785 20 5 JJBDRM C[C@@H](NC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001455644747 1066418156 /nfs/dbraw/zinc/41/81/56/1066418156.db2.gz IOYKDAAZMFZBDF-CQSZACIVSA-N -1 0 459.911 4.540 20 5 JJBDRM CN(Cc1cccc(Cl)c1Cl)C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001445719863 1066611159 /nfs/dbraw/zinc/61/11/59/1066611159.db2.gz MXVVQSIYTHVYHH-UHFFFAOYSA-N -1 0 455.685 4.719 20 5 JJBDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@H]2CCC[C@H](C)CC2)cc([N+](=O)[O-])c1C ZINC001447854415 1066870198 /nfs/dbraw/zinc/87/01/98/1066870198.db2.gz UNHSNYGQZOWQSP-YJBOKZPZSA-N -1 0 459.568 4.711 20 5 JJBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)N1CC[C@H](CC(C)(C)C)C1 ZINC001451598921 1067180477 /nfs/dbraw/zinc/18/04/77/1067180477.db2.gz WIJIJATZHZWSGN-QGZVFWFLSA-N -1 0 459.568 4.602 20 5 JJBDRM C[C@]1(Cc2ccc(F)cc2)CCCN1C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001451807267 1067192676 /nfs/dbraw/zinc/19/26/76/1067192676.db2.gz YWMWFZAWWSQMGG-JOCHJYFZSA-N -1 0 458.877 4.516 20 5 JJBDRM Cc1ccc([C@H]2OCCC[C@H]2C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 ZINC001463184811 1068313142 /nfs/dbraw/zinc/31/31/42/1068313142.db2.gz JOMVOQLESSJFEJ-KBXCAEBGSA-N -1 0 459.351 4.656 20 5 JJBDRM Cc1cccc(C)c1OC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(C)(C)C ZINC001463340308 1068362405 /nfs/dbraw/zinc/36/24/05/1068362405.db2.gz ADGDNXMRQQHONI-QGZVFWFLSA-N -1 0 458.939 4.776 20 5 JJBDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCC2=CCCCC2)cc([N+](=O)[O-])c1C ZINC001463842673 1068544691 /nfs/dbraw/zinc/54/46/91/1068544691.db2.gz GLEPHZOGAQSOEX-UHFFFAOYSA-N -1 0 457.552 4.633 20 5 JJBDRM CCC[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC001463916805 1068564929 /nfs/dbraw/zinc/56/49/29/1068564929.db2.gz GHYWHGHOUHXHQK-JOCHJYFZSA-N -1 0 453.520 4.667 20 5 JJBDRM O=C(NC[C@H](c1ccccc1)N1CCc2sccc2C1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001464198965 1068653598 /nfs/dbraw/zinc/65/35/98/1068653598.db2.gz DTWDGGUVQSWLSH-LJQANCHMSA-N -1 0 457.939 4.545 20 5 JJBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)NCC1CCCCCCC1 ZINC001464337873 1068711617 /nfs/dbraw/zinc/71/16/17/1068711617.db2.gz DUFSXCSPQBZYKQ-UHFFFAOYSA-N -1 0 459.568 4.794 20 5 JJBDRM CCCN(CC(C)C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC001440800275 1065979703 /nfs/dbraw/zinc/97/97/03/1065979703.db2.gz XCGQLRQRQZDMPL-UHFFFAOYSA-N -1 0 453.948 4.557 20 5 JJBDRM O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])N(CCc1ccccc1)C1CCCC1 ZINC001443154734 1066274665 /nfs/dbraw/zinc/27/46/65/1066274665.db2.gz CZCSYWHBXOCZAT-UHFFFAOYSA-N -1 0 454.914 4.767 20 5 JJBDRM C[C@@]1(C2CCCCC2)CCN1C(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001455116613 1066363732 /nfs/dbraw/zinc/36/37/32/1066363732.db2.gz OEUGLFYKQAQELM-QHCPKHFHSA-N -1 0 457.552 4.581 20 5 JJBDRM C[C@@](Cc1cccc(Br)c1)(NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1 ZINC001444706862 1066495213 /nfs/dbraw/zinc/49/52/13/1066495213.db2.gz MVTBNIDMACINNF-QFIPXVFZSA-N -1 0 455.308 4.951 20 5 JJBDRM C[C@](Cc1cccc(Br)c1)(NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1 ZINC001444706859 1066495228 /nfs/dbraw/zinc/49/52/28/1066495228.db2.gz MVTBNIDMACINNF-JOCHJYFZSA-N -1 0 455.308 4.951 20 5 JJBDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC001447499482 1066815866 /nfs/dbraw/zinc/81/58/66/1066815866.db2.gz XZPPRJQBDQHQJH-RLFYNMQTSA-N -1 0 459.568 4.567 20 5 JJBDRM CCCC[C@@H](C)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC001450771275 1067118316 /nfs/dbraw/zinc/11/83/16/1067118316.db2.gz KIIRRXSMUAJPCS-CQSZACIVSA-N -1 0 453.948 4.700 20 5 JJBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H](CCc2ccccc2)C(F)(F)F)c(Cl)cc1Cl ZINC001463413507 1068389559 /nfs/dbraw/zinc/38/95/59/1068389559.db2.gz RBGSZJZHFSCBGS-OAHLLOKOSA-N -1 0 457.257 4.744 20 5 JJBDRM Cc1ccc([C@@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)c2ccccn2)cc1 ZINC001463643645 1068479555 /nfs/dbraw/zinc/47/95/55/1068479555.db2.gz OZXBMBWFCXDRJB-GOSISDBHSA-N -1 0 452.319 4.673 20 5 JJBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(Cl)cc2)c1 ZINC001463664293 1068487771 /nfs/dbraw/zinc/48/77/71/1068487771.db2.gz DRXBQJMDOCKXBK-UHFFFAOYSA-N -1 0 459.911 4.918 20 5 JJBDRM COc1cc(CN(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])ccc1OCc1ccccc1 ZINC001464000396 1068585152 /nfs/dbraw/zinc/58/51/52/1068585152.db2.gz WOQGOWPTQJFLDX-UHFFFAOYSA-N -1 0 456.882 4.814 20 5 JJBDRM O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001464603228 1068796856 /nfs/dbraw/zinc/79/68/56/1068796856.db2.gz XIXYQWGTVYHHIM-HXUWFJFHSA-N -1 0 458.877 4.940 20 5 JJBDRM O=C(Nc1ccc2sccc2c1)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001440748602 1065975722 /nfs/dbraw/zinc/97/57/22/1065975722.db2.gz YOEFJCKQIJSEFH-UHFFFAOYSA-N -1 0 453.501 4.863 20 5 JJBDRM Cc1cc([C@@H](C)NC(=O)c2ccccc2[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC001441200471 1066015036 /nfs/dbraw/zinc/01/50/36/1066015036.db2.gz MZJLCRFTNOTQGX-CQSZACIVSA-N -1 0 459.549 4.565 20 5 JJBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cccc(F)c2C)c1 ZINC001444722921 1066497323 /nfs/dbraw/zinc/49/73/23/1066497323.db2.gz MTQLUEWVAHLOPD-UHFFFAOYSA-N -1 0 457.483 4.712 20 5 JJBDRM Cc1ccc(CNC(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2[O-])c(OC(C)(C)C)c1 ZINC001545705115 1066966433 /nfs/dbraw/zinc/96/64/33/1066966433.db2.gz RVKSNZVFRWSLPX-UHFFFAOYSA-N -1 0 458.902 4.555 20 5 JJBDRM CCc1ccc([C@H]2CCCN(C(=O)c3nn(-c4cc(Cl)ccc4[N+](=O)[O-])cc3[O-])C2)cc1 ZINC001449161318 1066986319 /nfs/dbraw/zinc/98/63/19/1066986319.db2.gz KMMLIHBOHFBSNS-KRWDZBQOSA-N -1 0 454.914 4.722 20 5 JJBDRM CC[C@@H](NC(=O)c1cc(Br)cc(Br)c1[O-])c1cccc([N+](=O)[O-])c1 ZINC001545841631 1067194529 /nfs/dbraw/zinc/19/45/29/1067194529.db2.gz QFKVDGQVKQGILN-CQSZACIVSA-N -1 0 458.106 4.707 20 5 JJBDRM Cc1ccc([C@H]2OCCC[C@@H]2C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 ZINC001463184836 1068313174 /nfs/dbraw/zinc/31/31/74/1068313174.db2.gz JOMVOQLESSJFEJ-RDTXWAMCSA-N -1 0 459.351 4.656 20 5 JJBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CCCCCCC2)c1 ZINC001463602837 1068461933 /nfs/dbraw/zinc/46/19/33/1068461933.db2.gz JSVRCHSIVLCMOW-UHFFFAOYSA-N -1 0 459.568 4.855 20 5 JJBDRM O=C(Nc1cccc(Oc2ccccn2)c1)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001444807544 1066506959 /nfs/dbraw/zinc/50/69/59/1066506959.db2.gz FQOPOXOVPDQHRV-UHFFFAOYSA-N -1 0 451.826 4.579 20 5 JJBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N2CC(C)(C)[C@H]2C(C)C)c1 ZINC001450461902 1067082919 /nfs/dbraw/zinc/08/29/19/1067082919.db2.gz CKUOYCSXDWVBJD-OAQYLSRUSA-N -1 0 459.568 4.519 20 5 JJBDRM O=C([N-]c1nnc(-c2ccc(Cl)cc2F)s1)c1c(Br)cccc1[N+](=O)[O-] ZINC001459833470 1067444793 /nfs/dbraw/zinc/44/47/93/1067444793.db2.gz NTIGFTGQJDLHDU-UHFFFAOYSA-N -1 0 457.668 4.921 20 5 JJBDRM Cc1cccc(C)c1OC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(C)(C)C ZINC001463340304 1068362329 /nfs/dbraw/zinc/36/23/29/1068362329.db2.gz ADGDNXMRQQHONI-KRWDZBQOSA-N -1 0 458.939 4.776 20 5 JJBDRM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1cc(Cl)ccc1OC(F)F ZINC001463454938 1068404404 /nfs/dbraw/zinc/40/44/04/1068404404.db2.gz UGJQWXKXPLXDBR-ZETCQYMHSA-N -1 0 459.229 4.682 20 5 JJBDRM O=C(Nc1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001464222659 1068664288 /nfs/dbraw/zinc/66/42/88/1068664288.db2.gz CAHNXGUZDGTEOZ-UHFFFAOYSA-N -1 0 455.876 4.502 20 5 JJBDRM O=C(Nc1ccccc1F)Nc1cccc2c1CCCN2C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001444066106 1066399050 /nfs/dbraw/zinc/39/90/50/1066399050.db2.gz OHHVZFDIBUWJDO-UHFFFAOYSA-N -1 0 450.426 4.677 20 5 JJBDRM CC(C)Sc1ccc(Cl)cc1[N-]C(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 ZINC001456174954 1066528921 /nfs/dbraw/zinc/52/89/21/1066528921.db2.gz BIDIAXWMBMWKGK-UHFFFAOYSA-N -1 0 453.860 4.680 20 5 JJBDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCC[C@H](C(C)C)C2)cc([N+](=O)[O-])c1C ZINC001447837114 1066866971 /nfs/dbraw/zinc/86/69/71/1066866971.db2.gz MHHYPGMUKZBCDO-SFHVURJKSA-N -1 0 459.568 4.521 20 5 JJBDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@@H]2CCC[C@@H](C)CC2)cc([N+](=O)[O-])c1C ZINC001447854386 1066870179 /nfs/dbraw/zinc/87/01/79/1066870179.db2.gz UNHSNYGQZOWQSP-CRAIPNDOSA-N -1 0 459.568 4.711 20 5 JJBDRM CC(C)(C)OC(=O)NCc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc(C(F)(F)F)c1 ZINC001448552301 1066938767 /nfs/dbraw/zinc/93/87/67/1066938767.db2.gz TVWQWDAKUOJPPK-UHFFFAOYSA-N -1 0 455.389 4.596 20 5 JJBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001546011741 1066985559 /nfs/dbraw/zinc/98/55/59/1066985559.db2.gz QSIIWGZQVTWCBA-HSZRJFAPSA-N -1 0 451.910 4.501 20 5 JJBDRM COc1cc(OC)cc(Oc2cccc(CNC(=O)c3cc(Cl)cc([N+](=O)[O-])c3[O-])c2)c1 ZINC001449265602 1066994215 /nfs/dbraw/zinc/99/42/15/1066994215.db2.gz OTWVNYMOHDGPLJ-UHFFFAOYSA-N -1 0 458.854 4.693 20 5 JJBDRM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c(Cl)c1C ZINC001452206702 1067214320 /nfs/dbraw/zinc/21/43/20/1067214320.db2.gz UMMPKYVCEWMIPE-UHFFFAOYSA-N -1 0 459.911 4.918 20 5 JJBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H](CCc2ccccc2)C(F)(F)F)c(Cl)cc1Cl ZINC001463413504 1068389765 /nfs/dbraw/zinc/38/97/65/1068389765.db2.gz RBGSZJZHFSCBGS-HNNXBMFYSA-N -1 0 457.257 4.744 20 5 JJBDRM O=C(NCC1(c2ccc(F)cc2)CCCC1)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001464214431 1068660505 /nfs/dbraw/zinc/66/05/05/1068660505.db2.gz KNHODOXFIOJGID-UHFFFAOYSA-N -1 0 458.877 4.520 20 5 JJBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@@H]2CCCC[C@@H]2C)c1 ZINC001464645455 1068809920 /nfs/dbraw/zinc/80/99/20/1068809920.db2.gz OZSPAPAIWSBEIO-WMZOPIPTSA-N -1 0 459.568 4.569 20 5 JJBDRM O=C([N-]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(F)(F)c1ccccc1Br ZINC001436114906 1065189558 /nfs/dbraw/zinc/18/95/58/1065189558.db2.gz GTWBMWFPACYEQA-UHFFFAOYSA-N -1 0 453.161 4.784 20 5 JJBDRM CCOC(=O)c1nc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)[n-]c1Cl ZINC001439503820 1065836185 /nfs/dbraw/zinc/83/61/85/1065836185.db2.gz ZZGHRQGUCAACGO-UHFFFAOYSA-N -1 0 452.920 4.683 20 5 JJBDRM COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC001443288685 1066289703 /nfs/dbraw/zinc/28/97/03/1066289703.db2.gz YYERWBMQAJCHOC-UHFFFAOYSA-N -1 0 456.882 4.814 20 5 JJBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)N1CCC(CC(C)C)CC1 ZINC001445443880 1066572570 /nfs/dbraw/zinc/57/25/70/1066572570.db2.gz DQZNUWBWJVSRLI-UHFFFAOYSA-N -1 0 459.568 4.602 20 5 JJBDRM O=C(Nc1ccc(Cl)c(OC(F)F)c1)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001446689292 1066731386 /nfs/dbraw/zinc/73/13/86/1066731386.db2.gz CVQOAASTCLWEBI-UHFFFAOYSA-N -1 0 459.192 4.647 20 5 JJBDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@@H]2CCC[C@H](C)CC2)cc([N+](=O)[O-])c1C ZINC001447854396 1066870244 /nfs/dbraw/zinc/87/02/44/1066870244.db2.gz UNHSNYGQZOWQSP-MAUKXSAKSA-N -1 0 459.568 4.711 20 5 JJBDRM CCc1ccc(C(=O)Nc2cc(S(=O)(=O)[N-]c3ccccc3)c(F)cc2C)cc1[N+](=O)[O-] ZINC001448623399 1066944839 /nfs/dbraw/zinc/94/48/39/1066944839.db2.gz RBUFZCBVGZDCAC-UHFFFAOYSA-N -1 0 457.483 4.658 20 5 JJBDRM CCc1ccc([C@@H]2CCCN(C(=O)c3nn(-c4cc(Cl)ccc4[N+](=O)[O-])cc3[O-])C2)cc1 ZINC001449161322 1066986336 /nfs/dbraw/zinc/98/63/36/1066986336.db2.gz KMMLIHBOHFBSNS-QGZVFWFLSA-N -1 0 454.914 4.722 20 5 JJBDRM COc1cc(OC)cc(Oc2ccc(CNC(=O)c3cc(Cl)cc([N+](=O)[O-])c3[O-])cc2)c1 ZINC001449418552 1067008954 /nfs/dbraw/zinc/00/89/54/1067008954.db2.gz ADLLQHIHTPBYAA-UHFFFAOYSA-N -1 0 458.854 4.693 20 5 JJBDRM CCCC[C@H](C)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC001450771274 1067118364 /nfs/dbraw/zinc/11/83/64/1067118364.db2.gz KIIRRXSMUAJPCS-AWEZNQCLSA-N -1 0 453.948 4.700 20 5 JJBDRM COc1ccc2ccccc2c1CN(C1CCCC1)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC001463019237 1068253855 /nfs/dbraw/zinc/25/38/55/1068253855.db2.gz FDMVQOQKJYPPIA-UHFFFAOYSA-N -1 0 456.520 4.596 20 5 JJBDRM C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC001463042122 1068261646 /nfs/dbraw/zinc/26/16/46/1068261646.db2.gz PGOWONWNJCIYDS-VIFPVBQESA-N -1 0 457.257 4.830 20 5 JJBDRM COc1cccc(C2(C[N-]S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CCCC2)c1 ZINC001463069918 1068276056 /nfs/dbraw/zinc/27/60/56/1068276056.db2.gz XAOOSGXESJBNIY-UHFFFAOYSA-N -1 0 459.351 4.701 20 5 JJBDRM Cc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c(O[C@H](C)CC(C)C)c1 ZINC001463330923 1068358591 /nfs/dbraw/zinc/35/85/91/1068358591.db2.gz KWXJUWMZBDOLAS-CQSZACIVSA-N -1 0 458.939 4.988 20 5 JJBDRM Cc1ccc([C@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)c2ccccn2)cc1 ZINC001463643650 1068479433 /nfs/dbraw/zinc/47/94/33/1068479433.db2.gz OZXBMBWFCXDRJB-SFHVURJKSA-N -1 0 452.319 4.673 20 5 JJBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(C)c(F)c2)c1 ZINC001440478475 1065942904 /nfs/dbraw/zinc/94/29/04/1065942904.db2.gz MTVZRTCDXHVZIU-UHFFFAOYSA-N -1 0 457.483 4.712 20 5 JJBDRM C[C@H](NC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001441756173 1066068075 /nfs/dbraw/zinc/06/80/75/1066068075.db2.gz PTPBYDPQVZPJQI-AWEZNQCLSA-N -1 0 459.911 4.540 20 5 JJBDRM C[C@]1(C2CCCCC2)CCN1C(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001455116606 1066363675 /nfs/dbraw/zinc/36/36/75/1066363675.db2.gz OEUGLFYKQAQELM-HSZRJFAPSA-N -1 0 457.552 4.581 20 5 JJBDRM C[C@H](NC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001455446489 1066391147 /nfs/dbraw/zinc/39/11/47/1066391147.db2.gz XVYMVQQVSWVXNR-AWEZNQCLSA-N -1 0 459.911 4.540 20 5 JJBDRM O=C(Nc1ccccc1F)Nc1cccc2c1CCCN2C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001444060416 1066398182 /nfs/dbraw/zinc/39/81/82/1066398182.db2.gz BIVIQXGPWKJICD-UHFFFAOYSA-N -1 0 450.426 4.677 20 5 JJBDRM Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC001446831191 1066746258 /nfs/dbraw/zinc/74/62/58/1066746258.db2.gz WNEMCZLLTNJQOG-UHFFFAOYSA-N -1 0 451.870 4.616 20 5 JJBDRM O=C(Nc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1Br ZINC001447271036 1066786708 /nfs/dbraw/zinc/78/67/08/1066786708.db2.gz WZLOPPFWCIEJFH-UHFFFAOYSA-N -1 0 456.252 4.568 20 5 JJBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N2CC(C)(C)[C@@H]2C(C)C)c1 ZINC001450461895 1067082801 /nfs/dbraw/zinc/08/28/01/1067082801.db2.gz CKUOYCSXDWVBJD-NRFANRHFSA-N -1 0 459.568 4.519 20 5 JJBDRM CSc1cc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1C ZINC001452745591 1067248088 /nfs/dbraw/zinc/24/80/88/1067248088.db2.gz PIEKMFOSDHRWBN-UHFFFAOYSA-N -1 0 457.533 4.678 20 5 JJBDRM O=C([N-]c1nnc(-c2c(F)cccc2Cl)s1)c1c(Br)cccc1[N+](=O)[O-] ZINC001459119638 1067255152 /nfs/dbraw/zinc/25/51/52/1067255152.db2.gz RTSBMNSQYQTDIQ-UHFFFAOYSA-N -1 0 457.668 4.921 20 5 JJBDRM C[C@H](Cc1ccc(C(F)(F)F)cc1)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC001463042121 1068261948 /nfs/dbraw/zinc/26/19/48/1068261948.db2.gz PGOWONWNJCIYDS-SECBINFHSA-N -1 0 457.257 4.830 20 5 JJBDRM O=C(NC[C@@H](c1ccccc1)N1CCc2sccc2C1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001464198956 1068652841 /nfs/dbraw/zinc/65/28/41/1068652841.db2.gz DTWDGGUVQSWLSH-IBGZPJMESA-N -1 0 457.939 4.545 20 5 JJBDRM O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001464603221 1068797076 /nfs/dbraw/zinc/79/70/76/1068797076.db2.gz XIXYQWGTVYHHIM-FQEVSTJZSA-N -1 0 458.877 4.940 20 5 JJBDRM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-][C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001436773395 1065439168 /nfs/dbraw/zinc/43/91/68/1065439168.db2.gz FOBBFOGJMFDJEO-AWEZNQCLSA-N -1 0 456.726 4.908 20 5 JJBDRM Cc1ccc(C)c(NC(=O)c2ccccc2[N-]S(=O)(=O)c2cc(C)c(C)c([N+](=O)[O-])c2)c1 ZINC001440521787 1065947375 /nfs/dbraw/zinc/94/73/75/1065947375.db2.gz YTKGLCWPOYZBRO-UHFFFAOYSA-N -1 0 453.520 4.882 20 5 JJBDRM O=C(N[C@@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1)c1cccc([N+](=O)[O-])c1[O-] ZINC001440954833 1065996843 /nfs/dbraw/zinc/99/68/43/1065996843.db2.gz MDIQASYIQRIMHC-SFHVURJKSA-N -1 0 456.380 4.715 20 5 JJBDRM CCN(C(=O)Cc1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1)c1ccccc1 ZINC001441836341 1066074805 /nfs/dbraw/zinc/07/48/05/1066074805.db2.gz CLQUKBFMQHIIBW-UHFFFAOYSA-N -1 0 453.882 4.802 20 5 JJBDRM COc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c2ccccc2)cc1Br ZINC001443409851 1066307300 /nfs/dbraw/zinc/30/73/00/1066307300.db2.gz BKRRKIKNVPJRGS-FQEVSTJZSA-N -1 0 457.280 4.591 20 5 JJBDRM O=C(NCc1cc(Cl)cc(Cl)c1F)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001454793005 1066334080 /nfs/dbraw/zinc/33/40/80/1066334080.db2.gz UGVDJBFIQAZPLN-UHFFFAOYSA-N -1 0 459.648 4.515 20 5 JJBDRM C[C@H](NC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])c1ccccc1C(F)(F)F ZINC001444901361 1066517473 /nfs/dbraw/zinc/51/74/73/1066517473.db2.gz DUOVHNKBUVLNHQ-JTQLQIEISA-N -1 0 454.792 4.649 20 5 JJBDRM O=C([N-]N1CCc2ccccc2C1=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC001446683719 1066730810 /nfs/dbraw/zinc/73/08/10/1066730810.db2.gz VIXIXGJZIYBPRE-UHFFFAOYSA-N -1 0 453.907 4.743 20 5 JJBDRM CC(C)(C)OC(=O)N1CCc2sc(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])cc2C1 ZINC001446825607 1066745657 /nfs/dbraw/zinc/74/56/57/1066745657.db2.gz AXTVCWKVPTXDNK-UHFFFAOYSA-N -1 0 453.904 4.561 20 5 JJBDRM Cc1onc(-c2cccc(Br)c2)c1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001446830506 1066746239 /nfs/dbraw/zinc/74/62/39/1066746239.db2.gz UJKANIRKBBDHEO-UHFFFAOYSA-N -1 0 452.648 4.932 20 5 JJBDRM C[C@H](NC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])c1cc(Cl)ccc1Cl ZINC001448056423 1066894518 /nfs/dbraw/zinc/89/45/18/1066894518.db2.gz HOGBIIXDSVTNCV-VIFPVBQESA-N -1 0 455.685 4.937 20 5 JJBDRM C[C@@H](NC(=O)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC001457991131 1066953683 /nfs/dbraw/zinc/95/36/83/1066953683.db2.gz FOBYYGCRCCPSAL-SECBINFHSA-N -1 0 455.685 4.937 20 5 JJBDRM C[C@@]1(Cc2ccc(F)cc2)CCCN1C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001451807307 1067192553 /nfs/dbraw/zinc/19/25/53/1067192553.db2.gz YWMWFZAWWSQMGG-QFIPXVFZSA-N -1 0 458.877 4.516 20 5 JJBDRM CC(C)N(Cc1ccc(-c2ccccc2F)s1)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC001462908937 1068211756 /nfs/dbraw/zinc/21/17/56/1068211756.db2.gz OKRJFMMEKFBQMG-UHFFFAOYSA-N -1 0 450.513 4.767 20 5 JJBDRM Cc1ccc([C@@H]2OCCC[C@@H]2C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 ZINC001463184817 1068312702 /nfs/dbraw/zinc/31/27/02/1068312702.db2.gz JOMVOQLESSJFEJ-KDOFPFPSSA-N -1 0 459.351 4.656 20 5 JJBDRM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c1[N+](=O)[O-] ZINC001463411521 1068388527 /nfs/dbraw/zinc/38/85/27/1068388527.db2.gz JGNKNTXYHUVBFC-OAHLLOKOSA-N -1 0 456.364 4.812 20 5 JJBDRM O=C(NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001546143828 1068598002 /nfs/dbraw/zinc/59/80/02/1068598002.db2.gz WNDHGQPGHFZORM-UHFFFAOYSA-N -1 0 458.729 4.655 20 5 JJBDRM O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)c1s[n-]c(=O)c1Cl ZINC001444383111 1066456744 /nfs/dbraw/zinc/45/67/44/1066456744.db2.gz HMXGIPOYTARCDE-UHFFFAOYSA-N -1 0 458.254 4.925 20 5 JJBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1nn(-c2cccc(Cl)c2F)c2c1CCC2 ZINC001446831495 1066746119 /nfs/dbraw/zinc/74/61/19/1066746119.db2.gz YDYFXYLWQKGUDV-UHFFFAOYSA-N -1 0 451.241 4.673 20 5 JJBDRM O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNc1cccc(S(=O)(=O)[N-]c2nccs2)c1 ZINC001462212072 1068029793 /nfs/dbraw/zinc/02/97/93/1068029793.db2.gz QKFUTWOFOMIDQN-UHFFFAOYSA-N -1 0 459.336 4.771 20 5 JJBDRM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccccc2)c[nH]1 ZINC001462983739 1068239422 /nfs/dbraw/zinc/23/94/22/1068239422.db2.gz OGVOGBWFXOOVGM-CQSZACIVSA-N -1 0 455.323 4.721 20 5 JJBDRM Cc1ccc(Oc2ccccc2C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])cc1 ZINC001463049227 1068265722 /nfs/dbraw/zinc/26/57/22/1068265722.db2.gz SJSAVNXHNBNDEM-UHFFFAOYSA-N -1 0 450.875 4.967 20 5 JJBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 ZINC001463632005 1068476330 /nfs/dbraw/zinc/47/63/30/1068476330.db2.gz IEUOJVNQFYQKGY-QGZVFWFLSA-N -1 0 453.520 4.503 20 5 JJBDRM O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC001546146978 1068746620 /nfs/dbraw/zinc/74/66/20/1068746620.db2.gz GOYOENYGYWVIPA-AWEZNQCLSA-N -1 0 458.877 4.689 20 5 JJBDRM