smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c(=O)/c(=C/c3ccc([N+](=O)[O-])o3)sc2=N1 ZINC000000680779 551524306 /nfs/dbraw/zinc/52/43/06/551524306.db2.gz WPEFWBNGSJTUME-DUBROFONSA-N 0 0 520.954 4.029 50 5 KIBARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2c(=O)/c(=C/c3ccc([N+](=O)[O-])o3)sc2=N1 ZINC000000680781 551524271 /nfs/dbraw/zinc/52/42/71/551524271.db2.gz WPEFWBNGSJTUME-QUYTYNJFSA-N 0 0 520.954 4.029 50 5 KIBARN O=C(Cn1c(=O)c2nnc(-c3ccccc3)n2c2cc([N+](=O)[O-])ccc21)c1ccc(Br)cc1 ZINC000000688107 551526331 /nfs/dbraw/zinc/52/63/31/551526331.db2.gz GFWRRULYPYFGFN-UHFFFAOYSA-N 0 0 504.300 4.265 50 5 KIBARN Cc1ccsc1CN(Cc1ccc(F)cc1)C(=O)CN(CCN1CCOCC1)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000000696215 551528037 /nfs/dbraw/zinc/52/80/37/551528037.db2.gz LWXLVZCEQHBGFM-UHFFFAOYSA-N 0 0 568.671 4.416 50 5 KIBARN O=c1/c(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc2nc3cc(Br)cnc3n12 ZINC000000709313 551532647 /nfs/dbraw/zinc/53/26/47/551532647.db2.gz YWKVKQOOUCFVKC-APSNUPSMSA-N 0 0 503.721 4.436 50 5 KIBARN O=C(Oc1c(Br)cc(C(=S)N2CCOCC2)cc1Br)c1cccc([N+](=O)[O-])c1 ZINC000000714478 551533934 /nfs/dbraw/zinc/53/39/34/551533934.db2.gz OHUSGGLSTLNXLK-UHFFFAOYSA-N 0 0 530.194 4.347 50 5 KIBARN Cc1cccc(C)c1NC(=O)C1(N(Cc2ccco2)C(=O)Cn2cccc([N+](=O)[O-])c2=O)CCCCC1 ZINC000000718852 551535577 /nfs/dbraw/zinc/53/55/77/551535577.db2.gz YILNFYHBCCOOSM-UHFFFAOYSA-N 0 0 506.559 4.337 50 5 KIBARN CCOc1cc(/C=C2\N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)cc(I)c1OC(C)=O ZINC000000725083 551537947 /nfs/dbraw/zinc/53/79/47/551537947.db2.gz YZWSVXUTBXAWOO-PXNMLYILSA-N 0 0 536.278 4.176 50 5 KIBARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O)c1ccc(Br)cc1 ZINC000000725801 551537989 /nfs/dbraw/zinc/53/79/89/551537989.db2.gz XSFWAZDPUKBAEM-UHFFFAOYSA-N 0 0 509.268 4.198 50 5 KIBARN O=C(Nc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000000797214 551542931 /nfs/dbraw/zinc/54/29/31/551542931.db2.gz YIMHAZBFFVKZBW-UHFFFAOYSA-N 0 0 508.556 4.274 50 5 KIBARN O=C(Nc1ccc(Br)cc1F)[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O ZINC000000828599 551545833 /nfs/dbraw/zinc/54/58/33/551545833.db2.gz XQXWZFFQIWWMER-FQEVSTJZSA-N 0 0 512.291 4.342 50 5 KIBARN O=C(Nc1ccc(Br)cc1F)[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O ZINC000000828600 551545762 /nfs/dbraw/zinc/54/57/62/551545762.db2.gz XQXWZFFQIWWMER-HXUWFJFHSA-N 0 0 512.291 4.342 50 5 KIBARN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(I)cc1 ZINC000000835156 551546620 /nfs/dbraw/zinc/54/66/20/551546620.db2.gz PLVUTWPUIIMKIH-UHFFFAOYSA-N 0 0 537.335 4.033 50 5 KIBARN COc1ccc(C(=O)N[C@H](NC(=S)Nc2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)cc1OC ZINC000000836983 551547080 /nfs/dbraw/zinc/54/70/80/551547080.db2.gz NMCVFGSDEIITBW-MRXNPFEDSA-N 0 0 507.783 4.025 50 5 KIBARN COc1ccc(C(=O)N[C@@H](NC(=S)Nc2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)cc1OC ZINC000000836985 551547066 /nfs/dbraw/zinc/54/70/66/551547066.db2.gz NMCVFGSDEIITBW-INIZCTEOSA-N 0 0 507.783 4.025 50 5 KIBARN COc1ccc(N(CC(=O)NCc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000000853206 551550225 /nfs/dbraw/zinc/55/02/25/551550225.db2.gz IFWOKSCCTNUIAS-UHFFFAOYSA-N 0 0 554.408 4.431 50 5 KIBARN O=C(Oc1c(Br)cc(C(=S)N2CCOCC2)cc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000000866269 551552728 /nfs/dbraw/zinc/55/27/28/551552728.db2.gz YFDDYAOBHTWWPV-UHFFFAOYSA-N 0 0 530.194 4.347 50 5 KIBARN Cc1c(NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(=O)c2ccc(C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000000975481 551591003 /nfs/dbraw/zinc/59/10/03/551591003.db2.gz ANDAUUPUJPYWPF-JJIBRWJFSA-N 0 0 511.538 4.111 50 5 KIBARN O=C(CN1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000990360 551593631 /nfs/dbraw/zinc/59/36/31/551593631.db2.gz WACMGBHURZBOAM-UHFFFAOYSA-N 0 0 506.081 4.231 50 5 KIBARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Br)cc1)C2=O)c1cccc([N+](=O)[O-])c1 ZINC000000990362 551593641 /nfs/dbraw/zinc/59/36/41/551593641.db2.gz BBWBCXUDZOKZKO-UHFFFAOYSA-N 0 0 509.268 4.198 50 5 KIBARN O=C(CN1C(=O)c2ccc(Br)cc2C1=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000000991234 551594155 /nfs/dbraw/zinc/59/41/55/551594155.db2.gz ZUPVMRSTIYXOQH-UHFFFAOYSA-N 0 0 539.294 4.172 50 5 KIBARN COc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)cc1[N+](=O)[O-] ZINC000001062934 551601183 /nfs/dbraw/zinc/60/11/83/551601183.db2.gz UCZJTPRXIWTSRI-XMMPIXPASA-N 0 0 511.328 4.373 50 5 KIBARN COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)cc1[N+](=O)[O-] ZINC000001062936 551601223 /nfs/dbraw/zinc/60/12/23/551601223.db2.gz UCZJTPRXIWTSRI-DEOSSOPVSA-N 0 0 511.328 4.373 50 5 KIBARN O=C(c1cc(-c2ccccn2)nc2ccc(Cl)cc21)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000001068424 551602186 /nfs/dbraw/zinc/60/21/86/551602186.db2.gz OTKPVBUJUFOHSU-UHFFFAOYSA-N 0 0 537.985 4.005 50 5 KIBARN COc1cc([N+](=O)[O-])cc2cc(C(=O)NCCc3c(C)[nH]c4ccc(Br)cc43)c(=O)oc21 ZINC000001073089 551603210 /nfs/dbraw/zinc/60/32/10/551603210.db2.gz SQAUHOIXXCEGCZ-UHFFFAOYSA-N 0 0 500.305 4.235 50 5 KIBARN COc1cc([N+](=O)[O-])cc2cc(C(=O)NCCc3c(C)[nH]c4ccc(OC(F)(F)F)cc43)c(=O)oc21 ZINC000001073246 551603287 /nfs/dbraw/zinc/60/32/87/551603287.db2.gz YVDHIHXYAQWYTF-UHFFFAOYSA-N 0 0 505.405 4.371 50 5 KIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 ZINC000001111785 551611575 /nfs/dbraw/zinc/61/15/75/551611575.db2.gz UVIAAUKAZOJQFT-UHFFFAOYSA-N 0 0 567.361 4.042 50 5 KIBARN COc1ccc(C(=O)NC(=S)Nc2ccc(I)cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000001116178 551611921 /nfs/dbraw/zinc/61/19/21/551611921.db2.gz DWNBOOAEPWAWNW-UHFFFAOYSA-N 0 0 525.246 4.354 50 5 KIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 ZINC000001120261 551613011 /nfs/dbraw/zinc/61/30/11/551613011.db2.gz YMURIUSXSXGGCF-UHFFFAOYSA-N 0 0 504.362 4.500 50 5 KIBARN Cc1cc(I)ccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000001127208 551614484 /nfs/dbraw/zinc/61/44/84/551614484.db2.gz FBCRCJPZIYQAME-UHFFFAOYSA-N 0 0 551.362 4.342 50 5 KIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000001139616 551616581 /nfs/dbraw/zinc/61/65/81/551616581.db2.gz FEFBHQFJUPVSKX-UHFFFAOYSA-N 0 0 519.963 4.408 50 5 KIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 ZINC000001139855 551616537 /nfs/dbraw/zinc/61/65/37/551616537.db2.gz GLWQZIMYHDBENN-UHFFFAOYSA-N 0 0 520.361 4.200 50 5 KIBARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c2ccc(Cl)cc2)cc1 ZINC000001139884 551616921 /nfs/dbraw/zinc/61/69/21/551616921.db2.gz UPFCTPSVVZVVPU-UHFFFAOYSA-N 0 0 505.936 4.099 50 5 KIBARN COc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000001143986 551617969 /nfs/dbraw/zinc/61/79/69/551617969.db2.gz GYXYXXLHGSZHBI-UHFFFAOYSA-N 0 0 519.963 4.408 50 5 KIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000001148475 551618825 /nfs/dbraw/zinc/61/88/25/551618825.db2.gz CKQUZKYKTFOIGJ-UHFFFAOYSA-N 0 0 529.571 4.071 50 5 KIBARN COc1cc(C(=S)N2CCOCC2)cc(I)c1OC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000001156837 551619797 /nfs/dbraw/zinc/61/97/97/551619797.db2.gz WYXJOIALXFIIBY-UHFFFAOYSA-N 0 0 562.769 4.088 50 5 KIBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Br)c(S(=O)(=O)NCCc2ccccc2)c1 ZINC000001162341 551619839 /nfs/dbraw/zinc/61/98/39/551619839.db2.gz NJPRMFBSSBQXGE-UHFFFAOYSA-N 0 0 504.362 4.131 50 5 KIBARN CCOc1ccc(C(=O)NC(=S)Nc2ccc(I)cc2Cl)cc1[N+](=O)[O-] ZINC000001173037 551620446 /nfs/dbraw/zinc/62/04/46/551620446.db2.gz PADQCIBRAOQZRG-UHFFFAOYSA-N 0 0 505.721 4.378 50 5 KIBARN CCOc1ccc(-c2nn(-c3ccccc3)cc2C2C(C(=O)OC)=C(C)NC(C)=C2C(=O)OC)cc1[N+](=O)[O-] ZINC000001182223 551621106 /nfs/dbraw/zinc/62/11/06/551621106.db2.gz WVJNZZOFHBOTOC-UHFFFAOYSA-N 0 0 532.553 4.427 50 5 KIBARN COc1cc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc(I)c1OC ZINC000001193039 551622122 /nfs/dbraw/zinc/62/21/22/551622122.db2.gz RZTIFXWMMOWFSZ-MLPAPPSSSA-N 0 0 514.659 4.215 50 5 KIBARN COc1cc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc(I)c1OC ZINC000001193340 551622110 /nfs/dbraw/zinc/62/21/10/551622110.db2.gz MRWVXXATQJTPMB-NSIKDUERSA-N 0 0 514.659 4.215 50 5 KIBARN COc1ccc(N(CC(=O)Nc2ccccc2Cl)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000001194215 551622446 /nfs/dbraw/zinc/62/24/46/551622446.db2.gz OEUSCNOATSQSSM-UHFFFAOYSA-N 0 0 505.936 4.099 50 5 KIBARN COc1ccc(N(CC(=O)Nc2cc(Cl)ccc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000001199189 551623027 /nfs/dbraw/zinc/62/30/27/551623027.db2.gz IBQHCDHGVPRPKU-UHFFFAOYSA-N 0 0 535.962 4.108 50 5 KIBARN O=C1c2ccc(-c3nc4ccc(I)cc4c(=O)o3)cc2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000001207643 551624831 /nfs/dbraw/zinc/62/48/31/551624831.db2.gz UDVLORPBHBMRIA-UHFFFAOYSA-N 0 0 539.241 4.168 50 5 KIBARN COc1ccc(C(=O)NC(=Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000001212692 551625370 /nfs/dbraw/zinc/62/53/70/551625370.db2.gz DRSMPKSBQHFGTC-XKZIYDEJSA-N 0 0 519.510 4.233 50 5 KIBARN Cc1nn(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c(C)c1Sc1ccccc1[N+](=O)[O-] ZINC000001213750 551625609 /nfs/dbraw/zinc/62/56/09/551625609.db2.gz KLSCXWKVASFPCE-FQEVSTJZSA-N 0 0 500.602 4.361 50 5 KIBARN Cc1nn(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c(C)c1Sc1ccccc1[N+](=O)[O-] ZINC000001213755 551625656 /nfs/dbraw/zinc/62/56/56/551625656.db2.gz KLSCXWKVASFPCE-HXUWFJFHSA-N 0 0 500.602 4.361 50 5 KIBARN Cc1nn(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c(C)c1Sc1ccc([N+](=O)[O-])cc1 ZINC000001213829 551625612 /nfs/dbraw/zinc/62/56/12/551625612.db2.gz HURFIPPPBXEAQK-NRFANRHFSA-N 0 0 500.602 4.361 50 5 KIBARN Cc1nn(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c(C)c1Sc1ccc([N+](=O)[O-])cc1 ZINC000001213831 551625636 /nfs/dbraw/zinc/62/56/36/551625636.db2.gz HURFIPPPBXEAQK-OAQYLSRUSA-N 0 0 500.602 4.361 50 5 KIBARN COc1ccc(N(CC(=O)Nc2ccccc2Br)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000001219301 551627419 /nfs/dbraw/zinc/62/74/19/551627419.db2.gz SRBFOMAVJAQVAZ-UHFFFAOYSA-N 0 0 550.387 4.209 50 5 KIBARN COc1ccc(CCn2c(=N)c(C(=O)NCc3ccccc3Cl)cc3c2nc2c(C)cccn2c3=O)cc1OC ZINC000001274938 551635395 /nfs/dbraw/zinc/63/53/95/551635395.db2.gz PRDDHUCTDAMCPH-UHFFFAOYSA-N 0 0 558.038 4.280 50 5 KIBARN O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@@H]2C=C(Cc3ccc([N+](=O)[O-])cc3)C=CN12 ZINC000001304453 551638481 /nfs/dbraw/zinc/63/84/81/551638481.db2.gz JNIHNHHTMVBUCU-LAJGZZDBSA-N 0 0 564.554 4.236 50 5 KIBARN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)N3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000001310914 551639565 /nfs/dbraw/zinc/63/95/65/551639565.db2.gz DQHRRIALCJSXKU-LIONHTAISA-N 0 0 544.951 4.411 50 5 KIBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000001311061 551639597 /nfs/dbraw/zinc/63/95/97/551639597.db2.gz NHIBTDIOQHRSIK-LIONHTAISA-N 0 0 528.952 4.398 50 5 KIBARN COc1ccc(N2C(=O)[C@H]3[C@H](C(=O)Nc4ccc(Cl)c([N+](=O)[O-])c4)N4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000001312853 551639967 /nfs/dbraw/zinc/63/99/67/551639967.db2.gz QXBJMINUKGUESN-ZYQDXHPFSA-N 0 0 544.951 4.411 50 5 KIBARN COc1nnc(-c2ccc(N3CCOCC3)c(NC(=O)COc3ccc([N+](=O)[O-])cc3)c2)c2ccccc21 ZINC000001313360 551639985 /nfs/dbraw/zinc/63/99/85/551639985.db2.gz LUSGXUFJYLWYMW-UHFFFAOYSA-N 0 0 515.526 4.068 50 5 KIBARN COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c1 ZINC000001314384 551639950 /nfs/dbraw/zinc/63/99/50/551639950.db2.gz XXNYYPINKCEHAO-BDTNDASRSA-N 0 0 524.327 4.417 50 5 KIBARN Cc1ccc(-n2c(=O)[nH]c(=O)c3c2NC(c2cccc([N+](=O)[O-])c2)=NC3(C(F)(F)F)C(F)(F)F)cc1C ZINC000001314464 551639957 /nfs/dbraw/zinc/63/99/57/551639957.db2.gz DNRJMEBGIBBAMM-UHFFFAOYSA-N 0 0 527.381 4.052 50 5 KIBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN21 ZINC000001314741 551640470 /nfs/dbraw/zinc/64/04/70/551640470.db2.gz FPGFSNILVCQDKB-KIHHCIJBSA-N 0 0 514.925 4.402 50 5 KIBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN21 ZINC000001315263 551640446 /nfs/dbraw/zinc/64/04/46/551640446.db2.gz RJXNBZRXDNKBQO-KIHHCIJBSA-N 0 0 514.925 4.402 50 5 KIBARN CCOC(=O)c1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc([N+](=O)[O-])cc4)N4C=Cc5ccccc5[C@H]34)C2O)cc1 ZINC000001315565 551640374 /nfs/dbraw/zinc/64/03/74/551640374.db2.gz JNQMUKCDYNLRIY-BKKFENPESA-N 0 0 537.528 4.170 50 5 KIBARN COc1cc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O ZINC000001315855 551640781 /nfs/dbraw/zinc/64/07/81/551640781.db2.gz KDQRKIRJGGNYDL-XPNTWCBSSA-N 0 0 554.353 4.118 50 5 KIBARN COc1ccccc1N1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000001316371 551640702 /nfs/dbraw/zinc/64/07/02/551640702.db2.gz RNFZWLJSTLRXID-ZYQDXHPFSA-N 0 0 544.951 4.411 50 5 KIBARN COc1ccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1Br ZINC000001316385 551640770 /nfs/dbraw/zinc/64/07/70/551640770.db2.gz ZVLJIPOFYVHUDN-ZRBLBEILSA-N 0 0 538.354 4.413 50 5 KIBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000001316709 551640679 /nfs/dbraw/zinc/64/06/79/551640679.db2.gz WBRWTURFOHAIIR-LIONHTAISA-N 0 0 528.952 4.398 50 5 KIBARN CCCC12CN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC(CCC)(CN(C(=O)Cc3cccc([N+](=O)[O-])c3)C1)C2=O ZINC000001317283 551640688 /nfs/dbraw/zinc/64/06/88/551640688.db2.gz UCVLIPMPTBWMAY-UHFFFAOYSA-N 0 0 550.612 4.115 50 5 KIBARN Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000001396989 551661273 /nfs/dbraw/zinc/66/12/73/551661273.db2.gz LLMBSRYLOCRIKK-GOSISDBHSA-N 0 0 538.449 4.304 50 5 KIBARN Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000001396990 551661249 /nfs/dbraw/zinc/66/12/49/551661249.db2.gz LLMBSRYLOCRIKK-SFHVURJKSA-N 0 0 538.449 4.304 50 5 KIBARN O=C(NC1CCCCCC1)c1nnn2c1sc1c(C(=O)NC3CCCCCC3)nnn1c1ccccc12 ZINC000001409704 551664215 /nfs/dbraw/zinc/66/42/15/551664215.db2.gz NIZAXQOGBIWYQQ-UHFFFAOYSA-N 0 0 520.663 4.454 50 5 KIBARN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(I)c1O ZINC000001416681 551666754 /nfs/dbraw/zinc/66/67/54/551666754.db2.gz AJMSGPFBXDCGHD-OVCLIPMQSA-N 0 0 512.281 4.150 50 5 KIBARN CCN(CC)S(=O)(=O)c1cc(C(=O)Oc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)ccc1C ZINC000001436696 551671471 /nfs/dbraw/zinc/67/14/71/551671471.db2.gz PBMHLPCKTRNFLU-UHFFFAOYSA-N 0 0 511.556 4.405 50 5 KIBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1ccc(I)cc1)C2=O ZINC000001506035 551683299 /nfs/dbraw/zinc/68/32/99/551683299.db2.gz VRPSJXJYDGCTPE-UHFFFAOYSA-N 0 0 513.247 4.252 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000001764994 551694877 /nfs/dbraw/zinc/69/48/77/551694877.db2.gz IDCUHTKXGBPBGB-JYWRCUDFSA-N 0 0 518.378 4.013 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000001764999 551694906 /nfs/dbraw/zinc/69/49/06/551694906.db2.gz IDCUHTKXGBPBGB-JZVSFUAJSA-N 0 0 518.378 4.013 50 5 KIBARN COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000001767776 551695520 /nfs/dbraw/zinc/69/55/20/551695520.db2.gz IIFUYKOBDWSSIM-LWUPDDLQSA-N 0 0 580.018 4.246 50 5 KIBARN COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000001767782 551695463 /nfs/dbraw/zinc/69/54/63/551695463.db2.gz IIFUYKOBDWSSIM-GJFKPFFXSA-N 0 0 580.018 4.246 50 5 KIBARN COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000001787674 551700881 /nfs/dbraw/zinc/70/08/81/551700881.db2.gz BYGRCQHXAQHEIT-LWUPDDLQSA-N 0 0 580.018 4.246 50 5 KIBARN COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000001787677 551700856 /nfs/dbraw/zinc/70/08/56/551700856.db2.gz BYGRCQHXAQHEIT-GJFKPFFXSA-N 0 0 580.018 4.246 50 5 KIBARN COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000001790984 551701672 /nfs/dbraw/zinc/70/16/72/551701672.db2.gz DZUSYHKUVKCYCN-LWUPDDLQSA-N 0 0 580.018 4.246 50 5 KIBARN COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000001790988 551701742 /nfs/dbraw/zinc/70/17/42/551701742.db2.gz DZUSYHKUVKCYCN-GJFKPFFXSA-N 0 0 580.018 4.246 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000001814710 551707222 /nfs/dbraw/zinc/70/72/22/551707222.db2.gz BLPTVCHOVZPNRR-PNZYDNNZSA-N 0 0 547.564 4.414 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000001814712 551707215 /nfs/dbraw/zinc/70/72/15/551707215.db2.gz BLPTVCHOVZPNRR-CBYYHRJHSA-N 0 0 547.564 4.414 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000001824444 551709466 /nfs/dbraw/zinc/70/94/66/551709466.db2.gz DZZAOBWWBICRFG-YMSBRDKKSA-N 0 0 533.537 4.106 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000001824446 551709498 /nfs/dbraw/zinc/70/94/98/551709498.db2.gz DZZAOBWWBICRFG-IGSWSUAKSA-N 0 0 533.537 4.106 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000001825239 551709686 /nfs/dbraw/zinc/70/96/86/551709686.db2.gz VEDYTPIRSWGPLU-YMSBRDKKSA-N 0 0 533.537 4.106 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000001825241 551709706 /nfs/dbraw/zinc/70/97/06/551709706.db2.gz VEDYTPIRSWGPLU-IGSWSUAKSA-N 0 0 533.537 4.106 50 5 KIBARN O=C(COc1ccc(Br)cc1Br)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000001841646 551714162 /nfs/dbraw/zinc/71/41/62/551714162.db2.gz FFVSFKUGBINIHY-UHFFFAOYSA-N 0 0 577.232 4.427 50 5 KIBARN Cc1ccc(S(=O)(=O)c2c(N)n(CCCOC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c3nc4ccccc4nc32)cc1 ZINC000001863681 551717513 /nfs/dbraw/zinc/71/75/13/551717513.db2.gz LYDXLTFDQVWMFA-UHFFFAOYSA-N 0 0 590.574 4.371 50 5 KIBARN Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)cc1[N+](=O)[O-] ZINC000001866009 551718028 /nfs/dbraw/zinc/71/80/28/551718028.db2.gz AUKGENCXEZIHHG-UHFFFAOYSA-N 0 0 509.613 4.054 50 5 KIBARN Cc1ccccc1-c1nc2s/c(=C\c3cn(-c4ccccc4)nc3-c3cccc([N+](=O)[O-])c3)c(=O)n2n1 ZINC000001874022 551720743 /nfs/dbraw/zinc/72/07/43/551720743.db2.gz WIPDZFDPEXHCDF-HAHDFKILSA-N 0 0 506.547 4.435 50 5 KIBARN COc1ccc(CCN2CC(=O)N3[C@H](Cc4c5ccccc5[nH]c4[C@H]3c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000001874840 551721519 /nfs/dbraw/zinc/72/15/19/551721519.db2.gz WFTDSAQLBKEKTL-FUFSCUOVSA-N 0 0 540.576 4.021 50 5 KIBARN COc1ccc(CCN2CC(=O)N3[C@H](c4ccc([N+](=O)[O-])cc4)c4[nH]c5ccccc5c4C[C@H]3C2=O)cc1OC ZINC000001874841 551721526 /nfs/dbraw/zinc/72/15/26/551721526.db2.gz WFTDSAQLBKEKTL-PWUYWRBVSA-N 0 0 540.576 4.021 50 5 biogenic KIBARN COc1ccc(CCN2CC(=O)N3[C@H](Cc4c5ccccc5[nH]c4[C@@H]3c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000001874842 551721520 /nfs/dbraw/zinc/72/15/20/551721520.db2.gz WFTDSAQLBKEKTL-GIGWZHCTSA-N 0 0 540.576 4.021 50 5 KIBARN COc1ccc(CCN2CC(=O)N3[C@@H](Cc4c5ccccc5[nH]c4[C@@H]3c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000001874843 551721522 /nfs/dbraw/zinc/72/15/22/551721522.db2.gz WFTDSAQLBKEKTL-OUTSHDOLSA-N 0 0 540.576 4.021 50 5 biogenic KIBARN O=C1CN(CCc2c[nH]c3ccccc23)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc([N+](=O)[O-])c3)N12 ZINC000001875404 551721919 /nfs/dbraw/zinc/72/19/19/551721919.db2.gz OWRDTPDMHMQVOR-GGXMVOPNSA-N 0 0 519.561 4.485 50 5 KIBARN O=C1CN(CCc2c[nH]c3ccccc23)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc([N+](=O)[O-])c3)N12 ZINC000001875405 551721925 /nfs/dbraw/zinc/72/19/25/551721925.db2.gz OWRDTPDMHMQVOR-LITSAYRRSA-N 0 0 519.561 4.485 50 5 biogenic KIBARN O=C1CN(CCc2c[nH]c3ccccc23)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc([N+](=O)[O-])c3)N12 ZINC000001875406 551721932 /nfs/dbraw/zinc/72/19/32/551721932.db2.gz OWRDTPDMHMQVOR-UHSQPCAPSA-N 0 0 519.561 4.485 50 5 KIBARN O=C1CN(CCc2c[nH]c3ccccc23)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc([N+](=O)[O-])c3)N12 ZINC000001875407 551721928 /nfs/dbraw/zinc/72/19/28/551721928.db2.gz OWRDTPDMHMQVOR-WNJJXGMVSA-N 0 0 519.561 4.485 50 5 biogenic KIBARN Cc1cccc(-c2nc3s/c(=C\c4cn(-c5ccccc5)nc4-c4ccc([N+](=O)[O-])cc4)c(=O)n3n2)c1 ZINC000001893331 551726945 /nfs/dbraw/zinc/72/69/45/551726945.db2.gz FTQZDHQAPCQUQV-HAHDFKILSA-N 0 0 506.547 4.435 50 5 KIBARN O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000001904014 551731758 /nfs/dbraw/zinc/73/17/58/551731758.db2.gz MWBXBFYUAMGJFD-UHFFFAOYSA-N 0 0 501.318 4.106 50 5 KIBARN CCOc1cc(/C=C2/N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)cc(I)c1OC(C)=O ZINC000002052780 551739005 /nfs/dbraw/zinc/73/90/05/551739005.db2.gz YZWSVXUTBXAWOO-LZYBPNLTSA-N 0 0 536.278 4.176 50 5 KIBARN CCOC(=O)c1sc(N2C(=O)c3cc([N+](=O)[O-])cc4cc([N+](=O)[O-])cc(c43)C2=O)c(C(=O)OCC)c1C ZINC000002053047 551738948 /nfs/dbraw/zinc/73/89/48/551738948.db2.gz KBRRIAPKLRIQAV-UHFFFAOYSA-N 0 0 527.467 4.180 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)c(Cl)c3)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000002058604 551740721 /nfs/dbraw/zinc/74/07/21/551740721.db2.gz QANTZUBOBNWZKL-JYWRCUDFSA-N 0 0 518.378 4.013 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)c(Cl)c3)c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000002058606 551740664 /nfs/dbraw/zinc/74/06/64/551740664.db2.gz QANTZUBOBNWZKL-JZVSFUAJSA-N 0 0 518.378 4.013 50 5 KIBARN CCCCOC(=O)c1cccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4ccc([N+](=O)[O-])cc4)cc3C2=O)c1 ZINC000002068033 551745842 /nfs/dbraw/zinc/74/58/42/551745842.db2.gz GVTJODQOWRNSJS-UHFFFAOYSA-N 0 0 530.489 4.392 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000002075697 551749939 /nfs/dbraw/zinc/74/99/39/551749939.db2.gz RCCYUNGZVQUDLB-CMISJSSVSA-N 0 0 555.612 4.286 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000002075699 551749912 /nfs/dbraw/zinc/74/99/12/551749912.db2.gz RCCYUNGZVQUDLB-DBXPASCUSA-N 0 0 555.612 4.286 50 5 KIBARN CCN(CC)C(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c(C(=O)OC(C)C)c1C ZINC000002083591 551753300 /nfs/dbraw/zinc/75/33/00/551753300.db2.gz KLYFTCSRIWFNJT-UHFFFAOYSA-N 0 0 506.537 4.481 50 5 KIBARN COCCOC(=O)c1c2c(sc1NC(=O)c1ccc(Cn3nc(C)c([N+](=O)[O-])c3C)o1)CCCC2 ZINC000002084863 551754690 /nfs/dbraw/zinc/75/46/90/551754690.db2.gz OSTWHDMBUXAZKC-UHFFFAOYSA-N 0 0 502.549 4.045 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(COc4cc([N+](=O)[O-])ccc4F)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000002110252 551766933 /nfs/dbraw/zinc/76/69/33/551766933.db2.gz BUDGQLDEOCKMOC-PNZYDNNZSA-N 0 0 563.563 4.018 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(COc4cc([N+](=O)[O-])ccc4F)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000002110256 551766924 /nfs/dbraw/zinc/76/69/24/551766924.db2.gz BUDGQLDEOCKMOC-CBYYHRJHSA-N 0 0 563.563 4.018 50 5 KIBARN COc1ccc2c3ccc(OC(=O)[C@@H](NS(=O)(=O)c4ccc(C)cc4)C(C)C)c(C)c3oc(=O)c2c1 ZINC000002111875 551767883 /nfs/dbraw/zinc/76/78/83/551767883.db2.gz HWEPWHCSZLPWBM-DEOSSOPVSA-N 0 0 509.580 4.480 50 5 biogenic KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccccc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1 ZINC000002146622 551776370 /nfs/dbraw/zinc/77/63/70/551776370.db2.gz DDVYITMRRONZMK-CMISJSSVSA-N 0 0 555.612 4.286 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccccc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000002146635 551776416 /nfs/dbraw/zinc/77/64/16/551776416.db2.gz DDVYITMRRONZMK-DBXPASCUSA-N 0 0 555.612 4.286 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000002146647 551776346 /nfs/dbraw/zinc/77/63/46/551776346.db2.gz XBVFMZIGEXMOGU-DBXPASCUSA-N 0 0 555.612 4.286 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccccc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000002148463 551776945 /nfs/dbraw/zinc/77/69/45/551776945.db2.gz YFNXYBUWXMYLSY-ASZNLBCTSA-N 0 0 585.638 4.294 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccccc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000002148472 551776869 /nfs/dbraw/zinc/77/68/69/551776869.db2.gz YFNXYBUWXMYLSY-YNMQQHPQSA-N 0 0 585.638 4.294 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000002148482 551776880 /nfs/dbraw/zinc/77/68/80/551776880.db2.gz UMDHZCLMEYDAPI-ASZNLBCTSA-N 0 0 585.638 4.294 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000002148489 551777128 /nfs/dbraw/zinc/77/71/28/551777128.db2.gz UMDHZCLMEYDAPI-YNMQQHPQSA-N 0 0 585.638 4.294 50 5 KIBARN COc1ccc(CCN2CC(=O)N3[C@H](c4cccc([N+](=O)[O-])c4)c4[nH]c5ccccc5c4C[C@H]3C2=O)cc1 ZINC000002150534 551778143 /nfs/dbraw/zinc/77/81/43/551778143.db2.gz MGYJKFKSJWDLDZ-LBNVMWSVSA-N 0 0 510.550 4.012 50 5 biogenic KIBARN COc1ccc(CCN2CC(=O)N3[C@@H](Cc4c5ccccc5[nH]c4[C@@H]3c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000002150536 551778162 /nfs/dbraw/zinc/77/81/62/551778162.db2.gz MGYJKFKSJWDLDZ-LSYYVWMOSA-N 0 0 510.550 4.012 50 5 biogenic KIBARN COc1ccc(CCN2CC(=O)N3[C@H](c4cccc([N+](=O)[O-])c4)c4[nH]c5ccccc5c4C[C@H]3C2=O)cc1OC ZINC000002152119 551779125 /nfs/dbraw/zinc/77/91/25/551779125.db2.gz RWOZBOIYDAWRQA-PWUYWRBVSA-N 0 0 540.576 4.021 50 5 biogenic KIBARN COc1ccc(CCN2CC(=O)N3[C@@H](Cc4c5ccccc5[nH]c4[C@@H]3c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000002152123 551779153 /nfs/dbraw/zinc/77/91/53/551779153.db2.gz RWOZBOIYDAWRQA-OUTSHDOLSA-N 0 0 540.576 4.021 50 5 biogenic KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000002159110 551780314 /nfs/dbraw/zinc/78/03/14/551780314.db2.gz PVCNLAUHUHDBSE-PNZYDNNZSA-N 0 0 563.563 4.114 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000002159118 551780327 /nfs/dbraw/zinc/78/03/27/551780327.db2.gz PVCNLAUHUHDBSE-CBYYHRJHSA-N 0 0 563.563 4.114 50 5 KIBARN O=[N+]([O-])c1ccc(CSc2nc3ccc(Nc4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3s2)cc1 ZINC000002185542 551786552 /nfs/dbraw/zinc/78/65/52/551786552.db2.gz CVFTWHPWXVWIPM-UHFFFAOYSA-N 0 0 566.669 4.099 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000002188485 551788515 /nfs/dbraw/zinc/78/85/15/551788515.db2.gz HBMRHWPAOVJWLV-GJFKPFFXSA-N 0 0 529.574 4.275 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000002188487 551788558 /nfs/dbraw/zinc/78/85/58/551788558.db2.gz HBMRHWPAOVJWLV-LWUPDDLQSA-N 0 0 529.574 4.275 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cccs1 ZINC000002228660 552082077 /nfs/dbraw/zinc/08/20/77/552082077.db2.gz ACIXZMBKKJKCCF-VZIOXZNFSA-N 0 0 535.603 4.336 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cccs1 ZINC000002228664 552082050 /nfs/dbraw/zinc/08/20/50/552082050.db2.gz ACIXZMBKKJKCCF-QCHPHUCNSA-N 0 0 535.603 4.336 50 5 KIBARN CCOc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(OC)cc4)nc3cc2C)cc1[N+](=O)[O-] ZINC000002230470 551797337 /nfs/dbraw/zinc/79/73/37/551797337.db2.gz NFMLCONVMFSMGL-UHFFFAOYSA-N 0 0 506.544 4.171 50 5 KIBARN Cc1ccc(S(=O)(=O)NCCC(=O)Oc2ccc3c(c2)oc(C)c(-c2ccc([N+](=O)[O-])cc2)c3=O)cc1 ZINC000002260528 552084184 /nfs/dbraw/zinc/08/41/84/552084184.db2.gz MPEOXLLJVOPMPR-UHFFFAOYSA-N 0 0 522.535 4.259 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1 ZINC000002273918 552086077 /nfs/dbraw/zinc/08/60/77/552086077.db2.gz KASOZKVYYWTXON-GJFKPFFXSA-N 0 0 529.574 4.275 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000002273920 552086087 /nfs/dbraw/zinc/08/60/87/552086087.db2.gz KASOZKVYYWTXON-LWUPDDLQSA-N 0 0 529.574 4.275 50 5 KIBARN CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)ccc1OCC)[nH]c2=O ZINC000002276290 552086575 /nfs/dbraw/zinc/08/65/75/552086575.db2.gz SBEPAKSVWYGIQV-UHFFFAOYSA-N 0 0 540.602 4.001 50 5 KIBARN COC(=O)c1c2cc(Cc3ccc([N+](=O)[O-])cc3)ccn2c(C(=O)c2ccc([N+](=O)[O-])cc2)c1C(=O)OC ZINC000002279315 551805841 /nfs/dbraw/zinc/80/58/41/551805841.db2.gz LXWBPKUQZNEBJO-UHFFFAOYSA-N 0 0 517.450 4.151 50 5 KIBARN COc1ccccc1CCNC(=O)c1c(N)n(-c2cc([N+](=O)[O-])ccc2OC)c2nc3ccccc3nc21 ZINC000002289796 551807263 /nfs/dbraw/zinc/80/72/63/551807263.db2.gz IZDOKXRMVKLCQM-UHFFFAOYSA-N 0 0 512.526 4.054 50 5 KIBARN COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000002298446 551807430 /nfs/dbraw/zinc/80/74/30/551807430.db2.gz FRCYDQPNKWUEPO-UHFFFAOYSA-N 0 0 513.553 4.215 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1cccs1 ZINC000002307078 551808814 /nfs/dbraw/zinc/80/88/14/551808814.db2.gz YDTOBVQEHRXLGD-WLJFKGHSSA-N 0 0 521.576 4.028 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1cccs1 ZINC000002307080 551808829 /nfs/dbraw/zinc/80/88/29/551808829.db2.gz YDTOBVQEHRXLGD-VLOXRPPESA-N 0 0 521.576 4.028 50 5 KIBARN CCOc1cc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc(I)c1OCC ZINC000002312849 552091203 /nfs/dbraw/zinc/09/12/03/552091203.db2.gz SEXMJIBGOHSLAH-SXGWCWSVSA-N 0 0 508.268 4.341 50 5 KIBARN Cc1ccc(S(=O)(=O)c2c(N)n(CCCOC(=O)c3cccc([N+](=O)[O-])c3)c3nc4ccccc4nc32)cc1 ZINC000002313869 552091881 /nfs/dbraw/zinc/09/18/81/552091881.db2.gz BFZOEQYLUKUSNZ-UHFFFAOYSA-N 0 0 545.577 4.463 50 5 KIBARN CCOC(=O)CSc1nc2ccc(NC(=O)CSc3nnc(-c4cccc([N+](=O)[O-])c4)n3C)cc2s1 ZINC000002318594 552093275 /nfs/dbraw/zinc/09/32/75/552093275.db2.gz FSJSOHGUDSODTC-UHFFFAOYSA-N 0 0 544.640 4.386 50 5 KIBARN COc1ccc(-n2c3nc4ccccc4nc3c3c2nc(C)n(-c2c(C)n(C)n(-c4ccccc4)c2=O)c3=O)cc1 ZINC000002318993 552093558 /nfs/dbraw/zinc/09/35/58/552093558.db2.gz VIJHXXULQSSGHM-UHFFFAOYSA-N 0 0 543.587 4.388 50 5 KIBARN COc1ccc(-n2c3nc4ccccc4nc3c3c2ncn(-c2c(C)n(C)n(-c4ccccc4)c2=O)c3=O)cc1 ZINC000002319123 552093535 /nfs/dbraw/zinc/09/35/35/552093535.db2.gz PUSFEVKFMHLBJN-UHFFFAOYSA-N 0 0 529.560 4.079 50 5 KIBARN Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1CCCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC000002364245 552103356 /nfs/dbraw/zinc/10/33/56/552103356.db2.gz QSTOWBWSHPTHJI-UHFFFAOYSA-N 0 0 531.550 4.155 50 5 KIBARN CCOc1cc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc(OCC)c1OCC ZINC000002375957 552106366 /nfs/dbraw/zinc/10/63/66/552106366.db2.gz LBYPBDITLPFBGZ-UHFFFAOYSA-N 0 0 521.573 4.333 50 5 KIBARN Cc1cccn2c1nc1c(cc(S(=O)(=O)c3ccc(Br)cc3)c(=N)n1C1CCCC1)c2=O ZINC000002403252 552111738 /nfs/dbraw/zinc/11/17/38/552111738.db2.gz KNUMWUMNJWSODS-UHFFFAOYSA-N 0 0 513.417 4.147 50 5 KIBARN Cc1ccccc1-c1nc2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)c(=O)n2n1 ZINC000002448159 552122394 /nfs/dbraw/zinc/12/23/94/552122394.db2.gz PZMXFFLFBGINHT-HAHDFKILSA-N 0 0 506.547 4.435 50 5 KIBARN O=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)OCc1cc(=O)oc2ccc3ccccc3c12 ZINC000002639816 552142619 /nfs/dbraw/zinc/14/26/19/552142619.db2.gz MRUGNOQEHGKAFX-UHFFFAOYSA-N 0 0 505.470 4.377 50 5 KIBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cn2c3ccccc3n(CCc3ccccc3)c2=S)CC1 ZINC000002645294 552144542 /nfs/dbraw/zinc/14/45/42/552144542.db2.gz ZHUVSWHPKNPQBN-UHFFFAOYSA-N 0 0 537.667 4.287 50 5 KIBARN COC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccs1 ZINC000002665736 552151490 /nfs/dbraw/zinc/15/14/90/552151490.db2.gz VHMHSIFSBGAIMK-IBYCJETLSA-N 0 0 583.651 4.231 50 5 KIBARN COC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccs1 ZINC000002665738 552151734 /nfs/dbraw/zinc/15/17/34/552151734.db2.gz VHMHSIFSBGAIMK-OFCKJYIJSA-N 0 0 583.651 4.231 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cccs1 ZINC000002678625 552154108 /nfs/dbraw/zinc/15/41/08/552154108.db2.gz SHMPKSNSVRWDEB-WLJFKGHSSA-N 0 0 521.576 4.028 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cccs1 ZINC000002678627 552154080 /nfs/dbraw/zinc/15/40/80/552154080.db2.gz SHMPKSNSVRWDEB-VLOXRPPESA-N 0 0 521.576 4.028 50 5 KIBARN CCOC(=O)c1c2c(sc1NC(=O)c1ccc(NC(=O)c3nn(CC)cc3[N+](=O)[O-])cc1)CCCC2 ZINC000002731596 552168307 /nfs/dbraw/zinc/16/83/07/552168307.db2.gz ZGMPEIDETPMYAK-UHFFFAOYSA-N 0 0 511.560 4.433 50 5 KIBARN COc1cc(NC(=O)c2ccc(F)c([N+](=O)[O-])c2)c(OC)cc1NC(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000002738362 552171047 /nfs/dbraw/zinc/17/10/47/552171047.db2.gz QHSZVCQPYCZSEN-UHFFFAOYSA-N 0 0 502.386 4.303 50 5 KIBARN COc1cc(C(=O)NN2C(=O)c3cc(Br)ccc3N[C@@H]2c2cccc([N+](=O)[O-])c2)cc(OC)c1OC ZINC000002746869 552174056 /nfs/dbraw/zinc/17/40/56/552174056.db2.gz ZNLSZGRCHWANKD-QFIPXVFZSA-N 0 0 557.357 4.295 50 5 KIBARN COc1cc(C(=O)NN2C(=O)c3cc(Br)ccc3N[C@H]2c2cccc([N+](=O)[O-])c2)cc(OC)c1OC ZINC000002746870 552174070 /nfs/dbraw/zinc/17/40/70/552174070.db2.gz ZNLSZGRCHWANKD-JOCHJYFZSA-N 0 0 557.357 4.295 50 5 KIBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N(c1cccc2ccccc21)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000002758369 552180603 /nfs/dbraw/zinc/18/06/03/552180603.db2.gz FHIAMVDUBUFUQV-UHFFFAOYSA-N 0 0 513.509 4.240 50 5 KIBARN COC(=O)c1sc2ncn3nc(-c4cccc(Cn5cc(Br)c([N+](=O)[O-])n5)c4)nc3c2c1C ZINC000002799524 552193848 /nfs/dbraw/zinc/19/38/48/552193848.db2.gz WSAUPEISCQNHBD-UHFFFAOYSA-N 0 0 528.348 4.017 50 5 KIBARN O=[N+]([O-])c1nn(Cc2cccc(-c3nc4c5cnn(-c6ccccc6)c5ncn4n3)c2)cc1Br ZINC000002800265 552194323 /nfs/dbraw/zinc/19/43/23/552194323.db2.gz YOKOHGJVFKFJBL-UHFFFAOYSA-N 0 0 516.319 4.046 50 5 KIBARN CCOC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C(=O)OCC)C1c1ccc(C)c([N+](=O)[O-])c1 ZINC000002805663 552195705 /nfs/dbraw/zinc/19/57/05/552195705.db2.gz MKTQMSYUQXAOKS-UHFFFAOYSA-N 0 0 510.543 4.414 50 5 KIBARN COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1Cc1ccccc1 ZINC000002835480 552197360 /nfs/dbraw/zinc/19/73/60/552197360.db2.gz HHRZMYWZYGGOGH-UHFFFAOYSA-N 0 0 503.540 4.419 50 5 KIBARN COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2Cc2ccccc2)cc1 ZINC000002836424 552197638 /nfs/dbraw/zinc/19/76/38/552197638.db2.gz XHUJZKJABLLWJE-UHFFFAOYSA-N 0 0 503.540 4.419 50 5 KIBARN Cn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000002837166 552198007 /nfs/dbraw/zinc/19/80/07/552198007.db2.gz BCVPHVRRKOFAQY-UHFFFAOYSA-N 0 0 528.900 4.056 50 5 KIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000002837662 552198018 /nfs/dbraw/zinc/19/80/18/552198018.db2.gz YESIXRHXAMBOAX-UHFFFAOYSA-N 0 0 565.988 4.117 50 5 KIBARN CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1nc(-c2ccccc2)c(C)s1 ZINC000002837698 552198014 /nfs/dbraw/zinc/19/80/14/552198014.db2.gz WLLLWWNQOCDCRY-UHFFFAOYSA-N 0 0 537.627 4.299 50 5 KIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000002837935 552198011 /nfs/dbraw/zinc/19/80/11/552198011.db2.gz MZQILTCEYCTGNN-UHFFFAOYSA-N 0 0 501.586 4.468 50 5 KIBARN CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1cccc(Cl)c1Cl ZINC000002838054 552198178 /nfs/dbraw/zinc/19/81/78/552198178.db2.gz MYCPNCHIQANENC-UHFFFAOYSA-N 0 0 509.375 4.174 50 5 KIBARN CSc1nnc2c(n1)O[C@@H](c1cc3c(cc1[N+](=O)[O-])OCO3)N(C(C)=O)c1ccc(Br)cc1-2 ZINC000002840256 552198417 /nfs/dbraw/zinc/19/84/17/552198417.db2.gz HWSHNKXLAFPMRY-IBGZPJMESA-N 0 0 532.332 4.104 50 5 KIBARN CSc1nnc2c(n1)O[C@H](c1cc3c(cc1[N+](=O)[O-])OCO3)N(C(C)=O)c1ccc(Br)cc1-2 ZINC000002840257 552198465 /nfs/dbraw/zinc/19/84/65/552198465.db2.gz HWSHNKXLAFPMRY-LJQANCHMSA-N 0 0 532.332 4.104 50 5 KIBARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Br)c2cccc([N+](=O)[O-])c2)cc1 ZINC000002844465 552200160 /nfs/dbraw/zinc/20/01/60/552200160.db2.gz KDCBNLKCOZIFHZ-UHFFFAOYSA-N 0 0 504.362 4.500 50 5 KIBARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000002845199 552200429 /nfs/dbraw/zinc/20/04/29/552200429.db2.gz OTWAPJFTZOXKMT-UHFFFAOYSA-N 0 0 548.577 4.260 50 5 KIBARN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)S(C)(=O)=O ZINC000002845333 552200366 /nfs/dbraw/zinc/20/03/66/552200366.db2.gz MFXWFVVGIMMZFV-UHFFFAOYSA-N 0 0 587.463 4.416 50 5 KIBARN Cc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)nn12 ZINC000002850584 552200955 /nfs/dbraw/zinc/20/09/55/552200955.db2.gz MVQJROQOBSELJC-UHFFFAOYSA-N 0 0 505.541 4.456 50 5 KIBARN COc1ccc(NC(=O)N2CCN(C(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)CC2)cc1OC ZINC000002851257 552201110 /nfs/dbraw/zinc/20/11/10/552201110.db2.gz RRBPLUXYYBYGGD-UHFFFAOYSA-N 0 0 504.952 4.470 50 5 KIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(CNC(=O)c2ccccc2F)n1-c1ccccc1 ZINC000002852671 552201390 /nfs/dbraw/zinc/20/13/90/552201390.db2.gz FMMXTGKDSWWJQF-UHFFFAOYSA-N 0 0 520.546 4.284 50 5 KIBARN O=C(c1sc2cc([N+](=O)[O-])ccc2c1Cl)N1CCN(C(=S)Nc2ccc3c(c2)OCO3)CC1 ZINC000002853594 552201746 /nfs/dbraw/zinc/20/17/46/552201746.db2.gz SYZVDLDQOMIKSI-UHFFFAOYSA-N 0 0 504.977 4.346 50 5 KIBARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2cc(Cl)ccc2OC)cc1OC ZINC000002857866 552202927 /nfs/dbraw/zinc/20/29/27/552202927.db2.gz ORBHSPXVYOYIOA-UHFFFAOYSA-N 0 0 549.989 4.416 50 5 KIBARN COc1ccc(N(CC(=O)Nc2ccccc2SC)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000002858377 552202969 /nfs/dbraw/zinc/20/29/69/552202969.db2.gz YCHZRPFPMFIRSO-UHFFFAOYSA-N 0 0 517.585 4.168 50 5 KIBARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2cc(Cl)ccc2OC)cc1OC ZINC000002859066 552203114 /nfs/dbraw/zinc/20/31/14/552203114.db2.gz UIBQTBUXGGWHLC-UHFFFAOYSA-N 0 0 549.989 4.416 50 5 KIBARN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(Br)cc1F ZINC000002859088 552203137 /nfs/dbraw/zinc/20/31/37/552203137.db2.gz RKNRRPADWOBFLC-UHFFFAOYSA-N 0 0 508.325 4.330 50 5 KIBARN COc1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)NCCc2c[nH]c3ccccc23)cc1OC ZINC000002860199 552203734 /nfs/dbraw/zinc/20/37/34/552203734.db2.gz UCBPMRKGZBYFNY-BUVRLJJBSA-N 0 0 514.538 4.223 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000002860246 552203771 /nfs/dbraw/zinc/20/37/71/552203771.db2.gz HAYKNEHRYLYMMZ-RISWYLRJSA-N 0 0 559.600 4.284 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000002860248 552203852 /nfs/dbraw/zinc/20/38/52/552203852.db2.gz HAYKNEHRYLYMMZ-LMSRTUJASA-N 0 0 559.600 4.284 50 5 KIBARN COc1cc(C(=O)Oc2c(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(C)nn2-c2ccccc2)cc(OC)c1OC ZINC000002865703 552205167 /nfs/dbraw/zinc/20/51/67/552205167.db2.gz UGUVYEGFGCMWEU-UHFFFAOYSA-N 0 0 553.549 4.167 50 5 KIBARN Cc1ccc(NC(=O)CSc2nnc(CCNC(=O)c3ccc(Cl)c(Cl)c3)n2C)cc1[N+](=O)[O-] ZINC000002867054 552205726 /nfs/dbraw/zinc/20/57/26/552205726.db2.gz KTGPIPUDEMMVNA-UHFFFAOYSA-N 0 0 523.402 4.042 50 5 KIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000002877506 552207902 /nfs/dbraw/zinc/20/79/02/552207902.db2.gz SGBHOTSJFQZEJK-UHFFFAOYSA-N 0 0 535.962 4.108 50 5 KIBARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccc(Cl)cc2)cc1OC ZINC000002880878 552208483 /nfs/dbraw/zinc/20/84/83/552208483.db2.gz INFPDXZHSHUGCO-UHFFFAOYSA-N 0 0 519.963 4.408 50 5 KIBARN COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)S(C)(=O)=O ZINC000002885802 552209335 /nfs/dbraw/zinc/20/93/35/552209335.db2.gz BYJTZHRKSQTNMF-UHFFFAOYSA-N 0 0 505.936 4.454 50 5 KIBARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)Cc2ccccc2)cc1Cl ZINC000002886537 552209475 /nfs/dbraw/zinc/20/94/75/552209475.db2.gz NMSWACHRHIYDEP-UHFFFAOYSA-N 0 0 503.964 4.395 50 5 KIBARN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)sc2=N[C@H]1c1ccc(OC)cc1 ZINC000002903756 1064282270 /nfs/dbraw/zinc/28/22/70/1064282270.db2.gz BMTUEESQODOMJS-GJFKPFFXSA-N 0 0 545.573 4.084 50 5 KIBARN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)sc2=N[C@@H]1c1ccc(OC)cc1 ZINC000002903758 1064282860 /nfs/dbraw/zinc/28/28/60/1064282860.db2.gz BMTUEESQODOMJS-LWUPDDLQSA-N 0 0 545.573 4.084 50 5 KIBARN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)sc2=N[C@H]1c1ccc(OC)cc1 ZINC000002904087 1064283452 /nfs/dbraw/zinc/28/34/52/1064283452.db2.gz OGXCXJLMVGTMAE-GJFKPFFXSA-N 0 0 545.573 4.084 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000002909793 552214147 /nfs/dbraw/zinc/21/41/47/552214147.db2.gz LPIKDROABGOSRU-VPVLBGOXSA-N 0 0 594.001 4.349 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000002909798 552214134 /nfs/dbraw/zinc/21/41/34/552214134.db2.gz LPIKDROABGOSRU-UTWPHBJQSA-N 0 0 594.001 4.349 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000002911308 552214400 /nfs/dbraw/zinc/21/44/00/552214400.db2.gz DJXSQYLHERXRQU-RISWYLRJSA-N 0 0 559.600 4.284 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000002911312 552214434 /nfs/dbraw/zinc/21/44/34/552214434.db2.gz DJXSQYLHERXRQU-LMSRTUJASA-N 0 0 559.600 4.284 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000002911440 552214585 /nfs/dbraw/zinc/21/45/85/552214585.db2.gz GENMGTMLMVZTED-MFCBUNOESA-N 0 0 589.626 4.292 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000002911444 552214581 /nfs/dbraw/zinc/21/45/81/552214581.db2.gz GENMGTMLMVZTED-SUAMDDGLSA-N 0 0 589.626 4.292 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000002911921 552214856 /nfs/dbraw/zinc/21/48/56/552214856.db2.gz UXDUCLUFRFIANA-ZFWDJNJRSA-N 0 0 573.583 4.004 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000002911926 552214887 /nfs/dbraw/zinc/21/48/87/552214887.db2.gz UXDUCLUFRFIANA-NFYDWNOTSA-N 0 0 573.583 4.004 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000002912981 552215550 /nfs/dbraw/zinc/21/55/50/552215550.db2.gz UMBHUMRIXJQVKE-VPVLBGOXSA-N 0 0 594.001 4.349 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000002912985 552215647 /nfs/dbraw/zinc/21/56/47/552215647.db2.gz UMBHUMRIXJQVKE-UTWPHBJQSA-N 0 0 594.001 4.349 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000002914297 552215802 /nfs/dbraw/zinc/21/58/02/552215802.db2.gz ZLRHEJQQEQAFBT-RISWYLRJSA-N 0 0 559.600 4.284 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000002914301 552215791 /nfs/dbraw/zinc/21/57/91/552215791.db2.gz ZLRHEJQQEQAFBT-LMSRTUJASA-N 0 0 559.600 4.284 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000002914532 552216144 /nfs/dbraw/zinc/21/61/44/552216144.db2.gz MPNZOIDPTGVNBF-YRSDHNRQSA-N 0 0 599.621 4.014 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000002914537 552216146 /nfs/dbraw/zinc/21/61/46/552216146.db2.gz MPNZOIDPTGVNBF-DQARITGZSA-N 0 0 599.621 4.014 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000002914780 552216105 /nfs/dbraw/zinc/21/61/05/552216105.db2.gz QSLRNHHASQLJEE-YRSDHNRQSA-N 0 0 599.621 4.014 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000002914785 552216088 /nfs/dbraw/zinc/21/60/88/552216088.db2.gz QSLRNHHASQLJEE-DQARITGZSA-N 0 0 599.621 4.014 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000002915099 552216350 /nfs/dbraw/zinc/21/63/50/552216350.db2.gz PYWIHCHBMFHFTI-GJFKPFFXSA-N 0 0 529.574 4.275 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000002915102 552216333 /nfs/dbraw/zinc/21/63/33/552216333.db2.gz PYWIHCHBMFHFTI-LWUPDDLQSA-N 0 0 529.574 4.275 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000002915435 552216540 /nfs/dbraw/zinc/21/65/40/552216540.db2.gz BWPVLWYVZBAJOU-RISWYLRJSA-N 0 0 559.600 4.284 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000002915440 552216541 /nfs/dbraw/zinc/21/65/41/552216541.db2.gz BWPVLWYVZBAJOU-LMSRTUJASA-N 0 0 559.600 4.284 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000002915553 552216573 /nfs/dbraw/zinc/21/65/73/552216573.db2.gz GTQDNZBUZHOXTD-ASZNLBCTSA-N 0 0 585.638 4.294 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000002915556 552216664 /nfs/dbraw/zinc/21/66/64/552216664.db2.gz GTQDNZBUZHOXTD-YNMQQHPQSA-N 0 0 585.638 4.294 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000002918452 552218398 /nfs/dbraw/zinc/21/83/98/552218398.db2.gz AYONHOXCGOQQNW-ASZNLBCTSA-N 0 0 585.638 4.294 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000002918456 552218410 /nfs/dbraw/zinc/21/84/10/552218410.db2.gz AYONHOXCGOQQNW-YNMQQHPQSA-N 0 0 585.638 4.294 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000002918606 552218748 /nfs/dbraw/zinc/21/87/48/552218748.db2.gz CQNLDCLOAODCQU-ZFWDJNJRSA-N 0 0 573.583 4.004 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000002918612 552218731 /nfs/dbraw/zinc/21/87/31/552218731.db2.gz CQNLDCLOAODCQU-NFYDWNOTSA-N 0 0 573.583 4.004 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000002920364 552219470 /nfs/dbraw/zinc/21/94/70/552219470.db2.gz FNIPDFKKTFVXEF-GJFKPFFXSA-N 0 0 529.574 4.275 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000002920369 552219483 /nfs/dbraw/zinc/21/94/83/552219483.db2.gz FNIPDFKKTFVXEF-LWUPDDLQSA-N 0 0 529.574 4.275 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000002920826 552219633 /nfs/dbraw/zinc/21/96/33/552219633.db2.gz MOGGFCVCZSXOFN-CMISJSSVSA-N 0 0 555.612 4.286 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000002920828 552219988 /nfs/dbraw/zinc/21/99/88/552219988.db2.gz MOGGFCVCZSXOFN-DBXPASCUSA-N 0 0 555.612 4.286 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000002920924 552219981 /nfs/dbraw/zinc/21/99/81/552219981.db2.gz DFHKMRJSKCCEMB-ASZNLBCTSA-N 0 0 585.638 4.294 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000002920928 552220004 /nfs/dbraw/zinc/22/00/04/552220004.db2.gz DFHKMRJSKCCEMB-YNMQQHPQSA-N 0 0 585.638 4.294 50 5 KIBARN O=C(CCCn1c(=O)c2sccc2nc1SCC(=O)c1cccc([N+](=O)[O-])c1)NCc1ccc2c(c1)OCO2 ZINC000002925382 552223024 /nfs/dbraw/zinc/22/30/24/552223024.db2.gz MELRMJSCCGJKCZ-UHFFFAOYSA-N 0 0 566.617 4.167 50 5 KIBARN O=C(CCCn1c(=O)c2sccc2nc1SCc1cccc([N+](=O)[O-])c1)NCc1ccc2c(c1)OCO2 ZINC000002925392 552223022 /nfs/dbraw/zinc/22/30/22/552223022.db2.gz JJQPHVFFFOXKPV-UHFFFAOYSA-N 0 0 538.607 4.484 50 5 KIBARN O=C(CCCn1c(=O)c2sccc2nc1SCc1ccc([N+](=O)[O-])cc1)NCc1ccc2c(c1)OCO2 ZINC000002925403 552223040 /nfs/dbraw/zinc/22/30/40/552223040.db2.gz AUZJQDXMMPCVGN-UHFFFAOYSA-N 0 0 538.607 4.484 50 5 KIBARN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCCSCc1ccccc1Cl ZINC000002930851 552225651 /nfs/dbraw/zinc/22/56/51/552225651.db2.gz DYDPOIZKCQUSFY-UHFFFAOYSA-N 0 0 520.032 4.493 50 5 KIBARN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCCSc1ccc(Cl)cc1 ZINC000002931931 552226118 /nfs/dbraw/zinc/22/61/18/552226118.db2.gz IDNVBNPIAUPWNG-UHFFFAOYSA-N 0 0 506.005 4.352 50 5 KIBARN O=C(COc1ccccc1Br)Nn1c(=O)c2sccc2nc1SCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000002932372 552226410 /nfs/dbraw/zinc/22/64/10/552226410.db2.gz SBBQCGVFRKQTSG-UHFFFAOYSA-N 0 0 575.422 4.253 50 5 KIBARN CCOC(=O)C(=Cc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1)C(=O)OCC ZINC000002933055 552226894 /nfs/dbraw/zinc/22/68/94/552226894.db2.gz DFCXFRMACJVQAQ-UHFFFAOYSA-N 0 0 508.321 4.455 50 5 KIBARN CCOC(=O)C(=Cc1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1)C(=O)OCC ZINC000002933202 552226904 /nfs/dbraw/zinc/22/69/04/552226904.db2.gz IDLIZWTWFBDGMJ-UHFFFAOYSA-N 0 0 555.321 4.297 50 5 KIBARN O=C1NC(=S)SC1=Cc1cc(Br)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002949288 552228764 /nfs/dbraw/zinc/22/87/64/552228764.db2.gz RYWZZPRMWIIAGC-RIYZIHGNSA-N 0 0 501.361 4.454 50 5 KIBARN COc1cc(C(=O)N[C@H](NC(=S)Nc2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)cc(OC)c1OC ZINC000002952162 552229680 /nfs/dbraw/zinc/22/96/80/552229680.db2.gz YIKUMAHRRHOLDQ-QGZVFWFLSA-N 0 0 537.809 4.033 50 5 KIBARN COc1cc(C(=O)N[C@@H](NC(=S)Nc2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)cc(OC)c1OC ZINC000002952164 552229713 /nfs/dbraw/zinc/22/97/13/552229713.db2.gz YIKUMAHRRHOLDQ-KRWDZBQOSA-N 0 0 537.809 4.033 50 5 KIBARN Cc1c(C(=O)N(C)C)sc2c1c(=O)n(-c1ccc(Cl)c(Cl)c1)c(=O)n2Cc1ccc([N+](=O)[O-])cc1 ZINC000002956671 552231278 /nfs/dbraw/zinc/23/12/78/552231278.db2.gz NUWBVNPGSBMNDP-UHFFFAOYSA-N 0 0 533.393 4.487 50 5 KIBARN Cc1c(C(=O)N(C)C)sc2c1c(=O)n(-c1ccc(Cl)c(Cl)c1)c(=O)n2Cc1cccc([N+](=O)[O-])c1 ZINC000002956680 552231304 /nfs/dbraw/zinc/23/13/04/552231304.db2.gz FGVZMBXGNVLIRG-UHFFFAOYSA-N 0 0 533.393 4.487 50 5 KIBARN CCN(CC)C(=O)c1sc2c(c1C)c(=O)n(CCc1ccccc1)c(=O)n2Cc1cccc([N+](=O)[O-])c1 ZINC000002956979 552232201 /nfs/dbraw/zinc/23/22/01/552232201.db2.gz BEWHKXXEQCGWDO-UHFFFAOYSA-N 0 0 520.611 4.214 50 5 KIBARN CCN(CC)C(=O)c1sc2c(c1C)c(=O)n(Cc1ccccc1)c(=O)n2Cc1cccc([N+](=O)[O-])c1 ZINC000002957042 552232555 /nfs/dbraw/zinc/23/25/55/552232555.db2.gz BHTQUDMCHXLJFL-UHFFFAOYSA-N 0 0 506.584 4.020 50 5 KIBARN COc1ccc(Cn2c(=O)c3sc4ccc([N+](=O)[O-])cc4c3nc2SCC(=O)N2CCCC2)cc1 ZINC000002961621 552233839 /nfs/dbraw/zinc/23/38/39/552233839.db2.gz MTEVYEDOPYCLOF-UHFFFAOYSA-N 0 0 510.597 4.291 50 5 KIBARN COc1ccc(N(CC(=O)Nc2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000002964748 552235769 /nfs/dbraw/zinc/23/57/69/552235769.db2.gz JDXJCKVDHNAPSC-UHFFFAOYSA-N 0 0 539.488 4.465 50 5 KIBARN O=C(CSc1nnc(CNC(=O)c2ccccc2C(F)(F)F)n1-c1ccc([N+](=O)[O-])cc1)Nc1nccs1 ZINC000002965845 552236135 /nfs/dbraw/zinc/23/61/35/552236135.db2.gz ZDQAVMFIMXMXCN-UHFFFAOYSA-N 0 0 563.543 4.312 50 5 KIBARN Cc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3C(F)(F)F)n2-c2ccc([N+](=O)[O-])cc2)s1 ZINC000002965846 552236073 /nfs/dbraw/zinc/23/60/73/552236073.db2.gz MBJPEHDYOSJBKP-UHFFFAOYSA-N 0 0 578.558 4.015 50 5 KIBARN O=C(CC[C@@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O)NCc1ccc2c(c1)OCO2 ZINC000002967155 552236408 /nfs/dbraw/zinc/23/64/08/552236408.db2.gz NJDHYWJYDNNYII-QFIPXVFZSA-N 0 0 557.588 4.312 50 5 KIBARN O=C(CC[C@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O)NCc1ccc2c(c1)OCO2 ZINC000002967157 552236423 /nfs/dbraw/zinc/23/64/23/552236423.db2.gz NJDHYWJYDNNYII-JOCHJYFZSA-N 0 0 557.588 4.312 50 5 KIBARN O=C(CC[C@@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O)NCc1ccco1 ZINC000002967554 552237752 /nfs/dbraw/zinc/23/77/52/552237752.db2.gz PJPDLRSSWLICPA-NRFANRHFSA-N 0 0 503.540 4.176 50 5 KIBARN O=C(CC[C@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O)NCc1ccco1 ZINC000002967555 552237748 /nfs/dbraw/zinc/23/77/48/552237748.db2.gz PJPDLRSSWLICPA-OAQYLSRUSA-N 0 0 503.540 4.176 50 5 KIBARN O=C(C[C@@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O)NCc1cccs1 ZINC000002967698 552237891 /nfs/dbraw/zinc/23/78/91/552237891.db2.gz ADMHYVXPWMIIGB-FQEVSTJZSA-N 0 0 505.581 4.255 50 5 KIBARN O=C(C[C@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O)NCc1cccs1 ZINC000002967701 552238314 /nfs/dbraw/zinc/23/83/14/552238314.db2.gz ADMHYVXPWMIIGB-HXUWFJFHSA-N 0 0 505.581 4.255 50 5 KIBARN O=C(C[C@@H]1N=C2c3ccccc3N=C(SCc3ccc([N+](=O)[O-])cc3)N2C1=O)NCc1cccs1 ZINC000002967743 552238236 /nfs/dbraw/zinc/23/82/36/552238236.db2.gz DMCWCVDVHACOOD-FQEVSTJZSA-N 0 0 505.581 4.255 50 5 KIBARN O=C(C[C@H]1N=C2c3ccccc3N=C(SCc3ccc([N+](=O)[O-])cc3)N2C1=O)NCc1cccs1 ZINC000002967744 552238162 /nfs/dbraw/zinc/23/81/62/552238162.db2.gz DMCWCVDVHACOOD-HXUWFJFHSA-N 0 0 505.581 4.255 50 5 KIBARN O=C(C[C@@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O)NCc1ccc(F)cc1 ZINC000002968276 552239854 /nfs/dbraw/zinc/23/98/54/552239854.db2.gz COARDYJORGNYIX-QFIPXVFZSA-N 0 0 517.542 4.332 50 5 KIBARN O=C(C[C@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O)NCc1ccc(F)cc1 ZINC000002968277 552239850 /nfs/dbraw/zinc/23/98/50/552239850.db2.gz COARDYJORGNYIX-JOCHJYFZSA-N 0 0 517.542 4.332 50 5 KIBARN COc1ccc(CNC(=O)C[C@@H]2N=C3c4ccccc4N=C(SCc4cccc([N+](=O)[O-])c4)N3C2=O)cc1 ZINC000002968388 552240492 /nfs/dbraw/zinc/24/04/92/552240492.db2.gz SVAOFOFZEZVUPX-QHCPKHFHSA-N 0 0 529.578 4.202 50 5 KIBARN COc1ccc(CNC(=O)C[C@H]2N=C3c4ccccc4N=C(SCc4cccc([N+](=O)[O-])c4)N3C2=O)cc1 ZINC000002968390 552240385 /nfs/dbraw/zinc/24/03/85/552240385.db2.gz SVAOFOFZEZVUPX-HSZRJFAPSA-N 0 0 529.578 4.202 50 5 KIBARN COc1ccccc1CNC(=O)C[C@@H]1N=C2c3ccccc3N=C(SCc3ccc([N+](=O)[O-])cc3)N2C1=O ZINC000002968523 552241101 /nfs/dbraw/zinc/24/11/01/552241101.db2.gz MKWJPHAMDRBWHX-QFIPXVFZSA-N 0 0 529.578 4.202 50 5 KIBARN COc1ccccc1CNC(=O)C[C@H]1N=C2c3ccccc3N=C(SCc3ccc([N+](=O)[O-])cc3)N2C1=O ZINC000002968525 552241112 /nfs/dbraw/zinc/24/11/12/552241112.db2.gz MKWJPHAMDRBWHX-JOCHJYFZSA-N 0 0 529.578 4.202 50 5 KIBARN O=C(C[C@@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O)NCCc1ccccc1 ZINC000002968687 552242108 /nfs/dbraw/zinc/24/21/08/552242108.db2.gz PXGVPRNZTMBXQO-QHCPKHFHSA-N 0 0 513.579 4.236 50 5 KIBARN O=C(C[C@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O)NCCc1ccccc1 ZINC000002968690 552242123 /nfs/dbraw/zinc/24/21/23/552242123.db2.gz PXGVPRNZTMBXQO-HSZRJFAPSA-N 0 0 513.579 4.236 50 5 KIBARN O=C(C[C@@H]1N=C2c3ccccc3N=C(SCc3ccc([N+](=O)[O-])cc3)N2C1=O)NCCc1ccccc1 ZINC000002968726 552242088 /nfs/dbraw/zinc/24/20/88/552242088.db2.gz PFRWIXJZRKQCRL-QHCPKHFHSA-N 0 0 513.579 4.236 50 5 KIBARN O=C(C[C@H]1N=C2c3ccccc3N=C(SCc3ccc([N+](=O)[O-])cc3)N2C1=O)NCCc1ccccc1 ZINC000002968728 552242135 /nfs/dbraw/zinc/24/21/35/552242135.db2.gz PFRWIXJZRKQCRL-HSZRJFAPSA-N 0 0 513.579 4.236 50 5 KIBARN COc1ccc(CCNC(=O)CSc2nc3ccccc3c3nc(-c4ccc([N+](=O)[O-])cc4)nn32)cc1OC ZINC000002968978 552242189 /nfs/dbraw/zinc/24/21/89/552242189.db2.gz GZTCCHPJAUXEHA-UHFFFAOYSA-N 0 0 544.593 4.321 50 5 KIBARN COc1ccc(CCNC(=O)CSc2nc3ccccc3c3nc(-c4cccc([N+](=O)[O-])c4)nn32)cc1OC ZINC000002969084 552242560 /nfs/dbraw/zinc/24/25/60/552242560.db2.gz DKACJTXPAYZTMY-UHFFFAOYSA-N 0 0 544.593 4.321 50 5 KIBARN COC(=O)c1ccc2c(c1)nc(SCc1cccc([N+](=O)[O-])c1)n(Cc1ccc3c(c1)OCO3)c2=O ZINC000002969845 552243293 /nfs/dbraw/zinc/24/32/93/552243293.db2.gz BRLMDZQTKGORKP-UHFFFAOYSA-N 0 0 505.508 4.161 50 5 KIBARN NC(=O)C1CCN(C(=O)c2ccc3c4nc5ccccc5n4c(SCc4cc(=O)n5cc(Cl)ccc5n4)nc3c2)CC1 ZINC000002970654 552243728 /nfs/dbraw/zinc/24/37/28/552243728.db2.gz WCDBQKCWEQBQIM-UHFFFAOYSA-N 0 0 598.088 4.327 50 5 KIBARN NC(=O)C1CCN(C(=O)c2ccc3c4nc5ccccc5n4c(SCC(=O)c4ccccc4)nc3c2)CC1 ZINC000002970656 552243765 /nfs/dbraw/zinc/24/37/65/552243765.db2.gz UVKUFWQHPZQZTO-UHFFFAOYSA-N 0 0 523.618 4.348 50 5 KIBARN COC(=O)c1ccc2c(c1)nc(SCc1ccc([N+](=O)[O-])cc1)n(Cc1ccc3c(c1)OCO3)c2=O ZINC000002974016 552245958 /nfs/dbraw/zinc/24/59/58/552245958.db2.gz UDFMDUHGYTWYAH-UHFFFAOYSA-N 0 0 505.508 4.161 50 5 KIBARN COc1ccc(CNC(=O)CCCn2c(=O)c3cc4c(cc3nc2SCc2cccc([N+](=O)[O-])c2)OCO4)cc1 ZINC000002975615 552247224 /nfs/dbraw/zinc/24/72/24/552247224.db2.gz NVPONHUJBFPEFS-UHFFFAOYSA-N 0 0 562.604 4.431 50 5 KIBARN COc1ccc(CNC(=O)CCCn2c(=O)c3cc4c(cc3nc2SCc2ccc([N+](=O)[O-])cc2)OCO4)cc1 ZINC000002975617 552247201 /nfs/dbraw/zinc/24/72/01/552247201.db2.gz WOOWQBGNGOSQHO-UHFFFAOYSA-N 0 0 562.604 4.431 50 5 KIBARN O=C(CCCn1c(=O)c2cc3c(cc2nc1SCc1cccc([N+](=O)[O-])c1)OCO3)NCc1ccc2c(c1)OCO2 ZINC000002975640 552247384 /nfs/dbraw/zinc/24/73/84/552247384.db2.gz XZYDKHJLSMBGCX-UHFFFAOYSA-N 0 0 576.587 4.151 50 5 KIBARN O=C(CCCn1c(=O)c2cc3c(cc2nc1SCc1ccc([N+](=O)[O-])cc1)OCO3)NCc1ccc2c(c1)OCO2 ZINC000002975641 552247373 /nfs/dbraw/zinc/24/73/73/552247373.db2.gz NHELRXCURCKASD-UHFFFAOYSA-N 0 0 576.587 4.151 50 5 KIBARN COc1ccc(Cn2c(=O)c3cc(N4CCOCC4)ccc3nc2SCc2cccc([N+](=O)[O-])c2)cc1 ZINC000002976124 552248518 /nfs/dbraw/zinc/24/85/18/552248518.db2.gz LLFXVEVBPZOMDK-UHFFFAOYSA-N 0 0 518.595 4.491 50 5 KIBARN COc1ccc(Cn2c(=O)c3cc(N4CCOCC4)ccc3nc2SCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000002976155 552248710 /nfs/dbraw/zinc/24/87/10/552248710.db2.gz ZQDYWELHLINUPH-UHFFFAOYSA-N 0 0 518.595 4.491 50 5 KIBARN O=c1c2cc(N3CCOCC3)ccc2nc(SCc2cccc([N+](=O)[O-])c2)n1Cc1ccc2c(c1)OCO2 ZINC000002976187 552248704 /nfs/dbraw/zinc/24/87/04/552248704.db2.gz PXLCLTBVUOPNLU-UHFFFAOYSA-N 0 0 532.578 4.211 50 5 KIBARN O=c1c2cc(N3CCOCC3)ccc2nc(SCc2ccc([N+](=O)[O-])cc2)n1Cc1ccc2c(c1)OCO2 ZINC000002976231 552248996 /nfs/dbraw/zinc/24/89/96/552248996.db2.gz WCVLNZMWYISZJD-UHFFFAOYSA-N 0 0 532.578 4.211 50 5 KIBARN CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000002980001 552249652 /nfs/dbraw/zinc/24/96/52/552249652.db2.gz GKPZNXGVZDSGHU-AREMUKBSSA-N 0 0 583.663 4.461 50 5 KIBARN CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000002980002 552249720 /nfs/dbraw/zinc/24/97/20/552249720.db2.gz GKPZNXGVZDSGHU-SANMLTNESA-N 0 0 583.663 4.461 50 5 KIBARN COc1cc2c(cc1OC)[C@@H](COc1ccc([N+](=O)[O-])cc1)N(C(=O)c1cc(OC)c(OC)c(OC)c1)CC2 ZINC000002980003 552249697 /nfs/dbraw/zinc/24/96/97/552249697.db2.gz ULMGCZAVGJUQNW-JOCHJYFZSA-N 0 0 538.553 4.456 50 5 KIBARN COc1cc2c(cc1OC)[C@H](COc1ccc([N+](=O)[O-])cc1)N(C(=O)c1cc(OC)c(OC)c(OC)c1)CC2 ZINC000002980005 552249681 /nfs/dbraw/zinc/24/96/81/552249681.db2.gz ULMGCZAVGJUQNW-QFIPXVFZSA-N 0 0 538.553 4.456 50 5 KIBARN COc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2COc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000002980134 552249977 /nfs/dbraw/zinc/24/99/77/552249977.db2.gz OITDXCIKAYUBTB-JOCHJYFZSA-N 0 0 508.527 4.448 50 5 KIBARN COc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2COc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000002980136 552249957 /nfs/dbraw/zinc/24/99/57/552249957.db2.gz OITDXCIKAYUBTB-QFIPXVFZSA-N 0 0 508.527 4.448 50 5 KIBARN COc1ccc(CC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2COc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000002980207 552250183 /nfs/dbraw/zinc/25/01/83/552250183.db2.gz ZGCCYZWLQOCUNW-HSZRJFAPSA-N 0 0 522.554 4.377 50 5 KIBARN COc1ccc(CC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2COc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000002980209 552250174 /nfs/dbraw/zinc/25/01/74/552250174.db2.gz ZGCCYZWLQOCUNW-QHCPKHFHSA-N 0 0 522.554 4.377 50 5 KIBARN COC(=O)c1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000002980278 552250148 /nfs/dbraw/zinc/25/01/48/552250148.db2.gz WRFIITYHGCFSNY-HSZRJFAPSA-N 0 0 506.511 4.217 50 5 KIBARN COC(=O)c1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000002980280 552250144 /nfs/dbraw/zinc/25/01/44/552250144.db2.gz WRFIITYHGCFSNY-QHCPKHFHSA-N 0 0 506.511 4.217 50 5 KIBARN COC(=O)c1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002980282 552250157 /nfs/dbraw/zinc/25/01/57/552250157.db2.gz ICIYZDKXVBAABD-HSZRJFAPSA-N 0 0 506.511 4.217 50 5 KIBARN COC(=O)c1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002980284 552250222 /nfs/dbraw/zinc/25/02/22/552250222.db2.gz ICIYZDKXVBAABD-QHCPKHFHSA-N 0 0 506.511 4.217 50 5 KIBARN COC(=O)c1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000002980331 552250178 /nfs/dbraw/zinc/25/01/78/552250178.db2.gz FYCUIGUDQVYXNG-HSZRJFAPSA-N 0 0 506.511 4.217 50 5 KIBARN COC(=O)c1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000002980333 552250167 /nfs/dbraw/zinc/25/01/67/552250167.db2.gz FYCUIGUDQVYXNG-QHCPKHFHSA-N 0 0 506.511 4.217 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1OC ZINC000002987158 552250680 /nfs/dbraw/zinc/25/06/80/552250680.db2.gz IEKSKWSBHXDRAC-RISWYLRJSA-N 0 0 559.600 4.284 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000002987290 1064284532 /nfs/dbraw/zinc/28/45/32/1064284532.db2.gz KRPDCFNJERMRMU-MFCBUNOESA-N 0 0 589.626 4.292 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000002987292 1064284494 /nfs/dbraw/zinc/28/44/94/1064284494.db2.gz KRPDCFNJERMRMU-SUAMDDGLSA-N 0 0 589.626 4.292 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000002987321 1064284824 /nfs/dbraw/zinc/28/48/24/1064284824.db2.gz RRWBFSXSEVPFBC-GJFKPFFXSA-N 0 0 529.574 4.275 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000002987323 1064284092 /nfs/dbraw/zinc/28/40/92/1064284092.db2.gz RRWBFSXSEVPFBC-LWUPDDLQSA-N 0 0 529.574 4.275 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000002992236 552250939 /nfs/dbraw/zinc/25/09/39/552250939.db2.gz UWDSRUBAXHRKDZ-QHZSLAKNSA-N 0 0 587.610 4.312 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000002992333 1064284440 /nfs/dbraw/zinc/28/44/40/1064284440.db2.gz YOCNBPGVSRSGRT-MFCBUNOESA-N 0 0 589.626 4.292 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000002992335 1064284955 /nfs/dbraw/zinc/28/49/55/1064284955.db2.gz YOCNBPGVSRSGRT-SUAMDDGLSA-N 0 0 589.626 4.292 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000002992503 552251118 /nfs/dbraw/zinc/25/11/18/552251118.db2.gz GDEUQCDSFAHFIJ-MFCBUNOESA-N 0 0 589.626 4.292 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000002992505 552251161 /nfs/dbraw/zinc/25/11/61/552251161.db2.gz GDEUQCDSFAHFIJ-SUAMDDGLSA-N 0 0 589.626 4.292 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000002992527 1064284802 /nfs/dbraw/zinc/28/48/02/1064284802.db2.gz MNINVTIANBBFOP-MFCBUNOESA-N 0 0 589.626 4.292 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000002992529 1064284640 /nfs/dbraw/zinc/28/46/40/1064284640.db2.gz MNINVTIANBBFOP-SUAMDDGLSA-N 0 0 589.626 4.292 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000002992538 552251377 /nfs/dbraw/zinc/25/13/77/552251377.db2.gz UCXZMHDXGFWISP-MFCBUNOESA-N 0 0 589.626 4.292 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000002992540 552251398 /nfs/dbraw/zinc/25/13/98/552251398.db2.gz UCXZMHDXGFWISP-SUAMDDGLSA-N 0 0 589.626 4.292 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000002997221 552251849 /nfs/dbraw/zinc/25/18/49/552251849.db2.gz LDVVWYMINSCLIF-RISWYLRJSA-N 0 0 559.600 4.284 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000002997250 1064284071 /nfs/dbraw/zinc/28/40/71/1064284071.db2.gz NIPAKBZNERTVOE-NFYDWNOTSA-N 0 0 573.583 4.004 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000002997388 552252026 /nfs/dbraw/zinc/25/20/26/552252026.db2.gz ZLAFFWHMZKTOCM-VPVLBGOXSA-N 0 0 594.001 4.349 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000002997390 552252103 /nfs/dbraw/zinc/25/21/03/552252103.db2.gz ZLAFFWHMZKTOCM-UTWPHBJQSA-N 0 0 594.001 4.349 50 5 KIBARN O=C(CC(=O)Nc1ccc2c3ccc([N+](=O)[O-])cc3cc-2[nH]1)Nc1ccc2c(n1)Cc1cc([N+](=O)[O-])ccc1-2 ZINC000003001676 1064284915 /nfs/dbraw/zinc/28/49/15/1064284915.db2.gz ZZASORUQBXWKDU-UHFFFAOYSA-N 0 0 522.477 4.403 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000003001862 1064284255 /nfs/dbraw/zinc/28/42/55/1064284255.db2.gz ABBAZYPKNHJVNC-MFCBUNOESA-N 0 0 589.626 4.292 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000003001863 1064284569 /nfs/dbraw/zinc/28/45/69/1064284569.db2.gz ABBAZYPKNHJVNC-SUAMDDGLSA-N 0 0 589.626 4.292 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000003001883 552252225 /nfs/dbraw/zinc/25/22/25/552252225.db2.gz ZCMHPYCETDWTPB-ZFWDJNJRSA-N 0 0 573.583 4.004 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000003001885 552252235 /nfs/dbraw/zinc/25/22/35/552252235.db2.gz ZCMHPYCETDWTPB-NFYDWNOTSA-N 0 0 573.583 4.004 50 5 KIBARN COc1cc(OC)cc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2COc2ccc([N+](=O)[O-])cc2)c1 ZINC000003005753 552252514 /nfs/dbraw/zinc/25/25/14/552252514.db2.gz DFAGKTZBHRCVCH-XMMPIXPASA-N 0 0 508.527 4.448 50 5 KIBARN COc1cc(OC)cc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2COc2ccc([N+](=O)[O-])cc2)c1 ZINC000003005754 552252531 /nfs/dbraw/zinc/25/25/31/552252531.db2.gz DFAGKTZBHRCVCH-DEOSSOPVSA-N 0 0 508.527 4.448 50 5 KIBARN O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CS(=O)(=O)C2)C1(c2ccc(Cl)cc2)CCCC1 ZINC000003009207 552255965 /nfs/dbraw/zinc/25/59/65/552255965.db2.gz WJLVMMAICMSQJZ-UHFFFAOYSA-N 0 0 500.964 4.313 50 5 KIBARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CS(=O)(=O)C2 ZINC000003009209 552256191 /nfs/dbraw/zinc/25/61/91/552256191.db2.gz WYSQTRUSOHHAEZ-UHFFFAOYSA-N 0 0 513.919 4.078 50 5 KIBARN O=C(Oc1ccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000003014139 552260528 /nfs/dbraw/zinc/26/05/28/552260528.db2.gz PFONGNDBZJRXAU-UHFFFAOYSA-N 0 0 512.228 4.285 50 5 KIBARN Cc1cccc(CS(=O)(=O)c2ccc(C(=O)N3CCN(c4cccc(C)c4C)CC3)cc2[N+](=O)[O-])c1 ZINC000003019880 552263613 /nfs/dbraw/zinc/26/36/13/552263613.db2.gz LBQYPJRCAYOVJV-UHFFFAOYSA-N 0 0 507.612 4.456 50 5 KIBARN O=C(c1ccc(S(=O)(=O)c2ccc(Br)cc2)c([N+](=O)[O-])c1)N1CCN(c2ccc(F)cc2)CC1 ZINC000003020347 552263617 /nfs/dbraw/zinc/26/36/17/552263617.db2.gz YRBCZFNBAFFDAE-UHFFFAOYSA-N 0 0 548.390 4.292 50 5 KIBARN O=C(c1ccc(S(=O)(=O)c2cccc(Cl)c2)c([N+](=O)[O-])c1)N1CCN(c2ccc(F)cc2)CC1 ZINC000003020355 552263590 /nfs/dbraw/zinc/26/35/90/552263590.db2.gz GAEBRBMVEHFHJR-UHFFFAOYSA-N 0 0 503.939 4.183 50 5 KIBARN O=C(CSc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1[N+](=O)[O-])N1CCC2(CC1)OCCO2 ZINC000003020719 552263656 /nfs/dbraw/zinc/26/36/56/552263656.db2.gz ZQFBNISDGXELOP-UHFFFAOYSA-N 0 0 525.505 4.324 50 5 KIBARN O=C(CSc1ccc(C(=O)Nc2ccc(Cl)cc2F)cc1[N+](=O)[O-])N1CCC2(CC1)OCCO2 ZINC000003021091 552263847 /nfs/dbraw/zinc/26/38/47/552263847.db2.gz LHFXUSGBZKNCAQ-UHFFFAOYSA-N 0 0 509.943 4.097 50 5 KIBARN Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000003037101 552271541 /nfs/dbraw/zinc/27/15/41/552271541.db2.gz OXYUSYVDYMFJAQ-ZDUSSCGKSA-N 0 0 515.579 4.397 50 5 KIBARN O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c32)C(=O)N1c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000003044937 552275700 /nfs/dbraw/zinc/27/57/00/552275700.db2.gz CMOLNHCMNGXWHE-UHFFFAOYSA-N 0 0 518.463 4.258 50 5 KIBARN COc1ccc(NS(=O)(=O)c2ccc(N3C(=O)c4cc([N+](=O)[O-])cc5cc([N+](=O)[O-])cc(c54)C3=O)cc2)cc1 ZINC000003044944 552275579 /nfs/dbraw/zinc/27/55/79/552275579.db2.gz ZJYKGQXTXPLLIW-UHFFFAOYSA-N 0 0 548.489 4.266 50 5 KIBARN COc1ccc([N+](=O)[O-])cc1NC(=S)N[C@@H](NC(=O)c1ccccc1OC)C(Cl)(Cl)Cl ZINC000003051557 552277598 /nfs/dbraw/zinc/27/75/98/552277598.db2.gz CHELDOOMIAJGRY-MRXNPFEDSA-N 0 0 507.783 4.025 50 5 KIBARN COc1ccc([N+](=O)[O-])cc1NC(=S)N[C@H](NC(=O)c1ccccc1OC)C(Cl)(Cl)Cl ZINC000003051559 552277526 /nfs/dbraw/zinc/27/75/26/552277526.db2.gz CHELDOOMIAJGRY-INIZCTEOSA-N 0 0 507.783 4.025 50 5 KIBARN COc1cccc(C(=O)N[C@H](NC(=S)Nc2cc([N+](=O)[O-])ccc2OC)C(Cl)(Cl)Cl)c1 ZINC000003051629 552277876 /nfs/dbraw/zinc/27/78/76/552277876.db2.gz JIGWJIYMRDMPSE-MRXNPFEDSA-N 0 0 507.783 4.025 50 5 KIBARN COc1cccc(C(=O)N[C@@H](NC(=S)Nc2cc([N+](=O)[O-])ccc2OC)C(Cl)(Cl)Cl)c1 ZINC000003051632 552277846 /nfs/dbraw/zinc/27/78/46/552277846.db2.gz JIGWJIYMRDMPSE-INIZCTEOSA-N 0 0 507.783 4.025 50 5 KIBARN Cc1ccccc1NC(=S)N[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(Cl)(Cl)Cl ZINC000003103692 552288493 /nfs/dbraw/zinc/28/84/93/552288493.db2.gz VDLAIKSVPAQVAD-HNNXBMFYSA-N 0 0 506.755 4.224 50 5 KIBARN Cc1ccccc1NC(=S)N[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(Cl)(Cl)Cl ZINC000003103693 552288541 /nfs/dbraw/zinc/28/85/41/552288541.db2.gz VDLAIKSVPAQVAD-OAHLLOKOSA-N 0 0 506.755 4.224 50 5 KIBARN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000003106230 552289060 /nfs/dbraw/zinc/28/90/60/552289060.db2.gz MWHJKFLFKLLDCC-FCXRPNKRSA-N 0 0 505.314 4.207 50 5 KIBARN COc1ccc([N+](=O)[O-])cc1NC(=S)N[C@H](NC(=O)c1ccc(OC)c(OC)c1)C(Cl)(Cl)Cl ZINC000003137462 552293769 /nfs/dbraw/zinc/29/37/69/552293769.db2.gz GHJMTQCBNKHFMC-KRWDZBQOSA-N 0 0 537.809 4.033 50 5 KIBARN COc1ccc([N+](=O)[O-])cc1NC(=S)N[C@@H](NC(=O)c1ccc(OC)c(OC)c1)C(Cl)(Cl)Cl ZINC000003137463 552293761 /nfs/dbraw/zinc/29/37/61/552293761.db2.gz GHJMTQCBNKHFMC-QGZVFWFLSA-N 0 0 537.809 4.033 50 5 KIBARN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1cccc2c1cccc2N1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000003142771 552295053 /nfs/dbraw/zinc/29/50/53/552295053.db2.gz AIPJNXMCDNKUTB-UHFFFAOYSA-N 0 0 508.402 4.257 50 5 KIBARN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc(OC(F)(F)C(F)F)c(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 ZINC000003142792 552295011 /nfs/dbraw/zinc/29/50/11/552295011.db2.gz NREKBJQZTPVPBZ-UHFFFAOYSA-N 0 0 574.355 4.341 50 5 KIBARN COCCn1c2nc3ccccc3nc2c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003165391 552298004 /nfs/dbraw/zinc/29/80/04/552298004.db2.gz RWOLXRDHFVRUFZ-UHFFFAOYSA-N 0 0 590.574 4.441 50 5 KIBARN O=C(Oc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1ccc(I)cc1)C2=O ZINC000003196072 552303281 /nfs/dbraw/zinc/30/32/81/552303281.db2.gz VZKXSSSXLCFTIV-UHFFFAOYSA-N 0 0 514.231 4.219 50 5 KIBARN COc1ccc(CCn2cnc3c(c4nc5ccccc5nc4n3Cc3ccc4c(c3)OCO4)c2=O)cc1 ZINC000003211995 552305487 /nfs/dbraw/zinc/30/54/87/552305487.db2.gz NBOKQRYSWXCNSW-UHFFFAOYSA-N 0 0 505.534 4.323 50 5 KIBARN O=C(CSc1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2F)s1)Nc1cc([N+](=O)[O-])ccc1F ZINC000003226067 552312766 /nfs/dbraw/zinc/31/27/66/552312766.db2.gz MNMDEMQOPJVMAH-UHFFFAOYSA-N 0 0 542.527 4.094 50 5 KIBARN O=C(C=Cc1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)OCC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000003233434 552316036 /nfs/dbraw/zinc/31/60/36/552316036.db2.gz SJDKZAUCOFLRDF-ZRDIBKRKSA-N 0 0 524.489 4.218 50 5 KIBARN O=C(COC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000003240689 552318599 /nfs/dbraw/zinc/31/85/99/552318599.db2.gz VOVVDMYSLLJRJP-UHFFFAOYSA-N 0 0 519.329 4.198 50 5 KIBARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)OCC(=O)Nc1ccc2c(c1)OCO2 ZINC000003250233 552321889 /nfs/dbraw/zinc/32/18/89/552321889.db2.gz PUAPFMFPUKQQHL-FMIVXFBMSA-N 0 0 512.478 4.371 50 5 KIBARN CC(C)N(c1ccccc1)c1ccc(NC(=O)COC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000003253881 552323644 /nfs/dbraw/zinc/32/36/44/552323644.db2.gz NKFZBEXEQQQAGX-UHFFFAOYSA-N 0 0 530.537 4.309 50 5 KIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1C ZINC000003258724 552324803 /nfs/dbraw/zinc/32/48/03/552324803.db2.gz ACISRDAXLCKHOT-HNNXBMFYSA-N 0 0 531.518 4.036 50 5 KIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1C ZINC000003258726 552325039 /nfs/dbraw/zinc/32/50/39/552325039.db2.gz ACISRDAXLCKHOT-OAHLLOKOSA-N 0 0 531.518 4.036 50 5 KIBARN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000003262477 552327021 /nfs/dbraw/zinc/32/70/21/552327021.db2.gz ALUSWJMJBAJVQB-UHFFFAOYSA-N 0 0 572.646 4.352 50 5 KIBARN O=C(COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000003269466 552331284 /nfs/dbraw/zinc/33/12/84/552331284.db2.gz JMPWKQNZCSKAGD-QHCPKHFHSA-N 0 0 505.914 4.497 50 5 KIBARN COc1cc(/C=C2/N=C(c3cccc(Cl)c3)OC2=O)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000003272124 552332365 /nfs/dbraw/zinc/33/23/65/552332365.db2.gz ZWECHDATPBNSFE-VXLYETTFSA-N 0 0 514.899 4.369 50 5 KIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000003280735 552335848 /nfs/dbraw/zinc/33/58/48/552335848.db2.gz GVNYJPRGJZDIDA-HGZMWJMZSA-N 0 0 513.510 4.435 50 5 KIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000003280740 552335873 /nfs/dbraw/zinc/33/58/73/552335873.db2.gz GVNYJPRGJZDIDA-LVMGUKCRSA-N 0 0 513.510 4.435 50 5 KIBARN Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)n1 ZINC000003288294 552338925 /nfs/dbraw/zinc/33/89/25/552338925.db2.gz TVTMQDNZXBOLCD-UHFFFAOYSA-N 0 0 514.585 4.143 50 5 KIBARN Cc1ccc(C)c(NC(=O)[C@H](OC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c2ccccc2)c1 ZINC000003289063 552339450 /nfs/dbraw/zinc/33/94/50/552339450.db2.gz NTYDHDOLNGGPST-XMMPIXPASA-N 0 0 501.495 4.121 50 5 KIBARN Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c2ccccc2)c1 ZINC000003289065 552339477 /nfs/dbraw/zinc/33/94/77/552339477.db2.gz NTYDHDOLNGGPST-DEOSSOPVSA-N 0 0 501.495 4.121 50 5 KIBARN C[C@H](OC(=O)c1cccnc1SCC(=O)Nc1ccc2c(c1)OCO2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003298670 552344931 /nfs/dbraw/zinc/34/49/31/552344931.db2.gz MRAHQHDJMWNTAZ-ZDUSSCGKSA-N 0 0 558.956 4.287 50 5 KIBARN C[C@@H](OC(=O)c1cccnc1SCC(=O)Nc1ccc2c(c1)OCO2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003298673 552344900 /nfs/dbraw/zinc/34/49/00/552344900.db2.gz MRAHQHDJMWNTAZ-CYBMUJFWSA-N 0 0 558.956 4.287 50 5 KIBARN Cc1c(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C ZINC000003300265 552345654 /nfs/dbraw/zinc/34/56/54/552345654.db2.gz SYEYFQKBWXQTOY-UHFFFAOYSA-N 0 0 548.939 4.073 50 5 KIBARN COc1cc(N2C(=O)c3ccccc3C2=O)c(Cl)cc1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000003304084 552347810 /nfs/dbraw/zinc/34/78/10/552347810.db2.gz OKMSZNLKJBUPOC-UHFFFAOYSA-N 0 0 524.869 4.281 50 5 KIBARN Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1c2ccccc2n(C)c1-c1ccccc1 ZINC000003305652 552348982 /nfs/dbraw/zinc/34/89/82/552348982.db2.gz UXRBRKGMNWOJHK-UHFFFAOYSA-N 0 0 528.550 4.468 50 5 KIBARN CC[C@@H](C)n1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000003307522 552349742 /nfs/dbraw/zinc/34/97/42/552349742.db2.gz SKHDLNYDDRPIDZ-QGZVFWFLSA-N 0 0 517.633 4.138 50 5 KIBARN CC[C@H](C)n1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000003307523 552349829 /nfs/dbraw/zinc/34/98/29/552349829.db2.gz SKHDLNYDDRPIDZ-KRWDZBQOSA-N 0 0 517.633 4.138 50 5 KIBARN CCC[C@@H](CNC(=O)COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl ZINC000003308685 552350005 /nfs/dbraw/zinc/35/00/05/552350005.db2.gz UWWVDJYUGKYFSG-AWEZNQCLSA-N 0 0 517.387 4.162 50 5 KIBARN CCC[C@H](CNC(=O)COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl ZINC000003308686 552350008 /nfs/dbraw/zinc/35/00/08/552350008.db2.gz UWWVDJYUGKYFSG-CQSZACIVSA-N 0 0 517.387 4.162 50 5 KIBARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)cc2)cc1 ZINC000003311303 552352002 /nfs/dbraw/zinc/35/20/02/552352002.db2.gz PFSAQTBTIJUORS-UHFFFAOYSA-N 0 0 539.595 4.227 50 5 KIBARN Cc1ccc(NC(=O)COC(=O)c2ccccc2OCC(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000003321674 552355531 /nfs/dbraw/zinc/35/55/31/552355531.db2.gz BMYTWCCECVHYNH-UHFFFAOYSA-N 0 0 542.342 4.479 50 5 KIBARN COc1cc(/C=C2/N=C(c3ccccc3Cl)OC2=O)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000003323662 552356333 /nfs/dbraw/zinc/35/63/33/552356333.db2.gz HXHUYZFVAIKJIS-YBFXNURJSA-N 0 0 514.899 4.369 50 5 KIBARN C[C@H](SCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000003324707 552356548 /nfs/dbraw/zinc/35/65/48/552356548.db2.gz ZTSXUVQGJWQBHE-LBPRGKRZSA-N 0 0 527.584 4.187 50 5 KIBARN C[C@@H](SCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000003324708 552356551 /nfs/dbraw/zinc/35/65/51/552356551.db2.gz ZTSXUVQGJWQBHE-GFCCVEGCSA-N 0 0 527.584 4.187 50 5 KIBARN CCOc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)Nc4ccc(Cl)c([N+](=O)[O-])c4)cc3C2=O)cc1 ZINC000003334887 552360832 /nfs/dbraw/zinc/36/08/32/552360832.db2.gz NNDJEUQIWSWTBZ-UHFFFAOYSA-N 0 0 523.885 4.243 50 5 KIBARN CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000003337585 552361678 /nfs/dbraw/zinc/36/16/78/552361678.db2.gz BBQMEWHRTBABLZ-UHFFFAOYSA-N 0 0 546.579 4.007 50 5 KIBARN CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003348107 552366013 /nfs/dbraw/zinc/36/60/13/552366013.db2.gz CPHFCJSSVZLYKW-UHFFFAOYSA-N 0 0 521.913 4.400 50 5 KIBARN COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)oc1ccccc12 ZINC000003351691 552367381 /nfs/dbraw/zinc/36/73/81/552367381.db2.gz FJWDOJIVUQUYEO-ZDUSSCGKSA-N 0 0 512.496 4.090 50 5 KIBARN COc1cc2c(cc1NC(=O)[C@@H](C)OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)oc1ccccc12 ZINC000003351692 552367301 /nfs/dbraw/zinc/36/73/01/552367301.db2.gz FJWDOJIVUQUYEO-CYBMUJFWSA-N 0 0 512.496 4.090 50 5 KIBARN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCc1cc(=O)oc2cc(C)ccc12 ZINC000003356163 552369277 /nfs/dbraw/zinc/36/92/77/552369277.db2.gz RDLDPAWELCVFNL-LJQANCHMSA-N 0 0 504.948 4.258 50 5 KIBARN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCc1cc(=O)oc2cc(C)ccc12 ZINC000003356164 552369326 /nfs/dbraw/zinc/36/93/26/552369326.db2.gz RDLDPAWELCVFNL-IBGZPJMESA-N 0 0 504.948 4.258 50 5 KIBARN CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)ccc1C ZINC000003361288 552371239 /nfs/dbraw/zinc/37/12/39/552371239.db2.gz PBVJHGAECXSHFQ-SFHVURJKSA-N 0 0 541.582 4.311 50 5 KIBARN CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)ccc1C ZINC000003361292 552371251 /nfs/dbraw/zinc/37/12/51/552371251.db2.gz PBVJHGAECXSHFQ-GOSISDBHSA-N 0 0 541.582 4.311 50 5 KIBARN Cc1csc(Sc2ccc(C(=O)OCC(=O)N3c4ccccc4NC(=O)C3(C)C)cc2[N+](=O)[O-])n1 ZINC000003362754 552371989 /nfs/dbraw/zinc/37/19/89/552371989.db2.gz BEEJPMKPSGNZRL-UHFFFAOYSA-N 0 0 512.569 4.432 50 5 KIBARN COc1cc(OC)c(N(C)S(=O)(=O)c2cccc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1Cl ZINC000003363141 552372180 /nfs/dbraw/zinc/37/21/80/552372180.db2.gz FQXWFOFRQUTNKG-UHFFFAOYSA-N 0 0 548.957 4.130 50 5 KIBARN Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)c4ccc(S(C)(=O)=O)c([N+](=O)[O-])c4)cc3)sc2c1 ZINC000003371623 552375251 /nfs/dbraw/zinc/37/52/51/552375251.db2.gz ZVBQAGAESBNINZ-UHFFFAOYSA-N 0 0 525.564 4.379 50 5 KIBARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCc1cc(=O)oc2ccc3ccccc3c12 ZINC000003376736 552376620 /nfs/dbraw/zinc/37/66/20/552376620.db2.gz OHISOEMLEGJURE-KOEDOTQGSA-N 0 0 512.971 4.221 50 5 KIBARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCc1cc(=O)oc2ccc3ccccc3c12 ZINC000003376739 552376615 /nfs/dbraw/zinc/37/66/15/552376615.db2.gz OHISOEMLEGJURE-PDFOZTTASA-N 0 0 512.971 4.221 50 5 KIBARN O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc3C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000003378778 552377375 /nfs/dbraw/zinc/37/73/75/552377375.db2.gz QYZININBWBCTTC-UHFFFAOYSA-N 0 0 514.943 4.035 50 5 KIBARN COc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1OC ZINC000003379193 552377608 /nfs/dbraw/zinc/37/76/08/552377608.db2.gz RORXDXSBHNBZLA-UHFFFAOYSA-N 0 0 510.503 4.181 50 5 KIBARN Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)c2ccc(Cl)cc2)c1 ZINC000003383999 552378670 /nfs/dbraw/zinc/37/86/70/552378670.db2.gz NQRWAZFGTCXHNC-UHFFFAOYSA-N 0 0 513.359 4.089 50 5 KIBARN Cn1cccc1C(=O)NC(=O)COC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000003392830 552379589 /nfs/dbraw/zinc/37/95/89/552379589.db2.gz LUGQBAXAUZNCAT-UHFFFAOYSA-N 0 0 507.446 4.217 50 5 KIBARN COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)oc1ccccc12 ZINC000003421561 552383633 /nfs/dbraw/zinc/38/36/33/552383633.db2.gz LJMDPTVKSRCAFB-HNNXBMFYSA-N 0 0 505.483 4.193 50 5 KIBARN COc1cc2c(cc1NC(=O)[C@@H](C)OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)oc1ccccc12 ZINC000003421564 552383611 /nfs/dbraw/zinc/38/36/11/552383611.db2.gz LJMDPTVKSRCAFB-OAHLLOKOSA-N 0 0 505.483 4.193 50 5 KIBARN COc1cc(C(=O)OCC(=O)Nc2sccc2C(N)=O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000003433265 552385812 /nfs/dbraw/zinc/38/58/12/552385812.db2.gz VORAYLCARWVJPK-UHFFFAOYSA-N 0 0 505.892 4.005 50 5 KIBARN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)c1ccc(Br)s1 ZINC000003459829 552389959 /nfs/dbraw/zinc/38/99/59/552389959.db2.gz LZKDCNQINGYVDW-ZDUSSCGKSA-N 0 0 535.825 4.350 50 5 KIBARN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)c1ccc(Br)s1 ZINC000003459831 552390019 /nfs/dbraw/zinc/39/00/19/552390019.db2.gz LZKDCNQINGYVDW-CYBMUJFWSA-N 0 0 535.825 4.350 50 5 KIBARN O=C(CCN1CCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000003491382 552390391 /nfs/dbraw/zinc/39/03/91/552390391.db2.gz YFSHCQYJBVXADS-UHFFFAOYSA-N 0 0 551.246 4.243 50 5 KIBARN Cc1[nH]c2ccccc2c1CCNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000003627016 552395867 /nfs/dbraw/zinc/39/58/67/552395867.db2.gz DNWQQEPLGRYLOE-CFRMEGHHSA-N 0 0 512.522 4.243 50 5 KIBARN Cc1cc(N2CCN(c3ncccn3)CC2)nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc12 ZINC000003650035 552401559 /nfs/dbraw/zinc/40/15/59/552401559.db2.gz MDHONNPXTNSTTO-UHFFFAOYSA-N 0 0 503.950 4.474 50 5 KIBARN O=C(C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(Br)cc1 ZINC000003662623 552407755 /nfs/dbraw/zinc/40/77/55/552407755.db2.gz JYVNXRSFTSJDSW-HXUWFJFHSA-N 0 0 509.316 4.354 50 5 KIBARN O=C(C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(Br)cc1 ZINC000003662624 552407834 /nfs/dbraw/zinc/40/78/34/552407834.db2.gz JYVNXRSFTSJDSW-FQEVSTJZSA-N 0 0 509.316 4.354 50 5 KIBARN CCOc1cc(C(=S)N2CCOCC2)cc(Br)c1OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000003669320 552410718 /nfs/dbraw/zinc/41/07/18/552410718.db2.gz ZCLMLCZEQSWHRS-UHFFFAOYSA-N 0 0 554.375 4.200 50 5 KIBARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000003771192 552416292 /nfs/dbraw/zinc/41/62/92/552416292.db2.gz DMJPLWKVOHFKPX-QNCNLXEUSA-N 0 0 535.965 4.090 50 5 KIBARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000003771194 552416290 /nfs/dbraw/zinc/41/62/90/552416290.db2.gz DMJPLWKVOHFKPX-SCFJIEIRSA-N 0 0 535.965 4.090 50 5 KIBARN COc1ccc(C(=O)N[C@H](NC(=S)Nc2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)cc1OC ZINC000003878074 552421762 /nfs/dbraw/zinc/42/17/62/552421762.db2.gz VSGTXUGHTYTLCN-MRXNPFEDSA-N 0 0 507.783 4.025 50 5 KIBARN COc1ccc(C(=O)N[C@@H](NC(=S)Nc2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)cc1OC ZINC000003878075 552421767 /nfs/dbraw/zinc/42/17/67/552421767.db2.gz VSGTXUGHTYTLCN-INIZCTEOSA-N 0 0 507.783 4.025 50 5 KIBARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1Br)C2=O)c1ccccc1 ZINC000004084474 552434420 /nfs/dbraw/zinc/43/44/20/552434420.db2.gz FCDAZZNDAGQDMQ-UHFFFAOYSA-N 0 0 509.268 4.198 50 5 KIBARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O)c1ccc(Br)cc1 ZINC000004084549 552434370 /nfs/dbraw/zinc/43/43/70/552434370.db2.gz MKPDWNIABMOCJI-UHFFFAOYSA-N 0 0 509.268 4.198 50 5 KIBARN O=C(CCC(=O)OCC(=O)c1ccc(Br)cc1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000004084566 552434437 /nfs/dbraw/zinc/43/44/37/552434437.db2.gz FOFNRZSKFUZLGF-UHFFFAOYSA-N 0 0 514.126 4.265 50 5 KIBARN CCOc1cc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc(OCC)c1OCC ZINC000004089873 552434958 /nfs/dbraw/zinc/43/49/58/552434958.db2.gz UQILZDDJDIFFFW-UHFFFAOYSA-N 0 0 537.038 4.281 50 5 KIBARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@@H](C)c4ccccc4)c3)CC2)cc1 ZINC000004091905 552435847 /nfs/dbraw/zinc/43/58/47/552435847.db2.gz PQZCDQSCJVQSTE-IBGZPJMESA-N 0 0 523.615 4.237 50 5 KIBARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@H](C)c4ccccc4)c3)CC2)cc1 ZINC000004091906 552435851 /nfs/dbraw/zinc/43/58/51/552435851.db2.gz PQZCDQSCJVQSTE-LJQANCHMSA-N 0 0 523.615 4.237 50 5 KIBARN CC1(C)[C@H](C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)CC[C@@]1(C)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000004109241 552437669 /nfs/dbraw/zinc/43/76/69/552437669.db2.gz GKIYPLFGLXZJAC-FNZWTVRRSA-N 0 0 526.498 4.098 50 5 KIBARN CC1(C)[C@@H](C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)CC[C@@]1(C)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000004109243 552437660 /nfs/dbraw/zinc/43/76/60/552437660.db2.gz GKIYPLFGLXZJAC-IBVKSMDESA-N 0 0 526.498 4.098 50 5 KIBARN CC1(C)[C@H](C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)CC[C@]1(C)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000004109246 552437691 /nfs/dbraw/zinc/43/76/91/552437691.db2.gz GKIYPLFGLXZJAC-RXFWQSSRSA-N 0 0 526.498 4.098 50 5 KIBARN CC1(C)[C@@H](C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)CC[C@]1(C)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000004109248 552437676 /nfs/dbraw/zinc/43/76/76/552437676.db2.gz GKIYPLFGLXZJAC-FQRUVTKNSA-N 0 0 526.498 4.098 50 5 KIBARN O=C(COC(=O)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1)c1ccc(Br)cc1 ZINC000004109385 552437701 /nfs/dbraw/zinc/43/77/01/552437701.db2.gz IFOMVLIPQOOPMH-UHFFFAOYSA-N 0 0 509.268 4.198 50 5 KIBARN CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)cc1[N+](=O)[O-] ZINC000004109750 552437889 /nfs/dbraw/zinc/43/78/89/552437889.db2.gz WKBABCKRGUFQAB-UHFFFAOYSA-N 0 0 539.639 4.144 50 5 KIBARN Cc1c(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)cccc1[N+](=O)[O-] ZINC000004109769 552438185 /nfs/dbraw/zinc/43/81/85/552438185.db2.gz BPWSSZQCAMLYNX-UHFFFAOYSA-N 0 0 509.613 4.054 50 5 KIBARN CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(I)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004112892 552438404 /nfs/dbraw/zinc/43/84/04/552438404.db2.gz MUERUIHQTVLRFG-BKUYFWCQSA-N 0 0 649.444 4.136 50 5 KIBARN O=C(COC(=O)c1cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2n1)c1ccc([N+](=O)[O-])cc1 ZINC000004113444 552438627 /nfs/dbraw/zinc/43/86/27/552438627.db2.gz CAIVARPXBZXGBM-UHFFFAOYSA-N 0 0 543.444 4.131 50 5 KIBARN COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000004121979 552439998 /nfs/dbraw/zinc/43/99/98/552439998.db2.gz ABTKJZZSJSSBMF-UHFFFAOYSA-N 0 0 560.057 4.408 50 5 KIBARN Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCc5ccccc5C4)c3)CC2)cc1C ZINC000004125093 552441905 /nfs/dbraw/zinc/44/19/05/552441905.db2.gz MCINLSVUEVBPFO-UHFFFAOYSA-N 0 0 506.628 4.285 50 5 KIBARN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 ZINC000004125279 552442154 /nfs/dbraw/zinc/44/21/54/552442154.db2.gz GUPJEUJCMUNBOX-GORDUTHDSA-N 0 0 521.401 4.109 50 5 KIBARN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000004125310 552442185 /nfs/dbraw/zinc/44/21/85/552442185.db2.gz ZHTSDODJIKBOBX-UHFFFAOYSA-N 0 0 508.579 4.056 50 5 KIBARN O=C(COC(=O)c1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000004157049 552443416 /nfs/dbraw/zinc/44/34/16/552443416.db2.gz AZZPGBQAONLZJW-UHFFFAOYSA-N 0 0 637.513 4.383 50 5 KIBARN CC(C)[C@@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000004173913 552443933 /nfs/dbraw/zinc/44/39/33/552443933.db2.gz IGNGLCCXNLJZNA-GYFFGYLLSA-N 0 0 538.556 4.238 50 5 KIBARN CC(C)[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000004173917 552443943 /nfs/dbraw/zinc/44/39/43/552443943.db2.gz IGNGLCCXNLJZNA-VJAWVROJSA-N 0 0 538.556 4.238 50 5 KIBARN CC(C)[C@@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000004173923 552443939 /nfs/dbraw/zinc/44/39/39/552443939.db2.gz IGNGLCCXNLJZNA-NGSVVIOZSA-N 0 0 538.556 4.238 50 5 KIBARN CC(C)[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000004173930 552444184 /nfs/dbraw/zinc/44/41/84/552444184.db2.gz IGNGLCCXNLJZNA-PCLDUBMHSA-N 0 0 538.556 4.238 50 5 KIBARN NC(=O)c1c(NC(=S)N[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)sc2c1CCCC2 ZINC000004177643 552445275 /nfs/dbraw/zinc/44/52/75/552445275.db2.gz SBGNIBXDNXVWKB-QGZVFWFLSA-N 0 0 550.877 4.047 50 5 KIBARN NC(=O)c1c(NC(=S)N[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)sc2c1CCCC2 ZINC000004177644 552445336 /nfs/dbraw/zinc/44/53/36/552445336.db2.gz SBGNIBXDNXVWKB-KRWDZBQOSA-N 0 0 550.877 4.047 50 5 KIBARN O=C(CCCC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000004179155 552446107 /nfs/dbraw/zinc/44/61/07/552446107.db2.gz VMNLKEXZFAYIET-UHFFFAOYSA-N 0 0 577.502 4.078 50 5 KIBARN COC(=O)Cc1c(C)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)c(C(=O)OC)c5CC(=O)OC)c(C)c4CC(=O)OC)c(C)c3CC(=O)OC ZINC000004208844 552448862 /nfs/dbraw/zinc/44/88/62/552448862.db2.gz HCIGRGYTYLQLTA-UHFFFAOYSA-N 0 0 698.729 4.444 50 5 KIBARN O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(S(=O)(=O)Nc2ccc(I)cc2)c1 ZINC000004244503 552452634 /nfs/dbraw/zinc/45/26/34/552452634.db2.gz GZLJEECMBMREGR-UHFFFAOYSA-N 0 0 523.308 4.253 50 5 KIBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccc3c(c2)OCCOCCOCCOCCO3)c(C(F)(F)F)c1 ZINC000004329316 552457466 /nfs/dbraw/zinc/45/74/66/552457466.db2.gz UKVAAIIDTQAOHN-UHFFFAOYSA-N 0 0 517.413 4.086 50 5 KIBARN COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(I)cc2)C3=O)c([N+](=O)[O-])c1 ZINC000004426681 552460336 /nfs/dbraw/zinc/46/03/36/552460336.db2.gz DJMFRHNZWZWFML-UHFFFAOYSA-N 0 0 543.273 4.261 50 5 KIBARN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC(=O)Nc2ccc(Br)cc2[C@H]1c1ccccc1 ZINC000004427919 552460578 /nfs/dbraw/zinc/46/05/78/552460578.db2.gz GBUGROMYUNXALC-OAQYLSRUSA-N 0 0 511.288 4.449 50 5 KIBARN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC(=O)Nc2ccc(Br)cc2[C@@H]1c1ccccc1 ZINC000004427920 552460493 /nfs/dbraw/zinc/46/04/93/552460493.db2.gz GBUGROMYUNXALC-NRFANRHFSA-N 0 0 511.288 4.449 50 5 KIBARN Cc1c(C(c2c(C)n(C)n(-c3ccccc3)c2=O)c2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C ZINC000004552034 552466114 /nfs/dbraw/zinc/46/61/14/552466114.db2.gz SBHCFEHOXKMPOC-UHFFFAOYSA-N 0 0 509.566 4.371 50 5 KIBARN Cc1c(C(c2c(C)n(C)n(-c3ccccc3)c2=O)c2cccc([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C ZINC000004552035 552466120 /nfs/dbraw/zinc/46/61/20/552466120.db2.gz FSPITGVCHFXXAK-UHFFFAOYSA-N 0 0 509.566 4.371 50 5 KIBARN COc1cc2c(cc1OC)[C@@H](C(=O)N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)[C@@H](c1ccccc1F)N(C)C2=O ZINC000004760683 552477429 /nfs/dbraw/zinc/47/74/29/552477429.db2.gz KIQLHDPUDBRFAI-KAYWLYCHSA-N 0 0 548.571 4.010 50 5 KIBARN COc1cc2c(cc1OC)[C@@H](C(=O)N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)[C@H](c1ccccc1F)N(C)C2=O ZINC000004760685 552477487 /nfs/dbraw/zinc/47/74/87/552477487.db2.gz KIQLHDPUDBRFAI-SXOMAYOGSA-N 0 0 548.571 4.010 50 5 KIBARN COc1cc2c(cc1OC)[C@H](C(=O)N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)[C@@H](c1ccccc1F)N(C)C2=O ZINC000004760687 552477484 /nfs/dbraw/zinc/47/74/84/552477484.db2.gz KIQLHDPUDBRFAI-RRPNLBNLSA-N 0 0 548.571 4.010 50 5 KIBARN COc1cc2c(cc1OC)[C@H](C(=O)N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)[C@H](c1ccccc1F)N(C)C2=O ZINC000004760688 552477636 /nfs/dbraw/zinc/47/76/36/552477636.db2.gz KIQLHDPUDBRFAI-SVBPBHIXSA-N 0 0 548.571 4.010 50 5 KIBARN CCOC(=O)C1C(C)=Nc2nc(SCc3ccccc3)nn2[C@@H]1c1nc2ccc([N+](=O)[O-])cc2n1C ZINC000004767963 552481182 /nfs/dbraw/zinc/48/11/82/552481182.db2.gz HDROSSPYSGSSCK-FQEVSTJZSA-N 0 0 505.560 4.217 50 5 KIBARN CCOC(=O)C1C(C)=Nc2nc(SCc3ccccc3)nn2[C@H]1c1nc2ccc([N+](=O)[O-])cc2n1C ZINC000004767965 552481125 /nfs/dbraw/zinc/48/11/25/552481125.db2.gz HDROSSPYSGSSCK-HXUWFJFHSA-N 0 0 505.560 4.217 50 5 KIBARN CCOC(=O)c1ccc(-n2c(CN3CCN(c4ccc(Cl)cc4)CC3)nc3ccc([N+](=O)[O-])cc3c2=O)cc1 ZINC000004801064 552486753 /nfs/dbraw/zinc/48/67/53/552486753.db2.gz WPVCPGIZJPTLAU-UHFFFAOYSA-N 0 0 547.999 4.446 50 5 KIBARN COc1ccc(-n2c(CN3CCN(c4cccc(Cl)c4)CC3)nc3ccc([N+](=O)[O-])cc3c2=O)c(OC)c1 ZINC000004801088 552486841 /nfs/dbraw/zinc/48/68/41/552486841.db2.gz SMHXXFNJECKLJJ-UHFFFAOYSA-N 0 0 535.988 4.287 50 5 KIBARN CCOC(=O)c1ccc(-n2c(CN3CCN(c4cccc(Cl)c4)CC3)nc3ccc([N+](=O)[O-])cc3c2=O)cc1 ZINC000004801092 552486761 /nfs/dbraw/zinc/48/67/61/552486761.db2.gz VIXAONUPOGFFRM-UHFFFAOYSA-N 0 0 547.999 4.446 50 5 KIBARN CCOC(=O)c1ccc(-n2c(CN3CCN(c4cc(C)ccc4C)CC3)nc3ccc([N+](=O)[O-])cc3c2=O)cc1 ZINC000004801106 552486827 /nfs/dbraw/zinc/48/68/27/552486827.db2.gz OTDMHSNAKYEWGF-UHFFFAOYSA-N 0 0 541.608 4.410 50 5 KIBARN COc1ccc(C(=O)N/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)NCCCn2ccnc2)cc1 ZINC000005357816 552499759 /nfs/dbraw/zinc/49/97/59/552499759.db2.gz XRTQJWNBLILLKT-JJIBRWJFSA-N 0 0 515.526 4.037 50 5 KIBARN CC(C)c1nn2c(nc(N3CCN(c4ccc([N+](=O)[O-])c(NCCc5ccccc5)c4)CC3)cc2=O)s1 ZINC000005945209 552514995 /nfs/dbraw/zinc/51/49/95/552514995.db2.gz PFNQLMNRRLZRBJ-UHFFFAOYSA-N 0 0 519.631 4.164 50 5 KIBARN CC(C)c1nn2c(nc(N3CCN(c4ccc([N+](=O)[O-])c(NCc5ccccc5)c4)CC3)cc2=O)s1 ZINC000005945211 552515033 /nfs/dbraw/zinc/51/50/33/552515033.db2.gz WEVRONQQRSIWDK-UHFFFAOYSA-N 0 0 505.604 4.121 50 5 KIBARN CCCCc1nn2c(nc(N3CCN(c4ccc([N+](=O)[O-])c(NCCc5ccccc5)c4)CC3)cc2=O)s1 ZINC000005946675 552515209 /nfs/dbraw/zinc/51/52/09/552515209.db2.gz WAFIRPGTMPFMBL-UHFFFAOYSA-N 0 0 533.658 4.383 50 5 KIBARN CCCCc1nn2c(nc(N3CCN(c4ccc([N+](=O)[O-])c(NCc5ccccc5)c4)CC3)cc2=O)s1 ZINC000005946680 552515320 /nfs/dbraw/zinc/51/53/20/552515320.db2.gz HCFAGKCIYMHWEM-UHFFFAOYSA-N 0 0 519.631 4.341 50 5 KIBARN CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccc(C)cc4)CC3)cc2)cc1[N+](=O)[O-] ZINC000005949404 552516342 /nfs/dbraw/zinc/51/63/42/552516342.db2.gz CDAXHXMYNFKISD-UHFFFAOYSA-N 0 0 547.637 4.391 50 5 KIBARN CCOc1ccc(NC(=O)CSc2nc3ccccc3n2S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000006079813 552530122 /nfs/dbraw/zinc/53/01/22/552530122.db2.gz GJOWHIYTSPXYNH-UHFFFAOYSA-N 0 0 512.569 4.311 50 5 KIBARN COc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)c([N+](=O)[O-])c1 ZINC000006163955 552556139 /nfs/dbraw/zinc/55/61/39/552556139.db2.gz UZWXCZGXRNYDEE-ZETCQYMHSA-N 0 0 565.149 4.383 50 5 KIBARN COc1ccc(NC(=O)COC(=O)[C@@H](C)N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)c([N+](=O)[O-])c1 ZINC000006163958 552556122 /nfs/dbraw/zinc/55/61/22/552556122.db2.gz UZWXCZGXRNYDEE-SSDOTTSWSA-N 0 0 565.149 4.383 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1cccs1 ZINC000006227471 193872565 /nfs/dbraw/zinc/87/25/65/193872565.db2.gz DEXVMLZZFHVHNJ-FJWZAKCXSA-N 0 0 535.603 4.336 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1cccs1 ZINC000006227487 193872643 /nfs/dbraw/zinc/87/26/43/193872643.db2.gz DEXVMLZZFHVHNJ-RQLGBQGVSA-N 0 0 535.603 4.336 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1cccs1 ZINC000006227554 552571131 /nfs/dbraw/zinc/57/11/31/552571131.db2.gz QVPPNOPYVDAOSS-FJWZAKCXSA-N 0 0 551.602 4.037 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1cccs1 ZINC000006227592 552571185 /nfs/dbraw/zinc/57/11/85/552571185.db2.gz QVPPNOPYVDAOSS-RQLGBQGVSA-N 0 0 551.602 4.037 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000006227655 552571198 /nfs/dbraw/zinc/57/11/98/552571198.db2.gz NIPAKBZNERTVOE-DJTCXORXSA-N 0 0 573.583 4.004 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000006227663 552571115 /nfs/dbraw/zinc/57/11/15/552571115.db2.gz NIPAKBZNERTVOE-LNXFQTKESA-N 0 0 573.583 4.004 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1cccs1 ZINC000006227691 552571293 /nfs/dbraw/zinc/57/12/93/552571293.db2.gz TYLDCTBNPHSTIL-FJWZAKCXSA-N 0 0 535.603 4.336 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1cccs1 ZINC000006227705 552571225 /nfs/dbraw/zinc/57/12/25/552571225.db2.gz TYLDCTBNPHSTIL-RQLGBQGVSA-N 0 0 535.603 4.336 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000006227711 193872957 /nfs/dbraw/zinc/87/29/57/193872957.db2.gz UAFLLMOTBFENPH-RLGZEVEKSA-N 0 0 594.001 4.349 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000006227715 193872899 /nfs/dbraw/zinc/87/28/99/193872899.db2.gz UAFLLMOTBFENPH-WLPTYJMBSA-N 0 0 594.001 4.349 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000006227722 193872842 /nfs/dbraw/zinc/87/28/42/193872842.db2.gz ZLAFFWHMZKTOCM-RLGZEVEKSA-N 0 0 594.001 4.349 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000006227729 552571298 /nfs/dbraw/zinc/57/12/98/552571298.db2.gz ZLAFFWHMZKTOCM-WLPTYJMBSA-N 0 0 594.001 4.349 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cccs1 ZINC000006227733 193872953 /nfs/dbraw/zinc/87/29/53/193872953.db2.gz WXEMIGUPTDESFJ-FJWZAKCXSA-N 0 0 551.602 4.037 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cccs1 ZINC000006227737 552571272 /nfs/dbraw/zinc/57/12/72/552571272.db2.gz WXEMIGUPTDESFJ-RQLGBQGVSA-N 0 0 551.602 4.037 50 5 KIBARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000006237828 552572269 /nfs/dbraw/zinc/57/22/69/552572269.db2.gz ZDUQXBAPFWDRCS-RQLGBQGVSA-N 0 0 535.965 4.230 50 5 KIBARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000006237829 552572273 /nfs/dbraw/zinc/57/22/73/552572273.db2.gz QIYCBFFNQUZHQR-RQLGBQGVSA-N 0 0 535.965 4.230 50 5 KIBARN COc1ccccc1NC(=O)CSc1nc2ccccc2n1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000006296801 552579380 /nfs/dbraw/zinc/57/93/80/552579380.db2.gz ZFJHMVFEPOAFHM-UHFFFAOYSA-N 0 0 512.569 4.229 50 5 KIBARN Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000006444309 552586963 /nfs/dbraw/zinc/58/69/63/552586963.db2.gz OXYUSYVDYMFJAQ-CYBMUJFWSA-N 0 0 515.579 4.397 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000006488989 552595118 /nfs/dbraw/zinc/59/51/18/552595118.db2.gz GENMGTMLMVZTED-CRCYZHLCSA-N 0 0 589.626 4.292 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000006489005 552595189 /nfs/dbraw/zinc/59/51/89/552595189.db2.gz MUOCHGAHJBYCIP-KMBIYUNPSA-N 0 0 559.600 4.284 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000006489006 552595126 /nfs/dbraw/zinc/59/51/26/552595126.db2.gz GENMGTMLMVZTED-FQKMCRJQSA-N 0 0 589.626 4.292 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccccc1OC ZINC000006489013 552595195 /nfs/dbraw/zinc/59/51/95/552595195.db2.gz MUOCHGAHJBYCIP-GVMLUORFSA-N 0 0 559.600 4.284 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1OC ZINC000006489084 552595180 /nfs/dbraw/zinc/59/51/80/552595180.db2.gz ICPIYRMCJBRKEB-GVMLUORFSA-N 0 0 559.600 4.284 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000006489130 552595274 /nfs/dbraw/zinc/59/52/74/552595274.db2.gz TXJJIUDRTMIKSA-KMBIYUNPSA-N 0 0 559.600 4.284 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1cccs1 ZINC000006489168 552595296 /nfs/dbraw/zinc/59/52/96/552595296.db2.gz VEHMLFDQXYKMDO-FJWZAKCXSA-N 0 0 551.602 4.037 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1cccs1 ZINC000006489171 552595294 /nfs/dbraw/zinc/59/52/94/552595294.db2.gz VEHMLFDQXYKMDO-RQLGBQGVSA-N 0 0 551.602 4.037 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cccs1 ZINC000006489181 552595276 /nfs/dbraw/zinc/59/52/76/552595276.db2.gz XMZIANNLTFHYTK-FJWZAKCXSA-N 0 0 535.603 4.336 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1OC ZINC000006489194 552595556 /nfs/dbraw/zinc/59/55/56/552595556.db2.gz IEKSKWSBHXDRAC-GVMLUORFSA-N 0 0 559.600 4.284 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cccs1 ZINC000006489195 552595576 /nfs/dbraw/zinc/59/55/76/552595576.db2.gz XMZIANNLTFHYTK-RQLGBQGVSA-N 0 0 535.603 4.336 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000006545169 552598171 /nfs/dbraw/zinc/59/81/71/552598171.db2.gz ZHKHYCCEVOIRRU-SUAMDDGLSA-N 0 0 616.608 4.416 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000006545170 552598162 /nfs/dbraw/zinc/59/81/62/552598162.db2.gz STYMIBAFAFNLLF-LMSRTUJASA-N 0 0 586.582 4.407 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000006545171 552598182 /nfs/dbraw/zinc/59/81/82/552598182.db2.gz ZHKHYCCEVOIRRU-MFCBUNOESA-N 0 0 616.608 4.416 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000006545172 552598195 /nfs/dbraw/zinc/59/81/95/552598195.db2.gz STYMIBAFAFNLLF-RISWYLRJSA-N 0 0 586.582 4.407 50 5 KIBARN CCOc1cc(N2CCN(c3cc(OCC)c([N+](=O)[O-])cc3OCC)CC2)c(OCC)cc1[N+](=O)[O-] ZINC000008383302 552986156 /nfs/dbraw/zinc/98/61/56/552986156.db2.gz GIMWVUCDPWELBB-UHFFFAOYSA-N 0 0 504.540 4.424 50 5 KIBARN O=c1c(Br)c(N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cnn1-c1ccccc1 ZINC000008385428 552990818 /nfs/dbraw/zinc/99/08/18/552990818.db2.gz ZBPFXGKOHOKGFA-UHFFFAOYSA-N 0 0 524.297 4.249 50 5 KIBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1NCCc1ccccc1 ZINC000008385441 552990801 /nfs/dbraw/zinc/99/08/01/552990801.db2.gz KIFXYJRKPBIMMT-UHFFFAOYSA-N 0 0 501.008 4.414 50 5 KIBARN O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O)N1CCN(c2ccccc2)CC1 ZINC000008395989 552994369 /nfs/dbraw/zinc/99/43/69/552994369.db2.gz VPELDWBJKDEKTA-XQNSMLJCSA-N 0 0 545.577 4.167 50 5 KIBARN CCC(=O)Oc1c(OC)cc([C@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(=O)CC)cc1[N+](=O)[O-] ZINC000008396432 552995292 /nfs/dbraw/zinc/99/52/92/552995292.db2.gz UOXBYAVTAGSIHQ-HSZRJFAPSA-N 0 0 525.543 4.327 50 5 KIBARN CCC(=O)Oc1c(OC)cc([C@@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(=O)CC)cc1[N+](=O)[O-] ZINC000008396437 552995356 /nfs/dbraw/zinc/99/53/56/552995356.db2.gz UOXBYAVTAGSIHQ-QHCPKHFHSA-N 0 0 525.543 4.327 50 5 KIBARN CCC(=O)Oc1ccc([C@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(=O)CC)c([N+](=O)[O-])c1OC ZINC000008396443 552995362 /nfs/dbraw/zinc/99/53/62/552995362.db2.gz ULOVAVLLLQGHMW-HSZRJFAPSA-N 0 0 525.543 4.327 50 5 KIBARN CCC(=O)Oc1ccc([C@@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(=O)CC)c([N+](=O)[O-])c1OC ZINC000008396453 552995317 /nfs/dbraw/zinc/99/53/17/552995317.db2.gz ULOVAVLLLQGHMW-QHCPKHFHSA-N 0 0 525.543 4.327 50 5 KIBARN O=C(NCC12CC3CC(C1)CC(CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)(C3)C2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000008396829 552995892 /nfs/dbraw/zinc/99/58/92/552995892.db2.gz TUOSVICHWBEKPB-UHFFFAOYSA-N 0 0 582.526 4.066 50 5 KIBARN O=C(Nc1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000008397354 552996568 /nfs/dbraw/zinc/99/65/68/552996568.db2.gz VXDADOMKEHTENX-UHFFFAOYSA-N 0 0 577.465 4.357 50 5 KIBARN O=C1c2ccc(Oc3ccc4c(c3)C(=O)N(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C4=O)cc2C(=O)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000008398444 552999118 /nfs/dbraw/zinc/99/91/18/552999118.db2.gz FBMRLYAIDRKUKF-UHFFFAOYSA-N 0 0 670.463 4.358 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCCCC3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000008399910 553002627 /nfs/dbraw/zinc/00/26/27/553002627.db2.gz KYGGDJQAMCHPBI-LXYLXTGBSA-N 0 0 671.570 4.477 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCCCC3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000008399913 553002592 /nfs/dbraw/zinc/00/25/92/553002592.db2.gz KYGGDJQAMCHPBI-XGLZOBASSA-N 0 0 671.570 4.477 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCCCC3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000008399937 553002606 /nfs/dbraw/zinc/00/26/06/553002606.db2.gz NJVAMEOSYQSKIV-OGRZUZBBSA-N 0 0 578.716 4.419 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCCCC3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000008399940 553002950 /nfs/dbraw/zinc/00/29/50/553002950.db2.gz NJVAMEOSYQSKIV-ASSGYOTOSA-N 0 0 578.716 4.419 50 5 KIBARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000008400050 553003104 /nfs/dbraw/zinc/00/31/04/553003104.db2.gz CUKYSVSCQFJCKC-ZJOBTTRRSA-N 0 0 640.718 4.079 50 5 KIBARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000008400057 553003114 /nfs/dbraw/zinc/00/31/14/553003114.db2.gz CUKYSVSCQFJCKC-ZEZCTPEWSA-N 0 0 640.718 4.079 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCCC3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000008400072 553003502 /nfs/dbraw/zinc/00/35/02/553003502.db2.gz GAMUWOGQSKKRLM-DJTCXORXSA-N 0 0 657.543 4.086 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCCC3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000008400074 553003523 /nfs/dbraw/zinc/00/35/23/553003523.db2.gz GAMUWOGQSKKRLM-LNXFQTKESA-N 0 0 657.543 4.086 50 5 KIBARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCCC3)c(=O)n2[C@@H]1c1ccccc1 ZINC000008400115 553003515 /nfs/dbraw/zinc/00/35/15/553003515.db2.gz LJHOEWQCXXEJTQ-UOOXJCEYSA-N 0 0 580.666 4.444 50 5 KIBARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCCC3)c(=O)n2[C@H]1c1ccccc1 ZINC000008400117 553003777 /nfs/dbraw/zinc/00/37/77/553003777.db2.gz LJHOEWQCXXEJTQ-ZMVORIFESA-N 0 0 580.666 4.444 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000008401043 553005773 /nfs/dbraw/zinc/00/57/73/553005773.db2.gz XBVFMZIGEXMOGU-CMISJSSVSA-N 0 0 555.612 4.286 50 5 KIBARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000008425871 553016768 /nfs/dbraw/zinc/01/67/68/553016768.db2.gz ZDUQXBAPFWDRCS-FJWZAKCXSA-N 0 0 535.965 4.230 50 5 KIBARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000008425872 553016713 /nfs/dbraw/zinc/01/67/13/553016713.db2.gz QIYCBFFNQUZHQR-FJWZAKCXSA-N 0 0 535.965 4.230 50 5 KIBARN O=C(c1ccc2c(c1)C(=O)N(c1ccccc1[N+](=O)[O-])C2=O)c1ccc2c(c1)C(=O)N(c1ccccc1[N+](=O)[O-])C2=O ZINC000008435186 553029798 /nfs/dbraw/zinc/02/97/98/553029798.db2.gz REZDQTSTJXXKFG-UHFFFAOYSA-N 0 0 562.450 4.335 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3Cl)c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000008435219 553030138 /nfs/dbraw/zinc/03/01/38/553030138.db2.gz IDCUHTKXGBPBGB-ACEGTKJHSA-N 0 0 518.378 4.013 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3Cl)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000008435220 553030117 /nfs/dbraw/zinc/03/01/17/553030117.db2.gz IDCUHTKXGBPBGB-CYEGBWLXSA-N 0 0 518.378 4.013 50 5 KIBARN Cc1c(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)c2ccc(C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000008435378 553030297 /nfs/dbraw/zinc/03/02/97/553030297.db2.gz ANDAUUPUJPYWPF-ULJHMMPZSA-N 0 0 511.538 4.111 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000008437460 553031741 /nfs/dbraw/zinc/03/17/41/553031741.db2.gz YUIZUAVGNNIZDO-CBYYHRJHSA-N 0 0 547.564 4.414 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000008437461 553031739 /nfs/dbraw/zinc/03/17/39/553031739.db2.gz YUIZUAVGNNIZDO-PNZYDNNZSA-N 0 0 547.564 4.414 50 5 KIBARN O=c1/c(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000008438543 553034419 /nfs/dbraw/zinc/03/44/19/553034419.db2.gz PBINIDUOUICDHZ-SPVXFMEISA-N 0 0 515.572 4.017 50 5 KIBARN O=c1/c(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000008438545 553034444 /nfs/dbraw/zinc/03/44/44/553034444.db2.gz PBINIDUOUICDHZ-PMPAQKPWSA-N 0 0 515.572 4.017 50 5 KIBARN COc1ccc(C2=NN(C(=O)c3cc([N+](=O)[O-])c(N4CCOCC4)c([N+](=O)[O-])c3)[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000008440031 553036486 /nfs/dbraw/zinc/03/64/86/553036486.db2.gz OTSUCUUNRFPKCN-QHCPKHFHSA-N 0 0 576.522 4.248 50 5 KIBARN COc1ccc(C2=NN(C(=O)c3cc([N+](=O)[O-])c(N4CCOCC4)c([N+](=O)[O-])c3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000008440032 553036469 /nfs/dbraw/zinc/03/64/69/553036469.db2.gz OTSUCUUNRFPKCN-HSZRJFAPSA-N 0 0 576.522 4.248 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000008443168 553045632 /nfs/dbraw/zinc/04/56/32/553045632.db2.gz HBMRHWPAOVJWLV-XSZPGNIMSA-N 0 0 529.574 4.275 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000008443169 553045578 /nfs/dbraw/zinc/04/55/78/553045578.db2.gz HBMRHWPAOVJWLV-XXMKCSCWSA-N 0 0 529.574 4.275 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000008443336 553046074 /nfs/dbraw/zinc/04/60/74/553046074.db2.gz ZHKHYCCEVOIRRU-CRCYZHLCSA-N 0 0 616.608 4.416 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000008443337 553046060 /nfs/dbraw/zinc/04/60/60/553046060.db2.gz ZHKHYCCEVOIRRU-FQKMCRJQSA-N 0 0 616.608 4.416 50 5 KIBARN O=C(CN1C(=O)[C@H]2[C@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000008449500 553057264 /nfs/dbraw/zinc/05/72/64/553057264.db2.gz WNIZCHVNUWAPDP-QULSYZCUSA-N 0 0 654.267 4.226 50 5 KIBARN O=C(CN1C(=O)[C@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000008449501 553057361 /nfs/dbraw/zinc/05/73/61/553057361.db2.gz WNIZCHVNUWAPDP-SIQOOTDXSA-N 0 0 654.267 4.226 50 5 KIBARN O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000008449503 553057346 /nfs/dbraw/zinc/05/73/46/553057346.db2.gz WNIZCHVNUWAPDP-OJKWPBSESA-N 0 0 654.267 4.226 50 5 KIBARN CC(C)[C@@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000008449576 553057319 /nfs/dbraw/zinc/05/73/19/553057319.db2.gz HFWYHIZJWATVLZ-GYFFGYLLSA-N 0 0 538.556 4.238 50 5 KIBARN CC(C)[C@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000008449577 553057342 /nfs/dbraw/zinc/05/73/42/553057342.db2.gz HFWYHIZJWATVLZ-VJAWVROJSA-N 0 0 538.556 4.238 50 5 KIBARN CC(C)[C@@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000008449578 553057432 /nfs/dbraw/zinc/05/74/32/553057432.db2.gz HFWYHIZJWATVLZ-NGSVVIOZSA-N 0 0 538.556 4.238 50 5 KIBARN CC(C)[C@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000008449580 553057420 /nfs/dbraw/zinc/05/74/20/553057420.db2.gz HFWYHIZJWATVLZ-PCLDUBMHSA-N 0 0 538.556 4.238 50 5 KIBARN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000008450540 553058531 /nfs/dbraw/zinc/05/85/31/553058531.db2.gz WCAXJQCCUWVFOI-LFVJCYFKSA-N 0 0 575.603 4.176 50 5 KIBARN CCC(=O)Oc1c([C@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(=O)CC)cc(OC)cc1[N+](=O)[O-] ZINC000008453142 553065722 /nfs/dbraw/zinc/06/57/22/553065722.db2.gz JMIGFPGHLXXROX-HSZRJFAPSA-N 0 0 525.543 4.327 50 5 KIBARN CCC(=O)Oc1c([C@@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(=O)CC)cc(OC)cc1[N+](=O)[O-] ZINC000008453143 553065729 /nfs/dbraw/zinc/06/57/29/553065729.db2.gz JMIGFPGHLXXROX-QHCPKHFHSA-N 0 0 525.543 4.327 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000008454040 553067344 /nfs/dbraw/zinc/06/73/44/553067344.db2.gz OPCJDXIGWJTKLE-YVBHXKDBSA-N 0 0 615.664 4.303 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000008454041 553067398 /nfs/dbraw/zinc/06/73/98/553067398.db2.gz OPCJDXIGWJTKLE-VPHSIRQSSA-N 0 0 615.664 4.303 50 5 KIBARN CCOC(=O)c1sc(NC(=O)c2nn(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])c(C(=O)OC)c1C ZINC000008454527 553069003 /nfs/dbraw/zinc/06/90/03/553069003.db2.gz QBKLXQKWXKFRSU-UHFFFAOYSA-N 0 0 516.576 4.302 50 5 KIBARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(COc4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1 ZINC000008455244 553071789 /nfs/dbraw/zinc/07/17/89/553071789.db2.gz IRHPQUDXOPUWSS-JGTYQCAFSA-N 0 0 565.991 4.142 50 5 KIBARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(COc4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000008455245 553071803 /nfs/dbraw/zinc/07/18/03/553071803.db2.gz IRHPQUDXOPUWSS-LYRGBEMXSA-N 0 0 565.991 4.142 50 5 KIBARN CC1(C)[C@H](C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@]1(C)C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000008457002 553074910 /nfs/dbraw/zinc/07/49/10/553074910.db2.gz HZKQMCMICFFFNB-FNZWTVRRSA-N 0 0 526.498 4.098 50 5 KIBARN CC1(C)[C@@H](C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@]1(C)C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000008457004 553074896 /nfs/dbraw/zinc/07/48/96/553074896.db2.gz HZKQMCMICFFFNB-IBVKSMDESA-N 0 0 526.498 4.098 50 5 KIBARN CC1(C)[C@H](C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)CC[C@]1(C)C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000008457005 553074893 /nfs/dbraw/zinc/07/48/93/553074893.db2.gz HZKQMCMICFFFNB-RXFWQSSRSA-N 0 0 526.498 4.098 50 5 KIBARN CC1(C)[C@@H](C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)CC[C@]1(C)C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000008457007 553074992 /nfs/dbraw/zinc/07/49/92/553074992.db2.gz HZKQMCMICFFFNB-FQRUVTKNSA-N 0 0 526.498 4.098 50 5 KIBARN O=C1c2cc(S(=O)(=O)Oc3ccccc3)cc([N+](=O)[O-])c2-c2c1cc(S(=O)(=O)Oc1ccccc1)cc2[N+](=O)[O-] ZINC000008626826 553104219 /nfs/dbraw/zinc/10/42/19/553104219.db2.gz MOPFGXCCGXEQDV-UHFFFAOYSA-N 0 0 582.524 4.250 50 5 KIBARN COc1ccc(CCNc2cc(N3CCN(C(=O)c4ccccc4F)CC3)ccc2[N+](=O)[O-])cc1OC ZINC000008666957 553109459 /nfs/dbraw/zinc/10/94/59/553109459.db2.gz FXPLKDJYULQDEO-UHFFFAOYSA-N 0 0 508.550 4.368 50 5 KIBARN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)S(C)(=O)=O ZINC000008682440 553112548 /nfs/dbraw/zinc/11/25/48/553112548.db2.gz OPUMIADHMQAMRU-UHFFFAOYSA-N 0 0 586.570 4.128 50 5 KIBARN O=C(COc1ccc(Br)cc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000008683501 553112865 /nfs/dbraw/zinc/11/28/65/553112865.db2.gz RQBPNIZBHLOYBQ-UHFFFAOYSA-N 0 0 503.397 4.075 50 5 aggregator KIBARN COCCn1c2nc(-c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)n(Cc3ccccc3)c2c(=O)[nH]c1=O ZINC000008684905 553113688 /nfs/dbraw/zinc/11/36/88/553113688.db2.gz BFAGKAYIRHYAIB-UHFFFAOYSA-N 0 0 521.917 4.070 50 5 KIBARN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000008685089 553113998 /nfs/dbraw/zinc/11/39/98/553113998.db2.gz FAVRMHZHOQIBIC-JHXAUMMHSA-N 0 0 509.024 4.428 50 5 aggregator KIBARN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000008685090 553113995 /nfs/dbraw/zinc/11/39/95/553113995.db2.gz FAVRMHZHOQIBIC-KBTRNUBCSA-N 0 0 509.024 4.428 50 5 aggregator KIBARN CN(C)c1ccc([P@@](=O)(Nc2ccc([N+](=O)[O-])cc2)N2CCOCC2)c(NC(=O)c2cccs2)c1 ZINC000008687459 553116578 /nfs/dbraw/zinc/11/65/78/553116578.db2.gz MGNIKYAMBTUHBE-UUWRZZSWSA-N 0 0 515.532 4.237 50 5 KIBARN COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCCc4ccc(OC)c(OC)c4)c3)CC2)cc1 ZINC000008691119 553117463 /nfs/dbraw/zinc/11/74/63/553117463.db2.gz WTDAXWUPWALGAO-UHFFFAOYSA-N 0 0 520.586 4.238 50 5 biogenic KIBARN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Oc2ccc3c(c2)oc(C)c(-c2ccc([N+](=O)[O-])cc2)c3=O)cc1 ZINC000008691501 553117676 /nfs/dbraw/zinc/11/76/76/553117676.db2.gz RUUZMHMJARZKEC-INIZCTEOSA-N 0 0 522.535 4.257 50 5 KIBARN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Oc2ccc3c(c2)oc(C)c(-c2ccc([N+](=O)[O-])cc2)c3=O)cc1 ZINC000008691502 553117699 /nfs/dbraw/zinc/11/76/99/553117699.db2.gz RUUZMHMJARZKEC-MRXNPFEDSA-N 0 0 522.535 4.257 50 5 KIBARN CCOc1ccc(NC(=S)NC(=O)c2ccc(Cn3cc(Br)cn3)cc2)c([N+](=O)[O-])c1 ZINC000008721301 553129511 /nfs/dbraw/zinc/12/95/11/553129511.db2.gz XIBHDRVPGVWKBG-UHFFFAOYSA-N 0 0 504.366 4.128 50 5 KIBARN O=C(C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc(Br)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000008722081 553129647 /nfs/dbraw/zinc/12/96/47/553129647.db2.gz KMUMHUVHVXGJHK-HXUWFJFHSA-N 0 0 509.316 4.354 50 5 KIBARN O=C(COC(=O)C1CCC(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000008722280 553129903 /nfs/dbraw/zinc/12/99/03/553129903.db2.gz XAXACULRIJSEAR-UHFFFAOYSA-N 0 0 505.310 4.483 50 5 KIBARN O=C(COC(=O)C1CCC(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000008722281 553129888 /nfs/dbraw/zinc/12/98/88/553129888.db2.gz NCNMQMAVIGDEFK-UHFFFAOYSA-N 0 0 505.310 4.483 50 5 KIBARN CC(C)C[C@H](NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1)C(=O)OCc1ccccc1 ZINC000008742425 553133288 /nfs/dbraw/zinc/13/32/88/553133288.db2.gz YADKQINMTPWLBG-GTRUEHEQSA-N 0 0 505.527 4.233 50 5 KIBARN CC(C)C[C@@H](NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1)C(=O)OCc1ccccc1 ZINC000008742426 553133314 /nfs/dbraw/zinc/13/33/14/553133314.db2.gz YADKQINMTPWLBG-PLJYQOKSSA-N 0 0 505.527 4.233 50 5 KIBARN CCOc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)cc1[N+](=O)[O-] ZINC000008742487 553133348 /nfs/dbraw/zinc/13/33/48/553133348.db2.gz RODLYGGFLHDFHA-XMMPIXPASA-N 0 0 505.531 4.426 50 5 KIBARN CCOc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)cc1[N+](=O)[O-] ZINC000008742488 553133332 /nfs/dbraw/zinc/13/33/32/553133332.db2.gz RODLYGGFLHDFHA-DEOSSOPVSA-N 0 0 505.531 4.426 50 5 KIBARN COc1ccc(Cn2c3nc4ccccc4nc3c3c2nc(C)n(Cc2ccc4c(c2)OCO4)c3=O)cc1 ZINC000008742658 553133299 /nfs/dbraw/zinc/13/32/99/553133299.db2.gz RUCGNEHCXVMBRR-UHFFFAOYSA-N 0 0 505.534 4.437 50 5 KIBARN CCOC(=O)c1c(C)oc2ccc(N(C(=O)c3ccncc3)S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc21 ZINC000008765811 553138384 /nfs/dbraw/zinc/13/83/84/553138384.db2.gz LBVFIDGNCBAROG-UHFFFAOYSA-N 0 0 509.496 4.257 50 5 KIBARN COc1ccc(CCN2CC(=O)N3[C@H](Cc4c5ccccc5[nH]c4[C@@H]3c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000008768815 553140202 /nfs/dbraw/zinc/14/02/02/553140202.db2.gz MGYJKFKSJWDLDZ-NAKRPHOHSA-N 0 0 510.550 4.012 50 5 KIBARN COc1ccc(CCN2CC(=O)N3[C@H](Cc4c5ccccc5[nH]c4[C@H]3c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000008768817 553140218 /nfs/dbraw/zinc/14/02/18/553140218.db2.gz MGYJKFKSJWDLDZ-LEAFIULHSA-N 0 0 510.550 4.012 50 5 KIBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1NCCOc1ccc(Cl)cc1 ZINC000008781223 553144604 /nfs/dbraw/zinc/14/46/04/553144604.db2.gz OUPURZHGDYLHIR-UHFFFAOYSA-N 0 0 517.007 4.250 50 5 KIBARN COc1ccccc1N1CCN(c2cc(N3CCN(C(=O)c4ccc(C)cc4)CC3)ccc2[N+](=O)[O-])CC1 ZINC000008816245 553151805 /nfs/dbraw/zinc/15/18/05/553151805.db2.gz FEGJIHMGVZEOLB-UHFFFAOYSA-N 0 0 515.614 4.201 50 5 KIBARN COc1ccc(CCNc2cc(N3CCN(C(=O)c4ccccc4OC)CC3)ccc2[N+](=O)[O-])cc1OC ZINC000008816323 553151834 /nfs/dbraw/zinc/15/18/34/553151834.db2.gz XCLJMZPIMGHSRQ-UHFFFAOYSA-N 0 0 520.586 4.238 50 5 KIBARN Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCCOc4ccccc4C)c3)CC2)cc1 ZINC000008817585 553152923 /nfs/dbraw/zinc/15/29/23/553152923.db2.gz PTJNCHODSWUVCM-UHFFFAOYSA-N 0 0 510.616 4.213 50 5 KIBARN Cc1nn(-c2cc(N3CCN(C(=O)c4ccccc4Cl)CC3)ccc2[N+](=O)[O-])c(=O)c2ccccc12 ZINC000008818221 553153463 /nfs/dbraw/zinc/15/34/63/553153463.db2.gz AKHJDNJQZKLYBE-UHFFFAOYSA-N 0 0 503.946 4.218 50 5 KIBARN COc1ccc(CCNc2cc(N3CCN(C(=O)c4cccc(F)c4)CC3)ccc2[N+](=O)[O-])cc1OC ZINC000008818231 553153430 /nfs/dbraw/zinc/15/34/30/553153430.db2.gz OCPJWLIIMOOVGL-UHFFFAOYSA-N 0 0 508.550 4.368 50 5 KIBARN COc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@@H](C)c4ccccc4)c3)CC2)cc1F ZINC000008856950 553167842 /nfs/dbraw/zinc/16/78/42/553167842.db2.gz IELTWNYBYJVGSQ-SFHVURJKSA-N 0 0 514.579 4.427 50 5 KIBARN COc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@H](C)c4ccccc4)c3)CC2)cc1F ZINC000008857527 553168342 /nfs/dbraw/zinc/16/83/42/553168342.db2.gz IELTWNYBYJVGSQ-GOSISDBHSA-N 0 0 514.579 4.427 50 5 KIBARN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)N1CCN(c2ccccc2)CC1 ZINC000008875273 553175076 /nfs/dbraw/zinc/17/50/76/553175076.db2.gz UIZPFOSWIWSNFU-XQNSMLJCSA-N 0 0 518.551 4.240 50 5 KIBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs1 ZINC000008914689 553186119 /nfs/dbraw/zinc/18/61/19/553186119.db2.gz ZPOCLAMNGCUCAX-UHFFFAOYSA-N 0 0 516.601 4.301 50 5 KIBARN O=C(c1cccc(Br)c1)N1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000008915969 553186576 /nfs/dbraw/zinc/18/65/76/553186576.db2.gz IAKIYSZFLDEAAI-UHFFFAOYSA-N 0 0 503.231 4.247 50 5 KIBARN COc1ccc(C(=O)N/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)NCCCn2ccnc2)cc1 ZINC000008921496 553189691 /nfs/dbraw/zinc/18/96/91/553189691.db2.gz DQTSJRSLUALTMY-QJOMJCCJSA-N 0 0 515.526 4.037 50 5 KIBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1NCCOc1ccccc1 ZINC000008932128 553192697 /nfs/dbraw/zinc/19/26/97/553192697.db2.gz JTQUIYBOLVQMEM-UHFFFAOYSA-N 0 0 517.007 4.250 50 5 KIBARN O=C(c1cc([N+](=O)[O-])c(N2CCCCC2)c([N+](=O)[O-])c1N1CCCCC1)N1CC(=O)Nc2ccccc21 ZINC000008935045 553193207 /nfs/dbraw/zinc/19/32/07/553193207.db2.gz PYSQRQCAJFGTLY-UHFFFAOYSA-N 0 0 508.535 4.083 50 5 KIBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1NC[C@@H]1CCCO1 ZINC000009008143 553198571 /nfs/dbraw/zinc/19/85/71/553198571.db2.gz BWJBCNWMTCLIHD-INIZCTEOSA-N 0 0 515.419 4.003 50 5 KIBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1NC[C@H]1CCCO1 ZINC000009008803 553199194 /nfs/dbraw/zinc/19/91/94/553199194.db2.gz BWJBCNWMTCLIHD-MRXNPFEDSA-N 0 0 515.419 4.003 50 5 KIBARN O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000009008887 553199260 /nfs/dbraw/zinc/19/92/60/553199260.db2.gz VPBDHVVYMVRZAA-UHFFFAOYSA-N 0 0 506.578 4.395 50 5 KIBARN Cc1cccc(C(=O)N2CCN(c3ccc(C(=O)NC4C5CC6CC(C5)CC4C6)cc3[N+](=O)[O-])CC2)c1 ZINC000009008960 553199236 /nfs/dbraw/zinc/19/92/36/553199236.db2.gz AMPVGELTKDRWHS-UHFFFAOYSA-N 0 0 502.615 4.420 50 5 KIBARN CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(-n3nc(-c4ccc(Cl)cc4)c4ccccc4c3=O)c2)CC1 ZINC000009009021 553199268 /nfs/dbraw/zinc/19/92/68/553199268.db2.gz KGRVIGHKCXDUJF-UHFFFAOYSA-N 0 0 503.946 4.283 50 5 KIBARN CCOC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@]2(S1)SC(C(=O)OC)=C(C)N2c1ccccc1 ZINC000009009342 553199307 /nfs/dbraw/zinc/19/93/07/553199307.db2.gz MBXNEMJQEOEWPR-QFIPXVFZSA-N 0 0 500.558 4.294 50 5 KIBARN CCOC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@@]2(S1)SC(C(=O)OC)=C(C)N2c1ccccc1 ZINC000009009343 553199271 /nfs/dbraw/zinc/19/92/71/553199271.db2.gz MBXNEMJQEOEWPR-JOCHJYFZSA-N 0 0 500.558 4.294 50 5 KIBARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=Cc4ccccc4N2[C@@H]3C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000009009854 553199723 /nfs/dbraw/zinc/19/97/23/553199723.db2.gz DGPYGWKOWBDUQU-POTDNYQPSA-N 0 0 508.534 4.240 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000009028287 553201361 /nfs/dbraw/zinc/20/13/61/553201361.db2.gz LMTIFEQZNVFCOH-LWUPDDLQSA-N 0 0 513.575 4.168 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000009028289 553201356 /nfs/dbraw/zinc/20/13/56/553201356.db2.gz LMTIFEQZNVFCOH-GJFKPFFXSA-N 0 0 513.575 4.168 50 5 KIBARN COC(=O)c1c(C)oc2ccc(N(C(=O)c3ccncc3)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc21 ZINC000009030716 553201551 /nfs/dbraw/zinc/20/15/51/553201551.db2.gz HYWWBYRIIPLCMY-UHFFFAOYSA-N 0 0 509.496 4.175 50 5 KIBARN CCCC12CN(C(=O)c3ccc([N+](=O)[O-])cc3)CC(CCC)(CN(C(=O)c3ccc([N+](=O)[O-])cc3)C1)C2=O ZINC000009040960 553202130 /nfs/dbraw/zinc/20/21/30/553202130.db2.gz NQFQQFBSNPYGRH-UHFFFAOYSA-N 0 0 522.558 4.257 50 5 KIBARN CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(O)c2c(c1)oc1cc(Cl)ccc1c2=O ZINC000009045757 553203592 /nfs/dbraw/zinc/20/35/92/553203592.db2.gz CHCFZHFNBQFBEJ-SFHVURJKSA-N 0 0 501.944 4.276 50 5 KIBARN CCCC12CN(C(=O)c3cccc([N+](=O)[O-])c3)CC(CCC)(CN(C(=O)c3cccc([N+](=O)[O-])c3)C1)C2=O ZINC000009065150 553205662 /nfs/dbraw/zinc/20/56/62/553205662.db2.gz DZKZZWJPIKLXEE-UHFFFAOYSA-N 0 0 522.558 4.257 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000009069585 553206820 /nfs/dbraw/zinc/20/68/20/553206820.db2.gz ZHZVLHPFQJREKK-QFVBLGFASA-N 0 0 505.596 4.004 50 5 KIBARN CCOC(=O)C1=C(C)N(c2ccccc2)[C@@]2(SC(C(=O)OC)=NN2c2ccccc2[N+](=O)[O-])S1 ZINC000009075582 553207346 /nfs/dbraw/zinc/20/73/46/553207346.db2.gz ICBYBZNBEBFEMA-QFIPXVFZSA-N 0 0 500.558 4.294 50 5 KIBARN CCOC(=O)C1=C(C)N(c2ccccc2)[C@]2(SC(C(=O)OC)=NN2c2ccccc2[N+](=O)[O-])S1 ZINC000009075583 553207326 /nfs/dbraw/zinc/20/73/26/553207326.db2.gz ICBYBZNBEBFEMA-JOCHJYFZSA-N 0 0 500.558 4.294 50 5 KIBARN CCOC(=O)C1=C(C)N(c2ccccc2)[C@@]2(SC(C(=O)OC)=NN2c2ccc([N+](=O)[O-])cc2)S1 ZINC000009076517 553207966 /nfs/dbraw/zinc/20/79/66/553207966.db2.gz FVOVPFULFOMEKS-QFIPXVFZSA-N 0 0 500.558 4.294 50 5 KIBARN CCOC(=O)C1=C(C)N(c2ccccc2)[C@]2(SC(C(=O)OC)=NN2c2ccc([N+](=O)[O-])cc2)S1 ZINC000009076518 553207941 /nfs/dbraw/zinc/20/79/41/553207941.db2.gz FVOVPFULFOMEKS-JOCHJYFZSA-N 0 0 500.558 4.294 50 5 KIBARN COc1ccc(C(=O)C2=C3C(O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@@H]3[C@@H]3c4ccccc4C=CN23)cc1 ZINC000009088325 553208957 /nfs/dbraw/zinc/20/89/57/553208957.db2.gz HGLVIFNJPCFVLH-QYOOZWMWSA-N 0 0 509.518 4.310 50 5 KIBARN COc1ccc(C(=O)C2=C3C(O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1 ZINC000009088326 553208914 /nfs/dbraw/zinc/20/89/14/553208914.db2.gz HGLVIFNJPCFVLH-QUMGSSFMSA-N 0 0 509.518 4.310 50 5 KIBARN CCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4ccccc4)c3)CC2)cc1[N+](=O)[O-] ZINC000009113167 553210596 /nfs/dbraw/zinc/21/05/96/553210596.db2.gz ONJMOVDHXXGNOT-UHFFFAOYSA-N 0 0 505.531 4.476 50 5 KIBARN C[C@]12C[C@H](CC(C)(C)C1)N1c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(Cc4ccccc4)C3=O)[C@@H]12 ZINC000009128932 553213020 /nfs/dbraw/zinc/21/30/20/553213020.db2.gz JWRZZLCHFOAEFJ-XJJVGQGTSA-N 0 0 502.571 4.190 50 5 KIBARN CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(O)c2c(c1)oc1cc(Cl)ccc1c2=O ZINC000009128957 553213092 /nfs/dbraw/zinc/21/30/92/553213092.db2.gz CHCFZHFNBQFBEJ-GOSISDBHSA-N 0 0 501.944 4.276 50 5 KIBARN Cc1nc2c(c3nc4ccccc4nc3n2Cc2ccc3c(c2)OCO3)c(=O)n1Cc1ccc2c(c1)OCO2 ZINC000009169005 553215918 /nfs/dbraw/zinc/21/59/18/553215918.db2.gz AVLLOZMOWISSQX-UHFFFAOYSA-N 0 0 519.517 4.157 50 5 KIBARN O=C(CSc1nc2cc(Cl)ccc2[nH]1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000009191542 553218623 /nfs/dbraw/zinc/21/86/23/553218623.db2.gz VAAZWMHTODZOOC-UHFFFAOYSA-N 0 0 509.978 4.145 50 5 KIBARN CCOCCCn1c(C)nc2c(c3nc4ccccc4nc3n2CCc2ccc(OC)c(OC)c2)c1=O ZINC000009215680 553221358 /nfs/dbraw/zinc/22/13/58/553221358.db2.gz MOHMTWAQVAABAG-UHFFFAOYSA-N 0 0 501.587 4.289 50 5 KIBARN COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1O ZINC000009233159 553224184 /nfs/dbraw/zinc/22/41/84/553224184.db2.gz URSJZLFWYYHNRE-OVCLIPMQSA-N 0 0 512.281 4.150 50 5 KIBARN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000009233296 553224182 /nfs/dbraw/zinc/22/41/82/553224182.db2.gz YILTYFMETDEXTE-MOSHPQCFSA-N 0 0 506.496 4.466 50 5 KIBARN Cc1nn(-c2cc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)ccc2[N+](=O)[O-])c(=O)c2ccccc12 ZINC000009233731 553224524 /nfs/dbraw/zinc/22/45/24/553224524.db2.gz XHYIPKVYFFKCQO-UHFFFAOYSA-N 0 0 503.946 4.218 50 5 KIBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1NCc1cccnc1 ZINC000009246934 553227417 /nfs/dbraw/zinc/22/74/17/553227417.db2.gz ZGZWVWKUAJSKNU-UHFFFAOYSA-N 0 0 503.584 4.266 50 5 KIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc([C@H](NC(=O)c2ccc(F)cc2)C(C)C)n1C ZINC000009260540 553228189 /nfs/dbraw/zinc/22/81/89/553228189.db2.gz YRZOEJBYABMTLK-HXUWFJFHSA-N 0 0 500.556 4.029 50 5 KIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc([C@@H](NC(=O)c2ccc(F)cc2)C(C)C)n1C ZINC000009260543 553228161 /nfs/dbraw/zinc/22/81/61/553228161.db2.gz YRZOEJBYABMTLK-FQEVSTJZSA-N 0 0 500.556 4.029 50 5 KIBARN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000009262283 553228462 /nfs/dbraw/zinc/22/84/62/553228462.db2.gz WBAIYQYYEDLXAD-JOCHJYFZSA-N 0 0 526.619 4.381 50 5 KIBARN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000009262286 553228446 /nfs/dbraw/zinc/22/84/46/553228446.db2.gz WBAIYQYYEDLXAD-QFIPXVFZSA-N 0 0 526.619 4.381 50 5 KIBARN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000009262315 553228473 /nfs/dbraw/zinc/22/84/73/553228473.db2.gz DQOBYSUPCZVPRA-OAQYLSRUSA-N 0 0 512.592 4.073 50 5 KIBARN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000009262319 553228476 /nfs/dbraw/zinc/22/84/76/553228476.db2.gz DQOBYSUPCZVPRA-NRFANRHFSA-N 0 0 512.592 4.073 50 5 KIBARN COc1ccc(C(=O)C2=C3C(O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N23)cc1 ZINC000009271827 553231311 /nfs/dbraw/zinc/23/13/11/553231311.db2.gz LSPPNXQHQXAJBH-RCOXAODPSA-N 0 0 509.518 4.185 50 5 KIBARN O=Cc1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 ZINC000009295662 553235665 /nfs/dbraw/zinc/23/56/65/553235665.db2.gz DYYHQXBRXPDTPZ-UHFFFAOYSA-N 0 0 509.037 4.196 50 5 KIBARN O=Cc1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 ZINC000009295664 553235681 /nfs/dbraw/zinc/23/56/81/553235681.db2.gz WITCYGZDCAYPJU-UHFFFAOYSA-N 0 0 509.037 4.196 50 5 KIBARN O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)c([N+](=O)[O-])c1 ZINC000009315722 553241066 /nfs/dbraw/zinc/24/10/66/553241066.db2.gz ZFYNQAIKFNGZQP-UHFFFAOYSA-N 0 0 506.578 4.251 50 5 KIBARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@@H]3[C@@H]3c4ccccc4C=CN23)cc1 ZINC000009318289 553241059 /nfs/dbraw/zinc/24/10/59/553241059.db2.gz PWIOCAWDPSREDL-QYOOZWMWSA-N 0 0 509.518 4.310 50 5 KIBARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1 ZINC000009318292 553241073 /nfs/dbraw/zinc/24/10/73/553241073.db2.gz PWIOCAWDPSREDL-QUMGSSFMSA-N 0 0 509.518 4.310 50 5 KIBARN CC1(C)Cc2c(sc3c2c2ncnn2c2nnc(SCC(=O)Nc4ccc(Cl)cc4)n23)CO1 ZINC000009345259 553244041 /nfs/dbraw/zinc/24/40/41/553244041.db2.gz YXCZODJPLIJCQN-UHFFFAOYSA-N 0 0 500.009 4.222 50 5 KIBARN CCCCCn1c(=N)c(S(=O)(=O)c2ccc(Br)cc2)cc2c1nc1c(C)cccn1c2=O ZINC000009346475 553244377 /nfs/dbraw/zinc/24/43/77/553244377.db2.gz ZTWBWDYIDOTAEA-UHFFFAOYSA-N 0 0 515.433 4.223 50 5 KIBARN CC1(C)Cc2c(sc3c2c2ncnn2c2nnc(SCC(=O)Nc4cccc(Cl)c4)n23)CO1 ZINC000009347727 553244357 /nfs/dbraw/zinc/24/43/57/553244357.db2.gz YWLDKTNDHXNLIZ-UHFFFAOYSA-N 0 0 500.009 4.222 50 5 KIBARN O=C(C1=C2C(O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12)c1ccc(Cl)cc1 ZINC000009348073 553244647 /nfs/dbraw/zinc/24/46/47/553244647.db2.gz CRGUNCJDWJDPDE-WZYRSQIMSA-N 0 0 500.898 4.010 50 5 KIBARN O=C(COC(=O)c1cccc(NC(=O)c2cc(=O)[nH]c3ccccc32)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000009348694 553244802 /nfs/dbraw/zinc/24/48/02/553244802.db2.gz HCWCNLRPDNIHGX-UHFFFAOYSA-N 0 0 505.870 4.382 50 5 KIBARN O=C(OCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000009354619 553246029 /nfs/dbraw/zinc/24/60/29/553246029.db2.gz NYKNHZHRERFLRU-UHFFFAOYSA-N 0 0 518.482 4.100 50 5 KIBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN21 ZINC000009356679 553246675 /nfs/dbraw/zinc/24/66/75/553246675.db2.gz FPGFSNILVCQDKB-LWSSLDFYSA-N 0 0 514.925 4.402 50 5 KIBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN21 ZINC000009358255 553247571 /nfs/dbraw/zinc/24/75/71/553247571.db2.gz RJXNBZRXDNKBQO-LWSSLDFYSA-N 0 0 514.925 4.402 50 5 KIBARN Cc1cccc(-c2nc3s/c(=C\c4cn(-c5ccccc5)nc4-c4cccc([N+](=O)[O-])c4)c(=O)n3n2)c1 ZINC000009358338 553247586 /nfs/dbraw/zinc/24/75/86/553247586.db2.gz LFFXAXMIMZPXBT-HAHDFKILSA-N 0 0 506.547 4.435 50 5 KIBARN O=C(C1=C2C(O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=NN12)c1ccc(Cl)cc1 ZINC000009359813 553248153 /nfs/dbraw/zinc/24/81/53/553248153.db2.gz UAYKPOXLAOMKCT-BJESRGMDSA-N 0 0 500.898 4.010 50 5 KIBARN Cc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2-c2ccccc2)c1 ZINC000009369036 553249769 /nfs/dbraw/zinc/24/97/69/553249769.db2.gz QVFGBJMGLGVZKA-UHFFFAOYSA-N 0 0 516.583 4.453 50 5 KIBARN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(Cl)cc3)N3N=Cc4ccccc4[C@@H]23)C1O ZINC000009374775 553250902 /nfs/dbraw/zinc/25/09/02/553250902.db2.gz SYGWZMRGVYPKEI-KIHHCIJBSA-N 0 0 514.925 4.318 50 5 KIBARN CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c1csc2NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000009381600 553252828 /nfs/dbraw/zinc/25/28/28/553252828.db2.gz YPFUWVHPXIZMBR-UHFFFAOYSA-N 0 0 512.931 4.367 50 5 KIBARN CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c1csc2NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000009381688 553252983 /nfs/dbraw/zinc/25/29/83/553252983.db2.gz BFFDXNVDKLBPBD-UHFFFAOYSA-N 0 0 508.512 4.101 50 5 KIBARN CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c1csc2NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000009381689 553252990 /nfs/dbraw/zinc/25/29/90/553252990.db2.gz WWHFDTWTOYWSFR-UHFFFAOYSA-N 0 0 508.512 4.101 50 5 KIBARN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc54)cc3)nc21 ZINC000009404236 553255693 /nfs/dbraw/zinc/25/56/93/553255693.db2.gz SSRJZXSMEVPJEF-UHFFFAOYSA-N 0 0 510.553 4.217 50 5 KIBARN Cc1c(OCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NC(C)C)ccc2c3ccccc3c(=O)oc12 ZINC000009409917 553257214 /nfs/dbraw/zinc/25/72/14/553257214.db2.gz UESSITNIKTZUTP-VWLOTQADSA-N 0 0 511.578 4.367 50 5 KIBARN N=c1c(S(=O)(=O)c2ccc(Br)cc2)cc2c(=O)n3ccccc3nc2n1C1CCCCC1 ZINC000009463709 553269121 /nfs/dbraw/zinc/26/91/21/553269121.db2.gz MKUXPBLKQXMSMQ-UHFFFAOYSA-N 0 0 513.417 4.229 50 5 KIBARN COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000009543564 553277970 /nfs/dbraw/zinc/27/79/70/553277970.db2.gz UBAAPZXADROZTD-UHFFFAOYSA-N 0 0 506.467 4.319 50 5 KIBARN CC(=O)Nc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000009543566 553277985 /nfs/dbraw/zinc/27/79/85/553277985.db2.gz HHUNZJAPSQVVMH-UHFFFAOYSA-N 0 0 505.483 4.490 50 5 KIBARN CCN(CC)Cc1cc(NC2=NS(=O)(=O)c3ccccc32)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000009601125 553286408 /nfs/dbraw/zinc/28/64/08/553286408.db2.gz LYMPDDGLSQRYQH-UHFFFAOYSA-N 0 0 508.556 4.217 50 5 KIBARN COc1ccccc1N1CCN(c2cc(N3CCN(C(=O)c4ccc(F)cc4)CC3)ccc2[N+](=O)[O-])CC1 ZINC000009601672 553286800 /nfs/dbraw/zinc/28/68/00/553286800.db2.gz JIJOXEPVWLDSTE-UHFFFAOYSA-N 0 0 519.577 4.032 50 5 KIBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1N1CCc2ccccc2C1 ZINC000009601763 553286832 /nfs/dbraw/zinc/28/68/32/553286832.db2.gz XYMTVYBIWPBURA-UHFFFAOYSA-N 0 0 513.019 4.322 50 5 KIBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000009601765 553286805 /nfs/dbraw/zinc/28/68/05/553286805.db2.gz YMEXWYVWFXDYAK-UHFFFAOYSA-N 0 0 510.450 4.186 50 5 KIBARN COc1ccccc1N1CCN(c2cc(N3CCN(C(=O)c4cccc(F)c4)CC3)ccc2[N+](=O)[O-])CC1 ZINC000009720323 553300501 /nfs/dbraw/zinc/30/05/01/553300501.db2.gz ZCZULTVDZMJCEW-UHFFFAOYSA-N 0 0 519.577 4.032 50 5 KIBARN Cc1nn(-c2cc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)ccc2[N+](=O)[O-])c(=O)c2ccccc12 ZINC000009720479 553300769 /nfs/dbraw/zinc/30/07/69/553300769.db2.gz SDNLZBNHLSWNFC-UHFFFAOYSA-N 0 0 503.946 4.218 50 5 KIBARN Cc1cc(C)n(-c2cc(N3CCN(S(=O)(=O)c4ccc(Cl)c(Cl)c4)CC3)ccc2[N+](=O)[O-])n1 ZINC000009720899 553300874 /nfs/dbraw/zinc/30/08/74/553300874.db2.gz IZIACBDGYHHMBI-UHFFFAOYSA-N 0 0 510.403 4.215 50 5 KIBARN COc1ccccc1N1CCN(c2cc(N3CCN(C(=O)c4ccccc4F)CC3)ccc2[N+](=O)[O-])CC1 ZINC000009721000 553300863 /nfs/dbraw/zinc/30/08/63/553300863.db2.gz BONULUJFBBVEAU-UHFFFAOYSA-N 0 0 519.577 4.032 50 5 KIBARN O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000009721051 553301123 /nfs/dbraw/zinc/30/11/23/553301123.db2.gz NPZHVEBXTWDUTC-UHFFFAOYSA-N 0 0 500.584 4.283 50 5 KIBARN O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1Cc1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000009850136 553312588 /nfs/dbraw/zinc/31/25/88/553312588.db2.gz YHLCMBCXIRFAOF-UHFFFAOYSA-N 0 0 514.611 4.343 50 5 KIBARN O=C(CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12)N1CCN(c2ccccc2)CC1 ZINC000009860239 553313804 /nfs/dbraw/zinc/31/38/04/553313804.db2.gz JTCURFXIEZURRM-UHFFFAOYSA-N 0 0 516.609 4.264 50 5 KIBARN O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000009891892 553314371 /nfs/dbraw/zinc/31/43/71/553314371.db2.gz GCFCWYKJLDMTEF-UHFFFAOYSA-N 0 0 506.578 4.251 50 5 KIBARN O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(N2CCN(C(=O)c3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000009891893 553314342 /nfs/dbraw/zinc/31/43/42/553314342.db2.gz GSBWLCNSEWICQF-UHFFFAOYSA-N 0 0 506.578 4.395 50 5 KIBARN C[C@H](Nc1cc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)ccc1[N+](=O)[O-])c1ccccc1 ZINC000009891925 553314571 /nfs/dbraw/zinc/31/45/71/553314571.db2.gz UXOCIACOHDGLFY-SFHVURJKSA-N 0 0 511.560 4.187 50 5 KIBARN C[C@@H](Nc1cc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)ccc1[N+](=O)[O-])c1ccccc1 ZINC000009891926 553314548 /nfs/dbraw/zinc/31/45/48/553314548.db2.gz UXOCIACOHDGLFY-GOSISDBHSA-N 0 0 511.560 4.187 50 5 KIBARN COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000009891949 553314574 /nfs/dbraw/zinc/31/45/74/553314574.db2.gz VUDBHZOKZNRRHS-LPYMAVHISA-N 0 0 516.510 4.022 50 5 KIBARN COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000009891950 553314561 /nfs/dbraw/zinc/31/45/61/553314561.db2.gz PSVJYOOAAJSHBZ-LPYMAVHISA-N 0 0 516.510 4.022 50 5 KIBARN COc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000009892028 553314554 /nfs/dbraw/zinc/31/45/54/553314554.db2.gz CWMZAUJIPJAENS-UHFFFAOYSA-N 0 0 501.495 4.466 50 5 KIBARN COc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@@H](C)c4ccccc4)c3)CC2)cc1OC ZINC000009892416 553314912 /nfs/dbraw/zinc/31/49/12/553314912.db2.gz GAXPWNNUVUSQBY-IBGZPJMESA-N 0 0 526.615 4.296 50 5 KIBARN COc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@H](C)c4ccccc4)c3)CC2)cc1OC ZINC000009892417 553314930 /nfs/dbraw/zinc/31/49/30/553314930.db2.gz GAXPWNNUVUSQBY-LJQANCHMSA-N 0 0 526.615 4.296 50 5 KIBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1NC1C2CC3CC(C2)CC1C3 ZINC000009892478 553315095 /nfs/dbraw/zinc/31/50/95/553315095.db2.gz NKDDBKXKMNCOJF-UHFFFAOYSA-N 0 0 514.623 4.481 50 5 KIBARN Cc1nn(-c2cc(N3CCN(C(=O)c4cccc(OC(C)C)c4)CC3)ccc2[N+](=O)[O-])c(=O)c2ccccc12 ZINC000009892479 553315121 /nfs/dbraw/zinc/31/51/21/553315121.db2.gz OTTIRILMUVFDMV-UHFFFAOYSA-N 0 0 527.581 4.352 50 5 KIBARN Cc1ccc(C(=O)N2CCN(c3ccc(C(=O)NC4C5CC6CC(C5)CC4C6)cc3[N+](=O)[O-])CC2)cc1 ZINC000009892485 553315128 /nfs/dbraw/zinc/31/51/28/553315128.db2.gz CVXBTMFGQWAFRN-UHFFFAOYSA-N 0 0 502.615 4.420 50 5 KIBARN O=C(c1ccccc1Br)N1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000009892489 553315086 /nfs/dbraw/zinc/31/50/86/553315086.db2.gz FTUNUYFYUJJZOR-UHFFFAOYSA-N 0 0 503.231 4.247 50 5 KIBARN Cc1ccccc1C(=O)N1CCN(c2ccc(C(=O)NC3C4CC5CC(C4)CC3C5)cc2[N+](=O)[O-])CC1 ZINC000009892490 553315145 /nfs/dbraw/zinc/31/51/45/553315145.db2.gz LPRGGIXCRUYOSK-UHFFFAOYSA-N 0 0 502.615 4.420 50 5 KIBARN COc1ccc(C(=O)N2CCN(c3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])CC2)cc1 ZINC000009892491 553315115 /nfs/dbraw/zinc/31/51/15/553315115.db2.gz PGFNJMDGWHMVTB-UHFFFAOYSA-N 0 0 518.614 4.264 50 5 KIBARN O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(N2CCN(C(=O)c3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000009892492 553315110 /nfs/dbraw/zinc/31/51/10/553315110.db2.gz DQCIUNSMILTOFU-UHFFFAOYSA-N 0 0 506.578 4.251 50 5 KIBARN O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)c([N+](=O)[O-])c1 ZINC000009892493 553315161 /nfs/dbraw/zinc/31/51/61/553315161.db2.gz CSAWAFIQRNIOLJ-UHFFFAOYSA-N 0 0 506.578 4.395 50 5 KIBARN O=C(NC(=S)Nc1ccc(N2CCCCC2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000009906308 553315463 /nfs/dbraw/zinc/31/54/63/553315463.db2.gz REEHATXVNLZHMO-UHFFFAOYSA-N 0 0 504.012 4.202 50 5 KIBARN COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000009907854 553316175 /nfs/dbraw/zinc/31/61/75/553316175.db2.gz VOZLLHSCHUIMEK-UHFFFAOYSA-N 0 0 522.945 4.250 50 5 KIBARN COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000009907855 553316224 /nfs/dbraw/zinc/31/62/24/553316224.db2.gz LWTUPYPYTXNIAP-UHFFFAOYSA-N 0 0 522.945 4.250 50 5 KIBARN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000009907927 553316354 /nfs/dbraw/zinc/31/63/54/553316354.db2.gz GEZQXAQZAAYZOW-UHFFFAOYSA-N 0 0 516.554 4.295 50 5 KIBARN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000009907963 553316553 /nfs/dbraw/zinc/31/65/53/553316553.db2.gz VJILMXODYKFLSV-UHFFFAOYSA-N 0 0 516.554 4.295 50 5 KIBARN COc1ccccc1NC(=O)c1sc2nc3n(c(=O)c2c1C)N=C(c1ccc([N+](=O)[O-])cc1)CS3 ZINC000009969254 553322236 /nfs/dbraw/zinc/32/22/36/553322236.db2.gz VFPMCYUUQDOMSE-UHFFFAOYSA-N 0 0 507.553 4.294 50 5 KIBARN CC(C)(C)c1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4cccnc4)c3)CC2)cc1 ZINC000009971721 553322756 /nfs/dbraw/zinc/32/27/56/553322756.db2.gz FHEKFWJQIPLHBX-UHFFFAOYSA-N 0 0 509.632 4.410 50 5 KIBARN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000010059883 553327484 /nfs/dbraw/zinc/32/74/84/553327484.db2.gz CYEMECOHWKKILN-UHFFFAOYSA-N 0 0 516.554 4.295 50 5 KIBARN Cc1cc(Cl)ccc1N(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000010060470 553327707 /nfs/dbraw/zinc/32/77/07/553327707.db2.gz DIMDWCSDPZQKSA-UHFFFAOYSA-N 0 0 511.921 4.049 50 5 KIBARN O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CC(=O)Nc2ccc(Br)cc2[C@@H]1c1ccccc1 ZINC000011617089 553339784 /nfs/dbraw/zinc/33/97/84/553339784.db2.gz YXVBVJAFHVWJFZ-NRFANRHFSA-N 0 0 511.288 4.449 50 5 KIBARN O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CC(=O)Nc2ccc(Br)cc2[C@H]1c1ccccc1 ZINC000011617090 553339815 /nfs/dbraw/zinc/33/98/15/553339815.db2.gz YXVBVJAFHVWJFZ-OAQYLSRUSA-N 0 0 511.288 4.449 50 5 KIBARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cc5c(cc4[N+](=O)[O-])OCCO5)cc3n2)cc1 ZINC000011667405 553340169 /nfs/dbraw/zinc/34/01/69/553340169.db2.gz JDGRJOJQNQINCT-UHFFFAOYSA-N 0 0 515.404 4.355 50 5 KIBARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)[C@H](CC)c1ccccc1 ZINC000011691296 553340513 /nfs/dbraw/zinc/34/05/13/553340513.db2.gz TUMJNYBDRQIAEQ-LUFFLOGQSA-N 0 0 520.589 4.495 50 5 KIBARN CCCCOc1ccc(C(=O)/N=c2\c(C(=O)OCC)cc3c(=O)n4ccccc4nc3n2CCC)cc1 ZINC000011691337 553340509 /nfs/dbraw/zinc/34/05/09/553340509.db2.gz RFUBRCUAYDTSRI-QCWLDUFUSA-N 0 0 502.571 4.156 50 5 KIBARN CCCn1c2nc3ccccn3c(=O)c2cc(C(=O)OCC)/c1=N\C(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000011691339 553340517 /nfs/dbraw/zinc/34/05/17/553340517.db2.gz XZSMUJSKQLOUPU-JJKYIXSRSA-N 0 0 522.989 4.174 50 5 KIBARN CCCCOc1ccc(C(=O)/N=c2\c(C(=O)OCC)cc3c(=O)n4ccccc4nc3n2C(C)C)cc1 ZINC000011691342 553340515 /nfs/dbraw/zinc/34/05/15/553340515.db2.gz DYQHEQASTBVTNL-QCWLDUFUSA-N 0 0 502.571 4.327 50 5 KIBARN CCCCOc1ccc(C(=O)/N=c2\c(C(=O)OCC)cc3c(=O)n4ccccc4nc3n2CC(C)C)cc1 ZINC000011691351 553340572 /nfs/dbraw/zinc/34/05/72/553340572.db2.gz UCUQGCXIOOZAET-GKPLWNPISA-N 0 0 516.598 4.402 50 5 KIBARN COc1cccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2COc2ccc([N+](=O)[O-])cc2)c1OC ZINC000011726267 553340561 /nfs/dbraw/zinc/34/05/61/553340561.db2.gz QRNLLBMWMUSIID-QFIPXVFZSA-N 0 0 508.527 4.448 50 5 KIBARN COc1cccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2COc2ccc([N+](=O)[O-])cc2)c1OC ZINC000011726268 553340606 /nfs/dbraw/zinc/34/06/06/553340606.db2.gz QRNLLBMWMUSIID-JOCHJYFZSA-N 0 0 508.527 4.448 50 5 KIBARN CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c1csc2NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000011757989 553341496 /nfs/dbraw/zinc/34/14/96/553341496.db2.gz XQYGDYRQXDMZFW-UHFFFAOYSA-N 0 0 528.930 4.446 50 5 KIBARN CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c1csc2NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000011757990 553341492 /nfs/dbraw/zinc/34/14/92/553341492.db2.gz YCJPTNSHVFEFTQ-UHFFFAOYSA-N 0 0 528.930 4.446 50 5 KIBARN CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c1csc2NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000011757991 553341510 /nfs/dbraw/zinc/34/15/10/553341510.db2.gz SJBHSHFANNUARY-UHFFFAOYSA-N 0 0 528.930 4.446 50 5 KIBARN Cn1c(=O)c2c(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)nc(-c3ccc([N+](=O)[O-])cc3)nc2n(C)c1=O ZINC000011758232 553342103 /nfs/dbraw/zinc/34/21/03/553342103.db2.gz NSTRFLRPXOUDFB-UHFFFAOYSA-N 0 0 580.932 4.005 50 5 KIBARN COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3C)n2-c2ccccc2)cc1 ZINC000011852248 553344455 /nfs/dbraw/zinc/34/44/55/553344455.db2.gz FBRJDPIQUFBJMZ-UHFFFAOYSA-N 0 0 532.582 4.153 50 5 KIBARN Cc1c(C(=O)NCc2nnc(SCC(=O)N3CCc4ccccc43)n2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000011852249 553344451 /nfs/dbraw/zinc/34/44/51/553344451.db2.gz MNWJQBUAVPEDOS-UHFFFAOYSA-N 0 0 528.594 4.095 50 5 KIBARN Cc1nnc(NC(=O)CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3C)n2-c2cccc(C(F)(F)F)c2)s1 ZINC000011852252 553344428 /nfs/dbraw/zinc/34/44/28/553344428.db2.gz UTPHDHMNJSULRZ-UHFFFAOYSA-N 0 0 592.585 4.323 50 5 KIBARN COc1ccccc1-n1c(CNC(=O)c2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)Nc1nc2ccccc2s1 ZINC000011852489 553345111 /nfs/dbraw/zinc/34/51/11/553345111.db2.gz XVVRYEVOPHZVBI-UHFFFAOYSA-N 0 0 575.632 4.455 50 5 KIBARN Cc1cc(C(=O)NCC(=O)OCC(=O)Nc2ccc(N(c3ccccc3)C(C)C)cc2)ccc1[N+](=O)[O-] ZINC000012311572 553357562 /nfs/dbraw/zinc/35/75/62/553357562.db2.gz FBMODYTZYSSHAD-UHFFFAOYSA-N 0 0 504.543 4.361 50 5 KIBARN COc1ccc(-c2csc(NC(=O)COC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1OC ZINC000012311818 553357683 /nfs/dbraw/zinc/35/76/83/553357683.db2.gz TUQYURTUPQUXNO-UHFFFAOYSA-N 0 0 512.544 4.131 50 5 KIBARN COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000012342347 553358766 /nfs/dbraw/zinc/35/87/66/553358766.db2.gz KYKCNWVSKHFWMC-UHFFFAOYSA-N 0 0 522.945 4.250 50 5 KIBARN O=C(C[C@H]1C(=O)N(c2ccccc2)C(=S)N1CNc1ccc([N+](=O)[O-])cn1)Nc1ccc(Cl)cc1 ZINC000012349971 553359101 /nfs/dbraw/zinc/35/91/01/553359101.db2.gz OIXPGXIGMHUDCF-IBGZPJMESA-N 0 0 510.963 4.044 50 5 KIBARN O=C(C[C@@H]1C(=O)N(c2ccccc2)C(=S)N1CNc1ccc([N+](=O)[O-])cn1)Nc1ccc(Cl)cc1 ZINC000012349976 553359121 /nfs/dbraw/zinc/35/91/21/553359121.db2.gz OIXPGXIGMHUDCF-LJQANCHMSA-N 0 0 510.963 4.044 50 5 KIBARN COc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nc(-c3ccc(OS(=O)(=O)N(C)C)cc3)no2)cc1 ZINC000012369499 553360164 /nfs/dbraw/zinc/36/01/64/553360164.db2.gz VUTIMAOOAZMHND-UHFFFAOYSA-N 0 0 512.500 4.298 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000012412454 553363926 /nfs/dbraw/zinc/36/39/26/553363926.db2.gz ZHZVLHPFQJREKK-JDCXBEBJSA-N 0 0 505.596 4.004 50 5 KIBARN Cc1ccc(OCCNC(=O)c2cc(C(=O)NCCOc3ccc(C)c(C)c3)cc([N+](=O)[O-])c2)cc1C ZINC000012462262 553367294 /nfs/dbraw/zinc/36/72/94/553367294.db2.gz NZKXVYIGYWUFED-UHFFFAOYSA-N 0 0 505.571 4.446 50 5 KIBARN O=C(N=P(N1CCOCC1)(N1CCOCC1)C12CC3CC(CC(C3)C1)C2)c1ccccc1[N+](=O)[O-] ZINC000012491766 553381176 /nfs/dbraw/zinc/38/11/76/553381176.db2.gz YYLOAZBWPIWXRU-UHFFFAOYSA-N 0 0 502.552 4.399 50 5 KIBARN CC(C)CCSc1ccc(C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000012526979 553384368 /nfs/dbraw/zinc/38/43/68/553384368.db2.gz NPAGIGVKTVSBLX-UHFFFAOYSA-N 0 0 500.621 4.280 50 5 KIBARN COc1ccc(NC(=O)[C@@H](OC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c2ccccc2)cc1Cl ZINC000012529246 553385392 /nfs/dbraw/zinc/38/53/92/553385392.db2.gz VXAIBIZLYYPMBV-NRFANRHFSA-N 0 0 518.931 4.197 50 5 KIBARN COc1ccc(NC(=O)[C@H](OC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c2ccccc2)cc1Cl ZINC000012529247 553385394 /nfs/dbraw/zinc/38/53/94/553385394.db2.gz VXAIBIZLYYPMBV-OAQYLSRUSA-N 0 0 518.931 4.197 50 5 KIBARN CCCCn1c2nc(-c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)n(CC)c2c(=O)[nH]c1=O ZINC000012530772 553385995 /nfs/dbraw/zinc/38/59/95/553385995.db2.gz ACQNHUOTLDLAEK-UHFFFAOYSA-N 0 0 502.325 4.304 50 5 KIBARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)COC(=O)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000012532940 553386987 /nfs/dbraw/zinc/38/69/87/553386987.db2.gz NVRQMTXVZCNNMD-FQEVSTJZSA-N 0 0 509.540 4.137 50 5 KIBARN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)COC(=O)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000012532943 553387016 /nfs/dbraw/zinc/38/70/16/553387016.db2.gz NVRQMTXVZCNNMD-HXUWFJFHSA-N 0 0 509.540 4.137 50 5 KIBARN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1 ZINC000012537527 553387848 /nfs/dbraw/zinc/38/78/48/553387848.db2.gz FKXRWWHZWZHEPM-UHFFFAOYSA-N 0 0 503.920 4.153 50 5 KIBARN COc1ccccc1-n1c(=O)c2ccccc2nc1SCC(=O)Nc1cc(OC)c([N+](=O)[O-])cc1C ZINC000012542203 553390193 /nfs/dbraw/zinc/39/01/93/553390193.db2.gz ZIZZGSYJIKTOGP-UHFFFAOYSA-N 0 0 506.540 4.350 50 5 KIBARN Cc1cc(C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])c(C)n1Cc1cccs1 ZINC000012542422 553390585 /nfs/dbraw/zinc/39/05/85/553390585.db2.gz NJZAFHSRBQOHEN-UHFFFAOYSA-N 0 0 503.602 4.169 50 5 KIBARN CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1C ZINC000012546694 553391889 /nfs/dbraw/zinc/39/18/89/553391889.db2.gz IIPVQMAKIREYHJ-UHFFFAOYSA-N 0 0 508.600 4.081 50 5 KIBARN CC(C)OC(=O)c1c(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)sc2c1CC[C@H](C)C2 ZINC000012546911 553392210 /nfs/dbraw/zinc/39/22/10/553392210.db2.gz DHGYHRQNRXODPG-KRWDZBQOSA-N 0 0 500.621 4.107 50 5 KIBARN CC(C)OC(=O)c1c(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)sc2c1CC[C@@H](C)C2 ZINC000012546912 553392211 /nfs/dbraw/zinc/39/22/11/553392211.db2.gz DHGYHRQNRXODPG-QGZVFWFLSA-N 0 0 500.621 4.107 50 5 KIBARN Cc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)c2)c(C)c1 ZINC000012549918 553392656 /nfs/dbraw/zinc/39/26/56/553392656.db2.gz FMWXXMHYONYYDM-UHFFFAOYSA-N 0 0 510.572 4.079 50 5 KIBARN CN(C)c1ccc(P(=Nc2ccccc2[N+](=O)[O-])(N2CCOCC2)N2CCOCC2)c2ccccc21 ZINC000012559071 553393945 /nfs/dbraw/zinc/39/39/45/553393945.db2.gz MEMVUGNLAHUWFO-UHFFFAOYSA-N 0 0 509.547 4.467 50 5 KIBARN COc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)NCCc2c[nH]c3ccccc23)cc1OC ZINC000012561407 553394581 /nfs/dbraw/zinc/39/45/81/553394581.db2.gz UCBPMRKGZBYFNY-IWIPYMOSSA-N 0 0 514.538 4.223 50 5 KIBARN O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NCCc1ccccc1 ZINC000012565558 553396598 /nfs/dbraw/zinc/39/65/98/553396598.db2.gz CEFYHJWIKNOCFP-UHFFFAOYSA-N 0 0 508.383 4.456 50 5 KIBARN O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)NCCc1ccccc1 ZINC000012565564 553396634 /nfs/dbraw/zinc/39/66/34/553396634.db2.gz OVCAONQKUCZZRI-UHFFFAOYSA-N 0 0 508.383 4.456 50 5 KIBARN Cc1cc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@H]3C)c2)c([N+](=O)[O-])cc1C ZINC000012566465 553397085 /nfs/dbraw/zinc/39/70/85/553397085.db2.gz HLTKKYKRQAIYPA-GOSISDBHSA-N 0 0 523.567 4.147 50 5 KIBARN Cc1cc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)c2)c([N+](=O)[O-])cc1C ZINC000012566466 553397091 /nfs/dbraw/zinc/39/70/91/553397091.db2.gz HLTKKYKRQAIYPA-SFHVURJKSA-N 0 0 523.567 4.147 50 5 KIBARN Cc1csc(Sc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[N+](=O)[O-])n1 ZINC000012568088 553397704 /nfs/dbraw/zinc/39/77/04/553397704.db2.gz VPAXXXJTGJCDOP-UHFFFAOYSA-N 0 0 517.614 4.110 50 5 KIBARN CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 ZINC000012568215 553397715 /nfs/dbraw/zinc/39/77/15/553397715.db2.gz IWOLWTBDGNXIMD-HSZRJFAPSA-N 0 0 501.568 4.251 50 5 KIBARN CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 ZINC000012568216 553397695 /nfs/dbraw/zinc/39/76/95/553397695.db2.gz IWOLWTBDGNXIMD-QHCPKHFHSA-N 0 0 501.568 4.251 50 5 KIBARN CCOc1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc(OCC)c1OCC ZINC000012571434 553398259 /nfs/dbraw/zinc/39/82/59/553398259.db2.gz RYUAYBJKGSTMOT-UHFFFAOYSA-N 0 0 511.325 4.349 50 5 KIBARN Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000012572936 553398437 /nfs/dbraw/zinc/39/84/37/553398437.db2.gz KHHJGILRQPYQMR-UHFFFAOYSA-N 0 0 515.979 4.484 50 5 KIBARN Cc1nn(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)c1Sc1ccc([N+](=O)[O-])cc1 ZINC000012583958 553399457 /nfs/dbraw/zinc/39/94/57/553399457.db2.gz YNGFQFIZWFMVPB-UHFFFAOYSA-N 0 0 500.602 4.422 50 5 KIBARN CCOc1ccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000012587008 553399872 /nfs/dbraw/zinc/39/98/72/553399872.db2.gz YPUIEKPLVDHQHR-UHFFFAOYSA-N 0 0 519.963 4.490 50 5 KIBARN COc1ccc(N(CC(=O)N2c3ccccc3C[C@@H]2C)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000012587065 553399899 /nfs/dbraw/zinc/39/98/99/553399899.db2.gz INMDMIGLMBBMKR-INIZCTEOSA-N 0 0 515.975 4.430 50 5 KIBARN COc1ccc(N(CC(=O)N2c3ccccc3C[C@H]2C)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000012587072 553399845 /nfs/dbraw/zinc/39/98/45/553399845.db2.gz INMDMIGLMBBMKR-MRXNPFEDSA-N 0 0 515.975 4.430 50 5 KIBARN COc1ccc(CCNC(=O)CSc2nc3cc([N+](=O)[O-])ccc3n2-c2ccccc2OC)cc1OC ZINC000012591827 553400621 /nfs/dbraw/zinc/40/06/21/553400621.db2.gz ZCFGCFVWRUYELK-UHFFFAOYSA-N 0 0 522.583 4.411 50 5 KIBARN O=C(CNC(=O)c1ccccc1)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000012599607 553400821 /nfs/dbraw/zinc/40/08/21/553400821.db2.gz ZYDRJRRWRYRYLG-NRFANRHFSA-N 0 0 512.316 4.010 50 5 KIBARN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000012599608 553400865 /nfs/dbraw/zinc/40/08/65/553400865.db2.gz QRKGYQLABSYXEC-UHFFFAOYSA-N 0 0 503.558 4.003 50 5 KIBARN O=C(CNC(=O)c1ccccc1)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000012599609 553400827 /nfs/dbraw/zinc/40/08/27/553400827.db2.gz ZYDRJRRWRYRYLG-OAQYLSRUSA-N 0 0 512.316 4.010 50 5 KIBARN COc1ccc(N(CC(=O)N2CCc3ccccc3C2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000012600580 553401344 /nfs/dbraw/zinc/40/13/44/553401344.db2.gz NNFJWRWZLNYESB-UHFFFAOYSA-N 0 0 515.975 4.037 50 5 KIBARN COc1cccc(NC(=O)COc2ccc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2)c1 ZINC000012602415 553402023 /nfs/dbraw/zinc/40/20/23/553402023.db2.gz BTSRWEAQDXVTNO-UHFFFAOYSA-N 0 0 513.890 4.070 50 5 KIBARN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000012602595 553402037 /nfs/dbraw/zinc/40/20/37/553402037.db2.gz OVIFBQULDBPMRW-UHFFFAOYSA-N 0 0 503.558 4.003 50 5 KIBARN COc1ccccc1-n1c2ccc([N+](=O)[O-])cc2nc1SCC(=O)N[C@@H](Cc1ccccc1)C(C)=O ZINC000012603237 553402187 /nfs/dbraw/zinc/40/21/87/553402187.db2.gz RDMVYBTXIYVXPI-FQEVSTJZSA-N 0 0 504.568 4.351 50 5 KIBARN COc1ccccc1-n1c2ccc([N+](=O)[O-])cc2nc1SCC(=O)N[C@H](Cc1ccccc1)C(C)=O ZINC000012603241 553402233 /nfs/dbraw/zinc/40/22/33/553402233.db2.gz RDMVYBTXIYVXPI-HXUWFJFHSA-N 0 0 504.568 4.351 50 5 KIBARN O=C(OCc1ccc(Br)cc1)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000012621179 553403689 /nfs/dbraw/zinc/40/36/89/553403689.db2.gz ZFHFDNXKBMQWFF-UHFFFAOYSA-N 0 0 517.785 4.155 50 5 KIBARN COc1ccc(N(S(=O)(=O)c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000012621734 553403686 /nfs/dbraw/zinc/40/36/86/553403686.db2.gz ALWOWFXFMGUJTM-UHFFFAOYSA-N 0 0 510.977 4.458 50 5 KIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000012624487 553404640 /nfs/dbraw/zinc/40/46/40/553404640.db2.gz IHQNKKHDJHRLSX-JPYJTQIMSA-N 0 0 521.526 4.011 50 5 KIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000012624489 553404637 /nfs/dbraw/zinc/40/46/37/553404637.db2.gz IHQNKKHDJHRLSX-MBSDFSHPSA-N 0 0 521.526 4.011 50 5 KIBARN COc1ccc(N(CC(=O)NCCCc2ccccc2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000012624750 553404875 /nfs/dbraw/zinc/40/48/75/553404875.db2.gz WAEUAGFHZZKMQW-UHFFFAOYSA-N 0 0 517.991 4.201 50 5 KIBARN O=[N+]([O-])c1cc(S(=O)(=O)N(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl ZINC000012632369 553405692 /nfs/dbraw/zinc/40/56/92/553405692.db2.gz YQCMSPVUIGSPMZ-UHFFFAOYSA-N 0 0 501.369 4.481 50 5 KIBARN CCCn1nc2ccccc2c1P(=Nc1cc([N+](=O)[O-])ccc1OC)(N1CCOCC1)N1CCOCC1 ZINC000012633059 553405904 /nfs/dbraw/zinc/40/59/04/553405904.db2.gz TXWNJQJVULFMEY-UHFFFAOYSA-N 0 0 528.550 4.016 50 5 KIBARN CCCC(=O)c1ccc2c(c1)nc(Sc1ccc(S(=O)(=O)N3CCOCC3)cc1[N+](=O)[O-])n2CC ZINC000012641421 553408313 /nfs/dbraw/zinc/40/83/13/553408313.db2.gz AKPDCWFZMHUDCX-UHFFFAOYSA-N 0 0 518.617 4.119 50 5 KIBARN COc1ccc(N(CC(=O)Nc2ccccc2OC)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000012649985 553409348 /nfs/dbraw/zinc/40/93/48/553409348.db2.gz OZNAYRFOFSJULI-UHFFFAOYSA-N 0 0 505.936 4.099 50 5 KIBARN COC(=O)c1c(NC(=O)COC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000012654510 553410384 /nfs/dbraw/zinc/41/03/84/553410384.db2.gz WVPXKWXBWNXHEJ-UHFFFAOYSA-N 0 0 515.588 4.354 50 5 KIBARN O=C(NC(=S)Nc1cccc(Cl)c1N1CCOCC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000012855059 553422299 /nfs/dbraw/zinc/42/22/99/553422299.db2.gz NDXTWRVCDJVAQB-UHFFFAOYSA-N 0 0 504.012 4.202 50 5 KIBARN O=C(c1ccccc1I)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000012858612 553422648 /nfs/dbraw/zinc/42/26/48/553422648.db2.gz MKXIJGSFYFEXKT-UHFFFAOYSA-N 0 0 520.371 4.152 50 5 KIBARN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000012860743 553422913 /nfs/dbraw/zinc/42/29/13/553422913.db2.gz UBBYIFPJZUNRHJ-UHFFFAOYSA-N 0 0 502.556 4.102 50 5 KIBARN COc1ccc([C@@H]2C[C@H](CNC(=O)C3CCN(c4c([N+](=O)[O-])cc(C(F)(F)F)cc4[N+](=O)[O-])CC3)ON2C)cc1 ZINC000012949907 553428346 /nfs/dbraw/zinc/42/83/46/553428346.db2.gz GEOKJAUUTGCLSD-UXHICEINSA-N 0 0 567.521 4.240 50 5 KIBARN CN1O[C@@H](CNC(=O)C2CCN(c3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C[C@H]1c1ccccc1 ZINC000012949914 553428373 /nfs/dbraw/zinc/42/83/73/553428373.db2.gz IJGWXJYKPWJGNX-MOPGFXCFSA-N 0 0 537.495 4.231 50 5 KIBARN COC(=O)c1c(COC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)nc2ccccc2c1-c1ccccc1 ZINC000013017677 553433226 /nfs/dbraw/zinc/43/32/26/553433226.db2.gz LWZAMDDFCKWBKD-UHFFFAOYSA-N 0 0 513.506 4.460 50 5 KIBARN COc1ccc(NS(=O)(=O)c2ccc(Sc3nnc(-c4ccc(F)cc4)n3C)c([N+](=O)[O-])c2)cc1 ZINC000013063425 553443707 /nfs/dbraw/zinc/44/37/07/553443707.db2.gz PWRGOHPBYSSHRC-UHFFFAOYSA-N 0 0 515.548 4.490 50 5 KIBARN COc1ccc(/C=C/C(=O)OCc2nc3ccccc3c3ccccc23)cc1S(=O)(=O)N1CCOCC1 ZINC000013063667 553443698 /nfs/dbraw/zinc/44/36/98/553443698.db2.gz BTQAYMQSPFEELD-ACCUITESSA-N 0 0 518.591 4.174 50 5 KIBARN O=C(CSc1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000013095867 553446104 /nfs/dbraw/zinc/44/61/04/553446104.db2.gz FBSSHWNKJYJMHZ-UHFFFAOYSA-N 0 0 517.608 4.180 50 5 KIBARN CS(=O)(=O)c1ccc(C(=O)OCC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000013102216 553447837 /nfs/dbraw/zinc/44/78/37/553447837.db2.gz GUDKOTYIEYAWCG-HXUWFJFHSA-N 0 0 512.565 4.035 50 5 KIBARN CS(=O)(=O)c1ccc(C(=O)OCC(=O)N2c3ccccc3SC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000013102218 553447826 /nfs/dbraw/zinc/44/78/26/553447826.db2.gz GUDKOTYIEYAWCG-FQEVSTJZSA-N 0 0 512.565 4.035 50 5 KIBARN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000013113123 553448574 /nfs/dbraw/zinc/44/85/74/553448574.db2.gz HSJZCMNZVROOSG-UHFFFAOYSA-N 0 0 524.599 4.269 50 5 KIBARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000013119867 553449409 /nfs/dbraw/zinc/44/94/09/553449409.db2.gz JHLLNLBKLRBGNY-UHFFFAOYSA-N 0 0 512.563 4.400 50 5 KIBARN CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000013128781 553450040 /nfs/dbraw/zinc/45/00/40/553450040.db2.gz PQIOMLNUBRDWCY-UHFFFAOYSA-N 0 0 500.602 4.322 50 5 KIBARN Cc1nc(N2CCCCC2)sc1C(=O)c1ccc(NN2C(=O)NC3(CCC(C)CC3)C2=O)c([N+](=O)[O-])c1 ZINC000013129407 553450614 /nfs/dbraw/zinc/45/06/14/553450614.db2.gz SDFQJJZTYWWXSN-UHFFFAOYSA-N 0 0 526.619 4.409 50 5 KIBARN CC(C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)OCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000013141699 553454425 /nfs/dbraw/zinc/45/44/25/553454425.db2.gz ZYABSTUNRAAZNP-DEOSSOPVSA-N 0 0 523.973 4.452 50 5 KIBARN Cc1ccc(-n2c(CCC(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)nc3ccccc3c2=O)cc1 ZINC000013165244 553457462 /nfs/dbraw/zinc/45/74/62/553457462.db2.gz GBPQKRFVUWOBNX-UHFFFAOYSA-N 0 0 501.495 4.145 50 5 KIBARN Cc1nn(-c2ccccc2)c(C)c1P(=Nc1ccc([N+](=O)[O-])cc1)(N1CCOCC1)N1CCOCC1 ZINC000013303008 553458124 /nfs/dbraw/zinc/45/81/24/553458124.db2.gz TVTUFZOVNLKHOC-UHFFFAOYSA-N 0 0 510.535 4.050 50 5 KIBARN CC(C)C[C@@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1)C(=O)OCc1ccccc1 ZINC000013370243 553458792 /nfs/dbraw/zinc/45/87/92/553458792.db2.gz YADKQINMTPWLBG-YTMAHBJJSA-N 0 0 505.527 4.233 50 5 KIBARN CC(C)C[C@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1)C(=O)OCc1ccccc1 ZINC000013370246 553458808 /nfs/dbraw/zinc/45/88/08/553458808.db2.gz YADKQINMTPWLBG-AEUZFIIDSA-N 0 0 505.527 4.233 50 5 KIBARN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(O)c3)S(=O)(=O)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000013523745 553468440 /nfs/dbraw/zinc/46/84/40/553468440.db2.gz LNKICYFZMXUPEP-AQIZGWBQSA-N 0 0 510.524 4.209 50 5 KIBARN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(O)c3)S(=O)(=O)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000013523750 553468441 /nfs/dbraw/zinc/46/84/41/553468441.db2.gz LNKICYFZMXUPEP-ZDGAQAAHSA-N 0 0 510.524 4.209 50 5 KIBARN CCOc1ccc(N2C(=O)/C(=C\c3ccc(O)c(OC)c3)S(=O)(=O)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000013523754 553468369 /nfs/dbraw/zinc/46/83/69/553468369.db2.gz FJLJOQIRHXPRGE-AQIZGWBQSA-N 0 0 510.524 4.209 50 5 KIBARN CCOc1ccc(N2C(=O)/C(=C\c3ccc(O)c(OC)c3)S(=O)(=O)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000013523758 553468368 /nfs/dbraw/zinc/46/83/68/553468368.db2.gz FJLJOQIRHXPRGE-ZDGAQAAHSA-N 0 0 510.524 4.209 50 5 KIBARN COCCn1c(-c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)nc2c1c(=O)[nH]c(=O)n2CC(C)C ZINC000013526365 553469152 /nfs/dbraw/zinc/46/91/52/553469152.db2.gz OWNOPYLGXQVNGL-UHFFFAOYSA-N 0 0 513.938 4.210 50 5 KIBARN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCCSCc1ccc(Cl)cc1 ZINC000013615192 553478019 /nfs/dbraw/zinc/47/80/19/553478019.db2.gz WWMPVVUZDXKDKT-UHFFFAOYSA-N 0 0 520.032 4.493 50 5 KIBARN Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@H](C(=O)c2cccnc2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN21 ZINC000013811731 553492654 /nfs/dbraw/zinc/49/26/54/553492654.db2.gz ADMFIICMWZIGRN-RNLGNXJRSA-N 0 0 500.580 4.425 50 5 KIBARN Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@H](C(=O)c2cccnc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN21 ZINC000013811733 553492652 /nfs/dbraw/zinc/49/26/52/553492652.db2.gz ADMFIICMWZIGRN-NBCVKUGOSA-N 0 0 500.580 4.425 50 5 KIBARN Cc1ccc(Cl)cc1N(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000013838704 553493102 /nfs/dbraw/zinc/49/31/02/553493102.db2.gz AJESOGDRWJOSEY-UHFFFAOYSA-N 0 0 511.921 4.049 50 5 KIBARN O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000013857322 553493498 /nfs/dbraw/zinc/49/34/98/553493498.db2.gz BMQHKZUCCHNDOQ-IAGOWNOFSA-N 0 0 504.326 4.317 50 5 KIBARN Cc1nn(Cc2c(C)onc2C(=O)N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c(C)c1[N+](=O)[O-] ZINC000013961294 553498612 /nfs/dbraw/zinc/49/86/12/553498612.db2.gz NTCMWJITTUXWTG-UHFFFAOYSA-N 0 0 507.378 4.018 50 5 KIBARN CCOc1ccc(NC(=O)CCSCCC(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000013985889 553498921 /nfs/dbraw/zinc/49/89/21/553498921.db2.gz CKHUVIMLVWYAOE-UHFFFAOYSA-N 0 0 506.537 4.391 50 5 KIBARN O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000014008939 553499286 /nfs/dbraw/zinc/49/92/86/553499286.db2.gz UCSRYQGLKDZTEZ-UHFFFAOYSA-N 0 0 508.537 4.389 50 5 KIBARN O=C(COC(=O)c1ccc([N+](=O)[O-])o1)N(C[C@@H]1CCOC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000014167289 553506008 /nfs/dbraw/zinc/50/60/08/553506008.db2.gz CPUZOTBUEHGDDF-NSHDSACASA-N 0 0 510.343 4.452 50 5 KIBARN O=C(COC(=O)c1ccc([N+](=O)[O-])o1)N(C[C@H]1CCOC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000014167292 553505923 /nfs/dbraw/zinc/50/59/23/553505923.db2.gz CPUZOTBUEHGDDF-LLVKDONJSA-N 0 0 510.343 4.452 50 5 KIBARN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NCCSCc1cccc(Cl)c1 ZINC000014186014 553506122 /nfs/dbraw/zinc/50/61/22/553506122.db2.gz YUTJJBDLMDRHBG-UHFFFAOYSA-N 0 0 520.032 4.493 50 5 KIBARN CC(C)(C)C(=O)COC(=O)c1ccccc1Sc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000014241391 553506497 /nfs/dbraw/zinc/50/64/97/553506497.db2.gz YHTZZRURZZKXML-UHFFFAOYSA-N 0 0 506.602 4.303 50 5 KIBARN COc1ccc(NS(=O)(=O)c2ccc(Cl)c(NC(=O)CC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000014360466 553513982 /nfs/dbraw/zinc/51/39/82/553513982.db2.gz NZVLSFBSSFIPCU-UHFFFAOYSA-N 0 0 503.920 4.269 50 5 KIBARN Cc1nn(CC(=O)Nc2c(Br)cc([N+](=O)[O-])cc2Br)c(C)c1Br ZINC000015086113 553527812 /nfs/dbraw/zinc/52/78/12/553527812.db2.gz LVUQUEYXAGBFIB-UHFFFAOYSA-N 0 0 510.968 4.334 50 5 KIBARN O=C(C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc(Br)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000015229331 553529657 /nfs/dbraw/zinc/52/96/57/553529657.db2.gz KMUMHUVHVXGJHK-FQEVSTJZSA-N 0 0 509.316 4.354 50 5 KIBARN COc1ccc(Cl)cc1N(CC(=O)NCCc1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000015229727 553529659 /nfs/dbraw/zinc/52/96/59/553529659.db2.gz CECREJZKXBRUAY-UHFFFAOYSA-N 0 0 517.991 4.119 50 5 KIBARN CCOC(=O)c1c(C)c(C(=O)NC2CCCCC2)sc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000015277502 553530701 /nfs/dbraw/zinc/53/07/01/553530701.db2.gz CVMYVATYIRSOKR-UHFFFAOYSA-N 0 0 504.521 4.364 50 5 KIBARN CCC(CC)C(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccccc3[N+](=O)[O-])co2)s1 ZINC000015391467 553532535 /nfs/dbraw/zinc/53/25/35/553532535.db2.gz VLMIOWIZKPLZFJ-UHFFFAOYSA-N 0 0 504.546 4.286 50 5 KIBARN CCC(CC)C(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3cccc([N+](=O)[O-])c3)co2)s1 ZINC000015391469 553532541 /nfs/dbraw/zinc/53/25/41/553532541.db2.gz ZPEXNZMBRNEIEW-UHFFFAOYSA-N 0 0 504.546 4.286 50 5 KIBARN CCC(CC)C(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc([N+](=O)[O-])cc3)co2)s1 ZINC000015391471 553532545 /nfs/dbraw/zinc/53/25/45/553532545.db2.gz ZZVPFJAMPVZOKA-UHFFFAOYSA-N 0 0 504.546 4.286 50 5 KIBARN COc1ccc(C(=O)N/C(=C\c2cc(OC)c(OC)cc2[N+](=O)[O-])C(=O)Nc2ccccc2OC)cc1 ZINC000015658941 553533932 /nfs/dbraw/zinc/53/39/32/553533932.db2.gz MTAOTYOUWYTRCF-MOSHPQCFSA-N 0 0 507.499 4.039 50 5 KIBARN COC(=O)c1ccc(NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(=O)c2ccc(Br)o2)cc1 ZINC000015746663 553536086 /nfs/dbraw/zinc/53/60/86/553536086.db2.gz PHWIJJCGHLSWBW-SFQUDFHCSA-N 0 0 514.288 4.147 50 5 KIBARN Cc1ccc(-c2nn3c(nc(N4CCN(c5ccc(C(F)(F)F)cc5[N+](=O)[O-])CC4)cc3=O)s2)cc1 ZINC000015769203 553536043 /nfs/dbraw/zinc/53/60/43/553536043.db2.gz LOFYMOWRTWNCHC-UHFFFAOYSA-N 0 0 516.505 4.380 50 5 KIBARN CC(=O)Oc1c(C2=NN(C(C)=O)[C@@H](c3cc(C)nc4ccccc43)O2)cc(Br)cc1[N+](=O)[O-] ZINC000015785721 553536617 /nfs/dbraw/zinc/53/66/17/553536617.db2.gz FEYUCJXCHBZXCG-JOCHJYFZSA-N 0 0 513.304 4.378 50 5 KIBARN CC(=O)Oc1c(C2=NN(C(C)=O)[C@H](c3cc(C)nc4ccccc43)O2)cc(Br)cc1[N+](=O)[O-] ZINC000015785722 553536722 /nfs/dbraw/zinc/53/67/22/553536722.db2.gz FEYUCJXCHBZXCG-QFIPXVFZSA-N 0 0 513.304 4.378 50 5 KIBARN O=C(c1cc(I)ccc1Cl)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000015821375 553536794 /nfs/dbraw/zinc/53/67/94/553536794.db2.gz NWXYAMBRUYJJPI-UHFFFAOYSA-N 0 0 506.127 4.469 50 5 KIBARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCOCC3)c2C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000015946698 553544650 /nfs/dbraw/zinc/54/46/50/553544650.db2.gz HTTAFJSRNXWGID-MRXNPFEDSA-N 0 0 500.621 4.330 50 5 KIBARN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CCOCC3)c2C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000015946700 553544665 /nfs/dbraw/zinc/54/46/65/553544665.db2.gz HTTAFJSRNXWGID-INIZCTEOSA-N 0 0 500.621 4.330 50 5 KIBARN C[C@H](OC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000015979425 553548354 /nfs/dbraw/zinc/54/83/54/553548354.db2.gz OHLSXGXNIWPXTD-OAGGEKHMSA-N 0 0 523.995 4.099 50 5 KIBARN C[C@H](OC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000015979432 553548345 /nfs/dbraw/zinc/54/83/45/553548345.db2.gz OHLSXGXNIWPXTD-XHSDSOJGSA-N 0 0 523.995 4.099 50 5 KIBARN CCOc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)Nc4cc(C)c(C)cc4[N+](=O)[O-])cc3C2=O)cc1 ZINC000015980393 553548553 /nfs/dbraw/zinc/54/85/53/553548553.db2.gz AHKZGUUWJMOECX-UHFFFAOYSA-N 0 0 517.494 4.206 50 5 KIBARN C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000015981370 553548900 /nfs/dbraw/zinc/54/89/00/553548900.db2.gz DADKSMVCYQSVNY-LJQCHSNASA-N 0 0 510.056 4.370 50 5 KIBARN C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000015981372 553548876 /nfs/dbraw/zinc/54/88/76/553548876.db2.gz DADKSMVCYQSVNY-KSKOPSKJSA-N 0 0 510.056 4.370 50 5 KIBARN O=C(Nc1nc(-c2ccccc2)cs1)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000015981939 553549005 /nfs/dbraw/zinc/54/90/05/553549005.db2.gz ZOOBZOJAKUDSMW-UHFFFAOYSA-N 0 0 506.993 4.411 50 5 KIBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000015996884 553549552 /nfs/dbraw/zinc/54/95/52/553549552.db2.gz RJXNBZRXDNKBQO-KEZOAJOQSA-N 0 0 514.925 4.402 50 5 KIBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000015997123 553549562 /nfs/dbraw/zinc/54/95/62/553549562.db2.gz FPGFSNILVCQDKB-KEZOAJOQSA-N 0 0 514.925 4.402 50 5 KIBARN O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000016035251 553552007 /nfs/dbraw/zinc/55/20/07/553552007.db2.gz ZULPAKODZSFDPI-KEZOAJOQSA-N 0 0 514.925 4.402 50 5 KIBARN COc1ccc(C(=O)C2=C3C(O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@H]3[C@H]3c4ccccc4C=CN23)cc1 ZINC000016037628 553552513 /nfs/dbraw/zinc/55/25/13/553552513.db2.gz HGLVIFNJPCFVLH-POTDNYQPSA-N 0 0 509.518 4.310 50 5 KIBARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]3[C@H]3c4ccccc4C=CN23)cc1 ZINC000016037913 553552599 /nfs/dbraw/zinc/55/25/99/553552599.db2.gz PWIOCAWDPSREDL-POTDNYQPSA-N 0 0 509.518 4.310 50 5 KIBARN CC(=O)c1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4cccc([N+](=O)[O-])c4)N4C=Cc5ccccc5[C@H]34)C2O)cc1 ZINC000016038080 553552547 /nfs/dbraw/zinc/55/25/47/553552547.db2.gz VEJLLEOZYHEJOX-QUMGSSFMSA-N 0 0 507.502 4.196 50 5 KIBARN O=C(C1=C2C(O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12)c1ccc(Cl)cc1 ZINC000016038149 553552559 /nfs/dbraw/zinc/55/25/59/553552559.db2.gz UAYKPOXLAOMKCT-AFXVXQJMSA-N 0 0 500.898 4.010 50 5 KIBARN O=C(C1=C2C(O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12)c1ccc(Cl)cc1 ZINC000016039527 553552869 /nfs/dbraw/zinc/55/28/69/553552869.db2.gz CRGUNCJDWJDPDE-KAOXLYBCSA-N 0 0 500.898 4.010 50 5 KIBARN COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1-c1cc2ccccc2oc1=O ZINC000016215025 553556878 /nfs/dbraw/zinc/55/68/78/553556878.db2.gz NJLVRCGQGBGKRG-UHFFFAOYSA-N 0 0 501.495 4.466 50 5 KIBARN COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1Br ZINC000016226590 553557175 /nfs/dbraw/zinc/55/71/75/553557175.db2.gz BZKOWKZZYZHZIS-UHFFFAOYSA-N 0 0 503.397 4.319 50 5 KIBARN COc1ccc(Br)cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000016226765 553557205 /nfs/dbraw/zinc/55/72/05/553557205.db2.gz BEYKBZPOMZDWBD-UHFFFAOYSA-N 0 0 503.397 4.319 50 5 KIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 ZINC000016226993 553557332 /nfs/dbraw/zinc/55/73/32/553557332.db2.gz XGMPNFZXJWBINL-UHFFFAOYSA-N 0 0 505.936 4.099 50 5 KIBARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc2)cc1OC ZINC000016227541 553557471 /nfs/dbraw/zinc/55/74/71/553557471.db2.gz OXNMRWFHGPIKLM-UHFFFAOYSA-N 0 0 505.936 4.099 50 5 KIBARN COc1ccc(N(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000016276237 553558288 /nfs/dbraw/zinc/55/82/88/553558288.db2.gz GXJMIVDLHLZARQ-UHFFFAOYSA-N 0 0 503.964 4.077 50 5 KIBARN O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000016320121 553560099 /nfs/dbraw/zinc/56/00/99/553560099.db2.gz HWWGUMTVKULUHR-UHFFFAOYSA-N 0 0 504.543 4.313 50 5 KIBARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2cc(C)cc(C)c2)cc1OC ZINC000016346629 553560654 /nfs/dbraw/zinc/56/06/54/553560654.db2.gz AETFJWUGCHZTAS-UHFFFAOYSA-N 0 0 513.572 4.371 50 5 KIBARN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(Br)cc1F ZINC000016347007 553560631 /nfs/dbraw/zinc/56/06/31/553560631.db2.gz YWLIWEDIQPSLQL-UHFFFAOYSA-N 0 0 508.325 4.330 50 5 KIBARN O=C(Nc1ccccc1C(F)(F)F)c1ccc(NCCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c([N+](=O)[O-])c1 ZINC000016361680 553561188 /nfs/dbraw/zinc/56/11/88/553561188.db2.gz JRYVYQSNTMJJDW-HZPDHXFCSA-N 0 0 504.465 4.453 50 5 KIBARN O=C(Nc1ccccc1C(F)(F)F)c1ccc(NCCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c([N+](=O)[O-])c1 ZINC000016362087 553561204 /nfs/dbraw/zinc/56/12/04/553561204.db2.gz WYRCGAGVKQIRBR-HZPDHXFCSA-N 0 0 502.449 4.229 50 5 KIBARN O=C(c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000016384451 553561926 /nfs/dbraw/zinc/56/19/26/553561926.db2.gz WXFPWXXHRZXXAN-UHFFFAOYSA-N 0 0 507.469 4.475 50 5 KIBARN O=C(c1cccc(I)c1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000016393509 553562274 /nfs/dbraw/zinc/56/22/74/553562274.db2.gz YESMHDZROHXDNH-UHFFFAOYSA-N 0 0 520.371 4.152 50 5 KIBARN O=[N+]([O-])c1ccc2nc(N3CCN(c4nc5ccc([N+](=O)[O-])cc5nc4Cl)CC3)c(Cl)nc2c1 ZINC000016431427 553563299 /nfs/dbraw/zinc/56/32/99/553563299.db2.gz BUKKTHMKGWEEBM-UHFFFAOYSA-N 0 0 501.290 4.023 50 5 KIBARN CC(C)CN(CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000016653441 553571278 /nfs/dbraw/zinc/57/12/78/553571278.db2.gz MFYJWBGINAUDKK-UHFFFAOYSA-N 0 0 503.552 4.203 50 5 KIBARN O=c1/c(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2nc3cc(Br)cnc3n12 ZINC000016675967 553571699 /nfs/dbraw/zinc/57/16/99/553571699.db2.gz PKVPWLXQUUAHTP-APSNUPSMSA-N 0 0 503.721 4.436 50 5 KIBARN O=c1/c(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)sc2nc3cc(Br)cnc3n12 ZINC000016676137 553571712 /nfs/dbraw/zinc/57/17/12/553571712.db2.gz CZXNKOQOYBINFG-APSNUPSMSA-N 0 0 503.721 4.436 50 5 KIBARN COCCCNC(=O)/C(=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 ZINC000016711577 553575017 /nfs/dbraw/zinc/57/50/17/553575017.db2.gz YILAAUJGMGAMQV-XHPQRKPJSA-N 0 0 525.565 4.371 50 5 KIBARN O=C(Nc1ccc2c(c1)OCCOCCOCCOCCO2)c1cccc2c(=O)c3ccccc3oc12 ZINC000016955701 553585018 /nfs/dbraw/zinc/58/50/18/553585018.db2.gz SHGITZWOTNFBSU-UHFFFAOYSA-N 0 0 505.523 4.020 50 5 KIBARN Cc1nn(-c2ccccc2)c(OC(=O)[C@@H](C)Oc2ccccc2)c1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000016976795 553585759 /nfs/dbraw/zinc/58/57/59/553585759.db2.gz WUYAQINHDBSDRK-GOSISDBHSA-N 0 0 507.524 4.295 50 5 KIBARN Cc1nn(-c2ccccc2)c(OC(=O)[C@H](C)Oc2ccccc2)c1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000016976801 553585766 /nfs/dbraw/zinc/58/57/66/553585766.db2.gz WUYAQINHDBSDRK-SFHVURJKSA-N 0 0 507.524 4.295 50 5 KIBARN Cc1nn(-c2ccccc2)c(OC(=O)c2ccc([N+](=O)[O-])cc2)c1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000016976911 553585798 /nfs/dbraw/zinc/58/57/98/553585798.db2.gz SIYPHTOQGSSHRY-UHFFFAOYSA-N 0 0 508.468 4.049 50 5 KIBARN Cc1nn(-c2ccccc2)c(OC(=O)c2cccc([N+](=O)[O-])c2)c1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000016976946 553586055 /nfs/dbraw/zinc/58/60/55/553586055.db2.gz IYWAPTLYWSYYIV-UHFFFAOYSA-N 0 0 508.468 4.049 50 5 KIBARN Cc1cc(C)n2c(Br)c(CN3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)nc2n1 ZINC000017012096 553586266 /nfs/dbraw/zinc/58/62/66/553586266.db2.gz OJZFREPFHILKOX-UHFFFAOYSA-N 0 0 513.318 4.358 50 5 KIBARN CCOC(=O)c1cc([N+](=O)[O-])sc1NC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000017306450 553592853 /nfs/dbraw/zinc/59/28/53/553592853.db2.gz NUNUKWHQRXVEPL-UHFFFAOYSA-N 0 0 515.569 4.227 50 5 KIBARN CCOc1ccc(CC(=O)Oc2c(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(C)nn2-c2ccccc2)cc1 ZINC000017307658 553593158 /nfs/dbraw/zinc/59/31/58/553593158.db2.gz QPJLZEMDEKAGQL-UHFFFAOYSA-N 0 0 521.551 4.469 50 5 KIBARN CN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)[C@H]1c1ccccc1 ZINC000017574283 553597664 /nfs/dbraw/zinc/59/76/64/553597664.db2.gz OWZAHLFMWUAULW-BWKNWUBXSA-N 0 0 535.354 4.360 50 5 KIBARN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000017750479 553599673 /nfs/dbraw/zinc/59/96/73/553599673.db2.gz LAWHJOWCNVZMAM-ZRBLBEILSA-N 0 0 509.902 4.317 50 5 KIBARN COc1cc([C@@H]2c3c(O)n(-c4ccc(C)cc4C)c(O)c3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000017837254 553599993 /nfs/dbraw/zinc/59/99/93/553599993.db2.gz RJBSDGADCGPIIN-SDHSZQHLSA-N 0 0 503.511 4.280 50 5 KIBARN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000018083881 553603788 /nfs/dbraw/zinc/60/37/88/553603788.db2.gz FEIXJYOIIGFHJV-GVAUOCQISA-N 0 0 503.511 4.443 50 5 KIBARN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(Cl)cc3)N3N=Cc4ccccc4[C@H]23)C1O ZINC000018100074 553604125 /nfs/dbraw/zinc/60/41/25/553604125.db2.gz SYGWZMRGVYPKEI-KEZOAJOQSA-N 0 0 514.925 4.318 50 5 KIBARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000018125925 553605459 /nfs/dbraw/zinc/60/54/59/553605459.db2.gz LJQNYGCQFZJHGA-ZRBLBEILSA-N 0 0 509.902 4.317 50 5 KIBARN COc1ccc(C(=O)C2=C3C(O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@@H]3[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000018129651 553605710 /nfs/dbraw/zinc/60/57/10/553605710.db2.gz LSPPNXQHQXAJBH-CDCCBSOTSA-N 0 0 509.518 4.185 50 5 KIBARN COc1ccc(C(=O)C2=C3C(O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@H]3[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000018129652 553605683 /nfs/dbraw/zinc/60/56/83/553605683.db2.gz LSPPNXQHQXAJBH-MNPUUQGPSA-N 0 0 509.518 4.185 50 5 KIBARN CC(=O)c1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc([N+](=O)[O-])cc4)N4C=Cc5ccccc5[C@H]34)C2O)cc1 ZINC000018166959 553606783 /nfs/dbraw/zinc/60/67/83/553606783.db2.gz IUTWYLKQEPPCIC-QUMGSSFMSA-N 0 0 507.502 4.196 50 5 KIBARN COc1cc(-c2nc(NC(C)=O)c3c(=O)oc4ccccc4c3n2)ccc1OCC(=O)Nc1ccccc1 ZINC000018196593 553608648 /nfs/dbraw/zinc/60/86/48/553608648.db2.gz DSAPVNNUPAUKTN-UHFFFAOYSA-N 0 0 510.506 4.388 50 5 KIBARN O=C(C1=C2C(O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12)c1ccccc1 ZINC000018213563 553610751 /nfs/dbraw/zinc/61/07/51/553610751.db2.gz UHTBJYZILVMUJT-AFXVXQJMSA-N 0 0 500.898 4.010 50 5 KIBARN C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@@H]21 ZINC000018244946 553611051 /nfs/dbraw/zinc/61/10/51/553611051.db2.gz UVEZOLWJGBQGNB-XMLVGPMBSA-N 0 0 516.337 4.339 50 5 KIBARN O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000018244949 553611097 /nfs/dbraw/zinc/61/10/97/553611097.db2.gz BMQHKZUCCHNDOQ-IRXDYDNUSA-N 0 0 504.326 4.317 50 5 KIBARN CC1CCN(c2nc3ccccc3nc2SCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000019825358 553621051 /nfs/dbraw/zinc/62/10/51/553621051.db2.gz QNPUYMPRAZUCAF-UHFFFAOYSA-N 0 0 506.632 4.215 50 5 KIBARN O=C(c1cc2nc(-c3ccc([N+](=O)[O-])cc3)cc(C(F)(F)F)n2n1)N1CCN(Cc2ccccc2)CC1 ZINC000019848797 553623915 /nfs/dbraw/zinc/62/39/15/553623915.db2.gz XSCSGHHEBMMMPW-UHFFFAOYSA-N 0 0 510.476 4.281 50 5 KIBARN COc1cc(CC(=O)NCCc2cc(OC)c(OCc3ccccc3)c(OC)c2)c([N+](=O)[O-])cc1OC ZINC000019894050 553631816 /nfs/dbraw/zinc/63/18/16/553631816.db2.gz NAGWJABTQRVMCR-UHFFFAOYSA-N 0 0 510.543 4.110 50 5 KIBARN CCOC(=O)c1c2c(sc1NC(=O)c1cc([N+](=O)[O-])ccc1NCCCN1CCOCC1)CCCC2 ZINC000020057743 553671091 /nfs/dbraw/zinc/67/10/91/553671091.db2.gz TWNKFOVTXYCXAA-UHFFFAOYSA-N 0 0 516.620 4.098 50 5 KIBARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 ZINC000020076490 553676239 /nfs/dbraw/zinc/67/62/39/553676239.db2.gz OVNHXPSOJXCYJS-UHFFFAOYSA-N 0 0 511.966 4.011 50 5 KIBARN O=C(c1ccc2c(c1)nc(SCc1cccc([N+](=O)[O-])c1)n(Cc1ccccc1)c2=O)N1CCOCC1 ZINC000020102076 553687349 /nfs/dbraw/zinc/68/73/49/553687349.db2.gz LHIYKWUWFLDBMF-UHFFFAOYSA-N 0 0 516.579 4.118 50 5 KIBARN CCOc1cc2c(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cn(CC(C)C)c(=O)c2cc1OCC ZINC000020104723 553689127 /nfs/dbraw/zinc/68/91/27/553689127.db2.gz YIJSBZREHLTFSK-UHFFFAOYSA-N 0 0 522.602 4.326 50 5 KIBARN CC(C)c1ccc(NC(=O)[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000020108257 553691170 /nfs/dbraw/zinc/69/11/70/553691170.db2.gz IASGUELECQXYOH-VWLOTQADSA-N 0 0 520.542 4.178 50 5 KIBARN CC(C)c1ccc(NC(=O)[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000020108259 553691209 /nfs/dbraw/zinc/69/12/09/553691209.db2.gz IASGUELECQXYOH-RUZDIDTESA-N 0 0 520.542 4.178 50 5 KIBARN O=C(NC1(C(F)(F)F)Oc2ccccc2O1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000020111959 553694301 /nfs/dbraw/zinc/69/43/01/553694301.db2.gz VTGFEOYYMSQYIE-UHFFFAOYSA-N 0 0 506.359 4.133 50 5 KIBARN O=C(CCCCCn1c(=O)c2sccc2n(Cc2cccc([N+](=O)[O-])c2)c1=O)NCc1ccccc1 ZINC000020151577 553595822 /nfs/dbraw/zinc/59/58/22/553595822.db2.gz HKEVDHRLZZDDBB-UHFFFAOYSA-N 0 0 506.584 4.058 50 5 KIBARN O=C(CCCCCn1c(=O)c2sccc2n(Cc2cccc([N+](=O)[O-])c2)c1=O)NCc1ccc(F)cc1 ZINC000020151579 553595726 /nfs/dbraw/zinc/59/57/26/553595726.db2.gz XAXKIVRVDFSJAS-UHFFFAOYSA-N 0 0 524.574 4.197 50 5 KIBARN Cc1ccc(CNC(=O)CCCCCn2c(=O)c3sccc3n(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1 ZINC000020151581 553595706 /nfs/dbraw/zinc/59/57/06/553595706.db2.gz DZULMIILBUDAAB-UHFFFAOYSA-N 0 0 520.611 4.366 50 5 KIBARN O=C(Cc1ccc(-n2c(=O)c3sccc3n(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1)Nc1ccccc1 ZINC000020151607 553596053 /nfs/dbraw/zinc/59/60/53/553596053.db2.gz XPONOBSJPQZALX-UHFFFAOYSA-N 0 0 512.547 4.352 50 5 KIBARN O=C(Cc1ccc(-n2c(=O)c3sccc3n(Cc3ccc([N+](=O)[O-])cc3)c2=O)cc1)Nc1ccccc1 ZINC000020151609 553596026 /nfs/dbraw/zinc/59/60/26/553596026.db2.gz MTGQEYANLONOQG-UHFFFAOYSA-N 0 0 512.547 4.352 50 5 KIBARN O=C(CCCCn1c(=O)c2ccccc2n(Cc2cccc([N+](=O)[O-])c2)c1=O)NCc1ccccc1Cl ZINC000020153019 553597253 /nfs/dbraw/zinc/59/72/53/553597253.db2.gz ZHAFALOTSMLCFE-UHFFFAOYSA-N 0 0 520.973 4.260 50 5 KIBARN O=C(CCCCn1c(=O)c2ccccc2n(Cc2ccc([N+](=O)[O-])cc2)c1=O)NCc1ccccc1Cl ZINC000020153046 553597160 /nfs/dbraw/zinc/59/71/60/553597160.db2.gz VQUIWIFWGCLUDT-UHFFFAOYSA-N 0 0 520.973 4.260 50 5 KIBARN Cc1nn(-c2ccccc2)c(OC(=O)c2ccccc2[N+](=O)[O-])c1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000020153362 553597956 /nfs/dbraw/zinc/59/79/56/553597956.db2.gz HOUPESJKALTNTG-UHFFFAOYSA-N 0 0 508.468 4.049 50 5 KIBARN C[C@@]12C[C@@H](NC(=O)N1c1cccc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c1)c1ccccc1O2 ZINC000020182096 553604533 /nfs/dbraw/zinc/60/45/33/553604533.db2.gz HQAHLMRYABAGTP-UFHPHHKVSA-N 0 0 513.554 4.327 50 5 KIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000020208872 553609900 /nfs/dbraw/zinc/60/99/00/553609900.db2.gz XRKMXOLPCYFBDE-LOSJGSFVSA-N 0 0 503.511 4.096 50 5 KIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000020208876 553609897 /nfs/dbraw/zinc/60/98/97/553609897.db2.gz XRKMXOLPCYFBDE-JWQCQUIFSA-N 0 0 503.511 4.096 50 5 KIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000020208880 553609815 /nfs/dbraw/zinc/60/98/15/553609815.db2.gz XRKMXOLPCYFBDE-DQEYMECFSA-N 0 0 503.511 4.096 50 5 KIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000020208884 553609908 /nfs/dbraw/zinc/60/99/08/553609908.db2.gz XRKMXOLPCYFBDE-RPBOFIJWSA-N 0 0 503.511 4.096 50 5 KIBARN CCn1c(CCn2cc([N+](=O)[O-])cn2)nnc1SCC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000020214331 553612661 /nfs/dbraw/zinc/61/26/61/553612661.db2.gz PJHKLQCMFMGEHF-UHFFFAOYSA-N 0 0 504.787 4.336 50 5 KIBARN C[C@@]12C[C@@H](NC(=O)N1c1ccc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc1)c1ccccc1O2 ZINC000020214822 553613545 /nfs/dbraw/zinc/61/35/45/553613545.db2.gz FQXLNNUUKYRTLC-UFHPHHKVSA-N 0 0 513.554 4.327 50 5 KIBARN COc1cc2nc(SCC(=O)NC3CCCCC3)n3nc(-c4ccc([N+](=O)[O-])cc4)nc3c2cc1OC ZINC000020216193 553614043 /nfs/dbraw/zinc/61/40/43/553614043.db2.gz LBMJGNQALPDIBE-UHFFFAOYSA-N 0 0 522.587 4.411 50 5 KIBARN Cc1ccc(-n2nc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000020216375 553614471 /nfs/dbraw/zinc/61/44/71/553614471.db2.gz BRRHLTWPFFQWHL-UHFFFAOYSA-N 0 0 522.565 4.056 50 5 KIBARN CSc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCCc4ccccc4)c3)CC2)cc1 ZINC000020275293 553630948 /nfs/dbraw/zinc/63/09/48/553630948.db2.gz OPGPZQCXILLZCF-UHFFFAOYSA-N 0 0 512.657 4.482 50 5 KIBARN Cc1c(C2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c2ccccc2n1CC(=O)N1CCCC1 ZINC000020320769 553637545 /nfs/dbraw/zinc/63/75/45/553637545.db2.gz IQZRWLPEIQMASM-UHFFFAOYSA-N 0 0 510.616 4.049 50 5 KIBARN Cc1c(C2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc2n1CC(=O)N1CCCC1 ZINC000020320774 553637600 /nfs/dbraw/zinc/63/76/00/553637600.db2.gz BZRYGCPZYHKNSZ-UHFFFAOYSA-N 0 0 510.616 4.049 50 5 KIBARN CN1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(SCc4ccc([N+](=O)[O-])cc4)n32)C1 ZINC000020357907 553642590 /nfs/dbraw/zinc/64/25/90/553642590.db2.gz HRRWJBNPNWEUFG-UHFFFAOYSA-N 0 0 504.597 4.283 50 5 KIBARN O=C(c1sc2cc(Cl)ccc2c1Cl)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000020478812 553657431 /nfs/dbraw/zinc/65/74/31/553657431.db2.gz XSDBFWNDAIBRGF-UHFFFAOYSA-N 0 0 500.385 4.263 50 5 KIBARN O=C(c1sc2cc([N+](=O)[O-])ccc2c1Cl)N1CCN(C(=S)Nc2ccc3c(c2)OCCO3)CC1 ZINC000020494146 553666626 /nfs/dbraw/zinc/66/66/26/553666626.db2.gz MICFJSFFXXVIJP-UHFFFAOYSA-N 0 0 519.004 4.389 50 5 KIBARN COc1ccc(S(=O)(=O)N2C[C@H]3c4ccccc4CCN3[C@@H]2c2cccc([N+](=O)[O-])c2)c2cccnc12 ZINC000020494881 553667261 /nfs/dbraw/zinc/66/72/61/553667261.db2.gz IDGBAVGWJSRDPC-HOFKKMOUSA-N 0 0 516.579 4.454 50 5 KIBARN COc1ccc(S(=O)(=O)N2C[C@@H]3c4ccccc4CCN3[C@@H]2c2cccc([N+](=O)[O-])c2)c2cccnc12 ZINC000020494883 553667291 /nfs/dbraw/zinc/66/72/91/553667291.db2.gz IDGBAVGWJSRDPC-KCWPFWIISA-N 0 0 516.579 4.454 50 5 KIBARN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCc3ccccn3)cnn2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000020576011 553675799 /nfs/dbraw/zinc/67/57/99/553675799.db2.gz BZDMVZIHEOYGOI-UHFFFAOYSA-N 0 0 506.563 4.220 50 5 KIBARN CCOCCCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000020576029 553675766 /nfs/dbraw/zinc/67/57/66/553675766.db2.gz PBVFXBCWANTEAF-UHFFFAOYSA-N 0 0 501.584 4.051 50 5 KIBARN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCc3cccnc3)cnn2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000020576041 553675729 /nfs/dbraw/zinc/67/57/29/553675729.db2.gz QFMVHAXRNZQSEK-UHFFFAOYSA-N 0 0 506.563 4.220 50 5 KIBARN CCNS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000020615777 553680108 /nfs/dbraw/zinc/68/01/08/553680108.db2.gz YTHKDDNOUXGANT-UHFFFAOYSA-N 0 0 517.947 4.038 50 5 KIBARN O=C(NCCN1CCN(c2ccccc2F)CC1)c1ccc2c3nc4ccccc4n3c(=S)[nH]c2c1 ZINC000020618205 553681127 /nfs/dbraw/zinc/68/11/27/553681127.db2.gz HDUJIJXAZGKOIY-UHFFFAOYSA-N 0 0 500.603 4.016 50 5 KIBARN O=C(NCc1ccco1)c1ccc2c(c1)nc(SCc1cccc([N+](=O)[O-])c1)n(C[C@@H]1CCCO1)c2=O ZINC000020643513 553683536 /nfs/dbraw/zinc/68/35/36/553683536.db2.gz CWEBSQQYUJBQRU-NRFANRHFSA-N 0 0 520.567 4.299 50 5 KIBARN O=C(NCc1ccco1)c1ccc2c(c1)nc(SCc1cccc([N+](=O)[O-])c1)n(C[C@H]1CCCO1)c2=O ZINC000020643515 553683470 /nfs/dbraw/zinc/68/34/70/553683470.db2.gz CWEBSQQYUJBQRU-OAQYLSRUSA-N 0 0 520.567 4.299 50 5 KIBARN O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)nc(SCc1ccc([N+](=O)[O-])cc1)n(Cc1ccco1)c2=O ZINC000020644296 553684353 /nfs/dbraw/zinc/68/43/53/553684353.db2.gz XMVIYYNAQZHPMU-FQEVSTJZSA-N 0 0 520.567 4.147 50 5 KIBARN O=C(NC[C@H]1CCCO1)c1ccc2c(c1)nc(SCc1ccc([N+](=O)[O-])cc1)n(Cc1ccco1)c2=O ZINC000020644298 553684351 /nfs/dbraw/zinc/68/43/51/553684351.db2.gz XMVIYYNAQZHPMU-HXUWFJFHSA-N 0 0 520.567 4.147 50 5 KIBARN O=C(Cc1csc(Nc2[nH]c(=S)nc3ccccc32)n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000020646175 553685246 /nfs/dbraw/zinc/68/52/46/553685246.db2.gz IBCOWQCOZRUDAI-UHFFFAOYSA-N 0 0 507.601 4.292 50 5 KIBARN COc1ccc(NC(=O)c2sc3nc4n(c(=O)c3c2C)N=C(c2ccc([N+](=O)[O-])cc2)CS4)cc1 ZINC000020646382 553685362 /nfs/dbraw/zinc/68/53/62/553685362.db2.gz XTHNJSNWFZBUOU-UHFFFAOYSA-N 0 0 507.553 4.294 50 5 KIBARN COc1ccc(NC(=O)c2sc3nc4n(c(=O)c3c2C)N=C(c2cccc([N+](=O)[O-])c2)CS4)cc1 ZINC000020646386 553685345 /nfs/dbraw/zinc/68/53/45/553685345.db2.gz UAMAHJROBNEKEF-UHFFFAOYSA-N 0 0 507.553 4.294 50 5 KIBARN CCOc1ccc(N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)S(=O)(=O)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000020662687 553685490 /nfs/dbraw/zinc/68/54/90/553685490.db2.gz UYBLNPLLUIKZJG-MGSPXPDISA-N 0 0 509.496 4.403 50 5 KIBARN CCOc1ccc(N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)S(=O)(=O)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000020662689 553685612 /nfs/dbraw/zinc/68/56/12/553685612.db2.gz UYBLNPLLUIKZJG-XPCGLTFESA-N 0 0 509.496 4.403 50 5 KIBARN CCOc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)S(=O)(=O)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000020662695 553685610 /nfs/dbraw/zinc/68/56/10/553685610.db2.gz GMAJXSZHWHSHDQ-YXDQGSNCSA-N 0 0 508.508 4.224 50 5 KIBARN CCOc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)S(=O)(=O)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000020662697 553685625 /nfs/dbraw/zinc/68/56/25/553685625.db2.gz GMAJXSZHWHSHDQ-ITIZVALFSA-N 0 0 508.508 4.224 50 5 KIBARN O=C(NCCSCc1ccccc1)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N+](=O)[O-])c1 ZINC000020663205 553685908 /nfs/dbraw/zinc/68/59/08/553685908.db2.gz OXMWHQRTOVQLOX-IRLDBZIGSA-N 0 0 504.612 4.043 50 5 KIBARN COc1cc(OC)c(NC(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c([N+](=O)[O-])c2)cc1Cl ZINC000020663212 553685888 /nfs/dbraw/zinc/68/58/88/553685888.db2.gz MKBWPRQIHODWEM-WBVHZDCISA-N 0 0 524.961 4.303 50 5 KIBARN O=C(c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N+](=O)[O-])c1)N1CCC(Cc2ccccc2)CC1 ZINC000020663233 553685955 /nfs/dbraw/zinc/68/59/55/553685955.db2.gz ZVMSGINRHFNNAT-NOZRDPDXSA-N 0 0 512.610 4.475 50 5 KIBARN Cc1cccc(N2CCN(C(=O)c3ccc(S(=O)(=O)Cc4ccccc4F)c([N+](=O)[O-])c3)CC2)c1C ZINC000020663998 553686095 /nfs/dbraw/zinc/68/60/95/553686095.db2.gz CBULJTOTWSCJNW-UHFFFAOYSA-N 0 0 511.575 4.287 50 5 KIBARN Cc1ccc(C)c(N2CCN(C(=O)c3ccc(S(=O)(=O)Cc4ccccc4F)c([N+](=O)[O-])c3)CC2)c1 ZINC000020664001 553686088 /nfs/dbraw/zinc/68/60/88/553686088.db2.gz FPPKOIKADQRXTO-UHFFFAOYSA-N 0 0 511.575 4.287 50 5 KIBARN Cc1cccc(N2CCN(C(=O)c3ccc(S(=O)(=O)Cc4ccccc4F)c([N+](=O)[O-])c3)C[C@H]2C)c1 ZINC000020664003 553686153 /nfs/dbraw/zinc/68/61/53/553686153.db2.gz KIZJCZWKPVKNQF-LJQANCHMSA-N 0 0 511.575 4.367 50 5 KIBARN Cc1cccc(N2CCN(C(=O)c3ccc(S(=O)(=O)Cc4ccccc4F)c([N+](=O)[O-])c3)C[C@@H]2C)c1 ZINC000020664005 553686138 /nfs/dbraw/zinc/68/61/38/553686138.db2.gz KIZJCZWKPVKNQF-IBGZPJMESA-N 0 0 511.575 4.367 50 5 KIBARN Cc1cccc(N2CCN(C(=O)c3ccc(S(=O)(=O)Cc4cccc(F)c4)c([N+](=O)[O-])c3)CC2)c1C ZINC000020664007 553686154 /nfs/dbraw/zinc/68/61/54/553686154.db2.gz JRENXMYWEXQNCS-UHFFFAOYSA-N 0 0 511.575 4.287 50 5 KIBARN Cc1ccc(C)c(N2CCN(C(=O)c3ccc(S(=O)(=O)Cc4cccc(F)c4)c([N+](=O)[O-])c3)CC2)c1 ZINC000020664009 553686098 /nfs/dbraw/zinc/68/60/98/553686098.db2.gz OZZBKURXMCPNNA-UHFFFAOYSA-N 0 0 511.575 4.287 50 5 KIBARN Cc1cccc(N2CCN(C(=O)c3ccc(S(=O)(=O)Cc4cccc(F)c4)c([N+](=O)[O-])c3)C[C@H]2C)c1 ZINC000020664011 553686141 /nfs/dbraw/zinc/68/61/41/553686141.db2.gz XIZOCWKVWCONOL-LJQANCHMSA-N 0 0 511.575 4.367 50 5 KIBARN Cc1cccc(N2CCN(C(=O)c3ccc(S(=O)(=O)Cc4cccc(F)c4)c([N+](=O)[O-])c3)C[C@@H]2C)c1 ZINC000020664013 553686126 /nfs/dbraw/zinc/68/61/26/553686126.db2.gz XIZOCWKVWCONOL-IBGZPJMESA-N 0 0 511.575 4.367 50 5 KIBARN COc1ccccc1N1CCN(C(=O)c2ccc(S(=O)(=O)c3cccc(Cl)c3)c([N+](=O)[O-])c2)CC1 ZINC000020664200 553686144 /nfs/dbraw/zinc/68/61/44/553686144.db2.gz NSAMHRZVEWIYET-UHFFFAOYSA-N 0 0 515.975 4.052 50 5 KIBARN COc1ccccc1NC(=O)c1ccc(SCC(=O)N2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000020664263 553686132 /nfs/dbraw/zinc/68/61/32/553686132.db2.gz FTDPNUWLTLTGOF-UHFFFAOYSA-N 0 0 506.584 4.297 50 5 KIBARN O=C(CN1C(=O)/C(=C/c2ccccc2)Sc2ccccc21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000020726574 553690290 /nfs/dbraw/zinc/69/02/90/553690290.db2.gz SBGCDOKKXJDQIB-BWAHOGKJSA-N 0 0 500.580 4.423 50 5 KIBARN COc1ccccc1N1CCN(C(=O)c2oc3ccccc3c2NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000020900514 553701295 /nfs/dbraw/zinc/70/12/95/553701295.db2.gz LZFCMJCPGWXECR-UHFFFAOYSA-N 0 0 514.538 4.493 50 5 KIBARN COc1ccccc1N1CCN(C(=O)c2oc3ccccc3c2NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000020900518 553701380 /nfs/dbraw/zinc/70/13/80/553701380.db2.gz NDEKMLOEUOVEBQ-UHFFFAOYSA-N 0 0 514.538 4.493 50 5 KIBARN COc1cccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000020900520 553701306 /nfs/dbraw/zinc/70/13/06/553701306.db2.gz VEXGURBOVKWCEJ-UHFFFAOYSA-N 0 0 514.538 4.493 50 5 KIBARN COc1cccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000020900522 553701351 /nfs/dbraw/zinc/70/13/51/553701351.db2.gz OXUUYBWJDUOLNK-UHFFFAOYSA-N 0 0 514.538 4.493 50 5 KIBARN CC(=O)N1N=C(c2cncc(Br)c2)O[C@@H]1c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000021090817 553706298 /nfs/dbraw/zinc/70/62/98/553706298.db2.gz JAPMAXNHIDVBMQ-OAQYLSRUSA-N 0 0 511.288 4.211 50 5 KIBARN CC(=O)N1N=C(c2cncc(Br)c2)O[C@H]1c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000021090821 553706311 /nfs/dbraw/zinc/70/63/11/553706311.db2.gz JAPMAXNHIDVBMQ-NRFANRHFSA-N 0 0 511.288 4.211 50 5 KIBARN COc1cc([C@@H]2OC(c3ccccc3NC(=O)c3ccc([N+](=O)[O-])cc3)=NN2C(C)=O)ccc1OC(C)=O ZINC000021091480 553706486 /nfs/dbraw/zinc/70/64/86/553706486.db2.gz GURSDPPIYGXFNX-SANMLTNESA-N 0 0 518.482 4.020 50 5 KIBARN COc1cc([C@H]2OC(c3ccccc3NC(=O)c3ccc([N+](=O)[O-])cc3)=NN2C(C)=O)ccc1OC(C)=O ZINC000021091486 553706452 /nfs/dbraw/zinc/70/64/52/553706452.db2.gz GURSDPPIYGXFNX-AREMUKBSSA-N 0 0 518.482 4.020 50 5 KIBARN COc1cccc([C@@H]2OC(c3ccccc3NC(=O)c3ccc([N+](=O)[O-])cc3)=NN2C(C)=O)c1OC(C)=O ZINC000021091490 553706439 /nfs/dbraw/zinc/70/64/39/553706439.db2.gz ISPFETLQWBPNSN-SANMLTNESA-N 0 0 518.482 4.020 50 5 KIBARN COc1cccc([C@H]2OC(c3ccccc3NC(=O)c3ccc([N+](=O)[O-])cc3)=NN2C(C)=O)c1OC(C)=O ZINC000021091495 553706432 /nfs/dbraw/zinc/70/64/32/553706432.db2.gz ISPFETLQWBPNSN-AREMUKBSSA-N 0 0 518.482 4.020 50 5 KIBARN CC(=O)N1N=C(c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)O[C@@H]1COc1ccc(Br)cc1 ZINC000021092418 553706408 /nfs/dbraw/zinc/70/64/08/553706408.db2.gz XWHAVJPUHVKVPH-OAQYLSRUSA-N 0 0 513.304 4.490 50 5 KIBARN CC(=O)N1N=C(c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)O[C@H]1COc1ccc(Br)cc1 ZINC000021092422 553706465 /nfs/dbraw/zinc/70/64/65/553706465.db2.gz XWHAVJPUHVKVPH-NRFANRHFSA-N 0 0 513.304 4.490 50 5 KIBARN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000023181998 553771384 /nfs/dbraw/zinc/77/13/84/553771384.db2.gz NUCQDKDVZIWTNN-UZUQRXQVSA-N 0 0 504.609 4.026 50 5 KIBARN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000023182002 553771329 /nfs/dbraw/zinc/77/13/29/553771329.db2.gz NUCQDKDVZIWTNN-GAJHUEQPSA-N 0 0 504.609 4.026 50 5 KIBARN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000023182005 553771380 /nfs/dbraw/zinc/77/13/80/553771380.db2.gz NUCQDKDVZIWTNN-HXOBKFHXSA-N 0 0 504.609 4.026 50 5 KIBARN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000023182010 553771372 /nfs/dbraw/zinc/77/13/72/553771372.db2.gz NUCQDKDVZIWTNN-SBUREZEXSA-N 0 0 504.609 4.026 50 5 KIBARN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000023182076 553771319 /nfs/dbraw/zinc/77/13/19/553771319.db2.gz ZDHXSNGJHGAXFO-UZUQRXQVSA-N 0 0 504.609 4.026 50 5 KIBARN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000023182080 553771314 /nfs/dbraw/zinc/77/13/14/553771314.db2.gz ZDHXSNGJHGAXFO-GAJHUEQPSA-N 0 0 504.609 4.026 50 5 KIBARN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000023182084 553771300 /nfs/dbraw/zinc/77/13/00/553771300.db2.gz ZDHXSNGJHGAXFO-HXOBKFHXSA-N 0 0 504.609 4.026 50 5 KIBARN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000023182088 553771362 /nfs/dbraw/zinc/77/13/62/553771362.db2.gz ZDHXSNGJHGAXFO-SBUREZEXSA-N 0 0 504.609 4.026 50 5 KIBARN CCOC(=O)c1c(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)sc2c1CCN(Cc1ccccc1)C2 ZINC000025196771 553806069 /nfs/dbraw/zinc/80/60/69/553806069.db2.gz KYCFBUOZEWWQFN-UHFFFAOYSA-N 0 0 523.567 4.430 50 5 KIBARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)OCc3cc(=O)oc4ccc5ccccc5c34)c2)C[C@@H](C)O1 ZINC000025395981 553808135 /nfs/dbraw/zinc/80/81/35/553808135.db2.gz MTMWOMIYBULWGP-QZTJIDSGSA-N 0 0 507.564 4.101 50 5 KIBARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)OCc3cc(=O)oc4ccc5ccccc5c34)c2)C[C@H](C)O1 ZINC000025395987 553808088 /nfs/dbraw/zinc/80/80/88/553808088.db2.gz MTMWOMIYBULWGP-HDICACEKSA-N 0 0 507.564 4.101 50 5 KIBARN C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)OCc3cc(=O)oc4ccc5ccccc5c34)c2)C[C@H](C)O1 ZINC000025395997 553808139 /nfs/dbraw/zinc/80/81/39/553808139.db2.gz MTMWOMIYBULWGP-ROUUACIJSA-N 0 0 507.564 4.101 50 5 KIBARN COc1cc(C(=O)OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)c([N+](=O)[O-])cc1OC ZINC000025423470 553808932 /nfs/dbraw/zinc/80/89/32/553808932.db2.gz RZRBPRWFSHEIKB-LJQANCHMSA-N 0 0 513.890 4.393 50 5 KIBARN COc1cc(C(=O)OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)c([N+](=O)[O-])cc1OC ZINC000025423475 553808934 /nfs/dbraw/zinc/80/89/34/553808934.db2.gz RZRBPRWFSHEIKB-IBGZPJMESA-N 0 0 513.890 4.393 50 5 KIBARN COc1cccc(C(=O)N[C@@H](NC(=S)Nc2ccc(OC)cc2[N+](=O)[O-])C(Cl)(Cl)Cl)c1 ZINC000025540600 553809839 /nfs/dbraw/zinc/80/98/39/553809839.db2.gz VUPWXEULNIXTOB-INIZCTEOSA-N 0 0 507.783 4.025 50 5 KIBARN COc1cccc(C(=O)N[C@H](NC(=S)Nc2ccc(OC)cc2[N+](=O)[O-])C(Cl)(Cl)Cl)c1 ZINC000025540604 553809855 /nfs/dbraw/zinc/80/98/55/553809855.db2.gz VUPWXEULNIXTOB-MRXNPFEDSA-N 0 0 507.783 4.025 50 5 KIBARN COc1ccccc1NC(=O)c1nc2ccc([N+](=O)[O-])cc2nc1CC(=O)C(=O)Nc1c(C)cccc1C ZINC000025574364 553810434 /nfs/dbraw/zinc/81/04/34/553810434.db2.gz CLKGBFCZWZTXKV-UHFFFAOYSA-N 0 0 513.510 4.166 50 5 KIBARN CCc1ccc(OCC(=O)N[C@@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)cc1 ZINC000025762683 571360699 /nfs/dbraw/zinc/36/06/99/571360699.db2.gz DXJWENLEJXTEDF-KRWDZBQOSA-N 0 0 505.811 4.335 50 5 KIBARN CCc1ccc(OCC(=O)N[C@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)cc1 ZINC000025762687 571360696 /nfs/dbraw/zinc/36/06/96/571360696.db2.gz DXJWENLEJXTEDF-QGZVFWFLSA-N 0 0 505.811 4.335 50 5 KIBARN CCc1ccc(OCC(=O)N[C@@H](NC(=S)Nc2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)cc1 ZINC000025762808 571360694 /nfs/dbraw/zinc/36/06/94/571360694.db2.gz YZHNHCVQPMXQNE-KRWDZBQOSA-N 0 0 505.811 4.335 50 5 KIBARN CCc1ccc(OCC(=O)N[C@H](NC(=S)Nc2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)cc1 ZINC000025762812 571360708 /nfs/dbraw/zinc/36/07/08/571360708.db2.gz YZHNHCVQPMXQNE-QGZVFWFLSA-N 0 0 505.811 4.335 50 5 KIBARN CCc1ccc(OCC(=O)N[C@@H](NC(=S)Nc2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)cc1 ZINC000025762981 553813364 /nfs/dbraw/zinc/81/33/64/553813364.db2.gz CGGKPIQOVLHVIZ-KRWDZBQOSA-N 0 0 505.811 4.335 50 5 KIBARN CCc1ccc(OCC(=O)N[C@H](NC(=S)Nc2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)cc1 ZINC000025762985 553813299 /nfs/dbraw/zinc/81/32/99/553813299.db2.gz CGGKPIQOVLHVIZ-QGZVFWFLSA-N 0 0 505.811 4.335 50 5 KIBARN COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000026964412 553822278 /nfs/dbraw/zinc/82/22/78/553822278.db2.gz ZRVRGPWDGRCVTK-HSZRJFAPSA-N 0 0 503.540 4.271 50 5 KIBARN COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000026964423 553822337 /nfs/dbraw/zinc/82/23/37/553822337.db2.gz ZRVRGPWDGRCVTK-QHCPKHFHSA-N 0 0 503.540 4.271 50 5 KIBARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000026964873 553822657 /nfs/dbraw/zinc/82/26/57/553822657.db2.gz IQDRVQZURSEFLS-UHFFFAOYSA-N 0 0 524.526 4.184 50 5 KIBARN COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000026965052 553822561 /nfs/dbraw/zinc/82/25/61/553822561.db2.gz ZGRQDHWUVGZDSY-HSZRJFAPSA-N 0 0 503.540 4.271 50 5 KIBARN COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000026965059 553822611 /nfs/dbraw/zinc/82/26/11/553822611.db2.gz ZGRQDHWUVGZDSY-QHCPKHFHSA-N 0 0 503.540 4.271 50 5 KIBARN O=C(C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1 ZINC000027016435 553823104 /nfs/dbraw/zinc/82/31/04/553823104.db2.gz GRAQXJNFMHGUBU-FQEVSTJZSA-N 0 0 509.316 4.354 50 5 KIBARN O=C(C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1 ZINC000027016439 553823130 /nfs/dbraw/zinc/82/31/30/553823130.db2.gz GRAQXJNFMHGUBU-HXUWFJFHSA-N 0 0 509.316 4.354 50 5 KIBARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cn(-c2ccccc2)nc1-c1ccc(OC)c([N+](=O)[O-])c1 ZINC000027023773 553824342 /nfs/dbraw/zinc/82/43/42/553824342.db2.gz UZRUNZVXIYWTMZ-UHFFFAOYSA-N 0 0 518.526 4.037 50 5 KIBARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000027024246 553824593 /nfs/dbraw/zinc/82/45/93/553824593.db2.gz NADKUXOLLSYMJL-UHFFFAOYSA-N 0 0 524.526 4.184 50 5 KIBARN COc1ccc(NC(=S)N[C@@H](NC(=O)c2ccccc2OC)C(Cl)(Cl)Cl)c([N+](=O)[O-])c1 ZINC000027469110 553825854 /nfs/dbraw/zinc/82/58/54/553825854.db2.gz XGYBVJCITQZDHA-MRXNPFEDSA-N 0 0 507.783 4.025 50 5 KIBARN COc1ccc(NC(=S)N[C@H](NC(=O)c2ccccc2OC)C(Cl)(Cl)Cl)c([N+](=O)[O-])c1 ZINC000027469117 553825959 /nfs/dbraw/zinc/82/59/59/553825959.db2.gz XGYBVJCITQZDHA-INIZCTEOSA-N 0 0 507.783 4.025 50 5 KIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(I)ccc1I ZINC000027519610 553826687 /nfs/dbraw/zinc/82/66/87/553826687.db2.gz ATGPGQGGMLPCSJ-UHFFFAOYSA-N 0 0 508.053 4.365 50 5 KIBARN O=C(Nc1cccc([N+](=O)[O-])c1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1Br ZINC000027521347 553827380 /nfs/dbraw/zinc/82/73/80/553827380.db2.gz JNFQBVIIBPUAPD-GRSHGNNSSA-N 0 0 510.300 4.496 50 5 KIBARN COC(=O)c1ccc(NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(=O)c2ccc(OC)cc2Cl)cc1 ZINC000027521495 553827642 /nfs/dbraw/zinc/82/76/42/553827642.db2.gz GEZXAHCINBNYIY-LPYMAVHISA-N 0 0 509.902 4.453 50 5 KIBARN COC(=O)c1ccc(NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccc(OC)cc2Cl)cc1 ZINC000027521594 553827669 /nfs/dbraw/zinc/82/76/69/553827669.db2.gz OQBYCDKYGQAKJE-LPYMAVHISA-N 0 0 509.902 4.453 50 5 KIBARN COC(=O)c1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)c2cc(Cl)ccc2OC)cc1 ZINC000027522129 553828383 /nfs/dbraw/zinc/82/83/83/553828383.db2.gz DXNIIZKSCZAIGD-BKUYFWCQSA-N 0 0 509.902 4.453 50 5 KIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)/C(=C/c1cc(OC)c(OC)c(OC)c1)NC(=O)c1ccccc1 ZINC000027522212 553828749 /nfs/dbraw/zinc/82/87/49/553828749.db2.gz YVNKOTRQCGKQTA-NDENLUEZSA-N 0 0 507.499 4.039 50 5 KIBARN CCOc1ccc([C@@H]2[C@@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(OCC)cc2)cc1 ZINC000027522973 553829602 /nfs/dbraw/zinc/82/96/02/553829602.db2.gz LYNWZYXUXLOJLS-DNQXCXABSA-N 0 0 501.495 4.145 50 5 KIBARN CCOc1ccc([C@H]2[C@@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(OCC)cc2)cc1 ZINC000027522975 553829700 /nfs/dbraw/zinc/82/97/00/553829700.db2.gz LYNWZYXUXLOJLS-BJKOFHAPSA-N 0 0 501.495 4.145 50 5 KIBARN CCOc1ccc([C@@H]2[C@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(OCC)cc2)cc1 ZINC000027522976 553829737 /nfs/dbraw/zinc/82/97/37/553829737.db2.gz LYNWZYXUXLOJLS-RPWUZVMVSA-N 0 0 501.495 4.145 50 5 KIBARN CCOc1ccc([C@H]2[C@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(OCC)cc2)cc1 ZINC000027522978 553829674 /nfs/dbraw/zinc/82/96/74/553829674.db2.gz LYNWZYXUXLOJLS-ZEQRLZLVSA-N 0 0 501.495 4.145 50 5 KIBARN Cc1c(Cl)cccc1N1C(=O)[C@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H]1c1ccc2c(c1)OCO2 ZINC000027527344 553829882 /nfs/dbraw/zinc/82/98/82/553829882.db2.gz QTZBMRFBFXQMJK-FCHUYYIVSA-N 0 0 505.870 4.038 50 5 KIBARN Cc1c(Cl)cccc1N1C(=O)[C@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@H]1c1ccc2c(c1)OCO2 ZINC000027527345 553829898 /nfs/dbraw/zinc/82/98/98/553829898.db2.gz QTZBMRFBFXQMJK-FGZHOGPDSA-N 0 0 505.870 4.038 50 5 KIBARN Cc1c(Cl)cccc1N1C(=O)[C@@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H]1c1ccc2c(c1)OCO2 ZINC000027527346 553829904 /nfs/dbraw/zinc/82/99/04/553829904.db2.gz QTZBMRFBFXQMJK-VXKWHMMOSA-N 0 0 505.870 4.038 50 5 KIBARN Cc1c(Cl)cccc1N1C(=O)[C@@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@H]1c1ccc2c(c1)OCO2 ZINC000027527347 553829937 /nfs/dbraw/zinc/82/99/37/553829937.db2.gz QTZBMRFBFXQMJK-YADHBBJMSA-N 0 0 505.870 4.038 50 5 KIBARN Cc1ccc(N2C(=O)[C@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@@H]2c2ccc3c(c2)OCO3)cc1Cl ZINC000027527348 553830411 /nfs/dbraw/zinc/83/04/11/553830411.db2.gz HQQMKSIQOXHICK-FCHUYYIVSA-N 0 0 505.870 4.038 50 5 KIBARN Cc1ccc(N2C(=O)[C@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@H]2c2ccc3c(c2)OCO3)cc1Cl ZINC000027527349 553830401 /nfs/dbraw/zinc/83/04/01/553830401.db2.gz HQQMKSIQOXHICK-FGZHOGPDSA-N 0 0 505.870 4.038 50 5 KIBARN Cc1ccc(N2C(=O)[C@@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@@H]2c2ccc3c(c2)OCO3)cc1Cl ZINC000027527350 553830334 /nfs/dbraw/zinc/83/03/34/553830334.db2.gz HQQMKSIQOXHICK-VXKWHMMOSA-N 0 0 505.870 4.038 50 5 KIBARN Cc1ccc(N2C(=O)[C@@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@H]2c2ccc3c(c2)OCO3)cc1Cl ZINC000027527351 553830314 /nfs/dbraw/zinc/83/03/14/553830314.db2.gz HQQMKSIQOXHICK-YADHBBJMSA-N 0 0 505.870 4.038 50 5 KIBARN Cc1cc(Cl)ccc1N1C(=O)[C@H](N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@@H]1c1ccc2c(c1)OCO2 ZINC000027527355 553830392 /nfs/dbraw/zinc/83/03/92/553830392.db2.gz OVDHBDVMMLAHKE-FCHUYYIVSA-N 0 0 505.870 4.038 50 5 KIBARN Cc1cc(Cl)ccc1N1C(=O)[C@H](N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@H]1c1ccc2c(c1)OCO2 ZINC000027527356 553830383 /nfs/dbraw/zinc/83/03/83/553830383.db2.gz OVDHBDVMMLAHKE-FGZHOGPDSA-N 0 0 505.870 4.038 50 5 KIBARN Cc1cc(Cl)ccc1N1C(=O)[C@@H](N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@@H]1c1ccc2c(c1)OCO2 ZINC000027527357 553830297 /nfs/dbraw/zinc/83/02/97/553830297.db2.gz OVDHBDVMMLAHKE-VXKWHMMOSA-N 0 0 505.870 4.038 50 5 KIBARN Cc1cc(Cl)ccc1N1C(=O)[C@@H](N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@H]1c1ccc2c(c1)OCO2 ZINC000027527358 553830417 /nfs/dbraw/zinc/83/04/17/553830417.db2.gz OVDHBDVMMLAHKE-YADHBBJMSA-N 0 0 505.870 4.038 50 5 KIBARN Cc1ccc(N2C(=O)[C@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@@H]2c2ccc3c(c2)OCO3)cc1Cl ZINC000027527359 553830372 /nfs/dbraw/zinc/83/03/72/553830372.db2.gz UIRYOUZDTRGZHC-FCHUYYIVSA-N 0 0 505.870 4.038 50 5 KIBARN Cc1ccc(N2C(=O)[C@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@H]2c2ccc3c(c2)OCO3)cc1Cl ZINC000027527360 553830345 /nfs/dbraw/zinc/83/03/45/553830345.db2.gz UIRYOUZDTRGZHC-FGZHOGPDSA-N 0 0 505.870 4.038 50 5 KIBARN Cc1ccc(N2C(=O)[C@@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@@H]2c2ccc3c(c2)OCO3)cc1Cl ZINC000027527361 553830276 /nfs/dbraw/zinc/83/02/76/553830276.db2.gz UIRYOUZDTRGZHC-VXKWHMMOSA-N 0 0 505.870 4.038 50 5 KIBARN Cc1ccc(N2C(=O)[C@@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@H]2c2ccc3c(c2)OCO3)cc1Cl ZINC000027527362 553830379 /nfs/dbraw/zinc/83/03/79/553830379.db2.gz UIRYOUZDTRGZHC-YADHBBJMSA-N 0 0 505.870 4.038 50 5 KIBARN Cc1cc(N2C(=O)[C@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@@H]2c2cccs2)ccc1Br ZINC000027527470 553830250 /nfs/dbraw/zinc/83/02/50/553830250.db2.gz GCWNBXCJMFEZMA-RBUKOAKNSA-N 0 0 512.341 4.480 50 5 KIBARN Cc1cc(N2C(=O)[C@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@H]2c2cccs2)ccc1Br ZINC000027527471 553830289 /nfs/dbraw/zinc/83/02/89/553830289.db2.gz GCWNBXCJMFEZMA-RTBURBONSA-N 0 0 512.341 4.480 50 5 KIBARN Cc1cc(N2C(=O)[C@@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@@H]2c2cccs2)ccc1Br ZINC000027527472 553830405 /nfs/dbraw/zinc/83/04/05/553830405.db2.gz GCWNBXCJMFEZMA-OALUTQOASA-N 0 0 512.341 4.480 50 5 KIBARN Cc1cc(N2C(=O)[C@@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@H]2c2cccs2)ccc1Br ZINC000027527473 553830305 /nfs/dbraw/zinc/83/03/05/553830305.db2.gz GCWNBXCJMFEZMA-MOPGFXCFSA-N 0 0 512.341 4.480 50 5 KIBARN COc1cc(-c2nc3ccccc3c(=O)n2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(OC)c1OC ZINC000027527537 553830421 /nfs/dbraw/zinc/83/04/21/553830421.db2.gz NFZKFZLEXBAKAF-UHFFFAOYSA-N 0 0 510.890 4.035 50 5 KIBARN COc1ccc(OC)c([C@@H]2[C@@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(Cl)cc2)c1 ZINC000027527637 553830559 /nfs/dbraw/zinc/83/05/59/553830559.db2.gz XXXPWVQNAAKKDM-FGZHOGPDSA-N 0 0 507.886 4.018 50 5 KIBARN COc1ccc(OC)c([C@H]2[C@@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(Cl)cc2)c1 ZINC000027527638 553830612 /nfs/dbraw/zinc/83/06/12/553830612.db2.gz XXXPWVQNAAKKDM-FCHUYYIVSA-N 0 0 507.886 4.018 50 5 KIBARN COc1ccc(OC)c([C@@H]2[C@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(Cl)cc2)c1 ZINC000027527639 553830533 /nfs/dbraw/zinc/83/05/33/553830533.db2.gz XXXPWVQNAAKKDM-YADHBBJMSA-N 0 0 507.886 4.018 50 5 KIBARN COc1ccc(OC)c([C@H]2[C@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(Cl)cc2)c1 ZINC000027527640 553830679 /nfs/dbraw/zinc/83/06/79/553830679.db2.gz XXXPWVQNAAKKDM-VXKWHMMOSA-N 0 0 507.886 4.018 50 5 KIBARN O=C1[C@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@H](c2cccc(Br)c2)N1c1ccccc1F ZINC000027527677 553830567 /nfs/dbraw/zinc/83/05/67/553830567.db2.gz UZSDRLWSUKLUTI-VQTJNVASSA-N 0 0 510.275 4.249 50 5 KIBARN O=C1[C@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H](c2cccc(Br)c2)N1c1ccccc1F ZINC000027527678 553830668 /nfs/dbraw/zinc/83/06/68/553830668.db2.gz UZSDRLWSUKLUTI-WOJBJXKFSA-N 0 0 510.275 4.249 50 5 KIBARN O=C1[C@@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@H](c2cccc(Br)c2)N1c1ccccc1F ZINC000027527679 553830722 /nfs/dbraw/zinc/83/07/22/553830722.db2.gz UZSDRLWSUKLUTI-PMACEKPBSA-N 0 0 510.275 4.249 50 5 KIBARN O=C1[C@@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H](c2cccc(Br)c2)N1c1ccccc1F ZINC000027527680 553830692 /nfs/dbraw/zinc/83/06/92/553830692.db2.gz UZSDRLWSUKLUTI-UXHICEINSA-N 0 0 510.275 4.249 50 5 KIBARN COC(=O)c1cccc(NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(=O)c2ccc(Br)o2)c1 ZINC000027528356 553831365 /nfs/dbraw/zinc/83/13/65/553831365.db2.gz BQCZEGUEHFIDFL-GZTJUZNOSA-N 0 0 514.288 4.147 50 5 KIBARN COc1ccc(N(CC(=O)Nc2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000027533714 553832273 /nfs/dbraw/zinc/83/22/73/553832273.db2.gz HAMRFBICNZQRLJ-UHFFFAOYSA-N 0 0 519.963 4.408 50 5 KIBARN CC(C)[C@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000029747363 553847003 /nfs/dbraw/zinc/84/70/03/553847003.db2.gz HFWYHIZJWATVLZ-KTWGYSIQSA-N 0 0 538.556 4.238 50 5 KIBARN COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCOC)C1c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000029747449 553847621 /nfs/dbraw/zinc/84/76/21/553847621.db2.gz MQGBKASKYRWTKV-UHFFFAOYSA-N 0 0 576.606 4.062 50 5 KIBARN COc1cc([C@@H]2[C@@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(Cl)cc2C)cc(OC)c1OC ZINC000029747483 553847593 /nfs/dbraw/zinc/84/75/93/553847593.db2.gz OLYOJDIUIURUGD-DHIUTWEWSA-N 0 0 551.939 4.335 50 5 KIBARN COc1cc([C@H]2[C@@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(Cl)cc2C)cc(OC)c1OC ZINC000029747485 553848011 /nfs/dbraw/zinc/84/80/11/553848011.db2.gz OLYOJDIUIURUGD-XZOQPEGZSA-N 0 0 551.939 4.335 50 5 KIBARN COc1cc([C@@H]2[C@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(Cl)cc2C)cc(OC)c1OC ZINC000029747487 553847921 /nfs/dbraw/zinc/84/79/21/553847921.db2.gz OLYOJDIUIURUGD-PKTZIBPZSA-N 0 0 551.939 4.335 50 5 KIBARN COc1cc([C@H]2[C@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(Cl)cc2C)cc(OC)c1OC ZINC000029747488 553847968 /nfs/dbraw/zinc/84/79/68/553847968.db2.gz OLYOJDIUIURUGD-GOTSBHOMSA-N 0 0 551.939 4.335 50 5 KIBARN COc1cc([C@@H]2[C@@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(Br)cc2)cc(OC)c1OC ZINC000029747498 553847912 /nfs/dbraw/zinc/84/79/12/553847912.db2.gz PAJNCSRHODHGCM-FGZHOGPDSA-N 0 0 582.363 4.136 50 5 KIBARN COc1cc([C@H]2[C@@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(Br)cc2)cc(OC)c1OC ZINC000029747500 553848053 /nfs/dbraw/zinc/84/80/53/553848053.db2.gz PAJNCSRHODHGCM-FCHUYYIVSA-N 0 0 582.363 4.136 50 5 KIBARN COc1cc([C@@H]2[C@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(Br)cc2)cc(OC)c1OC ZINC000029747502 553848025 /nfs/dbraw/zinc/84/80/25/553848025.db2.gz PAJNCSRHODHGCM-YADHBBJMSA-N 0 0 582.363 4.136 50 5 KIBARN COc1cc([C@H]2[C@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(Br)cc2)cc(OC)c1OC ZINC000029747503 553847956 /nfs/dbraw/zinc/84/79/56/553847956.db2.gz PAJNCSRHODHGCM-VXKWHMMOSA-N 0 0 582.363 4.136 50 5 KIBARN O=C1CS[C@@]2(C(=O)N(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c3ccccc32)N1c1cccc(Cl)c1 ZINC000029747538 553847909 /nfs/dbraw/zinc/84/79/09/553847909.db2.gz BNTQYWOIKKJHKI-MHZLTWQESA-N 0 0 550.040 4.307 50 5 KIBARN O=C1CS[C@]2(C(=O)N(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c3ccccc32)N1c1cccc(Cl)c1 ZINC000029747540 553848045 /nfs/dbraw/zinc/84/80/45/553848045.db2.gz BNTQYWOIKKJHKI-HHHXNRCGSA-N 0 0 550.040 4.307 50 5 KIBARN Cc1c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)sc2ncn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c12 ZINC000029748115 553849487 /nfs/dbraw/zinc/84/94/87/553849487.db2.gz UTSWTJNHMSRGCW-UHFFFAOYSA-N 0 0 600.579 4.295 50 5 KIBARN CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@@H]12 ZINC000029748133 553849566 /nfs/dbraw/zinc/84/95/66/553849566.db2.gz DJWZLRHNAFPZCC-QQNJPBSNSA-N 0 0 517.335 4.497 50 5 KIBARN CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@H]12 ZINC000029748135 553849467 /nfs/dbraw/zinc/84/94/67/553849467.db2.gz DJWZLRHNAFPZCC-VUUXHMSQSA-N 0 0 517.335 4.497 50 5 KIBARN CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@@H]12 ZINC000029748137 553849460 /nfs/dbraw/zinc/84/94/60/553849460.db2.gz DJWZLRHNAFPZCC-FGEXJBCWSA-N 0 0 517.335 4.497 50 5 KIBARN CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@H]12 ZINC000029748139 553849522 /nfs/dbraw/zinc/84/95/22/553849522.db2.gz DJWZLRHNAFPZCC-ZQFKLAOWSA-N 0 0 517.335 4.497 50 5 KIBARN Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)sc2nc3n(c(=O)c12)N=C(c1cccc([N+](=O)[O-])c1)CS3 ZINC000029749732 553852532 /nfs/dbraw/zinc/85/25/32/553852532.db2.gz XZSDSKRWMQXRER-UHFFFAOYSA-N 0 0 535.563 4.056 50 5 KIBARN CN(C)c1ccc(C(=O)c2ccccc2C(=O)N[C@H](c2nccn2C)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000032752696 553874663 /nfs/dbraw/zinc/87/46/63/553874663.db2.gz ZUXVBBHMGOISBW-DEOSSOPVSA-N 0 0 501.518 4.284 50 5 KIBARN CN(C)c1ccc(C(=O)c2ccccc2C(=O)N[C@@H](c2nccn2C)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000032752697 553874590 /nfs/dbraw/zinc/87/45/90/553874590.db2.gz ZUXVBBHMGOISBW-XMMPIXPASA-N 0 0 501.518 4.284 50 5 KIBARN O=C(c1ccc2c(c1)OCCO2)c1ccccc1C(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000032970852 553882929 /nfs/dbraw/zinc/88/29/29/553882929.db2.gz IEBDUILTOXSXNI-UHFFFAOYSA-N 0 0 507.930 4.213 50 5 KIBARN CSc1ccc(C(=O)c2ccccc2C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1[N+](=O)[O-] ZINC000032990858 553886793 /nfs/dbraw/zinc/88/67/93/553886793.db2.gz UFGNRRAQJJJGPT-UHFFFAOYSA-N 0 0 506.540 4.418 50 5 KIBARN COCCNC(=O)c1ccc2c(c1)nc(SCc1cccc([N+](=O)[O-])c1)n(Cc1ccccc1)c2=O ZINC000033074110 553905848 /nfs/dbraw/zinc/90/58/48/553905848.db2.gz OZBRXICVTIIHAJ-UHFFFAOYSA-N 0 0 504.568 4.022 50 5 KIBARN COCCNC(=O)c1ccc2c(c1)nc(SCc1ccc([N+](=O)[O-])cc1)n(Cc1ccccc1)c2=O ZINC000033074120 553905766 /nfs/dbraw/zinc/90/57/66/553905766.db2.gz LPDMUMPSRHFGCV-UHFFFAOYSA-N 0 0 504.568 4.022 50 5 KIBARN COCCNC(=O)c1ccc2c(c1)nc(SCc1cccc([N+](=O)[O-])c1)n(-c1cccc(F)c1)c2=O ZINC000033077569 553906703 /nfs/dbraw/zinc/90/67/03/553906703.db2.gz GOMPWEFOXCMJBV-UHFFFAOYSA-N 0 0 508.531 4.102 50 5 KIBARN COCCNC(=O)c1ccc2c(c1)nc(SCc1ccc([N+](=O)[O-])cc1)n(-c1cccc(F)c1)c2=O ZINC000033077575 553906764 /nfs/dbraw/zinc/90/67/64/553906764.db2.gz MAXMZZYCPQWYEY-UHFFFAOYSA-N 0 0 508.531 4.102 50 5 KIBARN O=C(c1ccc2c(c1)nc(SCc1cccc([N+](=O)[O-])c1)n(-c1ccc(F)cc1)c2=O)N1CCOCC1 ZINC000033077895 553907774 /nfs/dbraw/zinc/90/77/74/553907774.db2.gz RPFFRKDMCGKZRC-UHFFFAOYSA-N 0 0 520.542 4.198 50 5 KIBARN O=C(c1ccc2c(c1)nc(SCc1ccc([N+](=O)[O-])cc1)n(-c1ccc(F)cc1)c2=O)N1CCOCC1 ZINC000033077897 553907744 /nfs/dbraw/zinc/90/77/44/553907744.db2.gz BNCSUUDFMGALGP-UHFFFAOYSA-N 0 0 520.542 4.198 50 5 KIBARN O=C(c1ccc2c(c1)nc(SCc1cccc([N+](=O)[O-])c1)n(-c1cccc(F)c1)c2=O)N1CCOCC1 ZINC000033077952 553908061 /nfs/dbraw/zinc/90/80/61/553908061.db2.gz LRQXMPYDZPXTBB-UHFFFAOYSA-N 0 0 520.542 4.198 50 5 KIBARN O=C(c1ccc2c(c1)nc(SCc1ccc([N+](=O)[O-])cc1)n(-c1cccc(F)c1)c2=O)N1CCOCC1 ZINC000033077957 553908007 /nfs/dbraw/zinc/90/80/07/553908007.db2.gz XUDIIFVQHUEAIZ-UHFFFAOYSA-N 0 0 520.542 4.198 50 5 KIBARN O=C(NC1CCCC1)c1ccc2c(c1)nc(SCc1cccc([N+](=O)[O-])c1)n(C[C@@H]1CCCO1)c2=O ZINC000033269213 553919402 /nfs/dbraw/zinc/91/94/02/553919402.db2.gz ZBPVFHIQLAYWRZ-NRFANRHFSA-N 0 0 508.600 4.448 50 5 KIBARN O=C(NC1CCCC1)c1ccc2c(c1)nc(SCc1cccc([N+](=O)[O-])c1)n(C[C@H]1CCCO1)c2=O ZINC000033269214 553919355 /nfs/dbraw/zinc/91/93/55/553919355.db2.gz ZBPVFHIQLAYWRZ-OAQYLSRUSA-N 0 0 508.600 4.448 50 5 KIBARN O=c1c2ccccc2c2ccccc2c(=O)n1CCOCCOCCn1c(=O)c2ccccc2c2ccccc2c1=O ZINC000033353365 553924840 /nfs/dbraw/zinc/92/48/40/553924840.db2.gz WQRBBYALTXFMNM-UHFFFAOYSA-N 0 0 560.606 4.077 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000033353456 553925507 /nfs/dbraw/zinc/92/55/07/553925507.db2.gz RJZGLRLCURVMHV-UTWPHBJQSA-N 0 0 638.452 4.458 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000033353457 553925475 /nfs/dbraw/zinc/92/54/75/553925475.db2.gz RJZGLRLCURVMHV-VPVLBGOXSA-N 0 0 638.452 4.458 50 5 KIBARN COc1ccc(Cl)cc1N(CC(=O)NCCCC(C)(C)C1OCCO1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000033353498 553925584 /nfs/dbraw/zinc/92/55/84/553925584.db2.gz FSTNUACBQOHKMH-UHFFFAOYSA-N 0 0 570.064 4.056 50 5 KIBARN O=C(NN1C(=O)c2ccccc2C1=O)c1cccc(N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)c1 ZINC000033353513 553925681 /nfs/dbraw/zinc/92/56/81/553925681.db2.gz UEFRLPVVUDGEGO-UHFFFAOYSA-N 0 0 548.467 4.129 50 5 KIBARN O=C(Oc1c(Br)cc(C(=S)N2CCOCC2)cc1Br)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000033353588 553925980 /nfs/dbraw/zinc/92/59/80/553925980.db2.gz MWMFTSXZXXNQME-UHFFFAOYSA-N 0 0 575.191 4.255 50 5 KIBARN COc1ccc(CCNc2cc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)ccc2[N+](=O)[O-])cc1OC ZINC000033353832 553927264 /nfs/dbraw/zinc/92/72/64/553927264.db2.gz QYHCKNGXTBTETM-UHFFFAOYSA-N 0 0 561.060 4.431 50 5 KIBARN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000033354030 553928079 /nfs/dbraw/zinc/92/80/79/553928079.db2.gz CSGDAFCQDBMKIA-UHFFFAOYSA-N 0 0 533.946 4.128 50 5 KIBARN O=C(NN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)C(=O)N(c1ccc(Sc3ccc([N+](=O)[O-])cc3)cc1)C2=O ZINC000033354109 553928466 /nfs/dbraw/zinc/92/84/66/553928466.db2.gz ZWOXGPHYVVZOTH-UHFFFAOYSA-N 0 0 564.535 4.488 50 5 KIBARN COC(=O)C1=C(C(=O)OC)[C@@H](c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)c2sc(=O)[nH]c2S1 ZINC000033354390 553929504 /nfs/dbraw/zinc/92/95/04/553929504.db2.gz GIGXJMCVWGFMDW-MRXNPFEDSA-N 0 0 548.982 4.415 50 5 KIBARN COC(=O)C1=C(C(=O)OC)[C@H](c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)c2sc(=O)[nH]c2S1 ZINC000033354394 553929473 /nfs/dbraw/zinc/92/94/73/553929473.db2.gz GIGXJMCVWGFMDW-INIZCTEOSA-N 0 0 548.982 4.415 50 5 KIBARN O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000033354675 553930976 /nfs/dbraw/zinc/93/09/76/553930976.db2.gz OOPQSCQXWJJULB-UHFFFAOYSA-N 0 0 526.370 4.033 50 5 KIBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1NCc1ccco1 ZINC000033355279 553933963 /nfs/dbraw/zinc/93/39/63/553933963.db2.gz UXNFSZCVQBLYRJ-UHFFFAOYSA-N 0 0 521.393 4.073 50 5 KIBARN COc1ccccc1CNC(=O)c1ccc(Cn2c(=O)c3ccccc3n(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1 ZINC000033356071 553938837 /nfs/dbraw/zinc/93/88/37/553938837.db2.gz JQXVHPWMONMHPJ-UHFFFAOYSA-N 0 0 550.571 4.107 50 5 KIBARN COc1ccc(CC(=O)Oc2c(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(C)nn2-c2ccccc2)cc1OC ZINC000033356087 553938875 /nfs/dbraw/zinc/93/88/75/553938875.db2.gz SVBFQOHTKZNPDS-UHFFFAOYSA-N 0 0 537.550 4.087 50 5 KIBARN Cc1nn(-c2ccccc2)c(OC(=O)c2ccc(Br)o2)c1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000033356088 553938854 /nfs/dbraw/zinc/93/88/54/553938854.db2.gz LOKARMHRHUNMFL-UHFFFAOYSA-N 0 0 532.328 4.496 50 5 KIBARN O=C(NCc1ccccc1Cl)c1ccc2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)n(Cc3cccc([N+](=O)[O-])c3)c2c1 ZINC000033356371 553940946 /nfs/dbraw/zinc/94/09/46/553940946.db2.gz VNCZQBNMPFAWIT-UHFFFAOYSA-N 0 0 598.999 4.480 50 5 KIBARN O=C(c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000033356399 553941063 /nfs/dbraw/zinc/94/10/63/553941063.db2.gz JHVGYZXYLSNSFV-UHFFFAOYSA-N 0 0 524.382 4.431 50 5 KIBARN Cc1ccc(CNC(=O)Cc2ccc(-n3c(=O)c4sccc4n(Cc4cccc([N+](=O)[O-])c4)c3=O)cc2)cc1 ZINC000033357759 553950653 /nfs/dbraw/zinc/95/06/53/553950653.db2.gz VCVQFYGHGLOXRM-UHFFFAOYSA-N 0 0 540.601 4.338 50 5 KIBARN NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3cc(C(=O)NCc4ccccc4)ccc3c3nc4ccccc4n32)cc1 ZINC000033357773 553950913 /nfs/dbraw/zinc/95/09/13/553950913.db2.gz YEORAHSMZUTYGP-UHFFFAOYSA-N 0 0 624.748 4.064 50 5 KIBARN O=C(CCn1c(=O)c2cc3c(cc2nc1SCc1cccc([N+](=O)[O-])c1)OCO3)N1CCN(c2ccccc2)CC1 ZINC000033357881 553951639 /nfs/dbraw/zinc/95/16/39/553951639.db2.gz IZDYCCKKYWLHPO-UHFFFAOYSA-N 0 0 573.631 4.065 50 5 KIBARN COc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000033358123 553953081 /nfs/dbraw/zinc/95/30/81/553953081.db2.gz QBNTZVIYNYRJQF-RSXGOPAZSA-N 0 0 684.775 4.152 50 5 KIBARN COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCOC)C1c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000033358298 553954452 /nfs/dbraw/zinc/95/44/52/553954452.db2.gz RLMBBGXUTINXID-UHFFFAOYSA-N 0 0 576.606 4.062 50 5 KIBARN O=C1[C@H](N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@H](c2ccc3c(c2)OCO3)N1c1ccc(Cl)c(Cl)c1 ZINC000033358417 553955463 /nfs/dbraw/zinc/95/54/63/553955463.db2.gz NDUJCHAPBNLTNO-LEWJYISDSA-N 0 0 526.288 4.383 50 5 KIBARN O=C1[C@H](N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@@H](c2ccc3c(c2)OCO3)N1c1ccc(Cl)c(Cl)c1 ZINC000033358418 553955562 /nfs/dbraw/zinc/95/55/62/553955562.db2.gz NDUJCHAPBNLTNO-NHCUHLMSSA-N 0 0 526.288 4.383 50 5 KIBARN O=C1[C@@H](N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@H](c2ccc3c(c2)OCO3)N1c1ccc(Cl)c(Cl)c1 ZINC000033358419 553955399 /nfs/dbraw/zinc/95/53/99/553955399.db2.gz NDUJCHAPBNLTNO-SFTDATJTSA-N 0 0 526.288 4.383 50 5 KIBARN O=C1[C@@H](N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@@H](c2ccc3c(c2)OCO3)N1c1ccc(Cl)c(Cl)c1 ZINC000033358420 553955486 /nfs/dbraw/zinc/95/54/86/553955486.db2.gz NDUJCHAPBNLTNO-RTWAWAEBSA-N 0 0 526.288 4.383 50 5 KIBARN COCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000033404110 553958910 /nfs/dbraw/zinc/95/89/10/553958910.db2.gz JUZDLUWIZDRBJK-UHFFFAOYSA-N 0 0 513.554 4.483 50 5 KIBARN CCOCCCN(CC(=O)N(Cc1ccco1)Cc1ccc2c(c1)OCO2)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000033438270 553960506 /nfs/dbraw/zinc/96/05/06/553960506.db2.gz WVYUNUJQSXBEGY-UHFFFAOYSA-N 0 0 523.542 4.014 50 5 KIBARN CN(C)c1ccc(-c2nnc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])cc3Cl)s2)cc1 ZINC000033855549 553975204 /nfs/dbraw/zinc/97/52/04/553975204.db2.gz PXBROQALLMLODZ-SFHVURJKSA-N 0 0 500.968 4.076 50 5 KIBARN CN(C)c1ccc(-c2nnc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])cc3Cl)s2)cc1 ZINC000033855551 553975271 /nfs/dbraw/zinc/97/52/71/553975271.db2.gz PXBROQALLMLODZ-GOSISDBHSA-N 0 0 500.968 4.076 50 5 KIBARN CC(=O)c1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc([N+](=O)[O-])cc4)N4C=Cc5ccccc5[C@@H]34)C2O)cc1 ZINC000033918950 553976572 /nfs/dbraw/zinc/97/65/72/553976572.db2.gz IUTWYLKQEPPCIC-QYOOZWMWSA-N 0 0 507.502 4.196 50 5 KIBARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]3[C@@H]3c4ccccc4C=CN23)cc1 ZINC000034367938 553981451 /nfs/dbraw/zinc/98/14/51/553981451.db2.gz PWIOCAWDPSREDL-XPGKHFPBSA-N 0 0 509.518 4.310 50 5 KIBARN Cc1ccc(C(=O)N2CCN(c3nc4ccccc4c4nnc(Cc5ccccc5)n43)CC2)cc1[N+](=O)[O-] ZINC000034700452 553992596 /nfs/dbraw/zinc/99/25/96/553992596.db2.gz CYCLHOYGMNFGIU-UHFFFAOYSA-N 0 0 507.554 4.047 50 5 KIBARN Cc1ccc(C(=O)N2CCN(c3nc4ccccc4c4nnc(Cc5ccccc5)n43)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000034700500 553992906 /nfs/dbraw/zinc/99/29/06/553992906.db2.gz VCVIKIKTXNONBB-FQEVSTJZSA-N 0 0 521.581 4.436 50 5 KIBARN Cc1ccc(C(=O)N2CCN(c3nc4ccccc4c4nnc(Cc5ccccc5)n43)C[C@H]2C)cc1[N+](=O)[O-] ZINC000034700501 553992895 /nfs/dbraw/zinc/99/28/95/553992895.db2.gz VCVIKIKTXNONBB-HXUWFJFHSA-N 0 0 521.581 4.436 50 5 KIBARN Cc1ccc(C(=O)N2CCCN(c3nc4ccccc4c4nnc(Cc5ccccc5)n43)CC2)cc1[N+](=O)[O-] ZINC000034700524 553992908 /nfs/dbraw/zinc/99/29/08/553992908.db2.gz DOBKDIMKPIENJP-UHFFFAOYSA-N 0 0 521.581 4.437 50 5 KIBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCCN(c2nc3ccccc3c3nnc(Cc4ccccc4)n32)CC1 ZINC000034700525 553992910 /nfs/dbraw/zinc/99/29/10/553992910.db2.gz AVNCFZFUHPVJGV-UHFFFAOYSA-N 0 0 507.554 4.129 50 5 KIBARN O=C(c1ccccc1Cl)N1CCN(c2nc3ccccc3c3nnc(-c4ccccc4[N+](=O)[O-])n32)CC1 ZINC000034700541 553992858 /nfs/dbraw/zinc/99/28/58/553992858.db2.gz YTZLEEHMZCFSES-UHFFFAOYSA-N 0 0 513.945 4.469 50 5 KIBARN O=C(c1ccc(Cl)cc1)N1CCN(c2nc3ccccc3c3nnc(-c4ccccc4[N+](=O)[O-])n32)CC1 ZINC000034700546 553992845 /nfs/dbraw/zinc/99/28/45/553992845.db2.gz URAQPIIMZANQPG-UHFFFAOYSA-N 0 0 513.945 4.469 50 5 KIBARN O=C(c1ccc(F)cc1F)N1CCN(c2nc3ccccc3c3nnc(-c4ccccc4[N+](=O)[O-])n32)CC1 ZINC000034700549 553992867 /nfs/dbraw/zinc/99/28/67/553992867.db2.gz BEODSJQUSFXEAT-UHFFFAOYSA-N 0 0 515.480 4.093 50 5 KIBARN COc1ccc(C(=O)N2CCCN(c3nc4ccccc4c4nnc(-c5ccccc5[N+](=O)[O-])n43)CC2)cc1 ZINC000034700564 553992888 /nfs/dbraw/zinc/99/28/88/553992888.db2.gz WQGBIHLAANPGRX-UHFFFAOYSA-N 0 0 523.553 4.214 50 5 KIBARN COc1ccccc1C(=O)N1CCCN(c2nc3ccccc3c3nnc(-c4ccccc4[N+](=O)[O-])n32)CC1 ZINC000034700571 553992851 /nfs/dbraw/zinc/99/28/51/553992851.db2.gz DFCUVHXLKISUPA-UHFFFAOYSA-N 0 0 523.553 4.214 50 5 KIBARN O=C(Cc1cccs1)N1CCCN(c2nc3ccccc3c3nnc(-c4ccccc4[N+](=O)[O-])n32)CC1 ZINC000034700572 553992839 /nfs/dbraw/zinc/99/28/39/553992839.db2.gz GFGNTCRMSFIQEL-UHFFFAOYSA-N 0 0 513.583 4.196 50 5 KIBARN Cc1ccccc1[C@@H]1c2ccsc2CCN1CC(=O)N1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000034787934 554005428 /nfs/dbraw/zinc/00/54/28/554005428.db2.gz VQCJYDQMOOXHMG-HHHXNRCGSA-N 0 0 518.639 4.287 50 5 KIBARN Cc1ccccc1[C@H]1c2ccsc2CCN1CC(=O)N1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000034787937 554005413 /nfs/dbraw/zinc/00/54/13/554005413.db2.gz VQCJYDQMOOXHMG-MHZLTWQESA-N 0 0 518.639 4.287 50 5 KIBARN Cc1ccccc1[C@@H]1c2ccsc2CCN1CC(=O)N1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000034787940 554005304 /nfs/dbraw/zinc/00/53/04/554005304.db2.gz LQHRWJSOKWUUMI-HHHXNRCGSA-N 0 0 518.639 4.287 50 5 KIBARN Cc1ccccc1[C@H]1c2ccsc2CCN1CC(=O)N1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000034787943 554005206 /nfs/dbraw/zinc/00/52/06/554005206.db2.gz LQHRWJSOKWUUMI-MHZLTWQESA-N 0 0 518.639 4.287 50 5 KIBARN O=C(CN1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000034788516 554005897 /nfs/dbraw/zinc/00/58/97/554005897.db2.gz PZJBNTQDBFWPNE-AREMUKBSSA-N 0 0 522.602 4.118 50 5 KIBARN O=C(CN1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000034788519 554005913 /nfs/dbraw/zinc/00/59/13/554005913.db2.gz PZJBNTQDBFWPNE-SANMLTNESA-N 0 0 522.602 4.118 50 5 KIBARN O=C(CN1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000034788523 554005823 /nfs/dbraw/zinc/00/58/23/554005823.db2.gz RJPSLJDRZNMERL-AREMUKBSSA-N 0 0 522.602 4.118 50 5 KIBARN O=C(CN1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000034788526 554005709 /nfs/dbraw/zinc/00/57/09/554005709.db2.gz RJPSLJDRZNMERL-SANMLTNESA-N 0 0 522.602 4.118 50 5 KIBARN O=C(CN1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000034788855 554006409 /nfs/dbraw/zinc/00/64/09/554006409.db2.gz GUIJDKBYLHOBRS-RUZDIDTESA-N 0 0 523.590 4.119 50 5 KIBARN O=C(CN1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000034788858 554006204 /nfs/dbraw/zinc/00/62/04/554006204.db2.gz GUIJDKBYLHOBRS-VWLOTQADSA-N 0 0 523.590 4.119 50 5 KIBARN CCCCc1nc2onc(-c3ccccc3)c2c(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000034810728 554010207 /nfs/dbraw/zinc/01/02/07/554010207.db2.gz YGQJXBJWSVITBU-UHFFFAOYSA-N 0 0 522.587 4.047 50 5 KIBARN Cc1ccc([C@@H]2c3ccsc3CCN2CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H](C)C2)cc1 ZINC000034829718 554012508 /nfs/dbraw/zinc/01/25/08/554012508.db2.gz PNACUEODDDPQLK-NFQMXDRXSA-N 0 0 518.639 4.285 50 5 KIBARN Cc1ccc([C@H]2c3ccsc3CCN2CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H](C)C2)cc1 ZINC000034829719 554012708 /nfs/dbraw/zinc/01/27/08/554012708.db2.gz PNACUEODDDPQLK-HRFSGMKKSA-N 0 0 518.639 4.285 50 5 KIBARN Cc1ccc([C@@H]2c3ccsc3CCN2CC(=O)N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@H](C)C2)cc1 ZINC000034829720 554012638 /nfs/dbraw/zinc/01/26/38/554012638.db2.gz QQWIDZSQXFREFM-NFQMXDRXSA-N 0 0 518.639 4.285 50 5 KIBARN Cc1ccc([C@H]2c3ccsc3CCN2CC(=O)N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@H](C)C2)cc1 ZINC000034829721 554012570 /nfs/dbraw/zinc/01/25/70/554012570.db2.gz QQWIDZSQXFREFM-HRFSGMKKSA-N 0 0 518.639 4.285 50 5 KIBARN Cc1ccccc1[C@@H]1c2ccsc2CCN1CC(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000034829802 554012913 /nfs/dbraw/zinc/01/29/13/554012913.db2.gz DQCUEAMQQWIAIZ-NFQMXDRXSA-N 0 0 518.639 4.285 50 5 KIBARN Cc1ccccc1[C@H]1c2ccsc2CCN1CC(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000034829803 554013046 /nfs/dbraw/zinc/01/30/46/554013046.db2.gz DQCUEAMQQWIAIZ-HRFSGMKKSA-N 0 0 518.639 4.285 50 5 KIBARN C[C@@H]1CN(C(=O)CN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000034829872 554013108 /nfs/dbraw/zinc/01/31/08/554013108.db2.gz PFYMMPAQDXQOMJ-DWXRJYCRSA-N 0 0 522.602 4.116 50 5 KIBARN C[C@H]1CN(C(=O)CN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000034829873 554013268 /nfs/dbraw/zinc/01/32/68/554013268.db2.gz PFYMMPAQDXQOMJ-QYBDOPJKSA-N 0 0 522.602 4.116 50 5 KIBARN C[C@@H]1CN(C(=O)CN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000034829874 554013141 /nfs/dbraw/zinc/01/31/41/554013141.db2.gz JHUDWIZQKDZMOT-DWXRJYCRSA-N 0 0 522.602 4.116 50 5 KIBARN C[C@H]1CN(C(=O)CN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000034829875 554013236 /nfs/dbraw/zinc/01/32/36/554013236.db2.gz JHUDWIZQKDZMOT-QYBDOPJKSA-N 0 0 522.602 4.116 50 5 KIBARN COc1ccc(CCN(Cc2ccco2)C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)C2CC2)cc1OC ZINC000034852229 554021353 /nfs/dbraw/zinc/02/13/53/554021353.db2.gz XSHBUDZRQPFZQT-UHFFFAOYSA-N 0 0 507.543 4.081 50 5 KIBARN COc1ccccc1OCc1nc(C(=O)NC2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3)CC2)cs1 ZINC000034905700 554025942 /nfs/dbraw/zinc/02/59/42/554025942.db2.gz FSACGOPYMUJNPL-UHFFFAOYSA-N 0 0 510.572 4.110 50 5 KIBARN COc1ccccc1OCc1nc(C(=O)NC2CCC(NC(=O)c3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000034905701 554025915 /nfs/dbraw/zinc/02/59/15/554025915.db2.gz OXNLRUNMGLIFHH-UHFFFAOYSA-N 0 0 510.572 4.110 50 5 KIBARN COc1ccccc1OCc1nc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000034905765 554025940 /nfs/dbraw/zinc/02/59/40/554025940.db2.gz PKLWHRDEGOFMKV-RBUKOAKNSA-N 0 0 510.572 4.110 50 5 KIBARN COc1ccccc1OCc1nc(C(=O)N[C@H]2CCCC[C@@H]2NC(=O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000034905766 554025919 /nfs/dbraw/zinc/02/59/19/554025919.db2.gz PKLWHRDEGOFMKV-OALUTQOASA-N 0 0 510.572 4.110 50 5 KIBARN COc1ccccc1OCc1nc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000034905767 554025930 /nfs/dbraw/zinc/02/59/30/554025930.db2.gz PKLWHRDEGOFMKV-RTBURBONSA-N 0 0 510.572 4.110 50 5 KIBARN COc1ccccc1OCc1nc(C(=O)N[C@H]2CCCC[C@H]2NC(=O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000034905768 554025964 /nfs/dbraw/zinc/02/59/64/554025964.db2.gz PKLWHRDEGOFMKV-MOPGFXCFSA-N 0 0 510.572 4.110 50 5 KIBARN COc1cc(-c2cc(CN(C[C@@H]3CCCO3)C(=O)c3ccc(C)c([N+](=O)[O-])c3)no2)cc(OC)c1OC ZINC000034922324 554031999 /nfs/dbraw/zinc/03/19/99/554031999.db2.gz IWUKVCKBEAJDAJ-FQEVSTJZSA-N 0 0 511.531 4.405 50 5 KIBARN COc1cc(-c2cc(CN(C[C@H]3CCCO3)C(=O)c3ccc(C)c([N+](=O)[O-])c3)no2)cc(OC)c1OC ZINC000034922325 554031972 /nfs/dbraw/zinc/03/19/72/554031972.db2.gz IWUKVCKBEAJDAJ-HXUWFJFHSA-N 0 0 511.531 4.405 50 5 KIBARN COc1cc(-c2cc(CN(C[C@@H]3CCCO3)C(=O)Nc3ccc([N+](=O)[O-])cc3)no2)cc(OC)c1OC ZINC000034922426 554032127 /nfs/dbraw/zinc/03/21/27/554032127.db2.gz QQNGBVKVVRIZCP-FQEVSTJZSA-N 0 0 512.519 4.489 50 5 KIBARN COc1cc(-c2cc(CN(C[C@H]3CCCO3)C(=O)Nc3ccc([N+](=O)[O-])cc3)no2)cc(OC)c1OC ZINC000034922427 554032191 /nfs/dbraw/zinc/03/21/91/554032191.db2.gz QQNGBVKVVRIZCP-HXUWFJFHSA-N 0 0 512.519 4.489 50 5 KIBARN O=C1CSC2(CCN(S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)N1c1ccc(Cl)cc1 ZINC000034927570 554032513 /nfs/dbraw/zinc/03/25/13/554032513.db2.gz CHLZTSOAAOMIFI-UHFFFAOYSA-N 0 0 502.401 4.162 50 5 KIBARN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000035086408 554034574 /nfs/dbraw/zinc/03/45/74/554034574.db2.gz PKDRVZOKFGMDRB-HNNXBMFYSA-N 0 0 501.492 4.027 50 5 KIBARN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000035086410 554034488 /nfs/dbraw/zinc/03/44/88/554034488.db2.gz PKDRVZOKFGMDRB-OAHLLOKOSA-N 0 0 501.492 4.027 50 5 KIBARN Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000035341239 554043680 /nfs/dbraw/zinc/04/36/80/554043680.db2.gz OOAVOBPEMMXPPX-UHFFFAOYSA-N 0 0 505.527 4.430 50 5 KIBARN CCCC[C@H](CC)C(=O)N1CCN(C(=O)[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@@H](C)CC)C[C@@H]1C ZINC000035688239 554063446 /nfs/dbraw/zinc/06/34/46/554063446.db2.gz BWDSSFOIJVTZFK-RULYKVHKSA-N 0 0 514.667 4.415 50 5 KIBARN Cc1nnc(SCCCC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H](C)C2)n1-c1ccc(C)cc1 ZINC000035691589 554063634 /nfs/dbraw/zinc/06/36/34/554063634.db2.gz DXKAXJQHJBKWOO-LJQANCHMSA-N 0 0 522.631 4.038 50 5 KIBARN Cc1nnc(SCCCC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](C)C2)n1-c1ccc(C)cc1 ZINC000035691592 554063678 /nfs/dbraw/zinc/06/36/78/554063678.db2.gz DXKAXJQHJBKWOO-IBGZPJMESA-N 0 0 522.631 4.038 50 5 KIBARN COCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000035700072 554063659 /nfs/dbraw/zinc/06/36/59/554063659.db2.gz RWEUGCXDGZSEJG-UHFFFAOYSA-N 0 0 507.591 4.422 50 5 KIBARN COc1cccc(-c2nnc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000035724056 554067747 /nfs/dbraw/zinc/06/77/47/554067747.db2.gz ZOZYGKNAEFCBIT-OAQYLSRUSA-N 0 0 503.540 4.102 50 5 KIBARN COc1cccc(-c2nnc(NC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000035724058 554067876 /nfs/dbraw/zinc/06/78/76/554067876.db2.gz ZOZYGKNAEFCBIT-NRFANRHFSA-N 0 0 503.540 4.102 50 5 KIBARN O=C(Nc1nnc(-c2cccc(Br)c2)s1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000035724317 554067821 /nfs/dbraw/zinc/06/78/21/554067821.db2.gz CNHSJTXZBCLHIL-INIZCTEOSA-N 0 0 502.350 4.119 50 5 KIBARN O=C(Nc1nnc(-c2cccc(Br)c2)s1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000035724320 554067798 /nfs/dbraw/zinc/06/77/98/554067798.db2.gz CNHSJTXZBCLHIL-MRXNPFEDSA-N 0 0 502.350 4.119 50 5 KIBARN COc1ccc(CC(=O)N2CCN(c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3)CC2)cc1 ZINC000035746462 554070357 /nfs/dbraw/zinc/07/03/57/554070357.db2.gz ARJFQDKVFFWNJY-UHFFFAOYSA-N 0 0 508.962 4.400 50 5 KIBARN COc1ccc(CCN(Cc2ccco2)C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)C(C)C)cc1OC ZINC000035764742 554071145 /nfs/dbraw/zinc/07/11/45/554071145.db2.gz QZVBYGNTDGFFCW-UHFFFAOYSA-N 0 0 509.559 4.327 50 5 KIBARN COCCN(CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000035767708 554071663 /nfs/dbraw/zinc/07/16/63/554071663.db2.gz VONKYICXAXIMJU-UHFFFAOYSA-N 0 0 503.914 4.298 50 5 KIBARN CC(C)CN(Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000035770508 554072758 /nfs/dbraw/zinc/07/27/58/554072758.db2.gz QJKRRQMTGQSAJN-UHFFFAOYSA-N 0 0 522.576 4.349 50 5 KIBARN CCOCCOc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)n1 ZINC000035806580 554075737 /nfs/dbraw/zinc/07/57/37/554075737.db2.gz GYZDNVPGNXORDL-UHFFFAOYSA-N 0 0 517.498 4.239 50 5 KIBARN Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@H](C(=O)c2cccnc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN21 ZINC000035851582 554083561 /nfs/dbraw/zinc/08/35/61/554083561.db2.gz ADMFIICMWZIGRN-IQXSCUCBSA-N 0 0 500.580 4.425 50 5 KIBARN CC(C)c1nc2sc3c(c2c(N2CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC2)n1)CC[C@@H](C)C3 ZINC000035867903 554084720 /nfs/dbraw/zinc/08/47/20/554084720.db2.gz IMIHOBVKLSGKNK-MRXNPFEDSA-N 0 0 515.661 4.359 50 5 KIBARN CC(C)c1nc2sc3c(c2c(N2CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC2)n1)CC[C@H](C)C3 ZINC000035867904 554084727 /nfs/dbraw/zinc/08/47/27/554084727.db2.gz IMIHOBVKLSGKNK-INIZCTEOSA-N 0 0 515.661 4.359 50 5 KIBARN Cc1sc2nc(C3CC3)nc(N3CCN(S(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)CC3)c2c1C ZINC000035867976 554085024 /nfs/dbraw/zinc/08/50/24/554085024.db2.gz MVAIRCAKNMYBLV-UHFFFAOYSA-N 0 0 508.025 4.258 50 5 KIBARN CCCc1nc2sc3c(c2c(N2CCN(C(=O)c4ccc(C)c([N+](=O)[O-])c4)CC2)n1)CCN(CC)C3 ZINC000035868017 554085075 /nfs/dbraw/zinc/08/50/75/554085075.db2.gz QJTSPHKGHXITKI-UHFFFAOYSA-N 0 0 508.648 4.201 50 5 KIBARN COc1ccc(CCNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccccc4Cl)C[C@H]23)cc1 ZINC000035870926 554085397 /nfs/dbraw/zinc/08/53/97/554085397.db2.gz KLSPOQMROUXJPJ-YIXXDRMTSA-N 0 0 521.017 4.483 50 5 KIBARN COc1ccc(CCNC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccccc4Cl)C[C@H]23)cc1 ZINC000035870929 554085517 /nfs/dbraw/zinc/08/55/17/554085517.db2.gz KLSPOQMROUXJPJ-WNCULLNHSA-N 0 0 521.017 4.483 50 5 KIBARN COc1ccc(CCNC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccc(C)cc4)C[C@@H]23)cc1 ZINC000035871060 554085899 /nfs/dbraw/zinc/08/58/99/554085899.db2.gz PFRPVGBUHVUDBX-XCZPVHLTSA-N 0 0 500.599 4.138 50 5 KIBARN COc1ccccc1CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccc(C)cc3)C[C@@H]12 ZINC000035871063 554085677 /nfs/dbraw/zinc/08/56/77/554085677.db2.gz CNPVJUINVDQXKN-BDYUSTAISA-N 0 0 500.599 4.138 50 5 KIBARN Cc1nc(C)c(Cc2ccc([N+](=O)[O-])cc2)c(N2CCN(C(=O)c3cccc(Br)c3)CC2)n1 ZINC000035887909 554089066 /nfs/dbraw/zinc/08/90/66/554089066.db2.gz BJBJCOWCGZTTMS-UHFFFAOYSA-N 0 0 510.392 4.317 50 5 KIBARN CCc1c(C)nc(-c2cccc(C)c2)nc1N1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000035891154 554090372 /nfs/dbraw/zinc/09/03/72/554090372.db2.gz FPOOKSXYCYTDJX-UHFFFAOYSA-N 0 0 516.023 4.395 50 5 KIBARN COc1ccc(CCNC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccc(C)cc4)C[C@@H]23)cc1OC ZINC000035894885 554091844 /nfs/dbraw/zinc/09/18/44/554091844.db2.gz MEMMZTPMQLHANU-BDYUSTAISA-N 0 0 530.625 4.147 50 5 KIBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035908268 554092688 /nfs/dbraw/zinc/09/26/88/554092688.db2.gz MDXTXIDPTASJNL-UHFFFAOYSA-N 0 0 519.565 4.277 50 5 KIBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035908269 554092681 /nfs/dbraw/zinc/09/26/81/554092681.db2.gz FMVVVZZEXXZSIS-UHFFFAOYSA-N 0 0 519.565 4.277 50 5 KIBARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1F ZINC000035945783 554102689 /nfs/dbraw/zinc/10/26/89/554102689.db2.gz TXHAQLMOJPPLKE-QFIPXVFZSA-N 0 0 510.547 4.262 50 5 KIBARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1F ZINC000035945784 554102668 /nfs/dbraw/zinc/10/26/68/554102668.db2.gz TXHAQLMOJPPLKE-JOCHJYFZSA-N 0 0 510.547 4.262 50 5 KIBARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccc([N+](=O)[O-])c1)C(=O)c1cccc(F)c1 ZINC000035945786 554102607 /nfs/dbraw/zinc/10/26/07/554102607.db2.gz VVNCBCIIVXRAOM-QFIPXVFZSA-N 0 0 510.547 4.262 50 5 KIBARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccc([N+](=O)[O-])c1)C(=O)c1cccc(F)c1 ZINC000035945787 554102651 /nfs/dbraw/zinc/10/26/51/554102651.db2.gz VVNCBCIIVXRAOM-JOCHJYFZSA-N 0 0 510.547 4.262 50 5 KIBARN COCCN(CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccc(OC)cc1)C(=O)CC(C)(C)C ZINC000035960301 554108117 /nfs/dbraw/zinc/10/81/17/554108117.db2.gz MHUOCKRRXKSDDL-DEOSSOPVSA-N 0 0 510.591 4.192 50 5 KIBARN COCCN(CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccc(OC)cc1)C(=O)CC(C)(C)C ZINC000035960302 554108105 /nfs/dbraw/zinc/10/81/05/554108105.db2.gz MHUOCKRRXKSDDL-XMMPIXPASA-N 0 0 510.591 4.192 50 5 KIBARN COc1ccc(C(=O)C2=C3C(O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@H]3[C@@H]3c4ccccc4C=CN23)cc1 ZINC000036006841 554131689 /nfs/dbraw/zinc/13/16/89/554131689.db2.gz HGLVIFNJPCFVLH-XPGKHFPBSA-N 0 0 509.518 4.310 50 5 KIBARN Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@H](C(=O)c2cccnc2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN21 ZINC000036307714 554216307 /nfs/dbraw/zinc/21/63/07/554216307.db2.gz ADMFIICMWZIGRN-GRSOWLQASA-N 0 0 500.580 4.425 50 5 KIBARN CCCc1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000037377423 554235451 /nfs/dbraw/zinc/23/54/51/554235451.db2.gz SRBBHNFSRISPKJ-UHFFFAOYSA-N 0 0 503.538 4.086 50 5 KIBARN CCCc1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000037378225 554235852 /nfs/dbraw/zinc/23/58/52/554235852.db2.gz CTWXIGJHGTUWSI-UHFFFAOYSA-N 0 0 517.565 4.476 50 5 KIBARN CCCc1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000037378228 554235858 /nfs/dbraw/zinc/23/58/58/554235858.db2.gz FZZJQABAHGBONC-UHFFFAOYSA-N 0 0 517.565 4.476 50 5 KIBARN CCCCc1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000037379380 554236402 /nfs/dbraw/zinc/23/64/02/554236402.db2.gz FIKJLUKBTGSYBR-UHFFFAOYSA-N 0 0 517.565 4.476 50 5 KIBARN CCS(=O)(=O)c1ccc2oc(-c3cc([N+](=O)[O-])ccc3OS(=O)(=O)c3ccc(C)cc3)nc2c1 ZINC000037427416 554246758 /nfs/dbraw/zinc/24/67/58/554246758.db2.gz LLBBPKHDTNYCQA-UHFFFAOYSA-N 0 0 502.526 4.273 50 5 KIBARN O=C(COC(=O)c1ccc([N+](=O)[O-])o1)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000042891515 554297106 /nfs/dbraw/zinc/29/71/06/554297106.db2.gz ZLVANECEZQYXPE-HNNXBMFYSA-N 0 0 536.360 4.443 50 5 KIBARN O=C(COC(=O)c1ccc([N+](=O)[O-])o1)N(C[C@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000042891522 554297151 /nfs/dbraw/zinc/29/71/51/554297151.db2.gz ZLVANECEZQYXPE-OAHLLOKOSA-N 0 0 536.360 4.443 50 5 KIBARN O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN21 ZINC000043710823 554299113 /nfs/dbraw/zinc/29/91/13/554299113.db2.gz ZULPAKODZSFDPI-KIHHCIJBSA-N 0 0 514.925 4.402 50 5 KIBARN COC(=O)c1ccc(CSc2nnc3c4sc5nc(N6CCOCC6)c6c(c5c4ncn23)CC(C)(C)OC6)o1 ZINC000053306394 554334111 /nfs/dbraw/zinc/33/41/11/554334111.db2.gz FZYGBQMCELRWET-UHFFFAOYSA-N 0 0 566.665 4.247 50 5 KIBARN COc1ccc(NC(=O)CSc2nnc3c4sc5nc(N6CCOCC6)c6c(c5c4ncn23)CC(C)(C)OC6)cc1 ZINC000053319371 554337587 /nfs/dbraw/zinc/33/75/87/554337587.db2.gz IMQPZKGIWDFLHF-UHFFFAOYSA-N 0 0 591.719 4.315 50 5 KIBARN Cc1ccc(C)c(N2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3C(=O)Nc3ccccc3F)CC2)c1 ZINC000055526915 554350585 /nfs/dbraw/zinc/35/05/85/554350585.db2.gz YJNWHGZZPQTKHS-UHFFFAOYSA-N 0 0 505.550 4.364 50 5 aggregator KIBARN O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1F ZINC000055529187 554350629 /nfs/dbraw/zinc/35/06/29/554350629.db2.gz HCMHOODKJMABBU-UHFFFAOYSA-N 0 0 511.941 4.400 50 5 aggregator KIBARN O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1cccc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 ZINC000059089726 554372069 /nfs/dbraw/zinc/37/20/69/554372069.db2.gz RBOVWHGJMCMPPK-UHFFFAOYSA-N 0 0 579.580 4.112 50 5 KIBARN O=C(Cc1ccccc1Cl)N1CCN(c2ccc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2)CC1 ZINC000059211794 554385401 /nfs/dbraw/zinc/38/54/01/554385401.db2.gz CGUVUAXTURZTEM-UHFFFAOYSA-N 0 0 564.042 4.228 50 5 KIBARN O=C(NCCc1ccccc1)C1CCC(Cn2c(=O)c3ccccc3n(Cc3cccc([N+](=O)[O-])c3)c2=O)CC1 ZINC000059503704 554399534 /nfs/dbraw/zinc/39/95/34/554399534.db2.gz XXQYSGGPOLALCH-UHFFFAOYSA-N 0 0 540.620 4.285 50 5 KIBARN COc1cc([C@@H]2[C@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(Br)c(C)c2)cc(OC)c1OC ZINC000059503736 554399873 /nfs/dbraw/zinc/39/98/73/554399873.db2.gz UPJNOOQLHFHVHE-PKTZIBPZSA-N 0 0 596.390 4.444 50 5 KIBARN COc1cc([C@H]2[C@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(Br)c(C)c2)cc(OC)c1OC ZINC000059503737 554399898 /nfs/dbraw/zinc/39/98/98/554399898.db2.gz UPJNOOQLHFHVHE-GOTSBHOMSA-N 0 0 596.390 4.444 50 5 KIBARN COc1cc([C@@H]2[C@@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(Br)c(C)c2)cc(OC)c1OC ZINC000059503738 554399917 /nfs/dbraw/zinc/39/99/17/554399917.db2.gz UPJNOOQLHFHVHE-DHIUTWEWSA-N 0 0 596.390 4.444 50 5 KIBARN COc1cc([C@H]2[C@@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(Br)c(C)c2)cc(OC)c1OC ZINC000059503739 554399906 /nfs/dbraw/zinc/39/99/06/554399906.db2.gz UPJNOOQLHFHVHE-XZOQPEGZSA-N 0 0 596.390 4.444 50 5 KIBARN Cc1ccc(CNC(=O)c2ccc(Cn3c(=O)c4ccccc4n(Cc4cccc([N+](=O)[O-])c4)c3=O)cc2)cc1 ZINC000059514065 554401259 /nfs/dbraw/zinc/40/12/59/554401259.db2.gz MQQHZYUDOBYZJY-UHFFFAOYSA-N 0 0 534.572 4.406 50 5 KIBARN O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CCCc2c3cc(OCc4ccccc4)ccc3oc(=O)c21 ZINC000059515012 554401704 /nfs/dbraw/zinc/40/17/04/554401704.db2.gz DJUMBUGAUUCYKT-UHFFFAOYSA-N 0 0 554.603 4.382 50 5 KIBARN O=C(CCn1c(=O)c2cc3c(cc2nc1SCc1ccc([N+](=O)[O-])cc1)OCO3)N1CCN(c2ccccc2)CC1 ZINC000059515061 554402010 /nfs/dbraw/zinc/40/20/10/554402010.db2.gz CCWBUVODEDVWQO-UHFFFAOYSA-N 0 0 573.631 4.065 50 5 KIBARN COc1ccc(CN2CCN(C(=O)c3ccc(S(=O)(=O)c4cccc(Cl)c4)c([N+](=O)[O-])c3)CC2)c(OC)c1OC ZINC000059522437 554403751 /nfs/dbraw/zinc/40/37/51/554403751.db2.gz VZBRLVBZCDKCGX-UHFFFAOYSA-N 0 0 590.054 4.065 50 5 KIBARN COc1ccc(OC)c([C@@H]2[C@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2cc(Cl)ccc2C)c1 ZINC000059524396 554405309 /nfs/dbraw/zinc/40/53/09/554405309.db2.gz BVXTZJVFXNGPQI-PKTZIBPZSA-N 0 0 521.913 4.327 50 5 KIBARN COc1ccc(OC)c([C@H]2[C@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2cc(Cl)ccc2C)c1 ZINC000059524398 554405747 /nfs/dbraw/zinc/40/57/47/554405747.db2.gz BVXTZJVFXNGPQI-GOTSBHOMSA-N 0 0 521.913 4.327 50 5 KIBARN COc1ccc(OC)c([C@@H]2[C@@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2cc(Cl)ccc2C)c1 ZINC000059524399 554405691 /nfs/dbraw/zinc/40/56/91/554405691.db2.gz BVXTZJVFXNGPQI-DHIUTWEWSA-N 0 0 521.913 4.327 50 5 KIBARN COc1ccc(OC)c([C@H]2[C@@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2cc(Cl)ccc2C)c1 ZINC000059524400 554405681 /nfs/dbraw/zinc/40/56/81/554405681.db2.gz BVXTZJVFXNGPQI-XZOQPEGZSA-N 0 0 521.913 4.327 50 5 KIBARN Cc1ccc(Cl)cc1N1CCN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)CC1 ZINC000059586925 554407430 /nfs/dbraw/zinc/40/74/30/554407430.db2.gz IHQPMUOANPSXKQ-UHFFFAOYSA-N 0 0 529.018 4.101 50 5 KIBARN COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000059586959 554407670 /nfs/dbraw/zinc/40/76/70/554407670.db2.gz MHXKGJBCZAMPKT-UHFFFAOYSA-N 0 0 578.603 4.269 50 5 KIBARN COc1ccc(CCNC(=O)CSc2nnc(Cc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1OC ZINC000059587166 554407758 /nfs/dbraw/zinc/40/77/58/554407758.db2.gz SWEQQDCDLJPNLZ-UHFFFAOYSA-N 0 0 533.610 4.235 50 5 KIBARN COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)CN2CCN(c3ccc(Cl)cc3)CC2)cc(OC)c1 ZINC000059587244 554407673 /nfs/dbraw/zinc/40/76/73/554407673.db2.gz GEHXDOGKXFHHNI-UHFFFAOYSA-N 0 0 554.003 4.278 50 5 KIBARN CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000059603543 554409920 /nfs/dbraw/zinc/40/99/20/554409920.db2.gz FBQGEMQYOHGDCM-UHFFFAOYSA-N 0 0 546.536 4.269 50 5 KIBARN O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1Cc1ccccc1)N1CCN(Cc2ccccc2)CC1 ZINC000059608084 554410520 /nfs/dbraw/zinc/41/05/20/554410520.db2.gz RRRHPMKSQOIRRS-UHFFFAOYSA-N 0 0 528.638 4.338 50 5 KIBARN O=C(Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000059608578 554411623 /nfs/dbraw/zinc/41/16/23/554411623.db2.gz OVCHDIZMTBGSGP-UHFFFAOYSA-N 0 0 550.015 4.300 50 5 KIBARN COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-] ZINC000059608589 554411674 /nfs/dbraw/zinc/41/16/74/554411674.db2.gz HOFAEGRCJOJWTK-UHFFFAOYSA-N 0 0 554.028 4.346 50 5 KIBARN O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000059608594 554411670 /nfs/dbraw/zinc/41/16/70/554411670.db2.gz KBAUKXINUJTESY-UHFFFAOYSA-N 0 0 524.002 4.337 50 5 KIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(CCNC(=O)c2ccc(Cl)c(Cl)c2)n1C ZINC000059612037 554412233 /nfs/dbraw/zinc/41/22/33/554412233.db2.gz GFJXAPBWHGWVBP-UHFFFAOYSA-N 0 0 523.402 4.042 50 5 KIBARN O=C(c1cccc(-c2cc3ccccc3oc2=O)c1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 ZINC000059612697 554412951 /nfs/dbraw/zinc/41/29/51/554412951.db2.gz CPEPSYXJXYWFOY-UHFFFAOYSA-N 0 0 540.576 4.167 50 5 KIBARN O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000059626624 554414855 /nfs/dbraw/zinc/41/48/55/554414855.db2.gz NJGIWWYDVWKFCG-UHFFFAOYSA-N 0 0 556.044 4.361 50 5 KIBARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC4C5CC6CC(C5)CC4C6)c3)CC2)cc1 ZINC000059626889 554415202 /nfs/dbraw/zinc/41/52/02/554415202.db2.gz LBUUUKBTGCEBBC-UHFFFAOYSA-N 0 0 553.685 4.301 50 5 KIBARN O=C(Nc1ccc(I)cc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000059626960 554415186 /nfs/dbraw/zinc/41/51/86/554415186.db2.gz FWZNVKCBOXILCN-UHFFFAOYSA-N 0 0 521.233 4.307 50 5 KIBARN O=C(NC(=S)Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000059626995 554415498 /nfs/dbraw/zinc/41/54/98/554415498.db2.gz NHWZGCIUEKAEDH-UHFFFAOYSA-N 0 0 540.001 4.464 50 5 KIBARN COc1ccc(CNc2nc(NCc3ccc(OC)c(OC)c3)n(C(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000059630834 554416342 /nfs/dbraw/zinc/41/63/42/554416342.db2.gz DNDJNYDUOIRAFX-UHFFFAOYSA-N 0 0 548.556 4.133 50 5 KIBARN CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(OCC)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000059645978 554416876 /nfs/dbraw/zinc/41/68/76/554416876.db2.gz CFBJABVFIDZPQA-UHFFFAOYSA-N 0 0 534.038 4.222 50 5 KIBARN COc1ccc(Cl)cc1N(CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000059646800 554417401 /nfs/dbraw/zinc/41/74/01/554417401.db2.gz JBSJIISVKBFWEB-UHFFFAOYSA-N 0 0 600.053 4.197 50 5 KIBARN COc1ccc(CCNC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000059651491 554418569 /nfs/dbraw/zinc/41/85/69/554418569.db2.gz QDVQRYSOCAKIRO-UHFFFAOYSA-N 0 0 548.017 4.128 50 5 KIBARN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000059732094 554427051 /nfs/dbraw/zinc/42/70/51/554427051.db2.gz BZFKHQGTMDOYEG-LJQANCHMSA-N 0 0 554.625 4.274 50 5 KIBARN CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000059732104 554427093 /nfs/dbraw/zinc/42/70/93/554427093.db2.gz BZFKHQGTMDOYEG-IBGZPJMESA-N 0 0 554.625 4.274 50 5 KIBARN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000059738478 554427695 /nfs/dbraw/zinc/42/76/95/554427695.db2.gz TXTCXWZORMHJPL-UHFFFAOYSA-N 0 0 558.616 4.401 50 5 KIBARN Cn1c(SCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000059749638 554427991 /nfs/dbraw/zinc/42/79/91/554427991.db2.gz MGYUMVLHFRZUEK-UHFFFAOYSA-N 0 0 528.638 4.416 50 5 KIBARN COc1ccc(N(CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000059758371 554428188 /nfs/dbraw/zinc/42/81/88/554428188.db2.gz PNFIHDHFFCELJA-UHFFFAOYSA-N 0 0 573.071 4.418 50 5 KIBARN COc1ccc(CCNC(=S)N2CCN(C(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)CC2)cc1OC ZINC000059772072 554428651 /nfs/dbraw/zinc/42/86/51/554428651.db2.gz ZZZGYHFDYAWYOF-UHFFFAOYSA-N 0 0 549.074 4.355 50 5 KIBARN Cc1ccc(Cl)cc1N1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000059775433 554429150 /nfs/dbraw/zinc/42/91/50/554429150.db2.gz YFFHEQCFQVRTFM-UHFFFAOYSA-N 0 0 529.018 4.101 50 5 KIBARN Cc1ccc(Cl)cc1N1CCN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)CC1 ZINC000059775606 554429156 /nfs/dbraw/zinc/42/91/56/554429156.db2.gz WIGLJVKXYMBKFZ-UHFFFAOYSA-N 0 0 529.018 4.101 50 5 KIBARN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(I)cc1 ZINC000059778376 554429380 /nfs/dbraw/zinc/42/93/80/554429380.db2.gz QKJLVFWPBHDUKV-UHFFFAOYSA-N 0 0 537.335 4.033 50 5 KIBARN COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000059780207 554429304 /nfs/dbraw/zinc/42/93/04/554429304.db2.gz HAJSZWXXTOLEAA-UHFFFAOYSA-N 0 0 554.625 4.132 50 5 KIBARN COc1ccc(Cl)cc1N(CC(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000059844813 554448351 /nfs/dbraw/zinc/44/83/51/554448351.db2.gz TVIMLHMICJWWTI-UHFFFAOYSA-N 0 0 559.044 4.109 50 5 KIBARN COc1ccc(Cl)cc1N(CC(=O)N1CCN(c2ccccc2OC)CC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000059844818 554448374 /nfs/dbraw/zinc/44/83/74/554448374.db2.gz DJFPLNXOMUTYKI-UHFFFAOYSA-N 0 0 589.070 4.118 50 5 KIBARN COc1ccc(Cl)cc1N(CC(=O)N1CCc2ccccc2C1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000059844825 554448321 /nfs/dbraw/zinc/44/83/21/554448321.db2.gz FGYUJXOHMIYHLJ-UHFFFAOYSA-N 0 0 530.002 4.345 50 5 KIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(S(=O)(=O)Nc2ccc(I)cc2)c1 ZINC000059857844 554455040 /nfs/dbraw/zinc/45/50/40/554455040.db2.gz PHNJXULYPBIVNR-UHFFFAOYSA-N 0 0 523.308 4.253 50 5 KIBARN COc1ccc(-n2c(CN3CCN(c4cccc(C)c4C)CC3)nc3ccc([N+](=O)[O-])cc3c2=O)c(OC)c1 ZINC000063453772 554508960 /nfs/dbraw/zinc/50/89/60/554508960.db2.gz DZJMYSBCVGKNJF-UHFFFAOYSA-N 0 0 529.597 4.250 50 5 KIBARN COc1ccc(-n2c(CN3CCN(c4cc(C)ccc4C)CC3)nc3ccc([N+](=O)[O-])cc3c2=O)c(OC)c1 ZINC000063453778 554508984 /nfs/dbraw/zinc/50/89/84/554508984.db2.gz YMMMUVPWXHNALB-UHFFFAOYSA-N 0 0 529.597 4.250 50 5 KIBARN COc1ccc(-n2c(CN3CCN(c4ccc(C)cc4)[C@@H](C)C3)nc3ccc([N+](=O)[O-])cc3c2=O)c(OC)c1 ZINC000063453796 554508935 /nfs/dbraw/zinc/50/89/35/554508935.db2.gz RCMYORKYIHADAV-FQEVSTJZSA-N 0 0 529.597 4.330 50 5 KIBARN COc1cc([C@@H]2OC(c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)=NN2C(C)=O)cc(OC)c1OC ZINC000064819808 554517771 /nfs/dbraw/zinc/51/77/71/554517771.db2.gz QKWZJYUNYNZKJJ-SANMLTNESA-N 0 0 520.498 4.112 50 5 KIBARN COc1cc([C@H]2OC(c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)=NN2C(C)=O)cc(OC)c1OC ZINC000064819809 554517677 /nfs/dbraw/zinc/51/76/77/554517677.db2.gz QKWZJYUNYNZKJJ-AREMUKBSSA-N 0 0 520.498 4.112 50 5 KIBARN O=[N+]([O-])c1ccc(C(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000068576591 553591202 /nfs/dbraw/zinc/59/12/02/553591202.db2.gz OLARKHXGKLRWHE-UHFFFAOYSA-N 0 0 514.319 4.316 50 5 KIBARN CC(=O)Nc1ccc(OCCOC(=O)C2=C(C)NC(C)=C(C(=O)OC(C)C)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000072986157 553651938 /nfs/dbraw/zinc/65/19/38/553651938.db2.gz NNAJDHNUKIQDHF-AREMUKBSSA-N 0 0 537.569 4.362 50 5 KIBARN O=C1c2cccc3cc([N+](=O)[O-])cc(c32)C(=O)N1CCCN1CCN(CCCN2C(=O)c3cccc4cc([N+](=O)[O-])cc(c43)C2=O)CC1 ZINC000082170849 553674146 /nfs/dbraw/zinc/67/41/46/553674146.db2.gz OYNMPOBOWPMEKI-UHFFFAOYSA-N 0 0 650.648 4.099 50 5 KIBARN CCCN(CCC)S(=O)(=O)c1cc2c(c([N+](=O)[O-])c1)-c1c(cc(S(=O)(=O)N(CCC)CCC)cc1[N+](=O)[O-])C2=O ZINC000095742916 553712710 /nfs/dbraw/zinc/71/27/10/553712710.db2.gz GOACDTZJSUGHSH-UHFFFAOYSA-N 0 0 596.684 4.336 50 5 KIBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)Nc2ccc(F)cc2)nn1CC ZINC000096203556 553727782 /nfs/dbraw/zinc/72/77/82/553727782.db2.gz AMGUZDMNVLYCSM-CQSZACIVSA-N 0 0 519.555 4.380 50 5 KIBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)Nc2ccc(F)cc2)nn1CC ZINC000096203557 553727743 /nfs/dbraw/zinc/72/77/43/553727743.db2.gz AMGUZDMNVLYCSM-AWEZNQCLSA-N 0 0 519.555 4.380 50 5 KIBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2ccco2)nn1C(C)C ZINC000096203585 553727786 /nfs/dbraw/zinc/72/77/86/553727786.db2.gz VNUJVTXFGQFDOJ-OAHLLOKOSA-N 0 0 519.580 4.073 50 5 KIBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2ccco2)nn1C(C)C ZINC000096203586 553727789 /nfs/dbraw/zinc/72/77/89/553727789.db2.gz VNUJVTXFGQFDOJ-HNNXBMFYSA-N 0 0 519.580 4.073 50 5 KIBARN Cc1c(C(=O)NC2CC2)nn(-c2ccc(C)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)C ZINC000096203613 553727823 /nfs/dbraw/zinc/72/78/23/553727823.db2.gz WIGVTNRQLIDHIW-UHFFFAOYSA-N 0 0 527.603 4.016 50 5 KIBARN Cc1c(C(=O)N2CCCC2)nn(-c2ccc(C)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)C ZINC000096203614 553727755 /nfs/dbraw/zinc/72/77/55/553727755.db2.gz RXSCYYLPUMVLTH-UHFFFAOYSA-N 0 0 527.603 4.112 50 5 KIBARN CC[C@@H](C)NC(=O)c1nn(-c2ccc(C)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(C)C)c1C ZINC000096203615 553727821 /nfs/dbraw/zinc/72/78/21/553727821.db2.gz NZFBKYFKUHGPGM-QGZVFWFLSA-N 0 0 529.619 4.405 50 5 KIBARN CC[C@H](C)NC(=O)c1nn(-c2ccc(C)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(C)C)c1C ZINC000096203616 553728013 /nfs/dbraw/zinc/72/80/13/553728013.db2.gz NZFBKYFKUHGPGM-KRWDZBQOSA-N 0 0 529.619 4.405 50 5 KIBARN Cc1c(C(=O)NC(C)C)nn(-c2ccc(C)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000096203618 553728050 /nfs/dbraw/zinc/72/80/50/553728050.db2.gz OMYZHVGVEHFISZ-UHFFFAOYSA-N 0 0 527.603 4.112 50 5 KIBARN Cc1c(C(=O)NCC(C)C)nn(-c2ccc(C)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC1 ZINC000096203619 553728060 /nfs/dbraw/zinc/72/80/60/553728060.db2.gz VMXBAKSVHJHCAW-UHFFFAOYSA-N 0 0 527.603 4.016 50 5 KIBARN CC[C@@H](C)NC(=O)c1nn(-c2ccc(C)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC2CC2)c1C ZINC000096203621 553728131 /nfs/dbraw/zinc/72/81/31/553728131.db2.gz IJODHFAVGZGEFL-MRXNPFEDSA-N 0 0 527.603 4.159 50 5 KIBARN CC[C@H](C)NC(=O)c1nn(-c2ccc(C)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC2CC2)c1C ZINC000096203622 553728094 /nfs/dbraw/zinc/72/80/94/553728094.db2.gz IJODHFAVGZGEFL-INIZCTEOSA-N 0 0 527.603 4.159 50 5 KIBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCC(C)C)nn1C(C)(C)C ZINC000096203632 553728110 /nfs/dbraw/zinc/72/81/10/553728110.db2.gz PSKPIGYPQMRSHK-OAHLLOKOSA-N 0 0 509.629 4.110 50 5 KIBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCC(C)C)nn1C(C)(C)C ZINC000096203633 553728020 /nfs/dbraw/zinc/72/80/20/553728020.db2.gz PSKPIGYPQMRSHK-HNNXBMFYSA-N 0 0 509.629 4.110 50 5 KIBARN CC[C@@H](C)NC(=O)c1nn(C(C)(C)C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N[C@@H](C)CC)c1C ZINC000096203640 553728100 /nfs/dbraw/zinc/72/81/00/553728100.db2.gz LWMYYHJYUBFBLE-CABCVRRESA-N 0 0 509.629 4.252 50 5 KIBARN CC[C@H](C)NC(=O)c1nn(C(C)(C)C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N[C@@H](C)CC)c1C ZINC000096203641 553728043 /nfs/dbraw/zinc/72/80/43/553728043.db2.gz LWMYYHJYUBFBLE-GJZGRUSLSA-N 0 0 509.629 4.252 50 5 KIBARN CC[C@@H](C)NC(=O)c1nn(C(C)(C)C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N[C@H](C)CC)c1C ZINC000096203642 553728028 /nfs/dbraw/zinc/72/80/28/553728028.db2.gz LWMYYHJYUBFBLE-HUUCEWRRSA-N 0 0 509.629 4.252 50 5 KIBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N[C@@H](C)CC)nn1C(C)(C)C ZINC000096203643 553728004 /nfs/dbraw/zinc/72/80/04/553728004.db2.gz LWMYYHJYUBFBLE-LSDHHAIUSA-N 0 0 509.629 4.252 50 5 KIBARN CCCN(C)C(=O)c1nn(C(C)(C)C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N[C@@H](C)CC)c1C ZINC000096203646 553728125 /nfs/dbraw/zinc/72/81/25/553728125.db2.gz KJRSADZSLFZNMO-HNNXBMFYSA-N 0 0 509.629 4.206 50 5 KIBARN CCCN(C)C(=O)c1nn(C(C)(C)C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N[C@H](C)CC)c1C ZINC000096203647 553727983 /nfs/dbraw/zinc/72/79/83/553727983.db2.gz KJRSADZSLFZNMO-OAHLLOKOSA-N 0 0 509.629 4.206 50 5 KIBARN Cc1c(C(=O)NCC(C)C)nn(C(C)(C)C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000096203657 553728355 /nfs/dbraw/zinc/72/83/55/553728355.db2.gz QZBZCIYFDOAVHZ-UHFFFAOYSA-N 0 0 509.629 4.110 50 5 KIBARN CC[C@@H](C)NC(=O)c1nn(C(C)(C)C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(C)(C)C)c1C ZINC000096203662 553728370 /nfs/dbraw/zinc/72/83/70/553728370.db2.gz OIQMWRBBZNOPMV-CQSZACIVSA-N 0 0 509.629 4.252 50 5 KIBARN CC[C@H](C)NC(=O)c1nn(C(C)(C)C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(C)(C)C)c1C ZINC000096203663 553728328 /nfs/dbraw/zinc/72/83/28/553728328.db2.gz OIQMWRBBZNOPMV-AWEZNQCLSA-N 0 0 509.629 4.252 50 5 KIBARN CCCN(C)C(=O)c1nn(C(C)(C)C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(C)(C)C)c1C ZINC000096203665 553728300 /nfs/dbraw/zinc/72/83/00/553728300.db2.gz ABKFIJBDRSNRHI-UHFFFAOYSA-N 0 0 509.629 4.206 50 5 KIBARN Cc1c(C(=O)NCC(C)C)nn(-c2ccccc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)C ZINC000096203679 553728359 /nfs/dbraw/zinc/72/83/59/553728359.db2.gz JGJAPHLKICLUCD-UHFFFAOYSA-N 0 0 529.619 4.201 50 5 KIBARN CCCN(C)C(=O)c1nn(-c2ccccc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N[C@@H](C)CC)c1C ZINC000096203686 553728291 /nfs/dbraw/zinc/72/82/91/553728291.db2.gz GUEZCXADJSEANK-KRWDZBQOSA-N 0 0 529.619 4.440 50 5 KIBARN CCCN(C)C(=O)c1nn(-c2ccccc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N[C@H](C)CC)c1C ZINC000096203687 553728332 /nfs/dbraw/zinc/72/83/32/553728332.db2.gz GUEZCXADJSEANK-QGZVFWFLSA-N 0 0 529.619 4.440 50 5 KIBARN CC[C@@H](C)NC(=O)c1nn(-c2ccccc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)c1C ZINC000096203690 553728326 /nfs/dbraw/zinc/72/83/26/553728326.db2.gz FJEDFJOMJYKRJI-QGZVFWFLSA-N 0 0 527.603 4.194 50 5 KIBARN CC[C@H](C)NC(=O)c1nn(-c2ccccc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)c1C ZINC000096203691 553728380 /nfs/dbraw/zinc/72/83/80/553728380.db2.gz FJEDFJOMJYKRJI-KRWDZBQOSA-N 0 0 527.603 4.194 50 5 KIBARN Cc1c(C(=O)N2CCCC2)nn(-c2ccccc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000096203695 553728309 /nfs/dbraw/zinc/72/83/09/553728309.db2.gz IBBCDXWCRYWDCP-UHFFFAOYSA-N 0 0 527.603 4.194 50 5 KIBARN CC[C@@H](C)NC(=O)c1nn(-c2ccccc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(C)(C)C)c1C ZINC000096203697 553728362 /nfs/dbraw/zinc/72/83/62/553728362.db2.gz AUPAYIYTPCQNQU-MRXNPFEDSA-N 0 0 529.619 4.486 50 5 KIBARN CC[C@H](C)NC(=O)c1nn(-c2ccccc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(C)(C)C)c1C ZINC000096203698 553728348 /nfs/dbraw/zinc/72/83/48/553728348.db2.gz AUPAYIYTPCQNQU-INIZCTEOSA-N 0 0 529.619 4.486 50 5 KIBARN CCCNC(=O)c1nn(-c2ccccc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(C)(C)C)c1C ZINC000096203832 553728657 /nfs/dbraw/zinc/72/86/57/553728657.db2.gz JQHHBJRLZXTTDJ-UHFFFAOYSA-N 0 0 515.592 4.098 50 5 KIBARN Cc1c(C(=O)NC(C)C)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC1 ZINC000096203833 553728637 /nfs/dbraw/zinc/72/86/37/553728637.db2.gz JHRLMTKTXIPYCB-UHFFFAOYSA-N 0 0 527.603 4.077 50 5 KIBARN Cc1c(C(=O)NC(C)C)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)C ZINC000096203835 553728624 /nfs/dbraw/zinc/72/86/24/553728624.db2.gz XPZNMFLBEMHIPT-UHFFFAOYSA-N 0 0 529.619 4.323 50 5 KIBARN Cc1c(C(=O)NC2CC2)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)C ZINC000096203836 553728695 /nfs/dbraw/zinc/72/86/95/553728695.db2.gz FYAOAZQSSFPRJP-UHFFFAOYSA-N 0 0 527.603 4.077 50 5 KIBARN CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC(C)C)nn1-c1cccc(C)c1C ZINC000096203837 553728608 /nfs/dbraw/zinc/72/86/08/553728608.db2.gz FWTSKXOYNXCFAT-UHFFFAOYSA-N 0 0 529.619 4.325 50 5 KIBARN CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC2CC2)nn1-c1cccc(C)c1C ZINC000096203838 553728677 /nfs/dbraw/zinc/72/86/77/553728677.db2.gz MYUOQQPVVLCNDD-UHFFFAOYSA-N 0 0 527.603 4.079 50 5 KIBARN Cc1c(C(=O)NC2CC2)nn(-c2cccc(C)c2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)C ZINC000096203839 553728685 /nfs/dbraw/zinc/72/86/85/553728685.db2.gz VWUQJBIQFNGSDL-UHFFFAOYSA-N 0 0 527.603 4.077 50 5 KIBARN CCCNC(=O)c1nn(-c2cc(C)ccc2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC2CC2)c1C ZINC000096203840 553728612 /nfs/dbraw/zinc/72/86/12/553728612.db2.gz HXXHCRMOJZNQIA-UHFFFAOYSA-N 0 0 527.603 4.079 50 5 KIBARN CCCNC(=O)c1nn(-c2cc(C)ccc2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NCCC)c1C ZINC000096203841 553728699 /nfs/dbraw/zinc/72/86/99/553728699.db2.gz ADYDTKXGTCJQHP-UHFFFAOYSA-N 0 0 529.619 4.326 50 5 KIBARN CCCNC(=O)c1nn(-c2cc(C)ccc2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(C)C)c1C ZINC000096203842 553728615 /nfs/dbraw/zinc/72/86/15/553728615.db2.gz LTOGLBXMDJBYQN-UHFFFAOYSA-N 0 0 529.619 4.325 50 5 KIBARN CCCNC(=O)c1nn(-c2cccc(C)c2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NCCC)c1C ZINC000096203843 553728681 /nfs/dbraw/zinc/72/86/81/553728681.db2.gz HSUPTNSQECHELY-UHFFFAOYSA-N 0 0 529.619 4.326 50 5 KIBARN CCCNC(=O)c1nn(-c2ccc(C)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NCC(C)C)c1C ZINC000096203848 553728603 /nfs/dbraw/zinc/72/86/03/553728603.db2.gz VECKJVQCHVBEMN-UHFFFAOYSA-N 0 0 529.619 4.264 50 5 KIBARN COc1cc(-c2noc(CCN(Cc3ccco3)C(=O)c3cccc([N+](=O)[O-])c3)n2)cc(OC)c1OC ZINC000096277884 553734599 /nfs/dbraw/zinc/73/45/99/553734599.db2.gz VTRYZWKSAFDAPK-UHFFFAOYSA-N 0 0 508.487 4.149 50 5 KIBARN CCn1nc(C(=O)Nc2cccc(C)c2)c(C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000096278824 553735393 /nfs/dbraw/zinc/73/53/93/553735393.db2.gz PZMXUURLRWRQPU-UHFFFAOYSA-N 0 0 513.576 4.257 50 5 KIBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC2CC2)nn1-c1ccc(C)cc1 ZINC000096278825 553735421 /nfs/dbraw/zinc/73/54/21/553735421.db2.gz KWARNTGJTWRYGC-MRXNPFEDSA-N 0 0 527.603 4.159 50 5 KIBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC2CC2)nn1-c1ccc(C)cc1 ZINC000096278826 553735397 /nfs/dbraw/zinc/73/53/97/553735397.db2.gz KWARNTGJTWRYGC-INIZCTEOSA-N 0 0 527.603 4.159 50 5 KIBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC(C)C)nn1-c1ccc(C)cc1 ZINC000096278842 553735382 /nfs/dbraw/zinc/73/53/82/553735382.db2.gz BYXCGTNSMLPKQL-QGZVFWFLSA-N 0 0 529.619 4.405 50 5 KIBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC(C)C)nn1-c1ccc(C)cc1 ZINC000096278843 553735390 /nfs/dbraw/zinc/73/53/90/553735390.db2.gz BYXCGTNSMLPKQL-KRWDZBQOSA-N 0 0 529.619 4.405 50 5 KIBARN CCCNC(=O)c1nn(-c2ccc(C)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N[C@@H](C)CC)c1C ZINC000096279177 553736036 /nfs/dbraw/zinc/73/60/36/553736036.db2.gz ALSNHPZMZVAPGD-KRWDZBQOSA-N 0 0 529.619 4.406 50 5 KIBARN CCCNC(=O)c1nn(-c2ccc(C)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N[C@H](C)CC)c1C ZINC000096279178 553736053 /nfs/dbraw/zinc/73/60/53/553736053.db2.gz ALSNHPZMZVAPGD-QGZVFWFLSA-N 0 0 529.619 4.406 50 5 KIBARN O=c1c2c(ncn2Cc2cccc([N+](=O)[O-])c2)n(-c2ccc(Cl)cc2)c(=O)n1CCc1ccccc1 ZINC000096281323 553737493 /nfs/dbraw/zinc/73/74/93/553737493.db2.gz PHUHDXWOBGJXDY-UHFFFAOYSA-N 0 0 501.930 4.202 50 5 KIBARN O=c1c2c(ncn2Cc2ccc([N+](=O)[O-])cc2)n(-c2ccc(Cl)cc2)c(=O)n1Cc1ccc(F)cc1 ZINC000096281324 553737484 /nfs/dbraw/zinc/73/74/84/553737484.db2.gz JKAXYFBXAMTHML-UHFFFAOYSA-N 0 0 505.893 4.146 50 5 KIBARN COCCn1c(SCc2ccc(C(=O)NCc3ccncc3)cc2)nnc1-c1ccccc1[N+](=O)[O-] ZINC000096288168 553739256 /nfs/dbraw/zinc/73/92/56/553739256.db2.gz QASMSQMJXQFURT-UHFFFAOYSA-N 0 0 504.572 4.117 50 5 KIBARN CCCNC(=O)c1nn(-c2cccc(C)c2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC2CC2)c1C ZINC000096291869 553745373 /nfs/dbraw/zinc/74/53/73/553745373.db2.gz LDTYOHIRSSGLBM-UHFFFAOYSA-N 0 0 527.603 4.079 50 5 KIBARN Cc1c(C(=O)NC(C)C)nn(-c2cccc(C)c2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC1 ZINC000096291887 553745367 /nfs/dbraw/zinc/74/53/67/553745367.db2.gz QFYYPRQSGMZSMS-UHFFFAOYSA-N 0 0 527.603 4.077 50 5 KIBARN CCS(=O)(=O)N1CCN(Cc2c(-c3cccc([N+](=O)[O-])c3)nc3ccc(-c4cccc(C)c4)cn32)CC1 ZINC000096293930 553747259 /nfs/dbraw/zinc/74/72/59/553747259.db2.gz PLVAQLVSRNAYPP-UHFFFAOYSA-N 0 0 519.627 4.352 50 5 KIBARN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000096297356 553748348 /nfs/dbraw/zinc/74/83/48/553748348.db2.gz LAWHJOWCNVZMAM-ZLNRFVROSA-N 0 0 509.902 4.317 50 5 KIBARN Cc1cccn2c(=O)c3cc(C(=O)N4CCN(c5ccc(C(F)(F)F)cc5[N+](=O)[O-])CC4)sc3nc12 ZINC000096347317 553752885 /nfs/dbraw/zinc/75/28/85/553752885.db2.gz BEWHFKGGDQDODV-UHFFFAOYSA-N 0 0 517.489 4.107 50 5 KIBARN Cc1nn(CCc2nnc(SCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)n2C)c(C)c1[N+](=O)[O-] ZINC000097945265 553770821 /nfs/dbraw/zinc/77/08/21/553770821.db2.gz VYCIKCRDWOJCRE-UHFFFAOYSA-N 0 0 518.814 4.470 50 5 KIBARN Cc1ccc(C(=O)COC(=O)c2ccc(NC(=O)CCC(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000097945593 553773377 /nfs/dbraw/zinc/77/33/77/553773377.db2.gz WGYKFEOVXTYSNK-UHFFFAOYSA-N 0 0 532.505 4.088 50 5 KIBARN Cc1ccc(C(=O)COC(=O)c2ccc(NC(=O)CCC(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000097945594 553773351 /nfs/dbraw/zinc/77/33/51/553773351.db2.gz MGFKXDWWZLWCIT-UHFFFAOYSA-N 0 0 532.505 4.088 50 5 KIBARN C[C@H](OC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)c1ccccc1 ZINC000097945595 553773306 /nfs/dbraw/zinc/77/33/06/553773306.db2.gz FBIUMNSNBDXFTQ-SFHVURJKSA-N 0 0 532.505 4.168 50 5 KIBARN C[C@@H](OC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)c1ccccc1 ZINC000097945596 553773321 /nfs/dbraw/zinc/77/33/21/553773321.db2.gz FBIUMNSNBDXFTQ-GOSISDBHSA-N 0 0 532.505 4.168 50 5 KIBARN O=C(CCCC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(C(=O)OCC(=O)c2ccccc2)cc1 ZINC000097945597 553773327 /nfs/dbraw/zinc/77/33/27/553773327.db2.gz AAABVAIOPBBVOS-UHFFFAOYSA-N 0 0 532.505 4.169 50 5 KIBARN O=C(CCCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)OCC(=O)c2ccccc2)cc1 ZINC000097945598 553773356 /nfs/dbraw/zinc/77/33/56/553773356.db2.gz PIFQSKXJINKSPC-UHFFFAOYSA-N 0 0 532.505 4.169 50 5 KIBARN C[C@H](OC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)c1ccccc1 ZINC000097945599 553773315 /nfs/dbraw/zinc/77/33/15/553773315.db2.gz CCGMTWCCAVTJKJ-SFHVURJKSA-N 0 0 532.505 4.168 50 5 KIBARN C[C@@H](OC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)c1ccccc1 ZINC000097945600 553773309 /nfs/dbraw/zinc/77/33/09/553773309.db2.gz CCGMTWCCAVTJKJ-GOSISDBHSA-N 0 0 532.505 4.168 50 5 KIBARN Cc1ccc(C(=O)COC(=O)CCC(=O)Nc2ccc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000097945601 553773312 /nfs/dbraw/zinc/77/33/12/553773312.db2.gz NXGKSJWUQMFJNU-UHFFFAOYSA-N 0 0 532.505 4.088 50 5 KIBARN O=C(CCCC(=O)OCC(=O)c1ccccc1)Nc1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000097945602 553773344 /nfs/dbraw/zinc/77/33/44/553773344.db2.gz XCPRUMIYFPUGCJ-UHFFFAOYSA-N 0 0 532.505 4.169 50 5 KIBARN CCn1c(CCn2nc(C)c(Br)c2C)nnc1SCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000097947824 553788884 /nfs/dbraw/zinc/78/88/84/553788884.db2.gz KPDPZXIFIOZFDM-UHFFFAOYSA-N 0 0 542.847 4.409 50 5 KIBARN Cc1ccc(C(=O)COC(=O)c2ccc(NC(=O)CCCC(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000097947930 553789753 /nfs/dbraw/zinc/78/97/53/553789753.db2.gz VDYVZSVRYYGQOF-UHFFFAOYSA-N 0 0 546.532 4.478 50 5 KIBARN Cc1ccc(C(=O)COC(=O)CCCC(=O)Nc2ccc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000097947933 553790046 /nfs/dbraw/zinc/79/00/46/553790046.db2.gz MBBBLYHNWAVQCJ-UHFFFAOYSA-N 0 0 546.532 4.478 50 5 KIBARN Cc1ccc(C(=O)COC(=O)c2ccc(NC(=O)CCCC(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000097947934 553790062 /nfs/dbraw/zinc/79/00/62/553790062.db2.gz JEHOKTJMIGWGQG-UHFFFAOYSA-N 0 0 546.532 4.478 50 5 KIBARN Cc1ccc(C(=O)COC(=O)CCC(=O)Nc2ccc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1C ZINC000097947935 553789969 /nfs/dbraw/zinc/78/99/69/553789969.db2.gz QNANEQCGLPRNMQ-UHFFFAOYSA-N 0 0 546.532 4.396 50 5 KIBARN Cc1ccc(C(=O)[C@@H](C)OC(=O)CCC(=O)Nc2ccc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000097947938 553790070 /nfs/dbraw/zinc/79/00/70/553790070.db2.gz JZJUYSLWTASBFP-LJQANCHMSA-N 0 0 546.532 4.476 50 5 KIBARN Cc1ccc(C(=O)[C@H](C)OC(=O)CCC(=O)Nc2ccc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000097947939 553790055 /nfs/dbraw/zinc/79/00/55/553790055.db2.gz JZJUYSLWTASBFP-IBGZPJMESA-N 0 0 546.532 4.476 50 5 KIBARN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)c1 ZINC000097947944 553789966 /nfs/dbraw/zinc/78/99/66/553789966.db2.gz DTWFGFREYQVOBS-UHFFFAOYSA-N 0 0 546.580 4.385 50 5 KIBARN O=C(CCCC(=O)OCC(=O)c1ccc(F)cc1)Nc1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000097948047 553790815 /nfs/dbraw/zinc/79/08/15/553790815.db2.gz SQJYCNOWAILMIC-UHFFFAOYSA-N 0 0 550.495 4.309 50 5 KIBARN O=C(CCC(=O)OCC(=O)c1ccc(Cl)cc1)Nc1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000097948116 553791280 /nfs/dbraw/zinc/79/12/80/553791280.db2.gz YNZFMYWZMZWLOM-UHFFFAOYSA-N 0 0 552.923 4.433 50 5 KIBARN COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000097948212 553792059 /nfs/dbraw/zinc/79/20/59/553792059.db2.gz POKFFPCXYPVSGE-UHFFFAOYSA-N 0 0 557.607 4.196 50 5 KIBARN COc1ccc(C(=O)COC(=O)CCCC(=O)Nc2ccc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000097948300 553792832 /nfs/dbraw/zinc/79/28/32/553792832.db2.gz NANAFGLCHWKUCN-UHFFFAOYSA-N 0 0 562.531 4.178 50 5 KIBARN COc1ccc(C(=O)COC(=O)c2ccc(NC(=O)CCCC(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000097948301 553792878 /nfs/dbraw/zinc/79/28/78/553792878.db2.gz XTCYEAIHRAXBAO-UHFFFAOYSA-N 0 0 562.531 4.178 50 5 KIBARN COc1cccc(C(=O)COC(=O)CCCC(=O)Nc2ccc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000097948302 553792884 /nfs/dbraw/zinc/79/28/84/553792884.db2.gz BCXATAWXUNTPTO-UHFFFAOYSA-N 0 0 562.531 4.178 50 5 KIBARN COc1ccc(C(=O)COC(=O)c2ccc(NC(=O)CCCC(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000097948303 553792834 /nfs/dbraw/zinc/79/28/34/553792834.db2.gz CGMVAYZDHPJXMT-UHFFFAOYSA-N 0 0 562.531 4.178 50 5 KIBARN COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3)N(CCCn3nc(C)c([N+](=O)[O-])c3C)C2=S)cc1 ZINC000097948448 553793866 /nfs/dbraw/zinc/79/38/66/553793866.db2.gz GCXMOYZWRVMPIM-JOCHJYFZSA-N 0 0 571.059 4.491 50 5 KIBARN COc1ccc(N2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3)N(CCCn3nc(C)c([N+](=O)[O-])c3C)C2=S)cc1 ZINC000097948449 553793880 /nfs/dbraw/zinc/79/38/80/553793880.db2.gz GCXMOYZWRVMPIM-QFIPXVFZSA-N 0 0 571.059 4.491 50 5 KIBARN Cc1cccc(NC(=O)Cc2nnc3c4sc5nc(N6CCOCC6)c6c(c5c4ncn23)CC(C)(C)OC6)c1 ZINC000097952630 553817430 /nfs/dbraw/zinc/81/74/30/553817430.db2.gz XMYLEPKYKGJYNK-UHFFFAOYSA-N 0 0 543.653 4.065 50 5 KIBARN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000097954174 553821979 /nfs/dbraw/zinc/82/19/79/553821979.db2.gz FYPNFKXDECGYAK-BDTNDASRSA-N 0 0 540.326 4.123 50 5 KIBARN COc1ccc(C(=O)C2=C3C(O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1OC ZINC000097954395 553822894 /nfs/dbraw/zinc/82/28/94/553822894.db2.gz YAFODCKYICSUMH-QUMGSSFMSA-N 0 0 525.517 4.010 50 5 KIBARN COc1ccc(C(=O)C2=C3C(O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3[C@@H]3c4ccccc4C=CN23)cc1OC ZINC000097954396 553822914 /nfs/dbraw/zinc/82/29/14/553822914.db2.gz YAFODCKYICSUMH-QYOOZWMWSA-N 0 0 525.517 4.010 50 5 KIBARN O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCCN2[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000097954534 553823819 /nfs/dbraw/zinc/82/38/19/553823819.db2.gz RPTKCNLFCBXWBF-ZGZOUGAKSA-N 0 0 528.952 4.263 50 5 KIBARN O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@]2(C(=O)Nc3ccccc32)[C@H]2CCCN2[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000097954536 553823810 /nfs/dbraw/zinc/82/38/10/553823810.db2.gz RPTKCNLFCBXWBF-SAYRZEODSA-N 0 0 528.952 4.263 50 5 KIBARN CCc1nc2c(c3nc4ccccc4nc3n2Cc2ccc3c(c2)OCO3)c(=O)n1Cc1ccc2c(c1)OCO2 ZINC000097954560 553824192 /nfs/dbraw/zinc/82/41/92/553824192.db2.gz PBOMKQMDNGXEAN-UHFFFAOYSA-N 0 0 533.544 4.411 50 5 KIBARN COc1ccc(Br)cc1[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000097954900 553826434 /nfs/dbraw/zinc/82/64/34/553826434.db2.gz HNVLDXYMDUHYGF-BDTNDASRSA-N 0 0 524.327 4.417 50 5 KIBARN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc(Br)c1O ZINC000097954929 553826655 /nfs/dbraw/zinc/82/66/55/553826655.db2.gz XFVBHBUBBGWURV-VWPQPMDRSA-N 0 0 540.326 4.123 50 5 KIBARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000097955080 553828417 /nfs/dbraw/zinc/82/84/17/553828417.db2.gz JKHDSYGWXDPJOK-IMSXRSKXSA-N 0 0 539.928 4.325 50 5 KIBARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000097955106 553828830 /nfs/dbraw/zinc/82/88/30/553828830.db2.gz UFSNNNOBEIVFME-IMSXRSKXSA-N 0 0 539.928 4.325 50 5 KIBARN COC[C@H](C)OC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1cc(I)ccc12 ZINC000097955266 553830550 /nfs/dbraw/zinc/83/05/50/553830550.db2.gz PHYALAIBTDBNQD-NSHDSACASA-N 0 0 528.306 4.086 50 5 KIBARN COC[C@@H](C)OC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1cc(I)ccc12 ZINC000097955267 553830555 /nfs/dbraw/zinc/83/05/55/553830555.db2.gz PHYALAIBTDBNQD-LLVKDONJSA-N 0 0 528.306 4.086 50 5 KIBARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1Br ZINC000097955279 553830574 /nfs/dbraw/zinc/83/05/74/553830574.db2.gz SITBJMVEILNJBS-BDTNDASRSA-N 0 0 524.327 4.417 50 5 KIBARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000097965317 553904154 /nfs/dbraw/zinc/90/41/54/553904154.db2.gz UCOUJHRGISDYHS-MZFJOGFUSA-N 0 0 538.404 4.142 50 5 KIBARN CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccc(F)cc3)[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000097969687 553943782 /nfs/dbraw/zinc/94/37/82/553943782.db2.gz DYICMPAIOITQJM-QHCPKHFHSA-N 0 0 532.575 4.036 50 5 KIBARN CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccc(F)cc3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000097969688 553943815 /nfs/dbraw/zinc/94/38/15/553943815.db2.gz DYICMPAIOITQJM-HSZRJFAPSA-N 0 0 532.575 4.036 50 5 KIBARN O=C(C[C@H]1C(=O)N(c2ccccc2)C(=S)N1CCNc1ccc([N+](=O)[O-])cn1)Nc1ccc(Cl)cc1 ZINC000097969695 553943779 /nfs/dbraw/zinc/94/37/79/553943779.db2.gz ZWMOMANSTRUWBS-FQEVSTJZSA-N 0 0 524.990 4.086 50 5 KIBARN O=C(C[C@@H]1C(=O)N(c2ccccc2)C(=S)N1CCNc1ccc([N+](=O)[O-])cn1)Nc1ccc(Cl)cc1 ZINC000097969696 553943812 /nfs/dbraw/zinc/94/38/12/553943812.db2.gz ZWMOMANSTRUWBS-HXUWFJFHSA-N 0 0 524.990 4.086 50 5 KIBARN O=[N+]([O-])c1ccc(S(=O)(=O)N(c2ccc(C(F)(F)F)cc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000097972944 553967722 /nfs/dbraw/zinc/96/77/22/553967722.db2.gz IQWQJKHHWHZBEO-UHFFFAOYSA-N 0 0 531.446 4.106 50 5 KIBARN NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2c3ccccc3nc3c2CCC/C3=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000097979011 553975562 /nfs/dbraw/zinc/97/55/62/553975562.db2.gz JQEYPKPGJNIZBE-MNDPQUGUSA-N 0 0 572.599 4.463 50 5 KIBARN NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2c3ccccc3nc3c2CCC/C3=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000097979603 553980858 /nfs/dbraw/zinc/98/08/58/553980858.db2.gz LEDJZAJLKPVEBK-CYVLTUHYSA-N 0 0 572.599 4.463 50 5 KIBARN COc1cc(/C=C2/SC(=O)N(CCNC(=O)c3ccc(N4CCCCCC4)c([N+](=O)[O-])c3)C2=O)cc(OC)c1OC ZINC000097980220 553986518 /nfs/dbraw/zinc/98/65/18/553986518.db2.gz VKRZLVYDBSKFRX-LFVJCYFKSA-N 0 0 584.651 4.467 50 5 KIBARN COc1ccc(CNC(=S)NNc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[N+](=O)[O-])cc1 ZINC000097981356 553993256 /nfs/dbraw/zinc/99/32/56/553993256.db2.gz AZVKSMBBHAAPFJ-UHFFFAOYSA-N 0 0 522.008 4.049 50 5 KIBARN CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)NC(=S)N1 ZINC000097981660 553996295 /nfs/dbraw/zinc/99/62/95/553996295.db2.gz MXHVPFQYPLKPTP-FQEVSTJZSA-N 0 0 527.653 4.007 50 5 KIBARN CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)NC(=S)N1 ZINC000097981661 553996343 /nfs/dbraw/zinc/99/63/43/553996343.db2.gz MXHVPFQYPLKPTP-HXUWFJFHSA-N 0 0 527.653 4.007 50 5 KIBARN Cc1c(C(=O)NC(=S)Nc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2O)cccc1[N+](=O)[O-] ZINC000097982373 554001511 /nfs/dbraw/zinc/00/15/11/554001511.db2.gz UYXWLSLKCAMQKN-UHFFFAOYSA-N 0 0 520.976 4.190 50 5 KIBARN O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1c(Br)cc([N+](=O)[O-])cc1Br ZINC000097982419 554002160 /nfs/dbraw/zinc/00/21/60/554002160.db2.gz VEJPIERUHXPEML-UHFFFAOYSA-N 0 0 541.177 4.420 50 5 KIBARN CCCN(C(=O)COC(=O)c1c2ccccc2cc2ccccc21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000097982431 554002223 /nfs/dbraw/zinc/00/22/23/554002223.db2.gz NMHHVVTWFWVOSL-UHFFFAOYSA-N 0 0 536.588 4.074 50 5 KIBARN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000097982570 554003454 /nfs/dbraw/zinc/00/34/54/554003454.db2.gz CMPSFGKUQBEKRG-UHFFFAOYSA-N 0 0 525.495 4.168 50 5 KIBARN COc1ccc(NS(=O)(=O)c2cccc(NC(=O)CC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1Br ZINC000097982678 554004646 /nfs/dbraw/zinc/00/46/46/554004646.db2.gz ZONCZTLRJQKTNQ-UHFFFAOYSA-N 0 0 548.371 4.378 50 5 KIBARN COc1ccccc1N(CCN1C(=O)c2cccc3cccc(c32)C1=O)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000097983149 554007690 /nfs/dbraw/zinc/00/76/90/554007690.db2.gz YDGUJMMHQJKVDF-UHFFFAOYSA-N 0 0 525.517 4.465 50 5 KIBARN COc1ccc([N+](=O)[O-])cc1N=P(c1c(C)nn(-c2ccccc2)c1C)(N1CCOCC1)N1CCOCC1 ZINC000097983470 554009704 /nfs/dbraw/zinc/00/97/04/554009704.db2.gz SRZZHFBGMBVQIA-UHFFFAOYSA-N 0 0 540.561 4.059 50 5 KIBARN COc1ccc(N(CCN2C(=O)c3cccc4cccc(c43)C2=O)C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000097983913 554012827 /nfs/dbraw/zinc/01/28/27/554012827.db2.gz WQFMQERSEDUVHZ-HSZRJFAPSA-N 0 0 642.690 4.487 50 5 KIBARN COc1ccc(N(CCN2C(=O)c3cccc4cccc(c43)C2=O)C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000097983914 554012817 /nfs/dbraw/zinc/01/28/17/554012817.db2.gz WQFMQERSEDUVHZ-QHCPKHFHSA-N 0 0 642.690 4.487 50 5 KIBARN O=C(/C=C/c1ccccc1)Nc1ccc[n+](-c2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000097984624 554017522 /nfs/dbraw/zinc/01/75/22/554017522.db2.gz CNUCDJIVEPRIBD-FOCLMDBBSA-O 0 0 553.580 4.267 50 5 KIBARN COc1ccc([N+](=O)[O-])cc1N=P(c1ccc(N(C)C)c2ccccc21)(N1CCOCC1)N1CCOCC1 ZINC000097984863 554018899 /nfs/dbraw/zinc/01/88/99/554018899.db2.gz NZKSVMPCAFWAQV-UHFFFAOYSA-N 0 0 539.573 4.475 50 5 KIBARN COc1ccc(OC)c(-n2c(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)nnc2SCC(=O)Nc2cccc(C)c2)c1 ZINC000097985205 554021621 /nfs/dbraw/zinc/02/16/21/554021621.db2.gz QWWRHQMKXKBQIB-UHFFFAOYSA-N 0 0 576.635 4.470 50 5 KIBARN COc1ccc(-n2c(COc3ccc4c(c3)OCO4)nnc2SCC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000097993285 554030861 /nfs/dbraw/zinc/03/08/61/554030861.db2.gz MIUSBPBEHQOSDJ-UHFFFAOYSA-N 0 0 520.523 4.467 50 5 KIBARN COc1ccc(CNc2nc(NCc3ccc(OC)c(OC)c3)n(C(=O)c3ccccc3[N+](=O)[O-])n2)cc1OC ZINC000097995308 554033888 /nfs/dbraw/zinc/03/38/88/554033888.db2.gz PPMOYQDMKWOWHT-UHFFFAOYSA-N 0 0 548.556 4.133 50 5 KIBARN O=C1C[C@H](N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000097995436 554035043 /nfs/dbraw/zinc/03/50/43/554035043.db2.gz LJPXYXKSFWCMPS-SFHVURJKSA-N 0 0 517.291 4.375 50 5 KIBARN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000098000142 554048781 /nfs/dbraw/zinc/04/87/81/554048781.db2.gz JDEKMCAUEFMCIR-ZRBLBEILSA-N 0 0 554.353 4.426 50 5 KIBARN COc1ccc([N+](=O)[O-])cc1C(c1c(C)n(C)n(-c2ccccc2)c1=O)c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000098001639 554053156 /nfs/dbraw/zinc/05/31/56/554053156.db2.gz NBDDQAOODWZPAD-UHFFFAOYSA-N 0 0 539.592 4.379 50 5 KIBARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@@H]2c2ccccc2)cc1 ZINC000098007346 554063523 /nfs/dbraw/zinc/06/35/23/554063523.db2.gz UCILZYYBXHLFDX-DEOSSOPVSA-N 0 0 537.623 4.104 50 5 KIBARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@H]2c2ccccc2)cc1 ZINC000098007347 554063500 /nfs/dbraw/zinc/06/35/00/554063500.db2.gz UCILZYYBXHLFDX-XMMPIXPASA-N 0 0 537.623 4.104 50 5 KIBARN Cc1cc(C)n(-c2cc(N3CCN(S(=O)(=O)c4ccc5c(c4)Cc4ccccc4-5)CC3)ccc2[N+](=O)[O-])n1 ZINC000098007900 554064825 /nfs/dbraw/zinc/06/48/25/554064825.db2.gz QOFQYZVWBQXCGF-UHFFFAOYSA-N 0 0 529.622 4.479 50 5 KIBARN COc1ccc([C@H]2N(C(=O)CSc3nc4cc([N+](=O)[O-])ccc4[nH]3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000098007985 554065393 /nfs/dbraw/zinc/06/53/93/554065393.db2.gz UULHYWMGXUEUOZ-VWLOTQADSA-N 0 0 567.649 4.112 50 5 KIBARN COc1ccc([C@@H]2N(C(=O)CSc3nc4cc([N+](=O)[O-])ccc4[nH]3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000098007986 554065378 /nfs/dbraw/zinc/06/53/78/554065378.db2.gz UULHYWMGXUEUOZ-RUZDIDTESA-N 0 0 567.649 4.112 50 5 KIBARN COc1ccc(CCN(CCc2nc(-c3cccc([N+](=O)[O-])c3)no2)C(=O)COCc2ccccc2)cc1OC ZINC000098009769 554071048 /nfs/dbraw/zinc/07/10/48/554071048.db2.gz MDRMUARAZLTYDP-UHFFFAOYSA-N 0 0 546.580 4.493 50 5 KIBARN O=C(c1cccc([N+](=O)[O-])c1)N(CCCN1CCOCC1)CCc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000098009773 554071025 /nfs/dbraw/zinc/07/10/25/554071025.db2.gz DAJNHFZZFZIOSR-UHFFFAOYSA-N 0 0 533.507 4.071 50 5 KIBARN COc1ccc(CCN(CCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C(=O)COCc2ccccc2)cc1OC ZINC000098009786 554071066 /nfs/dbraw/zinc/07/10/66/554071066.db2.gz NSURBLZVKCFOSD-UHFFFAOYSA-N 0 0 546.580 4.493 50 5 KIBARN CCC(C)(C)c1ccc2c(c1)N(Cc1nc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)co1)C(=O)CO2 ZINC000098016539 554102088 /nfs/dbraw/zinc/10/20/88/554102088.db2.gz SDOIUDDWLOSNSO-UHFFFAOYSA-N 0 0 533.585 4.158 50 5 KIBARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000098017777 554110241 /nfs/dbraw/zinc/11/02/41/554110241.db2.gz NWJFUHKZTPIKOF-DEOSSOPVSA-N 0 0 550.058 4.121 50 5 KIBARN COCCN(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000098017778 554110280 /nfs/dbraw/zinc/11/02/80/554110280.db2.gz NWJFUHKZTPIKOF-XMMPIXPASA-N 0 0 550.058 4.121 50 5 KIBARN Cc1ccc(C(=O)N(CCCN2CCOCC2)CC(=O)N(Cc2ccco2)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000098017790 554110252 /nfs/dbraw/zinc/11/02/52/554110252.db2.gz RSIYSTLDOCNCRB-UHFFFAOYSA-N 0 0 552.603 4.029 50 5 KIBARN O=C(CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)N(Cc1ccco1)Cc1ccccc1 ZINC000098017910 554111023 /nfs/dbraw/zinc/11/10/23/554111023.db2.gz SPCACPPJBXOONP-NRFANRHFSA-N 0 0 548.017 4.240 50 5 KIBARN O=C(CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)N(Cc1ccco1)Cc1ccccc1 ZINC000098017911 554111124 /nfs/dbraw/zinc/11/11/24/554111124.db2.gz SPCACPPJBXOONP-OAQYLSRUSA-N 0 0 548.017 4.240 50 5 KIBARN COc1ccc(CCN(Cc2cccs2)C(=O)CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000098017933 554111357 /nfs/dbraw/zinc/11/13/57/554111357.db2.gz TZYZPMXAZIIDNZ-QHCPKHFHSA-N 0 0 603.719 4.115 50 5 KIBARN COc1ccc(CCN(Cc2cccs2)C(=O)CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000098017934 554111349 /nfs/dbraw/zinc/11/13/49/554111349.db2.gz TZYZPMXAZIIDNZ-HSZRJFAPSA-N 0 0 603.719 4.115 50 5 KIBARN COc1ccc(C(=O)CSc2nc3c(cc(OC)c(OC)c3OC)c(=O)n2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000098021481 554118946 /nfs/dbraw/zinc/11/89/46/554118946.db2.gz BGOVZSSQIAYYBG-UHFFFAOYSA-N 0 0 537.550 4.303 50 5 KIBARN COc1ccc(CCNc2cc(N3CCN(S(=O)(=O)c4ccc(SC)cc4)CC3)ccc2[N+](=O)[O-])cc1OC ZINC000098042827 554122562 /nfs/dbraw/zinc/12/25/62/554122562.db2.gz IJEPTBCDRRQUMC-UHFFFAOYSA-N 0 0 572.709 4.499 50 5 KIBARN Cc1nn(Cc2nc3c4sc5nc(C(F)(F)F)cc(-c6cnn(C)c6C)c5c4ncn3n2)cc1[N+](=O)[O-] ZINC000098046273 554137337 /nfs/dbraw/zinc/13/73/37/554137337.db2.gz NJWBCJMLTGTIEV-UHFFFAOYSA-N 0 0 528.480 4.076 50 5 KIBARN Cc1c(-c2cc(C(F)(F)F)nc3sc4c(ncn5nc(Cn6nnc(-c7ccccc7)n6)nc45)c32)cnn1C ZINC000098046276 554137313 /nfs/dbraw/zinc/13/73/13/554137313.db2.gz RNMJPRPGLGBSBK-UHFFFAOYSA-N 0 0 547.530 4.317 50 5 KIBARN Cc1cc([N+](=O)[O-])nn1CCc1nc2c3sc4nc(C(F)(F)F)cc(-c5cnn(C)c5C)c4c3ncn2n1 ZINC000098046277 554137315 /nfs/dbraw/zinc/13/73/15/554137315.db2.gz XXULZPAYVBDBNP-UHFFFAOYSA-N 0 0 542.507 4.271 50 5 KIBARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4cccs4)nn3c2=O)cc1[N+](=O)[O-] ZINC000098046296 554137654 /nfs/dbraw/zinc/13/76/54/554137654.db2.gz UFDVNUJOWXFEQR-BKUYFWCQSA-N 0 0 528.575 4.197 50 5 KIBARN COC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccs1 ZINC000098047119 554147096 /nfs/dbraw/zinc/14/70/96/554147096.db2.gz CJGVUWPFGSXJBA-LKWZWFHSSA-N 0 0 613.677 4.239 50 5 KIBARN COC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccs1 ZINC000098047120 554147075 /nfs/dbraw/zinc/14/70/75/554147075.db2.gz CJGVUWPFGSXJBA-KLKBWYFJSA-N 0 0 613.677 4.239 50 5 KIBARN COC(=O)c1c(C)oc2ccc(N(C(=O)c3c(OC)cccc3OC)S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc21 ZINC000098048277 554160989 /nfs/dbraw/zinc/16/09/89/554160989.db2.gz DMJMLTLIQSHLPD-UHFFFAOYSA-N 0 0 554.533 4.489 50 5 KIBARN CS(=O)(=O)c1ccc(NCCCSc2nnc(-c3ccc(S(=O)(=O)N4CCCCCC4)cc3)o2)c([N+](=O)[O-])c1 ZINC000098048364 554161641 /nfs/dbraw/zinc/16/16/41/554161641.db2.gz LKOQHMGZWSHSGO-UHFFFAOYSA-N 0 0 595.725 4.207 50 5 KIBARN O=C(c1ccc2c(c1)nc(SCc1cccc([N+](=O)[O-])c1)n(CCc1ccccc1)c2=O)N1CCOCC1 ZINC000098049140 554163292 /nfs/dbraw/zinc/16/32/92/554163292.db2.gz XLVHXUJFAUYTSO-UHFFFAOYSA-N 0 0 530.606 4.312 50 5 KIBARN Cc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2C)cc1 ZINC000098049161 554163560 /nfs/dbraw/zinc/16/35/60/554163560.db2.gz OTXOJXGXRJEHMH-QFIPXVFZSA-N 0 0 575.676 4.493 50 5 KIBARN Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2C)cc1 ZINC000098049162 554163610 /nfs/dbraw/zinc/16/36/10/554163610.db2.gz OTXOJXGXRJEHMH-JOCHJYFZSA-N 0 0 575.676 4.493 50 5 KIBARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2C)cc1 ZINC000098049174 554163772 /nfs/dbraw/zinc/16/37/72/554163772.db2.gz LKEMPCLMRQGVIO-QFIPXVFZSA-N 0 0 591.675 4.193 50 5 KIBARN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2C)cc1 ZINC000098049175 554163893 /nfs/dbraw/zinc/16/38/93/554163893.db2.gz LKEMPCLMRQGVIO-JOCHJYFZSA-N 0 0 591.675 4.193 50 5 KIBARN COc1ccc(CCNC(=O)CCn2c(=O)c3ccccc3nc2SCc2cccc([N+](=O)[O-])c2)cc1OC ZINC000098049391 554165665 /nfs/dbraw/zinc/16/56/65/554165665.db2.gz MWCNPENBFQOIEQ-UHFFFAOYSA-N 0 0 548.621 4.363 50 5 KIBARN COc1ccc(CCNC(=O)CCn2c(=O)c3ccccc3nc2SCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000098049436 554165966 /nfs/dbraw/zinc/16/59/66/554165966.db2.gz YNKGVRHWWAXUDB-UHFFFAOYSA-N 0 0 548.621 4.363 50 5 KIBARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n1C)CCCCC2 ZINC000098049488 554166692 /nfs/dbraw/zinc/16/66/92/554166692.db2.gz MIPYQQDILUEAIU-OAHLLOKOSA-N 0 0 586.696 4.280 50 5 KIBARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n1C)CCCCC2 ZINC000098049489 554166689 /nfs/dbraw/zinc/16/66/89/554166689.db2.gz MIPYQQDILUEAIU-HNNXBMFYSA-N 0 0 586.696 4.280 50 5 KIBARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)n1C)CCCC2 ZINC000098049506 554166673 /nfs/dbraw/zinc/16/66/73/554166673.db2.gz OWMWBMNQFASREL-OAHLLOKOSA-N 0 0 586.696 4.198 50 5 KIBARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)n1C)CCCC2 ZINC000098049507 554166582 /nfs/dbraw/zinc/16/65/82/554166582.db2.gz OWMWBMNQFASREL-HNNXBMFYSA-N 0 0 586.696 4.198 50 5 KIBARN CCCCn1c(CNC(=O)c2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)Nc1sc2c(c1C(=O)OCC)CCC2 ZINC000098049535 554166922 /nfs/dbraw/zinc/16/69/22/554166922.db2.gz LCOVYKKHAMWVKX-UHFFFAOYSA-N 0 0 586.696 4.374 50 5 KIBARN Cc1c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)sc2ncn(CC(=O)Nc3ccc(C)c(Cl)c3)c(=O)c12 ZINC000098049810 554169523 /nfs/dbraw/zinc/16/95/23/554169523.db2.gz BRBJHDPSZGNKJB-UHFFFAOYSA-N 0 0 581.054 4.238 50 5 KIBARN COc1cc([C@@H]2[C@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(C)c(Cl)c2)cc(OC)c1OC ZINC000098049949 554170407 /nfs/dbraw/zinc/17/04/07/554170407.db2.gz RNTFVTOTPNZENH-PKTZIBPZSA-N 0 0 551.939 4.335 50 5 KIBARN COc1cc([C@H]2[C@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(C)c(Cl)c2)cc(OC)c1OC ZINC000098049950 554170332 /nfs/dbraw/zinc/17/03/32/554170332.db2.gz RNTFVTOTPNZENH-GOTSBHOMSA-N 0 0 551.939 4.335 50 5 KIBARN COc1cc([C@@H]2[C@@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(C)c(Cl)c2)cc(OC)c1OC ZINC000098049951 554170366 /nfs/dbraw/zinc/17/03/66/554170366.db2.gz RNTFVTOTPNZENH-DHIUTWEWSA-N 0 0 551.939 4.335 50 5 KIBARN COc1cc([C@H]2[C@@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(C)c(Cl)c2)cc(OC)c1OC ZINC000098049952 554170419 /nfs/dbraw/zinc/17/04/19/554170419.db2.gz RNTFVTOTPNZENH-XZOQPEGZSA-N 0 0 551.939 4.335 50 5 KIBARN COc1ccc(N2C(=O)[C@@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@H]2c2cc(Br)ccc2OC)cc1 ZINC000098050007 554171045 /nfs/dbraw/zinc/17/10/45/554171045.db2.gz PNNSFPUSPXGWFT-YADHBBJMSA-N 0 0 552.337 4.127 50 5 KIBARN COc1ccc(N2C(=O)[C@@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@@H]2c2cc(Br)ccc2OC)cc1 ZINC000098050008 554171111 /nfs/dbraw/zinc/17/11/11/554171111.db2.gz PNNSFPUSPXGWFT-VXKWHMMOSA-N 0 0 552.337 4.127 50 5 KIBARN COc1ccc(N2C(=O)[C@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@H]2c2cc(Br)ccc2OC)cc1 ZINC000098050009 554171005 /nfs/dbraw/zinc/17/10/05/554171005.db2.gz PNNSFPUSPXGWFT-FGZHOGPDSA-N 0 0 552.337 4.127 50 5 KIBARN COc1ccc(N2C(=O)[C@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@@H]2c2cc(Br)ccc2OC)cc1 ZINC000098050010 554171001 /nfs/dbraw/zinc/17/10/01/554171001.db2.gz PNNSFPUSPXGWFT-FCHUYYIVSA-N 0 0 552.337 4.127 50 5 KIBARN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000098087011 554176601 /nfs/dbraw/zinc/17/66/01/554176601.db2.gz HUNHWWSJLMXWSM-UDWIEESQSA-N 0 0 506.496 4.466 50 5 KIBARN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000100019232 554182015 /nfs/dbraw/zinc/18/20/15/554182015.db2.gz VQSFDLJWTYXTBS-ONNFQVAWSA-N 0 0 540.001 4.330 50 5 KIBARN O=C1Nc2ccccc2/C1=C\c1nc2ccc(I)cc2c(=O)n1-c1cccc([N+](=O)[O-])c1 ZINC000100022283 554182113 /nfs/dbraw/zinc/18/21/13/554182113.db2.gz SDVRRXQDYPDQJS-SFQUDFHCSA-N 0 0 536.285 4.391 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000100064335 554199443 /nfs/dbraw/zinc/19/94/43/554199443.db2.gz STYMIBAFAFNLLF-KMBIYUNPSA-N 0 0 586.582 4.407 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000100064339 554199449 /nfs/dbraw/zinc/19/94/49/554199449.db2.gz STYMIBAFAFNLLF-GVMLUORFSA-N 0 0 586.582 4.407 50 5 KIBARN O=C1C[C@H](Sc2ccc([N+](=O)[O-])cc2)C(=O)N1c1cccc(N2C(=O)C[C@H](Sc3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000100079701 554206067 /nfs/dbraw/zinc/20/60/67/554206067.db2.gz LKKATPRHLATMJZ-VXKWHMMOSA-N 0 0 578.584 4.351 50 5 KIBARN O=C1C[C@@H](Sc2ccc([N+](=O)[O-])cc2)C(=O)N1c1cccc(N2C(=O)C[C@H](Sc3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000100079702 554206079 /nfs/dbraw/zinc/20/60/79/554206079.db2.gz LKKATPRHLATMJZ-SZPZYZBQSA-N 0 0 578.584 4.351 50 5 KIBARN O=C1C[C@@H](Sc2ccc([N+](=O)[O-])cc2)C(=O)N1c1cccc(N2C(=O)C[C@@H](Sc3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000100079703 554206065 /nfs/dbraw/zinc/20/60/65/554206065.db2.gz LKKATPRHLATMJZ-FGZHOGPDSA-N 0 0 578.584 4.351 50 5 KIBARN C[C@H](O)CN(CCNc1ccc([N+](=O)[O-])cc1Cl)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000100079848 554206460 /nfs/dbraw/zinc/20/64/60/554206460.db2.gz GGKKMBJZBFMBFJ-JTQLQIEISA-N 0 0 507.809 4.383 50 5 KIBARN C[C@@H](O)CN(CCNc1ccc([N+](=O)[O-])cc1Cl)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000100079851 554206423 /nfs/dbraw/zinc/20/64/23/554206423.db2.gz GGKKMBJZBFMBFJ-SNVBAGLBSA-N 0 0 507.809 4.383 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1cccs1 ZINC000100087924 554209740 /nfs/dbraw/zinc/20/97/40/554209740.db2.gz YDTOBVQEHRXLGD-WVWKGNOCSA-N 0 0 521.576 4.028 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1cccs1 ZINC000100087926 554209759 /nfs/dbraw/zinc/20/97/59/554209759.db2.gz YDTOBVQEHRXLGD-IMEWXKHHSA-N 0 0 521.576 4.028 50 5 KIBARN COc1ccc(CCNc2cc(N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)ccc2[N+](=O)[O-])cc1OC ZINC000100097712 554218982 /nfs/dbraw/zinc/21/89/82/554218982.db2.gz ZEZLSWYFJMDFKD-UHFFFAOYSA-N 0 0 540.642 4.086 50 5 KIBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1NCc1ccccc1 ZINC000100104663 554220317 /nfs/dbraw/zinc/22/03/17/554220317.db2.gz GJUAMFYIINSWDD-UHFFFAOYSA-N 0 0 531.432 4.480 50 5 KIBARN O=C(c1ccc(-c2cc3ccccc3oc2=O)cc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 ZINC000100113737 554222494 /nfs/dbraw/zinc/22/24/94/554222494.db2.gz VKGVJRUJWPKUGZ-UHFFFAOYSA-N 0 0 540.576 4.167 50 5 KIBARN COc1ccccc1N1CCN(c2cc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)ccc2[N+](=O)[O-])CC1 ZINC000100128410 554225237 /nfs/dbraw/zinc/22/52/37/554225237.db2.gz JNIPAZVTOVEZKR-UHFFFAOYSA-N 0 0 572.087 4.094 50 5 KIBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000100128417 554225253 /nfs/dbraw/zinc/22/52/53/554225253.db2.gz WLZBIGLNDBDBCV-UHFFFAOYSA-N 0 0 620.610 4.359 50 5 KIBARN O=C(c1ccccc1I)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1 ZINC000100133840 554226116 /nfs/dbraw/zinc/22/61/16/554226116.db2.gz AIIIKVJJSKOHKU-UHFFFAOYSA-N 0 0 532.338 4.367 50 5 KIBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1N1CCc2ccccc2C1 ZINC000100134352 554226297 /nfs/dbraw/zinc/22/62/97/554226297.db2.gz ASIFMFMQNQTRCV-UHFFFAOYSA-N 0 0 557.470 4.431 50 5 KIBARN COc1ccccc1N1CCN(c2cc(N3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)ccc2[N+](=O)[O-])CC1 ZINC000100136202 554226933 /nfs/dbraw/zinc/22/69/33/554226933.db2.gz PKOCYPCMVRVOHQ-UHFFFAOYSA-N 0 0 616.538 4.203 50 5 KIBARN COc1cccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(OC)c([N+](=O)[O-])c5)c(=O)n42)c2ccccc2CC3)c1 ZINC000100140569 554227632 /nfs/dbraw/zinc/22/76/32/554227632.db2.gz CBICPJRONCXRBR-SUAMDDGLSA-N 0 0 525.586 4.244 50 5 KIBARN COc1cccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(OC)c([N+](=O)[O-])c5)c(=O)n42)c2ccccc2CC3)c1 ZINC000100140570 554227688 /nfs/dbraw/zinc/22/76/88/554227688.db2.gz CBICPJRONCXRBR-MFCBUNOESA-N 0 0 525.586 4.244 50 5 KIBARN O=C1Nc2ccccc2/C1=C/c1nc2ccc(I)cc2c(=O)n1-c1cccc([N+](=O)[O-])c1 ZINC000100146657 554230308 /nfs/dbraw/zinc/23/03/08/554230308.db2.gz SDVRRXQDYPDQJS-ATVHPVEESA-N 0 0 536.285 4.391 50 5 KIBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1N1CCN(c2ccccc2)CC1 ZINC000100166921 554236832 /nfs/dbraw/zinc/23/68/32/554236832.db2.gz KUKGKZJGZWKXAR-UHFFFAOYSA-N 0 0 586.512 4.195 50 5 KIBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1N1CCN(c2ccccc2)CC1 ZINC000100167889 554237726 /nfs/dbraw/zinc/23/77/26/554237726.db2.gz MBMXIPJBLSDDFK-UHFFFAOYSA-N 0 0 542.061 4.086 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000100178050 554241214 /nfs/dbraw/zinc/24/12/14/554241214.db2.gz KASOZKVYYWTXON-XSZPGNIMSA-N 0 0 529.574 4.275 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1 ZINC000100178053 554241132 /nfs/dbraw/zinc/24/11/32/554241132.db2.gz KASOZKVYYWTXON-XXMKCSCWSA-N 0 0 529.574 4.275 50 5 KIBARN CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3[N+](=O)[O-])C(=O)[C@@H]12 ZINC000100186591 554243000 /nfs/dbraw/zinc/24/30/00/554243000.db2.gz REJJGJJKPKUYSQ-QQNJPBSNSA-N 0 0 517.335 4.497 50 5 KIBARN CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3[N+](=O)[O-])C(=O)[C@@H]12 ZINC000100186600 554243015 /nfs/dbraw/zinc/24/30/15/554243015.db2.gz REJJGJJKPKUYSQ-FGEXJBCWSA-N 0 0 517.335 4.497 50 5 KIBARN CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3[N+](=O)[O-])C(=O)[C@H]12 ZINC000100186607 554242997 /nfs/dbraw/zinc/24/29/97/554242997.db2.gz REJJGJJKPKUYSQ-VUUXHMSQSA-N 0 0 517.335 4.497 50 5 KIBARN CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3[N+](=O)[O-])C(=O)[C@H]12 ZINC000100186614 554243034 /nfs/dbraw/zinc/24/30/34/554243034.db2.gz REJJGJJKPKUYSQ-ZQFKLAOWSA-N 0 0 517.335 4.497 50 5 KIBARN Cc1ccc(S(=O)(=O)N2C/C(=C\c3ccc(Cn4ccc([N+](=O)[O-])n4)o3)c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1 ZINC000100207841 554248268 /nfs/dbraw/zinc/24/82/68/554248268.db2.gz SZVFIYXLDZAQDL-MHWRWJLKSA-N 0 0 566.508 4.307 50 5 KIBARN COc1ccc(N(CC(=O)Nc2ccc(I)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000100212537 554249655 /nfs/dbraw/zinc/24/96/55/554249655.db2.gz OFELNRWVRAOPLD-UHFFFAOYSA-N 0 0 581.388 4.350 50 5 KIBARN CCOc1ccc(N2C(=O)c3ccccc3C(=CNc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c([N+](=O)[O-])c1 ZINC000100229715 554255046 /nfs/dbraw/zinc/25/50/46/554255046.db2.gz DMHMNHQMTOWPCI-QJOMJCCJSA-N 0 0 539.548 4.431 50 5 KIBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1NCCOc1ccccc1 ZINC000100233229 554257563 /nfs/dbraw/zinc/25/75/63/554257563.db2.gz LRFHOKRXPJWKOM-UHFFFAOYSA-N 0 0 561.458 4.359 50 5 KIBARN CC(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)c2)CC1 ZINC000100280907 554276742 /nfs/dbraw/zinc/27/67/42/554276742.db2.gz YBDSWUPMDYRXTQ-UHFFFAOYSA-N 0 0 550.538 4.153 50 5 KIBARN COc1ccc(CCNc2cc(N3CCN(S(=O)(=O)c4ccc(C)c(NC(C)=O)c4C)CC3)ccc2[N+](=O)[O-])cc1OC ZINC000100283662 554277178 /nfs/dbraw/zinc/27/71/78/554277178.db2.gz YVZWRQNSPIDVAI-UHFFFAOYSA-N 0 0 611.721 4.353 50 5 KIBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1NCc1cccnc1 ZINC000100295724 554288549 /nfs/dbraw/zinc/28/85/49/554288549.db2.gz AAUGRZWJNJUNQX-UHFFFAOYSA-N 0 0 522.414 4.420 50 5 KIBARN CCN1C(=O)/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)N(C)C1=S ZINC000100301229 554291334 /nfs/dbraw/zinc/29/13/34/554291334.db2.gz GAGNBOBXKGJGFK-YVLHZVERSA-N 0 0 553.378 4.207 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000100305246 554293307 /nfs/dbraw/zinc/29/33/07/554293307.db2.gz NNKYXTATLRASCM-ABBNRAPFSA-N 0 0 585.638 4.294 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1 ZINC000100305250 554293298 /nfs/dbraw/zinc/29/32/98/554293298.db2.gz NNKYXTATLRASCM-CSJROMOCSA-N 0 0 585.638 4.294 50 5 KIBARN O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O ZINC000100315448 554302723 /nfs/dbraw/zinc/30/27/23/554302723.db2.gz UZUAEIDKQOHKPQ-FQEVSTJZSA-N 0 0 539.298 4.112 50 5 KIBARN O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O ZINC000100315453 554302790 /nfs/dbraw/zinc/30/27/90/554302790.db2.gz UZUAEIDKQOHKPQ-HXUWFJFHSA-N 0 0 539.298 4.112 50 5 KIBARN Cc1nn(-c2cc(N3CCN(C(=O)c4ccccc4Br)CC3)ccc2[N+](=O)[O-])c(=O)c2ccccc12 ZINC000100316986 554303294 /nfs/dbraw/zinc/30/32/94/554303294.db2.gz ZDXXARSTHXTGRP-UHFFFAOYSA-N 0 0 548.397 4.327 50 5 KIBARN O=c1c2ccccc2c(-c2ccccc2)nn1-c1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000100317454 554303334 /nfs/dbraw/zinc/30/33/34/554303334.db2.gz WLSHESCFUFXPAQ-UHFFFAOYSA-N 0 0 567.627 4.472 50 5 KIBARN Cc1ccc(S(=O)(=O)N2CCN(c3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])CC2)cc1 ZINC000100320886 554305151 /nfs/dbraw/zinc/30/51/51/554305151.db2.gz RGPQNQABXNNCID-UHFFFAOYSA-N 0 0 538.670 4.113 50 5 KIBARN Cc1nn(-c2cc(N3CCN(S(=O)(=O)c4ccc(Cl)c(Cl)c4)CC3)ccc2[N+](=O)[O-])c(=O)c2ccccc12 ZINC000100322585 554306607 /nfs/dbraw/zinc/30/66/07/554306607.db2.gz MVRLISDCRJTOAA-UHFFFAOYSA-N 0 0 574.446 4.420 50 5 KIBARN CCS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(-n3nc(-c4ccc(Cl)cc4)c4ccccc4c3=O)c2)CC1 ZINC000100339462 554324271 /nfs/dbraw/zinc/32/42/71/554324271.db2.gz GOKWXHVOUIJMQB-UHFFFAOYSA-N 0 0 554.028 4.086 50 5 KIBARN Cc1nn(-c2cc(N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)ccc2[N+](=O)[O-])c(=O)c2ccccc12 ZINC000100342431 554327256 /nfs/dbraw/zinc/32/72/56/554327256.db2.gz MPBGJFBRWAITDV-UHFFFAOYSA-N 0 0 555.616 4.266 50 5 KIBARN Cc1cc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000100346400 554330238 /nfs/dbraw/zinc/33/02/38/554330238.db2.gz KFCKYDABKWKZQY-UHFFFAOYSA-N 0 0 512.343 4.066 50 5 KIBARN O=C(CNC(=O)c1ccc(Br)cc1)NCC(=O)OCC(=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000100348242 554330540 /nfs/dbraw/zinc/33/05/40/554330540.db2.gz OAFFLSSIZUOJHQ-UHFFFAOYSA-N 0 0 604.797 4.075 50 5 KIBARN Cc1c(C(=O)Oc2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100350018 554330892 /nfs/dbraw/zinc/33/08/92/554330892.db2.gz MTELFLMLAWYJFT-UHFFFAOYSA-N 0 0 526.370 4.375 50 5 KIBARN Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(OC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000100350350 554330906 /nfs/dbraw/zinc/33/09/06/554330906.db2.gz NBWPDRYWZKCFPP-UHFFFAOYSA-N 0 0 512.343 4.066 50 5 KIBARN O=C(Oc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100353126 554331447 /nfs/dbraw/zinc/33/14/47/554331447.db2.gz FMCVSOOSGCJAJN-UHFFFAOYSA-N 0 0 532.761 4.411 50 5 KIBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000100375498 193908157 /nfs/dbraw/zinc/90/81/57/193908157.db2.gz AYEJSSMDSTZCJD-UHFFFAOYSA-N 0 0 529.280 4.340 50 5 KIBARN Cc1c(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000100391097 193913140 /nfs/dbraw/zinc/91/31/40/193913140.db2.gz ZTALHSZJSAIOBX-UHFFFAOYSA-N 0 0 512.343 4.066 50 5 KIBARN O=C(c1cccc2c(Br)cccc12)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 ZINC000100392168 193913373 /nfs/dbraw/zinc/91/33/73/193913373.db2.gz HSNKSDDKEJYTTE-UHFFFAOYSA-N 0 0 525.403 4.310 50 5 KIBARN O=C(Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100489144 554402681 /nfs/dbraw/zinc/40/26/81/554402681.db2.gz CIRWKPJTDAQFDV-UHFFFAOYSA-N 0 0 530.793 4.477 50 5 KIBARN Cc1c(C(=O)Oc2cccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100491777 554403029 /nfs/dbraw/zinc/40/30/29/554403029.db2.gz VRWKKBSDSMFZLY-UHFFFAOYSA-N 0 0 526.370 4.375 50 5 KIBARN O=C(Oc1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(Cl)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000100497105 554404582 /nfs/dbraw/zinc/40/45/82/554404582.db2.gz QTCONYYXJKVEIE-UHFFFAOYSA-N 0 0 532.761 4.411 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000100533199 554410835 /nfs/dbraw/zinc/41/08/35/554410835.db2.gz IUGGZLCIBUWWON-USDTVRPUSA-N 0 0 615.664 4.303 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000100533202 554411142 /nfs/dbraw/zinc/41/11/42/554411142.db2.gz IUGGZLCIBUWWON-PKYOQBLNSA-N 0 0 615.664 4.303 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000100534293 554411734 /nfs/dbraw/zinc/41/17/34/554411734.db2.gz HPWJIPXQBSFKNI-YVBHXKDBSA-N 0 0 615.664 4.303 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000100534299 554411823 /nfs/dbraw/zinc/41/18/23/554411823.db2.gz HPWJIPXQBSFKNI-VPHSIRQSSA-N 0 0 615.664 4.303 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000100534399 554411761 /nfs/dbraw/zinc/41/17/61/554411761.db2.gz VPPKPJAUNSTFJR-SUAMDDGLSA-N 0 0 589.626 4.292 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000100534404 554411751 /nfs/dbraw/zinc/41/17/51/554411751.db2.gz VPPKPJAUNSTFJR-MFCBUNOESA-N 0 0 589.626 4.292 50 5 KIBARN Cc1ccc(S(=O)(=O)N2c3ccccc3[C@H](N3CCOCC3)/C2=C/COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000100561760 554418394 /nfs/dbraw/zinc/41/83/94/554418394.db2.gz PKWYWYBZHCRQDA-TZOWMPLFSA-N 0 0 521.595 4.448 50 5 KIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000100569453 554421031 /nfs/dbraw/zinc/42/10/31/554421031.db2.gz LAXCPHDJDSBNAS-JMIUGGIZSA-N 0 0 541.860 4.483 50 5 KIBARN Cc1ccc(S(=O)(=O)N(Cc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)c2ccccc2)cc1 ZINC000100570934 554422091 /nfs/dbraw/zinc/42/20/91/554422091.db2.gz JKWJBKZKULEKNG-UHFFFAOYSA-N 0 0 539.595 4.413 50 5 KIBARN Cc1cc(N2C(=O)[C@@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@H]2c2ccc3c(c2)OCO3)ccc1Br ZINC000100577811 554423604 /nfs/dbraw/zinc/42/36/04/554423604.db2.gz NAIVPIYIRJDPKF-YADHBBJMSA-N 0 0 550.321 4.147 50 5 KIBARN Cc1cc(N2C(=O)[C@@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@@H]2c2ccc3c(c2)OCO3)ccc1Br ZINC000100577815 554423671 /nfs/dbraw/zinc/42/36/71/554423671.db2.gz NAIVPIYIRJDPKF-VXKWHMMOSA-N 0 0 550.321 4.147 50 5 KIBARN Cc1cc(N2C(=O)[C@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@H]2c2ccc3c(c2)OCO3)ccc1Br ZINC000100577819 554423574 /nfs/dbraw/zinc/42/35/74/554423574.db2.gz NAIVPIYIRJDPKF-FGZHOGPDSA-N 0 0 550.321 4.147 50 5 KIBARN Cc1cc(N2C(=O)[C@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@@H]2c2ccc3c(c2)OCO3)ccc1Br ZINC000100577823 554423586 /nfs/dbraw/zinc/42/35/86/554423586.db2.gz NAIVPIYIRJDPKF-FCHUYYIVSA-N 0 0 550.321 4.147 50 5 KIBARN O=C1[C@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@H](c2ccc3c(c2)OCO3)N1c1cc(Cl)cc(Cl)c1 ZINC000100577836 554423556 /nfs/dbraw/zinc/42/35/56/554423556.db2.gz RDXBIRFZXDQIPY-LEWJYISDSA-N 0 0 526.288 4.383 50 5 KIBARN O=C1[C@@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@H](c2ccc3c(c2)OCO3)N1c1cc(Cl)cc(Cl)c1 ZINC000100577839 554423651 /nfs/dbraw/zinc/42/36/51/554423651.db2.gz RDXBIRFZXDQIPY-SFTDATJTSA-N 0 0 526.288 4.383 50 5 KIBARN O=C1[C@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H](c2ccc3c(c2)OCO3)N1c1cc(Cl)cc(Cl)c1 ZINC000100577842 554424125 /nfs/dbraw/zinc/42/41/25/554424125.db2.gz RDXBIRFZXDQIPY-NHCUHLMSSA-N 0 0 526.288 4.383 50 5 KIBARN O=C1[C@@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H](c2ccc3c(c2)OCO3)N1c1cc(Cl)cc(Cl)c1 ZINC000100577845 554423973 /nfs/dbraw/zinc/42/39/73/554423973.db2.gz RDXBIRFZXDQIPY-RTWAWAEBSA-N 0 0 526.288 4.383 50 5 KIBARN O=C1[C@@H](N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@@H](c2ccc3c(c2)OCO3)N1c1cc(Cl)cc(Cl)c1 ZINC000100577890 554424090 /nfs/dbraw/zinc/42/40/90/554424090.db2.gz HETXJHKJMGTYJL-RTWAWAEBSA-N 0 0 526.288 4.383 50 5 KIBARN O=C1[C@@H](N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@H](c2ccc3c(c2)OCO3)N1c1cc(Cl)cc(Cl)c1 ZINC000100577893 554424120 /nfs/dbraw/zinc/42/41/20/554424120.db2.gz HETXJHKJMGTYJL-SFTDATJTSA-N 0 0 526.288 4.383 50 5 KIBARN O=C1[C@H](N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@@H](c2ccc3c(c2)OCO3)N1c1cc(Cl)cc(Cl)c1 ZINC000100577897 554423966 /nfs/dbraw/zinc/42/39/66/554423966.db2.gz HETXJHKJMGTYJL-NHCUHLMSSA-N 0 0 526.288 4.383 50 5 KIBARN O=C1[C@H](N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@H](c2ccc3c(c2)OCO3)N1c1cc(Cl)cc(Cl)c1 ZINC000100577900 554424080 /nfs/dbraw/zinc/42/40/80/554424080.db2.gz HETXJHKJMGTYJL-LEWJYISDSA-N 0 0 526.288 4.383 50 5 KIBARN O=C1[C@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@H](c2ccc3c(c2)OCO3)N1c1ccc(Cl)c(Cl)c1 ZINC000100578062 554423996 /nfs/dbraw/zinc/42/39/96/554423996.db2.gz TTXCEXGRWRSTPQ-LEWJYISDSA-N 0 0 526.288 4.383 50 5 KIBARN O=C1[C@@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@H](c2ccc3c(c2)OCO3)N1c1ccc(Cl)c(Cl)c1 ZINC000100578065 554424060 /nfs/dbraw/zinc/42/40/60/554424060.db2.gz TTXCEXGRWRSTPQ-SFTDATJTSA-N 0 0 526.288 4.383 50 5 KIBARN O=C1[C@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H](c2ccc3c(c2)OCO3)N1c1ccc(Cl)c(Cl)c1 ZINC000100578069 554424135 /nfs/dbraw/zinc/42/41/35/554424135.db2.gz TTXCEXGRWRSTPQ-NHCUHLMSSA-N 0 0 526.288 4.383 50 5 KIBARN O=C1[C@@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H](c2ccc3c(c2)OCO3)N1c1ccc(Cl)c(Cl)c1 ZINC000100578072 554424109 /nfs/dbraw/zinc/42/41/09/554424109.db2.gz TTXCEXGRWRSTPQ-RTWAWAEBSA-N 0 0 526.288 4.383 50 5 KIBARN COc1cc([C@@H]2[C@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(Cl)cc2)cc(OC)c1OC ZINC000100584241 554425830 /nfs/dbraw/zinc/42/58/30/554425830.db2.gz BTABUFSIWMHSKW-YADHBBJMSA-N 0 0 537.912 4.027 50 5 KIBARN COc1cc([C@H]2[C@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(Cl)cc2)cc(OC)c1OC ZINC000100584244 554425811 /nfs/dbraw/zinc/42/58/11/554425811.db2.gz BTABUFSIWMHSKW-VXKWHMMOSA-N 0 0 537.912 4.027 50 5 KIBARN COc1cc([C@@H]2[C@@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(Cl)cc2)cc(OC)c1OC ZINC000100584246 554425789 /nfs/dbraw/zinc/42/57/89/554425789.db2.gz BTABUFSIWMHSKW-FGZHOGPDSA-N 0 0 537.912 4.027 50 5 KIBARN COc1cc([C@H]2[C@@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(Cl)cc2)cc(OC)c1OC ZINC000100584249 554425756 /nfs/dbraw/zinc/42/57/56/554425756.db2.gz BTABUFSIWMHSKW-FCHUYYIVSA-N 0 0 537.912 4.027 50 5 KIBARN COc1ccc(OC)c([C@@H]2[C@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(Br)cc2)c1 ZINC000100584326 554425655 /nfs/dbraw/zinc/42/56/55/554425655.db2.gz ZMDLCGMRUMXOOP-YADHBBJMSA-N 0 0 552.337 4.127 50 5 KIBARN COc1ccc(OC)c([C@H]2[C@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(Br)cc2)c1 ZINC000100584331 554426168 /nfs/dbraw/zinc/42/61/68/554426168.db2.gz ZMDLCGMRUMXOOP-VXKWHMMOSA-N 0 0 552.337 4.127 50 5 KIBARN COc1ccc(OC)c([C@@H]2[C@@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(Br)cc2)c1 ZINC000100584334 554426079 /nfs/dbraw/zinc/42/60/79/554426079.db2.gz ZMDLCGMRUMXOOP-FGZHOGPDSA-N 0 0 552.337 4.127 50 5 KIBARN COc1ccc(OC)c([C@H]2[C@@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(Br)cc2)c1 ZINC000100584339 554426159 /nfs/dbraw/zinc/42/61/59/554426159.db2.gz ZMDLCGMRUMXOOP-FCHUYYIVSA-N 0 0 552.337 4.127 50 5 KIBARN COc1ccc(OC)c([C@@H]2[C@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(Cl)cc2C)c1 ZINC000100584573 554426139 /nfs/dbraw/zinc/42/61/39/554426139.db2.gz ABUWYLWMRMABLK-PKTZIBPZSA-N 0 0 521.913 4.327 50 5 KIBARN COc1ccc(OC)c([C@H]2[C@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(Cl)cc2C)c1 ZINC000100584579 554426183 /nfs/dbraw/zinc/42/61/83/554426183.db2.gz ABUWYLWMRMABLK-GOTSBHOMSA-N 0 0 521.913 4.327 50 5 KIBARN COc1ccc(OC)c([C@@H]2[C@@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(Cl)cc2C)c1 ZINC000100584582 554426033 /nfs/dbraw/zinc/42/60/33/554426033.db2.gz ABUWYLWMRMABLK-DHIUTWEWSA-N 0 0 521.913 4.327 50 5 KIBARN COc1ccc(OC)c([C@H]2[C@@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(Cl)cc2C)c1 ZINC000100584585 554426066 /nfs/dbraw/zinc/42/60/66/554426066.db2.gz ABUWYLWMRMABLK-XZOQPEGZSA-N 0 0 521.913 4.327 50 5 KIBARN COc1ccc(OC)c([C@@H]2[C@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(C)c(Cl)c2)c1 ZINC000100584679 554426481 /nfs/dbraw/zinc/42/64/81/554426481.db2.gz MJSUGFLNBBDVFG-PKTZIBPZSA-N 0 0 521.913 4.327 50 5 KIBARN COc1ccc(OC)c([C@H]2[C@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(C)c(Cl)c2)c1 ZINC000100584682 554426432 /nfs/dbraw/zinc/42/64/32/554426432.db2.gz MJSUGFLNBBDVFG-GOTSBHOMSA-N 0 0 521.913 4.327 50 5 KIBARN COc1ccc(OC)c([C@@H]2[C@@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(C)c(Cl)c2)c1 ZINC000100584685 554426448 /nfs/dbraw/zinc/42/64/48/554426448.db2.gz MJSUGFLNBBDVFG-DHIUTWEWSA-N 0 0 521.913 4.327 50 5 KIBARN COc1ccc(OC)c([C@H]2[C@@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(C)c(Cl)c2)c1 ZINC000100584688 554426360 /nfs/dbraw/zinc/42/63/60/554426360.db2.gz MJSUGFLNBBDVFG-XZOQPEGZSA-N 0 0 521.913 4.327 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cccs1 ZINC000100593745 554429717 /nfs/dbraw/zinc/42/97/17/554429717.db2.gz ACIXZMBKKJKCCF-FJWZAKCXSA-N 0 0 535.603 4.336 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cccs1 ZINC000100593753 554429797 /nfs/dbraw/zinc/42/97/97/554429797.db2.gz ACIXZMBKKJKCCF-RQLGBQGVSA-N 0 0 535.603 4.336 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000100618410 554433463 /nfs/dbraw/zinc/43/34/63/554433463.db2.gz IEKSKWSBHXDRAC-LMSRTUJASA-N 0 0 559.600 4.284 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000100618601 554433853 /nfs/dbraw/zinc/43/38/53/554433853.db2.gz ZHUPGAXLZFCNQV-SUAMDDGLSA-N 0 0 589.626 4.292 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000100618604 554433870 /nfs/dbraw/zinc/43/38/70/554433870.db2.gz ZHUPGAXLZFCNQV-MFCBUNOESA-N 0 0 589.626 4.292 50 5 KIBARN Cc1cccn2c1nc1c(cc(S(=O)(=O)c3ccc(Cl)cc3)c(=N)n1CCc1ccccc1)c2=O ZINC000100674793 554443315 /nfs/dbraw/zinc/44/33/15/554443315.db2.gz UJIHUMIHQQWRIU-UHFFFAOYSA-N 0 0 504.999 4.166 50 5 KIBARN CCc1ccc(OCC(=O)N[C@H](NC(=S)Nc2ccc(OC)cc2[N+](=O)[O-])C(Cl)(Cl)Cl)cc1 ZINC000100683733 554448643 /nfs/dbraw/zinc/44/86/43/554448643.db2.gz UAMXFBDOELMKDV-GOSISDBHSA-N 0 0 535.837 4.344 50 5 KIBARN CCc1ccc(OCC(=O)N[C@@H](NC(=S)Nc2ccc(OC)cc2[N+](=O)[O-])C(Cl)(Cl)Cl)cc1 ZINC000100683737 554448666 /nfs/dbraw/zinc/44/86/66/554448666.db2.gz UAMXFBDOELMKDV-SFHVURJKSA-N 0 0 535.837 4.344 50 5 KIBARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000100712243 554454157 /nfs/dbraw/zinc/45/41/57/554454157.db2.gz NLMASEVYVASCCN-RQLGBQGVSA-N 0 0 535.965 4.230 50 5 KIBARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000100712246 554454077 /nfs/dbraw/zinc/45/40/77/554454077.db2.gz NLMASEVYVASCCN-FJWZAKCXSA-N 0 0 535.965 4.230 50 5 KIBARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000100715217 554454509 /nfs/dbraw/zinc/45/45/09/554454509.db2.gz YCWYZIHKEKUMPS-RQLGBQGVSA-N 0 0 535.965 4.230 50 5 KIBARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000100715220 554454492 /nfs/dbraw/zinc/45/44/92/554454492.db2.gz YCWYZIHKEKUMPS-FJWZAKCXSA-N 0 0 535.965 4.230 50 5 KIBARN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(I)cc1 ZINC000100720789 554455184 /nfs/dbraw/zinc/45/51/84/554455184.db2.gz XAPBYUSOEUEACS-UHFFFAOYSA-N 0 0 537.335 4.033 50 5 KIBARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000100721570 554455712 /nfs/dbraw/zinc/45/57/12/554455712.db2.gz FOPBUBPLXXMXES-RQLGBQGVSA-N 0 0 535.965 4.230 50 5 KIBARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000100721572 554455736 /nfs/dbraw/zinc/45/57/36/554455736.db2.gz FOPBUBPLXXMXES-FJWZAKCXSA-N 0 0 535.965 4.230 50 5 KIBARN O=C(NCc1ccccc1)c1ccccc1Nc1nc2nc3ccccc3c(=O)n2cc1Br ZINC000100726879 554457593 /nfs/dbraw/zinc/45/75/93/554457593.db2.gz SBAMVRAJXDAABM-UHFFFAOYSA-N 0 0 500.356 4.101 50 5 KIBARN COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCOC)C1c1cn(-c2ccccc2)nc1-c1ccc(OC)c([N+](=O)[O-])c1 ZINC000100738105 554461551 /nfs/dbraw/zinc/46/15/51/554461551.db2.gz VIHBOBPACJMYJN-UHFFFAOYSA-N 0 0 606.632 4.070 50 5 KIBARN CCOc1ccc(-c2nn(-c3ccccc3)cc2C2C(C(=O)OCCOC)=C(C)NC(C)=C2C(=O)OCCOC)cc1[N+](=O)[O-] ZINC000100738114 554461524 /nfs/dbraw/zinc/46/15/24/554461524.db2.gz OCMCBTQRIVNLJL-UHFFFAOYSA-N 0 0 620.659 4.460 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000100745906 554464413 /nfs/dbraw/zinc/46/44/13/554464413.db2.gz ZTAIGKGQQOUNPU-SUAMDDGLSA-N 0 0 589.626 4.292 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000100745911 554464370 /nfs/dbraw/zinc/46/43/70/554464370.db2.gz ZTAIGKGQQOUNPU-MFCBUNOESA-N 0 0 589.626 4.292 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000100745929 554464386 /nfs/dbraw/zinc/46/43/86/554464386.db2.gz LKSNRCYQFCLPES-YVBHXKDBSA-N 0 0 615.664 4.303 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000100745930 554464418 /nfs/dbraw/zinc/46/44/18/554464418.db2.gz LKSNRCYQFCLPES-VPHSIRQSSA-N 0 0 615.664 4.303 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000100745963 554464452 /nfs/dbraw/zinc/46/44/52/554464452.db2.gz ICXKMSRJMBPJHQ-PRLWALMFSA-N 0 0 619.652 4.382 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000100745966 554464343 /nfs/dbraw/zinc/46/43/43/554464343.db2.gz ICXKMSRJMBPJHQ-FUFNRSNVSA-N 0 0 619.652 4.382 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000100746225 554464785 /nfs/dbraw/zinc/46/47/85/554464785.db2.gz LKGGTVTYQKFDNI-LMSRTUJASA-N 0 0 559.600 4.284 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000100746226 554464709 /nfs/dbraw/zinc/46/47/09/554464709.db2.gz LKGGTVTYQKFDNI-RISWYLRJSA-N 0 0 559.600 4.284 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000100746227 554464699 /nfs/dbraw/zinc/46/46/99/554464699.db2.gz LDVVWYMINSCLIF-LMSRTUJASA-N 0 0 559.600 4.284 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000100747278 554465626 /nfs/dbraw/zinc/46/56/26/554465626.db2.gz LSYSBRNSOBJRCO-WLGHQHAYSA-N 0 0 549.008 4.151 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000100747284 554465563 /nfs/dbraw/zinc/46/55/63/554465563.db2.gz LSYSBRNSOBJRCO-NLZIUFDSSA-N 0 0 549.008 4.151 50 5 KIBARN Cc1c([N+](=O)[O-])c([N+](=O)[O-])nn1CC(=O)Nc1cc(Oc2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1 ZINC000100772805 554471624 /nfs/dbraw/zinc/47/16/24/554471624.db2.gz MYRSJWLJZLGRQU-UHFFFAOYSA-N 0 0 510.341 4.366 50 5 KIBARN CCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]2[C@H]2C=Cc3c4ccccc4ccc3N21 ZINC000100786912 554472710 /nfs/dbraw/zinc/47/27/10/554472710.db2.gz BGGHYNLSYCAQES-BUZMGHMJSA-N 0 0 517.925 4.354 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000100810833 554475173 /nfs/dbraw/zinc/47/51/73/554475173.db2.gz BLPTVCHOVZPNRR-AQIZGWBQSA-N 0 0 547.564 4.414 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000100810835 554475175 /nfs/dbraw/zinc/47/51/75/554475175.db2.gz BLPTVCHOVZPNRR-ZDGAQAAHSA-N 0 0 547.564 4.414 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000100815399 554476097 /nfs/dbraw/zinc/47/60/97/554476097.db2.gz YUIZUAVGNNIZDO-AQIZGWBQSA-N 0 0 547.564 4.414 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000100815400 554476229 /nfs/dbraw/zinc/47/62/29/554476229.db2.gz YUIZUAVGNNIZDO-ZDGAQAAHSA-N 0 0 547.564 4.414 50 5 KIBARN COc1ccccc1-n1c(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)nnc1SCC(=O)N1CCc2ccccc21 ZINC000100816742 554476792 /nfs/dbraw/zinc/47/67/92/554476792.db2.gz DVPMXANZAAJMEM-UHFFFAOYSA-N 0 0 579.038 4.449 50 5 KIBARN Cc1ccc(C(=O)NCc2nnc(SCC(=O)N3CCCc4ccccc43)n2-c2ccccc2)cc1[N+](=O)[O-] ZINC000100816748 554476775 /nfs/dbraw/zinc/47/67/75/554476775.db2.gz NZWFLTCEKLHRDO-UHFFFAOYSA-N 0 0 542.621 4.485 50 5 KIBARN COc1ccccc1-n1c(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)nnc1SCC(=O)N1CCCc2ccccc21 ZINC000100816755 554476765 /nfs/dbraw/zinc/47/67/65/554476765.db2.gz HZWGWFXQUHBLOF-UHFFFAOYSA-N 0 0 572.647 4.494 50 5 KIBARN Cc1ccc(C(=O)NCc2nnc(SCC(=O)N3CCc4ccccc43)n2-c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000100816763 554476769 /nfs/dbraw/zinc/47/67/69/554476769.db2.gz QPWBSWNQCTVHAQ-UHFFFAOYSA-N 0 0 546.584 4.234 50 5 KIBARN CCSc1nnc(NC(=O)CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3C)n2-c2ccc(F)cc2)s1 ZINC000100816775 554476806 /nfs/dbraw/zinc/47/68/06/554476806.db2.gz LUYNHKVBMFABIB-UHFFFAOYSA-N 0 0 588.672 4.247 50 5 KIBARN CCOc1ccc(NC(=O)CSc2nnc(CNC(=O)COc3ccccc3)n2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000100816806 554476994 /nfs/dbraw/zinc/47/69/94/554476994.db2.gz BCKXMRIGSRKMAJ-UHFFFAOYSA-N 0 0 562.608 4.000 50 5 KIBARN COc1ccc(CC(=O)NCc2nnc(SCC(=O)N3CCCc4ccccc43)n2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000100816837 554476981 /nfs/dbraw/zinc/47/69/81/554476981.db2.gz HPXVRVDYLLJTOQ-UHFFFAOYSA-N 0 0 572.647 4.115 50 5 KIBARN COc1ccc(CC(=O)NCc2nnc(SCC(=O)Nc3nc4ccccc4s3)n2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000100816838 554476949 /nfs/dbraw/zinc/47/69/49/554476949.db2.gz HROKDPWTBGMSEY-UHFFFAOYSA-N 0 0 589.659 4.384 50 5 KIBARN CCOc1ccc(NC(=O)CSc2nnc(CNC(=O)c3cccs3)n2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000100816856 554476997 /nfs/dbraw/zinc/47/69/97/554476997.db2.gz UUIWBIOXUDQPJB-UHFFFAOYSA-N 0 0 538.611 4.297 50 5 KIBARN O=C(CSc1nnc(NC(=O)c2c(F)cccc2F)s1)Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1 ZINC000100816912 554476973 /nfs/dbraw/zinc/47/69/73/554476973.db2.gz URNNKOCCKIPSQL-UHFFFAOYSA-N 0 0 535.539 4.226 50 5 KIBARN COc1cc(C(=O)Nc2nnc(SCC(=O)Nc3nc4ccccc4s3)s2)c([N+](=O)[O-])cc1OC ZINC000100816919 554477006 /nfs/dbraw/zinc/47/70/06/554477006.db2.gz QOZYMGRHEKFCRT-UHFFFAOYSA-N 0 0 532.585 4.056 50 5 KIBARN O=C(CSc1nnc(NC(=O)c2ccc(Br)o2)s1)Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1 ZINC000100816932 554476945 /nfs/dbraw/zinc/47/69/45/554476945.db2.gz OINGUSZNZHNGDL-UHFFFAOYSA-N 0 0 568.416 4.303 50 5 KIBARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4ccc([N+](=O)[O-])cc4)n3C)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000100817019 554477285 /nfs/dbraw/zinc/47/72/85/554477285.db2.gz QNRJAJDPLAEBJM-SANMLTNESA-N 0 0 599.673 4.440 50 5 KIBARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4ccc([N+](=O)[O-])cc4)n3C)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000100817020 554477273 /nfs/dbraw/zinc/47/72/73/554477273.db2.gz QNRJAJDPLAEBJM-AREMUKBSSA-N 0 0 599.673 4.440 50 5 KIBARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4ccc([N+](=O)[O-])cc4)n3C)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000100817025 554477279 /nfs/dbraw/zinc/47/72/79/554477279.db2.gz GLBMHUMMGCBTHR-VWLOTQADSA-N 0 0 603.636 4.271 50 5 KIBARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4ccc([N+](=O)[O-])cc4)n3C)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000100817027 554477287 /nfs/dbraw/zinc/47/72/87/554477287.db2.gz GLBMHUMMGCBTHR-RUZDIDTESA-N 0 0 603.636 4.271 50 5 KIBARN Cn1c(CNC(=O)c2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1 ZINC000100817029 554477277 /nfs/dbraw/zinc/47/72/77/554477277.db2.gz AYRAPZTYHRSFMP-NRFANRHFSA-N 0 0 579.639 4.324 50 5 KIBARN Cn1c(CNC(=O)c2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 ZINC000100817031 554477291 /nfs/dbraw/zinc/47/72/91/554477291.db2.gz AYRAPZTYHRSFMP-OAQYLSRUSA-N 0 0 579.639 4.324 50 5 KIBARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4ccc([N+](=O)[O-])cc4)n3C)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000100817033 554477276 /nfs/dbraw/zinc/47/72/76/554477276.db2.gz YLUNPDISURTYFL-SANMLTNESA-N 0 0 615.672 4.141 50 5 KIBARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4ccc([N+](=O)[O-])cc4)n3C)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000100817037 554477259 /nfs/dbraw/zinc/47/72/59/554477259.db2.gz YLUNPDISURTYFL-AREMUKBSSA-N 0 0 615.672 4.141 50 5 KIBARN COc1cccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2C)c1OC ZINC000100817038 554477283 /nfs/dbraw/zinc/47/72/83/554477283.db2.gz ZHMVBTPHUBCWTP-NRFANRHFSA-N 0 0 621.701 4.202 50 5 KIBARN COc1cccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2C)c1OC ZINC000100817040 554477282 /nfs/dbraw/zinc/47/72/82/554477282.db2.gz ZHMVBTPHUBCWTP-OAQYLSRUSA-N 0 0 621.701 4.202 50 5 KIBARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(CNC(=O)Cc3ccccc3)n1-c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000100817259 554477451 /nfs/dbraw/zinc/47/74/51/554477451.db2.gz PBUMDWJYZKHPFC-UHFFFAOYSA-N 0 0 620.713 4.492 50 5 KIBARN COc1ccc(C(=O)C2=C3C(O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@H]3[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000100817907 554477901 /nfs/dbraw/zinc/47/79/01/554477901.db2.gz LSPPNXQHQXAJBH-ZCLKUGBOSA-N 0 0 509.518 4.185 50 5 KIBARN COc1ccc(C(=O)C2=C3C(O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N23)cc1OC ZINC000100818701 554478687 /nfs/dbraw/zinc/47/86/87/554478687.db2.gz RIMILGZKTRPGBM-YFVWJHKLSA-N 0 0 539.544 4.193 50 5 KIBARN COc1cc2c(cc1OC)[C@H](COc1ccc([N+](=O)[O-])cc1)N(C(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)CC2 ZINC000100819019 554478743 /nfs/dbraw/zinc/47/87/43/554478743.db2.gz FTXMCZXLWKAURC-SANMLTNESA-N 0 0 581.647 4.215 50 5 KIBARN COc1cc2c(cc1OC)[C@@H](COc1ccc([N+](=O)[O-])cc1)N(C(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)CC2 ZINC000100819020 554478610 /nfs/dbraw/zinc/47/86/10/554478610.db2.gz FTXMCZXLWKAURC-AREMUKBSSA-N 0 0 581.647 4.215 50 5 KIBARN O=C(CSc1cn(CCNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc12)Nc1ccc2c(c1)OCCO2 ZINC000100820163 554479253 /nfs/dbraw/zinc/47/92/53/554479253.db2.gz CJEWIEDJFVSMFN-UHFFFAOYSA-N 0 0 532.578 4.482 50 5 KIBARN COc1ccc(CCNC(=O)CSc2cn(CCNC(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1OC ZINC000100820164 554479395 /nfs/dbraw/zinc/47/93/95/554479395.db2.gz JBLAWCBNNPVUGD-UHFFFAOYSA-N 0 0 562.648 4.448 50 5 KIBARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N/C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000100823293 554481424 /nfs/dbraw/zinc/48/14/24/554481424.db2.gz UCOUJHRGISDYHS-BIZUNTBRSA-N 0 0 538.404 4.142 50 5 KIBARN CCCCn1c2nc3ccccn3c(=O)c2cc(C(=O)OCC)/c1=N\C(=O)c1ccc(C(F)(F)F)cc1 ZINC000100823302 554481357 /nfs/dbraw/zinc/48/13/57/554481357.db2.gz ZKKWQRQCSDOXGN-DFKUXCBWSA-N 0 0 512.488 4.386 50 5 KIBARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N/C(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000100823305 554481395 /nfs/dbraw/zinc/48/13/95/554481395.db2.gz SNOQRYLAWPAWRF-QFMPWRQOSA-N 0 0 537.016 4.420 50 5 KIBARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N/C(=O)c1ccc(C(F)(F)F)cc1 ZINC000100823306 554481382 /nfs/dbraw/zinc/48/13/82/554481382.db2.gz OSWYHUJEPOMCOS-DFKUXCBWSA-N 0 0 512.488 4.242 50 5 KIBARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N/C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000100823309 554481352 /nfs/dbraw/zinc/48/13/52/554481352.db2.gz JYWKOGHLXRAIGX-KEIPNQJHSA-N 0 0 582.457 4.251 50 5 KIBARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1ccc(F)c(F)c1 ZINC000100823313 554481460 /nfs/dbraw/zinc/48/14/60/554481460.db2.gz UVTJJWRUUANZSJ-QFMPWRQOSA-N 0 0 506.509 4.350 50 5 KIBARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N/C(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000100823321 554481417 /nfs/dbraw/zinc/48/14/17/554481417.db2.gz AJLGKYDWRRZJSN-WGPBWIAQSA-N 0 0 560.994 4.406 50 5 KIBARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N/C(=O)c1ccc(C(F)(F)F)cc1 ZINC000100823322 554481429 /nfs/dbraw/zinc/48/14/29/554481429.db2.gz FWPDRCHQIDBSKU-AWSUPERCSA-N 0 0 536.466 4.227 50 5 KIBARN Cc1nn(-c2ccccc2)c(OC(=O)c2cccc([N+](=O)[O-])c2C)c1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000100824132 554481770 /nfs/dbraw/zinc/48/17/70/554481770.db2.gz OUAIYPAELXFULH-UHFFFAOYSA-N 0 0 522.495 4.358 50 5 KIBARN Cc1nn(-c2ccccc2)c(OC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000100824134 554481745 /nfs/dbraw/zinc/48/17/45/554481745.db2.gz TWMVBRGFKBZQGV-UHFFFAOYSA-N 0 0 522.495 4.358 50 5 KIBARN COc1cc(OC)cc(C(=O)Oc2c(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(C)nn2-c2ccccc2)c1 ZINC000100824135 554481757 /nfs/dbraw/zinc/48/17/57/554481757.db2.gz ITEYAAICKMLLHR-UHFFFAOYSA-N 0 0 523.523 4.158 50 5 KIBARN COc1cccc(C(=O)Oc2c(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(C)nn2-c2ccccc2)c1OC ZINC000100824136 554481740 /nfs/dbraw/zinc/48/17/40/554481740.db2.gz PUHUVCZITDPTCF-UHFFFAOYSA-N 0 0 523.523 4.158 50 5 KIBARN COc1ccc(C(=O)Oc2c(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(C)nn2-c2ccccc2)cc1OC ZINC000100824137 554481729 /nfs/dbraw/zinc/48/17/29/554481729.db2.gz LPYOGNDESVMKSA-UHFFFAOYSA-N 0 0 523.523 4.158 50 5 KIBARN COc1ccc(C(=O)Oc2c(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(C)nn2-c2ccccc2)c(OC)c1 ZINC000100824142 554481736 /nfs/dbraw/zinc/48/17/36/554481736.db2.gz CRFLUYWWNKVIBC-UHFFFAOYSA-N 0 0 523.523 4.158 50 5 KIBARN CS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000100825741 554482003 /nfs/dbraw/zinc/48/20/03/554482003.db2.gz ICMLFCIOFRUVGS-QFIPXVFZSA-N 0 0 535.003 4.160 50 5 KIBARN CS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000100825743 554481974 /nfs/dbraw/zinc/48/19/74/554481974.db2.gz ICMLFCIOFRUVGS-JOCHJYFZSA-N 0 0 535.003 4.160 50 5 KIBARN CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000100826164 554481999 /nfs/dbraw/zinc/48/19/99/554481999.db2.gz BJLHZWATVWWLOE-DEOSSOPVSA-N 0 0 528.612 4.205 50 5 KIBARN CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000100826167 554481957 /nfs/dbraw/zinc/48/19/57/554481957.db2.gz BJLHZWATVWWLOE-XMMPIXPASA-N 0 0 528.612 4.205 50 5 KIBARN CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3ccc(F)cc3)[C@H](c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000100826174 554482325 /nfs/dbraw/zinc/48/23/25/554482325.db2.gz HUVKLOGXLMKWFO-QHCPKHFHSA-N 0 0 532.575 4.036 50 5 KIBARN CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3ccc(F)cc3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000100826177 554482266 /nfs/dbraw/zinc/48/22/66/554482266.db2.gz HUVKLOGXLMKWFO-HSZRJFAPSA-N 0 0 532.575 4.036 50 5 KIBARN Cc1ccc2nc3c(cc(S(=O)(=O)c4ccc(Cl)cc4)c(=N)n3CCc3ccccc3)c(=O)n2c1 ZINC000100826345 554482295 /nfs/dbraw/zinc/48/22/95/554482295.db2.gz QSYGKPLBCVPGDN-UHFFFAOYSA-N 0 0 504.999 4.166 50 5 KIBARN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C(=C(C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]23)C1O ZINC000100838380 554485756 /nfs/dbraw/zinc/48/57/56/554485756.db2.gz YDJOMMZUXPHZHJ-NDBXHCKUSA-N 0 0 524.489 4.210 50 5 KIBARN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C(=C(C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@H]23)C1O ZINC000100838383 554485922 /nfs/dbraw/zinc/48/59/22/554485922.db2.gz YDJOMMZUXPHZHJ-LIONHTAISA-N 0 0 524.489 4.210 50 5 KIBARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c(=O)n32)cc1 ZINC000100838680 554486548 /nfs/dbraw/zinc/48/65/48/554486548.db2.gz YAISMFVZHAKXGC-GVMLUORFSA-N 0 0 559.600 4.364 50 5 KIBARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c(=O)n32)cc1 ZINC000100838683 554486535 /nfs/dbraw/zinc/48/65/35/554486535.db2.gz YAISMFVZHAKXGC-KMBIYUNPSA-N 0 0 559.600 4.364 50 5 KIBARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)c(=O)n32)cc1 ZINC000100838713 554486497 /nfs/dbraw/zinc/48/64/97/554486497.db2.gz XAZRAVIPUKNFHX-GVMLUORFSA-N 0 0 559.600 4.364 50 5 KIBARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)c(=O)n32)cc1 ZINC000100838715 554486541 /nfs/dbraw/zinc/48/65/41/554486541.db2.gz XAZRAVIPUKNFHX-KMBIYUNPSA-N 0 0 559.600 4.364 50 5 KIBARN COc1ccc(OC)c(-n2c(CNC(=O)c3cccc([N+](=O)[O-])c3C)nnc2SCC(=O)Nc2ccc(F)cc2)c1 ZINC000100840294 554488536 /nfs/dbraw/zinc/48/85/36/554488536.db2.gz UHJDZHAUFZKYEU-UHFFFAOYSA-N 0 0 580.598 4.301 50 5 KIBARN CCOc1ccc(-n2c(CNC(=O)c3cccc([N+](=O)[O-])c3C)nnc2SCC(=O)N2CCc3ccccc32)cc1 ZINC000100840297 554488479 /nfs/dbraw/zinc/48/84/79/554488479.db2.gz GSRPZSBPXWZKHU-UHFFFAOYSA-N 0 0 572.647 4.494 50 5 KIBARN COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000100841329 554489394 /nfs/dbraw/zinc/48/93/94/554489394.db2.gz BYGRCQHXAQHEIT-XXMKCSCWSA-N 0 0 580.018 4.246 50 5 KIBARN COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000100841331 554489516 /nfs/dbraw/zinc/48/95/16/554489516.db2.gz BYGRCQHXAQHEIT-XSZPGNIMSA-N 0 0 580.018 4.246 50 5 KIBARN COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000100841372 554489518 /nfs/dbraw/zinc/48/95/18/554489518.db2.gz DZUSYHKUVKCYCN-XXMKCSCWSA-N 0 0 580.018 4.246 50 5 KIBARN COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000100841373 554489430 /nfs/dbraw/zinc/48/94/30/554489430.db2.gz DZUSYHKUVKCYCN-XSZPGNIMSA-N 0 0 580.018 4.246 50 5 KIBARN COc1ccc([N+](=O)[O-])cc1-n1c(O)c2c(-c3ccc(Br)cc3)nn(-c3ccccc3)c2c1O ZINC000100841657 554489491 /nfs/dbraw/zinc/48/94/91/554489491.db2.gz RSNFWRSXIRZHGG-IRLDBZIGSA-N 0 0 521.327 4.148 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cccs1 ZINC000100842403 554489963 /nfs/dbraw/zinc/48/99/63/554489963.db2.gz SHMPKSNSVRWDEB-WVWKGNOCSA-N 0 0 521.576 4.028 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cccs1 ZINC000100842405 554489946 /nfs/dbraw/zinc/48/99/46/554489946.db2.gz SHMPKSNSVRWDEB-IMEWXKHHSA-N 0 0 521.576 4.028 50 5 KIBARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccc(C)cc4)nn3c2=O)cc1[N+](=O)[O-] ZINC000100847548 554491538 /nfs/dbraw/zinc/49/15/38/554491538.db2.gz UGIHXRGZALUCOL-IWIPYMOSSA-N 0 0 536.573 4.444 50 5 KIBARN COc1ccc(-c2nc3s/c(=C\c4cn(-c5ccccc5)nc4-c4cccc([N+](=O)[O-])c4)c(=O)n3n2)cc1 ZINC000100847630 554491488 /nfs/dbraw/zinc/49/14/88/554491488.db2.gz DUWFLHDSBXOCOD-HAHDFKILSA-N 0 0 522.546 4.135 50 5 KIBARN Cc1ccc(Cn2c(=N)c(S(=O)(=O)c3ccc(Cl)cc3)cc3c2nc2c(C)cccn2c3=O)cc1 ZINC000100851444 554492836 /nfs/dbraw/zinc/49/28/36/554492836.db2.gz JSUCRJJJXSCVJH-UHFFFAOYSA-N 0 0 504.999 4.280 50 5 KIBARN Cc1ccc(Cn2c(=N)c(S(=O)(=O)c3ccc(Cl)cc3)cc3c2nc2ccc(C)cn2c3=O)cc1 ZINC000100851571 554492746 /nfs/dbraw/zinc/49/27/46/554492746.db2.gz XTGNOOUYXRCQPX-UHFFFAOYSA-N 0 0 504.999 4.280 50 5 KIBARN O=C(CCCCn1c(=O)c2ccccc2n(Cc2cccc([N+](=O)[O-])c2)c1=O)NCCc1ccc(Cl)cc1 ZINC000100852587 554492852 /nfs/dbraw/zinc/49/28/52/554492852.db2.gz LODZKLPPWXDDQN-UHFFFAOYSA-N 0 0 535.000 4.302 50 5 KIBARN CN1C(=O)/C(=C\c2nc3ccc(I)cc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000100864286 554496783 /nfs/dbraw/zinc/49/67/83/554496783.db2.gz AAHFVWVJUITJOB-AQTBWJFISA-N 0 0 550.312 4.416 50 5 KIBARN CC(=O)c1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4cccc([N+](=O)[O-])c4)N4c5ccccc5C=C[C@H]34)C2O)cc1 ZINC000100887633 554509080 /nfs/dbraw/zinc/50/90/80/554509080.db2.gz ZGETZZNNHXRIDU-POTDNYQPSA-N 0 0 507.502 4.070 50 5 KIBARN COc1ccc(C(=O)C2=C3C(O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1 ZINC000100888610 554509754 /nfs/dbraw/zinc/50/97/54/554509754.db2.gz MQWAIZJUSZVKJB-QUMGSSFMSA-N 0 0 525.517 4.010 50 5 KIBARN COc1ccc(C(=O)C2=C3C(O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@@H]3[C@@H]3c4ccccc4C=CN23)cc1 ZINC000100888615 554509792 /nfs/dbraw/zinc/50/97/92/554509792.db2.gz MQWAIZJUSZVKJB-QYOOZWMWSA-N 0 0 525.517 4.010 50 5 KIBARN Cc1nn(-c2ccccc2)c2nc(Cc3ccc(C)cc3)nc(N3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)c12 ZINC000100890937 554512034 /nfs/dbraw/zinc/51/20/34/554512034.db2.gz OHMMJFOAGKSJRK-UHFFFAOYSA-N 0 0 583.674 4.442 50 5 KIBARN Cc1nn(-c2ccccc2)c2nc(Cc3ccccc3)nc(N3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)c12 ZINC000100891247 554512293 /nfs/dbraw/zinc/51/22/93/554512293.db2.gz ATJNTHINOVMDJL-UHFFFAOYSA-N 0 0 569.647 4.134 50 5 KIBARN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C(=C(C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]23)C1O ZINC000100897874 554514152 /nfs/dbraw/zinc/51/41/52/554514152.db2.gz OPHQUYPJAKIGPB-NDBXHCKUSA-N 0 0 524.489 4.210 50 5 KIBARN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C(=C(C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@H]23)C1O ZINC000100897877 554514064 /nfs/dbraw/zinc/51/40/64/554514064.db2.gz OPHQUYPJAKIGPB-LIONHTAISA-N 0 0 524.489 4.210 50 5 KIBARN CC(=O)c1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4cccc([N+](=O)[O-])c4)N4C=Cc5ccccc5[C@@H]34)C2O)cc1 ZINC000100903409 554515245 /nfs/dbraw/zinc/51/52/45/554515245.db2.gz VEJLLEOZYHEJOX-QYOOZWMWSA-N 0 0 507.502 4.196 50 5 KIBARN N=c1c(C(=O)Nc2nnc(Cc3ccccc3F)s2)cc2c(=O)n3ccccc3nc2n1CCc1ccccc1 ZINC000100903930 554515339 /nfs/dbraw/zinc/51/53/39/554515339.db2.gz XGKDFABFKVGDPQ-UHFFFAOYSA-N 0 0 551.607 4.205 50 5 KIBARN COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1[N+](=O)[O-] ZINC000100907957 554516106 /nfs/dbraw/zinc/51/61/06/554516106.db2.gz BIFKSNWBQFHIFW-QARYAGPDSA-N 0 0 540.557 4.144 50 5 KIBARN COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1[N+](=O)[O-] ZINC000100907962 554516174 /nfs/dbraw/zinc/51/61/74/554516174.db2.gz BIFKSNWBQFHIFW-ZSJKCPIUSA-N 0 0 540.557 4.144 50 5 KIBARN COc1ccc([C@H]2C[C@H](CNC(=O)C3CCN(c4c([N+](=O)[O-])cc(C(F)(F)F)cc4[N+](=O)[O-])CC3)ON2C)cc1 ZINC000100915434 554519724 /nfs/dbraw/zinc/51/97/24/554519724.db2.gz GEOKJAUUTGCLSD-WOJBJXKFSA-N 0 0 567.521 4.240 50 5 KIBARN CN1O[C@@H](CNC(=O)C2CCN(c3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C[C@@H]1c1ccccc1 ZINC000100915457 554519725 /nfs/dbraw/zinc/51/97/25/554519725.db2.gz IJGWXJYKPWJGNX-RTBURBONSA-N 0 0 537.495 4.231 50 5 KIBARN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(Cl)cc3)N3N=Cc4ccccc4[C@@H]23)C1O ZINC000100920179 554521062 /nfs/dbraw/zinc/52/10/62/554521062.db2.gz PMDRROAUXZSIKJ-KIHHCIJBSA-N 0 0 530.924 4.018 50 5 KIBARN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(Cl)cc3)N3N=Cc4ccccc4[C@H]23)C1O ZINC000100920183 554521055 /nfs/dbraw/zinc/52/10/55/554521055.db2.gz PMDRROAUXZSIKJ-KEZOAJOQSA-N 0 0 530.924 4.018 50 5 KIBARN COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1[N+](=O)[O-] ZINC000100954069 554538423 /nfs/dbraw/zinc/53/84/23/554538423.db2.gz BIFKSNWBQFHIFW-KEQCBNTKSA-N 0 0 540.557 4.144 50 5 KIBARN COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1[N+](=O)[O-] ZINC000100954073 554538406 /nfs/dbraw/zinc/53/84/06/554538406.db2.gz BIFKSNWBQFHIFW-JAYSWQADSA-N 0 0 540.557 4.144 50 5 KIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 ZINC000100967653 554543341 /nfs/dbraw/zinc/54/33/41/554543341.db2.gz OFSSHTWKXANFPL-YCAMKHIRSA-N 0 0 514.925 4.277 50 5 KIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N12 ZINC000100971487 554543845 /nfs/dbraw/zinc/54/38/45/554543845.db2.gz LFDJABJOWZRAMW-NEWJYFPISA-N 0 0 514.925 4.277 50 5 KIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc3c(c2)OCO3)s1 ZINC000100976231 554547032 /nfs/dbraw/zinc/54/70/32/554547032.db2.gz STVMMYYTHSLBDB-IBGZPJMESA-N 0 0 532.538 4.214 50 5 KIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc3c(c2)OCO3)s1 ZINC000100976234 554546997 /nfs/dbraw/zinc/54/69/97/554546997.db2.gz STVMMYYTHSLBDB-LJQANCHMSA-N 0 0 532.538 4.214 50 5 KIBARN CC(=O)Oc1ccc(C(=O)C2=C3C(O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]3[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000100978770 554547444 /nfs/dbraw/zinc/54/74/44/554547444.db2.gz CFIFQVFEOMZXOE-YIPNQBBMSA-N 0 0 537.528 4.101 50 5 KIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 ZINC000100989674 554549900 /nfs/dbraw/zinc/54/99/00/554549900.db2.gz ICJHQWJPYHPIFN-YCAMKHIRSA-N 0 0 514.925 4.277 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000101019452 554561335 /nfs/dbraw/zinc/56/13/35/554561335.db2.gz KYFUZTFZFVBVRG-SUAMDDGLSA-N 0 0 616.608 4.416 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000101019454 554561278 /nfs/dbraw/zinc/56/12/78/554561278.db2.gz KYFUZTFZFVBVRG-MFCBUNOESA-N 0 0 616.608 4.416 50 5 KIBARN Cc1cccn2c1nc1c(cc(S(=O)(=O)c3ccc(Br)cc3)c(=N)n1CCc1ccccc1)c2=O ZINC000101031710 554565124 /nfs/dbraw/zinc/56/51/24/554565124.db2.gz FZBBMYFESKCYNP-UHFFFAOYSA-N 0 0 549.450 4.275 50 5 KIBARN O=C(Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccccc3[N+](=O)[O-])co2)s1)c1cccs1 ZINC000101036558 554565505 /nfs/dbraw/zinc/56/55/05/554565505.db2.gz GKKQIBVREOUKFK-UHFFFAOYSA-N 0 0 516.538 4.225 50 5 KIBARN O=C(Nc1nnc(SCc2cc(=O)c(OC(=O)c3cccc([N+](=O)[O-])c3)co2)s1)c1cccs1 ZINC000101036560 554565526 /nfs/dbraw/zinc/56/55/26/554565526.db2.gz FWPYGKOCCSOVFZ-UHFFFAOYSA-N 0 0 516.538 4.225 50 5 KIBARN O=C(Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc([N+](=O)[O-])cc3)co2)s1)c1cccs1 ZINC000101036562 554565534 /nfs/dbraw/zinc/56/55/34/554565534.db2.gz KEASWMIEEXOQNI-UHFFFAOYSA-N 0 0 516.538 4.225 50 5 KIBARN CC[C@@H](C)n1c(=N)c(S(=O)(=O)c2ccc(Br)cc2)cc2c1nc1c(C)cccn1c2=O ZINC000101037529 554567012 /nfs/dbraw/zinc/56/70/12/554567012.db2.gz TTZYKKOPOJKHNI-CQSZACIVSA-N 0 0 501.406 4.003 50 5 KIBARN CC[C@H](C)n1c(=N)c(S(=O)(=O)c2ccc(Br)cc2)cc2c1nc1c(C)cccn1c2=O ZINC000101037531 554567084 /nfs/dbraw/zinc/56/70/84/554567084.db2.gz TTZYKKOPOJKHNI-AWEZNQCLSA-N 0 0 501.406 4.003 50 5 KIBARN N=c1c(S(=O)(=O)c2ccc(Cl)cc2)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1Cl ZINC000101060387 554570232 /nfs/dbraw/zinc/57/02/32/554570232.db2.gz WNTDABQWEZZSMI-UHFFFAOYSA-N 0 0 511.390 4.317 50 5 KIBARN Cc1cc([N+](=O)[O-])ccc1N1C(=O)C2=C(c3ccc(Br)cc3)NN(c3ccccc3)[C@@H]2C1=O ZINC000101070636 554574974 /nfs/dbraw/zinc/57/49/74/554574974.db2.gz GPEIUVFPXJHHIO-UNMCSNQZSA-N 0 0 505.328 4.448 50 5 KIBARN Cc1ccc(Cn2c(=N)c(S(=O)(=O)c3ccc(Br)cc3)cc3c2nc2ccccn2c3=O)cc1 ZINC000101074977 554576964 /nfs/dbraw/zinc/57/69/64/554576964.db2.gz SCNSZTWMKPGRBS-UHFFFAOYSA-N 0 0 535.423 4.081 50 5 KIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N12 ZINC000101077166 554577840 /nfs/dbraw/zinc/57/78/40/554577840.db2.gz JIELLSOSXQTUFY-NEWJYFPISA-N 0 0 559.376 4.386 50 5 KIBARN N=c1c(S(=O)(=O)c2ccc(Br)cc2)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1Cl ZINC000101082952 554579722 /nfs/dbraw/zinc/57/97/22/554579722.db2.gz ZYUBQQFTQYLAOD-UHFFFAOYSA-N 0 0 555.841 4.426 50 5 KIBARN Cc1cccn2c1nc1c(cc(S(=O)(=O)c3ccc(Br)cc3)c(=N)n1Cc1ccccc1)c2=O ZINC000101083702 554579967 /nfs/dbraw/zinc/57/99/67/554579967.db2.gz GSNGFLBIBXVZFH-UHFFFAOYSA-N 0 0 535.423 4.081 50 5 KIBARN Cc1ccc(Cn2c(=N)c(S(=O)(=O)c3ccc(Br)cc3)cc3c2nc2c(C)cccn2c3=O)cc1 ZINC000101089116 554581123 /nfs/dbraw/zinc/58/11/23/554581123.db2.gz UVEXMGQYHYRDQV-UHFFFAOYSA-N 0 0 549.450 4.389 50 5 KIBARN O=C1C[C@@H](N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000101091587 554582856 /nfs/dbraw/zinc/58/28/56/554582856.db2.gz LJPXYXKSFWCMPS-GOSISDBHSA-N 0 0 517.291 4.375 50 5 KIBARN CCCCCCn1c(=N)c(S(=O)(=O)c2ccc(Br)cc2)cc2c1nc1ccccn1c2=O ZINC000101095138 554584211 /nfs/dbraw/zinc/58/42/11/554584211.db2.gz UEDUQWZJCPXGFA-UHFFFAOYSA-N 0 0 515.433 4.304 50 5 KIBARN Cc1cccn2c1nc1c(cc(S(=O)(=O)c3ccc(Cl)cc3)c(=N)n1Cc1ccc(F)cc1)c2=O ZINC000101095779 554584692 /nfs/dbraw/zinc/58/46/92/554584692.db2.gz HMEOBJWOVBRGQD-UHFFFAOYSA-N 0 0 508.962 4.111 50 5 KIBARN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=CN2[C@@H]3C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000101099943 554586888 /nfs/dbraw/zinc/58/68/88/554586888.db2.gz QXBJMINUKGUESN-NDBXHCKUSA-N 0 0 544.951 4.411 50 5 KIBARN COc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(Cl)c([N+](=O)[O-])c4)N4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000101099946 554586870 /nfs/dbraw/zinc/58/68/70/554586870.db2.gz QXBJMINUKGUESN-LIONHTAISA-N 0 0 544.951 4.411 50 5 KIBARN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000101100680 554587661 /nfs/dbraw/zinc/58/76/61/554587661.db2.gz FYPNFKXDECGYAK-VSKRKVRLSA-N 0 0 540.326 4.123 50 5 KIBARN COc1ccc(CCn2c(=N)c(C(=O)N[C@@H](C)c3ccccc3)cc3c2nc2c(C)cccn2c3=O)cc1OC ZINC000101103168 554639203 /nfs/dbraw/zinc/63/92/03/554639203.db2.gz LMDBLILZXQVMIS-FQEVSTJZSA-N 0 0 537.620 4.188 50 5 KIBARN COc1ccc(CCn2c(=N)c(C(=O)N[C@H](C)c3ccccc3)cc3c2nc2c(C)cccn2c3=O)cc1OC ZINC000101103169 554639212 /nfs/dbraw/zinc/63/92/12/554639212.db2.gz LMDBLILZXQVMIS-HXUWFJFHSA-N 0 0 537.620 4.188 50 5 KIBARN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc4c(c3)OCO4)N3C=Cc4ccccc4[C@@H]23)C1O ZINC000101115384 554642858 /nfs/dbraw/zinc/64/28/58/554642858.db2.gz OGDFZUCTTIDXJD-QYOOZWMWSA-N 0 0 523.501 4.030 50 5 KIBARN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc4c(c3)OCO4)N3C=Cc4ccccc4[C@H]23)C1O ZINC000101115388 554642831 /nfs/dbraw/zinc/64/28/31/554642831.db2.gz OGDFZUCTTIDXJD-QUMGSSFMSA-N 0 0 523.501 4.030 50 5 KIBARN Cc1cccn2c1nc1c(cc(C(=O)NCc3ccccc3Cl)c(=N)n1Cc1ccc(F)cc1)c2=O ZINC000101116049 554643166 /nfs/dbraw/zinc/64/31/66/554643166.db2.gz VEZFFEMKLLLLGA-UHFFFAOYSA-N 0 0 501.949 4.208 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)c(Cl)c3)c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000101123835 554644056 /nfs/dbraw/zinc/64/40/56/554644056.db2.gz QANTZUBOBNWZKL-ACEGTKJHSA-N 0 0 518.378 4.013 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)c(Cl)c3)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000101123837 554644125 /nfs/dbraw/zinc/64/41/25/554644125.db2.gz QANTZUBOBNWZKL-CYEGBWLXSA-N 0 0 518.378 4.013 50 5 KIBARN COc1ccc(CCn2c(=N)c(S(=O)(=O)c3ccc(Cl)cc3)cc3c2nc2c(C)cccn2c3=O)cc1 ZINC000101124086 554644667 /nfs/dbraw/zinc/64/46/67/554644667.db2.gz PUZTZBCGWAKGRM-UHFFFAOYSA-N 0 0 535.025 4.175 50 5 KIBARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000101126027 554645178 /nfs/dbraw/zinc/64/51/78/554645178.db2.gz LJQNYGCQFZJHGA-ZLNRFVROSA-N 0 0 509.902 4.317 50 5 KIBARN COC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccs1 ZINC000101128314 554646320 /nfs/dbraw/zinc/64/63/20/554646320.db2.gz CJGVUWPFGSXJBA-JYXZFHPPSA-N 0 0 613.677 4.239 50 5 KIBARN COC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccs1 ZINC000101128318 554646673 /nfs/dbraw/zinc/64/66/73/554646673.db2.gz CJGVUWPFGSXJBA-LMVGNEGFSA-N 0 0 613.677 4.239 50 5 KIBARN COC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccs1 ZINC000101128426 554646705 /nfs/dbraw/zinc/64/67/05/554646705.db2.gz VHMHSIFSBGAIMK-RJFKIUDMSA-N 0 0 583.651 4.231 50 5 KIBARN COC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccs1 ZINC000101128429 554646661 /nfs/dbraw/zinc/64/66/61/554646661.db2.gz VHMHSIFSBGAIMK-WPUHHHFCSA-N 0 0 583.651 4.231 50 5 KIBARN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000101128882 554647417 /nfs/dbraw/zinc/64/74/17/554647417.db2.gz JDEKMCAUEFMCIR-ZLNRFVROSA-N 0 0 554.353 4.426 50 5 KIBARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2/sc3nc(-c4ccc(C)cc4)nn3c2=O)cc1[N+](=O)[O-] ZINC000101129639 554648635 /nfs/dbraw/zinc/64/86/35/554648635.db2.gz UGIHXRGZALUCOL-BUVRLJJBSA-N 0 0 536.573 4.444 50 5 KIBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN21 ZINC000101129848 554648792 /nfs/dbraw/zinc/64/87/92/554648792.db2.gz NHIBTDIOQHRSIK-NDBXHCKUSA-N 0 0 528.952 4.398 50 5 KIBARN O=C(Nc1ccccc1C(F)(F)F)c1ccc(NCCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c([N+](=O)[O-])c1 ZINC000101132273 554650502 /nfs/dbraw/zinc/65/05/02/554650502.db2.gz JRYVYQSNTMJJDW-IYBDPMFKSA-N 0 0 504.465 4.453 50 5 KIBARN O=C(Nc1ccccc1C(F)(F)F)c1ccc(NCCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c([N+](=O)[O-])c1 ZINC000101132275 554650569 /nfs/dbraw/zinc/65/05/69/554650569.db2.gz JRYVYQSNTMJJDW-HOTGVXAUSA-N 0 0 504.465 4.453 50 5 KIBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN21 ZINC000101133179 554650745 /nfs/dbraw/zinc/65/07/45/554650745.db2.gz WBRWTURFOHAIIR-NDBXHCKUSA-N 0 0 528.952 4.398 50 5 KIBARN COc1ccc(CCNC(=O)c2cc3c(nc4c(C)cccn4c3=O)n(Cc3ccccc3Cl)c2=N)cc1 ZINC000101136033 554651636 /nfs/dbraw/zinc/65/16/36/554651636.db2.gz HVATXWKHUVFFAU-UHFFFAOYSA-N 0 0 528.012 4.120 50 5 KIBARN O=C(Nc1ccccc1C(F)(F)F)c1ccc(NCCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c([N+](=O)[O-])c1 ZINC000101142039 554653677 /nfs/dbraw/zinc/65/36/77/554653677.db2.gz WYRCGAGVKQIRBR-IYBDPMFKSA-N 0 0 502.449 4.229 50 5 KIBARN O=C(Nc1ccccc1C(F)(F)F)c1ccc(NCCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c([N+](=O)[O-])c1 ZINC000101142040 554653665 /nfs/dbraw/zinc/65/36/65/554653665.db2.gz WYRCGAGVKQIRBR-HOTGVXAUSA-N 0 0 502.449 4.229 50 5 KIBARN O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000101144622 554655673 /nfs/dbraw/zinc/65/56/73/554655673.db2.gz BMQHKZUCCHNDOQ-CALCHBBNSA-N 0 0 504.326 4.317 50 5 KIBARN COc1ccc(CCNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@H+](Cc4ccc(Cl)cc4)C[C@H]23)cc1 ZINC000101145425 554655927 /nfs/dbraw/zinc/65/59/27/554655927.db2.gz IAXSAEPYNUPFRD-IXCJQBJRSA-N 0 0 535.044 4.479 50 5 KIBARN COc1ccc(CCNC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@H+](Cc4ccc(Cl)cc4)C[C@H]23)cc1 ZINC000101145428 554655891 /nfs/dbraw/zinc/65/58/91/554655891.db2.gz IAXSAEPYNUPFRD-XTEPFMGCSA-N 0 0 535.044 4.479 50 5 KIBARN C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@@H]21 ZINC000101146261 554656097 /nfs/dbraw/zinc/65/60/97/554656097.db2.gz UVEZOLWJGBQGNB-LZHZSBQWSA-N 0 0 516.337 4.339 50 5 KIBARN Cc1cccc(NS(=O)(=O)c2ccc(N3C(=O)c4cccc5c(NCCO)c([N+](=O)[O-])cc(c45)C3=O)cc2)c1 ZINC000101148901 554656775 /nfs/dbraw/zinc/65/67/75/554656775.db2.gz GNXJLWOKHRBTLH-UHFFFAOYSA-N 0 0 546.561 4.062 50 5 KIBARN COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c1 ZINC000101159115 554659361 /nfs/dbraw/zinc/65/93/61/554659361.db2.gz XXNYYPINKCEHAO-VSKRKVRLSA-N 0 0 524.327 4.417 50 5 KIBARN COc1ccc(CCn2c(=N)c(C(=O)N[C@@H](C)c3ccccc3)cc3c2nc2c(C)cccn2c3=O)cc1 ZINC000101164200 554660841 /nfs/dbraw/zinc/66/08/41/554660841.db2.gz VVFAGIGSVKHCBD-FQEVSTJZSA-N 0 0 507.594 4.179 50 5 KIBARN COc1ccc(CCn2c(=N)c(C(=O)N[C@H](C)c3ccccc3)cc3c2nc2c(C)cccn2c3=O)cc1 ZINC000101164203 554660807 /nfs/dbraw/zinc/66/08/07/554660807.db2.gz VVFAGIGSVKHCBD-HXUWFJFHSA-N 0 0 507.594 4.179 50 5 KIBARN COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000101165169 554660825 /nfs/dbraw/zinc/66/08/25/554660825.db2.gz JFFLXPGBKYMXLG-LIONHTAISA-N 0 0 544.951 4.411 50 5 KIBARN COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN21 ZINC000101165171 554660802 /nfs/dbraw/zinc/66/08/02/554660802.db2.gz JFFLXPGBKYMXLG-NDBXHCKUSA-N 0 0 544.951 4.411 50 5 KIBARN COc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1c3ccccc3C=CN1[C@@H]2C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000101165739 554661063 /nfs/dbraw/zinc/66/10/63/554661063.db2.gz RNFZWLJSTLRXID-NDBXHCKUSA-N 0 0 544.951 4.411 50 5 KIBARN COc1ccccc1N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000101165743 554660982 /nfs/dbraw/zinc/66/09/82/554660982.db2.gz RNFZWLJSTLRXID-LIONHTAISA-N 0 0 544.951 4.411 50 5 KIBARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N\C(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC000101176821 554664742 /nfs/dbraw/zinc/66/47/42/554664742.db2.gz NFKBPYRQZSVJHZ-MKFPQRGTSA-N 0 0 593.999 4.359 50 5 KIBARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000101177195 554665031 /nfs/dbraw/zinc/66/50/31/554665031.db2.gz IXNHZEIZQZEOJH-JJKYIXSRSA-N 0 0 522.989 4.345 50 5 KIBARN CCCCOc1ccc(C(=O)/N=c2\c(C(=O)OCC)cc3c(=O)n4ccccc4nc3n2Cc2ccco2)cc1 ZINC000101177282 554665256 /nfs/dbraw/zinc/66/52/56/554665256.db2.gz NRLARBXZIBLORF-QVAGMWBUSA-N 0 0 540.576 4.387 50 5 KIBARN COc1ccc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1Br ZINC000101180511 554666885 /nfs/dbraw/zinc/66/68/85/554666885.db2.gz ZVLJIPOFYVHUDN-ZLNRFVROSA-N 0 0 538.354 4.413 50 5 KIBARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4cccc([N+](=O)[O-])c4C)n3C)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000101182662 554668054 /nfs/dbraw/zinc/66/80/54/554668054.db2.gz METXIQAIYZXZML-MHZLTWQESA-N 0 0 629.699 4.449 50 5 KIBARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4cccc([N+](=O)[O-])c4C)n3C)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000101182664 554668059 /nfs/dbraw/zinc/66/80/59/554668059.db2.gz METXIQAIYZXZML-HHHXNRCGSA-N 0 0 629.699 4.449 50 5 KIBARN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000101186339 554669229 /nfs/dbraw/zinc/66/92/29/554669229.db2.gz FEIXJYOIIGFHJV-SDHSZQHLSA-N 0 0 503.511 4.443 50 5 KIBARN COc1ccc(Br)cc1[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000101194755 554672051 /nfs/dbraw/zinc/67/20/51/554672051.db2.gz HNVLDXYMDUHYGF-VSKRKVRLSA-N 0 0 524.327 4.417 50 5 KIBARN COc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000101195671 554672062 /nfs/dbraw/zinc/67/20/62/554672062.db2.gz ISSDIPITAAKRBO-UHFFFAOYSA-N 0 0 554.028 4.346 50 5 KIBARN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc(Br)c1O ZINC000101201613 554672759 /nfs/dbraw/zinc/67/27/59/554672759.db2.gz XFVBHBUBBGWURV-SJBKTWHCSA-N 0 0 540.326 4.123 50 5 KIBARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000101222259 554687384 /nfs/dbraw/zinc/68/73/84/554687384.db2.gz JKHDSYGWXDPJOK-LGVFNWMJSA-N 0 0 539.928 4.325 50 5 KIBARN CCOc1ccc([C@@H]2[C@H](C(=O)Nc3cc([N+](=O)[O-])ccc3OC)c3ccccc3C(=O)N2CCN2CCOCC2)cc1 ZINC000101224468 554688437 /nfs/dbraw/zinc/68/84/37/554688437.db2.gz BTUQPSHMEDSOGO-FQLXRVMXSA-N 0 0 574.634 4.254 50 5 KIBARN CCOc1ccc([C@H]2[C@H](C(=O)Nc3cc([N+](=O)[O-])ccc3OC)c3ccccc3C(=O)N2CCN2CCOCC2)cc1 ZINC000101224472 554688416 /nfs/dbraw/zinc/68/84/16/554688416.db2.gz BTUQPSHMEDSOGO-WDYNHAJCSA-N 0 0 574.634 4.254 50 5 KIBARN CCOc1ccc([C@@H]2[C@@H](C(=O)Nc3cc([N+](=O)[O-])ccc3OC)c3ccccc3C(=O)N2CCN2CCOCC2)cc1 ZINC000101224478 554688374 /nfs/dbraw/zinc/68/83/74/554688374.db2.gz BTUQPSHMEDSOGO-URLMMPGGSA-N 0 0 574.634 4.254 50 5 KIBARN CCOc1ccc([C@H]2[C@@H](C(=O)Nc3cc([N+](=O)[O-])ccc3OC)c3ccccc3C(=O)N2CCN2CCOCC2)cc1 ZINC000101224483 554688442 /nfs/dbraw/zinc/68/84/42/554688442.db2.gz BTUQPSHMEDSOGO-VMPREFPWSA-N 0 0 574.634 4.254 50 5 KIBARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000101226566 554688904 /nfs/dbraw/zinc/68/89/04/554688904.db2.gz UFSNNNOBEIVFME-LGVFNWMJSA-N 0 0 539.928 4.325 50 5 KIBARN CCOC(=O)c1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc([N+](=O)[O-])cc4)N4C=Cc5ccccc5[C@@H]34)C2O)cc1 ZINC000101231546 554689412 /nfs/dbraw/zinc/68/94/12/554689412.db2.gz JNQMUKCDYNLRIY-QYOOZWMWSA-N 0 0 537.528 4.170 50 5 KIBARN CCOC(=O)c1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc([N+](=O)[O-])cc4)N4C=Cc5ccccc5[C@H]34)C2O)cc1 ZINC000101231549 554689453 /nfs/dbraw/zinc/68/94/53/554689453.db2.gz JNQMUKCDYNLRIY-QUMGSSFMSA-N 0 0 537.528 4.170 50 5 KIBARN N=c1c(C(=O)NCc2ccccc2Cl)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1Cl ZINC000101237064 554691732 /nfs/dbraw/zinc/69/17/32/554691732.db2.gz IWEDLMWHHCSJAT-UHFFFAOYSA-N 0 0 504.377 4.414 50 5 KIBARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1Br ZINC000101240876 554693165 /nfs/dbraw/zinc/69/31/65/554693165.db2.gz SITBJMVEILNJBS-VSKRKVRLSA-N 0 0 524.327 4.417 50 5 KIBARN COc1cc([C@@H]2c3c(O)n(-c4ccc(C)cc4C)c(O)c3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000101249861 554694113 /nfs/dbraw/zinc/69/41/13/554694113.db2.gz RJBSDGADCGPIIN-GVAUOCQISA-N 0 0 503.511 4.280 50 5 KIBARN COc1ccc(CCn2c(=N)c(C(=O)NCc3ccccc3Cl)cc3c2nc2c(C)cccn2c3=O)cc1 ZINC000101252357 554694212 /nfs/dbraw/zinc/69/42/12/554694212.db2.gz QNUNCJCPQFQDAR-UHFFFAOYSA-N 0 0 528.012 4.272 50 5 KIBARN N=c1c(S(=O)(=O)c2ccc(Cl)cc2)cc2c(=O)n3ccccc3nc2n1Cc1ccc(Cl)cc1 ZINC000101309025 554716556 /nfs/dbraw/zinc/71/65/56/554716556.db2.gz QVSCQFHIRGXEIP-UHFFFAOYSA-N 0 0 511.390 4.317 50 5 KIBARN O=C([O-])[C@]1(Cc2ccccc2)[NH2+][C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]21 ZINC000101314483 554722695 /nfs/dbraw/zinc/72/26/95/554722695.db2.gz MEKGRGGJTWTHPP-IMIIHFCZSA-N 0 0 540.359 4.418 50 5 KIBARN O=C([O-])[C@@]1(Cc2ccccc2)[NH2+][C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]21 ZINC000101314484 554722707 /nfs/dbraw/zinc/72/27/07/554722707.db2.gz MEKGRGGJTWTHPP-MSZDEVHKSA-N 0 0 540.359 4.418 50 5 KIBARN O=C([O-])[C@]1(Cc2ccccc2)[NH2+][C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]21 ZINC000101314485 554722646 /nfs/dbraw/zinc/72/26/46/554722646.db2.gz MEKGRGGJTWTHPP-OYSWMMLKSA-N 0 0 540.359 4.418 50 5 KIBARN O=C([O-])[C@@]1(Cc2ccccc2)[NH2+][C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]21 ZINC000101314486 554722635 /nfs/dbraw/zinc/72/26/35/554722635.db2.gz MEKGRGGJTWTHPP-YGWSKSRPSA-N 0 0 540.359 4.418 50 5 KIBARN O=C(Cc1ccc(-n2c(=O)c3sccc3n(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1)NCc1ccccc1 ZINC000101319630 554727127 /nfs/dbraw/zinc/72/71/27/554727127.db2.gz UQGWTLJAIXOVRH-UHFFFAOYSA-N 0 0 526.574 4.029 50 5 KIBARN Cc1ccc(CNC(=O)Cc2ccc(-n3c(=O)c4sccc4n(Cc4ccc([N+](=O)[O-])cc4)c3=O)cc2)cc1 ZINC000101320063 554727659 /nfs/dbraw/zinc/72/76/59/554727659.db2.gz JYYDRTWGTUYFCR-UHFFFAOYSA-N 0 0 540.601 4.338 50 5 KIBARN COc1ccc(CCNC(=O)c2ccc(Cn3c(=O)c4ccccc4n(Cc4cccc([N+](=O)[O-])c4)c3=O)cc2)cc1OC ZINC000101330116 554730887 /nfs/dbraw/zinc/73/08/87/554730887.db2.gz UKWAQGWZMWUEPD-UHFFFAOYSA-N 0 0 594.624 4.158 50 5 KIBARN COc1ccc(CCNC(=O)c2ccc(Cn3c(=O)c4ccccc4n(Cc4ccc([N+](=O)[O-])cc4)c3=O)cc2)cc1OC ZINC000101330132 554730902 /nfs/dbraw/zinc/73/09/02/554730902.db2.gz IUWXOXLXHKVXHW-UHFFFAOYSA-N 0 0 594.624 4.158 50 5 KIBARN COc1ccccc1CNC(=O)c1ccc(Cn2c(=O)c3ccccc3n(Cc3ccc([N+](=O)[O-])cc3)c2=O)cc1 ZINC000101331737 554732556 /nfs/dbraw/zinc/73/25/56/554732556.db2.gz PAIDBZKBVOAGAI-UHFFFAOYSA-N 0 0 550.571 4.107 50 5 KIBARN O=C(NCCc1ccccc1)C1CCC(Cn2c(=O)c3ccccc3n(Cc3ccc([N+](=O)[O-])cc3)c2=O)CC1 ZINC000101331790 554732862 /nfs/dbraw/zinc/73/28/62/554732862.db2.gz NWRKXLZKSBPGRC-UHFFFAOYSA-N 0 0 540.620 4.285 50 5 KIBARN COc1ccc(Cn2c(=N)c(S(=O)(=O)c3ccc(Br)cc3)cc3c2nc2c(C)cccn2c3=O)cc1 ZINC000101341189 554735642 /nfs/dbraw/zinc/73/56/42/554735642.db2.gz ROCXMYYIKHJQPE-UHFFFAOYSA-N 0 0 565.449 4.089 50 5 KIBARN COc1ccc(CCn2c(=N)c(S(=O)(=O)c3ccc(Br)cc3)cc3c2nc2c(C)cccn2c3=O)cc1OC ZINC000101341226 554735727 /nfs/dbraw/zinc/73/57/27/554735727.db2.gz OQQQWETUDKTLNI-UHFFFAOYSA-N 0 0 609.502 4.292 50 5 KIBARN COc1ccc(CCn2c(=N)c(S(=O)(=O)c3ccc(Cl)cc3)cc3c2nc2c(C)cccn2c3=O)cc1OC ZINC000101341231 554735578 /nfs/dbraw/zinc/73/55/78/554735578.db2.gz YAFDCEAWKIZETM-UHFFFAOYSA-N 0 0 565.051 4.183 50 5 KIBARN COc1ccc(CCn2c(=N)c(S(=O)(=O)c3ccc(Br)cc3)cc3c2nc2c(C)cccn2c3=O)cc1 ZINC000101341255 554735646 /nfs/dbraw/zinc/73/56/46/554735646.db2.gz OFBZNSLKHPKHBJ-UHFFFAOYSA-N 0 0 579.476 4.284 50 5 KIBARN COc1ccc(CCNC(=O)c2cc3c(nc4c(C)cccn4c3=O)n(Cc3ccccc3Cl)c2=N)cc1OC ZINC000101344962 554737139 /nfs/dbraw/zinc/73/71/39/554737139.db2.gz MQOKNCSKDMHWBF-UHFFFAOYSA-N 0 0 558.038 4.128 50 5 KIBARN Cc1cccn2c1nc1c(cc(S(=O)(=O)c3ccc(Br)cc3)c(=N)n1Cc1ccc(F)cc1)c2=O ZINC000101346833 554737401 /nfs/dbraw/zinc/73/74/01/554737401.db2.gz AQLNWWBMKSPTLQ-UHFFFAOYSA-N 0 0 553.413 4.220 50 5 KIBARN COCCn1c(=N)c(-c2nc(-c3cccs3)c(NC(=O)c3ccco3)s2)cc2c1nc1ccccn1c2=O ZINC000101352751 554738754 /nfs/dbraw/zinc/73/87/54/554738754.db2.gz LVLWGVIJLRMUDO-UHFFFAOYSA-N 0 0 544.618 4.472 50 5 KIBARN N=c1c(S(=O)(=O)c2ccc(Br)cc2)cc2c(=O)n3ccccc3nc2n1Cc1ccc(Cl)cc1 ZINC000101355274 554739581 /nfs/dbraw/zinc/73/95/81/554739581.db2.gz MJDYWKOHBONGAJ-UHFFFAOYSA-N 0 0 555.841 4.426 50 5 KIBARN COCCCNC(=O)c1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1N1CCN(c2ccccc2OC)CC1 ZINC000101362007 554743250 /nfs/dbraw/zinc/74/32/50/554743250.db2.gz UQBLQOAYKBDQOS-UHFFFAOYSA-N 0 0 562.627 4.340 50 5 KIBARN O=C(C[C@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O)N1CCN(c2ccccc2)CC1 ZINC000101385693 554749939 /nfs/dbraw/zinc/74/99/39/554749939.db2.gz SNVHKEWWFYLROP-RUZDIDTESA-N 0 0 554.632 4.226 50 5 KIBARN O=C(C[C@@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O)N1CCN(c2ccccc2)CC1 ZINC000101385698 554749957 /nfs/dbraw/zinc/74/99/57/554749957.db2.gz SNVHKEWWFYLROP-VWLOTQADSA-N 0 0 554.632 4.226 50 5 KIBARN COc1cccc(NC(=O)CN2CN(c3ccccc3)C3(CCN(C(=O)c4ccc([N+](=O)[O-])cc4Cl)CC3)C2=O)c1 ZINC000101393897 554756421 /nfs/dbraw/zinc/75/64/21/554756421.db2.gz WEJPBQWPORJCRE-UHFFFAOYSA-N 0 0 578.025 4.177 50 5 KIBARN CC(=O)Nc1ccc(OCCOC(=O)C2=C(C)NC(C)=C(C(=O)OC[C@@H]3CCCO3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000101404881 554761285 /nfs/dbraw/zinc/76/12/85/554761285.db2.gz VRRDXWRTCKCXKD-LSYYVWMOSA-N 0 0 579.606 4.132 50 5 KIBARN CC(=O)Nc1ccc(OCCOC(=O)C2=C(C)NC(C)=C(C(=O)OC[C@@H]3CCCO3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000101404884 554761236 /nfs/dbraw/zinc/76/12/36/554761236.db2.gz VRRDXWRTCKCXKD-LBNVMWSVSA-N 0 0 579.606 4.132 50 5 KIBARN CC(=O)Nc1ccc(OCCOC(=O)C2=C(C)NC(C)=C(C(=O)OC[C@H]3CCCO3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000101404886 554761282 /nfs/dbraw/zinc/76/12/82/554761282.db2.gz VRRDXWRTCKCXKD-NAKRPHOHSA-N 0 0 579.606 4.132 50 5 KIBARN CC(=O)Nc1ccc(OCCOC(=O)C2=C(C)NC(C)=C(C(=O)OC[C@H]3CCCO3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000101404888 554761275 /nfs/dbraw/zinc/76/12/75/554761275.db2.gz VRRDXWRTCKCXKD-LEAFIULHSA-N 0 0 579.606 4.132 50 5 KIBARN COc1ccc(-n2nc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c3c4ccccc4n(C)c3c2=O)cc1Cl ZINC000101409901 554763405 /nfs/dbraw/zinc/76/34/05/554763405.db2.gz RYICTMQFKPGXHB-UHFFFAOYSA-N 0 0 573.009 4.410 50 5 KIBARN COc1cc2nc(SCc3cc(=O)n4ccccc4n3)n3nc(-c4ccc([N+](=O)[O-])cc4)nc3c2cc1OC ZINC000101421171 554767138 /nfs/dbraw/zinc/76/71/38/554767138.db2.gz UPVLQUJSEAYZKI-UHFFFAOYSA-N 0 0 541.549 4.170 50 5 KIBARN COc1cc2nc(SCC(=O)N3CCN(c4ccccc4)CC3)n3nc(-c4ccc([N+](=O)[O-])cc4)nc3c2cc1OC ZINC000101421203 554767124 /nfs/dbraw/zinc/76/71/24/554767124.db2.gz UKUKRDDIBKUJHB-UHFFFAOYSA-N 0 0 585.646 4.311 50 5 KIBARN COc1cc2nc(SCC(=O)N3C[C@H](C)C[C@H](C)C3)n3nc(-c4ccc([N+](=O)[O-])cc4)nc3c2cc1OC ZINC000101421207 554767146 /nfs/dbraw/zinc/76/71/46/554767146.db2.gz UGASDQCKPNHPTE-IYBDPMFKSA-N 0 0 536.614 4.467 50 5 KIBARN COc1cc2nc(SCC(=O)N3C[C@@H](C)C[C@H](C)C3)n3nc(-c4ccc([N+](=O)[O-])cc4)nc3c2cc1OC ZINC000101421212 554767126 /nfs/dbraw/zinc/76/71/26/554767126.db2.gz UGASDQCKPNHPTE-HOTGVXAUSA-N 0 0 536.614 4.467 50 5 KIBARN COc1cc2nc(SCC(=O)N3C[C@H](C)C[C@@H](C)C3)n3nc(-c4ccc([N+](=O)[O-])cc4)nc3c2cc1OC ZINC000101421216 554767072 /nfs/dbraw/zinc/76/70/72/554767072.db2.gz UGASDQCKPNHPTE-HZPDHXFCSA-N 0 0 536.614 4.467 50 5 KIBARN COc1cc2nc(SCc3cc(=O)n4c(C)cccc4n3)n3nc(-c4ccc([N+](=O)[O-])cc4)nc3c2cc1OC ZINC000101421251 554767097 /nfs/dbraw/zinc/76/70/97/554767097.db2.gz ZMVZCOVWGUBBNK-UHFFFAOYSA-N 0 0 555.576 4.479 50 5 KIBARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)n1C)CCCCC2 ZINC000101422193 554767560 /nfs/dbraw/zinc/76/75/60/554767560.db2.gz WRXWNUSFBDPUIA-UHFFFAOYSA-N 0 0 586.696 4.200 50 5 KIBARN COc1ccc(-n2c(=O)c3ccc(C(=O)NCc4ccc(C)cc4)cc3n(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1 ZINC000101432527 554770979 /nfs/dbraw/zinc/77/09/79/554770979.db2.gz KNGZNMYBIHQNFY-UHFFFAOYSA-N 0 0 550.571 4.356 50 5 KIBARN COc1ccc(-n2c(=O)c3ccc(C(=O)NCCc4ccccc4)cc3n(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1 ZINC000101432575 554771049 /nfs/dbraw/zinc/77/10/49/554771049.db2.gz NSXFIDQENIIAAG-UHFFFAOYSA-N 0 0 550.571 4.090 50 5 biogenic KIBARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCCC3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000101443313 554773784 /nfs/dbraw/zinc/77/37/84/554773784.db2.gz YPLUTGVBWMVEKY-LBLGWMPZSA-N 0 0 610.692 4.453 50 5 KIBARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCCC3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000101443315 554773819 /nfs/dbraw/zinc/77/38/19/554773819.db2.gz YPLUTGVBWMVEKY-ZUXOAJPSSA-N 0 0 610.692 4.453 50 5 KIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C/c2ccccc2F)CC1 ZINC000101500562 554788226 /nfs/dbraw/zinc/78/82/26/554788226.db2.gz UQVFHFSDUMRHHV-VQHVLOKHSA-N 0 0 544.561 4.249 50 5 KIBARN COc1ccc(CCNC(=O)CCCc2nnc3n4nc(-c5ccccc5)nc4c4ccccc4n23)cc1OC ZINC000101501443 554788498 /nfs/dbraw/zinc/78/84/98/554788498.db2.gz JTJXCQHGUSAJDZ-UHFFFAOYSA-N 0 0 535.608 4.291 50 5 KIBARN O=C(CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12)N1CCN(c2ccc(F)cc2)CC1 ZINC000101501449 554788470 /nfs/dbraw/zinc/78/84/70/554788470.db2.gz IOTJDFMWIOBAMB-UHFFFAOYSA-N 0 0 534.599 4.403 50 5 KIBARN COc1ccccc1N1CCN(C(=O)CCCc2nnc3n4nc(-c5ccccc5)nc4c4ccccc4n23)CC1 ZINC000101501457 554788439 /nfs/dbraw/zinc/78/84/39/554788439.db2.gz NGNZAHDHNUUDHU-UHFFFAOYSA-N 0 0 546.635 4.272 50 5 KIBARN O=C(CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12)N1CCN(Cc2ccccc2)CC1 ZINC000101501479 554788748 /nfs/dbraw/zinc/78/87/48/554788748.db2.gz SHOFSAQGNYHCBC-UHFFFAOYSA-N 0 0 530.636 4.259 50 5 KIBARN O=C(CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12)N1CCN(c2ccccc2F)CC1 ZINC000101501516 554788731 /nfs/dbraw/zinc/78/87/31/554788731.db2.gz WAHMRONVJGRXSU-UHFFFAOYSA-N 0 0 534.599 4.403 50 5 KIBARN COc1cccc(N2CCN(C(=O)CCCc3nnc4n5nc(-c6ccccc6)nc5c5ccccc5n34)CC2)c1 ZINC000101501528 554788667 /nfs/dbraw/zinc/78/86/67/554788667.db2.gz XQYNYJWDKJYJIJ-UHFFFAOYSA-N 0 0 546.635 4.272 50 5 KIBARN CC(=O)Nc1ccc(OCCOC(=O)C2=C(C)NC(C)=C(C(=O)OC(C)C)[C@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000101509101 554791761 /nfs/dbraw/zinc/79/17/61/554791761.db2.gz NNAJDHNUKIQDHF-SANMLTNESA-N 0 0 537.569 4.362 50 5 KIBARN CC(C)C[C@H]1N[C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]12 ZINC000101509360 554792037 /nfs/dbraw/zinc/79/20/37/554792037.db2.gz IUTMDQGNVXQXJW-LUASENJMSA-N 0 0 570.005 4.328 50 5 KIBARN CC(C)C[C@@H]1N[C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]12 ZINC000101509362 554792048 /nfs/dbraw/zinc/79/20/48/554792048.db2.gz IUTMDQGNVXQXJW-DIKZQZFXSA-N 0 0 570.005 4.328 50 5 KIBARN CC(C)C[C@H]1N[C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]12 ZINC000101509363 554792066 /nfs/dbraw/zinc/79/20/66/554792066.db2.gz IUTMDQGNVXQXJW-RHRDVFBWSA-N 0 0 570.005 4.328 50 5 KIBARN CC(C)C[C@@H]1N[C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]12 ZINC000101509365 554792019 /nfs/dbraw/zinc/79/20/19/554792019.db2.gz IUTMDQGNVXQXJW-OBWDDDHRSA-N 0 0 570.005 4.328 50 5 KIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 ZINC000101520436 554794054 /nfs/dbraw/zinc/79/40/54/554794054.db2.gz UEGVIOWJDSMQJJ-YCAMKHIRSA-N 0 0 559.376 4.386 50 5 KIBARN Cc1c(OCC(=O)N[C@@H](CSCc2ccccc2)C(=O)NC[C@@H]2CCCO2)ccc2c3ccccc3c(=O)oc12 ZINC000101549967 554796415 /nfs/dbraw/zinc/79/64/15/554796415.db2.gz XMKLEVMOQKXPHQ-NVQXNPDNSA-N 0 0 560.672 4.347 50 5 KIBARN Cc1c(OCC(=O)N[C@@H](CSCc2ccccc2)C(=O)NC[C@H]2CCCO2)ccc2c3ccccc3c(=O)oc12 ZINC000101549976 554796475 /nfs/dbraw/zinc/79/64/75/554796475.db2.gz XMKLEVMOQKXPHQ-GJZUVCINSA-N 0 0 560.672 4.347 50 5 KIBARN CC(=O)Oc1ccc(C(=O)C2=C3C(O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@@H]3[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000101589715 554801667 /nfs/dbraw/zinc/80/16/67/554801667.db2.gz CFIFQVFEOMZXOE-YAOOYPAMSA-N 0 0 537.528 4.101 50 5 KIBARN CC(=O)Oc1ccc(C(=O)C2=C3C(O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]3[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000101589719 554801952 /nfs/dbraw/zinc/80/19/52/554801952.db2.gz CFIFQVFEOMZXOE-NFGXINMFSA-N 0 0 537.528 4.101 50 5 KIBARN CC(=O)Oc1ccc(C(=O)C2=C3C(O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N23)cc1 ZINC000101589724 554801903 /nfs/dbraw/zinc/80/19/03/554801903.db2.gz CFIFQVFEOMZXOE-CWTOASCOSA-N 0 0 537.528 4.101 50 5 KIBARN CC(=O)Oc1ccc(C(=O)C2=C3C(O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]3[C@H]3C=Cc4ccccc4N23)cc1 ZINC000101589731 554801953 /nfs/dbraw/zinc/80/19/53/554801953.db2.gz CFIFQVFEOMZXOE-RAVGUYNFSA-N 0 0 537.528 4.101 50 5 KIBARN Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000101618824 554806876 /nfs/dbraw/zinc/80/68/76/554806876.db2.gz GEOIXAAQGQXITK-YRYLYKBFSA-N 0 0 532.525 4.379 50 5 KIBARN Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000101618829 554806921 /nfs/dbraw/zinc/80/69/21/554806921.db2.gz GEOIXAAQGQXITK-VGMNTSGFSA-N 0 0 532.525 4.379 50 5 KIBARN COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000101635942 554812901 /nfs/dbraw/zinc/81/29/01/554812901.db2.gz WCAXJQCCUWVFOI-JLPGSUDCSA-N 0 0 575.603 4.176 50 5 KIBARN O=C(CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O)N1CCN(c2ccccc2)CC1 ZINC000101635951 554812926 /nfs/dbraw/zinc/81/29/26/554812926.db2.gz VPELDWBJKDEKTA-KQWNVCNZSA-N 0 0 545.577 4.167 50 5 KIBARN Cc1c(C(=O)N/C(=C\c2cccc(Cl)c2)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cccc1[N+](=O)[O-] ZINC000101666676 554822596 /nfs/dbraw/zinc/82/25/96/554822596.db2.gz ZETCEHIVNKSGGP-CHFVUIEWSA-N 0 0 532.984 4.135 50 5 biogenic KIBARN COc1cc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O ZINC000101669749 554823006 /nfs/dbraw/zinc/82/30/06/554823006.db2.gz KDQRKIRJGGNYDL-XJUOHMSHSA-N 0 0 554.353 4.118 50 5 KIBARN COC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc([N+](=O)[O-])cc3)N3C=Cc4ccccc4[C@@H]23)C1O ZINC000101670402 554823702 /nfs/dbraw/zinc/82/37/02/554823702.db2.gz BEEMOXPCOZCOQX-KIHHCIJBSA-N 0 0 557.584 4.458 50 5 KIBARN COC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc([N+](=O)[O-])cc3)N3C=Cc4ccccc4[C@H]23)C1O ZINC000101670405 554823723 /nfs/dbraw/zinc/82/37/23/554823723.db2.gz BEEMOXPCOZCOQX-KEZOAJOQSA-N 0 0 557.584 4.458 50 5 KIBARN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O ZINC000101671811 554825360 /nfs/dbraw/zinc/82/53/60/554825360.db2.gz PMOFEUADORFXTM-SJBKTWHCSA-N 0 0 585.323 4.031 50 5 KIBARN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O ZINC000101671821 554825405 /nfs/dbraw/zinc/82/54/05/554825405.db2.gz PMOFEUADORFXTM-VWPQPMDRSA-N 0 0 585.323 4.031 50 5 KIBARN CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O ZINC000101673366 554826921 /nfs/dbraw/zinc/82/69/21/554826921.db2.gz OBCHPPWWIMNPNJ-XPNTWCBSSA-N 0 0 599.350 4.421 50 5 KIBARN CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O ZINC000101673375 554826990 /nfs/dbraw/zinc/82/69/90/554826990.db2.gz OBCHPPWWIMNPNJ-XJUOHMSHSA-N 0 0 599.350 4.421 50 5 KIBARN CCOc1cc(/C=C2\NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000101713420 554832152 /nfs/dbraw/zinc/83/21/52/554832152.db2.gz XPWAHUYCRJGZSE-UCQKPKSFSA-N 0 0 530.537 4.412 50 5 KIBARN CCOc1cc(/C=C2\NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000101713437 554832124 /nfs/dbraw/zinc/83/21/24/554832124.db2.gz GIESBLBBCSDFPG-UCQKPKSFSA-N 0 0 530.537 4.412 50 5 KIBARN COc1ccc(C(=O)C[C@@]2(O)C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)cc1[N+](=O)[O-] ZINC000101789775 554838759 /nfs/dbraw/zinc/83/87/59/554838759.db2.gz DDXKMTBTDMPYHB-VWLOTQADSA-N 0 0 525.355 4.416 50 5 KIBARN COc1ccc(C(=O)C[C@]2(O)C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)cc1[N+](=O)[O-] ZINC000101789780 554838673 /nfs/dbraw/zinc/83/86/73/554838673.db2.gz DDXKMTBTDMPYHB-RUZDIDTESA-N 0 0 525.355 4.416 50 5 KIBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2oc(-c3cccs3)nc2S(=O)(=O)c2ccccc2)CC1 ZINC000101793432 554839045 /nfs/dbraw/zinc/83/90/45/554839045.db2.gz MWTMLSYLHOKDCG-UHFFFAOYSA-N 0 0 524.580 4.107 50 5 KIBARN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000101800989 554839458 /nfs/dbraw/zinc/83/94/58/554839458.db2.gz HCXAJSBJZYSMAG-SDNWHVSQSA-N 0 0 528.565 4.386 50 5 KIBARN Cc1c(C(=O)NCC(C)C)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC1 ZINC000101859609 554844289 /nfs/dbraw/zinc/84/42/89/554844289.db2.gz CLMXNNYCPXOECG-UHFFFAOYSA-N 0 0 541.630 4.325 50 5 KIBARN Cc1c(C(=O)NCC(C)C)nn(-c2cccc(C)c2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC1 ZINC000101859618 554844307 /nfs/dbraw/zinc/84/43/07/554844307.db2.gz KGSDRQVRFYLLRA-UHFFFAOYSA-N 0 0 541.630 4.325 50 5 KIBARN Cc1c(C(=O)NC2CC2)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)C ZINC000101861536 554844538 /nfs/dbraw/zinc/84/45/38/554844538.db2.gz GNVNYRHGJARKMU-UHFFFAOYSA-N 0 0 541.630 4.325 50 5 KIBARN Cc1c(C(=O)NC[C@@H]2CCCO2)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)C ZINC000101861546 554844505 /nfs/dbraw/zinc/84/45/05/554844505.db2.gz XFMFJQMXKZLSLD-QFIPXVFZSA-N 0 0 585.683 4.341 50 5 KIBARN Cc1c(C(=O)NC[C@H]2CCCO2)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)C ZINC000101861549 554844439 /nfs/dbraw/zinc/84/44/39/554844439.db2.gz XFMFJQMXKZLSLD-JOCHJYFZSA-N 0 0 585.683 4.341 50 5 KIBARN Cc1c(C(=O)NC[C@@H]2CCCO2)nn(-c2ccc(C)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)C ZINC000101861568 554844515 /nfs/dbraw/zinc/84/45/15/554844515.db2.gz BHZIMTUWHGTHEQ-QFIPXVFZSA-N 0 0 571.656 4.033 50 5 KIBARN Cc1c(C(=O)NC[C@H]2CCCO2)nn(-c2ccc(C)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)C ZINC000101861570 554844570 /nfs/dbraw/zinc/84/45/70/554844570.db2.gz BHZIMTUWHGTHEQ-JOCHJYFZSA-N 0 0 571.656 4.033 50 5 KIBARN Cc1c(C(=O)NC[C@@H]2CCCO2)nn(-c2cccc(C)c2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)C ZINC000101861594 554844521 /nfs/dbraw/zinc/84/45/21/554844521.db2.gz AQWYPQTVRSDSDB-QFIPXVFZSA-N 0 0 585.683 4.341 50 5 KIBARN Cc1c(C(=O)NC[C@H]2CCCO2)nn(-c2cccc(C)c2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)C ZINC000101861598 554844489 /nfs/dbraw/zinc/84/44/89/554844489.db2.gz AQWYPQTVRSDSDB-JOCHJYFZSA-N 0 0 585.683 4.341 50 5 KIBARN CC(C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cc(C(=O)NCc2cccc(C(F)(F)F)c2)nn1C ZINC000101861630 554844881 /nfs/dbraw/zinc/84/48/81/554844881.db2.gz KKJGRQLKYCHRIY-UHFFFAOYSA-N 0 0 555.535 4.004 50 5 KIBARN COc1ccccc1N1CCN(c2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2C(=O)NC2CC2)CC1 ZINC000101912498 554849854 /nfs/dbraw/zinc/84/98/54/554849854.db2.gz PHKRPPYCSQPASW-UHFFFAOYSA-N 0 0 530.585 4.466 50 5 KIBARN Cc1c(C(=O)N2CCCC2)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)C ZINC000101917685 554850928 /nfs/dbraw/zinc/85/09/28/554850928.db2.gz BOEDNHOVJMMYHG-UHFFFAOYSA-N 0 0 541.630 4.421 50 5 KIBARN Cc1c(C(=O)NC[C@@H]2CCCO2)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)C ZINC000101917703 554850889 /nfs/dbraw/zinc/85/08/89/554850889.db2.gz SVFVXMIGMQCILK-NRFANRHFSA-N 0 0 571.656 4.094 50 5 KIBARN Cc1c(C(=O)NC[C@H]2CCCO2)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)C ZINC000101917707 554850885 /nfs/dbraw/zinc/85/08/85/554850885.db2.gz SVFVXMIGMQCILK-OAQYLSRUSA-N 0 0 571.656 4.094 50 5 KIBARN Cc1c(C(=O)NCc2ccco2)nn(-c2ccc(C)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)C ZINC000101917758 554850962 /nfs/dbraw/zinc/85/09/62/554850962.db2.gz YIMWIDKBABJYHB-UHFFFAOYSA-N 0 0 553.597 4.399 50 5 KIBARN Cc1c(C(=O)N2CCCC2)nn(-c2cccc(C)c2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)C ZINC000101917794 554851240 /nfs/dbraw/zinc/85/12/40/554851240.db2.gz LNNWFIXRFDUNGT-UHFFFAOYSA-N 0 0 541.630 4.421 50 5 KIBARN Cc1c(C(=O)NC[C@@H]2CCCO2)nn(-c2cccc(C)c2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)C ZINC000101917813 554851191 /nfs/dbraw/zinc/85/11/91/554851191.db2.gz MUKKZXZOQUIDHT-NRFANRHFSA-N 0 0 571.656 4.094 50 5 KIBARN Cc1c(C(=O)NC[C@H]2CCCO2)nn(-c2cccc(C)c2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)C ZINC000101917817 554851185 /nfs/dbraw/zinc/85/11/85/554851185.db2.gz MUKKZXZOQUIDHT-OAQYLSRUSA-N 0 0 571.656 4.094 50 5 KIBARN CN(C)c1ccc([P@](=O)(Nc2ccc([N+](=O)[O-])cc2)N2CCOCC2)c(NC(=O)c2cccs2)c1 ZINC000101945692 554852609 /nfs/dbraw/zinc/85/26/09/554852609.db2.gz MGNIKYAMBTUHBE-UMSFTDKQSA-N 0 0 515.532 4.237 50 5 KIBARN COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccc(OC)c2OC)C2=C(N=3)c3ccccc3CC2)cc1[N+](=O)[O-] ZINC000101963939 554853746 /nfs/dbraw/zinc/85/37/46/554853746.db2.gz WDJSKFQQZBAFTQ-QPJBPQEWSA-N 0 0 555.612 4.253 50 5 KIBARN COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccc(OC)c2OC)C2=C(N=3)c3ccccc3CC2)cc1[N+](=O)[O-] ZINC000101963945 554853761 /nfs/dbraw/zinc/85/37/61/554853761.db2.gz WDJSKFQQZBAFTQ-QTTRZTASSA-N 0 0 555.612 4.253 50 5 KIBARN CC[C@@H](C)NC(=O)c1nn(-c2cc(C)ccc2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC2CC2)c1C ZINC000102033322 554868271 /nfs/dbraw/zinc/86/82/71/554868271.db2.gz NCRHYBLFPMQSOX-QGZVFWFLSA-N 0 0 541.630 4.467 50 5 KIBARN CC[C@H](C)NC(=O)c1nn(-c2cc(C)ccc2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC2CC2)c1C ZINC000102033328 554868346 /nfs/dbraw/zinc/86/83/46/554868346.db2.gz NCRHYBLFPMQSOX-KRWDZBQOSA-N 0 0 541.630 4.467 50 5 KIBARN CC[C@@H](C)NC(=O)c1nn(-c2cccc(C)c2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC2CC2)c1C ZINC000102033337 554868325 /nfs/dbraw/zinc/86/83/25/554868325.db2.gz DNQDHSAIJXKCLJ-MRXNPFEDSA-N 0 0 541.630 4.467 50 5 KIBARN CC[C@H](C)NC(=O)c1nn(-c2cccc(C)c2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC2CC2)c1C ZINC000102033343 554868315 /nfs/dbraw/zinc/86/83/15/554868315.db2.gz DNQDHSAIJXKCLJ-INIZCTEOSA-N 0 0 541.630 4.467 50 5 KIBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@@H]2CCCO2)nn1-c1cc(C)ccc1C ZINC000102034051 554868562 /nfs/dbraw/zinc/86/85/62/554868562.db2.gz RLERSWGIFRSNOK-KNQAVFIVSA-N 0 0 585.683 4.484 50 5 KIBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@@H]2CCCO2)nn1-c1cc(C)ccc1C ZINC000102034055 554868598 /nfs/dbraw/zinc/86/85/98/554868598.db2.gz RLERSWGIFRSNOK-UGKGYDQZSA-N 0 0 585.683 4.484 50 5 KIBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@H]2CCCO2)nn1-c1cc(C)ccc1C ZINC000102034058 554868618 /nfs/dbraw/zinc/86/86/18/554868618.db2.gz RLERSWGIFRSNOK-DENIHFKCSA-N 0 0 585.683 4.484 50 5 KIBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@H]2CCCO2)nn1-c1cc(C)ccc1C ZINC000102034063 554868579 /nfs/dbraw/zinc/86/85/79/554868579.db2.gz RLERSWGIFRSNOK-SIKLNZKXSA-N 0 0 585.683 4.484 50 5 KIBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@@H]2CCCO2)nn1-c1ccc(C)cc1 ZINC000102034118 554868534 /nfs/dbraw/zinc/86/85/34/554868534.db2.gz JRYNIRVVRFJABS-GCJKJVERSA-N 0 0 571.656 4.175 50 5 KIBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@@H]2CCCO2)nn1-c1ccc(C)cc1 ZINC000102034124 554868588 /nfs/dbraw/zinc/86/85/88/554868588.db2.gz JRYNIRVVRFJABS-AVRDEDQJSA-N 0 0 571.656 4.175 50 5 KIBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@H]2CCCO2)nn1-c1ccc(C)cc1 ZINC000102034127 554868628 /nfs/dbraw/zinc/86/86/28/554868628.db2.gz JRYNIRVVRFJABS-XMSQKQJNSA-N 0 0 571.656 4.175 50 5 KIBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@H]2CCCO2)nn1-c1ccc(C)cc1 ZINC000102034130 554868573 /nfs/dbraw/zinc/86/85/73/554868573.db2.gz JRYNIRVVRFJABS-PGRDOPGGSA-N 0 0 571.656 4.175 50 5 KIBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC2CC2)nn1-c1cccc(C)c1C ZINC000102034218 554868857 /nfs/dbraw/zinc/86/88/57/554868857.db2.gz HWYCOPQENZCKQZ-MRXNPFEDSA-N 0 0 541.630 4.467 50 5 KIBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC2CC2)nn1-c1cccc(C)c1C ZINC000102034223 554868803 /nfs/dbraw/zinc/86/88/03/554868803.db2.gz HWYCOPQENZCKQZ-INIZCTEOSA-N 0 0 541.630 4.467 50 5 KIBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@@H]2CCCO2)nn1-c1cccc(C)c1C ZINC000102034228 554868740 /nfs/dbraw/zinc/86/87/40/554868740.db2.gz QRGDCEWRJQYIQP-GCJKJVERSA-N 0 0 585.683 4.484 50 5 KIBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@@H]2CCCO2)nn1-c1cccc(C)c1C ZINC000102034232 554868843 /nfs/dbraw/zinc/86/88/43/554868843.db2.gz QRGDCEWRJQYIQP-AVRDEDQJSA-N 0 0 585.683 4.484 50 5 KIBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@H]2CCCO2)nn1-c1cccc(C)c1C ZINC000102034235 554868772 /nfs/dbraw/zinc/86/87/72/554868772.db2.gz QRGDCEWRJQYIQP-XMSQKQJNSA-N 0 0 585.683 4.484 50 5 KIBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@H]2CCCO2)nn1-c1cccc(C)c1C ZINC000102034238 554868783 /nfs/dbraw/zinc/86/87/83/554868783.db2.gz QRGDCEWRJQYIQP-PGRDOPGGSA-N 0 0 585.683 4.484 50 5 KIBARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc2)N3)C1 ZINC000102080043 554875832 /nfs/dbraw/zinc/87/58/32/554875832.db2.gz LOKXNVJKPPCNGN-NRFANRHFSA-N 0 0 522.539 4.244 50 5 KIBARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc2)N3)C1 ZINC000102080047 554875830 /nfs/dbraw/zinc/87/58/30/554875830.db2.gz LOKXNVJKPPCNGN-OAQYLSRUSA-N 0 0 522.539 4.244 50 5 KIBARN COc1ccc(Cl)cc1N1C[C@H](C(=O)OCC(=O)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1=O ZINC000102097541 554879830 /nfs/dbraw/zinc/87/98/30/554879830.db2.gz KBXPUTFVAKRFEA-GOSISDBHSA-N 0 0 552.923 4.255 50 5 KIBARN COc1ccc(Cl)cc1N1C[C@@H](C(=O)OCC(=O)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1=O ZINC000102097545 554879847 /nfs/dbraw/zinc/87/98/47/554879847.db2.gz KBXPUTFVAKRFEA-SFHVURJKSA-N 0 0 552.923 4.255 50 5 KIBARN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CCN(c4ccccn4)CC3)cnn2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000102132388 554886448 /nfs/dbraw/zinc/88/64/48/554886448.db2.gz DWXUVRBLTVPLQC-UHFFFAOYSA-N 0 0 561.643 4.252 50 5 KIBARN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CCN(C(=O)c4ccco4)CC3)cnn2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000102132407 554886459 /nfs/dbraw/zinc/88/64/59/554886459.db2.gz ORSUETSKBFNMPI-UHFFFAOYSA-N 0 0 578.626 4.086 50 5 KIBARN COc1cc([C@@H]2OC(c3cccc([N+](=O)[O-])c3)=NN2C(C)=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000102182055 554893530 /nfs/dbraw/zinc/89/35/30/554893530.db2.gz PTPZQHJKDBNRCU-QHCPKHFHSA-N 0 0 523.414 4.451 50 5 KIBARN COc1cc([C@H]2OC(c3cccc([N+](=O)[O-])c3)=NN2C(C)=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000102182057 554893527 /nfs/dbraw/zinc/89/35/27/554893527.db2.gz PTPZQHJKDBNRCU-HSZRJFAPSA-N 0 0 523.414 4.451 50 5 KIBARN COc1cc([C@@H]2OC(c3ccc([N+](=O)[O-])cc3)=NN2C(C)=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000102182062 554893601 /nfs/dbraw/zinc/89/36/01/554893601.db2.gz NYXZZPCHUMNXEI-QHCPKHFHSA-N 0 0 523.414 4.451 50 5 KIBARN COc1cc([C@H]2OC(c3ccc([N+](=O)[O-])cc3)=NN2C(C)=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000102182065 554893586 /nfs/dbraw/zinc/89/35/86/554893586.db2.gz NYXZZPCHUMNXEI-HSZRJFAPSA-N 0 0 523.414 4.451 50 5 KIBARN CCn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000102219051 554898659 /nfs/dbraw/zinc/89/86/59/554898659.db2.gz OJMGUNWXXFNKIN-UHFFFAOYSA-N 0 0 536.574 4.374 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000102260874 1064286354 /nfs/dbraw/zinc/28/63/54/1064286354.db2.gz NIPAKBZNERTVOE-ZFWDJNJRSA-N 0 0 573.583 4.004 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000102261029 554905203 /nfs/dbraw/zinc/90/52/03/554905203.db2.gz ICPIYRMCJBRKEB-KMBIYUNPSA-N 0 0 559.600 4.284 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000102261586 1064286809 /nfs/dbraw/zinc/28/68/09/1064286809.db2.gz MUYQMPORSGJMLT-LWUPDDLQSA-N 0 0 529.574 4.275 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000102261589 1064285611 /nfs/dbraw/zinc/28/56/11/1064285611.db2.gz MUYQMPORSGJMLT-GJFKPFFXSA-N 0 0 529.574 4.275 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccccc1OC ZINC000102261779 554905189 /nfs/dbraw/zinc/90/51/89/554905189.db2.gz TXJJIUDRTMIKSA-GVMLUORFSA-N 0 0 559.600 4.284 50 5 KIBARN Cc1cc(NC(=O)CSc2nc3ccc(Br)cc3c3nc(=O)c(-c4ccc(F)cc4)nn23)no1 ZINC000102348647 554913449 /nfs/dbraw/zinc/91/34/49/554913449.db2.gz CEEXMGFOGPIFKX-UHFFFAOYSA-N 0 0 541.362 4.234 50 5 KIBARN Cc1ccc(S(=O)(=O)N(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000102410541 554923320 /nfs/dbraw/zinc/92/33/20/554923320.db2.gz WSFAEEPCLAAMKF-UHFFFAOYSA-N 0 0 525.948 4.357 50 5 KIBARN COc1ccccc1NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccc(F)cc1 ZINC000102416062 554924847 /nfs/dbraw/zinc/92/48/47/554924847.db2.gz UOOPYUOSGNMVDV-NDEPHWFRSA-N 0 0 604.639 4.287 50 5 KIBARN COc1ccccc1NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccc(F)cc1 ZINC000102416064 554924909 /nfs/dbraw/zinc/92/49/09/554924909.db2.gz UOOPYUOSGNMVDV-MUUNZHRXSA-N 0 0 604.639 4.287 50 5 KIBARN COc1ccc(CNC(=O)COc2c(I)cc(Cl)c3cccnc32)cc1[N+](=O)[O-] ZINC000102425248 554925810 /nfs/dbraw/zinc/92/58/10/554925810.db2.gz ZPRRWHDJUGXXEC-UHFFFAOYSA-N 0 0 527.702 4.105 50 5 KIBARN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1cc(Cc2ccc(O)c(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)c2)ccc1O ZINC000102507701 554945254 /nfs/dbraw/zinc/94/52/54/554945254.db2.gz MSIWXFRXRBTOKC-UHFFFAOYSA-N 0 0 580.465 4.106 50 5 KIBARN O=C(CCCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000102518119 554948732 /nfs/dbraw/zinc/94/87/32/554948732.db2.gz PRZXWVKZDFRBJM-UHFFFAOYSA-N 0 0 577.502 4.078 50 5 KIBARN C=C(/N=c1/c(C(=O)OCC)cc2c(nc3c(C)cccn3c2=O)n1CCCOCC)c1ccc(OC)cc1 ZINC000102548717 554960564 /nfs/dbraw/zinc/96/05/64/554960564.db2.gz NYCUAQCHPWPSIJ-IKPAITLHSA-N 0 0 516.598 4.141 50 5 KIBARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000102558642 554965875 /nfs/dbraw/zinc/96/58/75/554965875.db2.gz SOCZUBKHWHVTLQ-ZONZVBGPSA-N 0 0 571.567 4.414 50 5 KIBARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000102558645 554965858 /nfs/dbraw/zinc/96/58/58/554965858.db2.gz SOCZUBKHWHVTLQ-KWXIBIRDSA-N 0 0 571.567 4.414 50 5 KIBARN COc1cccc(NC(=O)CSc2nnc3c4sc5nc(N6CCOCC6)c6c(c5c4ncn23)CC(C)(C)OC6)c1 ZINC000102568679 554970109 /nfs/dbraw/zinc/97/01/09/554970109.db2.gz BUXYTIOMHDYPRD-UHFFFAOYSA-N 0 0 591.719 4.315 50 5 KIBARN COc1ccc(CCN2CC(=O)N3[C@H](Cc4c5ccccc5[nH]c4[C@@H]3c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000102575861 554971528 /nfs/dbraw/zinc/97/15/28/554971528.db2.gz RWOZBOIYDAWRQA-GIGWZHCTSA-N 0 0 540.576 4.021 50 5 KIBARN COc1ccc(CCN2CC(=O)N3[C@H](Cc4c5ccccc5[nH]c4[C@H]3c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000102575864 554971567 /nfs/dbraw/zinc/97/15/67/554971567.db2.gz RWOZBOIYDAWRQA-FUFSCUOVSA-N 0 0 540.576 4.021 50 5 KIBARN CCCN1C(=O)N[C@@H](c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)C(C(=O)OCCOC)=C1C ZINC000102597950 554977400 /nfs/dbraw/zinc/97/74/00/554977400.db2.gz UUPQXFHTCAVSSV-QFIPXVFZSA-N 0 0 530.965 4.440 50 5 KIBARN CCCN1C(=O)N[C@H](c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)C(C(=O)OCCOC)=C1C ZINC000102597954 554977445 /nfs/dbraw/zinc/97/74/45/554977445.db2.gz UUPQXFHTCAVSSV-JOCHJYFZSA-N 0 0 530.965 4.440 50 5 KIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C/c2ccccc2F)CC1 ZINC000102613275 554982874 /nfs/dbraw/zinc/98/28/74/554982874.db2.gz KAOPWFQBEVCANN-JXMROGBWSA-N 0 0 544.561 4.249 50 5 KIBARN Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC000102613329 554982849 /nfs/dbraw/zinc/98/28/49/554982849.db2.gz GIQWOHKXDWDTKP-RMKNXTFCSA-N 0 0 532.525 4.379 50 5 KIBARN COCCn1c(=N)c(-c2nc(-c3ccccc3)c(NC(=O)c3ccco3)s2)cc2c1nc1ccccn1c2=O ZINC000102621060 554986773 /nfs/dbraw/zinc/98/67/73/554986773.db2.gz SVNGCLRRTFQDLX-UHFFFAOYSA-N 0 0 538.589 4.411 50 5 KIBARN O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1)c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000102660390 555000145 /nfs/dbraw/zinc/00/01/45/555000145.db2.gz JPUGPPNVVZBAHA-IHKGIWLBSA-N 0 0 566.522 4.165 50 5 KIBARN Cn1c(=O)c2c(n(C)c1=O)N=C1c3ccccc3C(=O)C1[C@H]2c1ccc(OC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000102673478 555003115 /nfs/dbraw/zinc/00/31/15/555003115.db2.gz PJIXUTABMJWKIQ-BFFNPARHSA-N 0 0 562.538 4.160 50 5 KIBARN Cn1c(=O)c2c(n(C)c1=O)N=C1c3ccccc3C(=O)C1[C@@H]2c1ccc(OC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000102673480 555003072 /nfs/dbraw/zinc/00/30/72/555003072.db2.gz PJIXUTABMJWKIQ-OMHSXHNCSA-N 0 0 562.538 4.160 50 5 KIBARN COc1cccc(-n2c(=O)c3ccc(C(=O)N4CCOCC4)cc3nc2SCc2ccc([N+](=O)[O-])cc2)c1 ZINC000102680640 555005281 /nfs/dbraw/zinc/00/52/81/555005281.db2.gz JFHZVYDYNRMXAY-UHFFFAOYSA-N 0 0 532.578 4.067 50 5 KIBARN COc1cccc(-n2c(=O)c3ccc(C(=O)N4CCOCC4)cc3nc2SCc2cccc([N+](=O)[O-])c2)c1 ZINC000102682072 555006258 /nfs/dbraw/zinc/00/62/58/555006258.db2.gz GBDNKUVYRGSXRH-UHFFFAOYSA-N 0 0 532.578 4.067 50 5 KIBARN COc1ccc(-n2c(=O)c3ccc(C(=O)N4CCOCC4)cc3nc2SCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000102682112 555006437 /nfs/dbraw/zinc/00/64/37/555006437.db2.gz MLYVAPQWTJQNMZ-UHFFFAOYSA-N 0 0 532.578 4.067 50 5 KIBARN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)O[C@@H](C)C(=O)Nc1ncc(Cl)cc1Cl ZINC000102707309 555015391 /nfs/dbraw/zinc/01/53/91/555015391.db2.gz SYSIFMNHLYTTJH-MGPLVRAMSA-N 0 0 549.820 4.372 50 5 KIBARN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)O[C@H](C)C(=O)Nc1ncc(Cl)cc1Cl ZINC000102707310 555015330 /nfs/dbraw/zinc/01/53/30/555015330.db2.gz SYSIFMNHLYTTJH-QLJPJBMISA-N 0 0 549.820 4.372 50 5 KIBARN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)O[C@@H](C)C(=O)Nc1ncc(Cl)cc1Cl ZINC000102707312 555015369 /nfs/dbraw/zinc/01/53/69/555015369.db2.gz SYSIFMNHLYTTJH-QFYYESIMSA-N 0 0 549.820 4.372 50 5 KIBARN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)O[C@H](C)C(=O)Nc1ncc(Cl)cc1Cl ZINC000102707313 555015325 /nfs/dbraw/zinc/01/53/25/555015325.db2.gz SYSIFMNHLYTTJH-HWPZZCPQSA-N 0 0 549.820 4.372 50 5 KIBARN O=C(CCCn1c(=O)c2sccc2nc1SCC(=O)c1cccc([N+](=O)[O-])c1)NCCc1ccccc1 ZINC000102740444 555029356 /nfs/dbraw/zinc/02/93/56/555029356.db2.gz JWVNKKAUPJRDSS-UHFFFAOYSA-N 0 0 536.635 4.480 50 5 KIBARN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3ON2c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000102740576 555029543 /nfs/dbraw/zinc/02/95/43/555029543.db2.gz FYPNFKXDECGYAK-YPAWHYETSA-N 0 0 540.326 4.123 50 5 KIBARN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000102742119 555030957 /nfs/dbraw/zinc/03/09/57/555030957.db2.gz LAWHJOWCNVZMAM-DNVJHFABSA-N 0 0 509.902 4.317 50 5 KIBARN CCOC(=O)[C@@H]1CCCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OC(C)C)[C@H](c4ccc([N+](=O)[O-])cc4)N23)C1 ZINC000102742403 555031508 /nfs/dbraw/zinc/03/15/08/555031508.db2.gz QDVDTWGWVIFZLN-DVECYGJZSA-N 0 0 556.641 4.313 50 5 KIBARN CCOC(=O)[C@H]1CCCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OC(C)C)[C@H](c4ccc([N+](=O)[O-])cc4)N23)C1 ZINC000102742405 555031470 /nfs/dbraw/zinc/03/14/70/555031470.db2.gz QDVDTWGWVIFZLN-CYFREDJKSA-N 0 0 556.641 4.313 50 5 KIBARN CCOC(=O)[C@@H]1CCCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OC(C)C)[C@@H](c4ccc([N+](=O)[O-])cc4)N23)C1 ZINC000102742408 555031490 /nfs/dbraw/zinc/03/14/90/555031490.db2.gz QDVDTWGWVIFZLN-NTKDMRAZSA-N 0 0 556.641 4.313 50 5 KIBARN CCOC(=O)[C@H]1CCCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OC(C)C)[C@@H](c4ccc([N+](=O)[O-])cc4)N23)C1 ZINC000102742411 555031547 /nfs/dbraw/zinc/03/15/47/555031547.db2.gz QDVDTWGWVIFZLN-YADARESESA-N 0 0 556.641 4.313 50 5 KIBARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)N2C(CC(=O)N3CCOCC3)=CSC2=N1 ZINC000102744081 555035215 /nfs/dbraw/zinc/03/52/15/555035215.db2.gz PJHKXLDSBWNSSB-VWLOTQADSA-N 0 0 534.594 4.162 50 5 KIBARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N2C(CC(=O)N3CCOCC3)=CSC2=N1 ZINC000102744085 555035282 /nfs/dbraw/zinc/03/52/82/555035282.db2.gz PJHKXLDSBWNSSB-RUZDIDTESA-N 0 0 534.594 4.162 50 5 KIBARN COCCCNC(=O)CSc1nc2cc(C(=O)NCCc3ccc(OC)c(OC)c3)ccc2c2nc3ccccc3n21 ZINC000102744563 555035755 /nfs/dbraw/zinc/03/57/55/555035755.db2.gz DTOTZUPNKHGTOA-UHFFFAOYSA-N 0 0 587.702 4.270 50 5 KIBARN COc1ccc(CCNC(=O)c2ccc3c4nc5ccccc5n4c(SCC(=O)NC[C@@H]4CCCO4)nc3c2)cc1OC ZINC000102744567 555035745 /nfs/dbraw/zinc/03/57/45/555035745.db2.gz CIEKPSSDODLIND-QFIPXVFZSA-N 0 0 599.713 4.413 50 5 KIBARN COc1ccc(CCNC(=O)c2ccc3c4nc5ccccc5n4c(SCC(=O)NC[C@H]4CCCO4)nc3c2)cc1OC ZINC000102744570 555035676 /nfs/dbraw/zinc/03/56/76/555035676.db2.gz CIEKPSSDODLIND-JOCHJYFZSA-N 0 0 599.713 4.413 50 5 KIBARN Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)sc2nc3n(c(=O)c12)N=C(c1ccc([N+](=O)[O-])cc1)CS3 ZINC000102744720 555035830 /nfs/dbraw/zinc/03/58/30/555035830.db2.gz ACEYFKFKSACYCE-UHFFFAOYSA-N 0 0 535.563 4.056 50 5 KIBARN CC1=C(C(=O)OC(C)C)[C@H](c2ccc([N+](=O)[O-])cc2)N2C(CC(=O)NCCc3ccccn3)=CSC2=N1 ZINC000102747488 555041170 /nfs/dbraw/zinc/04/11/70/555041170.db2.gz IHGHIPVXQBVNED-DEOSSOPVSA-N 0 0 521.599 4.265 50 5 KIBARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc([N+](=O)[O-])cc2)N2C(CC(=O)NCCc3ccccn3)=CSC2=N1 ZINC000102747491 555041105 /nfs/dbraw/zinc/04/11/05/555041105.db2.gz IHGHIPVXQBVNED-XMMPIXPASA-N 0 0 521.599 4.265 50 5 KIBARN CC1=C(C(=O)OC(C)C)[C@H](c2ccc([N+](=O)[O-])cc2)N2C(CC(=O)NCc3cccnc3)=CSC2=N1 ZINC000102747676 555041446 /nfs/dbraw/zinc/04/14/46/555041446.db2.gz CEQQRXUJJMRUBN-QHCPKHFHSA-N 0 0 507.572 4.223 50 5 KIBARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc([N+](=O)[O-])cc2)N2C(CC(=O)NCc3cccnc3)=CSC2=N1 ZINC000102747679 555041384 /nfs/dbraw/zinc/04/13/84/555041384.db2.gz CEQQRXUJJMRUBN-HSZRJFAPSA-N 0 0 507.572 4.223 50 5 KIBARN CC1=C(C(=O)OC(C)C)[C@H](c2ccc([N+](=O)[O-])cc2)N2C(CC(=O)NCc3ccncc3)=CSC2=N1 ZINC000102748045 555042107 /nfs/dbraw/zinc/04/21/07/555042107.db2.gz KDALJCSVHMCACQ-QHCPKHFHSA-N 0 0 507.572 4.223 50 5 KIBARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc([N+](=O)[O-])cc2)N2C(CC(=O)NCc3ccncc3)=CSC2=N1 ZINC000102748048 555042116 /nfs/dbraw/zinc/04/21/16/555042116.db2.gz KDALJCSVHMCACQ-HSZRJFAPSA-N 0 0 507.572 4.223 50 5 KIBARN O=C(CCn1c(=O)c2ccccc2nc1SCc1cccc([N+](=O)[O-])c1)N1CCN(c2ccccc2)CC1 ZINC000102749696 555043741 /nfs/dbraw/zinc/04/37/41/555043741.db2.gz BAKMYPZHZMSDEE-UHFFFAOYSA-N 0 0 529.622 4.336 50 5 KIBARN COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)c1 ZINC000102755400 555047370 /nfs/dbraw/zinc/04/73/70/555047370.db2.gz XXNYYPINKCEHAO-YPAWHYETSA-N 0 0 524.327 4.417 50 5 KIBARN COc1ccc(CCNC(=O)CCn2c(=O)c3cc4c(cc3nc2SCc2ccc([N+](=O)[O-])cc2)OCO4)cc1OC ZINC000102755434 555047446 /nfs/dbraw/zinc/04/74/46/555047446.db2.gz PUQDNOZWHGBODB-UHFFFAOYSA-N 0 0 592.630 4.092 50 5 KIBARN COc1ccc(CCNC(=O)CCCn2c(=O)c3cc4c(cc3nc2SCc2cccc([N+](=O)[O-])c2)OCO4)cc1OC ZINC000102755659 555047831 /nfs/dbraw/zinc/04/78/31/555047831.db2.gz NOIMQMGZVJGBRQ-UHFFFAOYSA-N 0 0 606.657 4.482 50 5 KIBARN COc1ccc(CCNC(=O)CCCn2c(=O)c3cc4c(cc3nc2SCc2ccc([N+](=O)[O-])cc2)OCO4)cc1OC ZINC000102755661 555047841 /nfs/dbraw/zinc/04/78/41/555047841.db2.gz SGESFNQABQOHAB-UHFFFAOYSA-N 0 0 606.657 4.482 50 5 KIBARN CCOc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3cc(OC)c(OC)cc3[N+](=O)[O-])[C@@H]2C1=O ZINC000102758623 555050580 /nfs/dbraw/zinc/05/05/80/555050580.db2.gz QWUODKRCDPQNSH-ISJGIBHGSA-N 0 0 519.510 4.062 50 5 KIBARN CCOc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3cc(OC)c(OC)cc3[N+](=O)[O-])[C@H]2C1=O ZINC000102758624 555050651 /nfs/dbraw/zinc/05/06/51/555050651.db2.gz QWUODKRCDPQNSH-UBFVSLLYSA-N 0 0 519.510 4.062 50 5 KIBARN COc1ccc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1Br ZINC000102759252 193918267 /nfs/dbraw/zinc/91/82/67/193918267.db2.gz ZVLJIPOFYVHUDN-DNVJHFABSA-N 0 0 538.354 4.413 50 5 KIBARN CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cc(OC)c(OC)cc4[N+](=O)[O-])[C@@H]3C2=O)cc1 ZINC000102759380 555051194 /nfs/dbraw/zinc/05/11/94/555051194.db2.gz BJUJRUBMXKWMAE-ISJGIBHGSA-N 0 0 519.510 4.062 50 5 KIBARN CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cc(OC)c(OC)cc4[N+](=O)[O-])[C@H]3C2=O)cc1 ZINC000102759382 555051189 /nfs/dbraw/zinc/05/11/89/555051189.db2.gz BJUJRUBMXKWMAE-UBFVSLLYSA-N 0 0 519.510 4.062 50 5 KIBARN CCOc1cccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC)c(OC)c4OC)[C@@H]3C2=O)c1 ZINC000102759660 555051568 /nfs/dbraw/zinc/05/15/68/555051568.db2.gz IWQXEEHDZDOYMZ-JCYRPKCISA-N 0 0 549.536 4.070 50 5 KIBARN CCOc1cccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC)c(OC)c4OC)[C@H]3C2=O)c1 ZINC000102759662 555051573 /nfs/dbraw/zinc/05/15/73/555051573.db2.gz IWQXEEHDZDOYMZ-MVERNJQCSA-N 0 0 549.536 4.070 50 5 KIBARN CCCOc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(O)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000102759875 555051788 /nfs/dbraw/zinc/05/17/88/555051788.db2.gz IKQUMOKDPCFEJQ-CCDWMCETSA-N 0 0 519.510 4.149 50 5 KIBARN CCCOc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(O)c(OC)c4)[C@H]3C2=O)cc1 ZINC000102759878 555051840 /nfs/dbraw/zinc/05/18/40/555051840.db2.gz IKQUMOKDPCFEJQ-DSNGMDLFSA-N 0 0 519.510 4.149 50 5 KIBARN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OC ZINC000102759886 555051740 /nfs/dbraw/zinc/05/17/40/555051740.db2.gz FEIXJYOIIGFHJV-UBFVSLLYSA-N 0 0 503.511 4.443 50 5 KIBARN COc1ccc(Br)cc1[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2ON1c1ccccc1 ZINC000102760781 555052530 /nfs/dbraw/zinc/05/25/30/555052530.db2.gz HNVLDXYMDUHYGF-YPAWHYETSA-N 0 0 524.327 4.417 50 5 KIBARN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc(Br)c1O ZINC000102761334 193920017 /nfs/dbraw/zinc/92/00/17/193920017.db2.gz XFVBHBUBBGWURV-TUNNFDKTSA-N 0 0 540.326 4.123 50 5 KIBARN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc(Br)c1O ZINC000102761338 555052409 /nfs/dbraw/zinc/05/24/09/555052409.db2.gz XFVBHBUBBGWURV-KCZVDYSFSA-N 0 0 540.326 4.123 50 5 KIBARN CCc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cc(OC)c(OC)cc4[N+](=O)[O-])[C@H]3C2=O)cc1 ZINC000102761441 555052724 /nfs/dbraw/zinc/05/27/24/555052724.db2.gz FQNHOCGMAWGFMS-DSNGMDLFSA-N 0 0 503.511 4.226 50 5 KIBARN CCc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cc(OC)c(OC)cc4[N+](=O)[O-])[C@H]3C2=O)cc1 ZINC000102761444 555052649 /nfs/dbraw/zinc/05/26/49/555052649.db2.gz FQNHOCGMAWGFMS-UBFVSLLYSA-N 0 0 503.511 4.226 50 5 KIBARN CCOc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC)c(OC)c4OC)[C@@H]3C2=O)cc1 ZINC000102762630 555053409 /nfs/dbraw/zinc/05/34/09/555053409.db2.gz PYWWPPKIHWRSDQ-PPJWLVRDSA-N 0 0 549.536 4.070 50 5 KIBARN CCOc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC)c(OC)c4OC)[C@H]3C2=O)cc1 ZINC000102762631 555053219 /nfs/dbraw/zinc/05/32/19/555053219.db2.gz PYWWPPKIHWRSDQ-JQYIIUTOSA-N 0 0 549.536 4.070 50 5 KIBARN CCc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC)c(OC)c4OC)[C@@H]3C2=O)cc1 ZINC000102763424 555054091 /nfs/dbraw/zinc/05/40/91/555054091.db2.gz RADCEGHLIMOCJX-JCYRPKCISA-N 0 0 533.537 4.234 50 5 KIBARN CCc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC)c(OC)c4OC)[C@H]3C2=O)cc1 ZINC000102763427 555054191 /nfs/dbraw/zinc/05/41/91/555054191.db2.gz RADCEGHLIMOCJX-MVERNJQCSA-N 0 0 533.537 4.234 50 5 KIBARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000102763718 555054078 /nfs/dbraw/zinc/05/40/78/555054078.db2.gz JKHDSYGWXDPJOK-PQNGQFLHSA-N 0 0 539.928 4.325 50 5 KIBARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000102764474 555054293 /nfs/dbraw/zinc/05/42/93/555054293.db2.gz UFSNNNOBEIVFME-PQNGQFLHSA-N 0 0 539.928 4.325 50 5 KIBARN CCOc1ccccc1N1C(=O)[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(OC)c(OC)c3OC)[C@@H]2C1=O ZINC000102765603 555054749 /nfs/dbraw/zinc/05/47/49/555054749.db2.gz ZYJAUJFJYYVXMJ-JCYRPKCISA-N 0 0 549.536 4.070 50 5 KIBARN CCOc1ccccc1N1C(=O)[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(OC)c(OC)c3OC)[C@H]2C1=O ZINC000102765605 555054708 /nfs/dbraw/zinc/05/47/08/555054708.db2.gz ZYJAUJFJYYVXMJ-MVERNJQCSA-N 0 0 549.536 4.070 50 5 KIBARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1Br ZINC000102766638 555055505 /nfs/dbraw/zinc/05/55/05/555055505.db2.gz SITBJMVEILNJBS-BHDDXSALSA-N 0 0 524.327 4.417 50 5 KIBARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1Br ZINC000102766644 555055536 /nfs/dbraw/zinc/05/55/36/555055536.db2.gz SITBJMVEILNJBS-YPAWHYETSA-N 0 0 524.327 4.417 50 5 KIBARN CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cc(OC)c(OC)cc4[N+](=O)[O-])[C@@H]3C2=O)cc1 ZINC000102768233 555055852 /nfs/dbraw/zinc/05/58/52/555055852.db2.gz OLGQGZQSNYLOIX-KKUQBAQOSA-N 0 0 533.537 4.452 50 5 KIBARN CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cc(OC)c(OC)cc4[N+](=O)[O-])[C@H]3C2=O)cc1 ZINC000102768235 555055855 /nfs/dbraw/zinc/05/58/55/555055855.db2.gz OLGQGZQSNYLOIX-UODIDJSMSA-N 0 0 533.537 4.452 50 5 KIBARN CCOC(=O)c1ccc(CN(CCc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102773399 555061824 /nfs/dbraw/zinc/06/18/24/555061824.db2.gz XXEBOVRJHDZRQZ-UHFFFAOYSA-N 0 0 528.583 4.222 50 5 KIBARN CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000102775975 555062727 /nfs/dbraw/zinc/06/27/27/555062727.db2.gz VVJATFFJOLALDY-DEOSSOPVSA-N 0 0 528.612 4.205 50 5 KIBARN CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000102775977 555062744 /nfs/dbraw/zinc/06/27/44/555062744.db2.gz VVJATFFJOLALDY-XMMPIXPASA-N 0 0 528.612 4.205 50 5 KIBARN CS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000102775987 555062733 /nfs/dbraw/zinc/06/27/33/555062733.db2.gz PYHGFSKKECFSCV-QFIPXVFZSA-N 0 0 535.003 4.160 50 5 KIBARN CS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000102775989 555062689 /nfs/dbraw/zinc/06/26/89/555062689.db2.gz PYHGFSKKECFSCV-JOCHJYFZSA-N 0 0 535.003 4.160 50 5 KIBARN O=C(COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(F)cc1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000102778537 555064608 /nfs/dbraw/zinc/06/46/08/555064608.db2.gz TZZPQUCZWBSUMI-QHCPKHFHSA-N 0 0 538.919 4.392 50 5 KIBARN C[C@]12C[C@H](CC(C)(C)C1)N1c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(Cc4ccccc4)C3=O)[C@H]12 ZINC000102788337 555068287 /nfs/dbraw/zinc/06/82/87/555068287.db2.gz JWRZZLCHFOAEFJ-WXTNAUMQSA-N 0 0 502.571 4.190 50 5 KIBARN C[C@]12C[C@H](CC(C)(C)C1)N1c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(Cc4ccccc4)C3=O)[C@H]12 ZINC000102788340 555068320 /nfs/dbraw/zinc/06/83/20/555068320.db2.gz JWRZZLCHFOAEFJ-JEAFXSMJSA-N 0 0 502.571 4.190 50 5 KIBARN CC[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)n1c2ccccc2c(=O)n(-c2cccc([N+](=O)[O-])c2)c1=O ZINC000102817149 555076183 /nfs/dbraw/zinc/07/61/83/555076183.db2.gz MYSHFIIXWMQEBV-NRFANRHFSA-N 0 0 526.471 4.347 50 5 KIBARN CC[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)n1c2ccccc2c(=O)n(-c2cccc([N+](=O)[O-])c2)c1=O ZINC000102817151 555076148 /nfs/dbraw/zinc/07/61/48/555076148.db2.gz MYSHFIIXWMQEBV-OAQYLSRUSA-N 0 0 526.471 4.347 50 5 KIBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N2CCOCC2)nn1-c1cc(C)ccc1C ZINC000102835954 555079970 /nfs/dbraw/zinc/07/99/70/555079970.db2.gz OANABTUIRQYGSZ-LJQANCHMSA-N 0 0 571.656 4.047 50 5 KIBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N2CCOCC2)nn1-c1cc(C)ccc1C ZINC000102835957 555079907 /nfs/dbraw/zinc/07/99/07/555079907.db2.gz OANABTUIRQYGSZ-IBGZPJMESA-N 0 0 571.656 4.047 50 5 KIBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N2CCOCC2)nn1-c1cccc(C)c1C ZINC000102835984 555080212 /nfs/dbraw/zinc/08/02/12/555080212.db2.gz LRWLQLNATXQNJK-GOSISDBHSA-N 0 0 571.656 4.047 50 5 KIBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N2CCOCC2)nn1-c1cccc(C)c1C ZINC000102835987 555080242 /nfs/dbraw/zinc/08/02/42/555080242.db2.gz LRWLQLNATXQNJK-SFHVURJKSA-N 0 0 571.656 4.047 50 5 KIBARN CCCC12CN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC(CCC)(CN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C1)C2=O ZINC000102840784 555081450 /nfs/dbraw/zinc/08/14/50/555081450.db2.gz ZRFSLTICKFTGPJ-UHFFFAOYSA-N 0 0 612.552 4.073 50 5 KIBARN CSc1ccc(C(=O)c2ccccc2C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1[N+](=O)[O-] ZINC000102847078 555084272 /nfs/dbraw/zinc/08/42/72/555084272.db2.gz MCQUBHQXIRLLLR-UHFFFAOYSA-N 0 0 545.664 4.192 50 5 KIBARN COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O ZINC000102862045 555092031 /nfs/dbraw/zinc/09/20/31/555092031.db2.gz XUBDRKSUSLFYIY-PCCBWWKXSA-N 0 0 507.524 4.111 50 5 KIBARN COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C1=O ZINC000102862047 555091854 /nfs/dbraw/zinc/09/18/54/555091854.db2.gz XUBDRKSUSLFYIY-QHAWAJNXSA-N 0 0 507.524 4.111 50 5 KIBARN COC(=O)c1c2c(sc1N1C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C1=O)CCCC2 ZINC000102863136 555092875 /nfs/dbraw/zinc/09/28/75/555092875.db2.gz FIYGEGLBLLMZJD-YTFSRNRJSA-N 0 0 533.562 4.373 50 5 KIBARN COC(=O)c1c2c(sc1N1C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C1=O)CCCC2 ZINC000102863141 555092928 /nfs/dbraw/zinc/09/29/28/555092928.db2.gz FIYGEGLBLLMZJD-DNVJHFABSA-N 0 0 533.562 4.373 50 5 KIBARN CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)c3ccccc3C(=O)c3ccc(F)c(F)c3)CC2)c([N+](=O)[O-])c1 ZINC000102869782 555099494 /nfs/dbraw/zinc/09/94/94/555099494.db2.gz RGAVMJKNJWJAIJ-UHFFFAOYSA-N 0 0 586.617 4.097 50 5 KIBARN Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CCN(S(=O)(=O)c5cc([N+](=O)[O-])ccc5C)CC4)cc3)o2)cc1 ZINC000102874480 555104555 /nfs/dbraw/zinc/10/45/55/555104555.db2.gz CAJXVZOHWQIGCX-UHFFFAOYSA-N 0 0 547.593 4.075 50 5 KIBARN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])cc1OC ZINC000102883692 555112316 /nfs/dbraw/zinc/11/23/16/555112316.db2.gz FAQNPEIKAMSWSM-ZLNRFVROSA-N 0 0 554.899 4.225 50 5 KIBARN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])cc1OC ZINC000102883701 555112258 /nfs/dbraw/zinc/11/22/58/555112258.db2.gz FAQNPEIKAMSWSM-ZRBLBEILSA-N 0 0 554.899 4.225 50 5 KIBARN Cn1ncc(Cl)c1C(=O)Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102884202 555112882 /nfs/dbraw/zinc/11/28/82/555112882.db2.gz AYXKOFJTDDUYNG-OYRHQHFDSA-N 0 0 618.946 4.160 50 5 KIBARN Cn1ncc(Cl)c1C(=O)Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102884206 555112941 /nfs/dbraw/zinc/11/29/41/555112941.db2.gz AYXKOFJTDDUYNG-ARNLJNQMSA-N 0 0 618.946 4.160 50 5 KIBARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1Br ZINC000102884741 555114527 /nfs/dbraw/zinc/11/45/27/555114527.db2.gz RJTYUCOHLBWUEK-VSKRKVRLSA-N 0 0 569.324 4.325 50 5 KIBARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1Br ZINC000102884745 555114458 /nfs/dbraw/zinc/11/44/58/555114458.db2.gz RJTYUCOHLBWUEK-BDTNDASRSA-N 0 0 569.324 4.325 50 5 KIBARN O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2C=C(Cc3ccc([N+](=O)[O-])cc3)C=CN21 ZINC000102888036 555120510 /nfs/dbraw/zinc/12/05/10/555120510.db2.gz JNIHNHHTMVBUCU-WXIAYYLYSA-N 0 0 564.554 4.236 50 5 KIBARN O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2C=C(Cc3ccc([N+](=O)[O-])cc3)C=CN21 ZINC000102888038 555120467 /nfs/dbraw/zinc/12/04/67/555120467.db2.gz JNIHNHHTMVBUCU-UNFRKHOWSA-N 0 0 564.554 4.236 50 5 KIBARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000102890626 555125879 /nfs/dbraw/zinc/12/58/79/555125879.db2.gz OOYIYJUIOLYHID-ZONZVBGPSA-N 0 0 571.567 4.414 50 5 KIBARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000102890629 555125839 /nfs/dbraw/zinc/12/58/39/555125839.db2.gz OOYIYJUIOLYHID-KWXIBIRDSA-N 0 0 571.567 4.414 50 5 KIBARN O=C(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000102892227 555128486 /nfs/dbraw/zinc/12/84/86/555128486.db2.gz VJQBNDHGJGKFOS-UHFFFAOYSA-N 0 0 528.943 4.190 50 5 KIBARN CN1CCN(c2ccc(C(=O)N3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)cc2[N+](=O)[O-])CC1 ZINC000102898083 555138273 /nfs/dbraw/zinc/13/82/73/555138273.db2.gz URAZYDQEQVWTOD-UHFFFAOYSA-N 0 0 535.595 4.172 50 5 KIBARN CON(C)S(=O)(=O)c1ccc(Br)c(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)c1 ZINC000102899922 555139660 /nfs/dbraw/zinc/13/96/60/555139660.db2.gz WFGUUJOZWABPIZ-UHFFFAOYSA-N 0 0 532.368 4.248 50 5 KIBARN CN(c1ccc(OCC(=O)OCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000102909145 555141937 /nfs/dbraw/zinc/14/19/37/555141937.db2.gz HTQOUKHXZSBVIH-UHFFFAOYSA-N 0 0 591.023 4.244 50 5 KIBARN O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000102910310 555142688 /nfs/dbraw/zinc/14/26/88/555142688.db2.gz LXYFJLLJQVHCSU-UHFFFAOYSA-N 0 0 520.386 4.426 50 5 KIBARN COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O ZINC000102912233 555142923 /nfs/dbraw/zinc/14/29/23/555142923.db2.gz QAVGYZMLNOINKU-PCCBWWKXSA-N 0 0 507.524 4.111 50 5 KIBARN COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]2C1=O ZINC000102912236 555142947 /nfs/dbraw/zinc/14/29/47/555142947.db2.gz QAVGYZMLNOINKU-QHAWAJNXSA-N 0 0 507.524 4.111 50 5 KIBARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000102912260 555142986 /nfs/dbraw/zinc/14/29/86/555142986.db2.gz LJQNYGCQFZJHGA-YTFSRNRJSA-N 0 0 509.902 4.317 50 5 KIBARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000102912266 555142981 /nfs/dbraw/zinc/14/29/81/555142981.db2.gz LJQNYGCQFZJHGA-DNVJHFABSA-N 0 0 509.902 4.317 50 5 KIBARN COC(=O)c1c2c(sc1N1C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C1=O)CCCC2 ZINC000102917690 555144448 /nfs/dbraw/zinc/14/44/48/555144448.db2.gz NRMQXNDENAVQLR-RJGXRXQPSA-N 0 0 533.562 4.373 50 5 KIBARN COC(=O)c1c2c(sc1N1C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C1=O)CCCC2 ZINC000102917693 555144428 /nfs/dbraw/zinc/14/44/28/555144428.db2.gz NRMQXNDENAVQLR-XPWALMASSA-N 0 0 533.562 4.373 50 5 KIBARN O=[N+]([O-])c1ccc(N2CCN(c3nc4c(S(=O)(=O)c5ccc(Br)cc5)nnn4c4ccccc43)CC2)cc1 ZINC000102922319 555147350 /nfs/dbraw/zinc/14/73/50/555147350.db2.gz OAAUTUFRASPXEN-UHFFFAOYSA-N 0 0 594.451 4.108 50 5 KIBARN O=C(OCc1ccc(F)cc1)[C@H](Cc1c[nH]c2ccccc12)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000102928062 555153212 /nfs/dbraw/zinc/15/32/12/555153212.db2.gz CLKCQTAOKAIBLA-SANMLTNESA-N 0 0 582.610 4.003 50 5 KIBARN O=C(OCc1ccc(F)cc1)[C@@H](Cc1c[nH]c2ccccc12)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000102928063 555153169 /nfs/dbraw/zinc/15/31/69/555153169.db2.gz CLKCQTAOKAIBLA-AREMUKBSSA-N 0 0 582.610 4.003 50 5 KIBARN CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)OCC(=O)Nc3cc(OC)c([N+](=O)[O-])cc3C)c2)cc1 ZINC000102934247 555161552 /nfs/dbraw/zinc/16/15/52/555161552.db2.gz AVEGVJORCWWJMT-UHFFFAOYSA-N 0 0 557.581 4.215 50 5 KIBARN O=C(COC(=O)C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000102937343 555165511 /nfs/dbraw/zinc/16/55/11/555165511.db2.gz JBKRJXXIEURIBM-HSZRJFAPSA-N 0 0 606.426 4.357 50 5 KIBARN O=C(COC(=O)C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000102937346 555165509 /nfs/dbraw/zinc/16/55/09/555165509.db2.gz JBKRJXXIEURIBM-QHCPKHFHSA-N 0 0 606.426 4.357 50 5 KIBARN Cn1c([N+](=O)[O-])cnc1C(OC(=O)c1ccc(Cl)cc1)(c1ncc([N+](=O)[O-])n1C)c1ccc(Cl)cc1 ZINC000102970820 555181449 /nfs/dbraw/zinc/18/14/49/555181449.db2.gz RYUVFDKUASHRLS-UHFFFAOYSA-N 0 0 531.312 4.426 50 5 KIBARN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000102973949 555183902 /nfs/dbraw/zinc/18/39/02/555183902.db2.gz JDEKMCAUEFMCIR-DNVJHFABSA-N 0 0 554.353 4.426 50 5 KIBARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)CNc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])c1C ZINC000102975074 555184606 /nfs/dbraw/zinc/18/46/06/555184606.db2.gz KBLHVAKSXNPYRI-LJQANCHMSA-N 0 0 600.650 4.361 50 5 KIBARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)CNc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])c1C ZINC000102975077 555184577 /nfs/dbraw/zinc/18/45/77/555184577.db2.gz KBLHVAKSXNPYRI-IBGZPJMESA-N 0 0 600.650 4.361 50 5 KIBARN COc1cc(NC(=O)COC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)c(C)cc1[N+](=O)[O-] ZINC000102989153 555191854 /nfs/dbraw/zinc/19/18/54/555191854.db2.gz MXMIYAKFFGCMBT-UHFFFAOYSA-N 0 0 547.973 4.186 50 5 KIBARN COc1ccc(N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000102993035 555193394 /nfs/dbraw/zinc/19/33/94/555193394.db2.gz QDBGTEQIJPVHOV-UHFFFAOYSA-N 0 0 535.918 4.427 50 5 KIBARN O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000102997912 555197234 /nfs/dbraw/zinc/19/72/34/555197234.db2.gz AIVUHGWQOWHMFJ-UHFFFAOYSA-N 0 0 529.018 4.443 50 5 KIBARN COc1cc(/C=C2\N=C(c3ccc([N+](=O)[O-])c(C)c3)OC2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000103003489 555202145 /nfs/dbraw/zinc/20/21/45/555202145.db2.gz NNFLXFGCHDPBGW-ODLFYWEKSA-N 0 0 553.505 4.241 50 5 KIBARN COc1cc(/C=C2/N=C(c3ccc([N+](=O)[O-])c(C)c3)OC2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000103003490 555202147 /nfs/dbraw/zinc/20/21/47/555202147.db2.gz NNFLXFGCHDPBGW-YBFXNURJSA-N 0 0 553.505 4.241 50 5 KIBARN O=C1c2ccccc2C(=CNNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000103004388 555202550 /nfs/dbraw/zinc/20/25/50/555202550.db2.gz BEYZEGOAJSJHOD-WOJGMQOQSA-N 0 0 526.427 4.483 50 5 KIBARN CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NNC=C1c2ccccc2C(=O)N(c2ccc(C)cc2)C1=O ZINC000103004623 555202793 /nfs/dbraw/zinc/20/27/93/555202793.db2.gz VVAIKAIUNWAGQN-HAVVHWLPSA-N 0 0 549.609 4.078 50 5 KIBARN CCOc1ccc(N2C(=O)c3ccccc3C(=CNNc3ccc(S(=O)(=O)N(CC)CC)cc3[N+](=O)[O-])C2=O)cc1 ZINC000103004650 555202870 /nfs/dbraw/zinc/20/28/70/555202870.db2.gz HTHXBPXADBZEEK-MOHJPFBDSA-N 0 0 579.635 4.169 50 5 KIBARN CCN(CC)S(=O)(=O)c1ccc(NNC=C2c3ccccc3C(=O)N(c3ccc(C)c(C)c3)C2=O)c([N+](=O)[O-])c1 ZINC000103004657 555202823 /nfs/dbraw/zinc/20/28/23/555202823.db2.gz RPYZZQMEPLAXEP-JJIBRWJFSA-N 0 0 563.636 4.387 50 5 KIBARN CC(=O)Nc1cccc(Oc2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2[N+](=O)[O-])c1 ZINC000103006500 555204125 /nfs/dbraw/zinc/20/41/25/555204125.db2.gz AMFKXZKRCRBLDF-UHFFFAOYSA-N 0 0 524.555 4.382 50 5 KIBARN COc1ccccc1Nc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000103006540 555204081 /nfs/dbraw/zinc/20/40/81/555204081.db2.gz OVGFCCMTBNRIAA-UHFFFAOYSA-N 0 0 576.031 4.072 50 5 KIBARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)ccc2N2CCOCC2)cc1 ZINC000103011965 555206701 /nfs/dbraw/zinc/20/67/01/555206701.db2.gz WAUPGZOHECSXJX-UHFFFAOYSA-N 0 0 595.678 4.483 50 5 KIBARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc2N2CCOCC2)cc1 ZINC000103011982 555206735 /nfs/dbraw/zinc/20/67/35/555206735.db2.gz YBPHOGXTOIKGPI-UHFFFAOYSA-N 0 0 546.989 4.147 50 5 KIBARN COc1ccccc1NS(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000103012212 555207058 /nfs/dbraw/zinc/20/70/58/555207058.db2.gz UPZZLXPKLQAICM-UHFFFAOYSA-N 0 0 581.651 4.093 50 5 KIBARN CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000103014567 555208218 /nfs/dbraw/zinc/20/82/18/555208218.db2.gz GYXBIIYFQVZGJV-UHFFFAOYSA-N 0 0 546.646 4.036 50 5 KIBARN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000103017428 555210344 /nfs/dbraw/zinc/21/03/44/555210344.db2.gz IFPNDIYXTYNPFR-UHFFFAOYSA-N 0 0 526.527 4.497 50 5 KIBARN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000103017435 555210299 /nfs/dbraw/zinc/21/02/99/555210299.db2.gz WSXGVDSLQZEMJV-UHFFFAOYSA-N 0 0 538.003 4.413 50 5 KIBARN COCCN(C(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000103018336 555210375 /nfs/dbraw/zinc/21/03/75/555210375.db2.gz YIXYMPBIXAIUSY-UHFFFAOYSA-N 0 0 548.618 4.325 50 5 KIBARN CCCN(CC(=O)N(Cc1ccc(F)cc1)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1)S(=O)(=O)CCC ZINC000103023698 555214355 /nfs/dbraw/zinc/21/43/55/555214355.db2.gz GETJOJXFJVFBQI-UHFFFAOYSA-N 0 0 577.679 4.211 50 5 KIBARN CCCc1nc2onc(-c3ccccc3)c2c(N2CCN(S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)n1 ZINC000103026527 555216380 /nfs/dbraw/zinc/21/63/80/555216380.db2.gz PNRITGCSKULUIM-UHFFFAOYSA-N 0 0 543.005 4.310 50 5 KIBARN COc1ccc(CCNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccccc4Cl)C[C@H]23)cc1OC ZINC000103029757 555218528 /nfs/dbraw/zinc/21/85/28/555218528.db2.gz NYNUOLHDQRFSCX-ATIYNZHBSA-N 0 0 551.043 4.492 50 5 KIBARN COc1ccc(CCNC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccccc4Cl)C[C@H]23)cc1OC ZINC000103029760 555218494 /nfs/dbraw/zinc/21/84/94/555218494.db2.gz NYNUOLHDQRFSCX-BKMJKUGQSA-N 0 0 551.043 4.492 50 5 KIBARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1 ZINC000103033355 555221206 /nfs/dbraw/zinc/22/12/06/555221206.db2.gz BURWROYCUDDGGV-UHFFFAOYSA-N 0 0 568.637 4.351 50 5 KIBARN COCCCN(CC(=O)N(Cc1sccc1C)Cc1ccc(F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000103039605 555224372 /nfs/dbraw/zinc/22/43/72/555224372.db2.gz NFGSKFYZOQZNAY-UHFFFAOYSA-N 0 0 549.646 4.360 50 5 KIBARN O=C(CN(CCCN1CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1)N(Cc1ccco1)Cc1ccc(F)cc1 ZINC000103040637 555225046 /nfs/dbraw/zinc/22/50/46/555225046.db2.gz GLQDEEREFQCYOD-UHFFFAOYSA-N 0 0 553.591 4.112 50 5 KIBARN O=C(Oc1ccc2oc3c(c2c1)CCCC3)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000103041048 555225271 /nfs/dbraw/zinc/22/52/71/555225271.db2.gz AZKRDIZGJOYELR-UHFFFAOYSA-N 0 0 569.636 4.063 50 5 KIBARN COc1ccc(CCNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CCN(c4cc(Cl)ccc4OC)C[C@H]23)cc1 ZINC000103044358 555227306 /nfs/dbraw/zinc/22/73/06/555227306.db2.gz BAALNHIKAJHSTM-SHQCIBLASA-N 0 0 551.043 4.492 50 5 KIBARN COc1ccc(CCNC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CCN(c4cc(Cl)ccc4OC)C[C@H]23)cc1 ZINC000103044361 555227224 /nfs/dbraw/zinc/22/72/24/555227224.db2.gz BAALNHIKAJHSTM-RPLLCQBOSA-N 0 0 551.043 4.492 50 5 KIBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCC(C)C)nn1-c1ccc(F)cc1 ZINC000103048033 555229692 /nfs/dbraw/zinc/22/96/92/555229692.db2.gz FTDXTOKPNVLPJZ-MRXNPFEDSA-N 0 0 547.609 4.483 50 5 KIBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCC(C)C)nn1-c1ccc(F)cc1 ZINC000103048036 555229727 /nfs/dbraw/zinc/22/97/27/555229727.db2.gz FTDXTOKPNVLPJZ-INIZCTEOSA-N 0 0 547.609 4.483 50 5 KIBARN Cc1c(C(=O)NC[C@@H]2CCCO2)nn(-c2cccc(Cl)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)C ZINC000103048328 555229714 /nfs/dbraw/zinc/22/97/14/555229714.db2.gz KPPRKYXPLOYEFJ-NRFANRHFSA-N 0 0 592.074 4.378 50 5 KIBARN Cc1c(C(=O)NC[C@H]2CCCO2)nn(-c2cccc(Cl)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)C ZINC000103048330 555229708 /nfs/dbraw/zinc/22/97/08/555229708.db2.gz KPPRKYXPLOYEFJ-OAQYLSRUSA-N 0 0 592.074 4.378 50 5 KIBARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)COc3ccccc3[N+](=O)[O-])ccc2N2CCCCC2)cc1 ZINC000103050175 555232422 /nfs/dbraw/zinc/23/24/22/555232422.db2.gz WFHJVWSLKGOZRK-UHFFFAOYSA-N 0 0 540.598 4.412 50 5 KIBARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)ccc2N2CCCCC2)cc1 ZINC000103050220 555232737 /nfs/dbraw/zinc/23/27/37/555232737.db2.gz FMJFCDXSZVJOST-UHFFFAOYSA-N 0 0 595.678 4.483 50 5 KIBARN COc1ccc(CNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000103053628 555235262 /nfs/dbraw/zinc/23/52/62/555235262.db2.gz WJPPIDKPTOBDIP-UHFFFAOYSA-N 0 0 524.382 4.422 50 5 KIBARN O=c1c2ccccc2nnn1CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000103053774 555235644 /nfs/dbraw/zinc/23/56/44/555235644.db2.gz XXVNXQGXTMGHNL-UHFFFAOYSA-N 0 0 539.879 4.225 50 5 KIBARN CCCNC(=O)c1nn(-c2ccc(OC)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(C)(C)C)c1C ZINC000103056064 555237434 /nfs/dbraw/zinc/23/74/34/555237434.db2.gz QMAIJKQATRUZDI-UHFFFAOYSA-N 0 0 545.618 4.106 50 5 KIBARN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000103059973 555240628 /nfs/dbraw/zinc/24/06/28/555240628.db2.gz UCIKIMLSQKITDW-KRWDZBQOSA-N 0 0 549.911 4.180 50 5 KIBARN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000103059976 555240651 /nfs/dbraw/zinc/24/06/51/555240651.db2.gz UCIKIMLSQKITDW-QGZVFWFLSA-N 0 0 549.911 4.180 50 5 KIBARN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)Nc1nc(C)c(Cl)cc1Cl ZINC000103060012 555240576 /nfs/dbraw/zinc/24/05/76/555240576.db2.gz XZIHZGYDNIJEOJ-MRXNPFEDSA-N 0 0 549.820 4.292 50 5 KIBARN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)Nc1nc(C)c(Cl)cc1Cl ZINC000103060016 555240639 /nfs/dbraw/zinc/24/06/39/555240639.db2.gz XZIHZGYDNIJEOJ-INIZCTEOSA-N 0 0 549.820 4.292 50 5 KIBARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000103060700 555241954 /nfs/dbraw/zinc/24/19/54/555241954.db2.gz GOWNHPRMMOILHQ-UHFFFAOYSA-N 0 0 542.898 4.121 50 5 KIBARN Cn1nnnc1Sc1ccc(C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)cc1[N+](=O)[O-] ZINC000103061528 555242927 /nfs/dbraw/zinc/24/29/27/555242927.db2.gz BBFPFEXOLVURRA-UHFFFAOYSA-N 0 0 520.552 4.256 50 5 KIBARN O=C(CNS(=O)(=O)/C=C/c1ccccc1)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000103063214 555244005 /nfs/dbraw/zinc/24/40/05/555244005.db2.gz MHOKLNQFQQXWMR-ZVQQDINOSA-N 0 0 529.958 4.062 50 5 KIBARN O=C(CNS(=O)(=O)/C=C/c1ccccc1)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000103063219 555244012 /nfs/dbraw/zinc/24/40/12/555244012.db2.gz MHOKLNQFQQXWMR-YAOQVBECSA-N 0 0 529.958 4.062 50 5 KIBARN C[C@H](NC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)C1=O)c1ccccc1 ZINC000103063617 555244214 /nfs/dbraw/zinc/24/42/14/555244214.db2.gz YJJLFSAPJBLEKR-NRFANRHFSA-N 0 0 576.053 4.407 50 5 KIBARN C[C@@H](NC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)C1=O)c1ccccc1 ZINC000103063619 555244242 /nfs/dbraw/zinc/24/42/42/555244242.db2.gz YJJLFSAPJBLEKR-OAQYLSRUSA-N 0 0 576.053 4.407 50 5 KIBARN CCOc1ccc(NC(=O)COC(=O)c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)c([N+](=O)[O-])c1 ZINC000103064841 555245444 /nfs/dbraw/zinc/24/54/44/555245444.db2.gz RPFLGDPIMURGLG-UHFFFAOYSA-N 0 0 527.555 4.207 50 5 KIBARN Cc1c(C(=O)NCC(C)C)nn(-c2ccc(F)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)C ZINC000103065896 555246246 /nfs/dbraw/zinc/24/62/46/555246246.db2.gz BDTRMEOWPUQADV-UHFFFAOYSA-N 0 0 533.582 4.093 50 5 KIBARN COc1cc(N2C(=O)c3ccccc3C2=O)c(Cl)cc1C(=O)OCC(=O)Nc1cc(OC)c([N+](=O)[O-])cc1C ZINC000103066996 555247148 /nfs/dbraw/zinc/24/71/48/555247148.db2.gz GOBLHIFZPBTIJJ-UHFFFAOYSA-N 0 0 553.911 4.170 50 5 KIBARN Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2nnc(-c3ccc(N(C)C)cc3)s2)cc1[N+](=O)[O-] ZINC000103067213 555247405 /nfs/dbraw/zinc/24/74/05/555247405.db2.gz MDLRGAFNDCKQIO-QFIPXVFZSA-N 0 0 530.610 4.468 50 5 KIBARN Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2nnc(-c3ccc(N(C)C)cc3)s2)cc1[N+](=O)[O-] ZINC000103067215 555247382 /nfs/dbraw/zinc/24/73/82/555247382.db2.gz MDLRGAFNDCKQIO-JOCHJYFZSA-N 0 0 530.610 4.468 50 5 KIBARN COc1ccc(CCN(CCc2nc(-c3cccc([N+](=O)[O-])c3)no2)C(=O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000103068132 555248556 /nfs/dbraw/zinc/24/85/56/555248556.db2.gz FDASJGRZBFXOHM-UHFFFAOYSA-N 0 0 547.524 4.498 50 5 KIBARN COc1cccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)nnc2-c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000103069948 555250662 /nfs/dbraw/zinc/25/06/62/555250662.db2.gz HBROUEQVMCEYPS-UHFFFAOYSA-N 0 0 603.082 4.486 50 5 KIBARN O=C(COC(=O)C1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000103070748 555251402 /nfs/dbraw/zinc/25/14/02/555251402.db2.gz GOVAIZTYWPOTLG-UHFFFAOYSA-N 0 0 550.804 4.138 50 5 KIBARN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)O[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CC2)cc1 ZINC000103070797 555251685 /nfs/dbraw/zinc/25/16/85/555251685.db2.gz GTVVUDIYQBWBSL-INIZCTEOSA-N 0 0 538.022 4.343 50 5 KIBARN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)O[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CC2)cc1 ZINC000103070800 555251663 /nfs/dbraw/zinc/25/16/63/555251663.db2.gz GTVVUDIYQBWBSL-MRXNPFEDSA-N 0 0 538.022 4.343 50 5 KIBARN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000103070805 555251679 /nfs/dbraw/zinc/25/16/79/555251679.db2.gz RQPDHEWXBSDGPB-INIZCTEOSA-N 0 0 538.022 4.343 50 5 KIBARN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000103070808 555251661 /nfs/dbraw/zinc/25/16/61/555251661.db2.gz RQPDHEWXBSDGPB-MRXNPFEDSA-N 0 0 538.022 4.343 50 5 KIBARN COc1cc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)c(C)cc1[N+](=O)[O-] ZINC000103071199 555251683 /nfs/dbraw/zinc/25/16/83/555251683.db2.gz NBRQWUBCYVCUIF-UHFFFAOYSA-N 0 0 593.964 4.167 50 5 KIBARN CCCc1nc2sc3c(c2c(N2CCN(S(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)CC2)n1)CCN(CC)C3 ZINC000103072705 555252677 /nfs/dbraw/zinc/25/26/77/555252677.db2.gz GPEVQMJFGIBZLQ-UHFFFAOYSA-N 0 0 565.121 4.094 50 5 KIBARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000103076055 555255362 /nfs/dbraw/zinc/25/53/62/555255362.db2.gz ICLYISZJZOECAW-UHFFFAOYSA-N 0 0 539.566 4.132 50 5 KIBARN CC(C)C[C@@H](C(=O)OCC(=O)Nc1c(Br)cc([N+](=O)[O-])cc1Br)N1C(=O)c2ccccc2C1=O ZINC000103078322 555257004 /nfs/dbraw/zinc/25/70/04/555257004.db2.gz AMJACXMTZILATJ-KRWDZBQOSA-N 0 0 597.216 4.312 50 5 KIBARN CC(C)C[C@H](C(=O)OCC(=O)Nc1c(Br)cc([N+](=O)[O-])cc1Br)N1C(=O)c2ccccc2C1=O ZINC000103078325 555256961 /nfs/dbraw/zinc/25/69/61/555256961.db2.gz AMJACXMTZILATJ-QGZVFWFLSA-N 0 0 597.216 4.312 50 5 KIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000103078474 555257277 /nfs/dbraw/zinc/25/72/77/555257277.db2.gz PUYNXPPCHCIXJD-UHFFFAOYSA-N 0 0 547.442 4.435 50 5 KIBARN COc1ccc(OC)c(-n2c(=O)c3ccccc3nc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000103078707 555257509 /nfs/dbraw/zinc/25/75/09/555257509.db2.gz ZSUCXHNAWFOEDG-UHFFFAOYSA-N 0 0 522.539 4.051 50 5 KIBARN Cc1cc(NC(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)c2)c([N+](=O)[O-])cc1C ZINC000103080029 555258627 /nfs/dbraw/zinc/25/86/27/555258627.db2.gz ZFVHPUXINFYFKF-UHFFFAOYSA-N 0 0 605.044 4.311 50 5 KIBARN Cc1c(NC(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)c2)cccc1[N+](=O)[O-] ZINC000103080106 555258891 /nfs/dbraw/zinc/25/88/91/555258891.db2.gz ANFPIPNMOHGIJD-UHFFFAOYSA-N 0 0 591.017 4.002 50 5 KIBARN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CCN2CCOCC2)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)o1 ZINC000103080649 555259466 /nfs/dbraw/zinc/25/94/66/555259466.db2.gz IUWIRZXXCJMMHY-NTUHNPAUSA-N 0 0 564.614 4.038 50 5 KIBARN CCOC(=O)c1c(C)c(Cc2ccc3c(c2)OCO3)sc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])s1 ZINC000103081114 555259728 /nfs/dbraw/zinc/25/97/28/555259728.db2.gz UOMKEXHWAIVNEN-UHFFFAOYSA-N 0 0 532.552 4.318 50 5 KIBARN Cc1ccc(NC(=O)[C@H](OC(=O)CNC(=O)c2ccc(Br)cc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000103081169 555259941 /nfs/dbraw/zinc/25/99/41/555259941.db2.gz NGRJTTYALWSIMY-JOCHJYFZSA-N 0 0 526.343 4.319 50 5 KIBARN Cc1ccc(NC(=O)[C@@H](OC(=O)CNC(=O)c2ccc(Br)cc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000103081171 555259894 /nfs/dbraw/zinc/25/98/94/555259894.db2.gz NGRJTTYALWSIMY-QFIPXVFZSA-N 0 0 526.343 4.319 50 5 KIBARN O=C(CN(CCN1CCOCC1)C(=O)c1ccccc1Cl)N1N=C(c2cccs2)C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000103081503 555260134 /nfs/dbraw/zinc/26/01/34/555260134.db2.gz IIXQFFAPLUKKJP-VWLOTQADSA-N 0 0 582.082 4.462 50 5 KIBARN O=C(CN(CCN1CCOCC1)C(=O)c1ccccc1Cl)N1N=C(c2cccs2)C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000103081507 555260175 /nfs/dbraw/zinc/26/01/75/555260175.db2.gz IIXQFFAPLUKKJP-RUZDIDTESA-N 0 0 582.082 4.462 50 5 KIBARN CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1cccc([N+](=O)[O-])c1 ZINC000103083585 555262418 /nfs/dbraw/zinc/26/24/18/555262418.db2.gz BPCZTAVAXPDDGL-WDMNMGCXSA-N 0 0 502.527 4.411 50 5 KIBARN CCNC(=O)NC(=O)[C@H](C)OC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1cccc([N+](=O)[O-])c1 ZINC000103083590 555262412 /nfs/dbraw/zinc/26/24/12/555262412.db2.gz BPCZTAVAXPDDGL-KXGFGANYSA-N 0 0 502.527 4.411 50 5 KIBARN NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2c3ccccc3nc3c2CCC/C3=C\c2cccc([N+](=O)[O-])c2)cc1 ZINC000103083662 555262575 /nfs/dbraw/zinc/26/25/75/555262575.db2.gz LEDJZAJLKPVEBK-XDJHFCHBSA-N 0 0 572.599 4.463 50 5 KIBARN COc1cc(NC(=O)c2cccs2)c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000103085514 555264282 /nfs/dbraw/zinc/26/42/82/555264282.db2.gz JANUMSITEDXLDF-UHFFFAOYSA-N 0 0 519.919 4.375 50 5 KIBARN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000103085806 555264437 /nfs/dbraw/zinc/26/44/37/555264437.db2.gz DQHWBVACWLJQCD-UHFFFAOYSA-N 0 0 530.942 4.223 50 5 KIBARN O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000103086022 555264705 /nfs/dbraw/zinc/26/47/05/555264705.db2.gz YKXFZGYYGSODKT-UHFFFAOYSA-N 0 0 564.649 4.358 50 5 KIBARN O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000103086035 555264707 /nfs/dbraw/zinc/26/47/07/555264707.db2.gz AIVMRGCJWDESHE-UHFFFAOYSA-N 0 0 564.649 4.358 50 5 KIBARN C[C@@H](C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000103088418 555267341 /nfs/dbraw/zinc/26/73/41/555267341.db2.gz CGQRGUDETYXQMQ-QKKBWIMNSA-N 0 0 552.337 4.265 50 5 KIBARN C[C@H](C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000103088423 555267373 /nfs/dbraw/zinc/26/73/73/555267373.db2.gz CGQRGUDETYXQMQ-SZNDQCEHSA-N 0 0 552.337 4.265 50 5 KIBARN C[C@@H](C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000103088428 555267387 /nfs/dbraw/zinc/26/73/87/555267387.db2.gz CGQRGUDETYXQMQ-LHSJRXKWSA-N 0 0 552.337 4.265 50 5 KIBARN C[C@H](C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000103088430 555267402 /nfs/dbraw/zinc/26/74/02/555267402.db2.gz CGQRGUDETYXQMQ-SPLOXXLWSA-N 0 0 552.337 4.265 50 5 KIBARN COc1ccc(-n2nc(C(=O)NC(C)C)c(C)c2Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(C)(C)C)cc1 ZINC000103089753 555268704 /nfs/dbraw/zinc/26/87/04/555268704.db2.gz OELFSYDSKAIAHY-UHFFFAOYSA-N 0 0 545.618 4.105 50 5 KIBARN CCc1nc(C)nc(N2CCN(S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)c1Cc1ccc(C)cc1 ZINC000103090097 555269123 /nfs/dbraw/zinc/26/91/23/555269123.db2.gz UDGATGKEECILLT-UHFFFAOYSA-N 0 0 530.050 4.319 50 5 KIBARN C[C@H](OC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000103090885 555269725 /nfs/dbraw/zinc/26/97/25/555269725.db2.gz TWHYOALGYIXNQG-AWEZNQCLSA-N 0 0 561.956 4.004 50 5 KIBARN C[C@@H](OC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000103090886 555269608 /nfs/dbraw/zinc/26/96/08/555269608.db2.gz TWHYOALGYIXNQG-CQSZACIVSA-N 0 0 561.956 4.004 50 5 KIBARN CCOC(=O)C1=C(COC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)NC(=O)N[C@@H]1c1cccs1 ZINC000103091306 555270198 /nfs/dbraw/zinc/27/01/98/555270198.db2.gz XXJRVIXSYVBTLS-VBURHUQHSA-N 0 0 542.614 4.167 50 5 KIBARN CCOC(=O)C1=C(COC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)NC(=O)N[C@H]1c1cccs1 ZINC000103091309 555270211 /nfs/dbraw/zinc/27/02/11/555270211.db2.gz XXJRVIXSYVBTLS-PXAQALGRSA-N 0 0 542.614 4.167 50 5 KIBARN C[C@@H]1CCCN(c2ccc(C(=O)OCC(=O)Nc3ccc(I)cc3)cc2[N+](=O)[O-])C1 ZINC000103093230 555272137 /nfs/dbraw/zinc/27/21/37/555272137.db2.gz WIGCVODXYFGGNV-CQSZACIVSA-N 0 0 523.327 4.231 50 5 KIBARN C[C@H]1CCCN(c2ccc(C(=O)OCC(=O)Nc3ccc(I)cc3)cc2[N+](=O)[O-])C1 ZINC000103093233 555272189 /nfs/dbraw/zinc/27/21/89/555272189.db2.gz WIGCVODXYFGGNV-AWEZNQCLSA-N 0 0 523.327 4.231 50 5 KIBARN Cc1ccc(NC(=O)[C@H](OC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000103093545 555272560 /nfs/dbraw/zinc/27/25/60/555272560.db2.gz NDZZSQHFFVZPRO-HSZRJFAPSA-N 0 0 543.623 4.289 50 5 KIBARN Cc1ccc(NC(=O)[C@@H](OC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000103093548 555272565 /nfs/dbraw/zinc/27/25/65/555272565.db2.gz NDZZSQHFFVZPRO-QHCPKHFHSA-N 0 0 543.623 4.289 50 5 KIBARN COc1ccc([C@H]2c3ccsc3CCN2CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[C@H](C)C2)cc1 ZINC000103096793 555274358 /nfs/dbraw/zinc/27/43/58/555274358.db2.gz UISXWPQYBCBOJK-CLYVBNDRSA-N 0 0 605.138 4.187 50 5 KIBARN COc1ccc([C@H]2c3ccsc3CCN2CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H](C)C2)cc1 ZINC000103096797 555274382 /nfs/dbraw/zinc/27/43/82/555274382.db2.gz UISXWPQYBCBOJK-MYUZEXMDSA-N 0 0 605.138 4.187 50 5 KIBARN Cc1cc(NC(=O)COC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)c([N+](=O)[O-])cc1C ZINC000103097935 555275135 /nfs/dbraw/zinc/27/51/35/555275135.db2.gz LPLPAXHLUIHJHW-UHFFFAOYSA-N 0 0 531.974 4.486 50 5 KIBARN O=[N+]([O-])c1ccccc1-c1nnc2c3ccccc3nc(N3CCN(Cc4cccc(F)c4F)CC3)n21 ZINC000103098409 555275691 /nfs/dbraw/zinc/27/56/91/555275691.db2.gz XVVMPCOLQWYPRT-UHFFFAOYSA-N 0 0 501.497 4.453 50 5 KIBARN O=C(CSc1nncn1-c1ccccc1)Nc1c(Br)cc([N+](=O)[O-])cc1Br ZINC000103098522 555275958 /nfs/dbraw/zinc/27/59/58/555275958.db2.gz GOATVEUXFWWFAU-UHFFFAOYSA-N 0 0 513.171 4.431 50 5 KIBARN Cc1c(C(=O)NC2CC2)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000103099530 555277018 /nfs/dbraw/zinc/27/70/18/555277018.db2.gz SNFXGZDFVDXUAD-UHFFFAOYSA-N 0 0 539.614 4.175 50 5 KIBARN CCCNC(=O)c1nn(-c2cc(C)ccc2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)c1C ZINC000103099551 555277014 /nfs/dbraw/zinc/27/70/14/555277014.db2.gz AULPWHJQGUDQPV-UHFFFAOYSA-N 0 0 541.630 4.422 50 5 KIBARN Cc1c(C(=O)NC[C@@H]2CCCO2)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000103099593 555277208 /nfs/dbraw/zinc/27/72/08/555277208.db2.gz QMCRIAGPSDNMHC-QFIPXVFZSA-N 0 0 583.667 4.191 50 5 KIBARN Cc1c(C(=O)NC[C@H]2CCCO2)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000103099597 555277268 /nfs/dbraw/zinc/27/72/68/555277268.db2.gz QMCRIAGPSDNMHC-JOCHJYFZSA-N 0 0 583.667 4.191 50 5 KIBARN Cc1c(C(=O)OCC(=O)Nc2c(Br)cc([N+](=O)[O-])cc2Br)cccc1[N+](=O)[O-] ZINC000103100598 555278271 /nfs/dbraw/zinc/27/82/71/555278271.db2.gz KQQFEQDRKNTEIR-UHFFFAOYSA-N 0 0 517.086 4.132 50 5 KIBARN CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)OCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1 ZINC000103101815 555279299 /nfs/dbraw/zinc/27/92/99/555279299.db2.gz ANFKGZGPQQEKBZ-UHFFFAOYSA-N 0 0 533.946 4.243 50 5 KIBARN Cc1cccc(C)c1-n1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1cccc(S(=O)(=O)N(C)C)c1 ZINC000103104553 555281818 /nfs/dbraw/zinc/28/18/18/555281818.db2.gz HMKXWFZZPZSYMD-UHFFFAOYSA-N 0 0 566.665 4.440 50 5 KIBARN CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2ccco2)nn1-c1ccc(OC)cc1 ZINC000103107079 555283346 /nfs/dbraw/zinc/28/33/46/555283346.db2.gz KAZPNKDKBYHQIJ-UHFFFAOYSA-N 0 0 569.596 4.101 50 5 KIBARN CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC2CC2)nn1-c1cccc(Cl)c1 ZINC000103107090 555283352 /nfs/dbraw/zinc/28/33/52/555283352.db2.gz NAONYERAQSCKGV-UHFFFAOYSA-N 0 0 533.994 4.115 50 5 KIBARN Cc1c(C(=O)NCc2ccco2)nn(C(C)(C)C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000103107188 555283610 /nfs/dbraw/zinc/28/36/10/555283610.db2.gz KKGICPOYSRKGKR-UHFFFAOYSA-N 0 0 533.607 4.247 50 5 KIBARN Cc1c(C(=O)NCc2cccnc2)nn(-c2ccc(F)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)C ZINC000103109749 555284790 /nfs/dbraw/zinc/28/47/90/555284790.db2.gz JHECIZMRGKPPKD-UHFFFAOYSA-N 0 0 582.614 4.280 50 5 KIBARN C[C@H](OC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000103111153 555285259 /nfs/dbraw/zinc/28/52/59/555285259.db2.gz XNSSNBGXWHBBPU-KRWDZBQOSA-N 0 0 537.956 4.500 50 5 KIBARN C[C@@H](OC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000103111155 555285326 /nfs/dbraw/zinc/28/53/26/555285326.db2.gz XNSSNBGXWHBBPU-QGZVFWFLSA-N 0 0 537.956 4.500 50 5 KIBARN Cc1cc2oc(=O)cc(COC(=O)C3CCN(S(=O)(=O)c4cc([N+](=O)[O-])ccc4Cl)CC3)c2cc1C ZINC000103113267 555286391 /nfs/dbraw/zinc/28/63/91/555286391.db2.gz VDKAICQYMJYBOO-UHFFFAOYSA-N 0 0 534.974 4.116 50 5 KIBARN O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000103113288 555286412 /nfs/dbraw/zinc/28/64/12/555286412.db2.gz QBJZMKCTSHTHOH-UHFFFAOYSA-N 0 0 541.369 4.096 50 5 KIBARN O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc2c(c1)OCO2 ZINC000103113594 555286866 /nfs/dbraw/zinc/28/68/66/555286866.db2.gz MJGPQXUOURBQNM-UHFFFAOYSA-N 0 0 524.338 4.464 50 5 KIBARN COCCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000103115580 555287779 /nfs/dbraw/zinc/28/77/79/555287779.db2.gz GOEDPRMWCWYTJT-UHFFFAOYSA-N 0 0 553.612 4.264 50 5 KIBARN COc1cccc(CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3)n2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000103117361 555288895 /nfs/dbraw/zinc/28/88/95/555288895.db2.gz WRRQNFNDNVFRQE-UHFFFAOYSA-N 0 0 520.527 4.315 50 5 KIBARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000103118297 555289023 /nfs/dbraw/zinc/28/90/23/555289023.db2.gz CNGFIIQZYQYQKO-AREMUKBSSA-N 0 0 543.667 4.166 50 5 KIBARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000103118301 555289038 /nfs/dbraw/zinc/28/90/38/555289038.db2.gz CNGFIIQZYQYQKO-SANMLTNESA-N 0 0 543.667 4.166 50 5 KIBARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000103123803 555291761 /nfs/dbraw/zinc/29/17/61/555291761.db2.gz IDMYLFKCEPGPDR-UHFFFAOYSA-N 0 0 539.541 4.284 50 5 KIBARN O=C(COC(=O)C[C@@H]1Sc2ccccc2NC1=O)Nc1c(Br)cc([N+](=O)[O-])cc1Br ZINC000103128027 555295962 /nfs/dbraw/zinc/29/59/62/555295962.db2.gz GKISKCHQFRMRLV-AWEZNQCLSA-N 0 0 559.192 4.105 50 5 KIBARN O=C(COC(=O)C[C@H]1Sc2ccccc2NC1=O)Nc1c(Br)cc([N+](=O)[O-])cc1Br ZINC000103128032 555296087 /nfs/dbraw/zinc/29/60/87/555296087.db2.gz GKISKCHQFRMRLV-CQSZACIVSA-N 0 0 559.192 4.105 50 5 KIBARN Cc1ccc(C(=O)c2c(NC(=O)COC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)sc3c2CCCC3)cc1 ZINC000103128481 555296777 /nfs/dbraw/zinc/29/67/77/555296777.db2.gz GQPLQKXEODGYBQ-UHFFFAOYSA-N 0 0 556.618 4.274 50 5 KIBARN Cc1ccc(S(=O)(=O)N(C)C)cc1-n1c(=O)c2ccccc2nc1SCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000103129607 555298236 /nfs/dbraw/zinc/29/82/36/555298236.db2.gz GQYYMJCHAJURRX-UHFFFAOYSA-N 0 0 568.633 4.011 50 5 KIBARN CCS(=O)(=O)N(CC(=O)N(Cc1ccc(C)cc1)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1)CC(C)C ZINC000103134948 555304541 /nfs/dbraw/zinc/30/45/41/555304541.db2.gz QCLVGOIVKIQMJK-UHFFFAOYSA-N 0 0 573.716 4.236 50 5 KIBARN CCCN(CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)S(=O)(=O)c1ccccc1 ZINC000103135495 555305025 /nfs/dbraw/zinc/30/50/25/555305025.db2.gz AGPXFWMKSZYXBD-UHFFFAOYSA-N 0 0 596.681 4.468 50 5 KIBARN CCCN(CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1)S(=O)(=O)c1ccccc1 ZINC000103135510 555304935 /nfs/dbraw/zinc/30/49/35/555304935.db2.gz WDBIPDZEKCSVIO-UHFFFAOYSA-N 0 0 596.681 4.468 50 5 KIBARN COc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1S(=O)(=O)N1CCCc2ccccc21 ZINC000103137336 555307405 /nfs/dbraw/zinc/30/74/05/555307405.db2.gz RUUOQVWXFXVMJQ-UHFFFAOYSA-N 0 0 559.984 4.194 50 5 KIBARN CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000103142077 555311553 /nfs/dbraw/zinc/31/15/53/555311553.db2.gz PGPUNDWSMCWGFT-UHFFFAOYSA-N 0 0 549.657 4.276 50 5 KIBARN CCN1C(=S)N[C@@H](c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)C(C(=O)OCCOC)=C1C ZINC000103148272 555315166 /nfs/dbraw/zinc/31/51/66/555315166.db2.gz WYKOVRLNUIFFCA-NRFANRHFSA-N 0 0 533.006 4.215 50 5 KIBARN CCN1C(=S)N[C@H](c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)C(C(=O)OCCOC)=C1C ZINC000103148274 555315158 /nfs/dbraw/zinc/31/51/58/555315158.db2.gz WYKOVRLNUIFFCA-OAQYLSRUSA-N 0 0 533.006 4.215 50 5 KIBARN COCCCN(CC(=O)N(Cc1sccc1C)Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000103150227 555316297 /nfs/dbraw/zinc/31/62/97/555316297.db2.gz UFPOCGZROHLLSC-UHFFFAOYSA-N 0 0 531.656 4.221 50 5 KIBARN COCCN(CC(=O)N(Cc1cccs1)Cc1ccc(F)cc1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000103150313 555316192 /nfs/dbraw/zinc/31/61/92/555316192.db2.gz AJBVHZLAQXXSKQ-UHFFFAOYSA-N 0 0 530.534 4.021 50 5 KIBARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)N3CCOCC3)N2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000103189666 555332952 /nfs/dbraw/zinc/33/29/52/555332952.db2.gz HDOCRWBBSBFMJF-RUZDIDTESA-N 0 0 534.594 4.119 50 5 KIBARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)N3CCOCC3)N2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000103189670 555332857 /nfs/dbraw/zinc/33/28/57/555332857.db2.gz HDOCRWBBSBFMJF-VWLOTQADSA-N 0 0 534.594 4.119 50 5 KIBARN COc1ccc(-n2nc(C(=O)NCC(C)C)c(C)c2Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NCC(C)C)cc1 ZINC000103199797 555336645 /nfs/dbraw/zinc/33/66/45/555336645.db2.gz FDZCRAQEVITGDL-UHFFFAOYSA-N 0 0 559.645 4.210 50 5 KIBARN COc1ccc(-n2nc(C(=O)NCC(C)C)c(C)c2Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(C)(C)C)cc1 ZINC000103199934 555336873 /nfs/dbraw/zinc/33/68/73/555336873.db2.gz ZJDYNSDOXJOGMJ-UHFFFAOYSA-N 0 0 559.645 4.352 50 5 KIBARN CC[C@@H](C)NC(=O)c1nn(-c2ccc(OC)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NCC(C)C)c1C ZINC000103199938 555336931 /nfs/dbraw/zinc/33/69/31/555336931.db2.gz HZMXOULGBLSFDB-QGZVFWFLSA-N 0 0 559.645 4.352 50 5 KIBARN CC[C@H](C)NC(=O)c1nn(-c2ccc(OC)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NCC(C)C)c1C ZINC000103199941 555336919 /nfs/dbraw/zinc/33/69/19/555336919.db2.gz HZMXOULGBLSFDB-KRWDZBQOSA-N 0 0 559.645 4.352 50 5 KIBARN CC1(C)C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@](C)(CNC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000103245962 555343235 /nfs/dbraw/zinc/34/32/35/555343235.db2.gz YMEPFKDAUUAOLX-LFPIHBKWSA-N 0 0 558.504 4.064 50 5 KIBARN CC1(C)C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@](C)(CNC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000103245966 555343122 /nfs/dbraw/zinc/34/31/22/555343122.db2.gz YMEPFKDAUUAOLX-JBEBIEQOSA-N 0 0 558.504 4.064 50 5 KIBARN CC1(C)C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@](C)(CNC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000103245969 555343146 /nfs/dbraw/zinc/34/31/46/555343146.db2.gz YMEPFKDAUUAOLX-BSEYFRJRSA-N 0 0 558.504 4.064 50 5 KIBARN CC1(C)C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@](C)(CNC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000103245972 555343617 /nfs/dbraw/zinc/34/36/17/555343617.db2.gz YMEPFKDAUUAOLX-SHACYNPGSA-N 0 0 558.504 4.064 50 5 KIBARN COc1ccc(-n2nc(C(=O)NCc3cccnc3)c(C)c2Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(C)(C)C)cc1 ZINC000103246392 555343602 /nfs/dbraw/zinc/34/36/02/555343602.db2.gz FYFFEPHVYGXTTE-UHFFFAOYSA-N 0 0 594.650 4.292 50 5 KIBARN COc1ccc(-n2nc(C(=O)NCc3ccco3)c(C)c2Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NCC(C)C)cc1 ZINC000103246542 555343526 /nfs/dbraw/zinc/34/35/26/555343526.db2.gz VJGKVEBLJVOFKJ-UHFFFAOYSA-N 0 0 583.623 4.347 50 5 KIBARN CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N2CCCC2)nn1-c1cccc(C)c1C ZINC000103265559 555347270 /nfs/dbraw/zinc/34/72/70/555347270.db2.gz DUSMIXHGKLNEOW-UHFFFAOYSA-N 0 0 541.630 4.422 50 5 KIBARN CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@@H]2CCCO2)nn1-c1cccc(C)c1C ZINC000103265570 555347391 /nfs/dbraw/zinc/34/73/91/555347391.db2.gz YWJLSQGAWDNWAN-NRFANRHFSA-N 0 0 571.656 4.095 50 5 KIBARN CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@H]2CCCO2)nn1-c1cccc(C)c1C ZINC000103265571 555347317 /nfs/dbraw/zinc/34/73/17/555347317.db2.gz YWJLSQGAWDNWAN-OAQYLSRUSA-N 0 0 571.656 4.095 50 5 KIBARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)N2C(CC(=O)N3CCN(C)CC3)=CSC2=N1 ZINC000103274834 555349421 /nfs/dbraw/zinc/34/94/21/555349421.db2.gz AHJGCHZVWNVUIF-SANMLTNESA-N 0 0 547.637 4.077 50 5 KIBARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N2C(CC(=O)N3CCN(C)CC3)=CSC2=N1 ZINC000103274836 555349406 /nfs/dbraw/zinc/34/94/06/555349406.db2.gz AHJGCHZVWNVUIF-AREMUKBSSA-N 0 0 547.637 4.077 50 5 KIBARN Cc1ccccc1-c1nnc2c3ccccc3nc(N3CCN(C(=O)c4ccc(C)c([N+](=O)[O-])c4)CC3)n12 ZINC000103323477 555358677 /nfs/dbraw/zinc/35/86/77/555358677.db2.gz MDVDYKZWSQHZFI-UHFFFAOYSA-N 0 0 507.554 4.432 50 5 KIBARN CS(=O)(=O)N1CCN(Cc2c(-c3ccc([N+](=O)[O-])cc3)nc3ccc(-c4cccc(Cl)c4)cn32)CC1 ZINC000103360355 555364569 /nfs/dbraw/zinc/36/45/69/555364569.db2.gz CXHWEKVLPACNSZ-UHFFFAOYSA-N 0 0 526.018 4.307 50 5 KIBARN O=C(CN(CCN1CCOCC1)C(=O)c1ccccc1F)N1N=C(c2ccc(F)cc2)C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000103361002 555364948 /nfs/dbraw/zinc/36/49/48/555364948.db2.gz HEYLIEOYDKTQKA-NDEPHWFRSA-N 0 0 577.588 4.025 50 5 KIBARN O=C(CN(CCN1CCOCC1)C(=O)c1ccccc1F)N1N=C(c2ccc(F)cc2)C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000103361004 555364962 /nfs/dbraw/zinc/36/49/62/555364962.db2.gz HEYLIEOYDKTQKA-MUUNZHRXSA-N 0 0 577.588 4.025 50 5 KIBARN C[C@@H]1CN(C(=O)CN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000103361232 555364938 /nfs/dbraw/zinc/36/49/38/555364938.db2.gz IBAFJILQFNXYEX-QUGAMOGWSA-N 0 0 593.102 4.318 50 5 KIBARN C[C@H]1CN(C(=O)CN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000103361235 555365230 /nfs/dbraw/zinc/36/52/30/555365230.db2.gz IBAFJILQFNXYEX-QLXKLKPCSA-N 0 0 593.102 4.318 50 5 KIBARN Cc1ccccc1[C@@H]1c2ccsc2CCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000103368015 555366214 /nfs/dbraw/zinc/36/62/14/555366214.db2.gz YDCWHIJJWPXFOJ-XHCCPWGMSA-N 0 0 589.139 4.487 50 5 KIBARN Cc1ccccc1[C@H]1c2ccsc2CCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000103368018 555366179 /nfs/dbraw/zinc/36/61/79/555366179.db2.gz YDCWHIJJWPXFOJ-WINIVTDRSA-N 0 0 589.139 4.487 50 5 KIBARN Cc1ccc([C@@H]2c3ccsc3CCN2CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[C@H](C)C2)cc1 ZINC000103368302 555366169 /nfs/dbraw/zinc/36/61/69/555366169.db2.gz GTJMXBROCOSFQZ-XHCCPWGMSA-N 0 0 589.139 4.487 50 5 KIBARN Cc1ccc([C@H]2c3ccsc3CCN2CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[C@H](C)C2)cc1 ZINC000103368305 555366201 /nfs/dbraw/zinc/36/62/01/555366201.db2.gz GTJMXBROCOSFQZ-WINIVTDRSA-N 0 0 589.139 4.487 50 5 KIBARN Cc1ccsc1CN(Cc1ccc(F)cc1)C(=O)CN(CCN1CCOCC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000103387616 555374770 /nfs/dbraw/zinc/37/47/70/555374770.db2.gz IGOMDPMCJPLMAY-UHFFFAOYSA-N 0 0 554.644 4.107 50 5 KIBARN Cc1c(C(=O)NCc2ccco2)nn(-c2ccccc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000103392477 555376579 /nfs/dbraw/zinc/37/65/79/555376579.db2.gz QDTVDIAMTDZEHQ-UHFFFAOYSA-N 0 0 551.581 4.189 50 5 KIBARN Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)nn(C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)C ZINC000103392479 555376582 /nfs/dbraw/zinc/37/65/82/555376582.db2.gz SDQQEHXFRPQGDB-UHFFFAOYSA-N 0 0 555.535 4.065 50 5 KIBARN Cc1c(C(=O)NCc2cccnc2)nn(-c2cccc(F)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000103395901 555381172 /nfs/dbraw/zinc/38/11/72/555381172.db2.gz VKYCSFAMDLGVDJ-UHFFFAOYSA-N 0 0 582.614 4.422 50 5 KIBARN Cc1c(C(=O)NCc2cccnc2)nn(-c2cccc(Cl)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC1 ZINC000103395938 555381111 /nfs/dbraw/zinc/38/11/11/555381111.db2.gz IRAZZLINQOOMGY-UHFFFAOYSA-N 0 0 583.026 4.300 50 5 KIBARN CCCNC(=O)c1nn(-c2ccc(F)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N[C@@H](C)CC)c1C ZINC000103395945 555381106 /nfs/dbraw/zinc/38/11/06/555381106.db2.gz PRJZTTMOJDGBDQ-HNNXBMFYSA-N 0 0 533.582 4.237 50 5 KIBARN CCCNC(=O)c1nn(-c2ccc(F)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N[C@H](C)CC)c1C ZINC000103395948 555381131 /nfs/dbraw/zinc/38/11/31/555381131.db2.gz PRJZTTMOJDGBDQ-OAHLLOKOSA-N 0 0 533.582 4.237 50 5 KIBARN Cc1c(C(=O)NC[C@@H]2CCCO2)nn(-c2cccc(F)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000103395954 555381166 /nfs/dbraw/zinc/38/11/66/555381166.db2.gz HTJVOHPOLFKVSN-FQEVSTJZSA-N 0 0 575.619 4.006 50 5 KIBARN Cc1c(C(=O)NC[C@H]2CCCO2)nn(-c2cccc(F)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000103395956 555381116 /nfs/dbraw/zinc/38/11/16/555381116.db2.gz HTJVOHPOLFKVSN-HXUWFJFHSA-N 0 0 575.619 4.006 50 5 KIBARN Cc1c(C(=O)NCc2ccco2)nn(-c2cccc(Cl)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC1 ZINC000103395978 555381192 /nfs/dbraw/zinc/38/11/92/555381192.db2.gz FCIJPFQUZLRGKI-UHFFFAOYSA-N 0 0 571.999 4.498 50 5 KIBARN Cc1c(C(=O)N2CCCC2)nn(-c2cccc(F)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000103395990 555381200 /nfs/dbraw/zinc/38/12/00/555381200.db2.gz FFTSUYCBIJJMSR-UHFFFAOYSA-N 0 0 545.593 4.333 50 5 KIBARN Cc1c(C(=O)N2CCCC2)nn(-c2cccc(Cl)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC1 ZINC000103396022 555381435 /nfs/dbraw/zinc/38/14/35/555381435.db2.gz BKAWCQYJFPLELQ-UHFFFAOYSA-N 0 0 546.005 4.211 50 5 KIBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccnc2)nn1-c1ccc(F)cc1 ZINC000103396026 555381443 /nfs/dbraw/zinc/38/14/43/555381443.db2.gz UVBRUUUAMHUGTO-QGZVFWFLSA-N 0 0 582.614 4.422 50 5 KIBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccnc2)nn1-c1ccc(F)cc1 ZINC000103396028 555381469 /nfs/dbraw/zinc/38/14/69/555381469.db2.gz UVBRUUUAMHUGTO-KRWDZBQOSA-N 0 0 582.614 4.422 50 5 KIBARN Cc1c(C(=O)NC(C)C)nn(-c2cccc(F)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000103396032 555381421 /nfs/dbraw/zinc/38/14/21/555381421.db2.gz XNSHRIZHZZKFTP-UHFFFAOYSA-N 0 0 533.582 4.235 50 5 KIBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@@H]2CCCO2)nn1-c1ccc(F)cc1 ZINC000103396060 555381320 /nfs/dbraw/zinc/38/13/20/555381320.db2.gz HTWPLIGOAUCHDY-IERDGZPVSA-N 0 0 575.619 4.006 50 5 KIBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@@H]2CCCO2)nn1-c1ccc(F)cc1 ZINC000103396063 555381496 /nfs/dbraw/zinc/38/14/96/555381496.db2.gz HTWPLIGOAUCHDY-KKSFZXQISA-N 0 0 575.619 4.006 50 5 KIBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@H]2CCCO2)nn1-c1ccc(F)cc1 ZINC000103396066 555381485 /nfs/dbraw/zinc/38/14/85/555381485.db2.gz HTWPLIGOAUCHDY-IIBYNOLFSA-N 0 0 575.619 4.006 50 5 KIBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@H]2CCCO2)nn1-c1ccc(F)cc1 ZINC000103396069 555381332 /nfs/dbraw/zinc/38/13/32/555381332.db2.gz HTWPLIGOAUCHDY-HRAATJIYSA-N 0 0 575.619 4.006 50 5 KIBARN Cc1c(C(=O)NCc2cccnc2)nn(-c2ccc(C)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)C ZINC000103396139 555381876 /nfs/dbraw/zinc/38/18/76/555381876.db2.gz APRMWQAETCQSAE-UHFFFAOYSA-N 0 0 578.651 4.449 50 5 KIBARN Cc1c(C(=O)NCC(C)C)nn(-c2cccc(F)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000103396220 555381825 /nfs/dbraw/zinc/38/18/25/555381825.db2.gz ASKPXOKSEMBRAK-UHFFFAOYSA-N 0 0 547.609 4.483 50 5 KIBARN CCCNC(=O)c1nn(-c2cccc(F)c2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(C)(C)C)c1C ZINC000103396223 555381734 /nfs/dbraw/zinc/38/17/34/555381734.db2.gz DHIGWPQIGUCPLX-UHFFFAOYSA-N 0 0 533.582 4.237 50 5 KIBARN Cc1c(C(=O)NCC(C)C)nn(-c2cccc(Cl)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC1 ZINC000103396253 555381835 /nfs/dbraw/zinc/38/18/35/555381835.db2.gz JVLJHIPJUZVBHV-UHFFFAOYSA-N 0 0 548.021 4.361 50 5 KIBARN CCCNC(=O)c1nn(-c2cccc(Cl)c2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC2CC2)c1C ZINC000103396258 555381912 /nfs/dbraw/zinc/38/19/12/555381912.db2.gz AGPRSDZMKYUBSQ-UHFFFAOYSA-N 0 0 533.994 4.115 50 5 KIBARN Cc1c(C(=O)NCc2cccnc2)nn(-c2cccc(F)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000103397085 555382635 /nfs/dbraw/zinc/38/26/35/555382635.db2.gz DTJYKEBDWXQWIL-UHFFFAOYSA-N 0 0 580.598 4.130 50 5 KIBARN Cc1c(C(=O)N2CCCC2)nn(-c2cccc(F)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000103397161 555383003 /nfs/dbraw/zinc/38/30/03/555383003.db2.gz KROFRJFJOTYMSO-UHFFFAOYSA-N 0 0 543.577 4.041 50 5 KIBARN CC[C@@H](C)NC(=O)c1nn(-c2cccc(F)c2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(C)C)c1C ZINC000103397179 555383028 /nfs/dbraw/zinc/38/30/28/555383028.db2.gz AKGNSWYGDKROQY-OAHLLOKOSA-N 0 0 533.582 4.235 50 5 KIBARN CC[C@H](C)NC(=O)c1nn(-c2cccc(F)c2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(C)C)c1C ZINC000103397182 555383050 /nfs/dbraw/zinc/38/30/50/555383050.db2.gz AKGNSWYGDKROQY-HNNXBMFYSA-N 0 0 533.582 4.235 50 5 KIBARN Cc1c(C(=O)NCC(C)C)nn(-c2cccc(F)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000103397206 555383121 /nfs/dbraw/zinc/38/31/21/555383121.db2.gz MNSNKCSCUGKAAQ-UHFFFAOYSA-N 0 0 545.593 4.191 50 5 KIBARN COCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)Nc2ccc(F)cc2)nn1-c1ccc(OC)cc1 ZINC000103397790 555383580 /nfs/dbraw/zinc/38/35/80/555383580.db2.gz GIZZJFZCUVMBBR-UHFFFAOYSA-N 0 0 599.597 4.206 50 5 KIBARN COCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)Nc2cccc(C)c2)nn1-c1ccc(OC)cc1 ZINC000103397821 555383669 /nfs/dbraw/zinc/38/36/69/555383669.db2.gz JNPJFHXPBDNZFU-UHFFFAOYSA-N 0 0 595.634 4.375 50 5 KIBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccnc2)nn1C(C)(C)C ZINC000103397866 555384035 /nfs/dbraw/zinc/38/40/35/555384035.db2.gz QNRLSHHZSYXJLO-MRXNPFEDSA-N 0 0 544.634 4.049 50 5 KIBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccnc2)nn1C(C)(C)C ZINC000103397869 555383949 /nfs/dbraw/zinc/38/39/49/555383949.db2.gz QNRLSHHZSYXJLO-INIZCTEOSA-N 0 0 544.634 4.049 50 5 KIBARN CC[C@@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(C)C)c1C ZINC000103398110 555384347 /nfs/dbraw/zinc/38/43/47/555384347.db2.gz QJTUPAXPSYGYHC-OAHLLOKOSA-N 0 0 533.582 4.235 50 5 KIBARN CC[C@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(C)C)c1C ZINC000103398112 555384241 /nfs/dbraw/zinc/38/42/41/555384241.db2.gz QJTUPAXPSYGYHC-HNNXBMFYSA-N 0 0 533.582 4.235 50 5 KIBARN Cc1c(C(=O)NCc2ccco2)nn(-c2ccc(F)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)C ZINC000103398221 555384652 /nfs/dbraw/zinc/38/46/52/555384652.db2.gz AKZUOXLBBHOUPK-UHFFFAOYSA-N 0 0 557.560 4.230 50 5 KIBARN Cc1c(C(=O)NC(C)C)nn(-c2ccc(Cl)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)C ZINC000103398223 555384658 /nfs/dbraw/zinc/38/46/58/555384658.db2.gz NEYXRMPTVALFNE-UHFFFAOYSA-N 0 0 536.010 4.360 50 5 KIBARN COCCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1cccc([N+](=O)[O-])c1)C(=O)c1ccc(OC)cc1 ZINC000103400258 555386589 /nfs/dbraw/zinc/38/65/89/555386589.db2.gz ANLMFVMKISEYNB-SANMLTNESA-N 0 0 534.544 4.209 50 5 KIBARN COCCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1cccc([N+](=O)[O-])c1)C(=O)c1ccc(OC)cc1 ZINC000103400260 555386697 /nfs/dbraw/zinc/38/66/97/555386697.db2.gz ANLMFVMKISEYNB-AREMUKBSSA-N 0 0 534.544 4.209 50 5 KIBARN Cc1c(C(=O)N2CCOCC2)nn(-c2ccc(Cl)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000103401655 555387204 /nfs/dbraw/zinc/38/72/04/555387204.db2.gz QPZZPFHXFUQLGZ-UHFFFAOYSA-N 0 0 578.047 4.084 50 5 KIBARN Cc1c(C(=O)N2CCCC2)nn(-c2ccc(F)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000103402554 555388467 /nfs/dbraw/zinc/38/84/67/555388467.db2.gz YAAKTFGXZAFQFA-UHFFFAOYSA-N 0 0 545.593 4.333 50 5 KIBARN CCCNC(=O)c1nn(-c2ccc(F)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(C)(C)C)c1C ZINC000103402686 555388735 /nfs/dbraw/zinc/38/87/35/555388735.db2.gz HQEIWGFGCUEACD-UHFFFAOYSA-N 0 0 533.582 4.237 50 5 KIBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC(C)C)nn1-c1ccc(F)cc1 ZINC000103402689 555388745 /nfs/dbraw/zinc/38/87/45/555388745.db2.gz HOYCMBIOMMABAV-OAHLLOKOSA-N 0 0 533.582 4.235 50 5 KIBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC(C)C)nn1-c1ccc(F)cc1 ZINC000103402692 555388645 /nfs/dbraw/zinc/38/86/45/555388645.db2.gz HOYCMBIOMMABAV-HNNXBMFYSA-N 0 0 533.582 4.235 50 5 KIBARN Cc1c(C(=O)NCc2cccnc2)nn(-c2ccccc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000103402707 555389124 /nfs/dbraw/zinc/38/91/24/555389124.db2.gz SWTMYTRORGFDGG-UHFFFAOYSA-N 0 0 564.624 4.283 50 5 KIBARN Cc1c(C(=O)NCc2cccnc2)nn(-c2ccc(F)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000103402710 555389013 /nfs/dbraw/zinc/38/90/13/555389013.db2.gz OIFYXCBTZPBNLP-UHFFFAOYSA-N 0 0 582.614 4.422 50 5 KIBARN Cc1c(C(=O)NC[C@@H]2CCCO2)nn(-c2ccc(F)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000103402742 555389060 /nfs/dbraw/zinc/38/90/60/555389060.db2.gz DGFBFUYEZYVGBL-FQEVSTJZSA-N 0 0 575.619 4.006 50 5 KIBARN Cc1c(C(=O)NC[C@H]2CCCO2)nn(-c2ccc(F)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000103402744 555389102 /nfs/dbraw/zinc/38/91/02/555389102.db2.gz DGFBFUYEZYVGBL-HXUWFJFHSA-N 0 0 575.619 4.006 50 5 KIBARN CCCNC(=O)c1nn(-c2cccc(F)c2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N[C@@H](C)CC)c1C ZINC000103403849 555390007 /nfs/dbraw/zinc/39/00/07/555390007.db2.gz YMEZZDDNSMOULD-HNNXBMFYSA-N 0 0 533.582 4.237 50 5 KIBARN CCCNC(=O)c1nn(-c2cccc(F)c2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N[C@H](C)CC)c1C ZINC000103403851 555390041 /nfs/dbraw/zinc/39/00/41/555390041.db2.gz YMEZZDDNSMOULD-OAHLLOKOSA-N 0 0 533.582 4.237 50 5 KIBARN Cc1c(C(=O)NC2CC2)nn(-c2cccc(Cl)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)C ZINC000103403855 555389872 /nfs/dbraw/zinc/38/98/72/555389872.db2.gz YVKVDFPGHDPZBD-UHFFFAOYSA-N 0 0 548.021 4.361 50 5 KIBARN CCCN(C)C(=O)c1nn(-c2ccc(OC)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N[C@@H](C)CC)c1C ZINC000103403943 555389893 /nfs/dbraw/zinc/38/98/93/555389893.db2.gz ULLVXRXZRSNLKP-KRWDZBQOSA-N 0 0 559.645 4.449 50 5 KIBARN CCCN(C)C(=O)c1nn(-c2ccc(OC)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N[C@H](C)CC)c1C ZINC000103403945 555389856 /nfs/dbraw/zinc/38/98/56/555389856.db2.gz ULLVXRXZRSNLKP-QGZVFWFLSA-N 0 0 559.645 4.449 50 5 KIBARN Cc1c(C(=O)Nc2ccc(F)cc2)nn(-c2ccccc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000103403958 555390293 /nfs/dbraw/zinc/39/02/93/555390293.db2.gz RYCRPNPEJLSVEQ-UHFFFAOYSA-N 0 0 581.582 4.294 50 5 KIBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2ccco2)nn1-c1ccccc1 ZINC000103403967 555390181 /nfs/dbraw/zinc/39/01/81/555390181.db2.gz AYQZMMDIZRLBEP-QGZVFWFLSA-N 0 0 553.597 4.481 50 5 KIBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2ccco2)nn1-c1ccccc1 ZINC000103403969 555390264 /nfs/dbraw/zinc/39/02/64/555390264.db2.gz AYQZMMDIZRLBEP-KRWDZBQOSA-N 0 0 553.597 4.481 50 5 KIBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccnc2)nn1-c1ccccc1 ZINC000103404019 555390248 /nfs/dbraw/zinc/39/02/48/555390248.db2.gz KZHGVLXNHOZSCE-GOSISDBHSA-N 0 0 564.624 4.283 50 5 KIBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccnc2)nn1-c1ccccc1 ZINC000103404021 555390274 /nfs/dbraw/zinc/39/02/74/555390274.db2.gz KZHGVLXNHOZSCE-SFHVURJKSA-N 0 0 564.624 4.283 50 5 KIBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N2CCCC2)nn1-c1ccc(OC)cc1 ZINC000103404060 555390208 /nfs/dbraw/zinc/39/02/08/555390208.db2.gz QWOHICNVJPEJRP-QGZVFWFLSA-N 0 0 557.629 4.203 50 5 KIBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N2CCCC2)nn1-c1ccc(OC)cc1 ZINC000103404062 555390335 /nfs/dbraw/zinc/39/03/35/555390335.db2.gz QWOHICNVJPEJRP-KRWDZBQOSA-N 0 0 557.629 4.203 50 5 KIBARN Cc1c(C(=O)NCc2ccco2)nn(-c2ccccc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000103404293 555390595 /nfs/dbraw/zinc/39/05/95/555390595.db2.gz JPRGXUAILTXNES-UHFFFAOYSA-N 0 0 553.597 4.481 50 5 KIBARN CCCN(C)C(=O)c1nn(-c2cccc(C)c2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC2CC2)c1C ZINC000103425924 555406715 /nfs/dbraw/zinc/40/67/15/555406715.db2.gz VBWBPHVKLBZSTJ-UHFFFAOYSA-N 0 0 541.630 4.421 50 5 KIBARN CCCN(C)C(=O)c1nn(-c2cc(C)ccc2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC2CC2)c1C ZINC000103425957 555407064 /nfs/dbraw/zinc/40/70/64/555407064.db2.gz KLJVTPSMDPQFIX-UHFFFAOYSA-N 0 0 541.630 4.421 50 5 KIBARN Cc1c(C(=O)NCc2cccnc2)nn(-c2cccc(C)c2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC1 ZINC000103425986 555407036 /nfs/dbraw/zinc/40/70/36/555407036.db2.gz DFCMDJOMPOTTTR-UHFFFAOYSA-N 0 0 576.635 4.264 50 5 KIBARN Cc1c(C(=O)NCc2ccco2)nn(-c2cccc(C)c2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC1 ZINC000103426005 555407058 /nfs/dbraw/zinc/40/70/58/555407058.db2.gz PIFQNBJPBVCHBI-UHFFFAOYSA-N 0 0 565.608 4.462 50 5 KIBARN CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2ccco2)nn1-c1ccccc1 ZINC000103426061 555407048 /nfs/dbraw/zinc/40/70/48/555407048.db2.gz WAAMHCJVVIGYPE-UHFFFAOYSA-N 0 0 539.570 4.093 50 5 KIBARN Cc1c(C(=O)NC(C)C)nn(-c2ccc(F)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)C ZINC000103426065 555407090 /nfs/dbraw/zinc/40/70/90/555407090.db2.gz AHJXGMBJFXGTDD-UHFFFAOYSA-N 0 0 533.582 4.093 50 5 KIBARN CC[C@@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NCC(C)C)c1C ZINC000103426083 555407419 /nfs/dbraw/zinc/40/74/19/555407419.db2.gz ARPSCKYEQGIZOL-MRXNPFEDSA-N 0 0 547.609 4.483 50 5 KIBARN CC[C@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NCC(C)C)c1C ZINC000103426085 555407286 /nfs/dbraw/zinc/40/72/86/555407286.db2.gz ARPSCKYEQGIZOL-INIZCTEOSA-N 0 0 547.609 4.483 50 5 KIBARN CCCNC(=O)c1nn(-c2cccc(Cl)c2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NCCC)c1C ZINC000103426099 555407470 /nfs/dbraw/zinc/40/74/70/555407470.db2.gz VQHBMFYPLXLGEK-UHFFFAOYSA-N 0 0 536.010 4.363 50 5 KIBARN CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@@H]2CCCO2)nn1-c1cccc(Cl)c1 ZINC000103426117 555407475 /nfs/dbraw/zinc/40/74/75/555407475.db2.gz WDBJDOPDSIJIGB-FQEVSTJZSA-N 0 0 578.047 4.132 50 5 KIBARN CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@H]2CCCO2)nn1-c1cccc(Cl)c1 ZINC000103426119 555407464 /nfs/dbraw/zinc/40/74/64/555407464.db2.gz WDBJDOPDSIJIGB-HXUWFJFHSA-N 0 0 578.047 4.132 50 5 KIBARN CCCNC(=O)c1nn(-c2ccc(F)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NCC(C)C)c1C ZINC000103426121 555407390 /nfs/dbraw/zinc/40/73/90/555407390.db2.gz XFIFIABMKFPPSF-UHFFFAOYSA-N 0 0 533.582 4.094 50 5 KIBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2ccco2)nn1C(C)(C)C ZINC000103426128 555407300 /nfs/dbraw/zinc/40/73/00/555407300.db2.gz IKKVZAWSPNPHJF-OAHLLOKOSA-N 0 0 533.607 4.247 50 5 KIBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2ccco2)nn1C(C)(C)C ZINC000103426130 555407449 /nfs/dbraw/zinc/40/74/49/555407449.db2.gz IKKVZAWSPNPHJF-HNNXBMFYSA-N 0 0 533.607 4.247 50 5 KIBARN CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCC(C)C)nn1-c1cccc(F)c1 ZINC000103426161 555407324 /nfs/dbraw/zinc/40/73/24/555407324.db2.gz GULLOLOSKVUTJA-UHFFFAOYSA-N 0 0 533.582 4.094 50 5 KIBARN Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)nn(C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)C ZINC000103426186 555407776 /nfs/dbraw/zinc/40/77/76/555407776.db2.gz MPKYXFGVQKSRKK-UHFFFAOYSA-N 0 0 569.562 4.312 50 5 KIBARN Cc1c(C(=O)NCc2ccco2)nn(-c2ccc(F)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)C ZINC000103426191 555407720 /nfs/dbraw/zinc/40/77/20/555407720.db2.gz VWQKSNVCCOWJAE-UHFFFAOYSA-N 0 0 571.587 4.478 50 5 KIBARN Cc1c(C(=O)N2CCCC2)nn(-c2ccc(Cl)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC1 ZINC000103428302 555410590 /nfs/dbraw/zinc/41/05/90/555410590.db2.gz SMKVKLRTNXVHIO-UHFFFAOYSA-N 0 0 546.005 4.211 50 5 KIBARN COCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)Nc2cccc(C)c2)nn1C(C)(C)C ZINC000103428304 555410562 /nfs/dbraw/zinc/41/05/62/555410562.db2.gz IDOSEJPXQAPPCO-UHFFFAOYSA-N 0 0 545.618 4.132 50 5 KIBARN Cc1c(C(=O)Nc2ccc(F)cc2)nn(C(C)(C)C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC1 ZINC000103428306 555410711 /nfs/dbraw/zinc/41/07/11/555410711.db2.gz REAKNVPVJWOMJP-UHFFFAOYSA-N 0 0 531.566 4.479 50 5 KIBARN Cc1c(C(=O)NC[C@@H]2CCCO2)nn(-c2ccc(C)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000103428322 555410618 /nfs/dbraw/zinc/41/06/18/555410618.db2.gz KIFXVGJXAPFPAQ-NRFANRHFSA-N 0 0 571.656 4.175 50 5 KIBARN Cc1c(C(=O)NC[C@H]2CCCO2)nn(-c2ccc(C)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000103428325 555410637 /nfs/dbraw/zinc/41/06/37/555410637.db2.gz KIFXVGJXAPFPAQ-OAQYLSRUSA-N 0 0 571.656 4.175 50 5 KIBARN Cc1c(C(=O)Nc2cccc(C)c2)nn(-c2ccccc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000103428333 555410630 /nfs/dbraw/zinc/41/06/30/555410630.db2.gz AAVNEHHIMQXGNV-UHFFFAOYSA-N 0 0 577.619 4.463 50 5 KIBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccnc2)nn1-c1ccc(OC)cc1 ZINC000103428340 555410725 /nfs/dbraw/zinc/41/07/25/555410725.db2.gz RIKGJYXVJWOLPZ-GOSISDBHSA-N 0 0 594.650 4.292 50 5 KIBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccnc2)nn1-c1ccc(OC)cc1 ZINC000103428344 555410577 /nfs/dbraw/zinc/41/05/77/555410577.db2.gz RIKGJYXVJWOLPZ-SFHVURJKSA-N 0 0 594.650 4.292 50 5 KIBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N2CCCC2)nn1-c1cccc(F)c1 ZINC000103428840 555411663 /nfs/dbraw/zinc/41/16/63/555411663.db2.gz WEHXJRVZGSEXFU-MRXNPFEDSA-N 0 0 545.593 4.333 50 5 KIBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N2CCCC2)nn1-c1cccc(F)c1 ZINC000103428843 555411673 /nfs/dbraw/zinc/41/16/73/555411673.db2.gz WEHXJRVZGSEXFU-INIZCTEOSA-N 0 0 545.593 4.333 50 5 KIBARN Cc1c(C(=O)NCc2ccco2)nn(-c2ccc(C)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC1 ZINC000103431005 555413206 /nfs/dbraw/zinc/41/32/06/555413206.db2.gz CMQYLYHKXVFFAA-UHFFFAOYSA-N 0 0 551.581 4.153 50 5 KIBARN Cc1c(C(=O)NC(C)C)nn(-c2ccc(F)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000103432362 555414175 /nfs/dbraw/zinc/41/41/75/555414175.db2.gz IIFZVFYQHKYAKU-UHFFFAOYSA-N 0 0 533.582 4.235 50 5 KIBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N2CCOCC2)nn1-c1cccc(Cl)c1 ZINC000103432453 555414568 /nfs/dbraw/zinc/41/45/68/555414568.db2.gz MPLCWBOVOZWWNO-MRXNPFEDSA-N 0 0 578.047 4.084 50 5 KIBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N2CCOCC2)nn1-c1cccc(Cl)c1 ZINC000103432454 555414806 /nfs/dbraw/zinc/41/48/06/555414806.db2.gz MPLCWBOVOZWWNO-INIZCTEOSA-N 0 0 578.047 4.084 50 5 KIBARN Cc1c(C(=O)NCC(C)C)nn(-c2ccc(F)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000103432481 555414819 /nfs/dbraw/zinc/41/48/19/555414819.db2.gz SRBPCJONTXGOGQ-UHFFFAOYSA-N 0 0 547.609 4.483 50 5 KIBARN Cc1c(C(=O)NCc2ccco2)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000103433168 555415105 /nfs/dbraw/zinc/41/51/05/555415105.db2.gz ULHRAGDZDBFTEN-UHFFFAOYSA-N 0 0 595.634 4.042 50 5 KIBARN Cc1c(C(=O)Nc2cccc(C)c2)nn(C(C)(C)C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000103433205 555415484 /nfs/dbraw/zinc/41/54/84/555415484.db2.gz BBGORNUNYIKFTA-UHFFFAOYSA-N 0 0 557.629 4.229 50 5 KIBARN CCOC(=O)c1ccccc1S(=O)(=O)Oc1ccc(-c2nc3cc(S(=O)(=O)CC)ccc3o2)cc1[N+](=O)[O-] ZINC000103433558 555415760 /nfs/dbraw/zinc/41/57/60/555415760.db2.gz QGMXLYWNUTWPFW-UHFFFAOYSA-N 0 0 560.562 4.141 50 5 KIBARN Cc1c(C(=O)NC2CC2)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000103433798 555415696 /nfs/dbraw/zinc/41/56/96/555415696.db2.gz UTQZGAAXCJENPX-UHFFFAOYSA-N 0 0 541.630 4.467 50 5 KIBARN COCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccc(C(F)(F)F)c2)nn1C(C)C ZINC000103433804 555415709 /nfs/dbraw/zinc/41/57/09/555415709.db2.gz JINVQKOCIZHBLB-UHFFFAOYSA-N 0 0 599.588 4.346 50 5 KIBARN Cc1c(C(=O)NC[C@@H]2CCCO2)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000103433829 555415837 /nfs/dbraw/zinc/41/58/37/555415837.db2.gz UYKGXFRCVOLLPG-NRFANRHFSA-N 0 0 585.683 4.484 50 5 KIBARN Cc1c(C(=O)NC[C@H]2CCCO2)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000103433831 555415769 /nfs/dbraw/zinc/41/57/69/555415769.db2.gz UYKGXFRCVOLLPG-OAQYLSRUSA-N 0 0 585.683 4.484 50 5 KIBARN Cc1c(C(=O)NC2CC2)nn(-c2cccc(C)c2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000103433833 555415796 /nfs/dbraw/zinc/41/57/96/555415796.db2.gz AIYOPGSPZMLSOA-UHFFFAOYSA-N 0 0 541.630 4.467 50 5 KIBARN Cc1c(C(=O)N2CCOCC2)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000103433867 555416102 /nfs/dbraw/zinc/41/61/02/555416102.db2.gz FNYINLPQWAHWNK-UHFFFAOYSA-N 0 0 571.656 4.047 50 5 KIBARN Cc1c(C(=O)NC[C@@H]2CCCO2)nn(-c2cccc(C)c2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000103433869 555416093 /nfs/dbraw/zinc/41/60/93/555416093.db2.gz POBJBAAEKCSVBI-NRFANRHFSA-N 0 0 585.683 4.484 50 5 KIBARN Cc1c(C(=O)NC[C@H]2CCCO2)nn(-c2cccc(C)c2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000103433871 555416005 /nfs/dbraw/zinc/41/60/05/555416005.db2.gz POBJBAAEKCSVBI-OAQYLSRUSA-N 0 0 585.683 4.484 50 5 KIBARN COCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)Nc2ccc(F)cc2)nn1-c1ccc(F)cc1 ZINC000103433899 555416141 /nfs/dbraw/zinc/41/61/41/555416141.db2.gz IONTVUNQSDWBLG-UHFFFAOYSA-N 0 0 587.561 4.336 50 5 KIBARN Cc1c(C(=O)N2CCOCC2)nn(-c2cccc(C)c2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000103433908 555415966 /nfs/dbraw/zinc/41/59/66/555415966.db2.gz KXANETDFBDIVSH-UHFFFAOYSA-N 0 0 571.656 4.047 50 5 KIBARN Cc1c(C(=O)NCc2ccco2)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC1 ZINC000103434010 555416025 /nfs/dbraw/zinc/41/60/25/555416025.db2.gz FSMCNFNDPAOVRP-UHFFFAOYSA-N 0 0 565.608 4.462 50 5 KIBARN Cc1c(C(=O)NC[C@@H]2CCCO2)nn(-c2ccc(Cl)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)C ZINC000103434035 555416000 /nfs/dbraw/zinc/41/60/00/555416000.db2.gz YHCHONAWLTVADL-NRFANRHFSA-N 0 0 592.074 4.378 50 5 KIBARN Cc1c(C(=O)NC[C@H]2CCCO2)nn(-c2ccc(Cl)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)C ZINC000103434037 555415991 /nfs/dbraw/zinc/41/59/91/555415991.db2.gz YHCHONAWLTVADL-OAQYLSRUSA-N 0 0 592.074 4.378 50 5 KIBARN COc1ccc(-n2nc(C(=O)NCc3cccnc3)c(C)c2Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NCC(C)C)cc1 ZINC000103434039 555416364 /nfs/dbraw/zinc/41/63/64/555416364.db2.gz HHGXFAQYLZJKPK-UHFFFAOYSA-N 0 0 594.650 4.149 50 5 KIBARN CC[C@@H](C)NC(=O)c1nn(-c2ccc(OC)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N[C@@H](C)CC)c1C ZINC000103434071 555416389 /nfs/dbraw/zinc/41/63/89/555416389.db2.gz KCWSPAQYRDRJTB-SJORKVTESA-N 0 0 559.645 4.495 50 5 KIBARN CC[C@H](C)NC(=O)c1nn(-c2ccc(OC)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N[C@@H](C)CC)c1C ZINC000103434073 555416349 /nfs/dbraw/zinc/41/63/49/555416349.db2.gz KCWSPAQYRDRJTB-IRXDYDNUSA-N 0 0 559.645 4.495 50 5 KIBARN CC[C@@H](C)NC(=O)c1nn(-c2ccc(OC)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N[C@H](C)CC)c1C ZINC000103434076 555416458 /nfs/dbraw/zinc/41/64/58/555416458.db2.gz KCWSPAQYRDRJTB-IAGOWNOFSA-N 0 0 559.645 4.495 50 5 KIBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N[C@@H](C)CC)nn1-c1ccc(OC)cc1 ZINC000103434078 555416446 /nfs/dbraw/zinc/41/64/46/555416446.db2.gz KCWSPAQYRDRJTB-DLBZAZTESA-N 0 0 559.645 4.495 50 5 KIBARN COc1ccc(-n2nc(C(=O)N3CCCC3)c(C)c2Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(C)(C)C)cc1 ZINC000103434080 555416522 /nfs/dbraw/zinc/41/65/22/555416522.db2.gz DROOWZHJSVVEFS-UHFFFAOYSA-N 0 0 557.629 4.203 50 5 KIBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCC(C)C)nn1-c1cccc(F)c1 ZINC000103434092 555416497 /nfs/dbraw/zinc/41/64/97/555416497.db2.gz CLCHKMZWVOVXGV-MRXNPFEDSA-N 0 0 547.609 4.483 50 5 KIBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCC(C)C)nn1-c1cccc(F)c1 ZINC000103434094 555416490 /nfs/dbraw/zinc/41/64/90/555416490.db2.gz CLCHKMZWVOVXGV-INIZCTEOSA-N 0 0 547.609 4.483 50 5 KIBARN COc1ccc(-n2nc(C(=O)N3CCCC3)c(C)c2Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NCC(C)C)cc1 ZINC000103434096 555416425 /nfs/dbraw/zinc/41/64/25/555416425.db2.gz RHMHDSUHWKXAFK-UHFFFAOYSA-N 0 0 557.629 4.060 50 5 KIBARN Cc1c(C(=O)NCC(C)C)nn(-c2ccc(F)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)C ZINC000103434139 555416651 /nfs/dbraw/zinc/41/66/51/555416651.db2.gz USGYIKWIUNNGLK-UHFFFAOYSA-N 0 0 547.609 4.340 50 5 KIBARN COc1ccc(-n2nc(C(=O)NCc3ccco3)c(C)c2Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(C)(C)C)cc1 ZINC000103434141 555416687 /nfs/dbraw/zinc/41/66/87/555416687.db2.gz BWHZCYMNBILEIC-UHFFFAOYSA-N 0 0 583.623 4.490 50 5 KIBARN Cc1c(C(=O)NCc2cccnc2)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC1 ZINC000103434147 555416713 /nfs/dbraw/zinc/41/67/13/555416713.db2.gz YIRQMWFHDQXYKH-UHFFFAOYSA-N 0 0 576.635 4.264 50 5 KIBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC(C)C)nn1-c1ccc(OC)cc1 ZINC000103435139 555417691 /nfs/dbraw/zinc/41/76/91/555417691.db2.gz OZTSWFXXCQXIAT-MRXNPFEDSA-N 0 0 545.618 4.105 50 5 KIBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC(C)C)nn1-c1ccc(OC)cc1 ZINC000103435141 555417742 /nfs/dbraw/zinc/41/77/42/555417742.db2.gz OZTSWFXXCQXIAT-INIZCTEOSA-N 0 0 545.618 4.105 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000103447145 555420506 /nfs/dbraw/zinc/42/05/06/555420506.db2.gz IEKSKWSBHXDRAC-KMBIYUNPSA-N 0 0 559.600 4.284 50 5 KIBARN COc1ccc([N+](=O)[O-])cc1N1C(=O)C2=C(c3ccc(Br)cc3)NN(c3ccccc3)[C@@H]2C1=O ZINC000103519832 555425401 /nfs/dbraw/zinc/42/54/01/555425401.db2.gz RSNFWRSXIRZHGG-UNMCSNQZSA-N 0 0 521.327 4.148 50 5 KIBARN COc1ccc([N+](=O)[O-])cc1-n1c(O)c2c(-c3ccc(Br)cc3)nn(-c3ccccc3)c2c1O ZINC000103519836 555425373 /nfs/dbraw/zinc/42/53/73/555425373.db2.gz RSNFWRSXIRZHGG-RBBKRZOGSA-N 0 0 521.327 4.148 50 5 KIBARN COc1ccc([N+](=O)[O-])cc1-n1c(O)c2c(-c3ccc(Br)cc3)nn(-c3ccccc3)c2c1O ZINC000103519840 555425325 /nfs/dbraw/zinc/42/53/25/555425325.db2.gz RSNFWRSXIRZHGG-IFMALSPDSA-N 0 0 521.327 4.148 50 5 KIBARN O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2CCCN2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@]12C(=O)Nc1ccccc12 ZINC000103534914 555434794 /nfs/dbraw/zinc/43/47/94/555434794.db2.gz QILMXKJVQQGJMN-PTRUDAKASA-N 0 0 528.952 4.263 50 5 KIBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN21 ZINC000103546392 555440975 /nfs/dbraw/zinc/44/09/75/555440975.db2.gz NHIBTDIOQHRSIK-NGSHPTGOSA-N 0 0 528.952 4.398 50 5 KIBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 ZINC000103546400 555440933 /nfs/dbraw/zinc/44/09/33/555440933.db2.gz NHIBTDIOQHRSIK-VPBXCIAMSA-N 0 0 528.952 4.398 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000103598974 555453947 /nfs/dbraw/zinc/45/39/47/555453947.db2.gz UWDSRUBAXHRKDZ-GRXWAMFVSA-N 0 0 587.610 4.312 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cccs1 ZINC000103603529 555454601 /nfs/dbraw/zinc/45/46/01/555454601.db2.gz RQDPXBCMMIGFFV-WVWKGNOCSA-N 0 0 521.576 4.028 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cccs1 ZINC000103603533 555454621 /nfs/dbraw/zinc/45/46/21/555454621.db2.gz RQDPXBCMMIGFFV-IMEWXKHHSA-N 0 0 521.576 4.028 50 5 KIBARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N\C(=O)[C@H](CC)c1ccccc1 ZINC000103628969 555458364 /nfs/dbraw/zinc/45/83/64/555458364.db2.gz VNGULFUCAQKEHN-SMIQBFMMSA-N 0 0 510.550 4.088 50 5 KIBARN CCCCC1CCC(C(=O)/N=c2/c(C(=O)OCC)cc3c(=O)n4ccccc4nc3n2C[C@@H]2CCCO2)CC1 ZINC000103629094 555458601 /nfs/dbraw/zinc/45/86/01/555458601.db2.gz XAEGRKJNACPGPE-ZWBPZCMYSA-N 0 0 534.657 4.429 50 5 KIBARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)/C=C/c1ccccc1 ZINC000103629310 555458875 /nfs/dbraw/zinc/45/88/75/555458875.db2.gz WKJWWDYQSGNLKZ-BAKPOBOCSA-N 0 0 504.546 4.015 50 5 KIBARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)[C@@H](CC)c1ccccc1 ZINC000103629399 555459114 /nfs/dbraw/zinc/45/91/14/555459114.db2.gz TUMJNYBDRQIAEQ-QOVBXRFCSA-N 0 0 520.589 4.495 50 5 KIBARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)COc1ccc(Cl)cc1 ZINC000103629489 555459074 /nfs/dbraw/zinc/45/90/74/555459074.db2.gz FAZHXJMKUUXBDK-MXNGAVTRSA-N 0 0 542.979 4.034 50 5 KIBARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N\C(=O)c1cccc([N+](=O)[O-])c1C ZINC000103629722 555459351 /nfs/dbraw/zinc/45/93/51/555459351.db2.gz XDKOVUVMVYEVDN-MXNGAVTRSA-N 0 0 551.559 4.026 50 5 KIBARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N/C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000103629909 555459545 /nfs/dbraw/zinc/45/95/45/555459545.db2.gz ZQRYWVLELGMJPE-VBMGMRCRSA-N 0 0 550.615 4.199 50 5 KIBARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N/C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000103629943 555459578 /nfs/dbraw/zinc/45/95/78/555459578.db2.gz CLESXFWTDZFTPH-VYDLHDNFSA-N 0 0 562.626 4.342 50 5 KIBARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N/C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000103629947 555459540 /nfs/dbraw/zinc/45/95/40/555459540.db2.gz CLESXFWTDZFTPH-SZMQELOISA-N 0 0 562.626 4.342 50 5 KIBARN COc1ccc(C(=O)C2=C3C(O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@@H]3[C@@H]3C=Cc4ccccc4N23)cc1OC ZINC000103890708 571368739 /nfs/dbraw/zinc/36/87/39/571368739.db2.gz RIMILGZKTRPGBM-XVZMSMGLSA-N 0 0 539.544 4.193 50 5 KIBARN COc1ccc(C(=O)C2=C3C(O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@H]3[C@@H]3C=Cc4ccccc4N23)cc1OC ZINC000103890714 571368741 /nfs/dbraw/zinc/36/87/41/571368741.db2.gz RIMILGZKTRPGBM-VPIUVCPKSA-N 0 0 539.544 4.193 50 5 KIBARN COc1ccc(C(=O)C2=C3C(O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@H]3[C@H]3C=Cc4ccccc4N23)cc1OC ZINC000103890719 571368711 /nfs/dbraw/zinc/36/87/11/571368711.db2.gz RIMILGZKTRPGBM-DXXVALNZSA-N 0 0 539.544 4.193 50 5 KIBARN COc1ccc(C(=O)C2=C3C(O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@H]3[C@H]3C=Cc4ccccc4N23)cc1 ZINC000103979944 571370776 /nfs/dbraw/zinc/37/07/76/571370776.db2.gz LSPPNXQHQXAJBH-DSYNPFFXSA-N 0 0 509.518 4.185 50 5 KIBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 ZINC000104026450 571371493 /nfs/dbraw/zinc/37/14/93/571371493.db2.gz FPGFSNILVCQDKB-YCAMKHIRSA-N 0 0 514.925 4.402 50 5 KIBARN Cc1c(C(=O)Nc2cccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000104131849 571374601 /nfs/dbraw/zinc/37/46/01/571374601.db2.gz LPMVGZRQWZYCPR-UHFFFAOYSA-N 0 0 524.402 4.441 50 5 KIBARN Cc1c(C(=O)Nc2ccccc2NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000104131910 571374596 /nfs/dbraw/zinc/37/45/96/571374596.db2.gz YLDYEZLFBNTFMH-UHFFFAOYSA-N 0 0 524.402 4.441 50 5 KIBARN O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccc3c4c(ccc(c42)C1=O)CC3)c1ccc([N+](=O)[O-])cc1 ZINC000104665947 571385006 /nfs/dbraw/zinc/38/50/06/571385006.db2.gz QQJFYZJJMONDEU-VWLOTQADSA-N 0 0 534.524 4.480 50 5 KIBARN O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccc3c4c(ccc(c42)C1=O)CC3)c1ccc([N+](=O)[O-])cc1 ZINC000104665951 571384998 /nfs/dbraw/zinc/38/49/98/571384998.db2.gz QQJFYZJJMONDEU-RUZDIDTESA-N 0 0 534.524 4.480 50 5 KIBARN COc1ccc(-n2c(CN3CCN(c4ccc(C)cc4)[C@H](C)C3)nc3ccc([N+](=O)[O-])cc3c2=O)c(OC)c1 ZINC000104770246 571385871 /nfs/dbraw/zinc/38/58/71/571385871.db2.gz RCMYORKYIHADAV-HXUWFJFHSA-N 0 0 529.597 4.330 50 5 KIBARN COc1ccc(CCNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccc(C)cc4)C[C@H]23)cc1 ZINC000104915731 571387597 /nfs/dbraw/zinc/38/75/97/571387597.db2.gz PFRPVGBUHVUDBX-IXCJQBJRSA-N 0 0 500.599 4.138 50 5 KIBARN COc1ccc(CCNC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccc(C)cc4)C[C@H]23)cc1 ZINC000104915735 571387563 /nfs/dbraw/zinc/38/75/63/571387563.db2.gz PFRPVGBUHVUDBX-XTEPFMGCSA-N 0 0 500.599 4.138 50 5 KIBARN COc1ccccc1CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccc(C)cc3)C[C@H]12 ZINC000104916331 571387457 /nfs/dbraw/zinc/38/74/57/571387457.db2.gz CNPVJUINVDQXKN-XNMGPUDCSA-N 0 0 500.599 4.138 50 5 KIBARN COc1ccccc1CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccc(C)cc3)C[C@H]12 ZINC000104916334 571387562 /nfs/dbraw/zinc/38/75/62/571387562.db2.gz CNPVJUINVDQXKN-AHKZPQOWSA-N 0 0 500.599 4.138 50 5 KIBARN COc1ccc(CCNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccc(C)cc4)C[C@H]23)cc1OC ZINC000104919436 571387582 /nfs/dbraw/zinc/38/75/82/571387582.db2.gz MEMMZTPMQLHANU-XNMGPUDCSA-N 0 0 530.625 4.147 50 5 KIBARN COc1ccc(CCNC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccc(C)cc4)C[C@H]23)cc1OC ZINC000104919437 571387598 /nfs/dbraw/zinc/38/75/98/571387598.db2.gz MEMMZTPMQLHANU-AHKZPQOWSA-N 0 0 530.625 4.147 50 5 KIBARN Cc1ccccc1[C@H]1c2ccsc2CCN1CC(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000105059660 571390507 /nfs/dbraw/zinc/39/05/07/571390507.db2.gz DQCUEAMQQWIAIZ-DCFHFQCYSA-N 0 0 518.639 4.285 50 5 KIBARN C[C@@H]1CN(C(=O)CN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000105059685 571390529 /nfs/dbraw/zinc/39/05/29/571390529.db2.gz PFYMMPAQDXQOMJ-WXTAPIANSA-N 0 0 522.602 4.116 50 5 KIBARN C[C@@H]1CN(C(=O)CN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000105059691 571390540 /nfs/dbraw/zinc/39/05/40/571390540.db2.gz JHUDWIZQKDZMOT-WXTAPIANSA-N 0 0 522.602 4.116 50 5 KIBARN Cc1ccccc1[C@H]1c2ccsc2CCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000105060272 571390848 /nfs/dbraw/zinc/39/08/48/571390848.db2.gz YDCWHIJJWPXFOJ-PPHZAIPVSA-N 0 0 589.139 4.487 50 5 KIBARN COc1ccc([C@@H]2c3ccsc3CCN2CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[C@H](C)C2)cc1 ZINC000105060284 571390682 /nfs/dbraw/zinc/39/06/82/571390682.db2.gz UISXWPQYBCBOJK-DNOBIOAJSA-N 0 0 605.138 4.187 50 5 KIBARN C[C@@H]1CN(C(=O)CN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000105061155 571391077 /nfs/dbraw/zinc/39/10/77/571391077.db2.gz IBAFJILQFNXYEX-WGDIFIGCSA-N 0 0 593.102 4.318 50 5 KIBARN CCCC[C@H](CC)C(=O)N1CCN(C(=O)[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@H](C)CC)C[C@@H]1C ZINC000105149950 571391713 /nfs/dbraw/zinc/39/17/13/571391713.db2.gz BWDSSFOIJVTZFK-FHGIGFTKSA-N 0 0 514.667 4.415 50 5 KIBARN CCCC[C@H](CC)C(=O)N1CCN(C(=O)[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@H](C)CC)C[C@H]1C ZINC000105149959 571391756 /nfs/dbraw/zinc/39/17/56/571391756.db2.gz BWDSSFOIJVTZFK-LMZSYJCHSA-N 0 0 514.667 4.415 50 5 KIBARN CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(I)c1OCC(=O)OC ZINC000105431272 571404792 /nfs/dbraw/zinc/40/47/92/571404792.db2.gz CDBOIRADOAONKG-ZDLGFXPLSA-N 0 0 598.371 4.386 50 5 KIBARN O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)Nc1ccccc1N1CCOCC1 ZINC000105981576 571409816 /nfs/dbraw/zinc/40/98/16/571409816.db2.gz JVYAMJLUFDXXTE-GRSHGNNSSA-N 0 0 537.381 4.413 50 5 KIBARN O=C(Oc1c(Br)cc(C(=S)N2CCOCC2)cc1Br)c1ccccc1[N+](=O)[O-] ZINC000105984106 571409929 /nfs/dbraw/zinc/40/99/29/571409929.db2.gz NPPJCSDYHAXPKH-UHFFFAOYSA-N 0 0 530.194 4.347 50 5 KIBARN COc1cc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O ZINC000105990023 571409896 /nfs/dbraw/zinc/40/98/96/571409896.db2.gz KDQRKIRJGGNYDL-MQSCRBSSSA-N 0 0 554.353 4.118 50 5 KIBARN CCCOc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC)c(OC)c4OC)[C@@H]3C2=O)cc1 ZINC000105990089 571410062 /nfs/dbraw/zinc/41/00/62/571410062.db2.gz UUJWSXITQVVYAS-NLJOTIRTSA-N 0 0 563.563 4.461 50 5 KIBARN CCCOc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC)c(OC)c4OC)[C@H]3C2=O)cc1 ZINC000105990093 571409999 /nfs/dbraw/zinc/40/99/99/571409999.db2.gz UUJWSXITQVVYAS-ONBPZOJHSA-N 0 0 563.563 4.461 50 5 KIBARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000106019329 571410646 /nfs/dbraw/zinc/41/06/46/571410646.db2.gz OOYIYJUIOLYHID-OYUWMTPXSA-N 0 0 571.567 4.414 50 5 KIBARN Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)nn(C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000106763773 571418105 /nfs/dbraw/zinc/41/81/05/571418105.db2.gz DEGJOWRJAHVTAW-UHFFFAOYSA-N 0 0 567.546 4.162 50 5 KIBARN Cc1c(C(=O)NCc2ccco2)nn(-c2cccc(F)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000106889115 571418577 /nfs/dbraw/zinc/41/85/77/571418577.db2.gz PWOOVXBMZNUQEM-UHFFFAOYSA-N 0 0 569.571 4.328 50 5 KIBARN Cc1c(C(=O)NCC(C)C)nn(-c2cccc(F)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)C ZINC000106889494 571418503 /nfs/dbraw/zinc/41/85/03/571418503.db2.gz GXKRSEVUYVGZEV-UHFFFAOYSA-N 0 0 533.582 4.093 50 5 KIBARN Cc1c(C(=O)NCc2cccnc2)nn(-c2cccc(F)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)C ZINC000106889504 571418570 /nfs/dbraw/zinc/41/85/70/571418570.db2.gz BLCUBRQLPPAXQG-UHFFFAOYSA-N 0 0 568.587 4.032 50 5 KIBARN Cc1c(C(=O)NCc2ccco2)nn(-c2cccc(F)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)C ZINC000106889507 571418547 /nfs/dbraw/zinc/41/85/47/571418547.db2.gz ILJQSFATEXLPJK-UHFFFAOYSA-N 0 0 557.560 4.230 50 5 KIBARN C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000108828608 571426875 /nfs/dbraw/zinc/42/68/75/571426875.db2.gz OHLSXGXNIWPXTD-BZUAXINKSA-N 0 0 523.995 4.099 50 5 KIBARN C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000108828612 571426881 /nfs/dbraw/zinc/42/68/81/571426881.db2.gz OHLSXGXNIWPXTD-OWCLPIDISA-N 0 0 523.995 4.099 50 5 KIBARN CCOC(=O)C1=C(COC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)NC(=O)N[C@@H]1c1cccs1 ZINC000108862314 571426927 /nfs/dbraw/zinc/42/69/27/571426927.db2.gz XXJRVIXSYVBTLS-CKNGIIGNSA-N 0 0 542.614 4.167 50 5 KIBARN C[C@@H]1C[C@H](C)CN(C(=S)S[C@@H]2CC(=O)N(c3ccc(C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)cc3)C2=O)C1 ZINC000113562479 571440397 /nfs/dbraw/zinc/44/03/97/571440397.db2.gz KQVRIDOKPGLXNC-SAHWJRBASA-N 0 0 569.661 4.262 50 5 KIBARN C[C@@H]1C[C@@H](C)CN(C(=S)S[C@@H]2CC(=O)N(c3ccc(C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)cc3)C2=O)C1 ZINC000113562485 571440379 /nfs/dbraw/zinc/44/03/79/571440379.db2.gz KQVRIDOKPGLXNC-SEPYTNNBSA-N 0 0 569.661 4.262 50 5 KIBARN CCOc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3cc(OC)c(OC)cc3[N+](=O)[O-])[C@@H]2C1=O ZINC000136044538 571449189 /nfs/dbraw/zinc/44/91/89/571449189.db2.gz QWUODKRCDPQNSH-CCDWMCETSA-N 0 0 519.510 4.062 50 5 KIBARN CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cc(OC)c(OC)cc4[N+](=O)[O-])[C@@H]3C2=O)cc1 ZINC000136059242 571449151 /nfs/dbraw/zinc/44/91/51/571449151.db2.gz BJUJRUBMXKWMAE-CCDWMCETSA-N 0 0 519.510 4.062 50 5 KIBARN Cc1c(C(=O)Nc2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000136479234 571449406 /nfs/dbraw/zinc/44/94/06/571449406.db2.gz QXSQRLHGUNRZIO-UHFFFAOYSA-N 0 0 524.402 4.441 50 5 KIBARN C[C@@H](CNC(=O)COc1c(Cl)cc(Cl)cc1[N+](=O)[O-])NC(=O)COc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000137008501 571449983 /nfs/dbraw/zinc/44/99/83/571449983.db2.gz VKUBMYUPHFHGCV-VIFPVBQESA-N 0 0 570.169 4.195 50 5 KIBARN C[C@H](CNC(=O)COc1c(Cl)cc(Cl)cc1[N+](=O)[O-])NC(=O)COc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000137008551 571449984 /nfs/dbraw/zinc/44/99/84/571449984.db2.gz VKUBMYUPHFHGCV-SECBINFHSA-N 0 0 570.169 4.195 50 5 KIBARN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000137514485 571450489 /nfs/dbraw/zinc/45/04/89/571450489.db2.gz LAWHJOWCNVZMAM-YTFSRNRJSA-N 0 0 509.902 4.317 50 5 KIBARN COc1cc([C@@H]2c3c(O)n(-c4ccc(C)cc4C)c(O)c3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000137550408 571450495 /nfs/dbraw/zinc/45/04/95/571450495.db2.gz RJBSDGADCGPIIN-ISJGIBHGSA-N 0 0 503.511 4.280 50 5 KIBARN CCc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cc(OC)c(OC)cc4[N+](=O)[O-])[C@@H]3C2=O)cc1 ZINC000137913648 571450920 /nfs/dbraw/zinc/45/09/20/571450920.db2.gz FQNHOCGMAWGFMS-CCDWMCETSA-N 0 0 503.511 4.226 50 5 KIBARN O=C(C1=C2C(O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12)c1ccc(Cl)cc1 ZINC000138300062 571451162 /nfs/dbraw/zinc/45/11/62/571451162.db2.gz CRGUNCJDWJDPDE-AFXVXQJMSA-N 0 0 500.898 4.010 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000150382319 571467206 /nfs/dbraw/zinc/46/72/06/571467206.db2.gz SUAJDYRLZGWINA-FCVOFCDTSA-N 0 0 629.647 4.023 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000150382320 571467194 /nfs/dbraw/zinc/46/71/94/571467194.db2.gz SUAJDYRLZGWINA-BUDNTJSZSA-N 0 0 629.647 4.023 50 5 KIBARN CCCCn1c(CNC(=O)c2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)OCC ZINC000150389833 571472109 /nfs/dbraw/zinc/47/21/09/571472109.db2.gz KLUPCHLJSSTZOR-UHFFFAOYSA-N 0 0 632.721 4.371 50 5 KIBARN CCOC(=O)c1sc(NC(=O)CSc2nnc(CNC(=O)COc3ccccc3)n2-c2ccc([N+](=O)[O-])cc2)c(C(=O)OCC)c1C ZINC000150390737 571473017 /nfs/dbraw/zinc/47/30/17/571473017.db2.gz AWJIMSXIDZIKKD-UHFFFAOYSA-N 0 0 682.737 4.325 50 5 KIBARN O=C(CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000150392145 571474464 /nfs/dbraw/zinc/47/44/64/571474464.db2.gz AITZCUOISIIXQM-VMPREFPWSA-N 0 0 670.635 4.022 50 5 KIBARN O=C(CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000150392146 571474363 /nfs/dbraw/zinc/47/43/63/571474363.db2.gz AITZCUOISIIXQM-WDYNHAJCSA-N 0 0 670.635 4.022 50 5 KIBARN O=C(CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000150392147 571474346 /nfs/dbraw/zinc/47/43/46/571474346.db2.gz AITZCUOISIIXQM-URLMMPGGSA-N 0 0 670.635 4.022 50 5 KIBARN O=C(CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000150392148 571474370 /nfs/dbraw/zinc/47/43/70/571474370.db2.gz AITZCUOISIIXQM-FQLXRVMXSA-N 0 0 670.635 4.022 50 5 KIBARN COc1cc(NC(=O)COC(=O)c2c(I)cc(I)c(N)c2I)c(C)cc1[N+](=O)[O-] ZINC000150395878 571476196 /nfs/dbraw/zinc/47/61/96/571476196.db2.gz UGZARUYRCPJZAX-UHFFFAOYSA-N 0 0 737.026 4.103 50 5 KIBARN O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1ccc(F)cc1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000150398554 571477217 /nfs/dbraw/zinc/47/72/17/571477217.db2.gz ORRRMCAHXKXLCC-UHFFFAOYSA-N 0 0 633.083 4.387 50 5 KIBARN COC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000150398855 571477496 /nfs/dbraw/zinc/47/74/96/571477496.db2.gz LINPHSMWTSWCMQ-QYIOYSLNSA-N 0 0 665.684 4.103 50 5 KIBARN COC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000150398858 571477480 /nfs/dbraw/zinc/47/74/80/571477480.db2.gz LINPHSMWTSWCMQ-MXLMUYMQSA-N 0 0 665.684 4.103 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000150399077 571477436 /nfs/dbraw/zinc/47/74/36/571477436.db2.gz MCFPFDWGAYKASJ-PEPUGYCWSA-N 0 0 679.711 4.493 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000150399081 571477577 /nfs/dbraw/zinc/47/75/77/571477577.db2.gz MCFPFDWGAYKASJ-NXYYLBPMSA-N 0 0 679.711 4.493 50 5 KIBARN COC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000150399088 571477499 /nfs/dbraw/zinc/47/74/99/571477499.db2.gz CZRMGJQRFICAOG-GORIGYSASA-N 0 0 695.710 4.112 50 5 KIBARN COC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000150399096 571477543 /nfs/dbraw/zinc/47/75/43/571477543.db2.gz CZRMGJQRFICAOG-VKSQQWFDSA-N 0 0 695.710 4.112 50 5 KIBARN COc1ccc(NS(=O)(=O)c2cc3c(c([N+](=O)[O-])c2)-c2c(cc(S(=O)(=O)Nc4ccc(OC)cc4)cc2[N+](=O)[O-])C3=O)cc1 ZINC000150400091 571477964 /nfs/dbraw/zinc/47/79/64/571477964.db2.gz WJVDXVYWNIMPFH-UHFFFAOYSA-N 0 0 640.608 4.333 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000150401153 571478216 /nfs/dbraw/zinc/47/82/16/571478216.db2.gz QHFMLOVBOFNPGD-BXMULHQWSA-N 0 0 643.674 4.413 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000150401157 571478221 /nfs/dbraw/zinc/47/82/21/571478221.db2.gz QHFMLOVBOFNPGD-FZEVDNDPSA-N 0 0 643.674 4.413 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000150401203 571478236 /nfs/dbraw/zinc/47/82/36/571478236.db2.gz BOJQBWIOQKYYMK-FJNIOPPGSA-N 0 0 645.690 4.311 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000150401206 571478255 /nfs/dbraw/zinc/47/82/55/571478255.db2.gz BOJQBWIOQKYYMK-TZUCAZQYSA-N 0 0 645.690 4.311 50 5 KIBARN CN(C)S(=O)(=O)c1cccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000150406851 571480053 /nfs/dbraw/zinc/48/00/53/571480053.db2.gz GJAZSMVAELGZSR-UHFFFAOYSA-N 0 0 621.015 4.351 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000150408182 571480589 /nfs/dbraw/zinc/48/05/89/571480589.db2.gz RYRONNHFTRUMSH-FCVOFCDTSA-N 0 0 629.647 4.023 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000150408187 571480583 /nfs/dbraw/zinc/48/05/83/571480583.db2.gz RYRONNHFTRUMSH-BUDNTJSZSA-N 0 0 629.647 4.023 50 5 KIBARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4ccc([N+](=O)[O-])cc4)n3C)[C@H](c3cccc(OC)c3OC)C2)cc1 ZINC000150411470 571483697 /nfs/dbraw/zinc/48/36/97/571483697.db2.gz PZQWRFUUOHNNFO-VWLOTQADSA-N 0 0 645.698 4.149 50 5 KIBARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4ccc([N+](=O)[O-])cc4)n3C)[C@@H](c3cccc(OC)c3OC)C2)cc1 ZINC000150411475 571483693 /nfs/dbraw/zinc/48/36/93/571483693.db2.gz PZQWRFUUOHNNFO-RUZDIDTESA-N 0 0 645.698 4.149 50 5 KIBARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4cccc([N+](=O)[O-])c4C)n3C)[C@H](c3cccc(OC)c3OC)C2)cc1 ZINC000150411715 571484012 /nfs/dbraw/zinc/48/40/12/571484012.db2.gz KREGHOCUVGMOJR-SANMLTNESA-N 0 0 659.725 4.458 50 5 KIBARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4cccc([N+](=O)[O-])c4C)n3C)[C@@H](c3cccc(OC)c3OC)C2)cc1 ZINC000150411720 571484121 /nfs/dbraw/zinc/48/41/21/571484121.db2.gz KREGHOCUVGMOJR-AREMUKBSSA-N 0 0 659.725 4.458 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000150439058 571497269 /nfs/dbraw/zinc/49/72/69/571497269.db2.gz PFHQEYNZYKXJQZ-UWRMONIRSA-N 0 0 660.617 4.144 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000150439065 571497249 /nfs/dbraw/zinc/49/72/49/571497249.db2.gz PFHQEYNZYKXJQZ-QVPVGFNESA-N 0 0 660.617 4.144 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000150439462 571497367 /nfs/dbraw/zinc/49/73/67/571497367.db2.gz NVAKTFUGKXWZQA-UPWSPCOFSA-N 0 0 646.634 4.424 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000150439466 571497392 /nfs/dbraw/zinc/49/73/92/571497392.db2.gz NVAKTFUGKXWZQA-ZJTZAHLKSA-N 0 0 646.634 4.424 50 5 KIBARN COc1ccc(CCNC(=O)c2ccc3c4nc5ccccc5n4c(SCC(=O)NCCc4ccc(S(N)(=O)=O)cc4)nc3c2)cc1OC ZINC000150443214 571499295 /nfs/dbraw/zinc/49/92/95/571499295.db2.gz MBFQWCWICHLBOD-UHFFFAOYSA-N 0 0 698.827 4.124 50 5 KIBARN COc1ccccc1N(CC(=O)Nc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000150446681 571501151 /nfs/dbraw/zinc/50/11/51/571501151.db2.gz UIBUOGNBYWSTPN-UHFFFAOYSA-N 0 0 635.611 4.363 50 5 KIBARN CCOc1ccc(Br)cc1S(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000150469538 571508716 /nfs/dbraw/zinc/50/87/16/571508716.db2.gz RLBDMAGACWNALF-HSZRJFAPSA-N 0 0 648.488 4.062 50 5 KIBARN CCOc1ccc(Br)cc1S(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)OCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000150469540 571508766 /nfs/dbraw/zinc/50/87/66/571508766.db2.gz RLBDMAGACWNALF-QHCPKHFHSA-N 0 0 648.488 4.062 50 5 KIBARN O=C(COC(=O)c1ccc(N2C(=O)C[C@@H](SC(=S)N3CCN(Cc4ccccc4)CC3)C2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000150483787 571514637 /nfs/dbraw/zinc/51/46/37/571514637.db2.gz KGUFEGHMWUMROC-HHHXNRCGSA-N 0 0 632.720 4.102 50 5 KIBARN O=C(COC(=O)c1ccc(N2C(=O)C[C@H](SC(=S)N3CCN(Cc4ccccc4)CC3)C2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000150483790 571514651 /nfs/dbraw/zinc/51/46/51/571514651.db2.gz KGUFEGHMWUMROC-MHZLTWQESA-N 0 0 632.720 4.102 50 5 KIBARN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3cc(Br)cc(Br)c3OC)CC2)c([N+](=O)[O-])c1 ZINC000150492281 571517148 /nfs/dbraw/zinc/51/71/48/571517148.db2.gz SMPAYDGNHVZMQH-UHFFFAOYSA-N 0 0 630.315 4.142 50 5 KIBARN CC(=O)Nc1ccc(OCCOC(=O)C2=C(C)NC(C)=C(C(=O)OCCNC(=O)c3ccccc3O)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000150508655 571519398 /nfs/dbraw/zinc/51/93/98/571519398.db2.gz IRALVMKJCPABNB-HKBQPEDESA-N 0 0 658.664 4.089 50 5 KIBARN CC(=O)Nc1ccc(OCCOC(=O)C2=C(C)NC(C)=C(C(=O)OCCNC(=O)c3ccccc3O)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000150508657 571519389 /nfs/dbraw/zinc/51/93/89/571519389.db2.gz IRALVMKJCPABNB-WJOKGBTCSA-N 0 0 658.664 4.089 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000150579959 571521641 /nfs/dbraw/zinc/52/16/41/571521641.db2.gz MCFPFDWGAYKASJ-PQNXSAFSSA-N 0 0 679.711 4.493 50 5 KIBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000150579963 571521725 /nfs/dbraw/zinc/52/17/25/571521725.db2.gz MCFPFDWGAYKASJ-DJPQNNMESA-N 0 0 679.711 4.493 50 5 KIBARN COC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000150598568 571522417 /nfs/dbraw/zinc/52/24/17/571522417.db2.gz CZRMGJQRFICAOG-FAVIKPSQSA-N 0 0 695.710 4.112 50 5 KIBARN COC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000150598572 571522321 /nfs/dbraw/zinc/52/23/21/571522321.db2.gz CZRMGJQRFICAOG-KJDHVJLISA-N 0 0 695.710 4.112 50 5 KIBARN COC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000150650260 571525414 /nfs/dbraw/zinc/52/54/14/571525414.db2.gz LINPHSMWTSWCMQ-SPLCHINYSA-N 0 0 665.684 4.103 50 5 KIBARN COC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000150650264 571525448 /nfs/dbraw/zinc/52/54/48/571525448.db2.gz LINPHSMWTSWCMQ-CCORILLZSA-N 0 0 665.684 4.103 50 5 KIBARN Cc1ccc([C@@H]2c3ccsc3CCN2CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](C)C2)cc1 ZINC000169677138 571554635 /nfs/dbraw/zinc/55/46/35/571554635.db2.gz PNACUEODDDPQLK-CCLHPLFOSA-N 0 0 518.639 4.285 50 5 KIBARN Cc1ccc([C@H]2c3ccsc3CCN2CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](C)C2)cc1 ZINC000169677139 571554555 /nfs/dbraw/zinc/55/45/55/571554555.db2.gz PNACUEODDDPQLK-DCFHFQCYSA-N 0 0 518.639 4.285 50 5 KIBARN COc1ccc(CCNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccccc4Cl)C[C@@H]23)cc1OC ZINC000169677171 571554854 /nfs/dbraw/zinc/55/48/54/571554854.db2.gz NYNUOLHDQRFSCX-GJZUVCINSA-N 0 0 551.043 4.492 50 5 KIBARN COc1ccc(CCNC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccccc4Cl)C[C@@H]23)cc1OC ZINC000169677172 571554862 /nfs/dbraw/zinc/55/48/62/571554862.db2.gz NYNUOLHDQRFSCX-NVQXNPDNSA-N 0 0 551.043 4.492 50 5 KIBARN COc1ccc(CCNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccccc4Cl)C[C@@H]23)cc1 ZINC000169677173 571554821 /nfs/dbraw/zinc/55/48/21/571554821.db2.gz KLSPOQMROUXJPJ-KCWPFWIISA-N 0 0 521.017 4.483 50 5 KIBARN COc1ccc(CCNC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccccc4Cl)C[C@@H]23)cc1 ZINC000169677174 571554830 /nfs/dbraw/zinc/55/48/30/571554830.db2.gz KLSPOQMROUXJPJ-HOFKKMOUSA-N 0 0 521.017 4.483 50 5 KIBARN COc1ccc(CCNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CCN(c4cc(Cl)ccc4OC)C[C@@H]23)cc1 ZINC000169677394 571554987 /nfs/dbraw/zinc/55/49/87/571554987.db2.gz BAALNHIKAJHSTM-SQHAQQRYSA-N 0 0 551.043 4.492 50 5 KIBARN COc1ccc(CCNC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CCN(c4cc(Cl)ccc4OC)C[C@@H]23)cc1 ZINC000169677396 571555148 /nfs/dbraw/zinc/55/51/48/571555148.db2.gz BAALNHIKAJHSTM-IGKIAQTJSA-N 0 0 551.043 4.492 50 5 KIBARN COc1ccc([C@@H]2c3ccsc3CCN2CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H](C)C2)cc1 ZINC000169677806 571555270 /nfs/dbraw/zinc/55/52/70/571555270.db2.gz UISXWPQYBCBOJK-XRHLQHRESA-N 0 0 605.138 4.187 50 5 KIBARN Cc1ccccc1[C@@H]1c2ccsc2CCN1CC(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000169678404 571555628 /nfs/dbraw/zinc/55/56/28/571555628.db2.gz DQCUEAMQQWIAIZ-CCLHPLFOSA-N 0 0 518.639 4.285 50 5 KIBARN O=C(NCCc1ccccc1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169679064 571556071 /nfs/dbraw/zinc/55/60/71/571556071.db2.gz YTENJFBTRJIYDR-VPUSJEBWSA-N 0 0 505.018 4.470 50 5 KIBARN O=C(NCCc1ccccc1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169679065 571556121 /nfs/dbraw/zinc/55/61/21/571556121.db2.gz YTENJFBTRJIYDR-BDYUSTAISA-N 0 0 505.018 4.470 50 5 KIBARN Cc1ccc([C@@H]2c3ccsc3CCN2CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H](C)C2)cc1 ZINC000169680858 571557248 /nfs/dbraw/zinc/55/72/48/571557248.db2.gz GTJMXBROCOSFQZ-UZTOHYMASA-N 0 0 589.139 4.487 50 5 KIBARN Cc1ccc([C@H]2c3ccsc3CCN2CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H](C)C2)cc1 ZINC000169680859 571557341 /nfs/dbraw/zinc/55/73/41/571557341.db2.gz GTJMXBROCOSFQZ-PPHZAIPVSA-N 0 0 589.139 4.487 50 5 KIBARN Cc1ccccc1[C@@H]1c2ccsc2CCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000169680867 571557153 /nfs/dbraw/zinc/55/71/53/571557153.db2.gz YDCWHIJJWPXFOJ-UZTOHYMASA-N 0 0 589.139 4.487 50 5 KIBARN Cc1ccc([C@@H]2c3ccsc3CCN2CC(=O)N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H](C)C2)cc1 ZINC000169680895 571557130 /nfs/dbraw/zinc/55/71/30/571557130.db2.gz QQWIDZSQXFREFM-CCLHPLFOSA-N 0 0 518.639 4.285 50 5 KIBARN Cc1ccc([C@H]2c3ccsc3CCN2CC(=O)N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H](C)C2)cc1 ZINC000169680896 571557200 /nfs/dbraw/zinc/55/72/00/571557200.db2.gz QQWIDZSQXFREFM-DCFHFQCYSA-N 0 0 518.639 4.285 50 5 KIBARN COc1ccc(CCNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccc(C)cc4)C[C@@H]23)cc1OC ZINC000169681737 571557591 /nfs/dbraw/zinc/55/75/91/571557591.db2.gz MEMMZTPMQLHANU-VPUSJEBWSA-N 0 0 530.625 4.147 50 5 KIBARN COc1ccc(CCNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccc(C)cc4)C[C@@H]23)cc1 ZINC000169681762 571557597 /nfs/dbraw/zinc/55/75/97/571557597.db2.gz PFRPVGBUHVUDBX-IAPPQJPRSA-N 0 0 500.599 4.138 50 5 KIBARN COc1ccccc1CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccc(C)cc3)C[C@@H]12 ZINC000169681770 571557441 /nfs/dbraw/zinc/55/74/41/571557441.db2.gz CNPVJUINVDQXKN-VPUSJEBWSA-N 0 0 500.599 4.138 50 5 KIBARN COC(=O)c1c2c(sc1N1C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C1=O)CCCC2 ZINC000169688912 571558511 /nfs/dbraw/zinc/55/85/11/571558511.db2.gz FIYGEGLBLLMZJD-RJGXRXQPSA-N 0 0 533.562 4.373 50 5 KIBARN O=[N+]([O-])c1ccc(N2[C@@H]3[C@H]2[C@@H]2O[C@@H](c4ccccc4)OC[C@H]2O[C@@H]3OCc2ccccc2)c([N+](=O)[O-])c1 ZINC000198687308 571568244 /nfs/dbraw/zinc/56/82/44/571568244.db2.gz JZWOPSALDGBWJX-JBAPINDFSA-N 0 0 505.483 4.116 50 5 KIBARN O=[N+]([O-])c1ccc(N2[C@@H]3[C@H]2[C@@H]2O[C@H](c4ccccc4)OC[C@H]2O[C@@H]3OCc2ccccc2)c([N+](=O)[O-])c1 ZINC000198687336 571568172 /nfs/dbraw/zinc/56/81/72/571568172.db2.gz JZWOPSALDGBWJX-ZLVXJJHASA-N 0 0 505.483 4.116 50 5 KIBARN CC(=O)O[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](OCc2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]21 ZINC000198687553 571568206 /nfs/dbraw/zinc/56/82/06/571568206.db2.gz OICJXSYMKNQZIP-PYFBZWTESA-N 0 0 565.535 4.271 50 5 KIBARN CC(=O)O[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](OCc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]21 ZINC000198687573 571568250 /nfs/dbraw/zinc/56/82/50/571568250.db2.gz OICJXSYMKNQZIP-NIVXRMQLSA-N 0 0 565.535 4.271 50 5 KIBARN Cc1ccc([N+](=O)[O-])c(NC(=O)C(=O)Cc2nc3cc([N+](=O)[O-])ccc3nc2C(=O)Nc2ccccc2C)c1C ZINC000198723165 571568709 /nfs/dbraw/zinc/56/87/09/571568709.db2.gz ZJJKQBUZVSQEGZ-UHFFFAOYSA-N 0 0 542.508 4.374 50 5 KIBARN COc1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1NC(=O)c1sc2nc(C)ccc2c1N ZINC000215692062 571584883 /nfs/dbraw/zinc/58/48/83/571584883.db2.gz CQJUEPRQTKKAHJ-UHFFFAOYSA-N 0 0 520.523 4.396 50 5 KIBARN COc1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1sc2nc(C)ccc2c1N ZINC000215692339 571584860 /nfs/dbraw/zinc/58/48/60/571584860.db2.gz JWVRYNJCXACOND-UHFFFAOYSA-N 0 0 520.523 4.396 50 5 KIBARN O=C(CSc1ncccc1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(C(F)(F)F)cn1 ZINC000215713647 571585196 /nfs/dbraw/zinc/58/51/96/571585196.db2.gz GIEUYIULTGRJTE-UHFFFAOYSA-N 0 0 520.445 4.174 50 5 KIBARN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O ZINC000217976967 571602979 /nfs/dbraw/zinc/60/29/79/571602979.db2.gz PMOFEUADORFXTM-KCZVDYSFSA-N 0 0 585.323 4.031 50 5 KIBARN CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O ZINC000217979690 571603079 /nfs/dbraw/zinc/60/30/79/571603079.db2.gz OBCHPPWWIMNPNJ-MQSCRBSSSA-N 0 0 599.350 4.421 50 5 KIBARN COc1ccc([C@@H]2C[C@@H](CNC(=O)C3CCN(c4c([N+](=O)[O-])cc(C(F)(F)F)cc4[N+](=O)[O-])CC3)ON2C)cc1 ZINC000221576405 571604335 /nfs/dbraw/zinc/60/43/35/571604335.db2.gz GEOKJAUUTGCLSD-PMACEKPBSA-N 0 0 567.521 4.240 50 5 KIBARN COc1ccc([C@H]2C[C@@H](CNC(=O)C3CCN(c4c([N+](=O)[O-])cc(C(F)(F)F)cc4[N+](=O)[O-])CC3)ON2C)cc1 ZINC000221576470 571604328 /nfs/dbraw/zinc/60/43/28/571604328.db2.gz GEOKJAUUTGCLSD-VQTJNVASSA-N 0 0 567.521 4.240 50 5 KIBARN CN1O[C@H](CNC(=O)C2CCN(c3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C[C@@H]1c1ccccc1 ZINC000221576646 571604361 /nfs/dbraw/zinc/60/43/61/571604361.db2.gz IJGWXJYKPWJGNX-RBUKOAKNSA-N 0 0 537.495 4.231 50 5 KIBARN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])cc1OC ZINC000225160644 571653336 /nfs/dbraw/zinc/65/33/36/571653336.db2.gz FAQNPEIKAMSWSM-DNVJHFABSA-N 0 0 554.899 4.225 50 5 KIBARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1Br ZINC000225161020 571653322 /nfs/dbraw/zinc/65/33/22/571653322.db2.gz RJTYUCOHLBWUEK-YPAWHYETSA-N 0 0 569.324 4.325 50 5 KIBARN Cn1ncc(Cl)c1C(=O)Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000225161191 571653393 /nfs/dbraw/zinc/65/33/93/571653393.db2.gz AYXKOFJTDDUYNG-JBRSBNLGSA-N 0 0 618.946 4.160 50 5 KIBARN Cn1ncc(Cl)c1C(=O)Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000225161239 571653418 /nfs/dbraw/zinc/65/34/18/571653418.db2.gz AYXKOFJTDDUYNG-VDKIKQQVSA-N 0 0 618.946 4.160 50 5 KIBARN CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccc(F)cc3)[C@H](c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000225494720 571864579 /nfs/dbraw/zinc/86/45/79/571864579.db2.gz UEAWQYWSUIMMPT-QHCPKHFHSA-N 0 0 532.575 4.036 50 5 KIBARN CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccc(F)cc3)[C@@H](c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000225494751 571864710 /nfs/dbraw/zinc/86/47/10/571864710.db2.gz UEAWQYWSUIMMPT-HSZRJFAPSA-N 0 0 532.575 4.036 50 5 KIBARN CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3cccc(F)c3)[C@H](c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000225505780 571876055 /nfs/dbraw/zinc/87/60/55/571876055.db2.gz RTKKSIMHSSSTFF-QHCPKHFHSA-N 0 0 532.575 4.036 50 5 KIBARN CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3cccc(F)c3)[C@@H](c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000225505816 571876471 /nfs/dbraw/zinc/87/64/71/571876471.db2.gz RTKKSIMHSSSTFF-HSZRJFAPSA-N 0 0 532.575 4.036 50 5 KIBARN COc1ccc(C2=NN(C(=O)CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000225634757 571986236 /nfs/dbraw/zinc/98/62/36/571986236.db2.gz YSHCGSODMYOYND-NDEPHWFRSA-N 0 0 513.598 4.412 50 5 KIBARN COc1ccc(C2=NN(C(=O)CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000225634781 571986363 /nfs/dbraw/zinc/98/63/63/571986363.db2.gz YSHCGSODMYOYND-MUUNZHRXSA-N 0 0 513.598 4.412 50 5 KIBARN COc1ccc(C2=NN(C(=O)CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)[C@H](c3cccc(F)c3)C2)cc1 ZINC000225781162 572066812 /nfs/dbraw/zinc/06/68/12/572066812.db2.gz JUDVCLKCAZLKQL-MHZLTWQESA-N 0 0 517.561 4.242 50 5 KIBARN COc1ccc(C2=NN(C(=O)CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)[C@@H](c3cccc(F)c3)C2)cc1 ZINC000225781183 572067110 /nfs/dbraw/zinc/06/71/10/572067110.db2.gz JUDVCLKCAZLKQL-HHHXNRCGSA-N 0 0 517.561 4.242 50 5 KIBARN CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O ZINC000227017879 572146596 /nfs/dbraw/zinc/14/65/96/572146596.db2.gz OBCHPPWWIMNPNJ-QZNHQXDQSA-N 0 0 599.350 4.421 50 5 KIBARN O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000227018664 572147661 /nfs/dbraw/zinc/14/76/61/572147661.db2.gz NVNKPUXJRAPYLI-GMQQYTKMSA-N 0 0 571.567 4.414 50 5 KIBARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000227018921 572147191 /nfs/dbraw/zinc/14/71/91/572147191.db2.gz JKHDSYGWXDPJOK-YZUZCNPQSA-N 0 0 539.928 4.325 50 5 KIBARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000227025627 572147445 /nfs/dbraw/zinc/14/74/45/572147445.db2.gz SOCZUBKHWHVTLQ-GMQQYTKMSA-N 0 0 571.567 4.414 50 5 KIBARN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])cc1OC ZINC000227082184 572149521 /nfs/dbraw/zinc/14/95/21/572149521.db2.gz FAQNPEIKAMSWSM-YTFSRNRJSA-N 0 0 554.899 4.225 50 5 KIBARN CCOc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC)c(OC)c4OC)[C@@H]3C2=O)cc1 ZINC000227083490 572149811 /nfs/dbraw/zinc/14/98/11/572149811.db2.gz PYWWPPKIHWRSDQ-JCYRPKCISA-N 0 0 549.536 4.070 50 5 KIBARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1Br ZINC000227084001 572149836 /nfs/dbraw/zinc/14/98/36/572149836.db2.gz RJTYUCOHLBWUEK-BHDDXSALSA-N 0 0 569.324 4.325 50 5 KIBARN COc1ccc(Br)cc1[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2ON1c1ccccc1 ZINC000227085326 572149889 /nfs/dbraw/zinc/14/98/89/572149889.db2.gz HNVLDXYMDUHYGF-BHDDXSALSA-N 0 0 524.327 4.417 50 5 KIBARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000227085899 572150522 /nfs/dbraw/zinc/15/05/22/572150522.db2.gz UFSNNNOBEIVFME-YZUZCNPQSA-N 0 0 539.928 4.325 50 5 KIBARN COc1ccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1Br ZINC000227235156 572151714 /nfs/dbraw/zinc/15/17/14/572151714.db2.gz ZVLJIPOFYVHUDN-YTFSRNRJSA-N 0 0 538.354 4.413 50 5 KIBARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000227236402 572151836 /nfs/dbraw/zinc/15/18/36/572151836.db2.gz OOYIYJUIOLYHID-GMQQYTKMSA-N 0 0 571.567 4.414 50 5 KIBARN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000227237425 572151695 /nfs/dbraw/zinc/15/16/95/572151695.db2.gz JDEKMCAUEFMCIR-YTFSRNRJSA-N 0 0 554.353 4.426 50 5 KIBARN COc1cc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O ZINC000227238791 572152396 /nfs/dbraw/zinc/15/23/96/572152396.db2.gz KDQRKIRJGGNYDL-QZNHQXDQSA-N 0 0 554.353 4.118 50 5 KIBARN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3ON2c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000227245394 572153013 /nfs/dbraw/zinc/15/30/13/572153013.db2.gz FYPNFKXDECGYAK-BHDDXSALSA-N 0 0 540.326 4.123 50 5 KIBARN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O ZINC000227245714 572152917 /nfs/dbraw/zinc/15/29/17/572152917.db2.gz PMOFEUADORFXTM-TUNNFDKTSA-N 0 0 585.323 4.031 50 5 KIBARN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OC ZINC000227245847 572152952 /nfs/dbraw/zinc/15/29/52/572152952.db2.gz FEIXJYOIIGFHJV-ISJGIBHGSA-N 0 0 503.511 4.443 50 5 KIBARN COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)c1 ZINC000227247052 572152826 /nfs/dbraw/zinc/15/28/26/572152826.db2.gz XXNYYPINKCEHAO-BHDDXSALSA-N 0 0 524.327 4.417 50 5 KIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 ZINC000229596681 572155236 /nfs/dbraw/zinc/15/52/36/572155236.db2.gz UEGVIOWJDSMQJJ-KEZOAJOQSA-N 0 0 559.376 4.386 50 5 KIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 ZINC000229597644 572155170 /nfs/dbraw/zinc/15/51/70/572155170.db2.gz JIELLSOSXQTUFY-KEZOAJOQSA-N 0 0 559.376 4.386 50 5 KIBARN O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2CCCN2[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@]12C(=O)Nc1ccccc12 ZINC000229608694 572155881 /nfs/dbraw/zinc/15/58/81/572155881.db2.gz QILMXKJVQQGJMN-DIMQNKOASA-N 0 0 528.952 4.263 50 5 KIBARN O=C(C1=C2C(O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=NN12)c1ccc(Cl)cc1 ZINC000229610369 572156245 /nfs/dbraw/zinc/15/62/45/572156245.db2.gz CRGUNCJDWJDPDE-BJESRGMDSA-N 0 0 500.898 4.010 50 5 KIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 ZINC000229615878 572157194 /nfs/dbraw/zinc/15/71/94/572157194.db2.gz LFDJABJOWZRAMW-KEZOAJOQSA-N 0 0 514.925 4.277 50 5 KIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 ZINC000229640469 572158414 /nfs/dbraw/zinc/15/84/14/572158414.db2.gz ICJHQWJPYHPIFN-KEZOAJOQSA-N 0 0 514.925 4.277 50 5 KIBARN CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cc(OC)c(OC)cc4[N+](=O)[O-])[C@@H]3C2=O)cc1 ZINC000229895136 572166585 /nfs/dbraw/zinc/16/65/85/572166585.db2.gz OLGQGZQSNYLOIX-JIMJEQGWSA-N 0 0 533.537 4.452 50 5 KIBARN CCOc1ccccc1N1C(=O)[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(OC)c(OC)c3OC)[C@@H]2C1=O ZINC000229899025 572167342 /nfs/dbraw/zinc/16/73/42/572167342.db2.gz ZYJAUJFJYYVXMJ-PPJWLVRDSA-N 0 0 549.536 4.070 50 5 KIBARN CCCOc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC)c(OC)c4OC)[C@@H]3C2=O)cc1 ZINC000229900597 572167513 /nfs/dbraw/zinc/16/75/13/572167513.db2.gz UUJWSXITQVVYAS-CLCZQPDDSA-N 0 0 563.563 4.461 50 5 KIBARN O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C(=O)N1c1ccccc1 ZINC000229918376 572169703 /nfs/dbraw/zinc/16/97/03/572169703.db2.gz NVNKPUXJRAPYLI-KWXIBIRDSA-N 0 0 571.567 4.414 50 5 KIBARN CCc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cc(OC)c(OC)cc4[N+](=O)[O-])[C@@H]3C2=O)cc1 ZINC000229930380 572170867 /nfs/dbraw/zinc/17/08/67/572170867.db2.gz FQNHOCGMAWGFMS-ISJGIBHGSA-N 0 0 503.511 4.226 50 5 KIBARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000229943035 572172295 /nfs/dbraw/zinc/17/22/95/572172295.db2.gz SOCZUBKHWHVTLQ-OYUWMTPXSA-N 0 0 571.567 4.414 50 5 KIBARN CCc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC)c(OC)c4OC)[C@@H]3C2=O)cc1 ZINC000229943073 572172632 /nfs/dbraw/zinc/17/26/32/572172632.db2.gz RADCEGHLIMOCJX-PPJWLVRDSA-N 0 0 533.537 4.234 50 5 KIBARN COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O ZINC000229967739 572174479 /nfs/dbraw/zinc/17/44/79/572174479.db2.gz XUBDRKSUSLFYIY-PWRODBHTSA-N 0 0 507.524 4.111 50 5 KIBARN COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O ZINC000229967802 572174464 /nfs/dbraw/zinc/17/44/64/572174464.db2.gz QAVGYZMLNOINKU-PWRODBHTSA-N 0 0 507.524 4.111 50 5 KIBARN COC(=O)c1c2c(sc1N1C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C1=O)CCCC2 ZINC000229967839 572174582 /nfs/dbraw/zinc/17/45/82/572174582.db2.gz NRMQXNDENAVQLR-YTFSRNRJSA-N 0 0 533.562 4.373 50 5 KIBARN O=C(C1=C2C(O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12)c1ccc(Cl)cc1 ZINC000229978474 572176050 /nfs/dbraw/zinc/17/60/50/572176050.db2.gz CRGUNCJDWJDPDE-ODAXIHTASA-N 0 0 500.898 4.010 50 5 KIBARN CCCOc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(O)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000229988961 572176917 /nfs/dbraw/zinc/17/69/17/572176917.db2.gz IKQUMOKDPCFEJQ-ISJGIBHGSA-N 0 0 519.510 4.149 50 5 KIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 ZINC000230000257 572177698 /nfs/dbraw/zinc/17/76/98/572177698.db2.gz OFSSHTWKXANFPL-KEZOAJOQSA-N 0 0 514.925 4.277 50 5 KIBARN CC(C)[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000230012082 572178514 /nfs/dbraw/zinc/17/85/14/572178514.db2.gz IGNGLCCXNLJZNA-KTWGYSIQSA-N 0 0 538.556 4.238 50 5 KIBARN O=C(C1=C2C(O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12)c1ccc(Cl)cc1 ZINC000230035191 572180695 /nfs/dbraw/zinc/18/06/95/572180695.db2.gz UAYKPOXLAOMKCT-ODAXIHTASA-N 0 0 500.898 4.010 50 5 KIBARN CCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]2[C@@H]2C=Cc3c4ccccc4ccc3N21 ZINC000230050609 572181758 /nfs/dbraw/zinc/18/17/58/572181758.db2.gz BGGHYNLSYCAQES-RBVMOCNTSA-N 0 0 517.925 4.354 50 5 KIBARN O=C(C1=C2C(O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12)c1ccccc1 ZINC000230055503 572181753 /nfs/dbraw/zinc/18/17/53/572181753.db2.gz UHTBJYZILVMUJT-ODAXIHTASA-N 0 0 500.898 4.010 50 5 KIBARN O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@@H]2C=C(Cc3ccc([N+](=O)[O-])cc3)C=CN21 ZINC000230098486 572183507 /nfs/dbraw/zinc/18/35/07/572183507.db2.gz JNIHNHHTMVBUCU-LJWNLINESA-N 0 0 564.554 4.236 50 5 KIBARN COc1c(Nc2cc(C)[nH]n2)nc(Sc2ccc(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3F)cc2F)nc1N1CCOCC1 ZINC000230585796 572187162 /nfs/dbraw/zinc/18/71/62/572187162.db2.gz HHJSKDRCUMVWKF-UHFFFAOYSA-N 0 0 633.659 4.408 50 5 in-vitro KIBARN COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2C1=O ZINC000238923890 572189111 /nfs/dbraw/zinc/18/91/11/572189111.db2.gz QAVGYZMLNOINKU-NJDAHSKKSA-N 0 0 507.524 4.111 50 5 KIBARN COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C1=O ZINC000238950389 572189559 /nfs/dbraw/zinc/18/95/59/572189559.db2.gz XUBDRKSUSLFYIY-NJDAHSKKSA-N 0 0 507.524 4.111 50 5 KIBARN O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@]1(c3ccc(Br)cc3)C=C[C@H]2[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21 ZINC000239235341 572192205 /nfs/dbraw/zinc/19/22/05/572192205.db2.gz VUOZPCYXKGQHQC-KXELRPBOSA-N 0 0 643.406 4.315 50 5 KIBARN O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)C1(c3ccc(Br)cc3)C=CC2[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21 ZINC000239235342 572192242 /nfs/dbraw/zinc/19/22/42/572192242.db2.gz VUOZPCYXKGQHQC-PQUSFJFASA-N 0 0 643.406 4.315 50 5 KIBARN O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@]1(c3ccc(Br)cc3)C=C[C@H]2[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21 ZINC000239235343 572192237 /nfs/dbraw/zinc/19/22/37/572192237.db2.gz VUOZPCYXKGQHQC-UWIIGJJNSA-N 0 0 643.406 4.315 50 5 KIBARN O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@]1(c3ccc(Br)cc3)C=C[C@H]2[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21 ZINC000239235344 572192218 /nfs/dbraw/zinc/19/22/18/572192218.db2.gz VUOZPCYXKGQHQC-VLAVAOSJSA-N 0 0 643.406 4.315 50 5 KIBARN C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@H]21 ZINC000244852585 572200288 /nfs/dbraw/zinc/20/02/88/572200288.db2.gz UVEZOLWJGBQGNB-GIWSNZPPSA-N 0 0 516.337 4.339 50 5 KIBARN C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@H]21 ZINC000244852586 572200346 /nfs/dbraw/zinc/20/03/46/572200346.db2.gz UVEZOLWJGBQGNB-MPKWNAGQSA-N 0 0 516.337 4.339 50 5 KIBARN CCOC(=O)C1=C(COC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)NC(=O)N[C@H]1c1cccs1 ZINC000245228433 572204918 /nfs/dbraw/zinc/20/49/18/572204918.db2.gz XXJRVIXSYVBTLS-LNPFQXMTSA-N 0 0 542.614 4.167 50 5 KIBARN COC(=O)c1c2c(sc1N1C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C1=O)CCCC2 ZINC000245238180 572211466 /nfs/dbraw/zinc/21/14/66/572211466.db2.gz FIYGEGLBLLMZJD-XPWALMASSA-N 0 0 533.562 4.373 50 5 KIBARN COc1ccc(S(=O)(=O)N2C[C@H]3c4ccccc4CCN3[C@H]2c2cccc([N+](=O)[O-])c2)c2cccnc12 ZINC000245238267 572211382 /nfs/dbraw/zinc/21/13/82/572211382.db2.gz IDGBAVGWJSRDPC-WNCULLNHSA-N 0 0 516.579 4.454 50 5 KIBARN COc1ccc(S(=O)(=O)N2C[C@@H]3c4ccccc4CCN3[C@H]2c2cccc([N+](=O)[O-])c2)c2cccnc12 ZINC000245238268 572211437 /nfs/dbraw/zinc/21/14/37/572211437.db2.gz IDGBAVGWJSRDPC-YIXXDRMTSA-N 0 0 516.579 4.454 50 5 KIBARN C[C@@H]1C[C@H](C)CN(C(=S)S[C@H]2CC(=O)N(c3ccc(C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)cc3)C2=O)C1 ZINC000245239584 572213112 /nfs/dbraw/zinc/21/31/12/572213112.db2.gz KQVRIDOKPGLXNC-MFEFFIJZSA-N 0 0 569.661 4.262 50 5 KIBARN C[C@@H]1C[C@@H](C)CN(C(=S)S[C@H]2CC(=O)N(c3ccc(C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)cc3)C2=O)C1 ZINC000245239585 572213052 /nfs/dbraw/zinc/21/30/52/572213052.db2.gz KQVRIDOKPGLXNC-QZMQVMSPSA-N 0 0 569.661 4.262 50 5 KIBARN CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cc(OC)c(OC)cc4[N+](=O)[O-])[C@H]3C2=O)cc1 ZINC000245245189 572217258 /nfs/dbraw/zinc/21/72/58/572217258.db2.gz BJUJRUBMXKWMAE-DSNGMDLFSA-N 0 0 519.510 4.062 50 5 KIBARN CCOc1cccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC)c(OC)c4OC)[C@H]3C2=O)c1 ZINC000245246113 572218671 /nfs/dbraw/zinc/21/86/71/572218671.db2.gz IWQXEEHDZDOYMZ-JQYIIUTOSA-N 0 0 549.536 4.070 50 5 KIBARN CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cc(OC)c(OC)cc4[N+](=O)[O-])[C@H]3C2=O)cc1 ZINC000245246802 572219935 /nfs/dbraw/zinc/21/99/35/572219935.db2.gz OLGQGZQSNYLOIX-TWJOJJKGSA-N 0 0 533.537 4.452 50 5 KIBARN CCOc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC)c(OC)c4OC)[C@H]3C2=O)cc1 ZINC000245246870 572220385 /nfs/dbraw/zinc/22/03/85/572220385.db2.gz PYWWPPKIHWRSDQ-MVERNJQCSA-N 0 0 549.536 4.070 50 5 KIBARN CCCOc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC)c(OC)c4OC)[C@H]3C2=O)cc1 ZINC000245247526 572220880 /nfs/dbraw/zinc/22/08/80/572220880.db2.gz UUJWSXITQVVYAS-FKCDAAJZSA-N 0 0 563.563 4.461 50 5 KIBARN O=C1[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCc4ccccc4[C@H]32)C(=O)N1c1ccc(Cl)cc1 ZINC000245256140 572222526 /nfs/dbraw/zinc/22/25/26/572222526.db2.gz OCTWHJYZKKWRBY-BKMJKUGQSA-N 0 0 502.914 4.178 50 5 KIBARN COC(=O)c1c2c(sc1N1C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@H]3C1=O)CCCC2 ZINC000245296660 572226565 /nfs/dbraw/zinc/22/65/65/572226565.db2.gz NRMQXNDENAVQLR-DNVJHFABSA-N 0 0 533.562 4.373 50 5 KIBARN CCCOc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(O)c(OC)c4)[C@H]3C2=O)cc1 ZINC000245310357 572228151 /nfs/dbraw/zinc/22/81/51/572228151.db2.gz IKQUMOKDPCFEJQ-UBFVSLLYSA-N 0 0 519.510 4.149 50 5 KIBARN C[C@]12C[C@H](CC(C)(C)C1)N1c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(Cc4ccccc4)C3=O)[C@@H]12 ZINC000245326423 572232389 /nfs/dbraw/zinc/23/23/89/572232389.db2.gz JWRZZLCHFOAEFJ-PJXYBYSVSA-N 0 0 502.571 4.190 50 5 KIBARN O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000245327269 572233514 /nfs/dbraw/zinc/23/35/14/572233514.db2.gz NVNKPUXJRAPYLI-OYUWMTPXSA-N 0 0 571.567 4.414 50 5 KIBARN O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C(=O)N1c1ccccc1 ZINC000245327272 572233702 /nfs/dbraw/zinc/23/37/02/572233702.db2.gz NVNKPUXJRAPYLI-ZONZVBGPSA-N 0 0 571.567 4.414 50 5 KIBARN CCOc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3cc(OC)c(OC)cc3[N+](=O)[O-])[C@H]2C1=O ZINC000245327774 572234454 /nfs/dbraw/zinc/23/44/54/572234454.db2.gz QWUODKRCDPQNSH-DSNGMDLFSA-N 0 0 519.510 4.062 50 5 KIBARN CCc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC)c(OC)c4OC)[C@H]3C2=O)cc1 ZINC000245327780 572234500 /nfs/dbraw/zinc/23/45/00/572234500.db2.gz RADCEGHLIMOCJX-JQYIIUTOSA-N 0 0 533.537 4.234 50 5 KIBARN CCOc1ccccc1N1C(=O)[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(OC)c(OC)c3OC)[C@H]2C1=O ZINC000245329513 572236024 /nfs/dbraw/zinc/23/60/24/572236024.db2.gz ZYJAUJFJYYVXMJ-JQYIIUTOSA-N 0 0 549.536 4.070 50 5 KIBARN O=C(C1=C2C(O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12)c1ccc(Cl)cc1 ZINC000247296709 572241065 /nfs/dbraw/zinc/24/10/65/572241065.db2.gz CRGUNCJDWJDPDE-LUKWVAJMSA-N 0 0 500.898 4.010 50 5 KIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@H]2C=Cc3ccccc3N21 ZINC000247310091 572241266 /nfs/dbraw/zinc/24/12/66/572241266.db2.gz ICJHQWJPYHPIFN-QPXUXIHVSA-N 0 0 514.925 4.277 50 5 KIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21 ZINC000247310104 572241329 /nfs/dbraw/zinc/24/13/29/572241329.db2.gz ICJHQWJPYHPIFN-XQUALCHDSA-N 0 0 514.925 4.277 50 5 KIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@H]2C=Cc3ccccc3N21 ZINC000247313922 572241189 /nfs/dbraw/zinc/24/11/89/572241189.db2.gz JIELLSOSXQTUFY-QPXUXIHVSA-N 0 0 559.376 4.386 50 5 KIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21 ZINC000247313937 572241296 /nfs/dbraw/zinc/24/12/96/572241296.db2.gz JIELLSOSXQTUFY-XQUALCHDSA-N 0 0 559.376 4.386 50 5 KIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 ZINC000247313943 572241350 /nfs/dbraw/zinc/24/13/50/572241350.db2.gz JIELLSOSXQTUFY-YCAMKHIRSA-N 0 0 559.376 4.386 50 5 KIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]2[C@H]2C=Cc3ccccc3N21 ZINC000247318646 572241317 /nfs/dbraw/zinc/24/13/17/572241317.db2.gz LFDJABJOWZRAMW-QPXUXIHVSA-N 0 0 514.925 4.277 50 5 KIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21 ZINC000247318658 572241193 /nfs/dbraw/zinc/24/11/93/572241193.db2.gz LFDJABJOWZRAMW-XQUALCHDSA-N 0 0 514.925 4.277 50 5 KIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 ZINC000247318671 572241332 /nfs/dbraw/zinc/24/13/32/572241332.db2.gz LFDJABJOWZRAMW-YCAMKHIRSA-N 0 0 514.925 4.277 50 5 KIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@H]2C=Cc3ccccc3N21 ZINC000247328385 572241566 /nfs/dbraw/zinc/24/15/66/572241566.db2.gz OFSSHTWKXANFPL-QPXUXIHVSA-N 0 0 514.925 4.277 50 5 KIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21 ZINC000247328390 572241624 /nfs/dbraw/zinc/24/16/24/572241624.db2.gz OFSSHTWKXANFPL-XQUALCHDSA-N 0 0 514.925 4.277 50 5 KIBARN O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2CCCN2[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@]12C(=O)Nc1ccccc12 ZINC000247335268 572241535 /nfs/dbraw/zinc/24/15/35/572241535.db2.gz QILMXKJVQQGJMN-GOUQPXDXSA-N 0 0 528.952 4.263 50 5 KIBARN O=C(C1=C2C(O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12)c1ccc(Cl)cc1 ZINC000247344273 572242014 /nfs/dbraw/zinc/24/20/14/572242014.db2.gz UAYKPOXLAOMKCT-LUKWVAJMSA-N 0 0 500.898 4.010 50 5 KIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]2[C@H]2C=Cc3ccccc3N21 ZINC000247345263 572241878 /nfs/dbraw/zinc/24/18/78/572241878.db2.gz UEGVIOWJDSMQJJ-QPXUXIHVSA-N 0 0 559.376 4.386 50 5 KIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21 ZINC000247345275 572241981 /nfs/dbraw/zinc/24/19/81/572241981.db2.gz UEGVIOWJDSMQJJ-XQUALCHDSA-N 0 0 559.376 4.386 50 5 KIBARN O=C(C1=C2C(O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]2[C@@H]2c3ccccc3C=NN12)c1ccccc1 ZINC000247345550 572241858 /nfs/dbraw/zinc/24/18/58/572241858.db2.gz UHTBJYZILVMUJT-BJESRGMDSA-N 0 0 500.898 4.010 50 5 KIBARN O=C(C1=C2C(O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12)c1ccccc1 ZINC000247345562 572241870 /nfs/dbraw/zinc/24/18/70/572241870.db2.gz UHTBJYZILVMUJT-LUKWVAJMSA-N 0 0 500.898 4.010 50 5 KIBARN COC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc([N+](=O)[O-])cc3)N3C=Cc4ccccc4[C@H]23)C1O ZINC000247808672 572245324 /nfs/dbraw/zinc/24/53/24/572245324.db2.gz BEEMOXPCOZCOQX-OLKYXYMISA-N 0 0 557.584 4.458 50 5 KIBARN COC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc([N+](=O)[O-])cc3)N3C=Cc4ccccc4[C@@H]23)C1O ZINC000247808673 572245328 /nfs/dbraw/zinc/24/53/28/572245328.db2.gz BEEMOXPCOZCOQX-UARRHKHWSA-N 0 0 557.584 4.458 50 5 KIBARN Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=Cc5ccccc5N4[C@@H](C(=O)Nc4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)c(C)c1 ZINC000247857510 572246622 /nfs/dbraw/zinc/24/66/22/572246622.db2.gz DGPYGWKOWBDUQU-ASDGIDEWSA-N 0 0 508.534 4.240 50 5 KIBARN Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=Cc5ccccc5N4[C@H](C(=O)Nc4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)c(C)c1 ZINC000247857511 572246606 /nfs/dbraw/zinc/24/66/06/572246606.db2.gz DGPYGWKOWBDUQU-CQJMVLFOSA-N 0 0 508.534 4.240 50 5 KIBARN Cc1ccc(N2C(=O)[C@H]3[C@H]4C=Cc5ccccc5N4[C@@H](C(=O)Nc4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)c(C)c1 ZINC000247857512 572246573 /nfs/dbraw/zinc/24/65/73/572246573.db2.gz DGPYGWKOWBDUQU-KEVKATSASA-N 0 0 508.534 4.240 50 5 KIBARN Cc1ccc(N2C(=O)[C@H]3[C@H]4C=Cc5ccccc5N4[C@H](C(=O)Nc4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)c(C)c1 ZINC000247857513 572246619 /nfs/dbraw/zinc/24/66/19/572246619.db2.gz DGPYGWKOWBDUQU-RSYZFUPGSA-N 0 0 508.534 4.240 50 5 KIBARN COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN21 ZINC000247881203 572248092 /nfs/dbraw/zinc/24/80/92/572248092.db2.gz JFFLXPGBKYMXLG-NGSHPTGOSA-N 0 0 544.951 4.411 50 5 KIBARN COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 ZINC000247881210 572247803 /nfs/dbraw/zinc/24/78/03/572247803.db2.gz JFFLXPGBKYMXLG-VPBXCIAMSA-N 0 0 544.951 4.411 50 5 KIBARN COc1ccc(C(=O)C2=C3C(O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3[C@H]3c4ccccc4C=CN23)cc1OC ZINC000247943529 572250198 /nfs/dbraw/zinc/25/01/98/572250198.db2.gz YAFODCKYICSUMH-POTDNYQPSA-N 0 0 525.517 4.010 50 5 KIBARN COc1ccc(C(=O)C2=C3C(O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3[C@@H]3c4ccccc4C=CN23)cc1OC ZINC000247943536 572250177 /nfs/dbraw/zinc/25/01/77/572250177.db2.gz YAFODCKYICSUMH-XPGKHFPBSA-N 0 0 525.517 4.010 50 5 KIBARN CN1O[C@H](CNC(=O)C2CCN(c3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C[C@H]1c1ccccc1 ZINC000248032557 572252728 /nfs/dbraw/zinc/25/27/28/572252728.db2.gz IJGWXJYKPWJGNX-OALUTQOASA-N 0 0 537.495 4.231 50 5 KIBARN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc4c(c3)OCO4)N3C=Cc4ccccc4[C@H]23)C1O ZINC000248112439 572253825 /nfs/dbraw/zinc/25/38/25/572253825.db2.gz OGDFZUCTTIDXJD-BKKFENPESA-N 0 0 523.501 4.030 50 5 KIBARN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc4c(c3)OCO4)N3C=Cc4ccccc4[C@@H]23)C1O ZINC000248112441 572253671 /nfs/dbraw/zinc/25/36/71/572253671.db2.gz OGDFZUCTTIDXJD-ROXDYWFKSA-N 0 0 523.501 4.030 50 5 KIBARN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C(=C(C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]23)C1O ZINC000248113666 572253829 /nfs/dbraw/zinc/25/38/29/572253829.db2.gz OPHQUYPJAKIGPB-FQUZAXHOSA-N 0 0 524.489 4.210 50 5 KIBARN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C(=C(C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@H]23)C1O ZINC000248113668 572253755 /nfs/dbraw/zinc/25/37/55/572253755.db2.gz OPHQUYPJAKIGPB-ZYQDXHPFSA-N 0 0 524.489 4.210 50 5 KIBARN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)N3C=Cc4ccccc4[C@H]3[C@H]2C1=O ZINC000248120371 572254000 /nfs/dbraw/zinc/25/40/00/572254000.db2.gz DQHRRIALCJSXKU-FQUZAXHOSA-N 0 0 544.951 4.411 50 5 KIBARN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)N3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000248120375 572254094 /nfs/dbraw/zinc/25/40/94/572254094.db2.gz DQHRRIALCJSXKU-ZYQDXHPFSA-N 0 0 544.951 4.411 50 5 KIBARN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(Cl)cc3)N3N=Cc4ccccc4[C@H]23)C1O ZINC000248123916 572254318 /nfs/dbraw/zinc/25/43/18/572254318.db2.gz SYGWZMRGVYPKEI-OLKYXYMISA-N 0 0 514.925 4.318 50 5 KIBARN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(Cl)cc3)N3N=Cc4ccccc4[C@@H]23)C1O ZINC000248123920 572254241 /nfs/dbraw/zinc/25/42/41/572254241.db2.gz SYGWZMRGVYPKEI-UARRHKHWSA-N 0 0 514.925 4.318 50 5 KIBARN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C(=C(C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]23)C1O ZINC000248133451 572254782 /nfs/dbraw/zinc/25/47/82/572254782.db2.gz YDJOMMZUXPHZHJ-FQUZAXHOSA-N 0 0 524.489 4.210 50 5 KIBARN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C(=C(C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@H]23)C1O ZINC000248133453 572254786 /nfs/dbraw/zinc/25/47/86/572254786.db2.gz YDJOMMZUXPHZHJ-ZYQDXHPFSA-N 0 0 524.489 4.210 50 5 KIBARN COc1ccc(C(=O)C2=C3C(O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@H]3[C@H]3c4ccccc4C=CN23)cc1 ZINC000248135114 572254995 /nfs/dbraw/zinc/25/49/95/572254995.db2.gz MQWAIZJUSZVKJB-POTDNYQPSA-N 0 0 525.517 4.010 50 5 KIBARN COc1ccc(C(=O)C2=C3C(O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@H]3[C@@H]3c4ccccc4C=CN23)cc1 ZINC000248135123 572254866 /nfs/dbraw/zinc/25/48/66/572254866.db2.gz MQWAIZJUSZVKJB-XPGKHFPBSA-N 0 0 525.517 4.010 50 5 KIBARN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(Cl)cc3)N3N=Cc4ccccc4[C@H]23)C1O ZINC000248140437 572255235 /nfs/dbraw/zinc/25/52/35/572255235.db2.gz PMDRROAUXZSIKJ-OLKYXYMISA-N 0 0 530.924 4.018 50 5 KIBARN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(Cl)cc3)N3N=Cc4ccccc4[C@@H]23)C1O ZINC000248140440 572255276 /nfs/dbraw/zinc/25/52/76/572255276.db2.gz PMDRROAUXZSIKJ-UARRHKHWSA-N 0 0 530.924 4.018 50 5 KIBARN COc1ccc(N2C(=O)[C@H]3[C@H](C(=O)Nc4ccc(Cl)c([N+](=O)[O-])c4)N4C=Cc5ccccc5[C@H]4[C@H]3C2=O)cc1 ZINC000248143081 572255408 /nfs/dbraw/zinc/25/54/08/572255408.db2.gz QXBJMINUKGUESN-FQUZAXHOSA-N 0 0 544.951 4.411 50 5 KIBARN COc1ccccc1N1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@H]3[C@H]2C1=O ZINC000248144002 572255383 /nfs/dbraw/zinc/25/53/83/572255383.db2.gz RNFZWLJSTLRXID-FQUZAXHOSA-N 0 0 544.951 4.411 50 5 KIBARN CCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]2[C@H]2C=Cc3c4ccccc4ccc3N21 ZINC000248240516 572256917 /nfs/dbraw/zinc/25/69/17/572256917.db2.gz BGGHYNLSYCAQES-ONTLXTELSA-N 0 0 517.925 4.354 50 5 KIBARN CCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]2[C@@H]2C=Cc3c4ccccc4ccc3N21 ZINC000248240518 572256918 /nfs/dbraw/zinc/25/69/18/572256918.db2.gz BGGHYNLSYCAQES-XGAJZPNHSA-N 0 0 517.925 4.354 50 5 KIBARN CCOC(=O)c1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc([N+](=O)[O-])cc4)N4C=Cc5ccccc5[C@@H]34)C2O)cc1 ZINC000248289461 572257730 /nfs/dbraw/zinc/25/77/30/572257730.db2.gz JNQMUKCDYNLRIY-ROXDYWFKSA-N 0 0 537.528 4.170 50 5 KIBARN CC(=O)c1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc([N+](=O)[O-])cc4)N4C=Cc5ccccc5[C@H]34)C2O)cc1 ZINC000248378182 572258515 /nfs/dbraw/zinc/25/85/15/572258515.db2.gz IUTWYLKQEPPCIC-BKKFENPESA-N 0 0 507.502 4.196 50 5 KIBARN CC(=O)c1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc([N+](=O)[O-])cc4)N4C=Cc5ccccc5[C@@H]34)C2O)cc1 ZINC000248378183 572258593 /nfs/dbraw/zinc/25/85/93/572258593.db2.gz IUTWYLKQEPPCIC-ROXDYWFKSA-N 0 0 507.502 4.196 50 5 KIBARN CC(=O)c1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4cccc([N+](=O)[O-])c4)N4C=Cc5ccccc5[C@H]34)C2O)cc1 ZINC000248381835 572258727 /nfs/dbraw/zinc/25/87/27/572258727.db2.gz VEJLLEOZYHEJOX-BKKFENPESA-N 0 0 507.502 4.196 50 5 KIBARN CC(=O)c1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4cccc([N+](=O)[O-])c4)N4C=Cc5ccccc5[C@@H]34)C2O)cc1 ZINC000248381836 572258780 /nfs/dbraw/zinc/25/87/80/572258780.db2.gz VEJLLEOZYHEJOX-ROXDYWFKSA-N 0 0 507.502 4.196 50 5 KIBARN CC(=O)c1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4cccc([N+](=O)[O-])c4)N4c5ccccc5C=C[C@@H]34)C2O)cc1 ZINC000248383111 572258685 /nfs/dbraw/zinc/25/86/85/572258685.db2.gz ZGETZZNNHXRIDU-ASDGIDEWSA-N 0 0 507.502 4.070 50 5 KIBARN CC(=O)c1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4cccc([N+](=O)[O-])c4)N4c5ccccc5C=C[C@@H]34)C2O)cc1 ZINC000248383112 572258710 /nfs/dbraw/zinc/25/87/10/572258710.db2.gz ZGETZZNNHXRIDU-CQJMVLFOSA-N 0 0 507.502 4.070 50 5 KIBARN CC(=O)c1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4cccc([N+](=O)[O-])c4)N4c5ccccc5C=C[C@H]34)C2O)cc1 ZINC000248383113 572258663 /nfs/dbraw/zinc/25/86/63/572258663.db2.gz ZGETZZNNHXRIDU-KEVKATSASA-N 0 0 507.502 4.070 50 5 KIBARN CC(=O)c1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4cccc([N+](=O)[O-])c4)N4c5ccccc5C=C[C@H]34)C2O)cc1 ZINC000248383114 572258686 /nfs/dbraw/zinc/25/86/86/572258686.db2.gz ZGETZZNNHXRIDU-RSYZFUPGSA-N 0 0 507.502 4.070 50 5 KIBARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(COc4cc([N+](=O)[O-])ccc4F)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000252666531 572273297 /nfs/dbraw/zinc/27/32/97/572273297.db2.gz BUDGQLDEOCKMOC-RUZDIDTESA-N 0 0 563.563 4.018 50 5 KIBARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(COc4cc([N+](=O)[O-])ccc4F)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000252666532 572273241 /nfs/dbraw/zinc/27/32/41/572273241.db2.gz BUDGQLDEOCKMOC-VWLOTQADSA-N 0 0 563.563 4.018 50 5 KIBARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000252667139 572273652 /nfs/dbraw/zinc/27/36/52/572273652.db2.gz CUKYSVSCQFJCKC-HKBQPEDESA-N 0 0 640.718 4.079 50 5 KIBARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000252667140 572273650 /nfs/dbraw/zinc/27/36/50/572273650.db2.gz CUKYSVSCQFJCKC-WJOKGBTCSA-N 0 0 640.718 4.079 50 5 KIBARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(OCc4ccccc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000252667460 572273702 /nfs/dbraw/zinc/27/37/02/572273702.db2.gz DDVYITMRRONZMK-HHHXNRCGSA-N 0 0 555.612 4.286 50 5 KIBARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(OCc4ccccc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1 ZINC000252667461 572273719 /nfs/dbraw/zinc/27/37/19/572273719.db2.gz DDVYITMRRONZMK-MHZLTWQESA-N 0 0 555.612 4.286 50 5 KIBARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3N3CCCC3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000252668957 572274323 /nfs/dbraw/zinc/27/43/23/572274323.db2.gz GAMUWOGQSKKRLM-AREMUKBSSA-N 0 0 657.543 4.086 50 5 KIBARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3N3CCCC3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000252668958 572274347 /nfs/dbraw/zinc/27/43/47/572274347.db2.gz GAMUWOGQSKKRLM-SANMLTNESA-N 0 0 657.543 4.086 50 5 KIBARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000252669291 572274776 /nfs/dbraw/zinc/27/47/76/572274776.db2.gz HBMRHWPAOVJWLV-RUZDIDTESA-N 0 0 529.574 4.275 50 5 KIBARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000252669292 572274757 /nfs/dbraw/zinc/27/47/57/572274757.db2.gz HBMRHWPAOVJWLV-VWLOTQADSA-N 0 0 529.574 4.275 50 5 KIBARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Cl)cc3Cl)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000252669625 572275119 /nfs/dbraw/zinc/27/51/19/572275119.db2.gz IDCUHTKXGBPBGB-FQEVSTJZSA-N 0 0 518.378 4.013 50 5 KIBARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Cl)cc3Cl)c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000252669626 572275116 /nfs/dbraw/zinc/27/51/16/572275116.db2.gz IDCUHTKXGBPBGB-HXUWFJFHSA-N 0 0 518.378 4.013 50 5 KIBARN COC(=O)C1=C(C)N=c2sc(=Cc3ccc(COc4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1 ZINC000252669782 572275335 /nfs/dbraw/zinc/27/53/35/572275335.db2.gz IRHPQUDXOPUWSS-DEOSSOPVSA-N 0 0 565.991 4.142 50 5 KIBARN COC(=O)C1=C(C)N=c2sc(=Cc3ccc(COc4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000252669783 572275318 /nfs/dbraw/zinc/27/53/18/572275318.db2.gz IRHPQUDXOPUWSS-XMMPIXPASA-N 0 0 565.991 4.142 50 5 KIBARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3N3CCCCC3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000252670541 572276162 /nfs/dbraw/zinc/27/61/62/572276162.db2.gz KYGGDJQAMCHPBI-HHHXNRCGSA-N 0 0 671.570 4.477 50 5 KIBARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3N3CCCCC3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000252670542 572276156 /nfs/dbraw/zinc/27/61/56/572276156.db2.gz KYGGDJQAMCHPBI-MHZLTWQESA-N 0 0 671.570 4.477 50 5 KIBARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3N3CCCC3)c(=O)n2[C@@H]1c1ccccc1 ZINC000252670675 572276242 /nfs/dbraw/zinc/27/62/42/572276242.db2.gz LJHOEWQCXXEJTQ-GDLZYMKVSA-N 0 0 580.666 4.444 50 5 KIBARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3N3CCCC3)c(=O)n2[C@H]1c1ccccc1 ZINC000252670676 572276258 /nfs/dbraw/zinc/27/62/58/572276258.db2.gz LJHOEWQCXXEJTQ-LJAQVGFWSA-N 0 0 580.666 4.444 50 5 KIBARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3N3CCCCC3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000252671510 572276866 /nfs/dbraw/zinc/27/68/66/572276866.db2.gz NJVAMEOSYQSKIV-AREMUKBSSA-N 0 0 578.716 4.419 50 5 KIBARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3N3CCCCC3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000252671511 572276810 /nfs/dbraw/zinc/27/68/10/572276810.db2.gz NJVAMEOSYQSKIV-SANMLTNESA-N 0 0 578.716 4.419 50 5 KIBARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000252671916 572277285 /nfs/dbraw/zinc/27/72/85/572277285.db2.gz OPCJDXIGWJTKLE-GDLZYMKVSA-N 0 0 615.664 4.303 50 5 KIBARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000252671917 572277297 /nfs/dbraw/zinc/27/72/97/572277297.db2.gz OPCJDXIGWJTKLE-LJAQVGFWSA-N 0 0 615.664 4.303 50 5 KIBARN O=c1c(=Cc2cc3c(cc2[N+](=O)[O-])OCO3)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000252672057 572277520 /nfs/dbraw/zinc/27/75/20/572277520.db2.gz PBINIDUOUICDHZ-DEOSSOPVSA-N 0 0 515.572 4.017 50 5 KIBARN O=c1c(=Cc2cc3c(cc2[N+](=O)[O-])OCO3)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000252672058 572277530 /nfs/dbraw/zinc/27/75/30/572277530.db2.gz PBINIDUOUICDHZ-XMMPIXPASA-N 0 0 515.572 4.017 50 5 KIBARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000252672286 572277734 /nfs/dbraw/zinc/27/77/34/572277734.db2.gz PVCNLAUHUHDBSE-RUZDIDTESA-N 0 0 563.563 4.114 50 5 KIBARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000252672287 572277748 /nfs/dbraw/zinc/27/77/48/572277748.db2.gz PVCNLAUHUHDBSE-VWLOTQADSA-N 0 0 563.563 4.114 50 5 KIBARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Cl)c(Cl)c3)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000252672370 572277822 /nfs/dbraw/zinc/27/78/22/572277822.db2.gz QANTZUBOBNWZKL-FQEVSTJZSA-N 0 0 518.378 4.013 50 5 KIBARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Cl)c(Cl)c3)c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000252672371 572277841 /nfs/dbraw/zinc/27/78/41/572277841.db2.gz QANTZUBOBNWZKL-HXUWFJFHSA-N 0 0 518.378 4.013 50 5 KIBARN COC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000252672712 572277950 /nfs/dbraw/zinc/27/79/50/572277950.db2.gz QIYCBFFNQUZHQR-HSZRJFAPSA-N 0 0 535.965 4.230 50 5 KIBARN COC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000252672713 572277940 /nfs/dbraw/zinc/27/79/40/572277940.db2.gz QIYCBFFNQUZHQR-QHCPKHFHSA-N 0 0 535.965 4.230 50 5 KIBARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000252673368 572278262 /nfs/dbraw/zinc/27/82/62/572278262.db2.gz RCCYUNGZVQUDLB-HHHXNRCGSA-N 0 0 555.612 4.286 50 5 KIBARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000252673369 572278250 /nfs/dbraw/zinc/27/82/50/572278250.db2.gz RCCYUNGZVQUDLB-MHZLTWQESA-N 0 0 555.612 4.286 50 5 KIBARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCc4ccccc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000252675599 572279350 /nfs/dbraw/zinc/27/93/50/572279350.db2.gz UMDHZCLMEYDAPI-MUUNZHRXSA-N 0 0 585.638 4.294 50 5 KIBARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCc4ccccc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000252675600 572279277 /nfs/dbraw/zinc/27/92/77/572279277.db2.gz UMDHZCLMEYDAPI-NDEPHWFRSA-N 0 0 585.638 4.294 50 5 KIBARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c(=O)c(=Cc3ccc([N+](=O)[O-])o3)sc2=N1 ZINC000252676276 572279946 /nfs/dbraw/zinc/27/99/46/572279946.db2.gz WPEFWBNGSJTUME-JOCHJYFZSA-N 0 0 520.954 4.029 50 5 KIBARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2c(=O)c(=Cc3ccc([N+](=O)[O-])o3)sc2=N1 ZINC000252676277 572280007 /nfs/dbraw/zinc/28/00/07/572280007.db2.gz WPEFWBNGSJTUME-QFIPXVFZSA-N 0 0 520.954 4.029 50 5 KIBARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCc4ccccc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000252676438 572280186 /nfs/dbraw/zinc/28/01/86/572280186.db2.gz XBVFMZIGEXMOGU-HHHXNRCGSA-N 0 0 555.612 4.286 50 5 KIBARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCc4ccccc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000252676439 572280204 /nfs/dbraw/zinc/28/02/04/572280204.db2.gz XBVFMZIGEXMOGU-MHZLTWQESA-N 0 0 555.612 4.286 50 5 KIBARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(OCc4ccccc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000252677197 572280641 /nfs/dbraw/zinc/28/06/41/572280641.db2.gz YFNXYBUWXMYLSY-MUUNZHRXSA-N 0 0 585.638 4.294 50 5 KIBARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(OCc4ccccc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000252677200 572280635 /nfs/dbraw/zinc/28/06/35/572280635.db2.gz YFNXYBUWXMYLSY-NDEPHWFRSA-N 0 0 585.638 4.294 50 5 KIBARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000252677451 572280771 /nfs/dbraw/zinc/28/07/71/572280771.db2.gz YUIZUAVGNNIZDO-RUZDIDTESA-N 0 0 547.564 4.414 50 5 KIBARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000252677452 572280762 /nfs/dbraw/zinc/28/07/62/572280762.db2.gz YUIZUAVGNNIZDO-VWLOTQADSA-N 0 0 547.564 4.414 50 5 KIBARN O=c1c(=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc2nc3cc(Br)cnc3n12 ZINC000252677474 572280859 /nfs/dbraw/zinc/28/08/59/572280859.db2.gz YWKVKQOOUCFVKC-UHFFFAOYSA-N 0 0 503.721 4.436 50 5 KIBARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000252677553 572280873 /nfs/dbraw/zinc/28/08/73/572280873.db2.gz ZCMHPYCETDWTPB-AREMUKBSSA-N 0 0 573.583 4.004 50 5 KIBARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000252677554 572280865 /nfs/dbraw/zinc/28/08/65/572280865.db2.gz ZCMHPYCETDWTPB-SANMLTNESA-N 0 0 573.583 4.004 50 5 KIBARN COC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000252677566 572280959 /nfs/dbraw/zinc/28/09/59/572280959.db2.gz ZDUQXBAPFWDRCS-HSZRJFAPSA-N 0 0 535.965 4.230 50 5 KIBARN COC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000252677567 572280971 /nfs/dbraw/zinc/28/09/71/572280971.db2.gz ZDUQXBAPFWDRCS-QHCPKHFHSA-N 0 0 535.965 4.230 50 5 KIBARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000252677613 572281016 /nfs/dbraw/zinc/28/10/16/572281016.db2.gz ZHKHYCCEVOIRRU-HHHXNRCGSA-N 0 0 616.608 4.416 50 5 KIBARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000252677614 572280973 /nfs/dbraw/zinc/28/09/73/572280973.db2.gz ZHKHYCCEVOIRRU-MHZLTWQESA-N 0 0 616.608 4.416 50 5 KIBARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000252677652 572280961 /nfs/dbraw/zinc/28/09/61/572280961.db2.gz ZLAFFWHMZKTOCM-RUZDIDTESA-N 0 0 594.001 4.349 50 5 KIBARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000252677653 572280944 /nfs/dbraw/zinc/28/09/44/572280944.db2.gz ZLAFFWHMZKTOCM-VWLOTQADSA-N 0 0 594.001 4.349 50 5 KIBARN C[C@H]1CN(C(=O)CN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000253388971 572283215 /nfs/dbraw/zinc/28/32/15/572283215.db2.gz JHUDWIZQKDZMOT-HFJWLAOPSA-N 0 0 522.602 4.116 50 5 KIBARN C[C@H]1CN(C(=O)CN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000253388987 572283149 /nfs/dbraw/zinc/28/31/49/572283149.db2.gz PFYMMPAQDXQOMJ-HFJWLAOPSA-N 0 0 522.602 4.116 50 5 KIBARN CO[C@@H]1O[C@]23CC[C@@]4(O)C[C@@H](OC(=O)c5cc([N+](=O)[O-])cc([N+](=O)[O-])c5)CC[C@]14[C@@H]2CC[C@@]1(C)[C@H](C2=CC(=O)OC2)CC[C@@H]13 ZINC000254349409 572302396 /nfs/dbraw/zinc/30/23/96/572302396.db2.gz LVPSFFFJUAEDQD-CLXVKAAYSA-N 0 0 612.632 4.391 50 5 KIBARN CO[C@@H]1O[C@]23CC[C@@]4(O)C[C@@H](OC(=O)c5cc([N+](=O)[O-])cc([N+](=O)[O-])c5)CC[C@]14[C@@H]2CC[C@]1(C)[C@H](C2=CC(=O)OC2)CC[C@@H]13 ZINC000254349418 572302425 /nfs/dbraw/zinc/30/24/25/572302425.db2.gz LVPSFFFJUAEDQD-UFJATEOPSA-N 0 0 612.632 4.391 50 5 KIBARN CO[C@H]1O[C@]23CC[C@@]4(O)C[C@@H](OC(=O)c5cc([N+](=O)[O-])cc([N+](=O)[O-])c5)CC[C@]14[C@@H]2CC[C@@]1(C)[C@H](C2=CC(=O)OC2)CC[C@@H]13 ZINC000254349422 572302395 /nfs/dbraw/zinc/30/23/95/572302395.db2.gz LVPSFFFJUAEDQD-UXHBMNASSA-N 0 0 612.632 4.391 50 5 KIBARN CCOC(=O)CNC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@@H](CCC(=O)OC)n1cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c1 ZINC000261491874 572110269 /nfs/dbraw/zinc/11/02/69/572110269.db2.gz CVWIWHGFYQQPTO-FQLXRVMXSA-N 0 0 759.794 4.048 50 5 KIBARN CCOC(=O)CNC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@@H](CCC(=O)OC)n1cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c1 ZINC000261491875 572110428 /nfs/dbraw/zinc/11/04/28/572110428.db2.gz CVWIWHGFYQQPTO-URLMMPGGSA-N 0 0 759.794 4.048 50 5 KIBARN CCOC(=O)CNC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@H](CCC(=O)OC)n1cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c1 ZINC000261491876 572110414 /nfs/dbraw/zinc/11/04/14/572110414.db2.gz CVWIWHGFYQQPTO-VMPREFPWSA-N 0 0 759.794 4.048 50 5 KIBARN CCOC(=O)CNC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@H](CCC(=O)OC)n1cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c1 ZINC000261491877 572110484 /nfs/dbraw/zinc/11/04/84/572110484.db2.gz CVWIWHGFYQQPTO-WDYNHAJCSA-N 0 0 759.794 4.048 50 5 KIBARN COc1cc2ccc3c(CCN(C)C(=O)c4ccc(C)n(C)c4=O)cc(OC)c(OC)c3c2cc1OC ZINC000263585193 572116960 /nfs/dbraw/zinc/11/69/60/572116960.db2.gz GDOUJOZQDMLSRM-UHFFFAOYSA-N 0 0 504.583 4.349 50 5 KIBARN Cc1ccc(S(=O)(=O)c2c(N)n(CCCOC(=O)c3cccc([N+](=O)[O-])c3)c3nc4ccccc4nc32)cc1 ZINC000334158432 572153380 /nfs/dbraw/zinc/15/33/80/572153380.db2.gz NSROYCZIYIIIFI-UHFFFAOYSA-N 0 0 545.577 4.245 50 5 KIBARN Cc1ccc(S(=O)(=O)c2c(N)n(CCCOC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c3nc4ccccc4nc32)cc1 ZINC000334158638 572153550 /nfs/dbraw/zinc/15/35/50/572153550.db2.gz YMSHVSLTPQPWCI-UHFFFAOYSA-N 0 0 590.574 4.153 50 5 KIBARN Cc1oc2c(cc3c(C)c(CCC(=O)N4C[C@H]5C[C@@H](C4)Cn4c5ccc([N+](=O)[O-])c4=O)c(=O)oc3c2C)c1C ZINC000409413293 1064277329 /nfs/dbraw/zinc/27/73/29/1064277329.db2.gz JHAAQYFQQIAMHE-RBUKOAKNSA-N 0 0 531.565 4.421 50 5 KIBARN