smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2c(c1C)NC(=O)[C@@]21C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2CCC[N@H+]21 ZINC000002334522 552096877 /nfs/dbraw/zinc/09/68/77/552096877.db2.gz NGFOLCMPKJGNRL-TXMPGWIESA-N 1 1 522.561 4.226 50 5 KIBAMO CC[NH+](CC)Cc1cc(NC2=NS(=O)(=O)c3ccccc32)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000009601125 553286412 /nfs/dbraw/zinc/28/64/12/553286412.db2.gz LYMPDDGLSQRYQH-UHFFFAOYSA-N 1 1 508.556 4.217 50 5 KIBAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12 ZINC000009860268 553313905 /nfs/dbraw/zinc/31/39/05/553313905.db2.gz JEVUGXBXHKECDP-OYRHEFFESA-N 1 1 510.646 4.294 50 5 KIBAMO CCOCCC[N@@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000015936391 553542803 /nfs/dbraw/zinc/54/28/03/553542803.db2.gz SQXFLZJKENBNNG-UHFFFAOYSA-N 1 1 522.602 4.485 50 5 KIBAMO CCOCCC[N@@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000015936395 553542778 /nfs/dbraw/zinc/54/27/78/553542778.db2.gz ZJHVQCSHVAQZGC-UHFFFAOYSA-N 1 1 522.602 4.485 50 5 KIBAMO Cc1ccc2c(c1C)NC(=O)[C@]21C(C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCC[N@H+]21 ZINC000016012234 553550742 /nfs/dbraw/zinc/55/07/42/553550742.db2.gz NGFOLCMPKJGNRL-FKPFRUIKSA-N 1 1 522.561 4.226 50 5 KIBAMO Cc1ccc2c(c1C)NC(=O)[C@@]21C(C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCC[N@H+]21 ZINC000016012236 553550759 /nfs/dbraw/zinc/55/07/59/553550759.db2.gz NGFOLCMPKJGNRL-LZJHYZMMSA-N 1 1 522.561 4.226 50 5 KIBAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]12C(=O)Nc1ccccc12 ZINC000016021864 553551162 /nfs/dbraw/zinc/55/11/62/553551162.db2.gz LHMBYHDQQLQZIV-VMGOQZOXSA-N 1 1 522.561 4.172 50 5 KIBAMO CCOC(=O)c1c2c(sc1NC(=O)c1cc([N+](=O)[O-])ccc1NCCC[NH+]1CCOCC1)CCCC2 ZINC000020057743 553671094 /nfs/dbraw/zinc/67/10/94/553671094.db2.gz TWNKFOVTXYCXAA-UHFFFAOYSA-N 1 1 516.620 4.098 50 5 KIBAMO COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000021992079 553722607 /nfs/dbraw/zinc/72/26/07/553722607.db2.gz QZVNQOLPLYWLHQ-JYFHCDHNSA-N 1 1 505.571 4.210 50 5 in-vitro KIBAMO COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000031284167 553861173 /nfs/dbraw/zinc/86/11/73/553861173.db2.gz QZVNQOLPLYWLHQ-BVAGGSTKSA-N 1 1 505.571 4.210 50 5 in-man KIBAMO CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)C[NH2+]C2CCN(Cc3ccccc3)CC2)cc1 ZINC000033356122 553939380 /nfs/dbraw/zinc/93/93/80/553939380.db2.gz MXFQTFJWHIBMGA-UHFFFAOYSA-N 1 1 559.623 4.217 50 5 KIBAMO COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000033905880 553976294 /nfs/dbraw/zinc/97/62/94/553976294.db2.gz QZVNQOLPLYWLHQ-OZXSUGGESA-N 1 1 505.571 4.210 50 5 in-vitro KIBAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000034787934 554005433 /nfs/dbraw/zinc/00/54/33/554005433.db2.gz VQCJYDQMOOXHMG-HHHXNRCGSA-N 1 1 518.639 4.287 50 5 KIBAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000034787934 554005430 /nfs/dbraw/zinc/00/54/30/554005430.db2.gz VQCJYDQMOOXHMG-HHHXNRCGSA-N 1 1 518.639 4.287 50 5 KIBAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000034787937 554005418 /nfs/dbraw/zinc/00/54/18/554005418.db2.gz VQCJYDQMOOXHMG-MHZLTWQESA-N 1 1 518.639 4.287 50 5 KIBAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000034787937 554005416 /nfs/dbraw/zinc/00/54/16/554005416.db2.gz VQCJYDQMOOXHMG-MHZLTWQESA-N 1 1 518.639 4.287 50 5 KIBAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000034787940 554005310 /nfs/dbraw/zinc/00/53/10/554005310.db2.gz LQHRWJSOKWUUMI-HHHXNRCGSA-N 1 1 518.639 4.287 50 5 KIBAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000034787940 554005307 /nfs/dbraw/zinc/00/53/07/554005307.db2.gz LQHRWJSOKWUUMI-HHHXNRCGSA-N 1 1 518.639 4.287 50 5 KIBAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000034787943 554005216 /nfs/dbraw/zinc/00/52/16/554005216.db2.gz LQHRWJSOKWUUMI-MHZLTWQESA-N 1 1 518.639 4.287 50 5 KIBAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000034787943 554005210 /nfs/dbraw/zinc/00/52/10/554005210.db2.gz LQHRWJSOKWUUMI-MHZLTWQESA-N 1 1 518.639 4.287 50 5 KIBAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H](C)C2)cc1 ZINC000034829718 554012513 /nfs/dbraw/zinc/01/25/13/554012513.db2.gz PNACUEODDDPQLK-NFQMXDRXSA-N 1 1 518.639 4.285 50 5 KIBAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H](C)C2)cc1 ZINC000034829718 554012511 /nfs/dbraw/zinc/01/25/11/554012511.db2.gz PNACUEODDDPQLK-NFQMXDRXSA-N 1 1 518.639 4.285 50 5 KIBAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H](C)C2)cc1 ZINC000034829719 554012717 /nfs/dbraw/zinc/01/27/17/554012717.db2.gz PNACUEODDDPQLK-HRFSGMKKSA-N 1 1 518.639 4.285 50 5 KIBAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H](C)C2)cc1 ZINC000034829719 554012713 /nfs/dbraw/zinc/01/27/13/554012713.db2.gz PNACUEODDDPQLK-HRFSGMKKSA-N 1 1 518.639 4.285 50 5 KIBAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@H](C)C2)cc1 ZINC000034829720 554012644 /nfs/dbraw/zinc/01/26/44/554012644.db2.gz QQWIDZSQXFREFM-NFQMXDRXSA-N 1 1 518.639 4.285 50 5 KIBAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@H](C)C2)cc1 ZINC000034829720 554012641 /nfs/dbraw/zinc/01/26/41/554012641.db2.gz QQWIDZSQXFREFM-NFQMXDRXSA-N 1 1 518.639 4.285 50 5 KIBAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@H](C)C2)cc1 ZINC000034829721 554012576 /nfs/dbraw/zinc/01/25/76/554012576.db2.gz QQWIDZSQXFREFM-HRFSGMKKSA-N 1 1 518.639 4.285 50 5 KIBAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@H](C)C2)cc1 ZINC000034829721 554012573 /nfs/dbraw/zinc/01/25/73/554012573.db2.gz QQWIDZSQXFREFM-HRFSGMKKSA-N 1 1 518.639 4.285 50 5 KIBAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000034829802 554012920 /nfs/dbraw/zinc/01/29/20/554012920.db2.gz DQCUEAMQQWIAIZ-NFQMXDRXSA-N 1 1 518.639 4.285 50 5 KIBAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000034829802 554012915 /nfs/dbraw/zinc/01/29/15/554012915.db2.gz DQCUEAMQQWIAIZ-NFQMXDRXSA-N 1 1 518.639 4.285 50 5 KIBAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000034829803 554013056 /nfs/dbraw/zinc/01/30/56/554013056.db2.gz DQCUEAMQQWIAIZ-HRFSGMKKSA-N 1 1 518.639 4.285 50 5 KIBAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000034829803 554013052 /nfs/dbraw/zinc/01/30/52/554013052.db2.gz DQCUEAMQQWIAIZ-HRFSGMKKSA-N 1 1 518.639 4.285 50 5 KIBAMO O=C(CC[N@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000034830042 554014027 /nfs/dbraw/zinc/01/40/27/554014027.db2.gz SRKRABJJJAPPLL-HHHXNRCGSA-N 1 1 518.639 4.369 50 5 KIBAMO O=C(CC[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000034830043 554013858 /nfs/dbraw/zinc/01/38/58/554013858.db2.gz SRKRABJJJAPPLL-MHZLTWQESA-N 1 1 518.639 4.369 50 5 KIBAMO O=C(CC[N@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000034830044 554014068 /nfs/dbraw/zinc/01/40/68/554014068.db2.gz DPWRJWFIUGHNHT-HHHXNRCGSA-N 1 1 518.639 4.369 50 5 KIBAMO O=C(CC[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000034830045 554013870 /nfs/dbraw/zinc/01/38/70/554013870.db2.gz DPWRJWFIUGHNHT-MHZLTWQESA-N 1 1 518.639 4.369 50 5 KIBAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000034830192 554014920 /nfs/dbraw/zinc/01/49/20/554014920.db2.gz RQTVPCIPEPTCNX-HHHXNRCGSA-N 1 1 518.639 4.287 50 5 KIBAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000034830193 554014795 /nfs/dbraw/zinc/01/47/95/554014795.db2.gz RQTVPCIPEPTCNX-MHZLTWQESA-N 1 1 518.639 4.287 50 5 KIBAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000034830194 554014964 /nfs/dbraw/zinc/01/49/64/554014964.db2.gz IZGIQCLEGZFUEV-HHHXNRCGSA-N 1 1 518.639 4.287 50 5 KIBAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000034830195 554014973 /nfs/dbraw/zinc/01/49/73/554014973.db2.gz IZGIQCLEGZFUEV-MHZLTWQESA-N 1 1 518.639 4.287 50 5 KIBAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000034830306 554015357 /nfs/dbraw/zinc/01/53/57/554015357.db2.gz RKBGVMYEYMQBGR-RXFWQSSRSA-N 1 1 518.639 4.285 50 5 KIBAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000034830307 554015345 /nfs/dbraw/zinc/01/53/45/554015345.db2.gz RKBGVMYEYMQBGR-FNZWTVRRSA-N 1 1 518.639 4.285 50 5 KIBAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000034830308 554015227 /nfs/dbraw/zinc/01/52/27/554015227.db2.gz AYMWSOYDOGVUDG-RXFWQSSRSA-N 1 1 518.639 4.285 50 5 KIBAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000034830309 554015244 /nfs/dbraw/zinc/01/52/44/554015244.db2.gz AYMWSOYDOGVUDG-FNZWTVRRSA-N 1 1 518.639 4.285 50 5 KIBAMO O=C(CC[N@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000034830454 554016181 /nfs/dbraw/zinc/01/61/81/554016181.db2.gz IYOKQFXTRGONCT-AREMUKBSSA-N 1 1 522.602 4.118 50 5 KIBAMO O=C(CC[N@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000034830455 554016278 /nfs/dbraw/zinc/01/62/78/554016278.db2.gz IYOKQFXTRGONCT-SANMLTNESA-N 1 1 522.602 4.118 50 5 KIBAMO O=C(CC[N@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000034830456 554016139 /nfs/dbraw/zinc/01/61/39/554016139.db2.gz WDASFGWZFCUQMS-AREMUKBSSA-N 1 1 522.602 4.118 50 5 KIBAMO O=C(CC[N@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000034830457 554016267 /nfs/dbraw/zinc/01/62/67/554016267.db2.gz WDASFGWZFCUQMS-SANMLTNESA-N 1 1 522.602 4.118 50 5 KIBAMO Cc1ccc2c(c1C)NC(=O)[C@@]21C(C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@H+]21 ZINC000035852009 554083880 /nfs/dbraw/zinc/08/38/80/554083880.db2.gz NGFOLCMPKJGNRL-UXBLOQAESA-N 1 1 522.561 4.226 50 5 KIBAMO O=C(NCCc1ccccc1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000035870350 554085333 /nfs/dbraw/zinc/08/53/33/554085333.db2.gz YTENJFBTRJIYDR-XNMGPUDCSA-N 1 1 505.018 4.470 50 5 KIBAMO O=C(NCCc1ccccc1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000035870351 554085453 /nfs/dbraw/zinc/08/54/53/554085453.db2.gz YTENJFBTRJIYDR-AHKZPQOWSA-N 1 1 505.018 4.470 50 5 KIBAMO COc1ccc(NC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccc(F)cc4)C[C@H]23)cc1OC ZINC000035870394 554085476 /nfs/dbraw/zinc/08/54/76/554085476.db2.gz ZAGSPZJLBJOUSG-ILBGXUMGSA-N 1 1 520.561 4.253 50 5 KIBAMO COc1ccc(NC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccc(F)cc4)C[C@H]23)cc1OC ZINC000035870395 554085415 /nfs/dbraw/zinc/08/54/15/554085415.db2.gz ZAGSPZJLBJOUSG-UKILVPOCSA-N 1 1 520.561 4.253 50 5 KIBAMO Cn1c(SCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000059749638 554427998 /nfs/dbraw/zinc/42/79/98/554427998.db2.gz MGYUMVLHFRZUEK-UHFFFAOYSA-N 1 1 528.638 4.416 50 5 KIBAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12 ZINC000064097931 554510772 /nfs/dbraw/zinc/51/07/72/554510772.db2.gz LHMBYHDQQLQZIV-LPKQAODOSA-N 1 1 522.561 4.172 50 5 KIBAMO O=C1c2cccc3cc([N+](=O)[O-])cc(c32)C(=O)N1CCCN1CC[NH+](CCCN2C(=O)c3cccc4cc([N+](=O)[O-])cc(c43)C2=O)CC1 ZINC000082170849 553674150 /nfs/dbraw/zinc/67/41/50/553674150.db2.gz OYNMPOBOWPMEKI-UHFFFAOYSA-N 1 1 650.648 4.099 50 5 KIBAMO O=C(c1cccc([N+](=O)[O-])c1)N(CCC[NH+]1CCOCC1)CCc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000098009773 554071026 /nfs/dbraw/zinc/07/10/26/554071026.db2.gz DAJNHFZZFZIOSR-UHFFFAOYSA-N 1 1 533.507 4.071 50 5 KIBAMO Cc1ccc(C(=O)N(CCC[NH+]2CCOCC2)CC(=O)N(Cc2ccco2)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000098017790 554110254 /nfs/dbraw/zinc/11/02/54/554110254.db2.gz RSIYSTLDOCNCRB-UHFFFAOYSA-N 1 1 552.603 4.029 50 5 KIBAMO COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000100014880 554181288 /nfs/dbraw/zinc/18/12/88/554181288.db2.gz QZVNQOLPLYWLHQ-ZEQKJWHPSA-N 1 1 505.571 4.210 50 5 world KIBAMO COc1ccc(CCNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccc(Cl)cc4)C[C@H]23)cc1 ZINC000101145425 554655929 /nfs/dbraw/zinc/65/59/29/554655929.db2.gz IAXSAEPYNUPFRD-IXCJQBJRSA-N 1 1 535.044 4.479 50 5 KIBAMO COc1ccc(CCNC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccc(Cl)cc4)C[C@H]23)cc1 ZINC000101145428 554655894 /nfs/dbraw/zinc/65/58/94/554655894.db2.gz IAXSAEPYNUPFRD-XTEPFMGCSA-N 1 1 535.044 4.479 50 5 KIBAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+]2CCC[C@H]2[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12 ZINC000101346990 554737663 /nfs/dbraw/zinc/73/76/63/554737663.db2.gz LHMBYHDQQLQZIV-DARZMLDPSA-N 1 1 522.561 4.172 50 5 KIBAMO COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)C[NH2+]C2CCN(Cc3ccccc3)CC2)c(OC)c1 ZINC000101349781 554738103 /nfs/dbraw/zinc/73/81/03/554738103.db2.gz BVMYZZPWRUTCMP-UHFFFAOYSA-N 1 1 547.612 4.057 50 5 KIBAMO O=C(CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12)N1CC[NH+](Cc2ccccc2)CC1 ZINC000101501479 554788750 /nfs/dbraw/zinc/78/87/50/554788750.db2.gz SHOFSAQGNYHCBC-UHFFFAOYSA-N 1 1 530.636 4.259 50 5 KIBAMO CC(C)C[C@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]12 ZINC000101509360 554792038 /nfs/dbraw/zinc/79/20/38/554792038.db2.gz IUTMDQGNVXQXJW-LUASENJMSA-N 1 1 570.005 4.328 50 5 KIBAMO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]12 ZINC000101509362 554792049 /nfs/dbraw/zinc/79/20/49/554792049.db2.gz IUTMDQGNVXQXJW-DIKZQZFXSA-N 1 1 570.005 4.328 50 5 KIBAMO CC(C)C[C@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]12 ZINC000101509363 554792067 /nfs/dbraw/zinc/79/20/67/554792067.db2.gz IUTMDQGNVXQXJW-RHRDVFBWSA-N 1 1 570.005 4.328 50 5 KIBAMO CC(C)C[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]12 ZINC000101509365 554792020 /nfs/dbraw/zinc/79/20/20/554792020.db2.gz IUTMDQGNVXQXJW-OBWDDDHRSA-N 1 1 570.005 4.328 50 5 KIBAMO C[NH+]1CCN(c2ccc(C(=O)N3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)cc2[N+](=O)[O-])CC1 ZINC000102898083 555138275 /nfs/dbraw/zinc/13/82/75/555138275.db2.gz URAZYDQEQVWTOD-UHFFFAOYSA-N 1 1 535.595 4.172 50 5 KIBAMO O=C(CN(CCC[NH+]1CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1)N(Cc1ccco1)Cc1ccc(F)cc1 ZINC000103040637 555225050 /nfs/dbraw/zinc/22/50/50/555225050.db2.gz GLQDEEREFQCYOD-UHFFFAOYSA-N 1 1 553.591 4.112 50 5 KIBAMO O=C(CC[N@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000103097653 555274861 /nfs/dbraw/zinc/27/48/61/555274861.db2.gz DWXADLHUJZCOOR-AREMUKBSSA-N 1 1 593.102 4.320 50 5 KIBAMO O=C(CC[N@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000103097657 555274790 /nfs/dbraw/zinc/27/47/90/555274790.db2.gz DWXADLHUJZCOOR-SANMLTNESA-N 1 1 593.102 4.320 50 5 KIBAMO COc1ccc(CCNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccc(Cl)cc4)C[C@H]23)cc1OC ZINC000103222909 555341036 /nfs/dbraw/zinc/34/10/36/555341036.db2.gz XAXDAYXQAOQYJC-XNMGPUDCSA-N 1 1 565.070 4.487 50 5 KIBAMO COc1ccc(CCNC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccc(Cl)cc4)C[C@H]23)cc1OC ZINC000103222914 555341151 /nfs/dbraw/zinc/34/11/51/555341151.db2.gz XAXDAYXQAOQYJC-AHKZPQOWSA-N 1 1 565.070 4.487 50 5 KIBAMO CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)N2C(CC(=O)N3CC[NH+](C)CC3)=CSC2=N1 ZINC000103274834 555349426 /nfs/dbraw/zinc/34/94/26/555349426.db2.gz AHJGCHZVWNVUIF-SANMLTNESA-N 1 1 547.637 4.077 50 5 KIBAMO CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N2C(CC(=O)N3CC[NH+](C)CC3)=CSC2=N1 ZINC000103274836 555349411 /nfs/dbraw/zinc/34/94/11/555349411.db2.gz AHJGCHZVWNVUIF-AREMUKBSSA-N 1 1 547.637 4.077 50 5 KIBAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000103368015 555366216 /nfs/dbraw/zinc/36/62/16/555366216.db2.gz YDCWHIJJWPXFOJ-XHCCPWGMSA-N 1 1 589.139 4.487 50 5 KIBAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000103368015 555366215 /nfs/dbraw/zinc/36/62/15/555366215.db2.gz YDCWHIJJWPXFOJ-XHCCPWGMSA-N 1 1 589.139 4.487 50 5 KIBAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000103368018 555366185 /nfs/dbraw/zinc/36/61/85/555366185.db2.gz YDCWHIJJWPXFOJ-WINIVTDRSA-N 1 1 589.139 4.487 50 5 KIBAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000103368018 555366183 /nfs/dbraw/zinc/36/61/83/555366183.db2.gz YDCWHIJJWPXFOJ-WINIVTDRSA-N 1 1 589.139 4.487 50 5 KIBAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[C@H](C)C2)cc1 ZINC000103368302 555366174 /nfs/dbraw/zinc/36/61/74/555366174.db2.gz GTJMXBROCOSFQZ-XHCCPWGMSA-N 1 1 589.139 4.487 50 5 KIBAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[C@H](C)C2)cc1 ZINC000103368302 555366171 /nfs/dbraw/zinc/36/61/71/555366171.db2.gz GTJMXBROCOSFQZ-XHCCPWGMSA-N 1 1 589.139 4.487 50 5 KIBAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[C@H](C)C2)cc1 ZINC000103368305 555366203 /nfs/dbraw/zinc/36/62/03/555366203.db2.gz GTJMXBROCOSFQZ-WINIVTDRSA-N 1 1 589.139 4.487 50 5 KIBAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[C@H](C)C2)cc1 ZINC000103368305 555366202 /nfs/dbraw/zinc/36/62/02/555366202.db2.gz GTJMXBROCOSFQZ-WINIVTDRSA-N 1 1 589.139 4.487 50 5 KIBAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000105059660 571390509 /nfs/dbraw/zinc/39/05/09/571390509.db2.gz DQCUEAMQQWIAIZ-DCFHFQCYSA-N 1 1 518.639 4.285 50 5 KIBAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000105059660 571390508 /nfs/dbraw/zinc/39/05/08/571390508.db2.gz DQCUEAMQQWIAIZ-DCFHFQCYSA-N 1 1 518.639 4.285 50 5 KIBAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000105060272 571390850 /nfs/dbraw/zinc/39/08/50/571390850.db2.gz YDCWHIJJWPXFOJ-PPHZAIPVSA-N 1 1 589.139 4.487 50 5 KIBAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000105060272 571390849 /nfs/dbraw/zinc/39/08/49/571390849.db2.gz YDCWHIJJWPXFOJ-PPHZAIPVSA-N 1 1 589.139 4.487 50 5 KIBAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000105061291 571390964 /nfs/dbraw/zinc/39/09/64/571390964.db2.gz RKBGVMYEYMQBGR-IBVKSMDESA-N 1 1 518.639 4.285 50 5 KIBAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000105061300 571390967 /nfs/dbraw/zinc/39/09/67/571390967.db2.gz AYMWSOYDOGVUDG-IBVKSMDESA-N 1 1 518.639 4.285 50 5 KIBAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](C)C2)cc1 ZINC000169677138 571554639 /nfs/dbraw/zinc/55/46/39/571554639.db2.gz PNACUEODDDPQLK-CCLHPLFOSA-N 1 1 518.639 4.285 50 5 KIBAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](C)C2)cc1 ZINC000169677138 571554637 /nfs/dbraw/zinc/55/46/37/571554637.db2.gz PNACUEODDDPQLK-CCLHPLFOSA-N 1 1 518.639 4.285 50 5 KIBAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](C)C2)cc1 ZINC000169677139 571554560 /nfs/dbraw/zinc/55/45/60/571554560.db2.gz PNACUEODDDPQLK-DCFHFQCYSA-N 1 1 518.639 4.285 50 5 KIBAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](C)C2)cc1 ZINC000169677139 571554558 /nfs/dbraw/zinc/55/45/58/571554558.db2.gz PNACUEODDDPQLK-DCFHFQCYSA-N 1 1 518.639 4.285 50 5 KIBAMO COc1ccc(CCNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccc(Cl)cc4)C[C@@H]23)cc1 ZINC000169677528 571555171 /nfs/dbraw/zinc/55/51/71/571555171.db2.gz IAXSAEPYNUPFRD-IAPPQJPRSA-N 1 1 535.044 4.479 50 5 KIBAMO COc1ccc(CCNC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccc(Cl)cc4)C[C@@H]23)cc1 ZINC000169677529 571555003 /nfs/dbraw/zinc/55/50/03/571555003.db2.gz IAXSAEPYNUPFRD-XCZPVHLTSA-N 1 1 535.044 4.479 50 5 KIBAMO COc1ccc(NC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccc(F)cc4)C[C@@H]23)cc1OC ZINC000169677777 571555378 /nfs/dbraw/zinc/55/53/78/571555378.db2.gz ZAGSPZJLBJOUSG-NOZRDPDXSA-N 1 1 520.561 4.253 50 5 KIBAMO COc1ccc(NC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccc(F)cc4)C[C@@H]23)cc1OC ZINC000169677778 571555417 /nfs/dbraw/zinc/55/54/17/571555417.db2.gz ZAGSPZJLBJOUSG-ZCYQVOJMSA-N 1 1 520.561 4.253 50 5 KIBAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000169678404 571555632 /nfs/dbraw/zinc/55/56/32/571555632.db2.gz DQCUEAMQQWIAIZ-CCLHPLFOSA-N 1 1 518.639 4.285 50 5 KIBAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000169678404 571555630 /nfs/dbraw/zinc/55/56/30/571555630.db2.gz DQCUEAMQQWIAIZ-CCLHPLFOSA-N 1 1 518.639 4.285 50 5 KIBAMO O=C(NCCc1ccccc1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169679064 571556072 /nfs/dbraw/zinc/55/60/72/571556072.db2.gz YTENJFBTRJIYDR-VPUSJEBWSA-N 1 1 505.018 4.470 50 5 KIBAMO O=C(NCCc1ccccc1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169679065 571556124 /nfs/dbraw/zinc/55/61/24/571556124.db2.gz YTENJFBTRJIYDR-BDYUSTAISA-N 1 1 505.018 4.470 50 5 KIBAMO COc1ccc(CCNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccc(Cl)cc4)C[C@@H]23)cc1OC ZINC000169679081 571556349 /nfs/dbraw/zinc/55/63/49/571556349.db2.gz XAXDAYXQAOQYJC-VPUSJEBWSA-N 1 1 565.070 4.487 50 5 KIBAMO COc1ccc(CCNC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccc(Cl)cc4)C[C@@H]23)cc1OC ZINC000169679082 571556342 /nfs/dbraw/zinc/55/63/42/571556342.db2.gz XAXDAYXQAOQYJC-BDYUSTAISA-N 1 1 565.070 4.487 50 5 KIBAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H](C)C2)cc1 ZINC000169680858 571557252 /nfs/dbraw/zinc/55/72/52/571557252.db2.gz GTJMXBROCOSFQZ-UZTOHYMASA-N 1 1 589.139 4.487 50 5 KIBAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H](C)C2)cc1 ZINC000169680858 571557250 /nfs/dbraw/zinc/55/72/50/571557250.db2.gz GTJMXBROCOSFQZ-UZTOHYMASA-N 1 1 589.139 4.487 50 5 KIBAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H](C)C2)cc1 ZINC000169680859 571557343 /nfs/dbraw/zinc/55/73/43/571557343.db2.gz GTJMXBROCOSFQZ-PPHZAIPVSA-N 1 1 589.139 4.487 50 5 KIBAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H](C)C2)cc1 ZINC000169680859 571557342 /nfs/dbraw/zinc/55/73/42/571557342.db2.gz GTJMXBROCOSFQZ-PPHZAIPVSA-N 1 1 589.139 4.487 50 5 KIBAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000169680867 571557156 /nfs/dbraw/zinc/55/71/56/571557156.db2.gz YDCWHIJJWPXFOJ-UZTOHYMASA-N 1 1 589.139 4.487 50 5 KIBAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000169680867 571557154 /nfs/dbraw/zinc/55/71/54/571557154.db2.gz YDCWHIJJWPXFOJ-UZTOHYMASA-N 1 1 589.139 4.487 50 5 KIBAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H](C)C2)cc1 ZINC000169680895 571557134 /nfs/dbraw/zinc/55/71/34/571557134.db2.gz QQWIDZSQXFREFM-CCLHPLFOSA-N 1 1 518.639 4.285 50 5 KIBAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H](C)C2)cc1 ZINC000169680895 571557132 /nfs/dbraw/zinc/55/71/32/571557132.db2.gz QQWIDZSQXFREFM-CCLHPLFOSA-N 1 1 518.639 4.285 50 5 KIBAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H](C)C2)cc1 ZINC000169680896 571557205 /nfs/dbraw/zinc/55/72/05/571557205.db2.gz QQWIDZSQXFREFM-DCFHFQCYSA-N 1 1 518.639 4.285 50 5 KIBAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H](C)C2)cc1 ZINC000169680896 571557203 /nfs/dbraw/zinc/55/72/03/571557203.db2.gz QQWIDZSQXFREFM-DCFHFQCYSA-N 1 1 518.639 4.285 50 5 KIBAMO CC(C)CNC(=O)c1cccc(C[N+]2(Cc3cccc(C(=O)NCC(C)C)c3)CCN3CCC2CC3)c1 ZINC000225513008 571883961 /nfs/dbraw/zinc/88/39/61/571883961.db2.gz UPQMMSGPACJMRU-UHFFFAOYSA-O 1 1 505.727 4.453 50 5 KIBAMO O=C(c1cccc([N+](=O)[O-])c1)C1[C@]2(C(=O)Nc3ccccc32)[C@H]2CCCN2[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000245327825 572234397 /nfs/dbraw/zinc/23/43/97/572234397.db2.gz RPTKCNLFCBXWBF-LXEATBNUSA-N 1 1 528.952 4.263 50 5 KIBAMO O=C(c1cccc([N+](=O)[O-])c1)C1[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCCN2[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000245327828 572234390 /nfs/dbraw/zinc/23/43/90/572234390.db2.gz RPTKCNLFCBXWBF-QJGCUMMJSA-N 1 1 528.952 4.263 50 5 KIBAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000245342990 572236794 /nfs/dbraw/zinc/23/67/94/572236794.db2.gz AYMWSOYDOGVUDG-FQRUVTKNSA-N 1 1 518.639 4.285 50 5 KIBAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000248108047 572253778 /nfs/dbraw/zinc/25/37/78/572253778.db2.gz RKBGVMYEYMQBGR-FQRUVTKNSA-N 1 1 518.639 4.285 50 5 KIBAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+]2CCC[C@@H]2[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]12C(=O)Nc1ccccc12 ZINC000251997521 572259661 /nfs/dbraw/zinc/25/96/61/572259661.db2.gz LHMBYHDQQLQZIV-DLQYFKQDSA-N 1 1 522.561 4.172 50 5 KIBAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+]2CCC[C@@H]2[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12 ZINC000251997526 572259649 /nfs/dbraw/zinc/25/96/49/572259649.db2.gz LHMBYHDQQLQZIV-XSLCZBKOSA-N 1 1 522.561 4.172 50 5 KIBAMO Cc1ccc2c(c1C)NC(=O)[C@@]21C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@H+]21 ZINC000253487650 572290774 /nfs/dbraw/zinc/29/07/74/572290774.db2.gz NGFOLCMPKJGNRL-CDBRBCFXSA-N 1 1 522.561 4.226 50 5 KIBAMO