smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(N[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826270613 947783651 /nfs/dbraw/zinc/78/36/51/947783651.db2.gz HLAKSUXWEVXFQN-LBPRGKRZSA-N 0 3 375.392 3.227 20 5 GGBDHN CC1(c2ccccc2)CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001575856489 949247103 /nfs/dbraw/zinc/24/71/03/949247103.db2.gz GHONQXPARORHES-UHFFFAOYSA-N 0 3 378.436 3.329 20 5 GGBDHN COc1ccc(CN2CCCN(c3nc4sccn4c3[N+](=O)[O-])CC2)cc1 ZINC000058489363 205177376 /nfs/dbraw/zinc/17/73/76/205177376.db2.gz ABFMRVHZTLXSRQ-UHFFFAOYSA-N 0 3 387.465 3.025 20 5 GGBDHN CC[C@H](C[C@H](C)CO)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000565803800 567100770 /nfs/dbraw/zinc/10/07/70/567100770.db2.gz PWVXAFPAKGPMRC-GXFFZTMASA-N 0 3 392.237 3.086 20 5 GGBDHN C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H](C)C1 ZINC000120382742 564318109 /nfs/dbraw/zinc/31/81/09/564318109.db2.gz JYJWSZBUSNDNOU-OLZOCXBDSA-N 0 3 398.301 3.136 20 5 GGBDHN Cc1c(Br)cc(C(=O)N(C)C[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000123966223 564467348 /nfs/dbraw/zinc/46/73/48/564467348.db2.gz BNOJCSFJKBNLFZ-GFCCVEGCSA-N 0 3 384.274 3.080 20 5 GGBDHN CN(CCOc1ccccc1[N+](=O)[O-])[C@H](CO)c1cccc(Br)c1 ZINC000125544555 564517434 /nfs/dbraw/zinc/51/74/34/564517434.db2.gz VLJOMODSXKTYEC-MRXNPFEDSA-N 0 3 395.253 3.402 20 5 GGBDHN CCN(CC)[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])CC(C)C ZINC000129113207 564639097 /nfs/dbraw/zinc/63/90/97/564639097.db2.gz SIXFFCDAFJBUGZ-LBPRGKRZSA-N 0 3 377.532 3.228 20 5 GGBDHN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC(N2CC=CC2)CC1 ZINC000156685663 565101155 /nfs/dbraw/zinc/10/11/55/565101155.db2.gz KMUJCLYJSFPPKQ-UHFFFAOYSA-N 0 3 395.257 3.225 20 5 GGBDHN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@H](N2CCCCC2)C1 ZINC000267488659 565119641 /nfs/dbraw/zinc/11/96/41/565119641.db2.gz VWSIFQZEUOZIMO-ZDUSSCGKSA-N 0 3 382.258 3.058 20 5 GGBDHN CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1Br)N1CCCCC1 ZINC000158687902 565177886 /nfs/dbraw/zinc/17/78/86/565177886.db2.gz OWKOXBSQAVMYLC-UHFFFAOYSA-N 0 3 384.274 3.352 20 5 GGBDHN COc1cc(CNC[C@H]2CSCCS2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272441700 565287834 /nfs/dbraw/zinc/28/78/34/565287834.db2.gz OOHUEZFQLSTAFP-NSHDSACASA-N 0 3 394.465 3.186 20 5 GGBDHN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H](N2CCCC2)C1 ZINC000162164691 565307275 /nfs/dbraw/zinc/30/72/75/565307275.db2.gz QNDLYSAQTHDTRZ-AWEZNQCLSA-N 0 3 382.258 3.058 20 5 GGBDHN CN1CCC[C@@]2(CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C2)C1 ZINC000297684761 565382472 /nfs/dbraw/zinc/38/24/72/565382472.db2.gz HBANMBSIHRHAQX-MRXNPFEDSA-N 0 3 397.273 3.307 20 5 GGBDHN C[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[C@H]1N1CCN(C)CC1 ZINC000375380515 565384148 /nfs/dbraw/zinc/38/41/48/565384148.db2.gz PTLPBIGLHSMIEA-MLGOLLRUSA-N 0 3 387.311 3.364 20 5 GGBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H](O)c1cccc(Br)c1 ZINC000298034109 565396132 /nfs/dbraw/zinc/39/61/32/565396132.db2.gz CMRFAIOOYDQDEZ-SJORKVTESA-N 0 3 395.253 3.056 20 5 GGBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000275553870 565418425 /nfs/dbraw/zinc/41/84/25/565418425.db2.gz CSWKUWOBLBYIBN-NEPJUHHUSA-N 0 3 380.388 3.079 20 5 GGBDHN O=[N+]([O-])c1cc(I)ccc1NC1CCN(C2CC2)CC1 ZINC000301081219 565462471 /nfs/dbraw/zinc/46/24/71/565462471.db2.gz GLTQQNXSUOKCJD-UHFFFAOYSA-N 0 3 387.221 3.238 20 5 GGBDHN COc1cccc([C@H](CNc2ncc([N+](=O)[O-])cc2Br)N(C)C)c1 ZINC000301500660 565490904 /nfs/dbraw/zinc/49/09/04/565490904.db2.gz WWELBHWXPMPZMN-HNNXBMFYSA-N 0 3 395.257 3.476 20 5 GGBDHN C[C@@H]1CN(CCCCNc2c(Br)cncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000301901624 565517859 /nfs/dbraw/zinc/51/78/59/565517859.db2.gz VSHRTDQRYNOHBG-TXEJJXNPSA-N 0 3 387.278 3.054 20 5 GGBDHN CN(CCNc1c(Br)cncc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000301905045 565518090 /nfs/dbraw/zinc/51/80/90/565518090.db2.gz YLNSIKJCEMQFEW-UHFFFAOYSA-N 0 3 383.221 3.435 20 5 GGBDHN CN1CCC2(CCCN2C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000378333021 565522496 /nfs/dbraw/zinc/52/24/96/565522496.db2.gz HOEDYCLTDFQZSU-UHFFFAOYSA-N 0 3 382.258 3.058 20 5 GGBDHN Cc1c(Br)cc(C(=O)N2CCCC23CCN(C)CC3)cc1[N+](=O)[O-] ZINC000378333131 565522874 /nfs/dbraw/zinc/52/28/74/565522874.db2.gz ILVMTVRGKZZAKY-UHFFFAOYSA-N 0 3 396.285 3.366 20 5 GGBDHN Cc1cc(N[C@@H](C)CCN2CCN(C)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302666167 565548374 /nfs/dbraw/zinc/54/83/74/565548374.db2.gz JISLFCOSOOMFSK-ZDUSSCGKSA-N 0 3 385.306 3.104 20 5 GGBDHN Cc1c(CNC[C@@H](O)COc2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000392519328 565565822 /nfs/dbraw/zinc/56/58/22/565565822.db2.gz IEBMIFRYUXWBOE-OAHLLOKOSA-N 0 3 395.253 3.195 20 5 GGBDHN O=[N+]([O-])c1cc(Br)cnc1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309829614 565578386 /nfs/dbraw/zinc/57/83/86/565578386.db2.gz RQLHRLWVEDFPQN-CQSZACIVSA-N 0 3 377.242 3.439 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000408004891 565591204 /nfs/dbraw/zinc/59/12/04/565591204.db2.gz ZWKTVSCGKSZQGI-BLLLJJGKSA-N 0 3 396.285 3.222 20 5 GGBDHN [NH3+]CCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000327875253 565633264 /nfs/dbraw/zinc/63/32/64/565633264.db2.gz XYKFBEWBCBVXEY-CQSZACIVSA-N 0 3 383.857 3.007 20 5 GGBDHN Cc1c(NC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc(Br)cc1[N+](=O)[O-] ZINC000280740090 565692876 /nfs/dbraw/zinc/69/28/76/565692876.db2.gz LKPGMXVWVJFXMO-XHDPSFHLSA-N 0 3 397.273 3.224 20 5 GGBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000331517949 565764334 /nfs/dbraw/zinc/76/43/34/565764334.db2.gz DQHJRWCNHFODCI-TZMCWYRMSA-N 0 3 383.901 3.426 20 5 GGBDHN COC1([C@H](C)NCc2cc(I)cc([N+](=O)[O-])c2)CCC1 ZINC000412017956 565766100 /nfs/dbraw/zinc/76/61/00/565766100.db2.gz AQZQMQVKXQYZBE-JTQLQIEISA-N 0 3 390.221 3.247 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000332209766 565815725 /nfs/dbraw/zinc/81/57/25/565815725.db2.gz RYAWIEFBFOOUOP-FZMZJTMJSA-N 0 3 396.285 3.365 20 5 GGBDHN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@H](N2CCCC2)C1 ZINC000332332778 565829831 /nfs/dbraw/zinc/82/98/31/565829831.db2.gz PNOCYIVOOZLZKR-ZDUSSCGKSA-N 0 3 382.258 3.058 20 5 GGBDHN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCCN(C2CCCC2)CC1 ZINC000177307283 565843337 /nfs/dbraw/zinc/84/33/37/565843337.db2.gz VZJWFTOJIJBXSO-UHFFFAOYSA-N 0 3 396.285 3.448 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000284226904 565846724 /nfs/dbraw/zinc/84/67/24/565846724.db2.gz DQWIDEFKGLEWFB-BMIGLBTASA-N 0 3 384.274 3.078 20 5 GGBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000177769764 565872981 /nfs/dbraw/zinc/87/29/81/565872981.db2.gz ZEGPHWGXNCHABI-YPMHNXCESA-N 0 3 382.258 3.056 20 5 GGBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000177818451 565875484 /nfs/dbraw/zinc/87/54/84/565875484.db2.gz DTROKTAYHXWPSN-OLZOCXBDSA-N 0 3 382.258 3.056 20 5 GGBDHN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCCN(C2CCCC2)CC1 ZINC000178571483 565926526 /nfs/dbraw/zinc/92/65/26/565926526.db2.gz KDWLLZKWQWVBAS-UHFFFAOYSA-N 0 3 396.285 3.448 20 5 GGBDHN C[C@@H](NCCNC(=O)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178648650 565931581 /nfs/dbraw/zinc/93/15/81/565931581.db2.gz BXURMKHPRPCROO-GFCCVEGCSA-N 0 3 392.253 3.438 20 5 GGBDHN C[C@H](NCCNC(=O)c1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178652328 565931633 /nfs/dbraw/zinc/93/16/33/565931633.db2.gz MGLQMKQSXURLER-LBPRGKRZSA-N 0 3 392.253 3.438 20 5 GGBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000285979200 565935998 /nfs/dbraw/zinc/93/59/98/565935998.db2.gz XAPPNSPCRLLCTE-AAEUAGOBSA-N 0 3 382.258 3.056 20 5 GGBDHN Cc1c(Br)cc(C(=O)N2CCC[C@H]2CN2CCCC2)cc1[N+](=O)[O-] ZINC000178756992 565936187 /nfs/dbraw/zinc/93/61/87/565936187.db2.gz ZGLRZYPMJHUZSO-AWEZNQCLSA-N 0 3 396.285 3.366 20 5 GGBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000236607276 565940234 /nfs/dbraw/zinc/94/02/34/565940234.db2.gz KNTUKLDZVIXYHV-UHFFFAOYSA-N 0 3 392.253 3.267 20 5 GGBDHN CC(=O)NCCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000236649073 565940883 /nfs/dbraw/zinc/94/08/83/565940883.db2.gz GFDASHZGEOVPMA-UHFFFAOYSA-N 0 3 396.241 3.233 20 5 GGBDHN C[C@@H]1C[C@H](C)CN(CCCCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000179569780 565989693 /nfs/dbraw/zinc/98/96/93/565989693.db2.gz IFUKNSSRNZVCHD-BETUJISGSA-N 0 3 389.543 3.230 20 5 GGBDHN C[C@H]1CCCCN1CCCCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000179569531 565990265 /nfs/dbraw/zinc/99/02/65/565990265.db2.gz DAHJRBIOVGYXNE-LBPRGKRZSA-N 0 3 375.516 3.126 20 5 GGBDHN C[C@@H]1C[C@@H](C)CN(CCCCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000179569809 565990375 /nfs/dbraw/zinc/99/03/75/565990375.db2.gz IFUKNSSRNZVCHD-CHWSQXEVSA-N 0 3 389.543 3.230 20 5 GGBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000287415925 566016734 /nfs/dbraw/zinc/01/67/34/566016734.db2.gz ZTFOCUQBAUOWRK-ABAIWWIYSA-N 0 3 382.258 3.056 20 5 GGBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H](C)C1 ZINC000246176207 566020079 /nfs/dbraw/zinc/02/00/79/566020079.db2.gz JPMGXJBQGHBSJU-VXGBXAGGSA-N 0 3 384.274 3.208 20 5 GGBDHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000246996451 566048492 /nfs/dbraw/zinc/04/84/92/566048492.db2.gz PSCSGWZJINIEBC-YPMHNXCESA-N 0 3 382.258 3.056 20 5 GGBDHN C[C@H](NC[C@H](O)COc1ccccc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000181363069 566135982 /nfs/dbraw/zinc/13/59/82/566135982.db2.gz WGZORZXTTQWLQL-WFASDCNBSA-N 0 3 395.253 3.448 20 5 GGBDHN C[C@@H](NC[C@@H](O)COc1ccccc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000181363125 566136111 /nfs/dbraw/zinc/13/61/11/566136111.db2.gz WGZORZXTTQWLQL-IUODEOHRSA-N 0 3 395.253 3.448 20 5 GGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H]2CCCS(=O)(=O)C2)s1 ZINC000289966903 566150719 /nfs/dbraw/zinc/15/07/19/566150719.db2.gz CVRVKNLPOKGCGR-ZDUSSCGKSA-N 0 3 380.491 3.238 20 5 GGBDHN COc1cc(CNC[C@H]2CCCSC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000290093283 566157417 /nfs/dbraw/zinc/15/74/17/566157417.db2.gz HELWTJRUZJJWSU-LLVKDONJSA-N 0 3 376.425 3.480 20 5 GGBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000290540174 566178415 /nfs/dbraw/zinc/17/84/15/566178415.db2.gz OMVBSCYYFKZVJR-NWDGAFQWSA-N 0 3 382.258 3.056 20 5 GGBDHN C[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000182175881 566188049 /nfs/dbraw/zinc/18/80/49/566188049.db2.gz ILONNGMKUFBYSX-WFASDCNBSA-N 0 3 395.253 3.448 20 5 GGBDHN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC[C@H](N2CCCC2)C1 ZINC000599379477 566259582 /nfs/dbraw/zinc/25/95/82/566259582.db2.gz HMIKQQWJCYOIJI-LBPRGKRZSA-N 0 3 382.258 3.058 20 5 GGBDHN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC[C@@H](N2CCCC2)C1 ZINC000599379475 566260117 /nfs/dbraw/zinc/26/01/17/566260117.db2.gz HMIKQQWJCYOIJI-GFCCVEGCSA-N 0 3 382.258 3.058 20 5 GGBDHN CC[C@H]1CCCCN1CCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599493001 566268999 /nfs/dbraw/zinc/26/89/99/566268999.db2.gz HXUWCJLMQWSLDP-LBPRGKRZSA-N 0 3 384.274 3.352 20 5 GGBDHN C[C@@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000599966120 566306224 /nfs/dbraw/zinc/30/62/24/566306224.db2.gz NSOCFCJFEJSCRH-LBPRGKRZSA-N 0 3 396.285 3.304 20 5 GGBDHN CC[C@@H](CSC)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000576032402 566309242 /nfs/dbraw/zinc/30/92/42/566309242.db2.gz KEOUIPSFARWMFN-NSHDSACASA-N 0 3 380.251 3.431 20 5 GGBDHN C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)N1CCCC[C@@H]1C ZINC000445823055 566313053 /nfs/dbraw/zinc/31/30/53/566313053.db2.gz ZYOJQNAQCNBYKK-QWHCGFSZSA-N 0 3 398.301 3.279 20 5 GGBDHN Cc1c(Br)cc(C(=O)N[C@H](C)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000509666534 566326725 /nfs/dbraw/zinc/32/67/25/566326725.db2.gz KRQDVPRXPYITBL-LLVKDONJSA-N 0 3 384.274 3.270 20 5 GGBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462667664 566338851 /nfs/dbraw/zinc/33/88/51/566338851.db2.gz HVLNVOROVZESJA-NSHDSACASA-N 0 3 396.296 3.006 20 5 GGBDHN C[C@@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Sc1ccccc1 ZINC000576576474 566359103 /nfs/dbraw/zinc/35/91/03/566359103.db2.gz DBFNQYQQCIMVQW-AWEZNQCLSA-N 0 3 380.491 3.139 20 5 GGBDHN C[C@H]1C[C@H](Nc2c3cc(Br)ccc3ncc2[N+](=O)[O-])CCN1C ZINC000462875451 566362923 /nfs/dbraw/zinc/36/29/23/566362923.db2.gz MFUMJLXTTWRLLY-CMPLNLGQSA-N 0 3 379.258 3.222 20 5 GGBDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H](C)C1 ZINC000558027660 566443059 /nfs/dbraw/zinc/44/30/59/566443059.db2.gz RPZBPBMUCDZYDT-MQIPJXDCSA-N 0 3 396.285 3.160 20 5 GGBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000558028021 566443147 /nfs/dbraw/zinc/44/31/47/566443147.db2.gz ZQRQVKRHHWVODI-MKBNYLNASA-N 0 3 396.285 3.160 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCCN(C(C)C)CC1 ZINC000577753986 566463254 /nfs/dbraw/zinc/46/32/54/566463254.db2.gz NOJNYZUNXSPRSY-UHFFFAOYSA-N 0 3 384.274 3.222 20 5 GGBDHN O=[N+]([O-])c1sc(CNCCCOCC(F)(F)F)cc1Br ZINC000602507874 566475460 /nfs/dbraw/zinc/47/54/60/566475460.db2.gz INIIKGXFVWMDTF-UHFFFAOYSA-N 0 3 377.182 3.477 20 5 GGBDHN O=[N+]([O-])c1sc(CN[C@@H]2CC[C@@](O)(C(F)(F)F)C2)cc1Br ZINC000602670183 566485417 /nfs/dbraw/zinc/48/54/17/566485417.db2.gz BRWNNMHXQXBJQI-LDWIPMOCSA-N 0 3 389.193 3.354 20 5 GGBDHN O=[N+]([O-])c1sc(CN[C@H]2CC[C@](O)(C(F)(F)F)C2)cc1Br ZINC000602670185 566485514 /nfs/dbraw/zinc/48/55/14/566485514.db2.gz BRWNNMHXQXBJQI-QUBYGPBYSA-N 0 3 389.193 3.354 20 5 GGBDHN O=[N+]([O-])c1sc(CN[C@@H]2CC[C@](O)(C(F)(F)F)C2)cc1Br ZINC000602670184 566485720 /nfs/dbraw/zinc/48/57/20/566485720.db2.gz BRWNNMHXQXBJQI-LHLIQPBNSA-N 0 3 389.193 3.354 20 5 GGBDHN COC1([C@H](C)NCc2cc(Br)c([N+](=O)[O-])s2)CCOCC1 ZINC000602693221 566486719 /nfs/dbraw/zinc/48/67/19/566486719.db2.gz DEKHMODOVCHSJK-VIFPVBQESA-N 0 3 379.276 3.093 20 5 GGBDHN C[S@](=O)[C@H]1CCC[C@@H](NCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602705290 566486903 /nfs/dbraw/zinc/48/69/03/566486903.db2.gz FQXTUDKCOZDWKB-CBUNIWKESA-N 0 3 381.317 3.198 20 5 GGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000449283180 566544096 /nfs/dbraw/zinc/54/40/96/566544096.db2.gz KKYVVAGSUNQGPM-GFCCVEGCSA-N 0 3 382.869 3.373 20 5 GGBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000449283340 566544754 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O=[N+]([O-])c1ccc(CNC[C@H](CO)Cc2ccc(F)c(Br)c2)cc1 ZINC000449677823 566589248 /nfs/dbraw/zinc/58/92/48/566589248.db2.gz CTQGRPGTMJOKEL-CQSZACIVSA-N 0 3 397.244 3.437 20 5 GGBDHN Cc1cc(CCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000579229241 566591097 /nfs/dbraw/zinc/59/10/97/566591097.db2.gz KXRHIFRYDYVRTQ-UHFFFAOYSA-N 0 3 382.869 3.163 20 5 GGBDHN O=[N+]([O-])c1ccccc1CNC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000449685707 566592744 /nfs/dbraw/zinc/59/27/44/566592744.db2.gz VLGOVUPKVWDNOB-ZDUSSCGKSA-N 0 3 397.244 3.437 20 5 GGBDHN O=[N+]([O-])c1cc(I)cc(CNCCC[C@H]2CCOC2)c1 ZINC000449691576 566594379 /nfs/dbraw/zinc/59/43/79/566594379.db2.gz XCPZZLGHZXSHBN-NSHDSACASA-N 0 3 390.221 3.106 20 5 GGBDHN COc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c(Br)c1[O-] ZINC000579528434 566615977 /nfs/dbraw/zinc/61/59/77/566615977.db2.gz NFCAEACDLXXCDC-UHFFFAOYSA-N 0 3 396.241 3.037 20 5 GGBDHN Cc1sc(S(=O)(=O)[N-]CC2CC[NH+](CCC(C)C)CC2)cc1[N+](=O)[O-] ZINC000467081458 566625264 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GYDUNYCWTNHGEL-NUEKZKHPSA-N 0 3 396.285 3.094 20 5 GGBDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425469768 566646856 /nfs/dbraw/zinc/64/68/56/566646856.db2.gz FDJCRQSMPYUBBJ-CYBMUJFWSA-N 0 3 398.301 3.042 20 5 GGBDHN CCSCCCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000580015793 566658580 /nfs/dbraw/zinc/65/85/80/566658580.db2.gz BGAVFROEUBDVEO-UHFFFAOYSA-N 0 3 380.251 3.432 20 5 GGBDHN Cc1nc(N(CCN(C)C)Cc2ccc(Br)cc2)ncc1[N+](=O)[O-] ZINC000450376968 566664292 /nfs/dbraw/zinc/66/42/92/566664292.db2.gz IAPXRORKCTZHGH-UHFFFAOYSA-N 0 3 394.273 3.024 20 5 GGBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000468476744 566704516 /nfs/dbraw/zinc/70/45/16/566704516.db2.gz XAKIPQFPJRUGNV-AWEZNQCLSA-N 0 3 384.274 3.208 20 5 GGBDHN O=[N+]([O-])c1ccc(OCCN(CCO)Cc2cccc(Br)c2)cc1 ZINC000488157937 566710789 /nfs/dbraw/zinc/71/07/89/566710789.db2.gz FIIHKGNEWVMWIG-UHFFFAOYSA-N 0 3 395.253 3.231 20 5 GGBDHN O=[N+]([O-])c1ccc(CCN(CCO)Cc2cccc(Br)c2)cc1 ZINC000488191293 566712872 /nfs/dbraw/zinc/71/28/72/566712872.db2.gz UUVHQNCMPMYISN-UHFFFAOYSA-N 0 3 379.254 3.394 20 5 GGBDHN C[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCN(C2CCC2)C1 ZINC000561527673 566715331 /nfs/dbraw/zinc/71/53/31/566715331.db2.gz LXTXOWZEMIEBLQ-GFCCVEGCSA-N 0 3 396.285 3.304 20 5 GGBDHN Cc1csc(Sc2ccc(C(=O)N[C@@H](C)CN(C)C)cc2[N+](=O)[O-])n1 ZINC000561768568 566737189 /nfs/dbraw/zinc/73/71/89/566737189.db2.gz RYTXEQGUKKLVPJ-JTQLQIEISA-N 0 3 380.495 3.191 20 5 GGBDHN COCCC1(CNCc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000515923992 566738771 /nfs/dbraw/zinc/73/87/71/566738771.db2.gz BEFXJXKADXVVTF-UHFFFAOYSA-N 0 3 390.221 3.106 20 5 GGBDHN CC1(C)C[C@@H](NCc2cc(I)cc([N+](=O)[O-])c2)CCO1 ZINC000580982702 566738934 /nfs/dbraw/zinc/73/89/34/566738934.db2.gz LZKPTWPOQKKVIM-LBPRGKRZSA-N 0 3 390.221 3.247 20 5 GGBDHN C[C@H](NC[C@H](O)COc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000451102874 566758561 /nfs/dbraw/zinc/75/85/61/566758561.db2.gz FMSNNGIZCXZEGS-LRDDRELGSA-N 0 3 395.253 3.448 20 5 GGBDHN CCC(O)(CC)CCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000562074519 566762526 /nfs/dbraw/zinc/76/25/26/566762526.db2.gz OQGUNQBPYXVTHH-UHFFFAOYSA-N 0 3 392.237 3.230 20 5 GGBDHN C[C@@H]1C[C@@H](NCc2cc(I)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000516606633 566772652 /nfs/dbraw/zinc/77/26/52/566772652.db2.gz OKGHSCHXEJFFBK-DDFAGTSDSA-N 0 3 390.221 3.245 20 5 GGBDHN CS(=O)(=O)c1ccc(CN[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000469274701 566777662 /nfs/dbraw/zinc/77/76/62/566777662.db2.gz RJNPTLFVYOWSEP-OAHLLOKOSA-N 0 3 380.491 3.171 20 5 GGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H]2CCCCS2(=O)=O)s1 ZINC000542311783 566793178 /nfs/dbraw/zinc/79/31/78/566793178.db2.gz WHUXOYDGVNDJGI-AWEZNQCLSA-N 0 3 380.491 3.380 20 5 GGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1cc(Cl)sc1Cl ZINC000581879680 566812133 /nfs/dbraw/zinc/81/21/33/566812133.db2.gz UZEKTRAUMFDIKE-SNVBAGLBSA-N 0 3 377.249 3.493 20 5 GGBDHN CCN1CCCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1 ZINC000610515237 566840006 /nfs/dbraw/zinc/84/00/06/566840006.db2.gz KVYQANZGBOGUFQ-UHFFFAOYSA-N 0 3 379.258 3.438 20 5 GGBDHN O=[N+]([O-])c1ccc(CNC[C@H](CO)Cc2ccccc2Br)cc1 ZINC000428540402 566854721 /nfs/dbraw/zinc/85/47/21/566854721.db2.gz AMOLLQLOHCGMAC-CQSZACIVSA-N 0 3 379.254 3.298 20 5 GGBDHN O=[N+]([O-])c1cccc(CNC[C@@H](CO)Cc2cccc(Br)c2)c1 ZINC000428545831 566856326 /nfs/dbraw/zinc/85/63/26/566856326.db2.gz WFMKARLWLUQWRB-HNNXBMFYSA-N 0 3 379.254 3.298 20 5 GGBDHN CN(Cc1ccccc1)[C@@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000610770007 566861369 /nfs/dbraw/zinc/86/13/69/566861369.db2.gz HQVLJXPNOIWQHE-OAHLLOKOSA-N 0 3 391.269 3.463 20 5 GGBDHN C[C@@H]1COCCN1C1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000582428800 566861431 /nfs/dbraw/zinc/86/14/31/566861431.db2.gz ZXNAVJIKRPDSTA-CYBMUJFWSA-N 0 3 398.301 3.042 20 5 GGBDHN CN(C)CCN(Cc1ccccc1F)c1ncc([N+](=O)[O-])cc1Br ZINC000470510114 566879650 /nfs/dbraw/zinc/87/96/50/566879650.db2.gz UDLVARWGBJOPNK-UHFFFAOYSA-N 0 3 397.248 3.460 20 5 GGBDHN CC[C@@H](CN1CCCC1)NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000611076241 566887103 /nfs/dbraw/zinc/88/71/03/566887103.db2.gz YAYNFLZBCIXIMA-ZDUSSCGKSA-N 0 3 384.274 3.270 20 5 GGBDHN C[C@H](CS(=O)(=O)c1ccccc1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543635417 566895298 /nfs/dbraw/zinc/89/52/98/566895298.db2.gz ABYBKMCYMSGNGJ-CYBMUJFWSA-N 0 3 382.869 3.243 20 5 GGBDHN CC(C)(NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Br)cc1 ZINC000611185418 566898018 /nfs/dbraw/zinc/89/80/18/566898018.db2.gz MJLQAUGZQVYNQW-UHFFFAOYSA-N 0 3 380.242 3.044 20 5 GGBDHN CN(Cc1ccccc1)[C@@H]1CCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000611227599 566902320 /nfs/dbraw/zinc/90/23/20/566902320.db2.gz GOFZNMJPXQTUKC-CQSZACIVSA-N 0 3 391.269 3.463 20 5 GGBDHN O=[N+]([O-])c1ccc(OCCN[C@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000429033424 566904307 /nfs/dbraw/zinc/90/43/07/566904307.db2.gz FAOGCBRCSWVZAE-MRXNPFEDSA-N 0 3 399.216 3.198 20 5 GGBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000429140600 566910065 /nfs/dbraw/zinc/91/00/65/566910065.db2.gz YVTCTNXLKHVZGJ-MRXNPFEDSA-N 0 3 379.869 3.277 20 5 GGBDHN CCN(C[C@H]1CCCN1CC)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000563916289 566928475 /nfs/dbraw/zinc/92/84/75/566928475.db2.gz LWTHNHKUEQFRQG-CQSZACIVSA-N 0 3 384.274 3.304 20 5 GGBDHN CCC(CC)(CNCc1cc(I)cc([N+](=O)[O-])c1)OC ZINC000492487631 566933774 /nfs/dbraw/zinc/93/37/74/566933774.db2.gz SFEYJNVYGGDCGM-UHFFFAOYSA-N 0 3 392.237 3.494 20 5 GGBDHN O=[N+]([O-])c1ccc(OCCCN[C@H](CO)c2ccc(Br)cc2)cc1 ZINC000611682563 566934127 /nfs/dbraw/zinc/93/41/27/566934127.db2.gz XXETZVNWCDYYPO-QGZVFWFLSA-N 0 3 395.253 3.449 20 5 GGBDHN Cc1c(Br)cc(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000452175099 566948205 /nfs/dbraw/zinc/94/82/05/566948205.db2.gz RTMCBMFXTNNQCW-LLVKDONJSA-N 0 3 396.285 3.222 20 5 GGBDHN O=[N+]([O-])c1cc(I)cc(CN[C@@H]2CCCSC2)c1 ZINC000583593474 566965275 /nfs/dbraw/zinc/96/52/75/566965275.db2.gz BMFLENLGBWBHKK-LLVKDONJSA-N 0 3 378.235 3.185 20 5 GGBDHN C[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000429954386 566969961 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CC(C)(C)C[C@H](O)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000572446667 567640012 /nfs/dbraw/zinc/64/00/12/567640012.db2.gz BDBYJVUORGBWMW-ZDUSSCGKSA-N 0 3 392.237 3.086 20 5 GGBDHN COc1cc(C[NH2+]CCc2cccc(Br)c2)c([N+](=O)[O-])cc1[O-] ZINC000459634957 567644671 /nfs/dbraw/zinc/64/46/71/567644671.db2.gz FXYWYPSZUSMUKT-UHFFFAOYSA-N 0 3 381.226 3.404 20 5 GGBDHN O=[N+]([O-])c1ccc(CNC[C@@H](CO)Cc2cc(F)cc(Br)c2)cc1 ZINC000459685487 567649955 /nfs/dbraw/zinc/64/99/55/567649955.db2.gz ASVYDWNYLLTQAM-AWEZNQCLSA-N 0 3 397.244 3.437 20 5 GGBDHN CC(C)(CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)N1CCCCC1 ZINC000531264642 567650776 /nfs/dbraw/zinc/65/07/76/567650776.db2.gz FIRCKMRQPRKDNY-UHFFFAOYSA-N 0 3 398.301 3.281 20 5 GGBDHN CC(C)(C)N1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000531509126 567662605 /nfs/dbraw/zinc/66/26/05/567662605.db2.gz CRLQXECYVMIBED-UHFFFAOYSA-N 0 3 398.301 3.233 20 5 GGBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCCSc2ccccc2)cc1 ZINC000572751442 567662776 /nfs/dbraw/zinc/66/27/76/567662776.db2.gz 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CCN1CCN(c2ccc(Nc3ccc(C(=O)NC)cc3[N+](=O)[O-])c(C)c2)CC1 ZINC000053550279 1406439387 /nfs/dbraw/zinc/43/93/87/1406439387.db2.gz SGKBSMMUIBCXOJ-UHFFFAOYSA-N 0 3 397.479 3.148 20 5 GGBDHN Cn1cc(C(=O)N2CCN(CCC(C)(C)C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000054139078 1406628638 /nfs/dbraw/zinc/62/86/38/1406628638.db2.gz JMFNKTAMVCJMGN-UHFFFAOYSA-N 0 3 399.495 3.189 20 5 GGBDHN COc1cc(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000054227443 1406660625 /nfs/dbraw/zinc/66/06/25/1406660625.db2.gz XYFAFXBEZFHRSK-HOCLYGCPSA-N 0 3 399.447 3.177 20 5 GGBDHN COc1cc(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000054227444 1406660741 /nfs/dbraw/zinc/66/07/41/1406660741.db2.gz XYFAFXBEZFHRSK-ZBFHGGJFSA-N 0 3 399.447 3.177 20 5 GGBDHN O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H](c1cccs1)N1CCCC1 ZINC000055006594 1406868436 /nfs/dbraw/zinc/86/84/36/1406868436.db2.gz JQDVIBFKEMIUKM-INIZCTEOSA-N 0 3 389.477 3.379 20 5 GGBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000055404714 1406950147 /nfs/dbraw/zinc/95/01/47/1406950147.db2.gz SJLLPGBNVQMVMG-ZWKOTPCHSA-N 0 3 391.515 3.391 20 5 GGBDHN CN(C)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000006992841 1398582416 /nfs/dbraw/zinc/58/24/16/1398582416.db2.gz KPFBVJOBYYOOAG-UHFFFAOYSA-N 0 3 382.464 3.187 20 5 GGBDHN CCOc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000019005855 1399324237 /nfs/dbraw/zinc/32/42/37/1399324237.db2.gz JIRBMAUMHJOKRJ-UHFFFAOYSA-N 0 3 383.448 3.388 20 5 GGBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000020903587 1399357019 /nfs/dbraw/zinc/35/70/19/1399357019.db2.gz YLARNTVSJYFPLL-UHFFFAOYSA-N 0 3 382.464 3.055 20 5 GGBDHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000023738327 1399581546 /nfs/dbraw/zinc/58/15/46/1399581546.db2.gz AOFJBZOAPYPFLY-SFHVURJKSA-N 0 3 384.392 3.070 20 5 GGBDHN COc1ccc(CN(C)C)cc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000025855760 1399841511 /nfs/dbraw/zinc/84/15/11/1399841511.db2.gz GXVKOECWOLKLIK-UHFFFAOYSA-N 0 3 395.419 3.103 20 5 GGBDHN Cc1cccc(CN2CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000026249388 1399873231 /nfs/dbraw/zinc/87/32/31/1399873231.db2.gz DRWQVCAJTBYNED-UHFFFAOYSA-N 0 3 396.491 3.358 20 5 GGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000026300048 1399876824 /nfs/dbraw/zinc/87/68/24/1399876824.db2.gz XRYBKUDEOUYVFG-MAUKXSAKSA-N 0 3 387.505 3.365 20 5 GGBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000026300053 1399877077 /nfs/dbraw/zinc/87/70/77/1399877077.db2.gz XRYBKUDEOUYVFG-QAPCUYQASA-N 0 3 387.505 3.365 20 5 GGBDHN COC(=O)c1ccc(CN(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000026321632 1399878122 /nfs/dbraw/zinc/87/81/22/1399878122.db2.gz HFBCAFBCCMTALK-UHFFFAOYSA-N 0 3 385.420 3.150 20 5 GGBDHN CN(Cc1ccc(C(F)(F)F)cc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026335741 1399879047 /nfs/dbraw/zinc/87/90/47/1399879047.db2.gz XOPDTLJPJSGXJI-INIZCTEOSA-N 0 3 384.354 3.485 20 5 GGBDHN Cc1c(NC(=O)CCN2CCN(CCc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000026341219 1399880225 /nfs/dbraw/zinc/88/02/25/1399880225.db2.gz PCFDOLLQIUEXED-UHFFFAOYSA-N 0 3 396.491 3.092 20 5 GGBDHN C[C@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000026730070 1399926606 /nfs/dbraw/zinc/92/66/06/1399926606.db2.gz BYFLXRYMQYLDOJ-OAHLLOKOSA-N 0 3 394.475 3.346 20 5 GGBDHN Cc1ccccc1CN1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000027390327 1400031396 /nfs/dbraw/zinc/03/13/96/1400031396.db2.gz RJVDRZSOYPHGGT-UHFFFAOYSA-N 0 3 393.447 3.128 20 5 GGBDHN COc1cccc([C@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])N(C)C)c1 ZINC000028749845 1400191487 /nfs/dbraw/zinc/19/14/87/1400191487.db2.gz VJJALRGGRLPTTD-FQEVSTJZSA-N 0 3 398.463 3.210 20 5 GGBDHN CC(C)[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000029174715 1400253904 /nfs/dbraw/zinc/25/39/04/1400253904.db2.gz FSGTVRBZBXUPRS-NRFANRHFSA-N 0 3 397.475 3.173 20 5 GGBDHN CCOc1ccc(C(=O)NCC2(N3CCSCC3)CCCC2)cc1[N+](=O)[O-] ZINC000029367727 1400288380 /nfs/dbraw/zinc/28/83/80/1400288380.db2.gz QRHPHEQSHAIIRI-UHFFFAOYSA-N 0 3 393.509 3.085 20 5 GGBDHN Cc1cccc(C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000029999672 1400395641 /nfs/dbraw/zinc/39/56/41/1400395641.db2.gz BGCPNZPTVXDTFJ-HXUWFJFHSA-N 0 3 396.491 3.012 20 5 GGBDHN C[C@H](NC(=O)NCCCN1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000056393552 1407318377 /nfs/dbraw/zinc/31/83/77/1407318377.db2.gz LHMWNKVNVBNUDL-INIZCTEOSA-N 0 3 382.464 3.403 20 5 GGBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000045528241 1404139788 /nfs/dbraw/zinc/13/97/88/1404139788.db2.gz OYCXEZJSFNVOHV-LJQANCHMSA-N 0 3 382.464 3.178 20 5 GGBDHN CC[C@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000045625282 1404165600 /nfs/dbraw/zinc/16/56/00/1404165600.db2.gz RYVIDBLYMRFGTJ-LJQANCHMSA-N 0 3 382.464 3.231 20 5 GGBDHN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN(C2CCCC2)CC1 ZINC000045753756 1404194813 /nfs/dbraw/zinc/19/48/13/1404194813.db2.gz NPBBBSLURDRUCZ-ZDUSSCGKSA-N 0 3 380.876 3.135 20 5 GGBDHN Cc1cccc(CN2CCN(CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000045799553 1404207670 /nfs/dbraw/zinc/20/76/70/1404207670.db2.gz AQKGFZQJNHGHAB-UHFFFAOYSA-N 0 3 396.491 3.358 20 5 GGBDHN Cc1cccc(CN2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000045799549 1404207859 /nfs/dbraw/zinc/20/78/59/1404207859.db2.gz MBYCPNUIIDSCQP-UHFFFAOYSA-N 0 3 396.491 3.358 20 5 GGBDHN Cc1c(NC(=O)CCN2CCN(Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000045799542 1404207956 /nfs/dbraw/zinc/20/79/56/1404207956.db2.gz PMGPSDYRIUKFIF-UHFFFAOYSA-N 0 3 382.464 3.050 20 5 GGBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000047008879 1404672481 /nfs/dbraw/zinc/67/24/81/1404672481.db2.gz YLGHUSZDGSVEPO-UHFFFAOYSA-N 0 3 392.525 3.098 20 5 GGBDHN O=[N+]([O-])c1ccc(-c2noc(CN3CCCN(Cc4ccccc4)CC3)n2)cc1 ZINC000047406721 1404828283 /nfs/dbraw/zinc/82/82/83/1404828283.db2.gz JAJUEUNVGFMSEB-UHFFFAOYSA-N 0 3 393.447 3.353 20 5 GGBDHN CCN(CC)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccsc1 ZINC000048322021 1405145015 /nfs/dbraw/zinc/14/50/15/1405145015.db2.gz AZSVMDNSVYWFLF-OAHLLOKOSA-N 0 3 380.445 3.191 20 5 GGBDHN O=C(CN1CCN(CC2CCCCC2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000049981771 1405439953 /nfs/dbraw/zinc/43/99/53/1405439953.db2.gz GFHPTJRXRQMJBN-UHFFFAOYSA-N 0 3 394.903 3.385 20 5 GGBDHN O=C(CN1CCN(CC2CCCCC2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000049981778 1405440006 /nfs/dbraw/zinc/44/00/06/1405440006.db2.gz FDHIRLUCXRIUPF-UHFFFAOYSA-N 0 3 394.903 3.385 20 5 GGBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000061289366 1408103317 /nfs/dbraw/zinc/10/33/17/1408103317.db2.gz RJNPQKDPGMALRK-UHFFFAOYSA-N 0 3 385.489 3.367 20 5 GGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C[C@@H]1COc2ccccc2O1 ZINC000063482471 1408361415 /nfs/dbraw/zinc/36/14/15/1408361415.db2.gz WVIHVFNOARDABY-MRXNPFEDSA-N 0 3 385.420 3.004 20 5 GGBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCCN2CCc3ccccc3C2)c1 ZINC000063684960 1408391621 /nfs/dbraw/zinc/39/16/21/1408391621.db2.gz FUIBNGNSFGZSKF-UHFFFAOYSA-N 0 3 397.475 3.237 20 5 GGBDHN Cc1c(NC(=O)[C@H](C)N2CCN(CC3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000064129328 1408491733 /nfs/dbraw/zinc/49/17/33/1408491733.db2.gz HKNABYCNGCIOHW-KRWDZBQOSA-N 0 3 388.512 3.428 20 5 GGBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000065931716 1408756984 /nfs/dbraw/zinc/75/69/84/1408756984.db2.gz FBNBXLYETASWJL-UHFFFAOYSA-N 0 3 384.411 3.419 20 5 GGBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000065931486 1408756993 /nfs/dbraw/zinc/75/69/93/1408756993.db2.gz NWKBEDZJGWCWGR-UHFFFAOYSA-N 0 3 398.438 3.279 20 5 GGBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000065931527 1408757034 /nfs/dbraw/zinc/75/70/34/1408757034.db2.gz BLTDNPZUMSYWCD-UHFFFAOYSA-N 0 3 389.427 3.093 20 5 GGBDHN Cc1ccc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000065937359 1408758238 /nfs/dbraw/zinc/75/82/38/1408758238.db2.gz CERNHIGFXKLVMR-UHFFFAOYSA-N 0 3 377.391 3.385 20 5 GGBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000065937159 1408758385 /nfs/dbraw/zinc/75/83/85/1408758385.db2.gz FRCAJQNGFSHUMQ-UHFFFAOYSA-N 0 3 391.855 3.217 20 5 GGBDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000065938223 1408758772 /nfs/dbraw/zinc/75/87/72/1408758772.db2.gz YKBIYDMJFFZRCZ-UHFFFAOYSA-N 0 3 377.391 3.006 20 5 GGBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000065940370 1408759706 /nfs/dbraw/zinc/75/97/06/1408759706.db2.gz MFVLAFBNWNZHOX-UHFFFAOYSA-N 0 3 391.468 3.416 20 5 GGBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000065939942 1408759948 /nfs/dbraw/zinc/75/99/48/1408759948.db2.gz SFBAVMKAJYFASF-UHFFFAOYSA-N 0 3 384.411 3.419 20 5 GGBDHN CS(=O)(=O)c1ccc(NC2CCN(CC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000065946400 1408760734 /nfs/dbraw/zinc/76/07/34/1408760734.db2.gz RGTCVDMAGBJPAO-UHFFFAOYSA-N 0 3 395.525 3.455 20 5 GGBDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000067203717 1409040768 /nfs/dbraw/zinc/04/07/68/1409040768.db2.gz JINNFMLFTYNCSW-KRWDZBQOSA-N 0 3 380.448 3.302 20 5 GGBDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000067203587 1409040786 /nfs/dbraw/zinc/04/07/86/1409040786.db2.gz IKDMJLVKMXEXHM-SFHVURJKSA-N 0 3 394.475 3.328 20 5 GGBDHN CCOc1cc(C(=O)N2C[C@@H](N(C)C)Cc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000067205139 1409041876 /nfs/dbraw/zinc/04/18/76/1409041876.db2.gz ZWNAIEFSKDLFDF-HNNXBMFYSA-N 0 3 399.447 3.135 20 5 GGBDHN CCOc1cc(C(=O)N2C[C@H](N(C)C)Cc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000067205138 1409042063 /nfs/dbraw/zinc/04/20/63/1409042063.db2.gz ZWNAIEFSKDLFDF-OAHLLOKOSA-N 0 3 399.447 3.135 20 5 GGBDHN COc1cccc([C@@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)N2CCCC2)c1 ZINC000067725988 1409215692 /nfs/dbraw/zinc/21/56/92/1409215692.db2.gz LJIAHPANCRIXOU-HXUWFJFHSA-N 0 3 398.463 3.240 20 5 GGBDHN CC[C@H](CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000067809796 1409236386 /nfs/dbraw/zinc/23/63/86/1409236386.db2.gz YHTBZKHPKDFLRU-LJQANCHMSA-N 0 3 397.475 3.099 20 5 GGBDHN COc1ccc(CC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000067818778 1409237718 /nfs/dbraw/zinc/23/77/18/1409237718.db2.gz VRXRYDLZEUVGSA-QAPCUYQASA-N 0 3 383.448 3.098 20 5 GGBDHN COc1ccc(CC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1[N+](=O)[O-] ZINC000067901732 1409252583 /nfs/dbraw/zinc/25/25/83/1409252583.db2.gz TXQLCPMRQBUAFH-MRXNPFEDSA-N 0 3 389.477 3.161 20 5 GGBDHN CCc1ccc([C@@H](CNC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000067901813 1409252799 /nfs/dbraw/zinc/25/27/99/1409252799.db2.gz SZCVQPOCZPHJMK-LJQANCHMSA-N 0 3 385.464 3.127 20 5 GGBDHN Cc1c(NC(=O)CCN(C)C[C@H]2COc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000067960995 1409264749 /nfs/dbraw/zinc/26/47/49/1409264749.db2.gz XLLUJEYEPYYWFO-HNNXBMFYSA-N 0 3 385.420 3.004 20 5 GGBDHN Cc1c(NC(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000068555637 1409437828 /nfs/dbraw/zinc/43/78/28/1409437828.db2.gz AQFDSUQBPKWAGX-GASCZTMLSA-N 0 3 390.484 3.256 20 5 GGBDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000068589986 1409447066 /nfs/dbraw/zinc/44/70/66/1409447066.db2.gz CQKNUKSNKWIQMU-UHFFFAOYSA-N 0 3 392.406 3.146 20 5 GGBDHN CC(C)N1CCCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000068778506 1409490371 /nfs/dbraw/zinc/49/03/71/1409490371.db2.gz OGUQRZUVYIMDHH-UHFFFAOYSA-N 0 3 389.374 3.092 20 5 GGBDHN Cc1nn(Cc2ccc(C(=O)N3CCCN(C(C)C)CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000068799309 1409494864 /nfs/dbraw/zinc/49/48/64/1409494864.db2.gz ITBXTYSOYQUAAY-UHFFFAOYSA-N 0 3 399.495 3.013 20 5 GGBDHN Cc1c(NC(=O)[C@H](C)N2CCCN(Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000068966956 1409535292 /nfs/dbraw/zinc/53/52/92/1409535292.db2.gz LSBHXXZLMKPBGC-SFHVURJKSA-N 0 3 396.491 3.438 20 5 GGBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000176698310 1428416966 /nfs/dbraw/zinc/41/69/66/1428416966.db2.gz BIRLVSFXLZDNNV-HRCADAONSA-N 0 3 395.525 3.081 20 5 GGBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1[N+](=O)[O-] ZINC000069618842 1409664429 /nfs/dbraw/zinc/66/44/29/1409664429.db2.gz VMFMBHLWDNNQDW-LJQANCHMSA-N 0 3 398.419 3.378 20 5 GGBDHN Cc1c(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000069618832 1409664470 /nfs/dbraw/zinc/66/44/70/1409664470.db2.gz QFZOFWVWQYONAB-IBGZPJMESA-N 0 3 398.419 3.378 20 5 GGBDHN CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1CCN(CCc2ccccn2)CC1 ZINC000072054309 1409842141 /nfs/dbraw/zinc/84/21/41/1409842141.db2.gz HLNYPMRXOHNGPS-JXMROGBWSA-N 0 3 394.475 3.169 20 5 GGBDHN CCCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000077321458 1409895360 /nfs/dbraw/zinc/89/53/60/1409895360.db2.gz BLFKDJPODZFOBQ-UHOSZYNNSA-N 0 3 375.469 3.083 20 5 GGBDHN CCCN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000077321506 1409895450 /nfs/dbraw/zinc/89/54/50/1409895450.db2.gz VXKBVEUIHOYBHR-KYNGSXCRSA-N 0 3 375.469 3.367 20 5 GGBDHN Cc1ccc([C@H](C)NC(=O)N(CCN(C)C)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000176732438 1428441031 /nfs/dbraw/zinc/44/10/31/1428441031.db2.gz GPLAITSZGUAFKG-INIZCTEOSA-N 0 3 385.468 3.133 20 5 GGBDHN COCCN(CCO)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000093005921 1410214544 /nfs/dbraw/zinc/21/45/44/1410214544.db2.gz GFZBGKYHNDJNNE-UHFFFAOYSA-N 0 3 380.828 3.481 20 5 GGBDHN Cn1cc(CN(CCCO)Cc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093102029 1410222710 /nfs/dbraw/zinc/22/27/10/1410222710.db2.gz PDTNYSTVEPYNMR-UHFFFAOYSA-N 0 3 380.448 3.380 20 5 GGBDHN Cc1cccc(-c2n[nH]cc2CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000093534426 1410250941 /nfs/dbraw/zinc/25/09/41/1410250941.db2.gz CXXYDFSJCCVDLT-QGZVFWFLSA-N 0 3 378.436 3.375 20 5 GGBDHN COc1ccc(-c2n[nH]cc2CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000093534852 1410251919 /nfs/dbraw/zinc/25/19/19/1410251919.db2.gz BWQNFNQUMAYDFL-MRXNPFEDSA-N 0 3 394.435 3.075 20 5 GGBDHN COc1ccc(-c2n[nH]cc2CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000093534851 1410252018 /nfs/dbraw/zinc/25/20/18/1410252018.db2.gz BWQNFNQUMAYDFL-INIZCTEOSA-N 0 3 394.435 3.075 20 5 GGBDHN CNC(=O)CC1CCN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000093588168 1410254636 /nfs/dbraw/zinc/25/46/36/1410254636.db2.gz BBCQWKJLEJTYCW-UHFFFAOYSA-N 0 3 387.436 3.212 20 5 GGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCN(C[C@H]4CCOC4)CC3)s2)cc1 ZINC000093817427 1410271407 /nfs/dbraw/zinc/27/14/07/1410271407.db2.gz YVUXXUZQGLABCR-MRXNPFEDSA-N 0 3 387.505 3.477 20 5 GGBDHN CNC(=O)[C@H](C)CN(C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000093899390 1410280232 /nfs/dbraw/zinc/28/02/32/1410280232.db2.gz FLZVZBATDJMJFI-CYBMUJFWSA-N 0 3 375.400 3.340 20 5 GGBDHN O=[N+]([O-])c1ccc(OCCN2CCC(c3nc(-c4ccccn4)no3)CC2)cc1 ZINC000102520528 1410642524 /nfs/dbraw/zinc/64/25/24/1410642524.db2.gz QJILOQYLGLUXCB-UHFFFAOYSA-N 0 3 395.419 3.298 20 5 GGBDHN C[C@@H]1CN(CC2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000102648437 1410684992 /nfs/dbraw/zinc/68/49/92/1410684992.db2.gz IFIMEUGTPXOSJU-OKILXGFUSA-N 0 3 395.887 3.210 20 5 GGBDHN C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000176885014 1428512075 /nfs/dbraw/zinc/51/20/75/1428512075.db2.gz HIHOHYDGGRIQCM-APWZRJJASA-N 0 3 382.464 3.399 20 5 GGBDHN CN1CCO[C@@H](CNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000105471702 1411070084 /nfs/dbraw/zinc/07/00/84/1411070084.db2.gz NXRAGTUWWYOEEE-HNNXBMFYSA-N 0 3 391.855 3.461 20 5 GGBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCN(Cc2ccccc2)CC1 ZINC000105542632 1411082295 /nfs/dbraw/zinc/08/22/95/1411082295.db2.gz CYFPYVRGHLSJOW-KRWDZBQOSA-N 0 3 382.464 3.130 20 5 GGBDHN Cc1c(NC(=O)N(C)C2CCN(CCc3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000105718300 1411111938 /nfs/dbraw/zinc/11/19/38/1411111938.db2.gz MUMHNGRZXANNAG-UHFFFAOYSA-N 0 3 397.479 3.469 20 5 GGBDHN O=c1cc(CN2CCCN(c3cccnn3)CC2)c2c(ccc3ccccc32)o1 ZINC000106071368 1411164580 /nfs/dbraw/zinc/16/45/80/1411164580.db2.gz CVCAEOOIROFEEZ-UHFFFAOYSA-N 0 3 386.455 3.449 20 5 GGBDHN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000106152455 1411175223 /nfs/dbraw/zinc/17/52/23/1411175223.db2.gz IBKIVPQPSCNRCQ-GOSISDBHSA-N 0 3 382.464 3.178 20 5 GGBDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000109312810 1411738552 /nfs/dbraw/zinc/73/85/52/1411738552.db2.gz PVZZPXAOMVYNLY-KRWDZBQOSA-N 0 3 386.427 3.256 20 5 GGBDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000109312807 1411738709 /nfs/dbraw/zinc/73/87/09/1411738709.db2.gz PVZZPXAOMVYNLY-QGZVFWFLSA-N 0 3 386.427 3.256 20 5 GGBDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000109312998 1411739088 /nfs/dbraw/zinc/73/90/88/1411739088.db2.gz HAAMZPSYGNNCQR-GOSISDBHSA-N 0 3 398.463 3.125 20 5 GGBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000109505399 1411776149 /nfs/dbraw/zinc/77/61/49/1411776149.db2.gz XKAGQCNHFBKUPC-LJQANCHMSA-N 0 3 383.448 3.479 20 5 GGBDHN O=C(CCCN1CCN(c2ccccc2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000109740388 1411807136 /nfs/dbraw/zinc/80/71/36/1411807136.db2.gz XRHJJHJGKHHXMI-UHFFFAOYSA-N 0 3 386.427 3.275 20 5 GGBDHN CCN1CCCN(C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000110815355 1411871721 /nfs/dbraw/zinc/87/17/21/1411871721.db2.gz HKPAWPVZGZQRCC-IRXDYDNUSA-N 0 3 388.512 3.245 20 5 GGBDHN Cc1ccc(S(=O)(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000111050185 1411884507 /nfs/dbraw/zinc/88/45/07/1411884507.db2.gz JIGDYQOFLLPGOQ-HNNXBMFYSA-N 0 3 391.493 3.311 20 5 GGBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@H]3[C@H](O)C(F)(F)F)o2)c1 ZINC000111232035 1411896753 /nfs/dbraw/zinc/89/67/53/1411896753.db2.gz XCQZHQLCXKRQDV-BBRMVZONSA-N 0 3 385.342 3.180 20 5 GGBDHN O=C(CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccc(Cl)cc1 ZINC000112656237 1412187796 /nfs/dbraw/zinc/18/77/96/1412187796.db2.gz JHJPZXVMZISNIW-OAHLLOKOSA-N 0 3 389.843 3.158 20 5 GGBDHN COc1ccc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)c1 ZINC000112821343 1412221964 /nfs/dbraw/zinc/22/19/64/1412221964.db2.gz XOQBKIVDBPVDMD-UHFFFAOYSA-N 0 3 393.390 3.086 20 5 GGBDHN C[C@H](NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(NC(N)=O)cc1 ZINC000113351618 1412296541 /nfs/dbraw/zinc/29/65/41/1412296541.db2.gz DJALDRQAAIGCKC-ZDUSSCGKSA-N 0 3 394.435 3.337 20 5 GGBDHN CCOc1ccccc1CN(C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000114725059 1412511567 /nfs/dbraw/zinc/51/15/67/1412511567.db2.gz WXNOTSGMLQXLNR-UHFFFAOYSA-N 0 3 387.436 3.463 20 5 GGBDHN CCOc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C)o2)cc1[N+](=O)[O-] ZINC000115671930 1412756407 /nfs/dbraw/zinc/75/64/07/1412756407.db2.gz DGNVDAKBIWCGLE-UHFFFAOYSA-N 0 3 375.425 3.099 20 5 GGBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000177334498 1428695891 /nfs/dbraw/zinc/69/58/91/1428695891.db2.gz OZCPEBZLTXHTQT-UHFFFAOYSA-N 0 3 379.420 3.403 20 5 GGBDHN O=C(CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1cccc(Cl)c1 ZINC000118866180 1413253205 /nfs/dbraw/zinc/25/32/05/1413253205.db2.gz YKSAMOPHIWWERJ-OAHLLOKOSA-N 0 3 389.843 3.158 20 5 GGBDHN Cc1ccc([C@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)N(C)C)cc1 ZINC000119234080 1413383961 /nfs/dbraw/zinc/38/39/61/1413383961.db2.gz CDYCXOPFCGOQLN-FQEVSTJZSA-N 0 3 380.448 3.346 20 5 GGBDHN COC(=O)[C@H](C)[C@H](NCCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000177417451 1428727782 /nfs/dbraw/zinc/72/77/82/1428727782.db2.gz CMTKRWNASNPDIJ-QRWLVFNGSA-N 0 3 399.447 3.372 20 5 GGBDHN COC(=O)[C@@H](C)[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000177418724 1428728404 /nfs/dbraw/zinc/72/84/04/1428728404.db2.gz RPXAQBJTWGUIGZ-YWZLYKJASA-N 0 3 399.447 3.372 20 5 GGBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000119721214 1413544929 /nfs/dbraw/zinc/54/49/29/1413544929.db2.gz UXHTVCADABFCAC-SJCJKPOMSA-N 0 3 375.375 3.123 20 5 GGBDHN COc1cc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)ccc1[N+](=O)[O-] ZINC000119724222 1413545565 /nfs/dbraw/zinc/54/55/65/1413545565.db2.gz FFWYXAOLAKZIPB-LJQANCHMSA-N 0 3 383.448 3.479 20 5 GGBDHN CN(C)CCN(Cc1ccccc1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000119885120 1413604555 /nfs/dbraw/zinc/60/45/55/1413604555.db2.gz PNKVNTFCSOQANS-UHFFFAOYSA-N 0 3 380.448 3.209 20 5 GGBDHN O=C(CCc1cccc([N+](=O)[O-])c1)NCC1(N2CCSCC2)CCCC1 ZINC000119921047 1413617585 /nfs/dbraw/zinc/61/75/85/1413617585.db2.gz GAHYGCZMXGGEKI-UHFFFAOYSA-N 0 3 377.510 3.005 20 5 GGBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000119941647 1413625332 /nfs/dbraw/zinc/62/53/32/1413625332.db2.gz LGYYYXNCDQSWFV-PXAZEXFGSA-N 0 3 375.375 3.123 20 5 GGBDHN COCCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)CC1 ZINC000119995313 1413646186 /nfs/dbraw/zinc/64/61/86/1413646186.db2.gz HYLJWPHNKHGRNB-UHFFFAOYSA-N 0 3 395.525 3.184 20 5 GGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)c1 ZINC000120717659 1413883790 /nfs/dbraw/zinc/88/37/90/1413883790.db2.gz SDXBKAULVYQLBC-UHFFFAOYSA-N 0 3 383.448 3.360 20 5 GGBDHN CC(C)NS(=O)(=O)Cc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000120822187 1413915302 /nfs/dbraw/zinc/91/53/02/1413915302.db2.gz JTJHVOSXXRCVIZ-HNNXBMFYSA-N 0 3 391.493 3.273 20 5 GGBDHN CC(C)NS(=O)(=O)Cc1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000120822326 1413915465 /nfs/dbraw/zinc/91/54/65/1413915465.db2.gz JTJHVOSXXRCVIZ-OAHLLOKOSA-N 0 3 391.493 3.273 20 5 GGBDHN C[C@H]1CN(Cc2ccccc2)CCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000120996369 1413971390 /nfs/dbraw/zinc/97/13/90/1413971390.db2.gz YFSBWVOFGJDQTC-SFHVURJKSA-N 0 3 396.491 3.154 20 5 GGBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000121026961 1413981072 /nfs/dbraw/zinc/98/10/72/1413981072.db2.gz QHGLFXLKPRDAJS-QGZVFWFLSA-N 0 3 382.464 3.130 20 5 GGBDHN CC(C)N1CCN(c2cccc(NC(=O)COc3cccc([N+](=O)[O-])c3)c2)CC1 ZINC000122249479 1414401093 /nfs/dbraw/zinc/40/10/93/1414401093.db2.gz NNFINGOYJKALIU-UHFFFAOYSA-N 0 3 398.463 3.143 20 5 GGBDHN Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000122531950 1414492091 /nfs/dbraw/zinc/49/20/91/1414492091.db2.gz YJFKJDRXZQHNCE-QGZVFWFLSA-N 0 3 398.419 3.378 20 5 GGBDHN O=C(NCCCN1CCc2ccccc2C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000122757078 1414557791 /nfs/dbraw/zinc/55/77/91/1414557791.db2.gz JIKAVRQHRHPPID-UHFFFAOYSA-N 0 3 390.443 3.321 20 5 GGBDHN COc1cc(CNC[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000124297029 1414932296 /nfs/dbraw/zinc/93/22/96/1414932296.db2.gz QVIZFZYKILUANR-RISCZKNCSA-N 0 3 392.374 3.185 20 5 GGBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000177759351 1428851679 /nfs/dbraw/zinc/85/16/79/1428851679.db2.gz PCQIRUVZMPGOSL-ZBFHGGJFSA-N 0 3 386.477 3.417 20 5 GGBDHN O=[N+]([O-])c1ccc(-c2ncn(CN3CCCN(Cc4ccccc4)CC3)n2)cc1 ZINC000126152324 1415370884 /nfs/dbraw/zinc/37/08/84/1415370884.db2.gz YSUOPLZZPGBMLC-UHFFFAOYSA-N 0 3 392.463 3.019 20 5 GGBDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000126778458 1415556488 /nfs/dbraw/zinc/55/64/88/1415556488.db2.gz HFBVMOHFSWKRIA-UHFFFAOYSA-N 0 3 378.379 3.469 20 5 GGBDHN O=C(NC[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000178045030 1428954308 /nfs/dbraw/zinc/95/43/08/1428954308.db2.gz BMAGMNOLCBVDFD-KRWDZBQOSA-N 0 3 383.448 3.116 20 5 GGBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000126985646 1415626011 /nfs/dbraw/zinc/62/60/11/1415626011.db2.gz LMLCPJGTGUDVCF-RMKNXTFCSA-N 0 3 395.459 3.451 20 5 GGBDHN Cc1c(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)cccc1[N+](=O)[O-] ZINC000126990460 1415628099 /nfs/dbraw/zinc/62/80/99/1415628099.db2.gz NOLGDCDXLJXRBF-UHFFFAOYSA-N 0 3 383.448 3.360 20 5 GGBDHN C[C@H]1C[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CN1Cc1ccccc1 ZINC000127056539 1415649358 /nfs/dbraw/zinc/64/93/58/1415649358.db2.gz DEEODHARPYWTLG-YJBOKZPZSA-N 0 3 392.459 3.398 20 5 GGBDHN Cc1cccc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)c1[N+](=O)[O-] ZINC000127062448 1415650659 /nfs/dbraw/zinc/65/06/59/1415650659.db2.gz GGPNTAFNTJCTFY-UHFFFAOYSA-N 0 3 383.448 3.360 20 5 GGBDHN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)c1 ZINC000127072869 1415654995 /nfs/dbraw/zinc/65/49/95/1415654995.db2.gz ULAXGAIRSKKKQJ-UHFFFAOYSA-N 0 3 399.447 3.060 20 5 GGBDHN Cc1nccn1CCCN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000127335004 1415741925 /nfs/dbraw/zinc/74/19/25/1415741925.db2.gz FJZKDIPBXFKNTN-UHFFFAOYSA-N 0 3 397.401 3.331 20 5 GGBDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000127817284 1415856660 /nfs/dbraw/zinc/85/66/60/1415856660.db2.gz RITHJPJYVFWUDG-LJQANCHMSA-N 0 3 382.464 3.425 20 5 GGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000178241728 1429028770 /nfs/dbraw/zinc/02/87/70/1429028770.db2.gz YZIMGKBWVPYXDC-CALCHBBNSA-N 0 3 389.496 3.255 20 5 GGBDHN Cc1cc(C(=O)N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)cc([N+](=O)[O-])c1 ZINC000178246877 1429031416 /nfs/dbraw/zinc/03/14/16/1429031416.db2.gz AGTPTFQBAIKWFM-IRXDYDNUSA-N 0 3 389.496 3.255 20 5 GGBDHN C[C@H]1CN(CCC2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C[C@H](C)O1 ZINC000178233304 1429025498 /nfs/dbraw/zinc/02/54/98/1429025498.db2.gz OBESSMBQKAEETM-KBPBESRZSA-N 0 3 381.498 3.008 20 5 GGBDHN Cc1cc(C(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)cc([N+](=O)[O-])c1 ZINC000178246848 1429031568 /nfs/dbraw/zinc/03/15/68/1429031568.db2.gz AGTPTFQBAIKWFM-CALCHBBNSA-N 0 3 389.496 3.255 20 5 GGBDHN Cc1cccc(C(=O)N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000178246410 1429031599 /nfs/dbraw/zinc/03/15/99/1429031599.db2.gz CIAWPSMLYOQRNE-IAGOWNOFSA-N 0 3 389.496 3.255 20 5 GGBDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000128942427 1416109522 /nfs/dbraw/zinc/10/95/22/1416109522.db2.gz OCBXVJLWNYJRSS-UHFFFAOYSA-N 0 3 391.418 3.396 20 5 GGBDHN C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@H]1CN(C)CCO1 ZINC000129339959 1416193998 /nfs/dbraw/zinc/19/39/98/1416193998.db2.gz IEGIODPSMZDZFV-KPZWWZAWSA-N 0 3 379.844 3.317 20 5 GGBDHN CC(=O)Nc1cccc([C@@H](C)NCCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC000129731911 1416255071 /nfs/dbraw/zinc/25/50/71/1416255071.db2.gz WQNIRQIJFBYLQQ-GFCCVEGCSA-N 0 3 388.399 3.372 20 5 GGBDHN CN(C)CCN(Cc1ccccn1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000130082592 1416314311 /nfs/dbraw/zinc/31/43/11/1416314311.db2.gz LNHOIEIDWJGQDC-UHFFFAOYSA-N 0 3 396.369 3.213 20 5 GGBDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000131014657 1416496054 /nfs/dbraw/zinc/49/60/54/1416496054.db2.gz VUEYQVIYMPEPLB-HNNXBMFYSA-N 0 3 379.420 3.394 20 5 GGBDHN COc1ccc(C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000131966951 1416661664 /nfs/dbraw/zinc/66/16/64/1416661664.db2.gz OKICQJRCRGRBGM-INIZCTEOSA-N 0 3 383.448 3.340 20 5 GGBDHN CC(C)NS(=O)(=O)Cc1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178650007 1429129061 /nfs/dbraw/zinc/12/90/61/1429129061.db2.gz GWPZADUBDRCDEF-HNNXBMFYSA-N 0 3 391.493 3.273 20 5 GGBDHN CCN1CCN(Cc2ccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])cc2)CC1 ZINC000132856423 1416823637 /nfs/dbraw/zinc/82/36/37/1416823637.db2.gz LHAOXWJHZVJQEQ-UHFFFAOYSA-N 0 3 386.427 3.124 20 5 GGBDHN CCOC(=O)c1ccnc(NC[C@@H](c2cccs2)N2CCCC2)c1[N+](=O)[O-] ZINC000133145891 1416857211 /nfs/dbraw/zinc/85/72/11/1416857211.db2.gz ZHVUQLDWMQDWSL-AWEZNQCLSA-N 0 3 390.465 3.477 20 5 GGBDHN CCOC(=O)c1ccnc(N[C@@H](CN2CCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000133297107 1416875979 /nfs/dbraw/zinc/87/59/79/1416875979.db2.gz AMDPBKANLNLPGN-KRWDZBQOSA-N 0 3 384.436 3.416 20 5 GGBDHN CCOC(=O)c1ccnc(N[C@H](CN2CCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000133297303 1416875983 /nfs/dbraw/zinc/87/59/83/1416875983.db2.gz AMDPBKANLNLPGN-QGZVFWFLSA-N 0 3 384.436 3.416 20 5 GGBDHN CC(C)N1CCN(c2ccc(C(=O)NCCc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000133302644 1416876601 /nfs/dbraw/zinc/87/66/01/1416876601.db2.gz KFVBIOYYCSLTHJ-UHFFFAOYSA-N 0 3 396.491 3.098 20 5 GGBDHN O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000133676313 1416937716 /nfs/dbraw/zinc/93/77/16/1416937716.db2.gz UOBNRDBMDCKQMB-CYBMUJFWSA-N 0 3 377.441 3.437 20 5 GGBDHN O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000133676521 1416938049 /nfs/dbraw/zinc/93/80/49/1416938049.db2.gz UOBNRDBMDCKQMB-ZDUSSCGKSA-N 0 3 377.441 3.437 20 5 GGBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCCCN1CCc2ccccc2C1 ZINC000134166067 1417031953 /nfs/dbraw/zinc/03/19/53/1417031953.db2.gz CLMFSEGWGOGXOT-UHFFFAOYSA-N 0 3 392.459 3.183 20 5 GGBDHN C[C@H]1CN(CCC2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000134474583 1417074271 /nfs/dbraw/zinc/07/42/71/1417074271.db2.gz QYYQPZLZKMBSMR-GJZGRUSLSA-N 0 3 393.459 3.085 20 5 GGBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@H]1CCCN1Cc1ccccc1 ZINC000134824743 1417131975 /nfs/dbraw/zinc/13/19/75/1417131975.db2.gz SVMJHSBOXJSIKT-LJQANCHMSA-N 0 3 392.459 3.399 20 5 GGBDHN C[C@H]1CN(CC2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC2)C[C@H](C)O1 ZINC000136849081 1417350277 /nfs/dbraw/zinc/35/02/77/1417350277.db2.gz LFFMOMARRGNCFA-KBPBESRZSA-N 0 3 395.887 3.210 20 5 GGBDHN COc1cccc(CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]2CCCO2)c1 ZINC000137004962 1417361686 /nfs/dbraw/zinc/36/16/86/1417361686.db2.gz XUZOAHAJICEMPT-SFTDATJTSA-N 0 3 386.448 3.318 20 5 GGBDHN COc1cccc(CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]2CCCO2)c1 ZINC000137005013 1417361863 /nfs/dbraw/zinc/36/18/63/1417361863.db2.gz XUZOAHAJICEMPT-RTWAWAEBSA-N 0 3 386.448 3.318 20 5 GGBDHN C[C@@H]1C[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000137447740 1417385687 /nfs/dbraw/zinc/38/56/87/1417385687.db2.gz RNTYKRNOSFFSQL-SJLPKXTDSA-N 0 3 383.448 3.143 20 5 GGBDHN COc1cc(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000137458413 1417387266 /nfs/dbraw/zinc/38/72/66/1417387266.db2.gz AKAXIQVAFWKAQI-GOEBONIOSA-N 0 3 399.447 3.005 20 5 GGBDHN Cc1ccccc1CN1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000138573552 1417426424 /nfs/dbraw/zinc/42/64/24/1417426424.db2.gz OSNLTVOXRMUVOL-UHFFFAOYSA-N 0 3 382.464 3.050 20 5 GGBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000139187779 1417451411 /nfs/dbraw/zinc/45/14/11/1417451411.db2.gz RRZOEDFBZXLEAC-AEFFLSMTSA-N 0 3 383.448 3.315 20 5 GGBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)c1 ZINC000139927920 1417481061 /nfs/dbraw/zinc/48/10/61/1417481061.db2.gz ACNWYEYGLPUOND-CQSZACIVSA-N 0 3 389.477 3.307 20 5 GGBDHN O=C(CN1CCN(C2CCCCC2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000141780532 1417555979 /nfs/dbraw/zinc/55/59/79/1417555979.db2.gz JRIUARCQPQHTPI-UHFFFAOYSA-N 0 3 380.876 3.137 20 5 GGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)C[C@@H]1COc2ccccc2O1 ZINC000150136751 1417785218 /nfs/dbraw/zinc/78/52/18/1417785218.db2.gz KAEATUODMHUQBZ-MRXNPFEDSA-N 0 3 385.420 3.004 20 5 GGBDHN COc1ccc(-c2ccc(CN[C@@H](C)CO[C@H]3CCOC3)o2)c([N+](=O)[O-])c1 ZINC000151252622 1417904394 /nfs/dbraw/zinc/90/43/94/1417904394.db2.gz AJPPJCSOFUBVEM-BBRMVZONSA-N 0 3 376.409 3.147 20 5 GGBDHN COc1cccc([C@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)N2CCCC2)c1 ZINC000151287052 1417915582 /nfs/dbraw/zinc/91/55/82/1417915582.db2.gz KEGDEMSVGRXPQC-NRFANRHFSA-N 0 3 397.475 3.489 20 5 GGBDHN COc1cccc(-c2nn(C(C)(C)C)cc2CNCCn2cc([N+](=O)[O-])cn2)c1 ZINC000151292406 1417917500 /nfs/dbraw/zinc/91/75/00/1417917500.db2.gz PKIMGEYECKDVLT-UHFFFAOYSA-N 0 3 398.467 3.208 20 5 GGBDHN CC(C)NC(=O)c1ccc(NCCCCN2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000151973735 1418109574 /nfs/dbraw/zinc/10/95/74/1418109574.db2.gz SLJSDZQQXSQYEY-HZPDHXFCSA-N 0 3 392.500 3.034 20 5 GGBDHN O=C1c2ccccc2C(=O)N1CCCCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000152220679 1418176477 /nfs/dbraw/zinc/17/64/77/1418176477.db2.gz DMRZPEPWEOMLEF-UHFFFAOYSA-N 0 3 387.823 3.414 20 5 GGBDHN CN(C)CCN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1CCCCC1 ZINC000179270662 1429309804 /nfs/dbraw/zinc/30/98/04/1429309804.db2.gz XRNPLAOLGUCYBL-UHFFFAOYSA-N 0 3 385.468 3.117 20 5 GGBDHN CCOc1ccc([C@H](C)NCc2ccc(Cn3cncn3)cc2)cc1[N+](=O)[O-] ZINC000179396850 1429358315 /nfs/dbraw/zinc/35/83/15/1429358315.db2.gz YQBOGTJOCWTOOW-HNNXBMFYSA-N 0 3 381.436 3.484 20 5 GGBDHN CCOc1ccc([C@H](C)NCCNC(=O)c2ccccc2F)cc1[N+](=O)[O-] ZINC000179404952 1429360959 /nfs/dbraw/zinc/36/09/59/1429360959.db2.gz PANYTRRTRJADEV-ZDUSSCGKSA-N 0 3 375.400 3.213 20 5 GGBDHN CCOc1ccc([C@@H](C)NCCNC(=O)c2ccccc2F)cc1[N+](=O)[O-] ZINC000179404940 1429361371 /nfs/dbraw/zinc/36/13/71/1429361371.db2.gz PANYTRRTRJADEV-CYBMUJFWSA-N 0 3 375.400 3.213 20 5 GGBDHN CC1(CNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)OCCO1 ZINC000179555456 1429429404 /nfs/dbraw/zinc/42/94/04/1429429404.db2.gz APBFEDIDNIAKNX-UHFFFAOYSA-N 0 3 394.431 3.300 20 5 GGBDHN Cc1c(CN[C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cccc1[N+](=O)[O-] ZINC000179655618 1429492377 /nfs/dbraw/zinc/49/23/77/1429492377.db2.gz ZSMXFWOFURJEAS-OAHLLOKOSA-N 0 3 383.448 3.411 20 5 GGBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000179712130 1429517815 /nfs/dbraw/zinc/51/78/15/1429517815.db2.gz QHPDQFSFGRCOMV-CQSZACIVSA-N 0 3 375.856 3.427 20 5 GGBDHN C[C@@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000179742661 1429532688 /nfs/dbraw/zinc/53/26/88/1429532688.db2.gz XEFPWUIVXRIIRR-XCLFUZPHSA-N 0 3 397.431 3.434 20 5 GGBDHN C[C@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000179742611 1429532707 /nfs/dbraw/zinc/53/27/07/1429532707.db2.gz XEFPWUIVXRIIRR-RNODOKPDSA-N 0 3 397.431 3.434 20 5 GGBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](COc2ccccc2Cl)C1 ZINC000152619272 1422170133 /nfs/dbraw/zinc/17/01/33/1422170133.db2.gz MICNXMQYAWSUPZ-HNNXBMFYSA-N 0 3 391.855 3.201 20 5 GGBDHN COc1cc(CNC[C@@]2(C)CCCO2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000152943891 1422303481 /nfs/dbraw/zinc/30/34/81/1422303481.db2.gz OQJFVSTXTFFFAY-OAHLLOKOSA-N 0 3 378.347 3.203 20 5 GGBDHN COc1cc(CNC[C@]2(C)CCCO2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000152943963 1422303874 /nfs/dbraw/zinc/30/38/74/1422303874.db2.gz OQJFVSTXTFFFAY-HNNXBMFYSA-N 0 3 378.347 3.203 20 5 GGBDHN CC1CCC(N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]2CCCO2)CC1 ZINC000152977299 1422314219 /nfs/dbraw/zinc/31/42/19/1422314219.db2.gz FXZMCBOZCGZJBO-IUPXNIOVSA-N 0 3 375.469 3.253 20 5 GGBDHN O=C(Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000153006952 1422323964 /nfs/dbraw/zinc/32/39/64/1422323964.db2.gz DOQUAKRHZWZJDT-IBGZPJMESA-N 0 3 391.431 3.491 20 5 GGBDHN O=C(Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000153019042 1422328000 /nfs/dbraw/zinc/32/80/00/1422328000.db2.gz KWMMSOBTVZEEKR-KRWDZBQOSA-N 0 3 391.431 3.491 20 5 GGBDHN O=C(Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000153059123 1422343128 /nfs/dbraw/zinc/34/31/28/1422343128.db2.gz LABFAYZXQOJGIU-IBGZPJMESA-N 0 3 391.431 3.491 20 5 GGBDHN Cc1c([C@@H](C)NCCOc2ccc(S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000153109763 1422359707 /nfs/dbraw/zinc/35/97/07/1422359707.db2.gz LLIPOMYZBFUKSL-CQSZACIVSA-N 0 3 378.450 3.036 20 5 GGBDHN CCOc1ccc([C@H](C)NC[C@H](O)COc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000153633617 1422661625 /nfs/dbraw/zinc/66/16/25/1422661625.db2.gz LQPBCOANBVOFLY-JSGCOSHPSA-N 0 3 396.390 3.362 20 5 GGBDHN CN(c1ncc(Cl)cc1[N+](=O)[O-])C1CCN(CCc2ccccn2)CC1 ZINC000153656787 1422682923 /nfs/dbraw/zinc/68/29/23/1422682923.db2.gz GXKNXNQOOUPQLV-UHFFFAOYSA-N 0 3 375.860 3.182 20 5 GGBDHN Cc1cc(NC(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000153842317 1422793714 /nfs/dbraw/zinc/79/37/14/1422793714.db2.gz ILXKPLGHWIRVBX-HZPDHXFCSA-N 0 3 390.484 3.256 20 5 GGBDHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154640409 1422978622 /nfs/dbraw/zinc/97/86/22/1422978622.db2.gz VAPLUXGFNXAAAA-KYJSFNMBSA-N 0 3 393.484 3.253 20 5 GGBDHN COc1cc(CN2CCN(CC(C)C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179886433 1429625134 /nfs/dbraw/zinc/62/51/34/1429625134.db2.gz FHNZDJAGMJPJDI-UHFFFAOYSA-N 0 3 387.427 3.021 20 5 GGBDHN Cc1ccc([C@@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)N(C)C)cc1 ZINC000155209798 1423247701 /nfs/dbraw/zinc/24/77/01/1423247701.db2.gz IUBGJWLPWNTRQO-HXUWFJFHSA-N 0 3 382.464 3.274 20 5 GGBDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000155258243 1423281639 /nfs/dbraw/zinc/28/16/39/1423281639.db2.gz NJPFIRPFXKTLEQ-HNNXBMFYSA-N 0 3 393.447 3.208 20 5 GGBDHN COc1ccc(-c2ccc(CN3CCC[C@H](CNC(C)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000155567819 1423422841 /nfs/dbraw/zinc/42/28/41/1423422841.db2.gz MOQOCTLRXGWXBT-OAHLLOKOSA-N 0 3 387.436 3.212 20 5 GGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1cc(F)ccc1OC ZINC000179918896 1429640643 /nfs/dbraw/zinc/64/06/43/1429640643.db2.gz MMUBYUQEMYNHGQ-LBPRGKRZSA-N 0 3 391.399 3.431 20 5 GGBDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000155642030 1423463876 /nfs/dbraw/zinc/46/38/76/1423463876.db2.gz GFTSGVAGHFYRGF-RRGWEWPQSA-N 0 3 380.448 3.345 20 5 GGBDHN Cc1c(CC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000155701092 1423494256 /nfs/dbraw/zinc/49/42/56/1423494256.db2.gz JSKZDDXSMVPDDX-MRXNPFEDSA-N 0 3 382.464 3.183 20 5 GGBDHN COc1ccc(NC(=O)CCN[C@H](C)c2cc(F)ccc2OC)c([N+](=O)[O-])c1 ZINC000179932065 1429648789 /nfs/dbraw/zinc/64/87/89/1429648789.db2.gz ACCBVWGROSKRAI-GFCCVEGCSA-N 0 3 391.399 3.431 20 5 GGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1cc(F)ccc1OC ZINC000179960126 1429663572 /nfs/dbraw/zinc/66/35/72/1429663572.db2.gz MVSMOJRWKCTXHD-LBPRGKRZSA-N 0 3 391.399 3.431 20 5 GGBDHN CN(C)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000179991324 1429679305 /nfs/dbraw/zinc/67/93/05/1429679305.db2.gz LZARPWFONDOJRX-UHFFFAOYSA-N 0 3 379.363 3.188 20 5 GGBDHN CCC[C@H](NCc1cccnc1N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000158489279 1424270488 /nfs/dbraw/zinc/27/04/88/1424270488.db2.gz RWYYTSHIMNTVRN-FQEVSTJZSA-N 0 3 383.496 3.373 20 5 GGBDHN CCC[C@@H](NCc1ccnc(N2CCN(C)CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000159171298 1424434328 /nfs/dbraw/zinc/43/43/28/1424434328.db2.gz WVPLUFSDHSGWDO-HXUWFJFHSA-N 0 3 383.496 3.373 20 5 GGBDHN COc1ccc([C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2C)N2CCCC2)cc1 ZINC000159433148 1424502199 /nfs/dbraw/zinc/50/21/99/1424502199.db2.gz IOPZCOQOSPKLPK-NRFANRHFSA-N 0 3 397.475 3.408 20 5 GGBDHN CCC[C@@H]1CN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CCN1CCOC ZINC000159766245 1424531950 /nfs/dbraw/zinc/53/19/50/1424531950.db2.gz JMFVJPCARRLJDY-OAHLLOKOSA-N 0 3 394.497 3.262 20 5 GGBDHN O=c1ccc([N+](=O)[O-])cn1CCN1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000159777001 1424533571 /nfs/dbraw/zinc/53/35/71/1424533571.db2.gz NOZVQFBKGISPDR-NRFANRHFSA-N 0 3 375.428 3.404 20 5 GGBDHN CCN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000161011932 1424652089 /nfs/dbraw/zinc/65/20/89/1424652089.db2.gz QBKAWVRLZNBKDZ-OAQYLSRUSA-N 0 3 396.491 3.443 20 5 GGBDHN CCN1CCN(Cc2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3C)cc2)CC1 ZINC000161494333 1424695750 /nfs/dbraw/zinc/69/57/50/1424695750.db2.gz BONPRRKMNRKYQT-UHFFFAOYSA-N 0 3 396.491 3.222 20 5 GGBDHN CN(C)[C@@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)Cc1ccccc1 ZINC000162469556 1424856434 /nfs/dbraw/zinc/85/64/34/1424856434.db2.gz XRGASIOOQNVZMT-OAQYLSRUSA-N 0 3 396.491 3.442 20 5 GGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000162529778 1424862290 /nfs/dbraw/zinc/86/22/90/1424862290.db2.gz HNKZIDZLXUSAHG-HZPDHXFCSA-N 0 3 390.484 3.256 20 5 GGBDHN Cc1noc(C2CCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)n1 ZINC000170913681 1425388708 /nfs/dbraw/zinc/38/87/08/1425388708.db2.gz SFXOBXPZOKYGRG-UHFFFAOYSA-N 0 3 383.408 3.363 20 5 GGBDHN Cn1cc(CNCc2ccc3c(c2)OCCO3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171048924 1425454523 /nfs/dbraw/zinc/45/45/23/1425454523.db2.gz DSKPAMDUTHUQSB-UHFFFAOYSA-N 0 3 380.404 3.056 20 5 GGBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000172199625 1425943841 /nfs/dbraw/zinc/94/38/41/1425943841.db2.gz FFBFLIJLYIPBHM-LJQANCHMSA-N 0 3 398.463 3.067 20 5 GGBDHN O=C(CC1(N2CCOCC2)CCCC1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000172415904 1426033387 /nfs/dbraw/zinc/03/33/87/1426033387.db2.gz RHXKJQUEIODOGT-UHFFFAOYSA-N 0 3 389.496 3.069 20 5 GGBDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000172694865 1426147279 /nfs/dbraw/zinc/14/72/79/1426147279.db2.gz QOEWGCNCACWDRV-KRWDZBQOSA-N 0 3 382.464 3.401 20 5 GGBDHN CN(CC(=O)NC[C@@H](c1cccs1)N1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000173132680 1426355722 /nfs/dbraw/zinc/35/57/22/1426355722.db2.gz KHQTWTISNFTPNV-KRWDZBQOSA-N 0 3 388.493 3.046 20 5 GGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(C(F)(F)F)CC1 ZINC000173772958 1426846628 /nfs/dbraw/zinc/84/66/28/1426846628.db2.gz YVNJJQASJYRVNO-UHFFFAOYSA-N 0 3 375.347 3.206 20 5 GGBDHN CCN(CC(=O)Nc1ccccc1[N+](=O)[O-])CC1CCN(c2ccccn2)CC1 ZINC000173972318 1426917475 /nfs/dbraw/zinc/91/74/75/1426917475.db2.gz FDUSETFOYNLZAA-UHFFFAOYSA-N 0 3 397.479 3.167 20 5 GGBDHN Cc1cccc(N2CCN(CCC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000174062545 1426981798 /nfs/dbraw/zinc/98/17/98/1426981798.db2.gz YXNYVTVPAIICFU-GOSISDBHSA-N 0 3 396.491 3.293 20 5 GGBDHN CN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000174210458 1427052684 /nfs/dbraw/zinc/05/26/84/1427052684.db2.gz JXWNELXBIDKZKU-FQEVSTJZSA-N 0 3 382.464 3.401 20 5 GGBDHN C[C@H](N[C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000174376488 1427127678 /nfs/dbraw/zinc/12/76/78/1427127678.db2.gz SEXNJFXUVFQHIL-GJZGRUSLSA-N 0 3 379.420 3.458 20 5 GGBDHN C[C@@H](N[C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000174376513 1427127957 /nfs/dbraw/zinc/12/79/57/1427127957.db2.gz SEXNJFXUVFQHIL-LSDHHAIUSA-N 0 3 379.420 3.458 20 5 GGBDHN O=[N+]([O-])c1cccc(-c2nc(CNCCCOC3CCOCC3)cs2)c1 ZINC000174462755 1427167770 /nfs/dbraw/zinc/16/77/70/1427167770.db2.gz KOJKSHUKHBTEBC-UHFFFAOYSA-N 0 3 377.466 3.394 20 5 GGBDHN C[C@H]1CCN(C(=O)NCc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000175172253 1427581358 /nfs/dbraw/zinc/58/13/58/1427581358.db2.gz KODJADVFATWSMB-KRWDZBQOSA-N 0 3 382.464 3.401 20 5 GGBDHN CN(C)CCN(Cc1cccs1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000175656414 1427846620 /nfs/dbraw/zinc/84/66/20/1427846620.db2.gz DFYVFQJXJLFTRO-UHFFFAOYSA-N 0 3 399.476 3.046 20 5 GGBDHN Cc1c(C(=O)N(CCN(C)C)Cc2cccs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000175657897 1427847175 /nfs/dbraw/zinc/84/71/75/1427847175.db2.gz WJIAFCPOOIUADW-UHFFFAOYSA-N 0 3 392.437 3.077 20 5 GGBDHN Cc1c([N+](=O)[O-])cc(C(=O)N(CCN(C)C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000175664090 1427849180 /nfs/dbraw/zinc/84/91/80/1427849180.db2.gz UBKDXRREJZREMT-UHFFFAOYSA-N 0 3 392.437 3.077 20 5 GGBDHN Cn1cc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(-c2ccccc2)n1 ZINC000180345134 1429841140 /nfs/dbraw/zinc/84/11/40/1429841140.db2.gz FTFSMERCWJVSHV-KRWDZBQOSA-N 0 3 378.436 3.077 20 5 GGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180397666 1429856736 /nfs/dbraw/zinc/85/67/36/1429856736.db2.gz XHHCLDRJUYVVMV-GFCCVEGCSA-N 0 3 388.380 3.191 20 5 GGBDHN COc1ccc(NC(=O)CCN[C@@H](C)c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000180417796 1429863068 /nfs/dbraw/zinc/86/30/68/1429863068.db2.gz KCEBIXGHVIADOP-LBPRGKRZSA-N 0 3 388.380 3.191 20 5 GGBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCCN(CC(F)F)CC3)o2)c1 ZINC000180576333 1429905927 /nfs/dbraw/zinc/90/59/27/1429905927.db2.gz YYKUBSWGUVVLTB-UHFFFAOYSA-N 0 3 380.395 3.065 20 5 GGBDHN COC(=O)[C@H](O)C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000180671399 1429967416 /nfs/dbraw/zinc/96/74/16/1429967416.db2.gz QOMMLYQUBYKDKC-GOSISDBHSA-N 0 3 390.461 3.069 20 5 GGBDHN CCOc1ccc([C@@H](C)NCCNC(=O)c2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000180788075 1430040947 /nfs/dbraw/zinc/04/09/47/1430040947.db2.gz DUGQOJYOBZWBCI-GFCCVEGCSA-N 0 3 393.390 3.352 20 5 GGBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000180947392 1430129246 /nfs/dbraw/zinc/12/92/46/1430129246.db2.gz KHKCPWSSWPCGJP-QGZVFWFLSA-N 0 3 387.461 3.077 20 5 GGBDHN COc1cc(CNCC2(OC)CCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000181075488 1430199544 /nfs/dbraw/zinc/19/95/44/1430199544.db2.gz GJCJZDYEWJJZJY-UHFFFAOYSA-N 0 3 378.347 3.203 20 5 GGBDHN O=C(CN[C@H](C[C@@H]1CCOC1)c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000181193475 1430244278 /nfs/dbraw/zinc/24/42/78/1430244278.db2.gz USUSSRHFDUBACN-OXJNMPFZSA-N 0 3 395.459 3.241 20 5 GGBDHN O=C(CN[C@H](C[C@H]1CCOC1)c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000181193519 1430244375 /nfs/dbraw/zinc/24/43/75/1430244375.db2.gz USUSSRHFDUBACN-OXQOHEQNSA-N 0 3 395.459 3.241 20 5 GGBDHN O=C(CN[C@@H](C[C@H]1CCOC1)c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000181193536 1430244881 /nfs/dbraw/zinc/24/48/81/1430244881.db2.gz USUSSRHFDUBACN-UZLBHIALSA-N 0 3 395.459 3.241 20 5 GGBDHN O=C(CN[C@H](C[C@@H]1CCOC1)c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000181209621 1430248351 /nfs/dbraw/zinc/24/83/51/1430248351.db2.gz ZIFNTVYQWXTHMU-OXJNMPFZSA-N 0 3 395.459 3.241 20 5 GGBDHN COc1ccc(OCCN[C@H](C)c2cccc(N3CCCC3=O)c2)c([N+](=O)[O-])c1 ZINC000181411353 1430291210 /nfs/dbraw/zinc/29/12/10/1430291210.db2.gz AMTPTGQLHOYESN-OAHLLOKOSA-N 0 3 399.447 3.460 20 5 GGBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000182062414 1430404090 /nfs/dbraw/zinc/40/40/90/1430404090.db2.gz MMQZNUGRSURUSP-OAHLLOKOSA-N 0 3 380.448 3.255 20 5 GGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(Nc2ccc(F)cc2)CC1 ZINC000182143136 1430419565 /nfs/dbraw/zinc/41/95/65/1430419565.db2.gz IHQOGXZKWUDNSW-GOSISDBHSA-N 0 3 389.427 3.050 20 5 GGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000182178848 1430425068 /nfs/dbraw/zinc/42/50/68/1430425068.db2.gz MWHXDWKPTOTUMX-HOTGVXAUSA-N 0 3 392.477 3.077 20 5 GGBDHN Cc1cccc(NC2CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000182186029 1430426428 /nfs/dbraw/zinc/42/64/28/1430426428.db2.gz HARKWEDBDSZSDA-IBGZPJMESA-N 0 3 385.464 3.219 20 5 GGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(OCc2ccccc2)CC1 ZINC000182194186 1430427613 /nfs/dbraw/zinc/42/76/13/1430427613.db2.gz LWYUVJPSSLFNQQ-GOSISDBHSA-N 0 3 386.448 3.016 20 5 GGBDHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182557811 1430491867 /nfs/dbraw/zinc/49/18/67/1430491867.db2.gz KFUCCDVCHXCIPU-HNNXBMFYSA-N 0 3 379.420 3.394 20 5 GGBDHN C[C@@H](C(=O)N(CCN(C)C)Cc1cccc(O)c1)c1ccc([N+](=O)[O-])cc1F ZINC000183319085 1430678136 /nfs/dbraw/zinc/67/81/36/1430678136.db2.gz QIFFUACWGVXCRX-CQSZACIVSA-N 0 3 389.427 3.133 20 5 GGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1cccc(-n2cccn2)c1 ZINC000183578261 1430745494 /nfs/dbraw/zinc/74/54/94/1430745494.db2.gz XNVKZZLWOVDWJK-CQSZACIVSA-N 0 3 395.419 3.078 20 5 GGBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183604123 1430752610 /nfs/dbraw/zinc/75/26/10/1430752610.db2.gz QLUGUGFAJNJMPP-UHFFFAOYSA-N 0 3 377.832 3.239 20 5 GGBDHN CCN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000183763206 1430789169 /nfs/dbraw/zinc/78/91/69/1430789169.db2.gz KZEMMOKEUDWQHT-SFHVURJKSA-N 0 3 382.464 3.130 20 5 GGBDHN CCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000183768974 1430789873 /nfs/dbraw/zinc/78/98/73/1430789873.db2.gz QLKARMXTEFJOPT-OAQYLSRUSA-N 0 3 396.491 3.154 20 5 GGBDHN C[C@H](C[S@@](C)=O)NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000184266603 1430864953 /nfs/dbraw/zinc/86/49/53/1430864953.db2.gz HOXSSJMCEVWQKW-WQIZZMQYSA-N 0 3 398.488 3.304 20 5 GGBDHN C[C@@H](C[S@](C)=O)NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000184266551 1430864984 /nfs/dbraw/zinc/86/49/84/1430864984.db2.gz HOXSSJMCEVWQKW-HBIPHATFSA-N 0 3 398.488 3.304 20 5 GGBDHN COc1ccccc1S(=O)(=O)CCCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000184304665 1430871022 /nfs/dbraw/zinc/87/10/22/1430871022.db2.gz IWCLONRWARRTIO-AWEZNQCLSA-N 0 3 378.450 3.118 20 5 GGBDHN C[C@@H](NC(C)(C)CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000184411571 1430884814 /nfs/dbraw/zinc/88/48/14/1430884814.db2.gz XEYYPZZOVYPDHS-OAHLLOKOSA-N 0 3 391.493 3.144 20 5 GGBDHN C[C@H](NC(C)(C)CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000184411549 1430884820 /nfs/dbraw/zinc/88/48/20/1430884820.db2.gz XEYYPZZOVYPDHS-HNNXBMFYSA-N 0 3 391.493 3.144 20 5 GGBDHN C[C@@H](C(=O)N(CCN(C)C)Cc1cccs1)c1ccc([N+](=O)[O-])cc1F ZINC000184740642 1430960458 /nfs/dbraw/zinc/96/04/58/1430960458.db2.gz BUOVITFEFMHRRA-CYBMUJFWSA-N 0 3 379.457 3.489 20 5 GGBDHN CCc1cc(N[C@H](C)CCN2CCN(C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000184826335 1430992278 /nfs/dbraw/zinc/99/22/78/1430992278.db2.gz WZOHHTJUSQQSBB-MRXNPFEDSA-N 0 3 398.511 3.052 20 5 GGBDHN CCc1cc(N[C@@H](C)CCN2CCN(C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000184826319 1430992392 /nfs/dbraw/zinc/99/23/92/1430992392.db2.gz WZOHHTJUSQQSBB-INIZCTEOSA-N 0 3 398.511 3.052 20 5 GGBDHN CCN1CCN(c2cccc(NC(=O)NCc3ccccc3[N+](=O)[O-])c2)CC1 ZINC000184912278 1431019271 /nfs/dbraw/zinc/01/92/71/1431019271.db2.gz RPWSMQAKOOMSHL-UHFFFAOYSA-N 0 3 383.452 3.058 20 5 GGBDHN COc1cccc(N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000185532004 1431165455 /nfs/dbraw/zinc/16/54/55/1431165455.db2.gz YRDZIEARRYCDJI-HOTGVXAUSA-N 0 3 377.485 3.319 20 5 GGBDHN COc1ccc(NC(=O)[C@H](C)N[C@H](C)[C@@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC000185607856 1431182425 /nfs/dbraw/zinc/18/24/25/1431182425.db2.gz PEKSXWKYMSRUDV-WWGRRREGSA-N 0 3 385.420 3.085 20 5 GGBDHN CCOc1ccc(NC(=O)CN[C@H](C)[C@@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC000185631435 1431189131 /nfs/dbraw/zinc/18/91/31/1431189131.db2.gz JIHFCINSQRODOK-CJNGLKHVSA-N 0 3 385.420 3.086 20 5 GGBDHN CN(C)[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000186016049 1431311878 /nfs/dbraw/zinc/31/18/78/1431311878.db2.gz WBOLGDFQGUMSLL-QGZVFWFLSA-N 0 3 376.844 3.350 20 5 GGBDHN CC[C@@H](NCc1ccc(N2CCCS2(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000186034020 1431315979 /nfs/dbraw/zinc/31/59/79/1431315979.db2.gz WKXAMPQOZJWJIU-LJQANCHMSA-N 0 3 389.477 3.376 20 5 GGBDHN CSc1cccc(C(=O)NCCCN2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000186119495 1431334371 /nfs/dbraw/zinc/33/43/71/1431334371.db2.gz QHWNTUOZZZRMMR-UHFFFAOYSA-N 0 3 385.489 3.495 20 5 GGBDHN CCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000186298215 1431374933 /nfs/dbraw/zinc/37/49/33/1431374933.db2.gz ZXRTUAVRPUUUJT-SFHVURJKSA-N 0 3 383.448 3.340 20 5 GGBDHN CCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000186335923 1431386229 /nfs/dbraw/zinc/38/62/29/1431386229.db2.gz WPTPCJMTEOWBRR-GOSISDBHSA-N 0 3 383.448 3.340 20 5 GGBDHN O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1nnc(COc2ccccc2)[n-]1)C1CC1 ZINC000186434739 1431418820 /nfs/dbraw/zinc/41/88/20/1431418820.db2.gz BZVKMGBGYQUIRY-GOSISDBHSA-N 0 3 393.447 3.403 20 5 GGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@]2(C1)OCc1ccccc12 ZINC000186663152 1431484811 /nfs/dbraw/zinc/48/48/11/1431484811.db2.gz CHQXRTVOZLOICA-NRFANRHFSA-N 0 3 381.432 3.363 20 5 GGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@]2(C1)OCc1ccccc12 ZINC000186687913 1431492829 /nfs/dbraw/zinc/49/28/29/1431492829.db2.gz ZGSSERUYZJQFGT-OAQYLSRUSA-N 0 3 397.431 3.063 20 5 GGBDHN CCOC(=O)C[C@@](C)(NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000186711853 1431498739 /nfs/dbraw/zinc/49/87/39/1431498739.db2.gz OZXJRSSEOORKRF-QGZVFWFLSA-N 0 3 385.848 3.144 20 5 GGBDHN C[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@H](c1ccccc1)N(C)C ZINC000187241900 1431661717 /nfs/dbraw/zinc/66/17/17/1431661717.db2.gz RYVNTRQFZFBEEN-FOIQADDNSA-N 0 3 393.447 3.202 20 5 GGBDHN COc1cc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)c([N+](=O)[O-])cc1OC ZINC000187253915 1431667672 /nfs/dbraw/zinc/66/76/72/1431667672.db2.gz FPQDCIPPECOQIF-DJJJIMSYSA-N 0 3 387.436 3.033 20 5 GGBDHN COCc1cc([N+](=O)[O-])ccc1NC[C@H](c1ccc(OC)c(OC)c1)N(C)C ZINC000189406232 1432099762 /nfs/dbraw/zinc/09/97/62/1432099762.db2.gz ZJSLWLODMQKCGQ-GOSISDBHSA-N 0 3 389.452 3.473 20 5 GGBDHN COc1cc(C(=O)N(CCN(C)C)Cc2cccc(F)c2)cc([N+](=O)[O-])c1C ZINC000190483017 1432390251 /nfs/dbraw/zinc/39/02/51/1432390251.db2.gz FOJNIYGEIAPBKL-UHFFFAOYSA-N 0 3 389.427 3.255 20 5 GGBDHN CCCn1ccnc1CCCN(C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000191478882 1432668733 /nfs/dbraw/zinc/66/87/33/1432668733.db2.gz XBHRWEUMXHCGCW-UHFFFAOYSA-N 0 3 393.875 3.358 20 5 GGBDHN CCOc1ccc([C@H](C)NCCN2CCc3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000191621718 1432694354 /nfs/dbraw/zinc/69/43/54/1432694354.db2.gz RACMCZIBHUMXGC-HNNXBMFYSA-N 0 3 383.448 3.343 20 5 GGBDHN Cc1cc(NC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)ccc1[N+](=O)[O-] ZINC000191929490 1432758104 /nfs/dbraw/zinc/75/81/04/1432758104.db2.gz QUMXJFLHDXKQHW-IBGZPJMESA-N 0 3 398.463 3.316 20 5 GGBDHN COc1cccc(CN(CCN(C)C)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000191947595 1432763222 /nfs/dbraw/zinc/76/32/22/1432763222.db2.gz LRFRMUDUFWOKFS-UHFFFAOYSA-N 0 3 391.855 3.461 20 5 GGBDHN COc1cccc(CN(CCN(C)C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1 ZINC000191956783 1432767406 /nfs/dbraw/zinc/76/74/06/1432767406.db2.gz HEKPXIMXCLGKJV-UHFFFAOYSA-N 0 3 391.855 3.461 20 5 GGBDHN CCn1nc(C)c([N+](=O)[O-])c1NCCCCN1CCN(c2ccccc2)CC1 ZINC000192509196 1432852643 /nfs/dbraw/zinc/85/26/43/1432852643.db2.gz GCTGDVNODCPULO-UHFFFAOYSA-N 0 3 386.500 3.134 20 5 GGBDHN O=C(NCCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1c(F)cccc1F ZINC000192991722 1432918387 /nfs/dbraw/zinc/91/83/87/1432918387.db2.gz GURSKNLCRMRXFY-KRWDZBQOSA-N 0 3 375.375 3.270 20 5 GGBDHN CN(Cc1ccc(C(F)(F)F)cc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193316186 1432978047 /nfs/dbraw/zinc/97/80/47/1432978047.db2.gz KHPHWFMQTIMXMZ-HNNXBMFYSA-N 0 3 384.354 3.485 20 5 GGBDHN COc1ccc([C@@H](NCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000193344629 1432983045 /nfs/dbraw/zinc/98/30/45/1432983045.db2.gz LKUHCYDGFHSIQR-FQEVSTJZSA-N 0 3 385.420 3.291 20 5 GGBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000193400321 1432991526 /nfs/dbraw/zinc/99/15/26/1432991526.db2.gz IXRSMFMEGPCEAT-IBGZPJMESA-N 0 3 398.463 3.240 20 5 GGBDHN CC[NH+](CC)CCn1ccc2cc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)ccc21 ZINC000193494535 1433008767 /nfs/dbraw/zinc/00/87/67/1433008767.db2.gz PXCWNJXUUUBXGJ-UHFFFAOYSA-N 0 3 397.435 3.244 20 5 GGBDHN COc1ccc(NC(=O)CSCCN(C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000193638466 1433032358 /nfs/dbraw/zinc/03/23/58/1433032358.db2.gz PBDLAXUZSBXKNW-UHFFFAOYSA-N 0 3 389.477 3.407 20 5 GGBDHN O=C1CCc2cc([N+](=O)[O-])c(N3CCCN(Cc4ccccc4)CC3)cc2N1 ZINC000193715460 1433045732 /nfs/dbraw/zinc/04/57/32/1433045732.db2.gz JQYUFQAJISJCSY-UHFFFAOYSA-N 0 3 380.448 3.192 20 5 GGBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000193826594 1433067646 /nfs/dbraw/zinc/06/76/46/1433067646.db2.gz VHAMWEIWMRUQQV-FQEVSTJZSA-N 0 3 382.464 3.274 20 5 GGBDHN O=C1CCc2cc([N+](=O)[O-])c(NCC3(N4CCSCC4)CCCC3)cc2N1 ZINC000193912534 1433083313 /nfs/dbraw/zinc/08/33/13/1433083313.db2.gz XUMGTVNZXMUPNH-UHFFFAOYSA-N 0 3 390.509 3.253 20 5 GGBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000193946177 1433090195 /nfs/dbraw/zinc/09/01/95/1433090195.db2.gz KBKGTMWWZAZXPR-SFHVURJKSA-N 0 3 398.463 3.067 20 5 GGBDHN C[C@H](NC(=O)NCC1(N2CCSCC2)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000194507991 1433189753 /nfs/dbraw/zinc/18/97/53/1433189753.db2.gz JOMFKZSCJOGFDD-HNNXBMFYSA-N 0 3 392.525 3.317 20 5 GGBDHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000194621404 1433206883 /nfs/dbraw/zinc/20/68/83/1433206883.db2.gz IXYKIJKZJUTYJR-UHFFFAOYSA-N 0 3 375.375 3.267 20 5 GGBDHN CN1CCC(N(Cc2ccccc2)C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000194928835 1433266538 /nfs/dbraw/zinc/26/65/38/1433266538.db2.gz NPFLYFCUQQQKQD-UHFFFAOYSA-N 0 3 383.448 3.097 20 5 GGBDHN O=C(Nc1ccccc1O)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000195195825 1433305902 /nfs/dbraw/zinc/30/59/02/1433305902.db2.gz RSLNKINGLIREQF-UHFFFAOYSA-N 0 3 385.420 3.030 20 5 GGBDHN CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000195707488 1433345420 /nfs/dbraw/zinc/34/54/20/1433345420.db2.gz VEOPZYXXNDBXNY-UHFFFAOYSA-N 0 3 391.493 3.128 20 5 GGBDHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000227683837 1433370398 /nfs/dbraw/zinc/37/03/98/1433370398.db2.gz QREWMASUEPZVPB-WBAXXEDZSA-N 0 3 389.452 3.038 20 5 GGBDHN CS(=O)(=O)CCCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000237300453 1433396338 /nfs/dbraw/zinc/39/63/38/1433396338.db2.gz ZJFQVGMYDDCOHL-UHFFFAOYSA-N 0 3 382.413 3.051 20 5 GGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C)C[C@H]1c1ccccc1 ZINC000245667311 1433497047 /nfs/dbraw/zinc/49/70/47/1433497047.db2.gz HHCODJUAWKVEHI-FQEVSTJZSA-N 0 3 382.464 3.221 20 5 GGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000246295201 1433591163 /nfs/dbraw/zinc/59/11/63/1433591163.db2.gz BIRLVSFXLZDNNV-OAGGEKHMSA-N 0 3 395.525 3.081 20 5 GGBDHN CN1CCC(N(Cc2ccco2)C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000248143331 1433774492 /nfs/dbraw/zinc/77/44/92/1433774492.db2.gz QXBPQFHPPFCWBA-UHFFFAOYSA-N 0 3 386.452 3.113 20 5 GGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000248817956 1433823694 /nfs/dbraw/zinc/82/36/94/1433823694.db2.gz LDKOEFYSHKQZST-JENIJYKNSA-N 0 3 391.512 3.169 20 5 GGBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000248877500 1433827203 /nfs/dbraw/zinc/82/72/03/1433827203.db2.gz RHJIMXSZVDERKV-SJLPKXTDSA-N 0 3 383.448 3.000 20 5 GGBDHN C[C@H](NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000248929922 1433829645 /nfs/dbraw/zinc/82/96/45/1433829645.db2.gz XQLUJQJNGIZZPB-GQIGUUNPSA-N 0 3 382.464 3.476 20 5 GGBDHN COc1cc(CN[C@@H]2C[C@H]3OCCC[C@@H]23)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000249767221 1433851624 /nfs/dbraw/zinc/85/16/24/1433851624.db2.gz ISQKNUZJSGPMQU-OUCADQQQSA-N 0 3 390.358 3.202 20 5 GGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN(Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000255036232 1433874779 /nfs/dbraw/zinc/87/47/79/1433874779.db2.gz HTMJYGLXPIAMCT-SJLPKXTDSA-N 0 3 392.477 3.077 20 5 GGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000255196115 1433878325 /nfs/dbraw/zinc/87/83/25/1433878325.db2.gz LVHFVFGOIXTRID-DOTOQJQBSA-N 0 3 397.431 3.355 20 5 GGBDHN Cc1cc(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000255958657 1433892811 /nfs/dbraw/zinc/89/28/11/1433892811.db2.gz MAGLVXBIOBSGDZ-NRFANRHFSA-N 0 3 396.491 3.012 20 5 GGBDHN C[C@H]1CN(CC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)C[C@H](C)O1 ZINC000263774641 1434032112 /nfs/dbraw/zinc/03/21/12/1434032112.db2.gz MRHLLCQPMKCKDZ-KBPBESRZSA-N 0 3 395.887 3.210 20 5 GGBDHN C[C@@H]1CN(CC2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000263848817 1434041387 /nfs/dbraw/zinc/04/13/87/1434041387.db2.gz YBMVMJBDSJIVIM-ZIAGYGMSSA-N 0 3 395.887 3.210 20 5 GGBDHN CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCN(CCc2ccccn2)CC1 ZINC000264094491 1434071313 /nfs/dbraw/zinc/07/13/13/1434071313.db2.gz OFKALOYWGZHLIO-UHFFFAOYSA-N 0 3 383.452 3.161 20 5 GGBDHN CC(C)C(=O)NC1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000264207016 1434082371 /nfs/dbraw/zinc/08/23/71/1434082371.db2.gz RITUECNSIVYIRO-UHFFFAOYSA-N 0 3 386.452 3.029 20 5 GGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC2CCN(CC(F)(F)F)CC2)c1 ZINC000264543780 1434126188 /nfs/dbraw/zinc/12/61/88/1434126188.db2.gz SNDMUPGCUWWNAS-UHFFFAOYSA-N 0 3 383.317 3.313 20 5 GGBDHN CN(C)CCN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000265309776 1434216022 /nfs/dbraw/zinc/21/60/22/1434216022.db2.gz RMPBMBORIJLYIZ-UHFFFAOYSA-N 0 3 386.452 3.185 20 5 GGBDHN COc1cc(CNC[C@H](C)C[C@@H](C)O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000265840445 1434271023 /nfs/dbraw/zinc/27/10/23/1434271023.db2.gz GGTVDYUXQPWWSH-GHMZBOCLSA-N 0 3 380.363 3.041 20 5 GGBDHN COc1cc(CNC[C@@H](C)C[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000265840449 1434271155 /nfs/dbraw/zinc/27/11/55/1434271155.db2.gz GGTVDYUXQPWWSH-QWRGUYRKSA-N 0 3 380.363 3.041 20 5 GGBDHN CN(C)[C@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)c1cccs1 ZINC000266085043 1434302318 /nfs/dbraw/zinc/30/23/18/1434302318.db2.gz CEFQYQUXLYKJJF-OAHLLOKOSA-N 0 3 376.438 3.328 20 5 GGBDHN CC[C@H](CCO)CNCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000268005148 1434486207 /nfs/dbraw/zinc/48/62/07/1434486207.db2.gz CGWQWMOBHKPGDD-LLVKDONJSA-N 0 3 380.363 3.043 20 5 GGBDHN Cc1nc([C@@H]2CCCN([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n[nH]1 ZINC000268423896 1434521603 /nfs/dbraw/zinc/52/16/03/1434521603.db2.gz DISAKOLABMXONB-BXUZGUMPSA-N 0 3 383.412 3.012 20 5 GGBDHN Cc1n[nH]c([C@@H]2CCCN([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000268423896 1434521605 /nfs/dbraw/zinc/52/16/05/1434521605.db2.gz DISAKOLABMXONB-BXUZGUMPSA-N 0 3 383.412 3.012 20 5 GGBDHN Cc1nnc([C@@H]2CCCN([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)[nH]1 ZINC000268423896 1434521607 /nfs/dbraw/zinc/52/16/07/1434521607.db2.gz DISAKOLABMXONB-BXUZGUMPSA-N 0 3 383.412 3.012 20 5 GGBDHN Cc1c([C@@H](C)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)cccc1[N+](=O)[O-] ZINC000268834251 1434562438 /nfs/dbraw/zinc/56/24/38/1434562438.db2.gz RVUAYNAFVVLLEG-QGZVFWFLSA-N 0 3 396.491 3.142 20 5 GGBDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268938061 1434573014 /nfs/dbraw/zinc/57/30/14/1434573014.db2.gz ZGOOPBMBQCQLOV-LIRRHRJNSA-N 0 3 380.448 3.392 20 5 GGBDHN CC(C)c1n[nH]c(C(=O)NC[C@H](c2cccs2)N2CCCC2)c1[N+](=O)[O-] ZINC000269419606 1434642418 /nfs/dbraw/zinc/64/24/18/1434642418.db2.gz XDDSJQLJEJFBRT-GFCCVEGCSA-N 0 3 377.470 3.070 20 5 GGBDHN COc1cc([C@H](C)NC[C@@H](O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC ZINC000269692283 1434669542 /nfs/dbraw/zinc/66/95/42/1434669542.db2.gz VKLZTFUJIHJDCE-BLLLJJGKSA-N 0 3 376.409 3.005 20 5 GGBDHN CCOc1ccc([C@H](C)NCc2ccc(NS(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000271137532 1434804159 /nfs/dbraw/zinc/80/41/59/1434804159.db2.gz NMIAPSNDIOUBFF-ZDUSSCGKSA-N 0 3 393.465 3.216 20 5 GGBDHN CCS(=O)(=O)c1ccc([C@H](C)NCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000271455594 1434826229 /nfs/dbraw/zinc/82/62/29/1434826229.db2.gz JAUJWYCAQIXPEU-AWEZNQCLSA-N 0 3 378.450 3.118 20 5 GGBDHN CCC[C@@H](CCO)CNCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272482961 1434899354 /nfs/dbraw/zinc/89/93/54/1434899354.db2.gz SXXKMVPEMZSQFD-LBPRGKRZSA-N 0 3 376.400 3.136 20 5 GGBDHN COc1cc(CN2CCC[C@@]2(C)CCCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000272598119 1434912867 /nfs/dbraw/zinc/91/28/67/1434912867.db2.gz OGTIXKYQGGTRTL-SFHVURJKSA-N 0 3 388.411 3.374 20 5 GGBDHN C[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@@H]1CCCN(C2CCC2)C1 ZINC000272732683 1434926715 /nfs/dbraw/zinc/92/67/15/1434926715.db2.gz BXOGCAHBQWVBLU-UONOGXRCSA-N 0 3 381.498 3.063 20 5 GGBDHN Cc1cc(NCc2ccc(N3CCOCC3)nc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272833683 1434934626 /nfs/dbraw/zinc/93/46/26/1434934626.db2.gz LOCJJDBFMGHQNG-UHFFFAOYSA-N 0 3 379.420 3.295 20 5 GGBDHN C[C@@H]1CN(CC2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)CC2)C[C@@H](C)O1 ZINC000273371334 1434984031 /nfs/dbraw/zinc/98/40/31/1434984031.db2.gz GUYLYRXFMYCKIZ-ZIAGYGMSSA-N 0 3 394.447 3.087 20 5 GGBDHN C[C@H]1CN(CC2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)CC2)C[C@H](C)O1 ZINC000273371324 1434984060 /nfs/dbraw/zinc/98/40/60/1434984060.db2.gz GUYLYRXFMYCKIZ-KBPBESRZSA-N 0 3 394.447 3.087 20 5 GGBDHN COc1cc(C[NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000273510441 1434993485 /nfs/dbraw/zinc/99/34/85/1434993485.db2.gz QRHIMWYHOQMTJK-QAPCUYQASA-N 0 3 376.384 3.458 20 5 GGBDHN C[C@H]1CN(CCCCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000273856581 1435022266 /nfs/dbraw/zinc/02/22/66/1435022266.db2.gz MVPRWAIHGVVYQR-GJZGRUSLSA-N 0 3 395.475 3.017 20 5 GGBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@@H]21 ZINC000277559980 1435312803 /nfs/dbraw/zinc/31/28/03/1435312803.db2.gz JWCJPLAONBIVKM-HKUYNNGSSA-N 0 3 381.432 3.360 20 5 GGBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@H]([C@@H](O)C(F)(F)F)C3)o2)c1 ZINC000277624826 1435317189 /nfs/dbraw/zinc/31/71/89/1435317189.db2.gz ASCRXTCETRCOAP-SUMWQHHRSA-N 0 3 399.369 3.428 20 5 GGBDHN Cc1cnccc1OC1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000278651068 1435410523 /nfs/dbraw/zinc/41/05/23/1435410523.db2.gz PUBBKYSESBTHAE-UHFFFAOYSA-N 0 3 384.436 3.170 20 5 GGBDHN CS(=O)(=O)Nc1ccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000278758010 1435420519 /nfs/dbraw/zinc/42/05/19/1435420519.db2.gz OHGBWKWZISUWRG-GOSISDBHSA-N 0 3 375.450 3.134 20 5 GGBDHN O=[N+]([O-])c1ccn(CCN2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)n1 ZINC000278822770 1435427355 /nfs/dbraw/zinc/42/73/55/1435427355.db2.gz IQGQIVSKWJYWLY-UHFFFAOYSA-N 0 3 392.459 3.442 20 5 GGBDHN CC1(C)C[C@H](NCc2ccc(NS(C)(=O)=O)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000279158099 1435466028 /nfs/dbraw/zinc/46/60/28/1435466028.db2.gz TYNIBMBOONEEMH-SFHVURJKSA-N 0 3 389.477 3.479 20 5 GGBDHN C[C@@H]1OCC[C@@]12CN(CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)C[C@@H](C)O2 ZINC000279787394 1435543175 /nfs/dbraw/zinc/54/31/75/1435543175.db2.gz OALHQKCJIIKVJM-QEEYODRMSA-N 0 3 387.436 3.061 20 5 GGBDHN COc1cc(CNCCc2cccc(C)n2)c([N+](=O)[O-])cc1OCC(F)F ZINC000280619851 1435691185 /nfs/dbraw/zinc/69/11/85/1435691185.db2.gz PJTMMNZXMVGICU-UHFFFAOYSA-N 0 3 381.379 3.283 20 5 GGBDHN O=[N+]([O-])c1cc(CN2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)c2c(c1)COCO2 ZINC000280716074 1435708524 /nfs/dbraw/zinc/70/85/24/1435708524.db2.gz BTZITNDWSLXJLP-QRVBRYPASA-N 0 3 376.453 3.367 20 5 GGBDHN COc1ccc([C@@H](NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C2CC2)cc1 ZINC000280906414 1435740164 /nfs/dbraw/zinc/74/01/64/1435740164.db2.gz QCTZKAKNNSVKRQ-FQEVSTJZSA-N 0 3 399.403 3.012 20 5 GGBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](c2cccs2)N2CCCC2)n1 ZINC000280960718 1435748042 /nfs/dbraw/zinc/74/80/42/1435748042.db2.gz KVHSASVSEXIWPJ-AWEZNQCLSA-N 0 3 376.438 3.087 20 5 GGBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@H]32)c1 ZINC000281085473 1435771452 /nfs/dbraw/zinc/77/14/52/1435771452.db2.gz RXVRLHCHQLBBFX-IEBWSBKVSA-N 0 3 381.432 3.360 20 5 GGBDHN CCS(=O)(=O)c1ccc([C@@H](C)NCCOc2cccc([N+](=O)[O-])c2)cc1 ZINC000284651699 1436037802 /nfs/dbraw/zinc/03/78/02/1436037802.db2.gz FFAPYUGZSLTPQW-CQSZACIVSA-N 0 3 378.450 3.118 20 5 GGBDHN O=[N+]([O-])c1ccc2ccc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)nc2c1 ZINC001164725421 720366335 /nfs/dbraw/zinc/36/63/35/720366335.db2.gz NHXFDWPAWTYJCB-VQTJNVASSA-N 0 3 375.432 3.391 20 5 GGBDHN O=[N+]([O-])c1ccc2ccc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)nc2c1 ZINC001164725417 720366680 /nfs/dbraw/zinc/36/66/80/720366680.db2.gz NHXFDWPAWTYJCB-PMACEKPBSA-N 0 3 375.432 3.391 20 5 GGBDHN O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)c2ccccc21 ZINC001164726983 720373848 /nfs/dbraw/zinc/37/38/48/720373848.db2.gz QAOUONJCMRSQMT-RTBURBONSA-N 0 3 375.432 3.391 20 5 GGBDHN O=[N+]([O-])c1ccc2ccnc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c2c1 ZINC001164725696 720423848 /nfs/dbraw/zinc/42/38/48/720423848.db2.gz AQHYXTOWNKXUAS-UXHICEINSA-N 0 3 375.432 3.391 20 5 GGBDHN Cn1cc(CN2CC[C@H]3CN(c4ccc5ccc6cccnc6c5n4)C[C@H]3C2)cn1 ZINC001164770376 721096019 /nfs/dbraw/zinc/09/60/19/721096019.db2.gz PVQNVGDMNHSFSR-LEWJYISDSA-N 0 3 398.514 3.475 20 5 GGBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164909254 721538846 /nfs/dbraw/zinc/53/88/46/721538846.db2.gz RAXGBYJLIRLXNW-FUHWJXTLSA-N 0 3 386.427 3.088 20 5 GGBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164909244 721538994 /nfs/dbraw/zinc/53/89/94/721538994.db2.gz RAXGBYJLIRLXNW-AEFFLSMTSA-N 0 3 386.427 3.088 20 5 GGBDHN CC[NH+](CC)CCCC1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000825412342 947181124 /nfs/dbraw/zinc/18/11/24/947181124.db2.gz OZGHSPNGTSVZGO-UHFFFAOYSA-N 0 3 387.488 3.113 20 5 GGBDHN CC[NH+](CC)CCCC1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000825412342 947181130 /nfs/dbraw/zinc/18/11/30/947181130.db2.gz OZGHSPNGTSVZGO-UHFFFAOYSA-N 0 3 387.488 3.113 20 5 GGBDHN C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001575516982 949222702 /nfs/dbraw/zinc/22/27/02/949222702.db2.gz SHMJSYQTDKGGQX-OCCSQVGLSA-N 0 3 397.414 3.161 20 5 GGBDHN C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001575516982 949222727 /nfs/dbraw/zinc/22/27/27/949222727.db2.gz SHMJSYQTDKGGQX-OCCSQVGLSA-N 0 3 397.414 3.161 20 5 GGBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000119652608 564282139 /nfs/dbraw/zinc/28/21/39/564282139.db2.gz ZNKHJPXCOYJHNS-VXGBXAGGSA-N 0 3 384.274 3.208 20 5 GGBDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000119689992 564283085 /nfs/dbraw/zinc/28/30/85/564283085.db2.gz HIWOGVJTRZGKFV-FRRDWIJNSA-N 0 3 398.301 3.454 20 5 GGBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)N1CCC(C)CC1 ZINC000119964714 564297915 /nfs/dbraw/zinc/29/79/15/564297915.db2.gz JMETVJYBMACECD-LBPRGKRZSA-N 0 3 384.274 3.208 20 5 GGBDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000121576914 564375837 /nfs/dbraw/zinc/37/58/37/564375837.db2.gz IDBFHOQBRRHSFP-LLVKDONJSA-N 0 3 382.258 3.104 20 5 GGBDHN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H](N2CCCC2)C1 ZINC000121679435 564380424 /nfs/dbraw/zinc/38/04/24/564380424.db2.gz FTKOBJQLSWPBAD-ZDUSSCGKSA-N 0 3 382.258 3.058 20 5 GGBDHN CN(C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)C1CCCC1 ZINC000122392859 564412180 /nfs/dbraw/zinc/41/21/80/564412180.db2.gz GPYIOOQSQDVFJH-UHFFFAOYSA-N 0 3 384.274 3.304 20 5 GGBDHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000122951085 564433398 /nfs/dbraw/zinc/43/33/98/564433398.db2.gz SJWZFPYGVXNAPB-ZIAGYGMSSA-N 0 3 382.258 3.056 20 5 GGBDHN CN(C)CCN(Cc1ccco1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000123999490 564468273 /nfs/dbraw/zinc/46/82/73/564468273.db2.gz BXSQSOKSAJEEFI-UHFFFAOYSA-N 0 3 396.241 3.154 20 5 GGBDHN Cc1c(Br)cc(C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000125086495 564502524 /nfs/dbraw/zinc/50/25/24/564502524.db2.gz AUYCAPKSURGLPF-IINYFYTJSA-N 0 3 384.274 3.078 20 5 GGBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000126963046 564568786 /nfs/dbraw/zinc/56/87/86/564568786.db2.gz LGMDGQDERZFSJI-KGLIPLIRSA-N 0 3 396.285 3.365 20 5 GGBDHN Cc1c(Br)cc(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000127120077 564574160 /nfs/dbraw/zinc/57/41/60/564574160.db2.gz GXESDTFPXPPGHJ-SKDRFNHKSA-N 0 3 382.258 3.021 20 5 GGBDHN Cc1c(Br)cc(C(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000127914459 564601014 /nfs/dbraw/zinc/60/10/14/564601014.db2.gz PZSBCGUWKPUQTB-SWLSCSKDSA-N 0 3 396.285 3.222 20 5 GGBDHN CCCN1CCC(N(C)S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1 ZINC000055298161 564619333 /nfs/dbraw/zinc/61/93/33/564619333.db2.gz PKUKPHRXZJWDBR-UHFFFAOYSA-N 0 3 389.905 3.052 20 5 GGBDHN CCN(CC)CCN(CC(C)C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000106186100 564980479 /nfs/dbraw/zinc/98/04/79/564980479.db2.gz CZMJIHDHUJWXOW-UHFFFAOYSA-N 0 3 391.921 3.237 20 5 GGBDHN CN(C)Cc1cccc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000153101988 564984561 /nfs/dbraw/zinc/98/45/61/564984561.db2.gz TVJBPGMYCOEEJY-UHFFFAOYSA-N 0 3 392.253 3.349 20 5 GGBDHN CCN1CCC[C@H]1CNc1ccc(I)cc1[N+](=O)[O-] ZINC000107801832 565002498 /nfs/dbraw/zinc/00/24/98/565002498.db2.gz IQGSUWXDWRQOJF-NSHDSACASA-N 0 3 375.210 3.096 20 5 GGBDHN CN(Cc1ccccc1)C[C@@H](O)COc1c(Br)cccc1[N+](=O)[O-] ZINC000154006465 565021955 /nfs/dbraw/zinc/02/19/55/565021955.db2.gz FQTGJXPHZUSGTB-CQSZACIVSA-N 0 3 395.253 3.229 20 5 GGBDHN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@@H](N2CCCC2)C1 ZINC000155116316 565062247 /nfs/dbraw/zinc/06/22/47/565062247.db2.gz QRSYVPOGDJBQRN-GFCCVEGCSA-N 0 3 383.246 3.059 20 5 GGBDHN COc1cc(CNCCc2ccc([N+](=O)[O-])cc2)c(Br)cc1O ZINC000113335973 565069210 /nfs/dbraw/zinc/06/92/10/565069210.db2.gz QNVWFISTMSDZGX-UHFFFAOYSA-N 0 3 381.226 3.404 20 5 GGBDHN CC(C)OCCN1CCC(Nc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000267283548 565112800 /nfs/dbraw/zinc/11/28/00/565112800.db2.gz VVJRNRMFOPGVJR-UHFFFAOYSA-N 0 3 387.278 3.054 20 5 GGBDHN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@H](N2CCCCC2)C1 ZINC000267488657 565119444 /nfs/dbraw/zinc/11/94/44/565119444.db2.gz VWSIFQZEUOZIMO-CYBMUJFWSA-N 0 3 382.258 3.058 20 5 GGBDHN Cc1cc(Cl)c(S(=O)(=O)N(C)C2CCN(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000267677760 565127213 /nfs/dbraw/zinc/12/72/13/565127213.db2.gz PFUMGDPVNFYKFR-UHFFFAOYSA-N 0 3 389.905 3.050 20 5 GGBDHN CN1CCC2(CCCN2C(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000370203875 565133020 /nfs/dbraw/zinc/13/30/20/565133020.db2.gz KZIJBLVRTJEFGG-UHFFFAOYSA-N 0 3 382.258 3.058 20 5 GGBDHN CC(C)N1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000267951162 565135889 /nfs/dbraw/zinc/13/58/89/565135889.db2.gz WNBLPMUMFIXKJV-UHFFFAOYSA-N 0 3 388.237 3.053 20 5 GGBDHN C[C@@H](CN1CCCCC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267983364 565136974 /nfs/dbraw/zinc/13/69/74/565136974.db2.gz YIWVSZAYMNBNIS-JTQLQIEISA-N 0 3 388.237 3.101 20 5 GGBDHN C[C@@H](NC[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000268723857 565165407 /nfs/dbraw/zinc/16/54/07/565165407.db2.gz AEHVCDBJXNRQJN-OLZOCXBDSA-N 0 3 380.491 3.409 20 5 GGBDHN CN(C)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000158807879 565183955 /nfs/dbraw/zinc/18/39/55/565183955.db2.gz VKPJWUNJVGUXQG-UHFFFAOYSA-N 0 3 392.253 3.349 20 5 GGBDHN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H](N2CCCCC2)C1 ZINC000269340026 565186919 /nfs/dbraw/zinc/18/69/19/565186919.db2.gz VLXPTEBRMQBVFH-AWEZNQCLSA-N 0 3 382.258 3.058 20 5 GGBDHN CN1CC=C(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)CC1 ZINC000271885483 565270803 /nfs/dbraw/zinc/27/08/03/565270803.db2.gz CXNNOODHIQSVND-UHFFFAOYSA-N 0 3 388.649 3.002 20 5 GGBDHN Cc1c(Br)cc(C(=O)N(CCN(C)C)CC(C)C)cc1[N+](=O)[O-] ZINC000164198577 565355949 /nfs/dbraw/zinc/35/59/49/565355949.db2.gz QECHABFCLVBMEF-UHFFFAOYSA-N 0 3 386.290 3.326 20 5 GGBDHN C[C@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[C@H]1N1CCN(C)CC1 ZINC000375380505 565384309 /nfs/dbraw/zinc/38/43/09/565384309.db2.gz PTLPBIGLHSMIEA-BLLLJJGKSA-N 0 3 387.311 3.364 20 5 GGBDHN CN(C[C@@H](O)c1cccc(Br)c1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000298034090 565395946 /nfs/dbraw/zinc/39/59/46/565395946.db2.gz CMRFAIOOYDQDEZ-IAGOWNOFSA-N 0 3 395.253 3.056 20 5 GGBDHN CN(C[C@H](O)c1cccc(Br)c1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000298034083 565396143 /nfs/dbraw/zinc/39/61/43/565396143.db2.gz CMRFAIOOYDQDEZ-DLBZAZTESA-N 0 3 395.253 3.056 20 5 GGBDHN CN(C[C@H](O)c1cccc(Br)c1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000298034098 565396456 /nfs/dbraw/zinc/39/64/56/565396456.db2.gz CMRFAIOOYDQDEZ-IRXDYDNUSA-N 0 3 395.253 3.056 20 5 GGBDHN CN(C)C1(CN(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CCC1 ZINC000275758602 565425243 /nfs/dbraw/zinc/42/52/43/565425243.db2.gz CFOKKHFEMVYVBO-UHFFFAOYSA-N 0 3 388.237 3.053 20 5 GGBDHN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]1CN1CCCC1 ZINC000172531668 565490760 /nfs/dbraw/zinc/49/07/60/565490760.db2.gz VPIXLMNLCVZMBK-CYBMUJFWSA-N 0 3 382.258 3.058 20 5 GGBDHN CN(C)[C@H](CNc1c(Br)cncc1[N+](=O)[O-])Cc1ccccc1 ZINC000301825790 565511980 /nfs/dbraw/zinc/51/19/80/565511980.db2.gz DWXPREKBZIUBLU-ZDUSSCGKSA-N 0 3 379.258 3.337 20 5 GGBDHN C[C@H]1CN(CCCCNc2c(Br)cncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000301901623 565517488 /nfs/dbraw/zinc/51/74/88/565517488.db2.gz VSHRTDQRYNOHBG-RYUDHWBXSA-N 0 3 387.278 3.054 20 5 GGBDHN CN1CCN(CCC(C)(C)Nc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000302278975 565539366 /nfs/dbraw/zinc/53/93/66/565539366.db2.gz UINGFYZTOPDXNH-UHFFFAOYSA-N 0 3 385.306 3.185 20 5 GGBDHN CCN1CCN(C[C@@H](C)CNc2cc(C)c([N+](=O)[O-])cc2Br)CC1 ZINC000302652988 565548617 /nfs/dbraw/zinc/54/86/17/565548617.db2.gz GZJJUSMKSKGUGK-ZDUSSCGKSA-N 0 3 399.333 3.351 20 5 GGBDHN Cc1cc(N[C@H](C)CCN2CCN(C)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302666165 565549052 /nfs/dbraw/zinc/54/90/52/565549052.db2.gz JISLFCOSOOMFSK-CYBMUJFWSA-N 0 3 385.306 3.104 20 5 GGBDHN C[C@H](NCCNC(=O)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000173412875 565556609 /nfs/dbraw/zinc/55/66/09/565556609.db2.gz WMRVBQBRBOCDSQ-LBPRGKRZSA-N 0 3 392.253 3.438 20 5 GGBDHN Cc1c(CNC[C@H](O)COc2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000392519327 565565925 /nfs/dbraw/zinc/56/59/25/565565925.db2.gz IEBMIFRYUXWBOE-HNNXBMFYSA-N 0 3 395.253 3.195 20 5 GGBDHN O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC[C@@H](N2CCCC2)C1 ZINC000322099244 565607999 /nfs/dbraw/zinc/60/79/99/565607999.db2.gz DFEQJDDASOJDKY-GFCCVEGCSA-N 0 3 382.258 3.058 20 5 GGBDHN COC(=O)c1ccc(CNCCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000325792729 565622550 /nfs/dbraw/zinc/62/25/50/565622550.db2.gz ZFSDQOFDCNBJSB-UHFFFAOYSA-N 0 3 393.237 3.476 20 5 GGBDHN COc1cc(CNC[C@@H]2CCSC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000280118855 565652981 /nfs/dbraw/zinc/65/29/81/565652981.db2.gz PJSZVYCKSXVSGX-JTQLQIEISA-N 0 3 380.388 3.387 20 5 GGBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN(Cc2ccc(Cl)c(Cl)c2)C2CC2)c1 ZINC000174740645 565654617 /nfs/dbraw/zinc/65/46/17/565654617.db2.gz RDKUSOFAFKETOY-CQSZACIVSA-N 0 3 385.251 3.124 20 5 GGBDHN CC(C)N(Cc1ccc(Cl)c(Cl)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174740400 565654714 /nfs/dbraw/zinc/65/47/14/565654714.db2.gz VOXSDSBPLKWKIL-AWEZNQCLSA-N 0 3 387.267 3.370 20 5 GGBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000192378399 565683347 /nfs/dbraw/zinc/68/33/47/565683347.db2.gz VZPRMNSWSBHIQY-NEPJUHHUSA-N 0 3 382.258 3.056 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000330481212 565709140 /nfs/dbraw/zinc/70/91/40/565709140.db2.gz OXQSGCCWNPRWFK-ZDUSSCGKSA-N 0 3 396.285 3.366 20 5 GGBDHN CN(CCn1ccc([N+](=O)[O-])n1)CC1(c2ccc(Br)cc2)CC1 ZINC000176260816 565761001 /nfs/dbraw/zinc/76/10/01/565761001.db2.gz IDGLSKWODHXAQS-UHFFFAOYSA-N 0 3 379.258 3.217 20 5 GGBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000331501450 565762933 /nfs/dbraw/zinc/76/29/33/565762933.db2.gz HHTBJDGNDVDVMZ-OCCSQVGLSA-N 0 3 383.901 3.426 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000331530324 565765206 /nfs/dbraw/zinc/76/52/06/565765206.db2.gz PEJOPCBVNCJXAL-KOLCDFICSA-N 0 3 382.258 3.021 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000331530367 565765476 /nfs/dbraw/zinc/76/54/76/565765476.db2.gz PEJOPCBVNCJXAL-ONGXEEELSA-N 0 3 382.258 3.021 20 5 GGBDHN COCC[C@@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000282214482 565770105 /nfs/dbraw/zinc/77/01/05/565770105.db2.gz MHPGRPIQLNVZJP-NSHDSACASA-N 0 3 399.241 3.104 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000331901885 565792077 /nfs/dbraw/zinc/79/20/77/565792077.db2.gz GXQKHKOQQGMHND-GFCCVEGCSA-N 0 3 396.285 3.412 20 5 GGBDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000331948013 565795408 /nfs/dbraw/zinc/79/54/08/565795408.db2.gz OEJCXHJETFFGMD-GFCCVEGCSA-N 0 3 382.258 3.104 20 5 GGBDHN CN(C)Cc1ccccc1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176927458 565815413 /nfs/dbraw/zinc/81/54/13/565815413.db2.gz UNOJDEIDTOWGKA-UHFFFAOYSA-N 0 3 392.253 3.349 20 5 GGBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177024517 565824044 /nfs/dbraw/zinc/82/40/44/565824044.db2.gz ALDYSCUOIGBHKX-VXGBXAGGSA-N 0 3 384.274 3.208 20 5 GGBDHN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H](N2CCCCC2)C1 ZINC000332302978 565827212 /nfs/dbraw/zinc/82/72/12/565827212.db2.gz NREANUXXYKRQQD-CQSZACIVSA-N 0 3 383.901 3.427 20 5 GGBDHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000332597136 565846161 /nfs/dbraw/zinc/84/61/61/565846161.db2.gz PPCMDSXOSHIRGQ-CHWSQXEVSA-N 0 3 396.285 3.365 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000284541404 565857335 /nfs/dbraw/zinc/85/73/35/565857335.db2.gz DARWTCMRGKGOOW-NSHDSACASA-N 0 3 382.258 3.046 20 5 GGBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000177790204 565874393 /nfs/dbraw/zinc/87/43/93/565874393.db2.gz OBKWCWUXBITZPZ-YPMHNXCESA-N 0 3 382.258 3.056 20 5 GGBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000285939128 565934203 /nfs/dbraw/zinc/93/42/03/565934203.db2.gz USQYELDLJUCPBO-NHYWBVRUSA-N 0 3 382.258 3.056 20 5 GGBDHN C[C@@H]1C[C@H](NCc2cc(I)cc([N+](=O)[O-])c2)CS1 ZINC000414496828 565943377 /nfs/dbraw/zinc/94/33/77/565943377.db2.gz JDSOLBFJFUUAOO-KCJUWKMLSA-N 0 3 378.235 3.183 20 5 GGBDHN CC[C@H](NCc1cc(I)cc([N+](=O)[O-])c1)[C@H](O)C(C)C ZINC000414525414 565945156 /nfs/dbraw/zinc/94/51/56/565945156.db2.gz JQBHAQIWMZAEKB-UONOGXRCSA-N 0 3 392.237 3.085 20 5 GGBDHN C[C@@H]1CCCCN1CCCCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000179569516 565990401 /nfs/dbraw/zinc/99/04/01/565990401.db2.gz DAHJRBIOVGYXNE-GFCCVEGCSA-N 0 3 375.516 3.126 20 5 GGBDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000246158473 566018858 /nfs/dbraw/zinc/01/88/58/566018858.db2.gz HIWOGVJTRZGKFV-XQQFMLRXSA-N 0 3 398.301 3.454 20 5 GGBDHN CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)C(C)(C)CN1CCCC1 ZINC000416106577 566034334 /nfs/dbraw/zinc/03/43/34/566034334.db2.gz NDBHRPOXAYIHLS-UHFFFAOYSA-N 0 3 384.274 3.304 20 5 GGBDHN C[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000247014627 566049883 /nfs/dbraw/zinc/04/98/83/566049883.db2.gz LTGSVXVZXRBKMS-NWDGAFQWSA-N 0 3 384.274 3.208 20 5 GGBDHN C[C@@H](NC[C@H](O)COc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180434479 566062504 /nfs/dbraw/zinc/06/25/04/566062504.db2.gz ZMDJCDOADFHJOZ-WBMJQRKESA-N 0 3 395.253 3.448 20 5 GGBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000288228710 566063199 /nfs/dbraw/zinc/06/31/99/566063199.db2.gz FDGRPQCPPONJAI-YPMHNXCESA-N 0 3 382.258 3.056 20 5 GGBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000288228696 566063300 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O=[N+]([O-])c1cc(Br)ccc1CN[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000575918166 566297351 /nfs/dbraw/zinc/29/73/51/566297351.db2.gz NVDCPAPIXRJZJS-HOTGVXAUSA-N 0 3 398.301 3.090 20 5 GGBDHN CCN(C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000599986131 566308010 /nfs/dbraw/zinc/30/80/10/566308010.db2.gz ONDBSYFIMWBTQG-UHFFFAOYSA-N 0 3 384.274 3.222 20 5 GGBDHN CC[C@H](CSC)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000576032401 566309130 /nfs/dbraw/zinc/30/91/30/566309130.db2.gz KEOUIPSFARWMFN-LLVKDONJSA-N 0 3 380.251 3.431 20 5 GGBDHN COC(=O)c1ccc(CNCCc2ccccc2[N+](=O)[O-])c(Br)c1 ZINC000556598161 566315453 /nfs/dbraw/zinc/31/54/53/566315453.db2.gz HQARKBDQYZCQAC-UHFFFAOYSA-N 0 3 393.237 3.476 20 5 GGBDHN CC(C)CCOCCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000576197035 566325432 /nfs/dbraw/zinc/32/54/32/566325432.db2.gz SEDJXJQQYMUPFK-UHFFFAOYSA-N 0 3 392.237 3.352 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(C(C)C)C1 ZINC000556985329 566353199 /nfs/dbraw/zinc/35/31/99/566353199.db2.gz 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CN(Cc1ccccc1)[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000610512575 566838063 /nfs/dbraw/zinc/83/80/63/566838063.db2.gz MFKMMAIRSRPGCO-AWEZNQCLSA-N 0 3 391.269 3.463 20 5 GGBDHN O=[N+]([O-])c1ccc(CNC[C@H](CO)Cc2ccccc2Br)c(F)c1 ZINC000428545579 566856838 /nfs/dbraw/zinc/85/68/38/566856838.db2.gz LWGYKGJZGSMZLI-GFCCVEGCSA-N 0 3 397.244 3.437 20 5 GGBDHN O=[N+]([O-])c1cc(CNC[C@H](CO)Cc2cccc(Br)c2)cs1 ZINC000428545326 566856852 /nfs/dbraw/zinc/85/68/52/566856852.db2.gz VJZXQMDFZHDISG-GFCCVEGCSA-N 0 3 385.283 3.360 20 5 GGBDHN O=[N+]([O-])c1ccc(CNC[C@@H](CO)Cc2ccc(Br)cc2)c(F)c1 ZINC000428546245 566856873 /nfs/dbraw/zinc/85/68/73/566856873.db2.gz XDRNFWBZVVWQSW-ZDUSSCGKSA-N 0 3 397.244 3.437 20 5 GGBDHN C[C@@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000470365785 566867789 /nfs/dbraw/zinc/86/77/89/566867789.db2.gz SRVQYXUAPGWQQK-ZDUSSCGKSA-N 0 3 382.869 3.415 20 5 GGBDHN O=[N+]([O-])c1ccc(OCCN[C@H](CO)c2ccc(Br)cc2)cc1 ZINC000543837077 566914494 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CC(C)OCCCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000564407555 566973271 /nfs/dbraw/zinc/97/32/71/566973271.db2.gz HPYWRMXZKZMJPH-UHFFFAOYSA-N 0 3 378.210 3.104 20 5 GGBDHN Cc1cc(C(C)(C)NCCn2cc([N+](=O)[O-])ccc2=O)ccc1Br ZINC000520462524 567006688 /nfs/dbraw/zinc/00/66/88/567006688.db2.gz UWJWMAQVEKWNSF-UHFFFAOYSA-N 0 3 394.269 3.352 20 5 GGBDHN O=C([N-]c1c[nH+]ccc1-n1cccn1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430909702 567040987 /nfs/dbraw/zinc/04/09/87/567040987.db2.gz PHVGBDXAQGDFJI-UHFFFAOYSA-N 0 3 388.181 3.190 20 5 GGBDHN O=c1ccc(Br)cn1CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453243548 567066589 /nfs/dbraw/zinc/06/65/89/567066589.db2.gz GPUVKJXLZHIYRV-MRXNPFEDSA-N 0 3 392.253 3.186 20 5 GGBDHN O=[N+]([O-])c1cc2c(ncnc2NCC2(N3CCSCC3)CCCC2)s1 ZINC000587197339 567102660 /nfs/dbraw/zinc/10/26/60/567102660.db2.gz DKBKPPBOKVMCBR-UHFFFAOYSA-N 0 3 379.511 3.373 20 5 GGBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431789626 567107512 /nfs/dbraw/zinc/10/75/12/567107512.db2.gz BOAVBFDKMRMIBD-RYUDHWBXSA-N 0 3 384.274 3.208 20 5 GGBDHN C[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000431806938 567109031 /nfs/dbraw/zinc/10/90/31/567109031.db2.gz DQKYTXKTDCVYPS-LBPRGKRZSA-N 0 3 384.274 3.208 20 5 GGBDHN O=[N+]([O-])c1ccccc1CCNCc1cn2ccc(Br)cc2n1 ZINC000589314079 567174505 /nfs/dbraw/zinc/17/45/05/567174505.db2.gz HQNVVFVQKKRTDI-UHFFFAOYSA-N 0 3 375.226 3.337 20 5 GGBDHN O=[N+]([O-])c1cc(I)cc(CNC[C@H]2CCCS2)c1 ZINC000589314786 567174792 /nfs/dbraw/zinc/17/47/92/567174792.db2.gz VJQHKMYEXXEAEO-GFCCVEGCSA-N 0 3 378.235 3.185 20 5 GGBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCC1(SC)CCN(C)CC1 ZINC000589605304 567186963 /nfs/dbraw/zinc/18/69/63/567186963.db2.gz MCMVKNGFGYFMDW-UHFFFAOYSA-N 0 3 387.889 3.274 20 5 GGBDHN CCC[NH+](CCC)CCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000524410003 567197714 /nfs/dbraw/zinc/19/77/14/567197714.db2.gz FZWMOPOKFHVJMS-UHFFFAOYSA-N 0 3 377.894 3.039 20 5 GGBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2CCCCC(F)(F)C2)cc1 ZINC000567708847 567270242 /nfs/dbraw/zinc/27/02/42/567270242.db2.gz XXAILGNPCHGQAZ-CYBMUJFWSA-N 0 3 376.425 3.174 20 5 GGBDHN CN1CCC2(CCCN2C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000548192048 567287039 /nfs/dbraw/zinc/28/70/39/567287039.db2.gz HDEFXAMEVVXBHJ-UHFFFAOYSA-N 0 3 382.258 3.058 20 5 GGBDHN O=[N+]([O-])c1cc(Br)ccc1CN1CCN(c2ccncc2)CC1 ZINC000591845324 567301587 /nfs/dbraw/zinc/30/15/87/567301587.db2.gz LUHFUEVLEDBPGZ-UHFFFAOYSA-N 0 3 377.242 3.075 20 5 GGBDHN Cc1c(NC(=O)N2CCN(C)CC[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000500179629 567305717 /nfs/dbraw/zinc/30/57/17/567305717.db2.gz XIKLKURPIKXVRS-SNVBAGLBSA-N 0 3 385.262 3.224 20 5 GGBDHN O=C(NC[C@H]1CCCCN1C1CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000434437149 567308466 /nfs/dbraw/zinc/30/84/66/567308466.db2.gz NAEKFQRRNVSZLY-CYBMUJFWSA-N 0 3 382.258 3.104 20 5 GGBDHN C[C@H](CN1CCCCCC1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000476393402 567319806 /nfs/dbraw/zinc/31/98/06/567319806.db2.gz YZSRIZIJMCOQEQ-GFCCVEGCSA-N 0 3 384.274 3.352 20 5 GGBDHN C[C@H]1SCC[C@H]1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000592379974 567333904 /nfs/dbraw/zinc/33/39/04/567333904.db2.gz GBWJDLFSMFDKNZ-PRHODGIISA-N 0 3 378.235 3.183 20 5 GGBDHN Cc1c(NC(=O)N[C@@H]2CCCN(C)[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000435326249 567355890 /nfs/dbraw/zinc/35/58/90/567355890.db2.gz CEHFQVFDMCUOCO-ZYHUDNBSSA-N 0 3 385.262 3.270 20 5 GGBDHN CCN1CCC[C@@H]1CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000502099257 567420009 /nfs/dbraw/zinc/42/00/09/567420009.db2.gz PLSVQRDBRMYLSG-GFCCVEGCSA-N 0 3 379.258 3.224 20 5 GGBDHN CC[C@@H](C)[C@@](C)(O)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000569861003 567437836 /nfs/dbraw/zinc/43/78/36/567437836.db2.gz PDYUDMDXXPQUOL-YGRLFVJLSA-N 0 3 392.237 3.086 20 5 GGBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000594195345 567464874 /nfs/dbraw/zinc/46/48/74/567464874.db2.gz FYYISTBJNDIIRA-HUUCEWRRSA-N 0 3 382.258 3.104 20 5 GGBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1Br ZINC000594195750 567464967 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Cc1c(Br)cc(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000552337684 567578737 /nfs/dbraw/zinc/57/87/37/567578737.db2.gz XQAHDRLFHJGDJB-BXUZGUMPSA-N 0 3 396.285 3.365 20 5 GGBDHN Cc1cc(NCCN2CCN(C)C(C)(C)C2)c(Br)cc1[N+](=O)[O-] ZINC000440648719 567637282 /nfs/dbraw/zinc/63/72/82/567637282.db2.gz KHAUWZLCHCZFRI-UHFFFAOYSA-N 0 3 385.306 3.104 20 5 GGBDHN CC(C)(C)N1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000531188510 567645187 /nfs/dbraw/zinc/64/51/87/567645187.db2.gz BAAAOIMHPQDZNK-UHFFFAOYSA-N 0 3 384.274 3.304 20 5 GGBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000507081867 567658109 /nfs/dbraw/zinc/65/81/09/567658109.db2.gz BVFQJVAIEMMBGA-ZBFHGGJFSA-N 0 3 383.539 3.215 20 5 GGBDHN C[C@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000507279423 567673032 /nfs/dbraw/zinc/67/30/32/567673032.db2.gz MCRBHXUFSHZPGQ-LBPRGKRZSA-N 0 3 389.905 3.037 20 5 GGBDHN C[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000507279421 567673181 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O=[N+]([O-])c1cc(CN2CCCN(Cc3ccccc3)CC2)c2c(c1)COCO2 ZINC000009986660 1398872787 /nfs/dbraw/zinc/87/27/87/1398872787.db2.gz VIBHIXOWGUYYHX-UHFFFAOYSA-N 0 3 383.448 3.169 20 5 GGBDHN O=C(CN1CCC[C@@H]1c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000010340295 1398887401 /nfs/dbraw/zinc/88/74/01/1398887401.db2.gz ZRJGPZFLZBZUOQ-OAQYLSRUSA-N 0 3 394.475 3.081 20 5 GGBDHN CN(C)[C@@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000016259072 1399224800 /nfs/dbraw/zinc/22/48/00/1399224800.db2.gz ZLPOPXXVKSPZTC-GOSISDBHSA-N 0 3 382.464 3.072 20 5 GGBDHN CCOc1cc(C(=O)NC[C@H](c2ccccc2)N(C)C)c([N+](=O)[O-])cc1OC ZINC000016599684 1399252158 /nfs/dbraw/zinc/25/21/58/1399252158.db2.gz QDCCIHGCMVUEFP-QGZVFWFLSA-N 0 3 387.436 3.035 20 5 GGBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000017362951 1399281709 /nfs/dbraw/zinc/28/17/09/1399281709.db2.gz QJTUBKHLZWZBMF-UHFFFAOYSA-N 0 3 398.419 3.206 20 5 GGBDHN COc1ccc([C@@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000017911606 1399295113 /nfs/dbraw/zinc/29/51/13/1399295113.db2.gz JGQFRAQQHPGAHA-HXUWFJFHSA-N 0 3 383.448 3.099 20 5 GGBDHN CN(C)[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000022682050 1399490451 /nfs/dbraw/zinc/49/04/51/1399490451.db2.gz WEACRODCUBHZCF-IBGZPJMESA-N 0 3 396.491 3.098 20 5 GGBDHN O=C(NCC1CCN(Cc2ccncc2)CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000023015790 1399525567 /nfs/dbraw/zinc/52/55/67/1399525567.db2.gz CDLBTWBPNVFLNM-UHFFFAOYSA-N 0 3 388.855 3.285 20 5 GGBDHN CCN1CCN(c2ccc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)c(C)c2)CC1 ZINC000025185321 1399766345 /nfs/dbraw/zinc/76/63/45/1399766345.db2.gz FCRVROUSORCVHN-UHFFFAOYSA-N 0 3 398.463 3.306 20 5 GGBDHN CNc1ccc(C(=O)NC[C@H](C(C)C)N2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000025535312 1399817770 /nfs/dbraw/zinc/81/77/70/1399817770.db2.gz VYFXNMIRFBSJQA-OAQYLSRUSA-N 0 3 396.491 3.449 20 5 GGBDHN COc1ccc(CN(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1F ZINC000026256657 1399874160 /nfs/dbraw/zinc/87/41/60/1399874160.db2.gz YJQJSXILRRVULX-UHFFFAOYSA-N 0 3 391.399 3.212 20 5 GGBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000026300044 1399876946 /nfs/dbraw/zinc/87/69/46/1399876946.db2.gz XRYBKUDEOUYVFG-CRAIPNDOSA-N 0 3 387.505 3.365 20 5 GGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN(Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000026715722 1399924716 /nfs/dbraw/zinc/92/47/16/1399924716.db2.gz HTMJYGLXPIAMCT-WMZOPIPTSA-N 0 3 392.477 3.077 20 5 GGBDHN Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H](c2cccs2)N(C)C)c1[N+](=O)[O-] ZINC000028619950 1400177777 /nfs/dbraw/zinc/17/77/77/1400177777.db2.gz AAJHFJSGFCSJGK-ZDUSSCGKSA-N 0 3 380.426 3.080 20 5 GGBDHN CCN1CCN(c2ccc(NC(=O)COc3cccc([N+](=O)[O-])c3)c(C)c2)CC1 ZINC000028877838 1400206782 /nfs/dbraw/zinc/20/67/82/1400206782.db2.gz PRHHKMGBMNHPDS-UHFFFAOYSA-N 0 3 398.463 3.063 20 5 GGBDHN CC(C)[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(F)cc1 ZINC000029198567 1400257052 /nfs/dbraw/zinc/25/70/52/1400257052.db2.gz KULBQGGPAYRUIN-LJQANCHMSA-N 0 3 389.383 3.388 20 5 GGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000029828970 1400359254 /nfs/dbraw/zinc/35/92/54/1400359254.db2.gz LVHFVFGOIXTRID-NVXWUHKLSA-N 0 3 397.431 3.355 20 5 GGBDHN O=C(NCCCN1CCc2ccccc2C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000029838145 1400360553 /nfs/dbraw/zinc/36/05/53/1400360553.db2.gz MCQDDOWVYBZOSE-UHFFFAOYSA-N 0 3 394.475 3.347 20 5 GGBDHN Cc1c(NC(=O)[C@H](C)N2CCN(CCC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000055933800 1407138917 /nfs/dbraw/zinc/13/89/17/1407138917.db2.gz ZPAAVEBMDGWGKG-INIZCTEOSA-N 0 3 376.501 3.284 20 5 GGBDHN CC(C)(C)CCN1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000055936340 1407139697 /nfs/dbraw/zinc/13/96/97/1407139697.db2.gz UFKQBXYDMQCENG-UHFFFAOYSA-N 0 3 382.892 3.241 20 5 GGBDHN CN(C)Cc1cccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000044276927 1403912065 /nfs/dbraw/zinc/91/20/65/1403912065.db2.gz QLYWAHMASHONKM-UHFFFAOYSA-N 0 3 383.452 3.011 20 5 GGBDHN CN(C)Cc1cccc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000044276912 1403912140 /nfs/dbraw/zinc/91/21/40/1403912140.db2.gz PIYNUSFSMNTPCG-UHFFFAOYSA-N 0 3 383.452 3.011 20 5 GGBDHN Cc1ccccc1CN1CCCN(C(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000045622245 1404164531 /nfs/dbraw/zinc/16/45/31/1404164531.db2.gz PSEFIOLSYMOOKC-UHFFFAOYSA-N 0 3 382.464 3.321 20 5 GGBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(C2CCCC2)CC1 ZINC000045753688 1404193920 /nfs/dbraw/zinc/19/39/20/1404193920.db2.gz MNYGIBDEXBLUFC-CYBMUJFWSA-N 0 3 380.876 3.135 20 5 GGBDHN C[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@H](C)C1 ZINC000047119476 1404712942 /nfs/dbraw/zinc/71/29/42/1404712942.db2.gz HDOXYJVTSFWKGJ-ROUUACIJSA-N 0 3 391.515 3.391 20 5 GGBDHN Cc1c(CN2CCC(C(=O)NCCCOC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000047753342 1404924942 /nfs/dbraw/zinc/92/49/42/1404924942.db2.gz UMTCHEWNEVKFPL-UHFFFAOYSA-N 0 3 377.485 3.047 20 5 GGBDHN O=[N+]([O-])c1cccc(-c2noc(CN3CCN(CC4CCCCC4)CC3)n2)c1 ZINC000049981946 1405440571 /nfs/dbraw/zinc/44/05/71/1405440571.db2.gz SKBFTFRVONYODX-UHFFFAOYSA-N 0 3 385.468 3.343 20 5 GGBDHN COc1ccc(CN2CCCN(Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)cc1 ZINC000051378371 1405800865 /nfs/dbraw/zinc/80/08/65/1405800865.db2.gz VUUPTVKZTMXGBQ-UHFFFAOYSA-N 0 3 385.464 3.320 20 5 GGBDHN CN1CCN(Cc2ccc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)cc2)CC1 ZINC000058889326 1407894996 /nfs/dbraw/zinc/89/49/96/1407894996.db2.gz POTSRKQLBRLWMA-UHFFFAOYSA-N 0 3 393.447 3.076 20 5 GGBDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058991002 1407909084 /nfs/dbraw/zinc/90/90/84/1407909084.db2.gz DGXHLCYVEQQYGO-UHFFFAOYSA-N 0 3 384.411 3.419 20 5 GGBDHN CCCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000060351757 1407957776 /nfs/dbraw/zinc/95/77/76/1407957776.db2.gz HBPZDTBXJMJGAY-LJQANCHMSA-N 0 3 399.495 3.003 20 5 GGBDHN CCCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000060351758 1407957837 /nfs/dbraw/zinc/95/78/37/1407957837.db2.gz HBPZDTBXJMJGAY-IBGZPJMESA-N 0 3 399.495 3.003 20 5 GGBDHN CCN(CC)CCN(CC(C)C)S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000060499669 1407991696 /nfs/dbraw/zinc/99/16/96/1407991696.db2.gz MQFUGPGFAUUBDU-UHFFFAOYSA-N 0 3 385.530 3.200 20 5 GGBDHN CC(C)N1CCN(c2ccc(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)cc2)CC1 ZINC000061135977 1408080818 /nfs/dbraw/zinc/08/08/18/1408080818.db2.gz RJHNFLRBSGPASG-UHFFFAOYSA-N 0 3 394.475 3.328 20 5 GGBDHN Cc1ccc([C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)N2CCCC2)cc1 ZINC000061502571 1408138755 /nfs/dbraw/zinc/13/87/55/1408138755.db2.gz PVCRSPKOZWYQHO-GOSISDBHSA-N 0 3 386.427 3.191 20 5 GGBDHN COc1ccc(C(=O)N(CCCc2ccccc2)CCN(C)C)cc1[N+](=O)[O-] ZINC000063485936 1408362953 /nfs/dbraw/zinc/36/29/53/1408362953.db2.gz MZYHCBHKXYJDJD-UHFFFAOYSA-N 0 3 385.464 3.240 20 5 GGBDHN Cc1ccccc1CN1CCCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000063498002 1408364349 /nfs/dbraw/zinc/36/43/49/1408364349.db2.gz LYBVKWXEHSGBGT-UHFFFAOYSA-N 0 3 396.491 3.358 20 5 GGBDHN COc1ccc(CSCC(=O)N2CCCN(C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000063723013 1408397054 /nfs/dbraw/zinc/39/70/54/1408397054.db2.gz IAJSHQHNAPJDEG-UHFFFAOYSA-N 0 3 395.525 3.169 20 5 GGBDHN CCN1CCN(CCCNC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000063744605 1408399750 /nfs/dbraw/zinc/39/97/50/1408399750.db2.gz ODIBWVAYUXXQIC-UHFFFAOYSA-N 0 3 376.504 3.145 20 5 GGBDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000176426659 1428316611 /nfs/dbraw/zinc/31/66/11/1428316611.db2.gz LERZRONANLNUOT-CQSZACIVSA-N 0 3 376.482 3.491 20 5 GGBDHN O=C(c1cccc(CN2CCCC2)c1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000064026270 1408469393 /nfs/dbraw/zinc/46/93/93/1408469393.db2.gz JMHKBTIXXJXTMV-UHFFFAOYSA-N 0 3 394.475 3.153 20 5 GGBDHN CC(C)NC(=O)c1ccc(N2CCN(CC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000064129162 1408491966 /nfs/dbraw/zinc/49/19/66/1408491966.db2.gz FEEQZKAZUCFOHX-UHFFFAOYSA-N 0 3 388.512 3.435 20 5 GGBDHN CCc1cc(NCCCN2CCN(CC)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064914183 1408627983 /nfs/dbraw/zinc/62/79/83/1408627983.db2.gz BCXWXSAVCOPDNZ-UHFFFAOYSA-N 0 3 398.511 3.054 20 5 GGBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000065936522 1408757670 /nfs/dbraw/zinc/75/76/70/1408757670.db2.gz LNIPSCRCCSGDQG-UHFFFAOYSA-N 0 3 390.871 3.251 20 5 GGBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000065937230 1408758189 /nfs/dbraw/zinc/75/81/89/1408758189.db2.gz DWTARUHREMSRON-UHFFFAOYSA-N 0 3 375.856 3.381 20 5 GGBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000065937171 1408758277 /nfs/dbraw/zinc/75/82/77/1408758277.db2.gz KWNYECDVWFMEMV-UHFFFAOYSA-N 0 3 376.844 3.034 20 5 GGBDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000065938218 1408758921 /nfs/dbraw/zinc/75/89/21/1408758921.db2.gz WPJAZUOCTSYPMG-UHFFFAOYSA-N 0 3 377.391 3.006 20 5 GGBDHN O=C(NC1CCCCC1)C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000065964124 1408763399 /nfs/dbraw/zinc/76/33/99/1408763399.db2.gz CNEMHIFAVDRDSA-UHFFFAOYSA-N 0 3 375.469 3.135 20 5 GGBDHN O=C(NC1CCCCC1)C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000065964319 1408763793 /nfs/dbraw/zinc/76/37/93/1408763793.db2.gz OWFXZBLELKUKSN-UHFFFAOYSA-N 0 3 375.469 3.135 20 5 GGBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000066434480 1408837013 /nfs/dbraw/zinc/83/70/13/1408837013.db2.gz OZOIFNYYUHOKOC-SFHVURJKSA-N 0 3 389.408 3.153 20 5 GGBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](N(C)C)Cc3ccccc32)cc1OC ZINC000067207069 1409042540 /nfs/dbraw/zinc/04/25/40/1409042540.db2.gz RMJRRXOTWNVYPP-HNNXBMFYSA-N 0 3 399.447 3.135 20 5 GGBDHN COc1ccc(CSCC(=O)NC[C@@H](C)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000067270881 1409059837 /nfs/dbraw/zinc/05/98/37/1409059837.db2.gz PORZZMBBKJECFJ-OAHLLOKOSA-N 0 3 395.525 3.073 20 5 GGBDHN Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)N(C)C)cc1 ZINC000067593460 1409179437 /nfs/dbraw/zinc/17/94/37/1409179437.db2.gz KVYHOYUPTAXMNM-GOSISDBHSA-N 0 3 386.408 3.153 20 5 GGBDHN CCc1ccc([C@H](CNC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000067901815 1409252670 /nfs/dbraw/zinc/25/26/70/1409252670.db2.gz SZCVQPOCZPHJMK-IBGZPJMESA-N 0 3 385.464 3.127 20 5 GGBDHN COc1ccc(CC(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)cc1[N+](=O)[O-] ZINC000067915790 1409255025 /nfs/dbraw/zinc/25/50/25/1409255025.db2.gz YVYFSRDQEZHMEP-HXUWFJFHSA-N 0 3 397.475 3.408 20 5 GGBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000068226270 1409334955 /nfs/dbraw/zinc/33/49/55/1409334955.db2.gz LQQXXLBNLHSNNS-SFHVURJKSA-N 0 3 385.439 3.305 20 5 GGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000068555198 1409437437 /nfs/dbraw/zinc/43/74/37/1409437437.db2.gz GVFSVTHXXWWNAG-HZPDHXFCSA-N 0 3 390.484 3.256 20 5 GGBDHN Cc1c(NC(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000068555638 1409437471 /nfs/dbraw/zinc/43/74/71/1409437471.db2.gz AQFDSUQBPKWAGX-HUUCEWRRSA-N 0 3 390.484 3.256 20 5 GGBDHN CC(C)OCCN1CCC(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000176688660 1428408232 /nfs/dbraw/zinc/40/82/32/1428408232.db2.gz LDRGGUMNQPFHNS-OAHLLOKOSA-N 0 3 395.525 3.081 20 5 GGBDHN CC(C)N1CCCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 ZINC000068800458 1409494835 /nfs/dbraw/zinc/49/48/35/1409494835.db2.gz ZLQMGBQWMRXBAQ-UHFFFAOYSA-N 0 3 388.512 3.387 20 5 GGBDHN Cc1c(NC(=O)[C@@H](C)N2CCCN(Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000068966955 1409535327 /nfs/dbraw/zinc/53/53/27/1409535327.db2.gz LSBHXXZLMKPBGC-GOSISDBHSA-N 0 3 396.491 3.438 20 5 GGBDHN Cc1c(C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000069618835 1409664443 /nfs/dbraw/zinc/66/44/43/1409664443.db2.gz QFZOFWVWQYONAB-LJQANCHMSA-N 0 3 398.419 3.378 20 5 GGBDHN CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])C1CCN(CCc2ccccn2)CC1 ZINC000072054324 1409842302 /nfs/dbraw/zinc/84/23/02/1409842302.db2.gz YFJRFTIBLPZZTP-MDZDMXLPSA-N 0 3 394.475 3.169 20 5 GGBDHN Cc1ccc([C@@H](C)NC(=O)N(CCN(C)C)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000176732425 1428440879 /nfs/dbraw/zinc/44/08/79/1428440879.db2.gz GPLAITSZGUAFKG-MRXNPFEDSA-N 0 3 385.468 3.133 20 5 GGBDHN Cc1noc([C@@H]2CCCN(Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000091832193 1410084342 /nfs/dbraw/zinc/08/43/42/1410084342.db2.gz SNXTZSFCZOKIEG-OAHLLOKOSA-N 0 3 382.424 3.066 20 5 GGBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000092424563 1410156328 /nfs/dbraw/zinc/15/63/28/1410156328.db2.gz WRSFKKQWJBTAIF-HOTGVXAUSA-N 0 3 377.485 3.139 20 5 GGBDHN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN(CCO)CCCO)cc1 ZINC000093324018 1410234278 /nfs/dbraw/zinc/23/42/78/1410234278.db2.gz ZPEBTWJPSIAPSF-UHFFFAOYSA-N 0 3 380.828 3.217 20 5 GGBDHN COCCCOC1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000093561266 1410254131 /nfs/dbraw/zinc/25/41/31/1410254131.db2.gz JYCMFTZZCFVSJY-UHFFFAOYSA-N 0 3 388.468 3.013 20 5 GGBDHN CC[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)N1CCOCC1 ZINC000176804351 1428470280 /nfs/dbraw/zinc/47/02/80/1428470280.db2.gz UAAKEKAOXIADCR-MRXNPFEDSA-N 0 3 389.477 3.050 20 5 GGBDHN CC[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)N1CCOCC1 ZINC000176804338 1428470293 /nfs/dbraw/zinc/47/02/93/1428470293.db2.gz UAAKEKAOXIADCR-INIZCTEOSA-N 0 3 389.477 3.050 20 5 GGBDHN Cc1c([N+](=O)[O-])cc(C(=O)N(CCN(C)C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000096943424 1410339064 /nfs/dbraw/zinc/33/90/64/1410339064.db2.gz UTICDLAGVYGZBT-UHFFFAOYSA-N 0 3 386.408 3.015 20 5 GGBDHN CN(CCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000176814655 1428477884 /nfs/dbraw/zinc/47/78/84/1428477884.db2.gz KQOYDIHXUXYLPB-UHFFFAOYSA-N 0 3 386.427 3.170 20 5 GGBDHN O=C(c1cc(NCCN2CCc3ccccc3C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000097513539 1410373244 /nfs/dbraw/zinc/37/32/44/1410373244.db2.gz BOYVAYRSECMRFT-UHFFFAOYSA-N 0 3 394.475 3.301 20 5 GGBDHN COc1cc(C[NH2+]CCCC(=O)Nc2ccc(Cl)cc2)c([N+](=O)[O-])cc1[O-] ZINC000101595433 1410474554 /nfs/dbraw/zinc/47/45/54/1410474554.db2.gz GBKURBANLUSMKJ-UHFFFAOYSA-N 0 3 393.827 3.471 20 5 GGBDHN C[C@H]1C[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000176885028 1428511921 /nfs/dbraw/zinc/51/19/21/1428511921.db2.gz HIHOHYDGGRIQCM-LPHOPBHVSA-N 0 3 382.464 3.399 20 5 GGBDHN C[C@@H](Nc1ccc(C(=O)N(C)CCN2CCCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000103116293 1410829015 /nfs/dbraw/zinc/82/90/15/1410829015.db2.gz ZWQILVLODKMDHZ-MRXNPFEDSA-N 0 3 397.479 3.331 20 5 GGBDHN COc1ccccc1CN(CCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104694785 1410932076 /nfs/dbraw/zinc/93/20/76/1410932076.db2.gz XRXYNJUMMPKPQV-UHFFFAOYSA-N 0 3 397.431 3.295 20 5 GGBDHN Cc1cc(C(=O)N2CCCN(CCCc3ccccc3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000104882051 1410988739 /nfs/dbraw/zinc/98/87/39/1410988739.db2.gz KUMPDYZBZWZQMF-UHFFFAOYSA-N 0 3 396.491 3.266 20 5 GGBDHN CCN(CC)S(=O)(=O)c1ccc(CCNCc2ccccc2[N+](=O)[O-])s1 ZINC000105431439 1411065858 /nfs/dbraw/zinc/06/58/58/1411065858.db2.gz AGOSSDHKINEUSC-UHFFFAOYSA-N 0 3 397.522 3.019 20 5 GGBDHN O=[N+]([O-])c1ccccc1CNC[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000105486047 1411071264 /nfs/dbraw/zinc/07/12/64/1411071264.db2.gz KKCRIAJOPLSZJU-IBGZPJMESA-N 0 3 375.856 3.411 20 5 GGBDHN CN(C)CCN(Cc1ccccn1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000107373428 1411366456 /nfs/dbraw/zinc/36/64/56/1411366456.db2.gz HBWXNQWOMBARIS-UHFFFAOYSA-N 0 3 377.832 3.239 20 5 GGBDHN CC(C)OCCN1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000177052266 1428569648 /nfs/dbraw/zinc/56/96/48/1428569648.db2.gz HCPLVAAHQDQNFB-UHFFFAOYSA-N 0 3 384.864 3.259 20 5 GGBDHN CCOc1ccc(C(=O)N(CCN(C)C)Cc2ccccc2F)cc1[N+](=O)[O-] ZINC000108682119 1411570982 /nfs/dbraw/zinc/57/09/82/1411570982.db2.gz DWEXRERWKMDIPO-UHFFFAOYSA-N 0 3 389.427 3.337 20 5 GGBDHN COc1ccc([C@H](N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C2CC2)cc1 ZINC000109147299 1411694277 /nfs/dbraw/zinc/69/42/77/1411694277.db2.gz PNTOCIGWBNWJBZ-VQTJNVASSA-N 0 3 381.432 3.450 20 5 GGBDHN Cc1ccc([C@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)N(C)C)cc1 ZINC000109289343 1411732977 /nfs/dbraw/zinc/73/29/77/1411732977.db2.gz SIHCSTZZDGZXDE-FQEVSTJZSA-N 0 3 393.447 3.122 20 5 GGBDHN Cc1ccc([C@@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)N(C)C)cc1 ZINC000109289340 1411733069 /nfs/dbraw/zinc/73/30/69/1411733069.db2.gz SIHCSTZZDGZXDE-HXUWFJFHSA-N 0 3 393.447 3.122 20 5 GGBDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000109313000 1411738459 /nfs/dbraw/zinc/73/84/59/1411738459.db2.gz HAAMZPSYGNNCQR-SFHVURJKSA-N 0 3 398.463 3.125 20 5 GGBDHN CC(C)N1CCN(c2ccc(C(=O)NCc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000109487324 1411773236 /nfs/dbraw/zinc/77/32/36/1411773236.db2.gz IZICVASHQIJKJX-UHFFFAOYSA-N 0 3 382.464 3.055 20 5 GGBDHN Cc1ccc([C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000109503068 1411775056 /nfs/dbraw/zinc/77/50/56/1411775056.db2.gz IQIZNHHILUGPPB-LJQANCHMSA-N 0 3 383.448 3.235 20 5 GGBDHN O=C(CCCN1CCN(c2ccccc2)CC1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000109740400 1411807239 /nfs/dbraw/zinc/80/72/39/1411807239.db2.gz ABJWMYFSBRIDSN-UHFFFAOYSA-N 0 3 386.427 3.275 20 5 GGBDHN CCN(CC)[C@H](CNc1c([N+](=O)[O-])cc(CO)c(C)c1[N+](=O)[O-])c1ccco1 ZINC000110319358 1411844427 /nfs/dbraw/zinc/84/44/27/1411844427.db2.gz HXXLICFGVCTHJK-OAHLLOKOSA-N 0 3 392.412 3.392 20 5 GGBDHN CCN(CC)[C@@H](CNc1c([N+](=O)[O-])cc(CO)c(C)c1[N+](=O)[O-])c1ccco1 ZINC000110319354 1411844531 /nfs/dbraw/zinc/84/45/31/1411844531.db2.gz HXXLICFGVCTHJK-HNNXBMFYSA-N 0 3 392.412 3.392 20 5 GGBDHN C[C@@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(C)Cc1ccccc1 ZINC000110353008 1411846233 /nfs/dbraw/zinc/84/62/33/1411846233.db2.gz RAFBVQGLSKFEHN-INIZCTEOSA-N 0 3 393.447 3.031 20 5 GGBDHN CCN1CCCC[C@@H]1CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000110996175 1411881138 /nfs/dbraw/zinc/88/11/38/1411881138.db2.gz XMFFDRKMUKVYST-GFCCVEGCSA-N 0 3 389.374 3.140 20 5 GGBDHN CCN1CCCC[C@H]1CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000110996178 1411881177 /nfs/dbraw/zinc/88/11/77/1411881177.db2.gz XMFFDRKMUKVYST-LBPRGKRZSA-N 0 3 389.374 3.140 20 5 GGBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000111048537 1411884563 /nfs/dbraw/zinc/88/45/63/1411884563.db2.gz VHSLKCXFQSUESV-OAHLLOKOSA-N 0 3 391.493 3.311 20 5 GGBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000111227431 1411896570 /nfs/dbraw/zinc/89/65/70/1411896570.db2.gz LGYODDAXMPHHCA-HNNXBMFYSA-N 0 3 391.493 3.311 20 5 GGBDHN COc1cc(CNCCCC(=O)N2Cc3ccccc3C2)c([N+](=O)[O-])cc1OC ZINC000111405862 1411944519 /nfs/dbraw/zinc/94/45/19/1411944519.db2.gz LXZQSGYCUWATCS-UHFFFAOYSA-N 0 3 399.447 3.024 20 5 GGBDHN COc1cc(CNCCCC(=O)N2CCc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000111409550 1411945391 /nfs/dbraw/zinc/94/53/91/1411945391.db2.gz HYXGGHMUONNTKU-UHFFFAOYSA-N 0 3 399.447 3.071 20 5 GGBDHN CCN(CC)C(=O)[C@@H]1CCCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000112982348 1412250335 /nfs/dbraw/zinc/25/03/35/1412250335.db2.gz UWYJWTVTGLIRMW-KRWDZBQOSA-N 0 3 386.452 3.125 20 5 GGBDHN CC(C)[C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCOCC1 ZINC000113317064 1412291371 /nfs/dbraw/zinc/29/13/71/1412291371.db2.gz NGVDCARNISHZHK-GOSISDBHSA-N 0 3 390.509 3.165 20 5 GGBDHN COC(=O)N1CCC(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000113327797 1412293575 /nfs/dbraw/zinc/29/35/75/1412293575.db2.gz CQDYDQQZVQHKDX-UHFFFAOYSA-N 0 3 376.438 3.039 20 5 GGBDHN Cc1c(C(=O)Nc2ccc(C)cc2CN(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000113911841 1412350725 /nfs/dbraw/zinc/35/07/25/1412350725.db2.gz HLJZBUFZIBJZPH-UHFFFAOYSA-N 0 3 394.435 3.106 20 5 GGBDHN Cc1cccc(CN(CCN(C)C)C(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000114941058 1412553242 /nfs/dbraw/zinc/55/32/42/1412553242.db2.gz HDFUVINTMKWKND-UHFFFAOYSA-N 0 3 384.480 3.219 20 5 GGBDHN CN(C)[C@@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000116618437 1412887650 /nfs/dbraw/zinc/88/76/50/1412887650.db2.gz QQBAMWGPDUPNAF-KRWDZBQOSA-N 0 3 391.855 3.436 20 5 GGBDHN Cc1ccc(OC2CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000116883317 1412948762 /nfs/dbraw/zinc/94/87/62/1412948762.db2.gz FWQGMWDNRZLFMF-SFHVURJKSA-N 0 3 386.448 3.186 20 5 GGBDHN CCN1CCN(c2ccc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])c(C)c2)CC1 ZINC000117499714 1413043599 /nfs/dbraw/zinc/04/35/99/1413043599.db2.gz AGYSWKVXZQOOEL-UHFFFAOYSA-N 0 3 386.427 3.437 20 5 GGBDHN O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000118746618 1413214695 /nfs/dbraw/zinc/21/46/95/1413214695.db2.gz HVRDJEPOUORDKR-UHFFFAOYSA-N 0 3 393.827 3.114 20 5 GGBDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000118766802 1413216994 /nfs/dbraw/zinc/21/69/94/1413216994.db2.gz LVJQELYXQDWHMF-UHFFFAOYSA-N 0 3 395.887 3.242 20 5 GGBDHN O=C(CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccccc1Cl ZINC000118866457 1413253545 /nfs/dbraw/zinc/25/35/45/1413253545.db2.gz ROTYVRBTEWRZRV-ZDUSSCGKSA-N 0 3 389.843 3.158 20 5 GGBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCCc3nc(-c4ccccc4)no3)C2)nc1 ZINC000118866024 1413254184 /nfs/dbraw/zinc/25/41/84/1413254184.db2.gz CYSYNDKCNRTSKQ-INIZCTEOSA-N 0 3 394.435 3.159 20 5 GGBDHN O=C(CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1cccc(Cl)c1 ZINC000118866178 1413254371 /nfs/dbraw/zinc/25/43/71/1413254371.db2.gz YKSAMOPHIWWERJ-HNNXBMFYSA-N 0 3 389.843 3.158 20 5 GGBDHN CCCc1[n-]nc(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)c1[N+](=O)[O-] ZINC000119095486 1413334696 /nfs/dbraw/zinc/33/46/96/1413334696.db2.gz HSCCJBNVLJUKKQ-UHFFFAOYSA-N 0 3 395.847 3.117 20 5 GGBDHN COC(=O)[C@@H](C)[C@@H](NCCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000177417464 1428727770 /nfs/dbraw/zinc/72/77/70/1428727770.db2.gz CMTKRWNASNPDIJ-MGPUTAFESA-N 0 3 399.447 3.372 20 5 GGBDHN Cc1c(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000119570608 1413489338 /nfs/dbraw/zinc/48/93/38/1413489338.db2.gz UUYNGYRGNJHGQA-SCLBCKFNSA-N 0 3 398.419 3.062 20 5 GGBDHN C[C@H](NC(C)(C)CNS(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000119711676 1413541641 /nfs/dbraw/zinc/54/16/41/1413541641.db2.gz KDZLOUSTZDFFCY-LBPRGKRZSA-N 0 3 383.495 3.064 20 5 GGBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000120736417 1413888725 /nfs/dbraw/zinc/88/87/25/1413888725.db2.gz WLBNBXBUZJKPNL-UHFFFAOYSA-N 0 3 379.420 3.403 20 5 GGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000120922109 1413948902 /nfs/dbraw/zinc/94/89/02/1413948902.db2.gz AYCJWIJOLOPESY-GJZGRUSLSA-N 0 3 395.525 3.326 20 5 GGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000120921771 1413949003 /nfs/dbraw/zinc/94/90/03/1413949003.db2.gz AYCJWIJOLOPESY-GASCZTMLSA-N 0 3 395.525 3.326 20 5 GGBDHN CN(C)CCN(Cc1ccco1)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000121217175 1414046979 /nfs/dbraw/zinc/04/69/79/1414046979.db2.gz AVRGBDIOVZEIGL-UHFFFAOYSA-N 0 3 396.241 3.154 20 5 GGBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000121264371 1414064207 /nfs/dbraw/zinc/06/42/07/1414064207.db2.gz SRMCQVQNBOSJQB-CQSZACIVSA-N 0 3 377.466 3.259 20 5 GGBDHN COc1cccc([C@@H](CNc2cc(OC)c(OC)cc2[N+](=O)[O-])N(C)C)c1 ZINC000121528425 1414163295 /nfs/dbraw/zinc/16/32/95/1414163295.db2.gz ACAFCSVRWKLKNL-QGZVFWFLSA-N 0 3 375.425 3.335 20 5 GGBDHN Cc1c(C(=O)N(CCN(C)C)C2CCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000177560253 1428793815 /nfs/dbraw/zinc/79/38/15/1428793815.db2.gz GWMKWWATIBKBOM-UHFFFAOYSA-N 0 3 378.429 3.066 20 5 GGBDHN CC(C)N1CCN(c2cccc(NC(=O)Cc3ccccc3[N+](=O)[O-])c2)CC1 ZINC000122491299 1414479601 /nfs/dbraw/zinc/47/96/01/1414479601.db2.gz LRFWPSNJBQNTJS-UHFFFAOYSA-N 0 3 382.464 3.306 20 5 GGBDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000123184453 1414663298 /nfs/dbraw/zinc/66/32/98/1414663298.db2.gz FLCUXLCTNHRIPC-LJQANCHMSA-N 0 3 382.464 3.425 20 5 GGBDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000123744287 1414818782 /nfs/dbraw/zinc/81/87/82/1414818782.db2.gz UIXPFEVKHZPIPK-IBGZPJMESA-N 0 3 382.464 3.425 20 5 GGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000124584796 1414999651 /nfs/dbraw/zinc/99/96/51/1414999651.db2.gz HHCODJUAWKVEHI-HXUWFJFHSA-N 0 3 382.464 3.221 20 5 GGBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC1CCN(C(C)(C)C)CC1 ZINC000125453349 1415203730 /nfs/dbraw/zinc/20/37/30/1415203730.db2.gz VYHNGALTDZBTEZ-UHFFFAOYSA-N 0 3 389.905 3.098 20 5 GGBDHN Cc1ccc([C@@H](C)NC(=O)CC2(N3CCOCC3)CCCC2)cc1[N+](=O)[O-] ZINC000177876387 1428880044 /nfs/dbraw/zinc/88/00/44/1428880044.db2.gz VSDAJRHJIXMPFB-MRXNPFEDSA-N 0 3 375.469 3.116 20 5 GGBDHN CN(C)CCN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)C1CCCC1 ZINC000126149497 1415370507 /nfs/dbraw/zinc/37/05/07/1415370507.db2.gz VBKAYHZQQJTYQC-UHFFFAOYSA-N 0 3 384.274 3.304 20 5 GGBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000126469175 1415462127 /nfs/dbraw/zinc/46/21/27/1415462127.db2.gz ITAXORGEMGAIKW-FQEVSTJZSA-N 0 3 382.464 3.274 20 5 GGBDHN O=C(NC[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000178056880 1428959839 /nfs/dbraw/zinc/95/98/39/1428959839.db2.gz QLOPUSWORHWVIJ-QGZVFWFLSA-N 0 3 383.448 3.116 20 5 GGBDHN CC(C)(C)c1nn(Cc2ccccc2)cc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000126978059 1415623124 /nfs/dbraw/zinc/62/31/24/1415623124.db2.gz YDHCJXMAQIRXMP-UHFFFAOYSA-N 0 3 382.468 3.123 20 5 GGBDHN Cc1cc(CN(C)C)cc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1 ZINC000127102129 1415660420 /nfs/dbraw/zinc/66/04/20/1415660420.db2.gz BCNVQWIMGUJRNR-UHFFFAOYSA-N 0 3 379.420 3.403 20 5 GGBDHN COc1cc(CN2CCCN(Cc3ccccc3)CC2)c([N+](=O)[O-])cc1OC ZINC000127320402 1415735723 /nfs/dbraw/zinc/73/57/23/1415735723.db2.gz KUWMDAPJXLFWEK-UHFFFAOYSA-N 0 3 385.464 3.320 20 5 GGBDHN C[C@@H]1CN(CCC2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)C[C@@H](C)O1 ZINC000178237782 1429027529 /nfs/dbraw/zinc/02/75/29/1429027529.db2.gz OSJQWVCTQAVZNC-ZIAGYGMSSA-N 0 3 381.498 3.008 20 5 GGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000178239274 1429028274 /nfs/dbraw/zinc/02/82/74/1429028274.db2.gz RDEFUXUSSYCBCX-CALCHBBNSA-N 0 3 389.496 3.255 20 5 GGBDHN COC(=O)c1cc([N+](=O)[O-])c(NC2CCN(CCOC(C)C)CC2)cc1Cl ZINC000128396738 1415978381 /nfs/dbraw/zinc/97/83/81/1415978381.db2.gz HOGPJRXHZHNDOH-UHFFFAOYSA-N 0 3 399.875 3.336 20 5 GGBDHN Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)N(C)C)cc1 ZINC000128826199 1416078844 /nfs/dbraw/zinc/07/88/44/1416078844.db2.gz VTOPLOYKYPKLRM-IBGZPJMESA-N 0 3 378.432 3.484 20 5 GGBDHN Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)N(C)C)cc1 ZINC000128825973 1416078964 /nfs/dbraw/zinc/07/89/64/1416078964.db2.gz VTOPLOYKYPKLRM-LJQANCHMSA-N 0 3 378.432 3.484 20 5 GGBDHN CCC1(CC)[C@H](N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1OC ZINC000178365552 1429061741 /nfs/dbraw/zinc/06/17/41/1429061741.db2.gz JFYNJBLVXFYPEN-VUCTXSBTSA-N 0 3 379.457 3.114 20 5 GGBDHN C[C@@H](NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)[C@@H]1CN(C)CCO1 ZINC000129313502 1416189690 /nfs/dbraw/zinc/18/96/90/1416189690.db2.gz NNVOOYFLYYACAB-IERDGZPVSA-N 0 3 384.480 3.171 20 5 GGBDHN C[C@H](NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)[C@@H]1CN(C)CCO1 ZINC000129313267 1416189695 /nfs/dbraw/zinc/18/96/95/1416189695.db2.gz NNVOOYFLYYACAB-KKSFZXQISA-N 0 3 384.480 3.171 20 5 GGBDHN CC(=O)Nc1cccc([C@H](C)NCCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC000129731684 1416255033 /nfs/dbraw/zinc/25/50/33/1416255033.db2.gz WQNIRQIJFBYLQQ-LBPRGKRZSA-N 0 3 388.399 3.372 20 5 GGBDHN Cc1ccc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)cc1[N+](=O)[O-] ZINC000129974006 1416294634 /nfs/dbraw/zinc/29/46/34/1416294634.db2.gz FCFOCDHFBZETKE-UHFFFAOYSA-N 0 3 383.448 3.360 20 5 GGBDHN O=C(CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccc2c(c1)OCO2 ZINC000130032526 1416305864 /nfs/dbraw/zinc/30/58/64/1416305864.db2.gz MGZQLXWCZPODRQ-UHFFFAOYSA-N 0 3 383.404 3.317 20 5 GGBDHN CCn1c(=O)c2cc3ccccc3cc2nc1SCCCN1CCN(C)CC1 ZINC000130170740 1416331689 /nfs/dbraw/zinc/33/16/89/1416331689.db2.gz PGIRSMGAUNKECV-UHFFFAOYSA-N 0 3 396.560 3.299 20 5 GGBDHN Cc1nccn1CCCN(C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000130433391 1416377318 /nfs/dbraw/zinc/37/73/18/1416377318.db2.gz DPPYGWQTMDRZMU-GFCCVEGCSA-N 0 3 379.848 3.102 20 5 GGBDHN Cc1nccn1CCCN(C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000130433163 1416377623 /nfs/dbraw/zinc/37/76/23/1416377623.db2.gz DPPYGWQTMDRZMU-LBPRGKRZSA-N 0 3 379.848 3.102 20 5 GGBDHN O=[N+]([O-])c1ccc(OC2CCN(Cc3ccccc3N3CCOCC3)CC2)cc1 ZINC000130739760 1416439590 /nfs/dbraw/zinc/43/95/90/1416439590.db2.gz LCHCCQJGBIYHQU-UHFFFAOYSA-N 0 3 397.475 3.475 20 5 GGBDHN CS(=O)(=O)c1ccc(NCCNc2ccnc3ccccc32)c([N+](=O)[O-])c1 ZINC000131008512 1416495245 /nfs/dbraw/zinc/49/52/45/1416495245.db2.gz HQOGAYSWRBTRRD-UHFFFAOYSA-N 0 3 386.433 3.071 20 5 GGBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(c2nc3ccccc3s2)CC1 ZINC000131124552 1416512762 /nfs/dbraw/zinc/51/27/62/1416512762.db2.gz FDQMURNFJTWJIV-UHFFFAOYSA-N 0 3 384.461 3.246 20 5 GGBDHN Cn1ccnc1C[C@@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000131225668 1416526150 /nfs/dbraw/zinc/52/61/50/1416526150.db2.gz QKWNDUXQJQEVPX-HNNXBMFYSA-N 0 3 381.436 3.438 20 5 GGBDHN CN(C)[C@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)Cc1ccccc1 ZINC000131404822 1416552230 /nfs/dbraw/zinc/55/22/30/1416552230.db2.gz AHZHHZXSACAHDO-NRFANRHFSA-N 0 3 396.491 3.442 20 5 GGBDHN CN(C)CCN(Cc1ccco1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000131970873 1416662956 /nfs/dbraw/zinc/66/29/56/1416662956.db2.gz HAFGBYBMAZRYCQ-UHFFFAOYSA-N 0 3 398.366 3.385 20 5 GGBDHN COCCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C ZINC000132279411 1416728050 /nfs/dbraw/zinc/72/80/50/1416728050.db2.gz LLGBBMUZLKZDSG-INIZCTEOSA-N 0 3 395.525 3.184 20 5 GGBDHN CN(C)CCN(Cc1ccco1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000133945609 1417000218 /nfs/dbraw/zinc/00/02/18/1417000218.db2.gz XHUFHWOBQVHQAQ-UHFFFAOYSA-N 0 3 385.342 3.411 20 5 GGBDHN CCC(=O)N1CC[C@H](NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000134531516 1417083068 /nfs/dbraw/zinc/08/30/68/1417083068.db2.gz QSNXROUKYBHWQA-KRWDZBQOSA-N 0 3 382.464 3.463 20 5 GGBDHN C[C@H](CCS(C)(=O)=O)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000134594207 1417093711 /nfs/dbraw/zinc/09/37/11/1417093711.db2.gz BJUJRCMGNQCVBE-CYBMUJFWSA-N 0 3 396.440 3.439 20 5 GGBDHN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000134669155 1417110731 /nfs/dbraw/zinc/11/07/31/1417110731.db2.gz YNYMRJXQJABAJI-LSDHHAIUSA-N 0 3 379.457 3.351 20 5 GGBDHN O=c1cc(CN2CCC(N3CCCNC3=O)CC2)c2c(ccc3ccccc32)o1 ZINC000135419549 1417217869 /nfs/dbraw/zinc/21/78/69/1417217869.db2.gz MEQIDURTIZHWJJ-UHFFFAOYSA-N 0 3 391.471 3.326 20 5 GGBDHN COc1cc(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000137458307 1417386980 /nfs/dbraw/zinc/38/69/80/1417386980.db2.gz AKAXIQVAFWKAQI-HOCLYGCPSA-N 0 3 399.447 3.005 20 5 GGBDHN Cc1cccc([C@H]2CCCN2CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)n1 ZINC000140212854 1417492861 /nfs/dbraw/zinc/49/28/61/1417492861.db2.gz PHVAFVYGWLEQAI-QGZVFWFLSA-N 0 3 382.420 3.433 20 5 GGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]1c1cccc(C)n1 ZINC000140301988 1417497396 /nfs/dbraw/zinc/49/73/96/1417497396.db2.gz FTQCKXHKZDSGTR-GOSISDBHSA-N 0 3 384.436 3.473 20 5 GGBDHN O=C(CN1CCN(C2CCCCC2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000141775629 1417555353 /nfs/dbraw/zinc/55/53/53/1417555353.db2.gz QRLHSCHWSKUCCN-UHFFFAOYSA-N 0 3 380.876 3.137 20 5 GGBDHN O=C(CN1CCN(C2CCCCC2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000141788079 1417556855 /nfs/dbraw/zinc/55/68/55/1417556855.db2.gz FMVMPACATSEOQK-UHFFFAOYSA-N 0 3 380.876 3.137 20 5 GGBDHN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CNCCn1cc([N+](=O)[O-])cn1 ZINC000151243930 1417901789 /nfs/dbraw/zinc/90/17/89/1417901789.db2.gz JWIGFEIXGYPSDW-UHFFFAOYSA-N 0 3 388.859 3.096 20 5 GGBDHN COc1ccc(-c2ccc(CN[C@H](C)CO[C@H]3CCOC3)o2)c([N+](=O)[O-])c1 ZINC000151252692 1417904407 /nfs/dbraw/zinc/90/44/07/1417904407.db2.gz AJPPJCSOFUBVEM-CJNGLKHVSA-N 0 3 376.409 3.147 20 5 GGBDHN O=[N+]([O-])c1cnn(CCNCc2cn(-c3ccccc3)nc2-c2cccs2)c1 ZINC000151263187 1417907868 /nfs/dbraw/zinc/90/78/68/1417907868.db2.gz BLPJGSFMHQPGNB-UHFFFAOYSA-N 0 3 394.460 3.495 20 5 GGBDHN COc1ccc(CNCCn2cc([N+](=O)[O-])cn2)cc1OCc1ccccc1 ZINC000151287445 1417915846 /nfs/dbraw/zinc/91/58/46/1417915846.db2.gz QFCYSKKJDSFPBS-UHFFFAOYSA-N 0 3 382.420 3.169 20 5 GGBDHN CC(C)NC(=O)c1ccc(NCCCCN2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000151973593 1418109461 /nfs/dbraw/zinc/10/94/61/1418109461.db2.gz SLJSDZQQXSQYEY-IYBDPMFKSA-N 0 3 392.500 3.034 20 5 GGBDHN O=[N+]([O-])c1c(NC[C@H]2C[C@H](O)CN2Cc2ccccc2)ccc2ncccc21 ZINC000179261259 1429307900 /nfs/dbraw/zinc/30/79/00/1429307900.db2.gz LCKDWNMRKFXVBZ-SJORKVTESA-N 0 3 378.432 3.190 20 5 GGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@H](OCCO)C3)o2)c(Cl)c1 ZINC000179570032 1429440123 /nfs/dbraw/zinc/44/01/23/1429440123.db2.gz QZJIAVVHMAKSAY-AWEZNQCLSA-N 0 3 380.828 3.482 20 5 GGBDHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000152710208 1422218827 /nfs/dbraw/zinc/21/88/27/1422218827.db2.gz KDNOCAWNENOMSO-NRFANRHFSA-N 0 3 394.475 3.500 20 5 GGBDHN O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000152710104 1422219588 /nfs/dbraw/zinc/21/95/88/1422219588.db2.gz KDNOCAWNENOMSO-OAQYLSRUSA-N 0 3 394.475 3.500 20 5 GGBDHN O=C(NCCCN1CCc2ccccc2C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000152792564 1422250310 /nfs/dbraw/zinc/25/03/10/1422250310.db2.gz YGPADFQMHXLGOH-UHFFFAOYSA-N 0 3 394.475 3.111 20 5 GGBDHN O=C(Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000153007072 1422324032 /nfs/dbraw/zinc/32/40/32/1422324032.db2.gz DOQUAKRHZWZJDT-LJQANCHMSA-N 0 3 391.431 3.491 20 5 GGBDHN Cc1cccc(NC2CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000153030773 1422332810 /nfs/dbraw/zinc/33/28/10/1422332810.db2.gz IWWWGSZMZOJLHZ-FQEVSTJZSA-N 0 3 385.464 3.219 20 5 GGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000153109298 1422359436 /nfs/dbraw/zinc/35/94/36/1422359436.db2.gz QSPUNCQZVXCYGZ-CQSZACIVSA-N 0 3 378.450 3.036 20 5 GGBDHN Cc1c([C@H](C)NCCOc2ccc(S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000153109866 1422359620 /nfs/dbraw/zinc/35/96/20/1422359620.db2.gz LLIPOMYZBFUKSL-AWEZNQCLSA-N 0 3 378.450 3.036 20 5 GGBDHN CCCCCCNC(=O)[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000153829177 1422784494 /nfs/dbraw/zinc/78/44/94/1422784494.db2.gz SQLOYXYPHSIMSC-MJGOQNOKSA-N 0 3 377.485 3.037 20 5 GGBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)N(C)Cc1ccccc1 ZINC000153899420 1422807784 /nfs/dbraw/zinc/80/77/84/1422807784.db2.gz QZKXSBWNESNAQK-OAHLLOKOSA-N 0 3 378.432 3.393 20 5 GGBDHN C[C@@H](Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000153937002 1422813803 /nfs/dbraw/zinc/81/38/03/1422813803.db2.gz BUOOGIIYFPVKOF-NVXWUHKLSA-N 0 3 397.479 3.329 20 5 GGBDHN C[C@@H](Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000153937244 1422813886 /nfs/dbraw/zinc/81/38/86/1422813886.db2.gz BUOOGIIYFPVKOF-WBVHZDCISA-N 0 3 397.479 3.329 20 5 GGBDHN CCOc1ccc([C@H](C)N[C@H]2CCN(C(=O)C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000154268260 1422864600 /nfs/dbraw/zinc/86/46/00/1422864600.db2.gz SXGFWSDEVYBWQH-YOEHRIQHSA-N 0 3 375.469 3.435 20 5 GGBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000154585352 1422944734 /nfs/dbraw/zinc/94/47/34/1422944734.db2.gz XYEZZONOUHCKJI-MRXNPFEDSA-N 0 3 377.485 3.075 20 5 GGBDHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154640522 1422978177 /nfs/dbraw/zinc/97/81/77/1422978177.db2.gz VAPLUXGFNXAAAA-ZVZYQTTQSA-N 0 3 393.484 3.253 20 5 GGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1cccc(OCCN2CCOCC2)c1 ZINC000155169050 1423208067 /nfs/dbraw/zinc/20/80/67/1423208067.db2.gz APOGINGEFWSVAB-SFHVURJKSA-N 0 3 399.491 3.465 20 5 GGBDHN Cc1c([C@H](C)NCc2cccc(OCCN3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000155169268 1423208370 /nfs/dbraw/zinc/20/83/70/1423208370.db2.gz PMYYIIYCEVRZQW-SFHVURJKSA-N 0 3 399.491 3.465 20 5 GGBDHN C[C@@H](NCc1cccc(OCCN2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000155179212 1423215916 /nfs/dbraw/zinc/21/59/16/1423215916.db2.gz OTRTXWVBFYNPAX-QGZVFWFLSA-N 0 3 385.464 3.157 20 5 GGBDHN COc1cc(CN2CCN(C3CCCC3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179914447 1429637642 /nfs/dbraw/zinc/63/76/42/1429637642.db2.gz QPPNUKGBAKBDDE-UHFFFAOYSA-N 0 3 399.438 3.308 20 5 GGBDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000155550224 1423413717 /nfs/dbraw/zinc/41/37/17/1423413717.db2.gz JKLRKKZFULSYGD-INIZCTEOSA-N 0 3 382.464 3.264 20 5 GGBDHN CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1 ZINC000179923849 1429642928 /nfs/dbraw/zinc/64/29/28/1429642928.db2.gz PJRLBMKTSYLZBZ-OAHLLOKOSA-N 0 3 379.363 3.229 20 5 GGBDHN COc1ccc(NC(=O)CCN[C@@H](C)c2cc(F)ccc2OC)c([N+](=O)[O-])c1 ZINC000179932050 1429648608 /nfs/dbraw/zinc/64/86/08/1429648608.db2.gz ACCBVWGROSKRAI-LBPRGKRZSA-N 0 3 391.399 3.431 20 5 GGBDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000156143908 1423693487 /nfs/dbraw/zinc/69/34/87/1423693487.db2.gz BVHLCICQNXNBMQ-INIZCTEOSA-N 0 3 385.439 3.399 20 5 GGBDHN O=C(CC1(N2CCOCC2)CCCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000156874176 1423878747 /nfs/dbraw/zinc/87/87/47/1423878747.db2.gz UJAFHUKJIKOMBU-UHFFFAOYSA-N 0 3 387.480 3.121 20 5 GGBDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000157296504 1423978162 /nfs/dbraw/zinc/97/81/62/1423978162.db2.gz RBJPUGNOUXDXLH-UHFFFAOYSA-N 0 3 377.828 3.158 20 5 GGBDHN COc1cccc([C@H](O)CN(CCn2cc([N+](=O)[O-])cn2)Cc2ccccc2)c1 ZINC000157664287 1424061035 /nfs/dbraw/zinc/06/10/35/1424061035.db2.gz VGPDNOCJADXLNS-OAQYLSRUSA-N 0 3 396.447 3.036 20 5 GGBDHN CC(C)OCCOC[C@H](O)CN(C)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000158399113 1424245208 /nfs/dbraw/zinc/24/52/08/1424245208.db2.gz MWKSAIFPHLNUPZ-LJQANCHMSA-N 0 3 399.487 3.181 20 5 GGBDHN CC1CC[NH+](C2CCC([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000160971917 1424648735 /nfs/dbraw/zinc/64/87/35/1424648735.db2.gz RHUNXBCSEQQGBD-UHFFFAOYSA-N 0 3 399.488 3.055 20 5 GGBDHN Cc1c(CC(=O)NCC(C)(C)N2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000161139829 1424661631 /nfs/dbraw/zinc/66/16/31/1424661631.db2.gz KTMMAGSCTATIAC-UHFFFAOYSA-N 0 3 381.476 3.399 20 5 GGBDHN COc1cc(C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000161508268 1424697049 /nfs/dbraw/zinc/69/70/49/1424697049.db2.gz NPSKZMBAQJLMGW-UHFFFAOYSA-N 0 3 393.390 3.086 20 5 GGBDHN CC[C@@](C)(COc1ncccc1Cl)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000162528652 1424862485 /nfs/dbraw/zinc/86/24/85/1424862485.db2.gz VBGWIVIRJIQZIZ-SFHVURJKSA-N 0 3 392.843 3.419 20 5 GGBDHN Cc1c(CC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000163553151 1425016863 /nfs/dbraw/zinc/01/68/63/1425016863.db2.gz RRWRTHKUIXIYKK-UHFFFAOYSA-N 0 3 391.418 3.314 20 5 GGBDHN CN(C[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1)C(=O)OC(C)(C)C ZINC000170919335 1425392141 /nfs/dbraw/zinc/39/21/41/1425392141.db2.gz DZJYIGOCYHFHGE-OAHLLOKOSA-N 0 3 379.457 3.162 20 5 GGBDHN CC(=O)Nc1ccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000171049377 1425455184 /nfs/dbraw/zinc/45/51/84/1425455184.db2.gz MEEZVGTZFSIJLT-UHFFFAOYSA-N 0 3 379.420 3.244 20 5 GGBDHN O=C(CCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)NCc1cccnc1 ZINC000171051695 1425455752 /nfs/dbraw/zinc/45/57/52/1425455752.db2.gz KRNZBBWVXASLAT-UHFFFAOYSA-N 0 3 380.404 3.046 20 5 GGBDHN COCCN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000171754387 1425811886 /nfs/dbraw/zinc/81/18/86/1425811886.db2.gz UODOJKAHKYRLBC-UHFFFAOYSA-N 0 3 389.477 3.054 20 5 GGBDHN CCc1n[nH]c(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000171804140 1425825063 /nfs/dbraw/zinc/82/50/63/1425825063.db2.gz YGKFSSXTRZBMHI-QGZVFWFLSA-N 0 3 385.468 3.083 20 5 GGBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000171840968 1425832723 /nfs/dbraw/zinc/83/27/23/1425832723.db2.gz WGUXMSMNOOYVJL-UHFFFAOYSA-N 0 3 396.491 3.156 20 5 GGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCC2(N3CCSCC3)CCCCC2)c1 ZINC000173023038 1426311821 /nfs/dbraw/zinc/31/18/21/1426311821.db2.gz UPKZCCFLAFGQMG-UHFFFAOYSA-N 0 3 377.510 3.385 20 5 GGBDHN C[C@@H](N[C@H](C)c1cccc(-n2cccn2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000173202863 1426391118 /nfs/dbraw/zinc/39/11/18/1426391118.db2.gz SVEGUQSIKGJAMX-HUUCEWRRSA-N 0 3 379.420 3.458 20 5 GGBDHN C[C@H](NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000173435878 1426617098 /nfs/dbraw/zinc/61/70/98/1426617098.db2.gz JRVNWVQTWXOMRR-MEDUHNTESA-N 0 3 378.812 3.404 20 5 GGBDHN CCCc1[nH]nc(C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000173507720 1426676438 /nfs/dbraw/zinc/67/64/38/1426676438.db2.gz WNWMUMIBHIGYNQ-OAHLLOKOSA-N 0 3 385.468 3.007 20 5 GGBDHN C[C@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000173528899 1426702843 /nfs/dbraw/zinc/70/28/43/1426702843.db2.gz WDQSRVLIBGLQGX-KRWDZBQOSA-N 0 3 383.448 3.097 20 5 GGBDHN CN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000173705790 1426827353 /nfs/dbraw/zinc/82/73/53/1426827353.db2.gz YTTCYSAQMJHUDL-KRWDZBQOSA-N 0 3 393.447 3.208 20 5 GGBDHN C[C@@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(-n2cccn2)cc1 ZINC000174369045 1427123915 /nfs/dbraw/zinc/12/39/15/1427123915.db2.gz IJQPYSCEPVOBOQ-FOIQADDNSA-N 0 3 391.431 3.237 20 5 GGBDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cccn2)cc1 ZINC000174376504 1427127807 /nfs/dbraw/zinc/12/78/07/1427127807.db2.gz SEXNJFXUVFQHIL-CABCVRRESA-N 0 3 379.420 3.458 20 5 GGBDHN Cc1ccc(NC(=O)[C@@H]2CCCN(CCOc3cccc([N+](=O)[O-])c3)C2)nc1 ZINC000174600705 1427252160 /nfs/dbraw/zinc/25/21/60/1427252160.db2.gz SAWDCDYDSQQOGE-MRXNPFEDSA-N 0 3 384.436 3.028 20 5 GGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000175859696 1427937200 /nfs/dbraw/zinc/93/72/00/1427937200.db2.gz XTEZWHNAIRJEGX-UHFFFAOYSA-N 0 3 378.454 3.261 20 5 GGBDHN CCN(CC)[C@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccsc1 ZINC000180408598 1429860730 /nfs/dbraw/zinc/86/07/30/1429860730.db2.gz PRDWWAOXSOYFGU-OAHLLOKOSA-N 0 3 391.449 3.198 20 5 GGBDHN COc1ccc(NC(=O)CCN[C@H](C)c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000180417810 1429863165 /nfs/dbraw/zinc/86/31/65/1429863165.db2.gz KCEBIXGHVIADOP-GFCCVEGCSA-N 0 3 388.380 3.191 20 5 GGBDHN CCOc1ccc([C@@H](C)NCCNC(=O)c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000180425307 1429866351 /nfs/dbraw/zinc/86/63/51/1429866351.db2.gz ICAZDYUCWUPHEU-CQSZACIVSA-N 0 3 387.436 3.083 20 5 GGBDHN Cc1ccc(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c(CN(C)C)c1 ZINC000181133189 1430221248 /nfs/dbraw/zinc/22/12/48/1430221248.db2.gz OECIXKWVHNIRGK-LJQANCHMSA-N 0 3 382.420 3.097 20 5 GGBDHN CN(C(=O)CN[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000181216452 1430249881 /nfs/dbraw/zinc/24/98/81/1430249881.db2.gz GCSNVPHXBPSDSV-JXFKEZNVSA-N 0 3 383.448 3.315 20 5 GGBDHN CN(C(=O)CN[C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000181216468 1430249965 /nfs/dbraw/zinc/24/99/65/1430249965.db2.gz GCSNVPHXBPSDSV-OXJNMPFZSA-N 0 3 383.448 3.315 20 5 GGBDHN COc1ccc(NC(=O)CN[C@@H](C[C@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000181236916 1430254124 /nfs/dbraw/zinc/25/41/24/1430254124.db2.gz LNPZPEQOKRPRCT-BEFAXECRSA-N 0 3 399.447 3.299 20 5 GGBDHN COc1cccc(C2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000181647369 1430334398 /nfs/dbraw/zinc/33/43/98/1430334398.db2.gz YMTWRLIHJNVIRL-GOSISDBHSA-N 0 3 386.448 3.223 20 5 GGBDHN Cc1ccc([C@@H](C)NCCOc2cccc(S(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000181837390 1430370025 /nfs/dbraw/zinc/37/00/25/1430370025.db2.gz CZIRPCIXHPSBFQ-CQSZACIVSA-N 0 3 378.450 3.036 20 5 GGBDHN C[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccc(N2CCCC2)c1 ZINC000181872895 1430375388 /nfs/dbraw/zinc/37/53/88/1430375388.db2.gz HGUUGPJQIJEHAT-MRXNPFEDSA-N 0 3 394.475 3.435 20 5 GGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000182178825 1430425041 /nfs/dbraw/zinc/42/50/41/1430425041.db2.gz MWHXDWKPTOTUMX-CVEARBPZSA-N 0 3 392.477 3.077 20 5 GGBDHN CN(Cc1ccccc1C(F)(F)F)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182203172 1430429437 /nfs/dbraw/zinc/42/94/37/1430429437.db2.gz JTUQVJWJEHZEJP-CQSZACIVSA-N 0 3 384.354 3.485 20 5 GGBDHN CN(Cc1ccccc1C(F)(F)F)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182203151 1430429605 /nfs/dbraw/zinc/42/96/05/1430429605.db2.gz JTUQVJWJEHZEJP-AWEZNQCLSA-N 0 3 384.354 3.485 20 5 GGBDHN CCc1nc2c(s1)[C@@H](N(C)C[C@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC000182205957 1430429833 /nfs/dbraw/zinc/42/98/33/1430429833.db2.gz VGMINFQVEUJBMY-BBRMVZONSA-N 0 3 391.493 3.363 20 5 GGBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000182819235 1430546338 /nfs/dbraw/zinc/54/63/38/1430546338.db2.gz DKYRYPYLFBANOW-GJZGRUSLSA-N 0 3 384.358 3.181 20 5 GGBDHN Cc1ccc(CN(C)C)cc1NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000183232943 1430655045 /nfs/dbraw/zinc/65/50/45/1430655045.db2.gz YLCFWMDBVCMCAZ-LJQANCHMSA-N 0 3 382.420 3.097 20 5 GGBDHN COC[C@H](N[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CC1 ZINC000183441963 1430713138 /nfs/dbraw/zinc/71/31/38/1430713138.db2.gz VYXJOSZQLJBIPD-ABAIWWIYSA-N 0 3 390.465 3.060 20 5 GGBDHN COC(=O)c1cccc(NC(=O)C[C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000183450338 1430714818 /nfs/dbraw/zinc/71/48/18/1430714818.db2.gz SPWLKAVTBFIYKV-UONOGXRCSA-N 0 3 385.420 3.449 20 5 GGBDHN C[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccc(-n2cccn2)c1 ZINC000183584068 1430747561 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ZQRPDYMABGBCAK-INIZCTEOSA-N 0 3 396.369 3.427 20 5 GGBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cc2ccccc2c2cccnc12 ZINC000184360714 1430878016 /nfs/dbraw/zinc/87/80/16/1430878016.db2.gz ZZLRYLZCBLBGBZ-QGZVFWFLSA-N 0 3 376.504 3.144 20 5 GGBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cc2ccccc2c2cccnc12 ZINC000184360696 1430878111 /nfs/dbraw/zinc/87/81/11/1430878111.db2.gz ZZLRYLZCBLBGBZ-KRWDZBQOSA-N 0 3 376.504 3.144 20 5 GGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000184843039 1431000318 /nfs/dbraw/zinc/00/03/18/1431000318.db2.gz LDKOEFYSHKQZST-ZHALLVOQSA-N 0 3 391.512 3.169 20 5 GGBDHN C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000185631510 1431189077 /nfs/dbraw/zinc/18/90/77/1431189077.db2.gz ANQQKNILJNUKKG-RISCZKNCSA-N 0 3 375.812 3.341 20 5 GGBDHN C[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000185631532 1431189331 /nfs/dbraw/zinc/18/93/31/1431189331.db2.gz ANQQKNILJNUKKG-SMDDNHRTSA-N 0 3 375.812 3.341 20 5 GGBDHN COc1ccc(NC(=O)CCN2CC[C@@]3(C2)OCc2ccccc23)c([N+](=O)[O-])c1 ZINC000186627345 1431473350 /nfs/dbraw/zinc/47/33/50/1431473350.db2.gz SUPMNSVCSJVUGB-NRFANRHFSA-N 0 3 397.431 3.063 20 5 GGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@]2(C1)OCc1ccccc12 ZINC000186716010 1431499397 /nfs/dbraw/zinc/49/93/97/1431499397.db2.gz PGVXBOIAYJDMQI-OAQYLSRUSA-N 0 3 381.432 3.363 20 5 GGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@]2(C1)OCc1ccccc12 ZINC000186716028 1431499444 /nfs/dbraw/zinc/49/94/44/1431499444.db2.gz PGVXBOIAYJDMQI-NRFANRHFSA-N 0 3 381.432 3.363 20 5 GGBDHN C[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H](c1ccccc1)N(C)C ZINC000187233362 1431658503 /nfs/dbraw/zinc/65/85/03/1431658503.db2.gz CYHXSGIMCIJZSS-QKKBWIMNSA-N 0 3 380.448 3.426 20 5 GGBDHN C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H](c1ccccc1)N(C)C ZINC000187233418 1431658880 /nfs/dbraw/zinc/65/88/80/1431658880.db2.gz CYHXSGIMCIJZSS-SPLOXXLWSA-N 0 3 380.448 3.426 20 5 GGBDHN COc1cc(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)c([N+](=O)[O-])cc1OC ZINC000187253956 1431667945 /nfs/dbraw/zinc/66/79/45/1431667945.db2.gz FPQDCIPPECOQIF-ORAYPTAESA-N 0 3 387.436 3.033 20 5 GGBDHN C[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](c1ccccc1)N(C)C ZINC000187255589 1431668601 /nfs/dbraw/zinc/66/86/01/1431668601.db2.gz SWXDTSXWGNADMG-FOIQADDNSA-N 0 3 393.447 3.202 20 5 GGBDHN C[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H](c1ccccc1)N(C)C ZINC000187255549 1431668755 /nfs/dbraw/zinc/66/87/55/1431668755.db2.gz SWXDTSXWGNADMG-QRWLVFNGSA-N 0 3 393.447 3.202 20 5 GGBDHN C[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC000187264276 1431673073 /nfs/dbraw/zinc/67/30/73/1431673073.db2.gz CVBHPGQVMFADHV-FOIQADDNSA-N 0 3 393.447 3.202 20 5 GGBDHN CN(C)Cc1c2ccccc2oc1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188552759 1431894560 /nfs/dbraw/zinc/89/45/60/1431894560.db2.gz JCORIEUQBZPZHR-UHFFFAOYSA-N 0 3 395.415 3.306 20 5 GGBDHN COc1cc(CNC[C@@H]2CC[C@H](O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000188808467 1431983421 /nfs/dbraw/zinc/98/34/21/1431983421.db2.gz UBZMZAVWSQCGRA-AEFFLSMTSA-N 0 3 386.448 3.433 20 5 GGBDHN CCOC(=O)[C@@](C)(CN[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000189987316 1432300282 /nfs/dbraw/zinc/30/02/82/1432300282.db2.gz NNYGLQKROZVUPP-BTYIYWSLSA-N 0 3 399.447 3.032 20 5 GGBDHN CCOC(=O)[C@](C)(CN[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000189987333 1432300308 /nfs/dbraw/zinc/30/03/08/1432300308.db2.gz NNYGLQKROZVUPP-YCRPNKLZSA-N 0 3 399.447 3.032 20 5 GGBDHN COC(=O)c1cnc(NC[C@@H]2CCCN(Cc3cccs3)C2)c([N+](=O)[O-])c1 ZINC000190170863 1432332818 /nfs/dbraw/zinc/33/28/18/1432332818.db2.gz OYEIVHPXVWEJLU-ZDUSSCGKSA-N 0 3 390.465 3.162 20 5 GGBDHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000190422108 1432378732 /nfs/dbraw/zinc/37/87/32/1432378732.db2.gz SEQNZHBUYJONOL-LJQANCHMSA-N 0 3 384.436 3.007 20 5 GGBDHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)Nc1cccc([N+](=O)[O-])c1 ZINC000190421162 1432378894 /nfs/dbraw/zinc/37/88/94/1432378894.db2.gz OYVQSLVAJZRCAL-IBGZPJMESA-N 0 3 384.436 3.007 20 5 GGBDHN Cc1c(NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)cccc1[N+](=O)[O-] ZINC000190842491 1432503784 /nfs/dbraw/zinc/50/37/84/1432503784.db2.gz HYBQSPDRGPYZBL-GOSISDBHSA-N 0 3 398.463 3.316 20 5 GGBDHN CCO[C@@H]1C[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1(CC)CC ZINC000191070397 1432561640 /nfs/dbraw/zinc/56/16/40/1432561640.db2.gz FLBBKWPSHBCESV-DLBZAZTESA-N 0 3 379.457 3.115 20 5 GGBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000191384620 1432647625 /nfs/dbraw/zinc/64/76/25/1432647625.db2.gz JULCGAVKOGOMME-UHFFFAOYSA-N 0 3 378.473 3.223 20 5 GGBDHN COc1cc(CNC[C@@](C)(Cc2ccccc2)[C@@H](C)O)c([N+](=O)[O-])cc1OC ZINC000191714869 1432712183 /nfs/dbraw/zinc/71/21/83/1432712183.db2.gz IOLOKLGHOUACHD-QVKFZJNVSA-N 0 3 388.464 3.331 20 5 GGBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000192355225 1432835925 /nfs/dbraw/zinc/83/59/25/1432835925.db2.gz UKQONFVAQOGICW-NRFANRHFSA-N 0 3 399.491 3.374 20 5 GGBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000192355219 1432835942 /nfs/dbraw/zinc/83/59/42/1432835942.db2.gz UKQONFVAQOGICW-OAQYLSRUSA-N 0 3 399.491 3.374 20 5 GGBDHN COc1cccc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)c1[N+](=O)[O-] ZINC000192466284 1432848277 /nfs/dbraw/zinc/84/82/77/1432848277.db2.gz BXILSGKDSKUXEM-GOSISDBHSA-N 0 3 383.448 3.479 20 5 GGBDHN CNS(=O)(=O)c1ccc([C@H](C)N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192725491 1432880398 /nfs/dbraw/zinc/88/03/98/1432880398.db2.gz SYRKSIFHBJUEMR-ORAYPTAESA-N 0 3 389.477 3.231 20 5 GGBDHN CNS(=O)(=O)c1ccc([C@@H](C)N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192725533 1432880451 /nfs/dbraw/zinc/88/04/51/1432880451.db2.gz SYRKSIFHBJUEMR-YJYMSZOUSA-N 0 3 389.477 3.231 20 5 GGBDHN COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N(C)C)cc1OC ZINC000192905859 1432905523 /nfs/dbraw/zinc/90/55/23/1432905523.db2.gz AHTLZNSQJULUHY-MRXNPFEDSA-N 0 3 390.396 3.235 20 5 GGBDHN COc1ccc([C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C2CC2)cc1 ZINC000193344805 1432983227 /nfs/dbraw/zinc/98/32/27/1432983227.db2.gz DSLHQQQGYIBYGD-HXUWFJFHSA-N 0 3 385.420 3.291 20 5 GGBDHN COc1cccc([C@@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)N(C)C)c1 ZINC000193599118 1433026542 /nfs/dbraw/zinc/02/65/42/1433026542.db2.gz NIXRUWJIHQYLQQ-LJQANCHMSA-N 0 3 384.436 3.203 20 5 GGBDHN CN1CCC(N(Cc2ccco2)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000193823053 1433067321 /nfs/dbraw/zinc/06/73/21/1433067321.db2.gz LBSDCBJLKGMBPF-UHFFFAOYSA-N 0 3 386.452 3.036 20 5 GGBDHN CCN1CCC[C@H]1CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000193929771 1433086977 /nfs/dbraw/zinc/08/69/77/1433086977.db2.gz HONHYAKUJCWSDI-KRWDZBQOSA-N 0 3 383.448 3.388 20 5 GGBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000194235102 1433145425 /nfs/dbraw/zinc/14/54/25/1433145425.db2.gz OFXPMUCAHHEAAF-IBGZPJMESA-N 0 3 382.464 3.401 20 5 GGBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000194235084 1433145550 /nfs/dbraw/zinc/14/55/50/1433145550.db2.gz OFXPMUCAHHEAAF-LJQANCHMSA-N 0 3 382.464 3.401 20 5 GGBDHN COc1cccc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000194354277 1433165905 /nfs/dbraw/zinc/16/59/05/1433165905.db2.gz RYVKYYXSMFGWCW-UHFFFAOYSA-N 0 3 393.390 3.086 20 5 GGBDHN COc1cccc(C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000194354145 1433165982 /nfs/dbraw/zinc/16/59/82/1433165982.db2.gz XDFAPEXPNGBXTB-UHFFFAOYSA-N 0 3 391.855 3.461 20 5 GGBDHN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@H]2CCCN2C)cc1 ZINC000194701286 1433217407 /nfs/dbraw/zinc/21/74/07/1433217407.db2.gz FWBIHNNDWKACPJ-OAHLLOKOSA-N 0 3 385.420 3.220 20 5 GGBDHN CCN(CC)CCN(Cc1cccs1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000194757119 1433225523 /nfs/dbraw/zinc/22/55/23/1433225523.db2.gz NIQFFAHRMCKZGF-UHFFFAOYSA-N 0 3 397.522 3.189 20 5 GGBDHN COCCN1CCC(Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000194957632 1433272360 /nfs/dbraw/zinc/27/23/60/1433272360.db2.gz GKCWKPZCIOEWCY-UHFFFAOYSA-N 0 3 392.334 3.045 20 5 GGBDHN CCc1cc(NC2CCN(CCOC)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000194957414 1433272396 /nfs/dbraw/zinc/27/23/96/1433272396.db2.gz SMSWQACYIILCCG-UHFFFAOYSA-N 0 3 385.468 3.137 20 5 GGBDHN Cc1c(C(=O)NCc2ccccc2CN(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000195333903 1433320008 /nfs/dbraw/zinc/32/00/08/1433320008.db2.gz HPLLHRKVGYPHAL-UHFFFAOYSA-N 0 3 386.408 3.111 20 5 GGBDHN CC(C)N1CCN(c2ccc(C(=O)N(C)Cc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000195350918 1433321724 /nfs/dbraw/zinc/32/17/24/1433321724.db2.gz DWKCMBZAKSCPPH-UHFFFAOYSA-N 0 3 396.491 3.397 20 5 GGBDHN CN(C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000195352095 1433321877 /nfs/dbraw/zinc/32/18/77/1433321877.db2.gz BTTGTJHYOCBUPG-UHFFFAOYSA-N 0 3 383.448 3.340 20 5 GGBDHN Cc1cc(NC(=O)NCC2(N3CCSCC3)CCCC2)ccc1[N+](=O)[O-] ZINC000195663557 1433343848 /nfs/dbraw/zinc/34/38/48/1433343848.db2.gz HMMSUQJPWYENGW-UHFFFAOYSA-N 0 3 378.498 3.386 20 5 GGBDHN CCNC(=O)c1ccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000236978016 1433384566 /nfs/dbraw/zinc/38/45/66/1433384566.db2.gz QHJUIHWTCWSKRS-UHFFFAOYSA-N 0 3 393.447 3.035 20 5 GGBDHN O=[N+]([O-])c1ccccc1CNC[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000237645437 1433414588 /nfs/dbraw/zinc/41/45/88/1433414588.db2.gz QSKBJSJMGFJTLS-LJQANCHMSA-N 0 3 375.856 3.411 20 5 GGBDHN O=[N+]([O-])c1ccccc1CNC[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000237651344 1433414903 /nfs/dbraw/zinc/41/49/03/1433414903.db2.gz QSKBJSJMGFJTLS-IBGZPJMESA-N 0 3 375.856 3.411 20 5 GGBDHN O=[N+]([O-])c1cc(CNC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)cs1 ZINC000237794739 1433424706 /nfs/dbraw/zinc/42/47/06/1433424706.db2.gz WILAHNHRGHMKDG-INIZCTEOSA-N 0 3 381.885 3.473 20 5 GGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H](O)COCC3CC3)o2)c(Cl)c1 ZINC000238065366 1433441755 /nfs/dbraw/zinc/44/17/55/1433441755.db2.gz AIGNAUHLIIQJOL-AWEZNQCLSA-N 0 3 380.828 3.385 20 5 GGBDHN O=[N+]([O-])c1c(NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)ccc2ncccc21 ZINC000245614315 1433491252 /nfs/dbraw/zinc/49/12/52/1433491252.db2.gz LCKDWNMRKFXVBZ-IRXDYDNUSA-N 0 3 378.432 3.190 20 5 GGBDHN O=[N+]([O-])c1c(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)ccc2ncccc21 ZINC000245614311 1433491300 /nfs/dbraw/zinc/49/13/00/1433491300.db2.gz LCKDWNMRKFXVBZ-DLBZAZTESA-N 0 3 378.432 3.190 20 5 GGBDHN C[C@@H](N[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000246024803 1433558898 /nfs/dbraw/zinc/55/88/98/1433558898.db2.gz KRCHYAGLCQXYFI-UWVAXJGDSA-N 0 3 396.491 3.025 20 5 GGBDHN CCCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000246196093 1433580993 /nfs/dbraw/zinc/58/09/93/1433580993.db2.gz AGVMDQSROITWCQ-ROUUACIJSA-N 0 3 393.484 3.350 20 5 GGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000246295215 1433591205 /nfs/dbraw/zinc/59/12/05/1433591205.db2.gz BIRLVSFXLZDNNV-XHSDSOJGSA-N 0 3 395.525 3.081 20 5 GGBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000247204629 1433690515 /nfs/dbraw/zinc/69/05/15/1433690515.db2.gz CDSULLUPYGZRSG-MSOLQXFVSA-N 0 3 378.860 3.423 20 5 GGBDHN Cc1nc2c(s1)[C@H](N(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC000248464021 1433805031 /nfs/dbraw/zinc/80/50/31/1433805031.db2.gz QXQSWMVRUPETKI-CZUORRHYSA-N 0 3 377.466 3.109 20 5 GGBDHN CCc1nc2c(s1)[C@H](N(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC000248470728 1433805337 /nfs/dbraw/zinc/80/53/37/1433805337.db2.gz VGMINFQVEUJBMY-CZUORRHYSA-N 0 3 391.493 3.363 20 5 GGBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000248823577 1433824142 /nfs/dbraw/zinc/82/41/42/1433824142.db2.gz LQHPBRNHGVOHNP-QVKFZJNVSA-N 0 3 392.459 3.255 20 5 GGBDHN CCN1CCCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 ZINC000264602787 1434133425 /nfs/dbraw/zinc/13/34/25/1434133425.db2.gz FDYQDPRXIRPFBD-INIZCTEOSA-N 0 3 397.479 3.331 20 5 GGBDHN C[C@@H]1CCCCN1C[C@@H]1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000265078828 1434182597 /nfs/dbraw/zinc/18/25/97/1434182597.db2.gz QYLKTAVEOJJBIK-CVEARBPZSA-N 0 3 395.525 3.089 20 5 GGBDHN C[C@H]1CCCCN1C[C@H]1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000265078838 1434182625 /nfs/dbraw/zinc/18/26/25/1434182625.db2.gz QYLKTAVEOJJBIK-JKSUJKDBSA-N 0 3 395.525 3.089 20 5 GGBDHN CN(C)C(=O)[C@H]1CCC[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000265180316 1434195183 /nfs/dbraw/zinc/19/51/83/1434195183.db2.gz MYZTVRRFPACBMS-GJZGRUSLSA-N 0 3 388.493 3.455 20 5 GGBDHN CN(c1ncc([N+](=O)[O-])cc1Cl)C1CCN(CCc2ccccn2)CC1 ZINC000265572915 1434247213 /nfs/dbraw/zinc/24/72/13/1434247213.db2.gz VHVVCBVQKCYEAB-UHFFFAOYSA-N 0 3 375.860 3.182 20 5 GGBDHN O=C(NC1CCN(CCOc2ccc(F)cc2)CC1)c1csc([N+](=O)[O-])c1 ZINC000265768641 1434263781 /nfs/dbraw/zinc/26/37/81/1434263781.db2.gz NTMFLOAKJHKTIU-UHFFFAOYSA-N 0 3 393.440 3.069 20 5 GGBDHN COc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc([N+](=O)[O-])c1OC ZINC000266015149 1434296536 /nfs/dbraw/zinc/29/65/36/1434296536.db2.gz SBDYDWBJLVBVOA-UHFFFAOYSA-N 0 3 399.447 3.006 20 5 GGBDHN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)c1ccsc1 ZINC000266132554 1434305730 /nfs/dbraw/zinc/30/57/30/1434305730.db2.gz DMLUVCDLQKAKFK-INIZCTEOSA-N 0 3 376.438 3.328 20 5 GGBDHN CN(C)[C@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)c1ccsc1 ZINC000266132557 1434305763 /nfs/dbraw/zinc/30/57/63/1434305763.db2.gz DMLUVCDLQKAKFK-MRXNPFEDSA-N 0 3 376.438 3.328 20 5 GGBDHN COc1cc(CNCC(C)(C)C[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000266184814 1434309078 /nfs/dbraw/zinc/30/90/78/1434309078.db2.gz WPNIBBVEVXBMKM-NSHDSACASA-N 0 3 394.390 3.431 20 5 GGBDHN CN1CCC(N(Cc2ccco2)C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000266785702 1434375213 /nfs/dbraw/zinc/37/52/13/1434375213.db2.gz MASSJAWKHGTREJ-UHFFFAOYSA-N 0 3 386.452 3.036 20 5 GGBDHN Cc1nc([C@H]2CCCN([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n[nH]1 ZINC000268423901 1434521558 /nfs/dbraw/zinc/52/15/58/1434521558.db2.gz DISAKOLABMXONB-RISCZKNCSA-N 0 3 383.412 3.012 20 5 GGBDHN Cc1n[nH]c([C@H]2CCCN([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000268423901 1434521560 /nfs/dbraw/zinc/52/15/60/1434521560.db2.gz DISAKOLABMXONB-RISCZKNCSA-N 0 3 383.412 3.012 20 5 GGBDHN Cc1nnc([C@H]2CCCN([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)[nH]1 ZINC000268423901 1434521563 /nfs/dbraw/zinc/52/15/63/1434521563.db2.gz DISAKOLABMXONB-RISCZKNCSA-N 0 3 383.412 3.012 20 5 GGBDHN Cc1ccc([C@H](C)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1[N+](=O)[O-] ZINC000268829417 1434562268 /nfs/dbraw/zinc/56/22/68/1434562268.db2.gz QGZWQNGVPYWUFJ-KRWDZBQOSA-N 0 3 396.491 3.142 20 5 GGBDHN Cc1nc2ccccc2n1C[C@H]1CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000270111332 1434704114 /nfs/dbraw/zinc/70/41/14/1434704114.db2.gz DGTVIRPTDRYBPL-QGZVFWFLSA-N 0 3 393.447 3.016 20 5 GGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(OC2CCCCC2)CC1 ZINC000273005749 1434949430 /nfs/dbraw/zinc/94/94/30/1434949430.db2.gz IGMGWRPOGBDEJT-MRXNPFEDSA-N 0 3 378.469 3.148 20 5 GGBDHN CCOc1cc(NC(=O)N[C@H](C)C2=CCN(C)CC2)c([N+](=O)[O-])cc1OCC ZINC000273060368 1434956146 /nfs/dbraw/zinc/95/61/46/1434956146.db2.gz YJLPYUFQGKPDRS-CYBMUJFWSA-N 0 3 392.456 3.164 20 5 GGBDHN COc1cc(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cc([N+](=O)[O-])c1OC ZINC000274592616 1435080003 /nfs/dbraw/zinc/08/00/03/1435080003.db2.gz FQNIMDCOLSCGLV-SCLBCKFNSA-N 0 3 387.436 3.033 20 5 GGBDHN COCCCN1CCC(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000275881445 1435176767 /nfs/dbraw/zinc/17/67/67/1435176767.db2.gz WQFCXBUSIROBQY-UHFFFAOYSA-N 0 3 393.487 3.324 20 5 GGBDHN COc1ccc(OCCN[C@@H](Cc2nc(C)no2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000277359970 1435298048 /nfs/dbraw/zinc/29/80/48/1435298048.db2.gz XBQLVDYKMIYVJJ-KRWDZBQOSA-N 0 3 398.419 3.247 20 5 GGBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@H]21 ZINC000277559990 1435313026 /nfs/dbraw/zinc/31/30/26/1435313026.db2.gz JWCJPLAONBIVKM-PKOBYXMFSA-N 0 3 381.432 3.360 20 5 GGBDHN CCNC(=O)COc1cccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000278178640 1435367020 /nfs/dbraw/zinc/36/70/20/1435367020.db2.gz DGJSIGJDLXVCAF-FQEVSTJZSA-N 0 3 383.448 3.277 20 5 GGBDHN CC1(C)C[C@@H](NCc2ccc(NS(C)(=O)=O)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000279158093 1435466036 /nfs/dbraw/zinc/46/60/36/1435466036.db2.gz TYNIBMBOONEEMH-GOSISDBHSA-N 0 3 389.477 3.479 20 5 GGBDHN C[C@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC2(CCOCC2)O1 ZINC000279925558 1435564511 /nfs/dbraw/zinc/56/45/11/1435564511.db2.gz WMRAKEKPLUXVEK-HNNXBMFYSA-N 0 3 387.436 3.062 20 5 GGBDHN Cc1ccc([C@@H](NCCc2ccc([N+](=O)[O-])cc2)[C@H](C)S(C)(=O)=O)cc1 ZINC000280689887 1435704237 /nfs/dbraw/zinc/70/42/37/1435704237.db2.gz BBJWLMNQWODLDQ-KXBFYZLASA-N 0 3 376.478 3.210 20 5 GGBDHN Cc1ccc([C@H](NCCc2ccc([N+](=O)[O-])cc2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280689878 1435704555 /nfs/dbraw/zinc/70/45/55/1435704555.db2.gz BBJWLMNQWODLDQ-DNVCBOLYSA-N 0 3 376.478 3.210 20 5 GGBDHN O=[N+]([O-])c1cc(CN2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c2c(c1)COCO2 ZINC000280716064 1435708585 /nfs/dbraw/zinc/70/85/85/1435708585.db2.gz BTZITNDWSLXJLP-GUDVDZBRSA-N 0 3 376.453 3.367 20 5 GGBDHN O=c1[nH]c(N[C@H](CN2CCCC2)c2ccccc2)nc2ccc([N+](=O)[O-])cc21 ZINC000281064753 1435766869 /nfs/dbraw/zinc/76/68/69/1435766869.db2.gz ZMFHVTWPNVQAHG-GOSISDBHSA-N 0 3 379.420 3.493 20 5 GGBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN[C@@]3(CO)CCOc4ccccc43)o2)c1 ZINC000281446628 1435809212 /nfs/dbraw/zinc/80/92/12/1435809212.db2.gz AAFLBSMXCCCXJE-OAQYLSRUSA-N 0 3 395.415 3.052 20 5 GGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC2CCN(c3nccs3)CC2)c1 ZINC000282299547 1435842245 /nfs/dbraw/zinc/84/22/45/1435842245.db2.gz RRFFABGSFUPRIM-UHFFFAOYSA-N 0 3 384.408 3.411 20 5 GGBDHN COc1ccc([C@H](CN(C)C)NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000284489031 1436025553 /nfs/dbraw/zinc/02/55/53/1436025553.db2.gz VENBMFWCSKZZGP-FQEVSTJZSA-N 0 3 396.447 3.046 20 5 GGBDHN O=[N+]([O-])c1ccc2ccc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)nc2c1 ZINC001164725419 720366298 /nfs/dbraw/zinc/36/62/98/720366298.db2.gz NHXFDWPAWTYJCB-UXHICEINSA-N 0 3 375.432 3.391 20 5 GGBDHN O=[N+]([O-])c1cnc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)c2ccccc21 ZINC001164726978 720374650 /nfs/dbraw/zinc/37/46/50/720374650.db2.gz QAOUONJCMRSQMT-OALUTQOASA-N 0 3 375.432 3.391 20 5 GGBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164909258 721539169 /nfs/dbraw/zinc/53/91/69/721539169.db2.gz RAXGBYJLIRLXNW-WMZOPIPTSA-N 0 3 386.427 3.088 20 5 GGBDHN CCN1CCN(c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000018892165 210220352 /nfs/dbraw/zinc/22/03/52/210220352.db2.gz QAPWAXOUJNALKY-LFYBBSHMSA-N 0 3 380.448 3.389 20 5 GGBDHN O=C(NCc1ccccc1CN1CCCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000012786700 210009739 /nfs/dbraw/zinc/00/97/39/210009739.db2.gz IVLYRGHQOUWLOV-UHFFFAOYSA-N 0 3 397.431 3.239 20 5 GGBDHN CCc1ccc(C(=O)NCc2ccccc2CN2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000096007022 211292670 /nfs/dbraw/zinc/29/26/70/211292670.db2.gz VUDCOAOEFRYYNY-HXUWFJFHSA-N 0 3 397.475 3.044 20 5 GGBDHN CCc1ccc(C(=O)NCc2ccccc2CN2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000096007025 211292502 /nfs/dbraw/zinc/29/25/02/211292502.db2.gz VUDCOAOEFRYYNY-FQEVSTJZSA-N 0 3 397.475 3.044 20 5 GGBDHN Cc1c(C(=O)NCCc2ccc(OCCN3CCCC3)cc2)cccc1[N+](=O)[O-] ZINC000095460111 211244289 /nfs/dbraw/zinc/24/42/89/211244289.db2.gz LBXCXTRIYVAMSV-UHFFFAOYSA-N 0 3 397.475 3.350 20 5 GGBDHN O=C(CN(CC1CC1)CC1CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000115562607 564195026 /nfs/dbraw/zinc/19/50/26/564195026.db2.gz FZWUDCBCKNHECC-UHFFFAOYSA-N 0 3 382.258 3.418 20 5 GGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCc3nnc[nH]3)o2)c(Br)c1 ZINC000119160587 564257240 /nfs/dbraw/zinc/25/72/40/564257240.db2.gz DXQOBZUOEVZHIR-UHFFFAOYSA-N 0 3 392.213 3.068 20 5 GGBDHN Cc1c(Br)cc(C(=O)N2CCCC[C@H]2CN(C)C)cc1[N+](=O)[O-] ZINC000119978608 564297897 /nfs/dbraw/zinc/29/78/97/564297897.db2.gz ZAJXSMHRDUPAFB-ZDUSSCGKSA-N 0 3 384.274 3.222 20 5 GGBDHN C[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000026713077 564348605 /nfs/dbraw/zinc/34/86/05/564348605.db2.gz GNPGVGPRLBCYMF-BLLLJJGKSA-N 0 3 395.253 3.448 20 5 GGBDHN C[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000026713085 564348793 /nfs/dbraw/zinc/34/87/93/564348793.db2.gz GNPGVGPRLBCYMF-LRDDRELGSA-N 0 3 395.253 3.448 20 5 GGBDHN C[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000026713081 564349015 /nfs/dbraw/zinc/34/90/15/564349015.db2.gz GNPGVGPRLBCYMF-WBMJQRKESA-N 0 3 395.253 3.448 20 5 GGBDHN C[NH+](C)C1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCCCC1 ZINC000026956378 564351705 /nfs/dbraw/zinc/35/17/05/564351705.db2.gz BKJZNZJMBVLJGG-UHFFFAOYSA-N 0 3 389.905 3.181 20 5 GGBDHN CN(C)CCN(Cc1ccco1)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000121193620 564359172 /nfs/dbraw/zinc/35/91/72/564359172.db2.gz FAAMBFPJJNZLHO-UHFFFAOYSA-N 0 3 396.241 3.154 20 5 GGBDHN CC[C@@H]1CCCCN1CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000122633497 564421359 /nfs/dbraw/zinc/42/13/59/564421359.db2.gz YGGMPORXBVGXCW-GFCCVEGCSA-N 0 3 384.274 3.352 20 5 GGBDHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000122951358 564433093 /nfs/dbraw/zinc/43/30/93/564433093.db2.gz SJWZFPYGVXNAPB-UONOGXRCSA-N 0 3 382.258 3.056 20 5 GGBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000125986945 564533102 /nfs/dbraw/zinc/53/31/02/564533102.db2.gz IFMKNVXAWQGACI-CHWSQXEVSA-N 0 3 398.301 3.136 20 5 GGBDHN CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000130606310 564686939 /nfs/dbraw/zinc/68/69/39/564686939.db2.gz CVZOBISSCHODQN-INIZCTEOSA-N 0 3 392.253 3.390 20 5 GGBDHN O=c1ccc([N+](=O)[O-])cn1CCNC1(c2cccc(Br)c2)CCC1 ZINC000132883070 564756189 /nfs/dbraw/zinc/75/61/89/564756189.db2.gz ZIECTZJOFGGJND-UHFFFAOYSA-N 0 3 392.253 3.188 20 5 GGBDHN CN(CCNC(=O)c1ccc([N+](=O)[O-])cc1Br)Cc1ccccc1 ZINC000150841626 564893298 /nfs/dbraw/zinc/89/32/98/564893298.db2.gz XAZRVJRTIXURIK-UHFFFAOYSA-N 0 3 392.253 3.219 20 5 GGBDHN CCN1CCC(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)CC1 ZINC000151250211 564911791 /nfs/dbraw/zinc/91/17/91/564911791.db2.gz PAOLBTXVCCDYMH-UHFFFAOYSA-N 0 3 390.665 3.225 20 5 GGBDHN CN(C)C(=O)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000102425990 564929502 /nfs/dbraw/zinc/92/95/02/564929502.db2.gz FDBCQISXMKNSFO-UHFFFAOYSA-N 0 3 396.241 3.185 20 5 GGBDHN CN(C)Cc1ccccc1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000152861929 564974817 /nfs/dbraw/zinc/97/48/17/564974817.db2.gz XMXUDILEDXAZDH-UHFFFAOYSA-N 0 3 392.253 3.349 20 5 GGBDHN CCN1CCC(Nc2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000107809443 565003438 /nfs/dbraw/zinc/00/34/38/565003438.db2.gz UKXRFZRQACPYFX-UHFFFAOYSA-N 0 3 375.210 3.096 20 5 GGBDHN O=[N+]([O-])c1cc(I)ccc1NCCN1CCCCC1 ZINC000112590166 565064794 /nfs/dbraw/zinc/06/47/94/565064794.db2.gz IMPOYELTNYYZIL-UHFFFAOYSA-N 0 3 375.210 3.097 20 5 GGBDHN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H](N2CCCCC2)C1 ZINC000269340028 565187554 /nfs/dbraw/zinc/18/75/54/565187554.db2.gz VLXPTEBRMQBVFH-CQSZACIVSA-N 0 3 382.258 3.058 20 5 GGBDHN Cc1c(Br)cc(C(=O)N2CC[C@]3(C2)CCCN(C)C3)cc1[N+](=O)[O-] ZINC000294283469 565206276 /nfs/dbraw/zinc/20/62/76/565206276.db2.gz UWSAZLZCFQQRMU-QGZVFWFLSA-N 0 3 396.285 3.224 20 5 GGBDHN CN(C[C@H](O)c1ccccc1Br)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000295433901 565265548 /nfs/dbraw/zinc/26/55/48/565265548.db2.gz VZTVRDMECBDQDJ-SJORKVTESA-N 0 3 395.253 3.056 20 5 GGBDHN C[C@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000272711080 565295929 /nfs/dbraw/zinc/29/59/29/565295929.db2.gz KRXSXOAUFKUGRJ-JTQLQIEISA-N 0 3 383.246 3.129 20 5 GGBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000273288334 565315244 /nfs/dbraw/zinc/31/52/44/565315244.db2.gz PETKUIGGYZLFPR-LLVKDONJSA-N 0 3 384.274 3.160 20 5 GGBDHN CCN1CCC(N(C)C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CC1 ZINC000163989866 565354207 /nfs/dbraw/zinc/35/42/07/565354207.db2.gz USSSZYMFLQVLRV-UHFFFAOYSA-N 0 3 384.274 3.222 20 5 GGBDHN CCC[C@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000187785561 565354714 /nfs/dbraw/zinc/35/47/14/565354714.db2.gz JQHNGWJRVOFLJW-AWEZNQCLSA-N 0 3 383.495 3.066 20 5 GGBDHN C[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[C@@H]1N1CCN(C)CC1 ZINC000375380517 565384316 /nfs/dbraw/zinc/38/43/16/565384316.db2.gz PTLPBIGLHSMIEA-WBMJQRKESA-N 0 3 387.311 3.364 20 5 GGBDHN COc1cccc([C@@H](CNc2ncc([N+](=O)[O-])cc2Br)N(C)C)c1 ZINC000301500661 565490569 /nfs/dbraw/zinc/49/05/69/565490569.db2.gz WWELBHWXPMPZMN-OAHLLOKOSA-N 0 3 395.257 3.476 20 5 GGBDHN CN(CCNc1ncc(Br)cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000301708546 565506037 /nfs/dbraw/zinc/50/60/37/565506037.db2.gz WPDBGOXJZASXGX-UHFFFAOYSA-N 0 3 383.221 3.435 20 5 GGBDHN CN1CCC2(CCCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000378333108 565522359 /nfs/dbraw/zinc/52/23/59/565522359.db2.gz ICGKRYNCBGLMNF-UHFFFAOYSA-N 0 3 382.258 3.058 20 5 GGBDHN O=C(N[C@@H]1CCN(CC2CCCC2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000173280553 565543562 /nfs/dbraw/zinc/54/35/62/565543562.db2.gz SHPHEAXBXFOZFI-CYBMUJFWSA-N 0 3 396.285 3.352 20 5 GGBDHN C[C@@H](NCCNC(=O)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173341349 565550574 /nfs/dbraw/zinc/55/05/74/565550574.db2.gz PEERATVUYORIRS-GFCCVEGCSA-N 0 3 392.253 3.438 20 5 GGBDHN C[C@@H](NCCNC(=O)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000173412888 565556365 /nfs/dbraw/zinc/55/63/65/565556365.db2.gz WMRVBQBRBOCDSQ-GFCCVEGCSA-N 0 3 392.253 3.438 20 5 GGBDHN O=[N+]([O-])c1ccc(CCNCc2cc3c(cc2Br)OCO3)cc1 ZINC000321134687 565604483 /nfs/dbraw/zinc/60/44/83/565604483.db2.gz LLHJBCSHDVYAQH-UHFFFAOYSA-N 0 3 379.210 3.418 20 5 GGBDHN Cc1c(CNC[C@H](O)COc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000326317471 565623362 /nfs/dbraw/zinc/62/33/62/565623362.db2.gz ULZPGDDMQLYUPU-HNNXBMFYSA-N 0 3 395.253 3.195 20 5 GGBDHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000175017698 565673543 /nfs/dbraw/zinc/67/35/43/565673543.db2.gz PSCSGWZJINIEBC-WCQYABFASA-N 0 3 382.258 3.056 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000330481211 565708589 /nfs/dbraw/zinc/70/85/89/565708589.db2.gz OXQSGCCWNPRWFK-CYBMUJFWSA-N 0 3 396.285 3.366 20 5 GGBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000330573631 565712575 /nfs/dbraw/zinc/71/25/75/565712575.db2.gz ZHHTYQPNATWJKY-LBPRGKRZSA-N 0 3 398.301 3.089 20 5 GGBDHN O=C(N[C@@H]1CCN(CC2CCCC2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176020283 565740826 /nfs/dbraw/zinc/74/08/26/565740826.db2.gz YMUUVTIJGNHFIC-CQSZACIVSA-N 0 3 396.285 3.352 20 5 GGBDHN CN(Cc1ccc(Br)cc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193315960 565744612 /nfs/dbraw/zinc/74/46/12/565744612.db2.gz AVGLDTOHPZQHCB-HNNXBMFYSA-N 0 3 395.253 3.229 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000331419845 565759249 /nfs/dbraw/zinc/75/92/49/565759249.db2.gz KROKMEGWUHPWQO-CYBMUJFWSA-N 0 3 396.285 3.366 20 5 GGBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000331501459 565763478 /nfs/dbraw/zinc/76/34/78/565763478.db2.gz HHTBJDGNDVDVMZ-TZMCWYRMSA-N 0 3 383.901 3.426 20 5 GGBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000331517940 565764295 /nfs/dbraw/zinc/76/42/95/565764295.db2.gz DQHJRWCNHFODCI-JSGCOSHPSA-N 0 3 383.901 3.426 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000331530312 565765460 /nfs/dbraw/zinc/76/54/60/565765460.db2.gz PEJOPCBVNCJXAL-GXSJLCMTSA-N 0 3 382.258 3.021 20 5 GGBDHN COCC[C@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000282214480 565770864 /nfs/dbraw/zinc/77/08/64/565770864.db2.gz MHPGRPIQLNVZJP-LLVKDONJSA-N 0 3 399.241 3.104 20 5 GGBDHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000331827319 565787251 /nfs/dbraw/zinc/78/72/51/565787251.db2.gz JCLPJKQNLMPBCK-ZJUUUORDSA-N 0 3 388.287 3.118 20 5 GGBDHN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H](N2CCCC2)C1 ZINC000332220181 565818037 /nfs/dbraw/zinc/81/80/37/565818037.db2.gz VOUFOUMJJUHDSP-CQSZACIVSA-N 0 3 383.901 3.427 20 5 GGBDHN C[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000177049373 565825358 /nfs/dbraw/zinc/82/53/58/565825358.db2.gz YSVKOFPOKMKVGA-GFCCVEGCSA-N 0 3 384.274 3.208 20 5 GGBDHN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H](N2CCCCC2)C1 ZINC000332302968 565826925 /nfs/dbraw/zinc/82/69/25/565826925.db2.gz NREANUXXYKRQQD-AWEZNQCLSA-N 0 3 383.901 3.427 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000332368294 565832449 /nfs/dbraw/zinc/83/24/49/565832449.db2.gz WEBWXVAUUQKMPX-CYBMUJFWSA-N 0 3 396.285 3.366 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000284226906 565846431 /nfs/dbraw/zinc/84/64/31/565846431.db2.gz DQWIDEFKGLEWFB-MEBBXXQBSA-N 0 3 384.274 3.078 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1CCN(C2CC2)CC1 ZINC000284453490 565853674 /nfs/dbraw/zinc/85/36/74/565853674.db2.gz INHFYOZXFXSPHF-UHFFFAOYSA-N 0 3 382.258 3.022 20 5 GGBDHN CN(C)CCN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CCCC1 ZINC000177559342 565860010 /nfs/dbraw/zinc/86/00/10/565860010.db2.gz SVUIPVINFGFRCN-UHFFFAOYSA-N 0 3 384.274 3.304 20 5 GGBDHN CS(=O)(=O)[C@@H]1CCC[C@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000285200549 565893526 /nfs/dbraw/zinc/89/35/26/565893526.db2.gz OBUMZRXWANQCKG-GXTWGEPZSA-N 0 3 380.388 3.059 20 5 GGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCC1(CS(C)(=O)=O)CCC1 ZINC000414331870 565912432 /nfs/dbraw/zinc/91/24/32/565912432.db2.gz RCLFPZUBJUKPBN-CQSZACIVSA-N 0 3 386.539 3.270 20 5 GGBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000285939120 565933601 /nfs/dbraw/zinc/93/36/01/565933601.db2.gz USQYELDLJUCPBO-ABAIWWIYSA-N 0 3 382.258 3.056 20 5 GGBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000285979210 565935901 /nfs/dbraw/zinc/93/59/01/565935901.db2.gz XAPPNSPCRLLCTE-YPMHNXCESA-N 0 3 382.258 3.056 20 5 GGBDHN Cc1c(Br)cc(C(=O)N2CCC[C@@H]2CN2CCCC2)cc1[N+](=O)[O-] ZINC000178756980 565936420 /nfs/dbraw/zinc/93/64/20/565936420.db2.gz ZGLRZYPMJHUZSO-CQSZACIVSA-N 0 3 396.285 3.366 20 5 GGBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000236607414 565939613 /nfs/dbraw/zinc/93/96/13/565939613.db2.gz OPWRHCVVIFMQJR-UHFFFAOYSA-N 0 3 398.282 3.329 20 5 GGBDHN O=C(CCNCc1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1 ZINC000236617240 565940895 /nfs/dbraw/zinc/94/08/95/565940895.db2.gz YIFIJFHWMDXJMI-UHFFFAOYSA-N 0 3 378.226 3.476 20 5 GGBDHN O=C(NCCCNCc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000236630241 565941371 /nfs/dbraw/zinc/94/13/71/565941371.db2.gz SRLGKELAOCTWMG-UHFFFAOYSA-N 0 3 392.253 3.267 20 5 GGBDHN CC[C@H](NCc1cc(I)cc([N+](=O)[O-])c1)[C@@H](O)C(C)C ZINC000414525412 565945720 /nfs/dbraw/zinc/94/57/20/565945720.db2.gz JQBHAQIWMZAEKB-KBPBESRZSA-N 0 3 392.237 3.085 20 5 GGBDHN O=c1ccc([N+](=O)[O-])cn1CCN(Cc1cccc(Br)c1)C1CC1 ZINC000179314857 565972854 /nfs/dbraw/zinc/97/28/54/565972854.db2.gz HXSDGUAXMGRYNU-UHFFFAOYSA-N 0 3 392.253 3.184 20 5 GGBDHN Cc1c(Br)cc(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000245501508 565992986 /nfs/dbraw/zinc/99/29/86/565992986.db2.gz AUYCAPKSURGLPF-QMTHXVAHSA-N 0 3 384.274 3.078 20 5 GGBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000287336759 566012082 /nfs/dbraw/zinc/01/20/82/566012082.db2.gz VSFBBVDXSBZEIX-XHDPSFHLSA-N 0 3 382.258 3.056 20 5 GGBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000287415941 566017237 /nfs/dbraw/zinc/01/72/37/566017237.db2.gz ZTFOCUQBAUOWRK-XHDPSFHLSA-N 0 3 382.258 3.056 20 5 GGBDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000246158458 566018278 /nfs/dbraw/zinc/01/82/78/566018278.db2.gz HIWOGVJTRZGKFV-UPJWGTAASA-N 0 3 398.301 3.454 20 5 GGBDHN CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(C)(C)CN1CCCC1 ZINC000416107424 566034639 /nfs/dbraw/zinc/03/46/39/566034639.db2.gz OMGSVTDGWOSPBP-UHFFFAOYSA-N 0 3 384.274 3.304 20 5 GGBDHN CN1CCC2(CCCN2C(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000364430992 566051618 /nfs/dbraw/zinc/05/16/18/566051618.db2.gz UMGFIMKMURAKJG-UHFFFAOYSA-N 0 3 382.258 3.058 20 5 GGBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000288146546 566058372 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3.056 20 5 GGBDHN O=[N+]([O-])c1cc(I)cc(CN[C@H]2CCCc3cn[nH]c32)c1 ZINC000289567542 566129037 /nfs/dbraw/zinc/12/90/37/566129037.db2.gz ROBZXHSSCXSDNI-ZDUSSCGKSA-N 0 3 398.204 3.090 20 5 GGBDHN C[C@@H](NC[C@H](O)COc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000181361080 566136319 /nfs/dbraw/zinc/13/63/19/566136319.db2.gz SGUNENLMDAABAH-DOMZBBRYSA-N 0 3 395.253 3.448 20 5 GGBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000290540188 566177896 /nfs/dbraw/zinc/17/78/96/566177896.db2.gz OMVBSCYYFKZVJR-RYUDHWBXSA-N 0 3 382.258 3.056 20 5 GGBDHN COCCC(=O)N1CCC(NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000290785465 566189276 /nfs/dbraw/zinc/18/92/76/566189276.db2.gz CQTGSNTVSIXZCC-UHFFFAOYSA-N 0 3 390.267 3.019 20 5 GGBDHN CCN1CCN(CCCNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000290893652 566194695 /nfs/dbraw/zinc/19/46/95/566194695.db2.gz NFJHBMKEYZDGBQ-UHFFFAOYSA-N 0 3 375.300 3.019 20 5 GGBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000183158969 566239748 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O=C(N[C@H]1CCCN2CCCC[C@H]12)c1c(Br)cccc1[N+](=O)[O-] ZINC000600085400 566314567 /nfs/dbraw/zinc/31/45/67/566314567.db2.gz LGNUKNJQMJOGAR-QWHCGFSZSA-N 0 3 382.258 3.104 20 5 GGBDHN COC(=O)c1ccc(CNCCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000556597031 566316171 /nfs/dbraw/zinc/31/61/71/566316171.db2.gz UPBABELJYGARGZ-UHFFFAOYSA-N 0 3 393.237 3.476 20 5 GGBDHN Cc1c(Br)cc(C(=O)NCCN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000509687384 566329526 /nfs/dbraw/zinc/32/95/26/566329526.db2.gz XELCSRAZOZXGIV-UHFFFAOYSA-N 0 3 384.274 3.127 20 5 GGBDHN Cc1c(Br)cc(C(=O)N2CCCN(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000509851562 566342527 /nfs/dbraw/zinc/34/25/27/566342527.db2.gz ILWNZAOMFCEMIR-UHFFFAOYSA-N 0 3 384.274 3.222 20 5 GGBDHN Cc1c(Br)cc(C(=O)N[C@@H]2CCN(C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000510479887 566386029 /nfs/dbraw/zinc/38/60/29/566386029.db2.gz QOTRLVWZQSMGDL-CYBMUJFWSA-N 0 3 396.285 3.412 20 5 GGBDHN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CCN(C2CCC2)C1 ZINC000557836868 566426451 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RPZBPBMUCDZYDT-OZVIIMIRSA-N 0 3 396.285 3.160 20 5 GGBDHN Cc1ccc(CCNCc2cc(I)cc([N+](=O)[O-])c2)o1 ZINC000577921709 566476383 /nfs/dbraw/zinc/47/63/83/566476383.db2.gz QWJHJBHDXQZJJC-UHFFFAOYSA-N 0 3 386.189 3.433 20 5 GGBDHN CNC(=O)c1cccc(CCNCc2cc(Br)c([N+](=O)[O-])s2)c1 ZINC000602558326 566478621 /nfs/dbraw/zinc/47/86/21/566478621.db2.gz LDFKNTAZJCXQJB-UHFFFAOYSA-N 0 3 398.282 3.111 20 5 GGBDHN O=[N+]([O-])c1ccc2oc(CNCCCCn3cc(Br)cn3)nc2c1 ZINC000602647700 566484433 /nfs/dbraw/zinc/48/44/33/566484433.db2.gz KPEZPMTZQGAXGL-UHFFFAOYSA-N 0 3 394.229 3.265 20 5 GGBDHN CS(=O)(=O)CCCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000424176813 566517432 /nfs/dbraw/zinc/51/74/32/566517432.db2.gz YLDKCMKIWSVFTP-UHFFFAOYSA-N 0 3 386.857 3.423 20 5 GGBDHN C[NH+](C)C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCCCC1 ZINC000604029055 566550238 /nfs/dbraw/zinc/55/02/38/566550238.db2.gz GMLOYGYVKMXPJW-UHFFFAOYSA-N 0 3 389.905 3.181 20 5 GGBDHN O=[N+]([O-])c1cccc(CNC[C@H](CO)Cc2ccc(F)c(Br)c2)c1 ZINC000449685184 566592714 /nfs/dbraw/zinc/59/27/14/566592714.db2.gz TZGHUKVUGVUOIY-CQSZACIVSA-N 0 3 397.244 3.437 20 5 GGBDHN O=[N+]([O-])c1cc(I)cc(CNCCC[C@@H]2CCOC2)c1 ZINC000449691575 566594786 /nfs/dbraw/zinc/59/47/86/566594786.db2.gz XCPZZLGHZXSHBN-LLVKDONJSA-N 0 3 390.221 3.106 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)CC1(N(C)C)CCC1 ZINC000560113112 566599276 /nfs/dbraw/zinc/59/92/76/566599276.db2.gz BSWCSYBEPYSBSC-UHFFFAOYSA-N 0 3 384.274 3.222 20 5 GGBDHN C[C@@]1(F)CNCCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000579334510 566599329 /nfs/dbraw/zinc/59/93/29/566599329.db2.gz PMZFEASEWRJOSP-OAHLLOKOSA-N 0 3 383.221 3.043 20 5 GGBDHN CCOc1ccc([C@@H](C)NCCn2cc(Br)cn2)cc1[N+](=O)[O-] ZINC000560580288 566639176 /nfs/dbraw/zinc/63/91/76/566639176.db2.gz DCEVQZMKRFFOOX-LLVKDONJSA-N 0 3 383.246 3.303 20 5 GGBDHN CC(=O)NC1CCC(N(C)Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425456985 566645282 /nfs/dbraw/zinc/64/52/82/566645282.db2.gz KEUVKHIKGFITMQ-UHFFFAOYSA-N 0 3 384.274 3.236 20 5 GGBDHN CC(=O)N1C[C@@H]2CCC[C@H](NCc3ccc(Br)cc3[N+](=O)[O-])[C@H]2C1 ZINC000425455749 566645700 /nfs/dbraw/zinc/64/57/00/566645700.db2.gz GYDUNYCWTNHGEL-BPUTZDHNSA-N 0 3 396.285 3.094 20 5 GGBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000540470658 566651612 /nfs/dbraw/zinc/65/16/12/566651612.db2.gz NSOHNKBWRCLWMW-QGZVFWFLSA-N 0 3 383.539 3.262 20 5 GGBDHN CC(C)[NH+](CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000467801793 566669487 /nfs/dbraw/zinc/66/94/87/566669487.db2.gz WSDOVAHASXSMKV-UHFFFAOYSA-N 0 3 377.894 3.035 20 5 GGBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000468476746 566704422 /nfs/dbraw/zinc/70/44/22/566704422.db2.gz XAKIPQFPJRUGNV-CQSZACIVSA-N 0 3 384.274 3.208 20 5 GGBDHN CN(CCCN(C)c1ncc(Br)cc1[N+](=O)[O-])Cc1ccco1 ZINC000561436333 566705023 /nfs/dbraw/zinc/70/50/23/566705023.db2.gz BPHZFFAPHGRBGS-UHFFFAOYSA-N 0 3 383.246 3.304 20 5 GGBDHN CCN1CCN(CC(C)(C)Nc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000450924184 566722554 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ZINC000611076240 566886944 /nfs/dbraw/zinc/88/69/44/566886944.db2.gz YAYNFLZBCIXIMA-CYBMUJFWSA-N 0 3 384.274 3.270 20 5 GGBDHN CC1(C)Cc2ccc(Br)cc2[C@@H]1NCCn1cc([N+](=O)[O-])cn1 ZINC000429287972 566919922 /nfs/dbraw/zinc/91/99/22/566919922.db2.gz VMEDWSYPNMKOQJ-HNNXBMFYSA-N 0 3 379.258 3.467 20 5 GGBDHN CCN(C[C@@H]1CCCN1CC)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000563916288 566928268 /nfs/dbraw/zinc/92/82/68/566928268.db2.gz LWTHNHKUEQFRQG-AWEZNQCLSA-N 0 3 384.274 3.304 20 5 GGBDHN COc1ccc([C@H](C)NCCn2c(C)ncc2[N+](=O)[O-])cc1Br ZINC000611621489 566931553 /nfs/dbraw/zinc/93/15/53/566931553.db2.gz BWSIBUSPGTXALJ-JTQLQIEISA-N 0 3 383.246 3.222 20 5 GGBDHN C[C@H](O)CC(C)(C)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000564131366 566948411 /nfs/dbraw/zinc/94/84/11/566948411.db2.gz FISDCFVORYNKJS-JTQLQIEISA-N 0 3 392.237 3.086 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)CC(C)C ZINC000583613407 566968771 /nfs/dbraw/zinc/96/87/71/566968771.db2.gz ZAUSCKBAYGPYCS-UHFFFAOYSA-N 0 3 386.290 3.326 20 5 GGBDHN C[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000429954388 566969165 /nfs/dbraw/zinc/96/91/65/566969165.db2.gz VJPQURYZHWQXDP-RYUDHWBXSA-N 0 3 384.274 3.350 20 5 GGBDHN C[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000429954389 566969894 /nfs/dbraw/zinc/96/98/94/566969894.db2.gz VJPQURYZHWQXDP-VXGBXAGGSA-N 0 3 384.274 3.350 20 5 GGBDHN CC(C)(C)C[C@@H](CO)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000564410509 566974657 /nfs/dbraw/zinc/97/46/57/566974657.db2.gz QAYJGEGCDDVPBG-LBPRGKRZSA-N 0 3 392.237 3.086 20 5 GGBDHN CC(C)(C)[C@@H](CCO)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000584807801 567072216 /nfs/dbraw/zinc/07/22/16/567072216.db2.gz PEMKEXDRRPWXAT-CYBMUJFWSA-N 0 3 392.237 3.086 20 5 GGBDHN Cc1c([C@@H](C)NCCn2cc(Br)ccc2=O)cccc1[N+](=O)[O-] ZINC000453255261 567069076 /nfs/dbraw/zinc/06/90/76/567069076.db2.gz RPCMPEZMLHURKE-GFCCVEGCSA-N 0 3 380.242 3.178 20 5 GGBDHN Cc1cc(N2CCC(OCCN(C)C)CC2)c(Br)cc1[N+](=O)[O-] ZINC000473516430 567086178 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ZINC000476393404 567320054 /nfs/dbraw/zinc/32/00/54/567320054.db2.gz YZSRIZIJMCOQEQ-LBPRGKRZSA-N 0 3 384.274 3.352 20 5 GGBDHN C[C@@H]1SCC[C@@H]1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000592379976 567334259 /nfs/dbraw/zinc/33/42/59/567334259.db2.gz GBWJDLFSMFDKNZ-UFBFGSQYSA-N 0 3 378.235 3.183 20 5 GGBDHN Cc1c(Br)cc(C(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000568676737 567347827 /nfs/dbraw/zinc/34/78/27/567347827.db2.gz OEDREANBTAAZQY-IUODEOHRSA-N 0 3 396.285 3.365 20 5 GGBDHN Cc1c(NC(=O)N[C@H]2CCCN(C)[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000435326248 567356522 /nfs/dbraw/zinc/35/65/22/567356522.db2.gz CEHFQVFDMCUOCO-PWSUYJOCSA-N 0 3 385.262 3.270 20 5 GGBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)[C@@H](CO)c1cccc(Br)c1 ZINC000501429281 567388738 /nfs/dbraw/zinc/38/87/38/567388738.db2.gz XINWOTHXSNKVPH-KRWDZBQOSA-N 0 3 395.253 3.402 20 5 GGBDHN O=[N+]([O-])c1cc(I)cc(CNC2Cc3ccccc3C2)c1 ZINC000569533716 567410810 /nfs/dbraw/zinc/41/08/10/567410810.db2.gz PWTHUUXAVWKJSS-UHFFFAOYSA-N 0 3 394.212 3.456 20 5 GGBDHN CN(C)CC(C)(C)NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000457229878 567450165 /nfs/dbraw/zinc/45/01/65/567450165.db2.gz ZTGTUTKLPGUNNW-UHFFFAOYSA-N 0 3 379.404 3.162 20 5 GGBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1Br ZINC000594195749 567464399 /nfs/dbraw/zinc/46/43/99/567464399.db2.gz ISTVZVQQRCFKDQ-GJZGRUSLSA-N 0 3 382.258 3.104 20 5 GGBDHN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCCN2CCCC[C@H]12 ZINC000594196665 567464933 /nfs/dbraw/zinc/46/49/33/567464933.db2.gz LJZOOVOYOFYKMX-UONOGXRCSA-N 0 3 383.901 3.473 20 5 GGBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1Br ZINC000594195751 567465024 /nfs/dbraw/zinc/46/50/24/567465024.db2.gz ISTVZVQQRCFKDQ-LSDHHAIUSA-N 0 3 382.258 3.104 20 5 GGBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594199437 567465286 /nfs/dbraw/zinc/46/52/86/567465286.db2.gz ZKSKLDRTZMLXRT-CVEARBPZSA-N 0 3 396.285 3.033 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594198079 567465335 /nfs/dbraw/zinc/46/53/35/567465335.db2.gz RITLCQDSGSSYAW-HOTGVXAUSA-N 0 3 396.285 3.412 20 5 GGBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1ccc(Br)cc1[N+](=O)[O-] ZINC000594196076 567465586 /nfs/dbraw/zinc/46/55/86/567465586.db2.gz KPGRPXRUPKUQDF-ZIAGYGMSSA-N 0 3 382.258 3.104 20 5 GGBDHN CO[C@H]1C[C@H](NCc2cc(I)cc([N+](=O)[O-])c2)C1(C)C ZINC000571452153 567563606 /nfs/dbraw/zinc/56/36/06/567563606.db2.gz OJSIRCHMJGAZSY-STQMWFEESA-N 0 3 390.221 3.103 20 5 GGBDHN CO[C@H]1C[C@@H](NCc2cc(I)cc([N+](=O)[O-])c2)C1(C)C ZINC000571452151 567563634 /nfs/dbraw/zinc/56/36/34/567563634.db2.gz OJSIRCHMJGAZSY-OLZOCXBDSA-N 0 3 390.221 3.103 20 5 GGBDHN O=[N+]([O-])c1cc(Br)ccc1CN1CCC[C@H](N2CCOCC2)CC1 ZINC000595471709 567566088 /nfs/dbraw/zinc/56/60/88/567566088.db2.gz DHSXARMFVYRNPY-INIZCTEOSA-N 0 3 398.301 3.044 20 5 GGBDHN CCCN(CCN1CCCC1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000553056520 567622936 /nfs/dbraw/zinc/62/29/36/567622936.db2.gz KFZSBGCLIPTMGC-UHFFFAOYSA-N 0 3 398.301 3.234 20 5 GGBDHN O=[N+]([O-])c1ccccc1CNC[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459686507 567650402 /nfs/dbraw/zinc/65/04/02/567650402.db2.gz BUOZBPXICDZQNS-ZDUSSCGKSA-N 0 3 397.244 3.437 20 5 GGBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000507081866 567658693 /nfs/dbraw/zinc/65/86/93/567658693.db2.gz BVFQJVAIEMMBGA-HOCLYGCPSA-N 0 3 383.539 3.215 20 5 GGBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000554128687 567710989 /nfs/dbraw/zinc/71/09/89/567710989.db2.gz QFZDRTPXSUIFFU-YWPYICTPSA-N 0 3 396.285 3.160 20 5 GGBDHN CCC[C@@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000443085528 567730490 /nfs/dbraw/zinc/73/04/90/567730490.db2.gz LADOKEWMVXIQJS-MRXNPFEDSA-N 0 3 383.495 3.066 20 5 GGBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000598262885 567752643 /nfs/dbraw/zinc/75/26/43/567752643.db2.gz NHDAWBYIRNUYKL-ZDUSSCGKSA-N 0 3 398.301 3.136 20 5 GGBDHN CC(C)(C)N1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000533220619 567759330 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0 3 399.447 3.372 20 5 GGBDHN COC(=O)[C@H](C)[C@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000177411768 1428724495 /nfs/dbraw/zinc/72/44/95/1428724495.db2.gz BGMCBLBTWPUJNC-QRWLVFNGSA-N 0 3 399.447 3.372 20 5 GGBDHN CN1CCC(N(Cc2ccccc2)C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000119566406 1413487814 /nfs/dbraw/zinc/48/78/14/1413487814.db2.gz BUKSZZKSPVNYDX-UHFFFAOYSA-N 0 3 385.439 3.399 20 5 GGBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000119851289 1413593066 /nfs/dbraw/zinc/59/30/66/1413593066.db2.gz HLJGSNOLIDMAGY-KXBFYZLASA-N 0 3 390.443 3.393 20 5 GGBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000119887241 1413605781 /nfs/dbraw/zinc/60/57/81/1413605781.db2.gz LAIUHHYCVYICBC-UHFFFAOYSA-N 0 3 378.473 3.223 20 5 GGBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000119941783 1413625696 /nfs/dbraw/zinc/62/56/96/1413625696.db2.gz LGYYYXNCDQSWFV-SJCJKPOMSA-N 0 3 375.375 3.123 20 5 GGBDHN Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000119963227 1413633935 /nfs/dbraw/zinc/63/39/35/1413633935.db2.gz NDJYQYVFTMQJKK-GUYCJALGSA-N 0 3 398.419 3.062 20 5 GGBDHN CCN(CC)[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000120070997 1413676008 /nfs/dbraw/zinc/67/60/08/1413676008.db2.gz PUWQBUGVLAOPSF-ZDUSSCGKSA-N 0 3 399.373 3.150 20 5 GGBDHN COc1cc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)ccc1[N+](=O)[O-] ZINC000120813855 1413911737 /nfs/dbraw/zinc/91/17/37/1413911737.db2.gz YXUCFKZPHKGTBQ-UHFFFAOYSA-N 0 3 399.447 3.060 20 5 GGBDHN C[C@H]1CN(Cc2ccccc2)CCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000121027111 1413981552 /nfs/dbraw/zinc/98/15/52/1413981552.db2.gz QHGLFXLKPRDAJS-KRWDZBQOSA-N 0 3 382.464 3.130 20 5 GGBDHN CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)Cc1ccccc1 ZINC000121033604 1413983868 /nfs/dbraw/zinc/98/38/68/1413983868.db2.gz KXVHVLHNWGECJO-MRXNPFEDSA-N 0 3 378.432 3.046 20 5 GGBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)nc1 ZINC000121332515 1414085779 /nfs/dbraw/zinc/08/57/79/1414085779.db2.gz SCYXPPOBODYQQZ-PXNSSMCTSA-N 0 3 398.463 3.234 20 5 GGBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000121608879 1414199308 /nfs/dbraw/zinc/19/93/08/1414199308.db2.gz FXHKGIDUUVXTAT-SFHVURJKSA-N 0 3 387.411 3.066 20 5 GGBDHN Cc1c(C(=O)NC[C@H](c2ccccc2)N(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000121712245 1414232122 /nfs/dbraw/zinc/23/21/22/1414232122.db2.gz AZRQYOKENCCDOI-QGZVFWFLSA-N 0 3 386.408 3.153 20 5 GGBDHN COc1cc([N+](=O)[O-])c(C(=O)N(CCN(C)C)C2CCCC2)cc1SC ZINC000177560599 1428793782 /nfs/dbraw/zinc/79/37/82/1428793782.db2.gz BXNSKGNYJUWUAG-UHFFFAOYSA-N 0 3 381.498 3.272 20 5 GGBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000122362863 1414435259 /nfs/dbraw/zinc/43/52/59/1414435259.db2.gz NGVGTCLMWPWHDK-OAHLLOKOSA-N 0 3 395.525 3.184 20 5 GGBDHN COc1ccc([C@H](CNc2ncc([N+](=O)[O-])cc2Cl)N(C)C)cc1OC ZINC000122571284 1414504590 /nfs/dbraw/zinc/50/45/90/1414504590.db2.gz LMYGANNBWQTTIE-AWEZNQCLSA-N 0 3 380.832 3.375 20 5 GGBDHN CC(C)N1CCN(c2cccc(NC(=O)CNc3ccccc3[N+](=O)[O-])c2)CC1 ZINC000123165887 1414658545 /nfs/dbraw/zinc/65/85/45/1414658545.db2.gz ARTNYMBXMKENIT-UHFFFAOYSA-N 0 3 397.479 3.176 20 5 GGBDHN O=C(Nc1cccc(CN2CCC(CO)CC2)c1)c1csc([N+](=O)[O-])c1 ZINC000177671795 1428829595 /nfs/dbraw/zinc/82/95/95/1428829595.db2.gz DUHLCPWJBFAXLJ-UHFFFAOYSA-N 0 3 375.450 3.113 20 5 GGBDHN CN(C)CCN(Cc1cccs1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000123746933 1414819301 /nfs/dbraw/zinc/81/93/01/1414819301.db2.gz KUNILYXSFHROSM-UHFFFAOYSA-N 0 3 386.477 3.271 20 5 GGBDHN COc1cc(CNC[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000124297220 1414932305 /nfs/dbraw/zinc/93/23/05/1414932305.db2.gz QVIZFZYKILUANR-SMDDNHRTSA-N 0 3 392.374 3.185 20 5 GGBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000124328703 1414940715 /nfs/dbraw/zinc/94/07/15/1414940715.db2.gz IIGKTCBZEDRTBH-GOSISDBHSA-N 0 3 379.416 3.436 20 5 GGBDHN Cc1ccc([C@H](C)NC(=O)CCN2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000177856288 1428874569 /nfs/dbraw/zinc/87/45/69/1428874569.db2.gz FECUGJPUSYMNEB-SFHVURJKSA-N 0 3 396.491 3.293 20 5 GGBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)o1 ZINC000126069279 1415349854 /nfs/dbraw/zinc/34/98/54/1415349854.db2.gz APQHKWVGCKNWKA-UHFFFAOYSA-N 0 3 386.452 3.275 20 5 GGBDHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178064870 1428965640 /nfs/dbraw/zinc/96/56/40/1428965640.db2.gz CUBAKWZXIIOAKQ-HNNXBMFYSA-N 0 3 398.463 3.089 20 5 GGBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000127571292 1415811438 /nfs/dbraw/zinc/81/14/38/1415811438.db2.gz SWVZJTDDXQBESM-YJBOKZPZSA-N 0 3 398.463 3.066 20 5 GGBDHN CCN1CCN(c2ccc(NC(=O)c3cc(C)cc([N+](=O)[O-])c3N)c(C)c2)CC1 ZINC000178149731 1429000015 /nfs/dbraw/zinc/00/00/15/1429000015.db2.gz AQMKKJWALOOGCU-UHFFFAOYSA-N 0 3 397.479 3.188 20 5 GGBDHN Cc1c(C(=O)N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000178260551 1429036018 /nfs/dbraw/zinc/03/60/18/1429036018.db2.gz GIKVDISNPOXBLD-HZPDHXFCSA-N 0 3 389.496 3.255 20 5 GGBDHN Cc1ccc([C@@H](C)NCCC(=O)N2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000128549558 1416010877 /nfs/dbraw/zinc/01/08/77/1416010877.db2.gz INYDBCNXPYFAJS-GOSISDBHSA-N 0 3 396.491 3.293 20 5 GGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000128565238 1416014724 /nfs/dbraw/zinc/01/47/24/1416014724.db2.gz FGPKIAAUPLXFSC-SFHVURJKSA-N 0 3 396.491 3.293 20 5 GGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000128565025 1416014741 /nfs/dbraw/zinc/01/47/41/1416014741.db2.gz FGPKIAAUPLXFSC-GOSISDBHSA-N 0 3 396.491 3.293 20 5 GGBDHN Cc1c([C@H](C)NCCC(=O)N2CCN(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000128565689 1416014820 /nfs/dbraw/zinc/01/48/20/1416014820.db2.gz CUSUTZAHPFNZKF-SFHVURJKSA-N 0 3 396.491 3.293 20 5 GGBDHN Cc1c(CC(=O)Nc2cccc(CN3CCC(CO)CC3)c2)cccc1[N+](=O)[O-] ZINC000129276149 1416183912 /nfs/dbraw/zinc/18/39/12/1416183912.db2.gz NOPDAFZYHITWQR-UHFFFAOYSA-N 0 3 397.475 3.289 20 5 GGBDHN C[C@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@@H]1CN(C)CCO1 ZINC000129428556 1416207736 /nfs/dbraw/zinc/20/77/36/1416207736.db2.gz UUPDGFLEINUHNA-XOBRGWDASA-N 0 3 389.427 3.335 20 5 GGBDHN COc1ccc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)cc1[N+](=O)[O-] ZINC000129954811 1416290335 /nfs/dbraw/zinc/29/03/35/1416290335.db2.gz HHVAGGOFCVKRHN-UHFFFAOYSA-N 0 3 399.447 3.060 20 5 GGBDHN COc1cc(CNCCc2cscn2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000130250533 1416346731 /nfs/dbraw/zinc/34/67/31/1416346731.db2.gz WNNUCJUAVXGTCH-UHFFFAOYSA-N 0 3 391.371 3.333 20 5 GGBDHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000131014840 1416496170 /nfs/dbraw/zinc/49/61/70/1416496170.db2.gz VUEYQVIYMPEPLB-OAHLLOKOSA-N 0 3 379.420 3.394 20 5 GGBDHN Cn1ccnc1C[C@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000131225911 1416526074 /nfs/dbraw/zinc/52/60/74/1416526074.db2.gz QKWNDUXQJQEVPX-OAHLLOKOSA-N 0 3 381.436 3.438 20 5 GGBDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000131870651 1416638001 /nfs/dbraw/zinc/63/80/01/1416638001.db2.gz OTVKLGUDZUAOCN-KRWDZBQOSA-N 0 3 396.491 3.397 20 5 GGBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000131870429 1416638255 /nfs/dbraw/zinc/63/82/55/1416638255.db2.gz OTVKLGUDZUAOCN-QGZVFWFLSA-N 0 3 396.491 3.397 20 5 GGBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000131979362 1416665062 /nfs/dbraw/zinc/66/50/62/1416665062.db2.gz BSZCLRDAOWVPRO-QGZVFWFLSA-N 0 3 383.448 3.097 20 5 GGBDHN CN(CCN1CCCC1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000132094778 1416694015 /nfs/dbraw/zinc/69/40/15/1416694015.db2.gz ZEWWGNYMGPRMGJ-UHFFFAOYSA-N 0 3 390.665 3.179 20 5 GGBDHN Cc1c(C(=O)NCC(C)(C)N2CCCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000132259246 1416725329 /nfs/dbraw/zinc/72/53/29/1416725329.db2.gz YQGZURGDZQVMSH-UHFFFAOYSA-N 0 3 378.429 3.114 20 5 GGBDHN CCOC(=O)c1ccnc(NC[C@H](c2cccs2)N2CCCC2)c1[N+](=O)[O-] ZINC000133146065 1416857201 /nfs/dbraw/zinc/85/72/01/1416857201.db2.gz ZHVUQLDWMQDWSL-CQSZACIVSA-N 0 3 390.465 3.477 20 5 GGBDHN CCOC(=O)c1ccnc(NC[C@@H](c2ccc(F)cc2)N(C)C)c1[N+](=O)[O-] ZINC000133406373 1416886764 /nfs/dbraw/zinc/88/67/64/1416886764.db2.gz CPVKIDAISDMZMN-HNNXBMFYSA-N 0 3 376.388 3.020 20 5 GGBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000133433263 1416889287 /nfs/dbraw/zinc/88/92/87/1416889287.db2.gz YJKDBPQHSUETNA-GOSISDBHSA-N 0 3 385.439 3.305 20 5 GGBDHN Cc1nc(NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)ccc1[N+](=O)[O-] ZINC000133746729 1416955487 /nfs/dbraw/zinc/95/54/87/1416955487.db2.gz GZTCFPRLSBRVEI-UHFFFAOYSA-N 0 3 383.452 3.081 20 5 GGBDHN C[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N(C)Cc1ccccc1 ZINC000133978866 1417004725 /nfs/dbraw/zinc/00/47/25/1417004725.db2.gz CTEADMDQZCTINF-OAHLLOKOSA-N 0 3 380.448 3.255 20 5 GGBDHN COc1cc(C(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000134013209 1417009833 /nfs/dbraw/zinc/00/98/33/1417009833.db2.gz TWAFLMJFBNTXKH-WMZOPIPTSA-N 0 3 381.432 3.360 20 5 GGBDHN C[C@@H](CCS(C)(=O)=O)NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000134585304 1417091767 /nfs/dbraw/zinc/09/17/67/1417091767.db2.gz BRHADPZEZSAHIQ-HNNXBMFYSA-N 0 3 391.493 3.276 20 5 GGBDHN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000134630257 1417101462 /nfs/dbraw/zinc/10/14/62/1417101462.db2.gz YPXVGXGUAYSPAT-HUUCEWRRSA-N 0 3 379.457 3.351 20 5 GGBDHN O=[N+]([O-])c1cc(CNC[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)cs1 ZINC000136495392 1417321091 /nfs/dbraw/zinc/32/10/91/1417321091.db2.gz OGDLODVBXVEWOK-GFCCVEGCSA-N 0 3 390.383 3.496 20 5 GGBDHN C[C@H]1CN(CC2CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000136848430 1417349958 /nfs/dbraw/zinc/34/99/58/1417349958.db2.gz BBADQSFPOGJJMF-KBPBESRZSA-N 0 3 395.887 3.210 20 5 GGBDHN C[C@@H]1CN(CC2CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000136848402 1417350000 /nfs/dbraw/zinc/35/00/00/1417350000.db2.gz BBADQSFPOGJJMF-OKILXGFUSA-N 0 3 395.887 3.210 20 5 GGBDHN C[C@@H]1CN(CC2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC2)C[C@H](C)O1 ZINC000136849040 1417350139 /nfs/dbraw/zinc/35/01/39/1417350139.db2.gz LFFMOMARRGNCFA-OKILXGFUSA-N 0 3 395.887 3.210 20 5 GGBDHN COc1ccc(CN(C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1OC(F)F ZINC000136921742 1417355360 /nfs/dbraw/zinc/35/53/60/1417355360.db2.gz MZBWQKNVVVGVCX-OAHLLOKOSA-N 0 3 382.363 3.370 20 5 GGBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@H](c1cccs1)N1CCCC1 ZINC000136928176 1417356405 /nfs/dbraw/zinc/35/64/05/1417356405.db2.gz SPNPSHIHQCOJEV-QGZVFWFLSA-N 0 3 388.493 3.335 20 5 GGBDHN C[C@@H]1C[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000137447598 1417385754 /nfs/dbraw/zinc/38/57/54/1417385754.db2.gz RNTYKRNOSFFSQL-AEFFLSMTSA-N 0 3 383.448 3.143 20 5 GGBDHN COc1cc(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000137458252 1417387186 /nfs/dbraw/zinc/38/71/86/1417387186.db2.gz AKAXIQVAFWKAQI-ZBFHGGJFSA-N 0 3 399.447 3.005 20 5 GGBDHN Cc1ccc([C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)N2CCCC2)cc1 ZINC000143050437 1417610415 /nfs/dbraw/zinc/61/04/15/1417610415.db2.gz PVCRSPKOZWYQHO-SFHVURJKSA-N 0 3 386.427 3.191 20 5 GGBDHN COc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)cc1[N+](=O)[O-] ZINC000143269113 1417622665 /nfs/dbraw/zinc/62/26/65/1417622665.db2.gz UIEVJHPNYXZOJA-IBGZPJMESA-N 0 3 383.448 3.479 20 5 GGBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C(C)C)N2CCc3ccccc3C2)c1 ZINC000146997918 1417736335 /nfs/dbraw/zinc/73/63/35/1417736335.db2.gz BVALBHSLDXMZJR-OAQYLSRUSA-N 0 3 397.475 3.416 20 5 GGBDHN COc1ccc([C@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000151030164 1417858937 /nfs/dbraw/zinc/85/89/37/1417858937.db2.gz ZGALBYBNOIJKGU-NRFANRHFSA-N 0 3 397.475 3.489 20 5 GGBDHN CCN1CCC[C@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000151248965 1417902982 /nfs/dbraw/zinc/90/29/82/1417902982.db2.gz PDXRYEYWWBNTHJ-JTQLQIEISA-N 0 3 390.665 3.225 20 5 GGBDHN COc1cc(CNCCn2cc([N+](=O)[O-])cn2)ccc1OCc1ccccc1 ZINC000151249331 1417903799 /nfs/dbraw/zinc/90/37/99/1417903799.db2.gz HKVHSECFORLNJS-UHFFFAOYSA-N 0 3 382.420 3.169 20 5 GGBDHN O=C(Nc1cccc(CNCCn2cc([N+](=O)[O-])cn2)c1)c1ccc(Cl)cc1 ZINC000151263393 1417907748 /nfs/dbraw/zinc/90/77/48/1417907748.db2.gz RUQQXMHUHYTRIA-UHFFFAOYSA-N 0 3 399.838 3.487 20 5 GGBDHN CN(C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)[C@H]1CCCN(C)C1 ZINC000151762180 1418080938 /nfs/dbraw/zinc/08/09/38/1418080938.db2.gz YFDIMEGKHAEDME-IBGZPJMESA-N 0 3 396.447 3.013 20 5 GGBDHN CN(C(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)[C@@H]1CCCN(C)C1 ZINC000151788189 1418086890 /nfs/dbraw/zinc/08/68/90/1418086890.db2.gz XNGLAIBPOHBCFB-LJQANCHMSA-N 0 3 396.447 3.013 20 5 GGBDHN COc1ccc([C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000152266355 1418189070 /nfs/dbraw/zinc/18/90/70/1418189070.db2.gz KHQGGHASYIMMHW-FQEVSTJZSA-N 0 3 383.448 3.099 20 5 GGBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@@H](c4nc(C5CC5)n[nH]4)C3)o2)cc1 ZINC000179514227 1429403963 /nfs/dbraw/zinc/40/39/63/1429403963.db2.gz JOAOSDIILWHAOV-CQSZACIVSA-N 0 3 395.423 3.020 20 5 GGBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@@H](c4n[nH]c(C5CC5)n4)C3)o2)cc1 ZINC000179514227 1429403968 /nfs/dbraw/zinc/40/39/68/1429403968.db2.gz JOAOSDIILWHAOV-CQSZACIVSA-N 0 3 395.423 3.020 20 5 GGBDHN CCOc1ccc([C@@H](C)NC[C@@H](O)COc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000153170249 1422380974 /nfs/dbraw/zinc/38/09/74/1422380974.db2.gz BKXUEMGLUUOSSP-CZUORRHYSA-N 0 3 378.400 3.223 20 5 GGBDHN CCOc1ccc([C@H](C)NCCNC(=O)c2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000153316836 1422464846 /nfs/dbraw/zinc/46/48/46/1422464846.db2.gz GPDRNIDTLKFBRT-AWEZNQCLSA-N 0 3 387.436 3.083 20 5 GGBDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000153352499 1422487270 /nfs/dbraw/zinc/48/72/70/1422487270.db2.gz KKBBFANRLFZYAQ-UHFFFAOYSA-N 0 3 391.855 3.087 20 5 GGBDHN CSc1ccc(C(=O)N(CCN(C)C)Cc2cccc(O)c2)cc1[N+](=O)[O-] ZINC000153442142 1422539336 /nfs/dbraw/zinc/53/93/36/1422539336.db2.gz LTUAOQDZPLWMRU-UHFFFAOYSA-N 0 3 389.477 3.226 20 5 GGBDHN CN1CCN(Cc2ccc(CNc3ncc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000153587380 1422635193 /nfs/dbraw/zinc/63/51/93/1422635193.db2.gz FRRWHBRAEHQPEQ-UHFFFAOYSA-N 0 3 375.860 3.003 20 5 GGBDHN CCOc1ccc([C@H](C)NC[C@@H](O)COc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000153633764 1422661972 /nfs/dbraw/zinc/66/19/72/1422661972.db2.gz LQPBCOANBVOFLY-GXTWGEPZSA-N 0 3 396.390 3.362 20 5 GGBDHN Cc1cc(NC(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000153842426 1422793388 /nfs/dbraw/zinc/79/33/88/1422793388.db2.gz ILXKPLGHWIRVBX-HOTGVXAUSA-N 0 3 390.484 3.256 20 5 GGBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)N(C)Cc1ccccc1 ZINC000153899315 1422807499 /nfs/dbraw/zinc/80/74/99/1422807499.db2.gz QZKXSBWNESNAQK-HNNXBMFYSA-N 0 3 378.432 3.393 20 5 GGBDHN Cn1cc(C(=O)N2CCN(C3CCCCC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000154953659 1423090121 /nfs/dbraw/zinc/09/01/21/1423090121.db2.gz OLHLTUMNLSXMPS-UHFFFAOYSA-N 0 3 397.479 3.086 20 5 GGBDHN Cc1ccc([C@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)N(C)C)cc1 ZINC000155209912 1423247772 /nfs/dbraw/zinc/24/77/72/1423247772.db2.gz IUBGJWLPWNTRQO-FQEVSTJZSA-N 0 3 382.464 3.274 20 5 GGBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000155258137 1423280500 /nfs/dbraw/zinc/28/05/00/1423280500.db2.gz NJPFIRPFXKTLEQ-OAHLLOKOSA-N 0 3 393.447 3.208 20 5 GGBDHN COc1ccc(OCCNC(C)(C)C(=O)NCC2CCCCC2)c([N+](=O)[O-])c1 ZINC000155306386 1423309791 /nfs/dbraw/zinc/30/97/91/1423309791.db2.gz IZXGVPYUBMFDLL-UHFFFAOYSA-N 0 3 393.484 3.047 20 5 GGBDHN C[C@H](c1ccncc1)N1CCC(NC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000155344248 1423326360 /nfs/dbraw/zinc/32/63/60/1423326360.db2.gz LSVGGLJQOFXOJY-MRXNPFEDSA-N 0 3 398.463 3.101 20 5 GGBDHN CN(C(=O)CCCN1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000158309359 1424222594 /nfs/dbraw/zinc/22/25/94/1424222594.db2.gz ZGKMLGJGUHDJRO-UHFFFAOYSA-N 0 3 382.464 3.160 20 5 GGBDHN COc1ccc([C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2C)N2CCCC2)cc1 ZINC000159433284 1424502218 /nfs/dbraw/zinc/50/22/18/1424502218.db2.gz IOPZCOQOSPKLPK-OAQYLSRUSA-N 0 3 397.475 3.408 20 5 GGBDHN CCN(CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1ccsc1 ZINC000160152833 1424579882 /nfs/dbraw/zinc/57/98/82/1424579882.db2.gz COVUBFCYVUJXFQ-MRXNPFEDSA-N 0 3 377.466 3.478 20 5 GGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000162529651 1424862510 /nfs/dbraw/zinc/86/25/10/1424862510.db2.gz HNKZIDZLXUSAHG-IYBDPMFKSA-N 0 3 390.484 3.256 20 5 GGBDHN C[C@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000171881145 1425841667 /nfs/dbraw/zinc/84/16/67/1425841667.db2.gz PFEHRCQBINUXGC-MRXNPFEDSA-N 0 3 393.447 3.031 20 5 GGBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000171982284 1425867170 /nfs/dbraw/zinc/86/71/70/1425867170.db2.gz ITOXPOCWLDNZGI-SFHVURJKSA-N 0 3 390.531 3.391 20 5 GGBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000172204363 1425946235 /nfs/dbraw/zinc/94/62/35/1425946235.db2.gz GHOXCWFLTBUJER-LJQANCHMSA-N 0 3 382.464 3.401 20 5 GGBDHN CC(C)N1CCN(c2ccc(C(=O)N3CCc4c3cccc4[N+](=O)[O-])cc2)CC1 ZINC000172421487 1426037230 /nfs/dbraw/zinc/03/72/30/1426037230.db2.gz XQZOHMONBTUHHD-UHFFFAOYSA-N 0 3 394.475 3.328 20 5 GGBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000172698629 1426149418 /nfs/dbraw/zinc/14/94/18/1426149418.db2.gz MAOVCVZJUWGNOS-QGZVFWFLSA-N 0 3 382.464 3.401 20 5 GGBDHN COc1ccc([C@@H](CNc2nc3sccn3c2[N+](=O)[O-])N(C)C)cc1OC ZINC000173085365 1426336028 /nfs/dbraw/zinc/33/60/28/1426336028.db2.gz BXCARKQEORUTTN-GFCCVEGCSA-N 0 3 391.453 3.036 20 5 GGBDHN C[C@@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(-n2cccn2)c1 ZINC000173206002 1426393375 /nfs/dbraw/zinc/39/33/75/1426393375.db2.gz LSKNQSJBQCCKRA-FOIQADDNSA-N 0 3 391.431 3.237 20 5 GGBDHN C[C@H](NCc1cccc(OCCN2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173353625 1426529859 /nfs/dbraw/zinc/52/98/59/1426529859.db2.gz VYHKEIUXGFWRPJ-KRWDZBQOSA-N 0 3 385.464 3.157 20 5 GGBDHN C[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000173529993 1426704554 /nfs/dbraw/zinc/70/45/54/1426704554.db2.gz IKCHISOMCXGQBM-QGZVFWFLSA-N 0 3 383.448 3.097 20 5 GGBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000173765392 1426844476 /nfs/dbraw/zinc/84/44/76/1426844476.db2.gz CDSULLUPYGZRSG-ZWKOTPCHSA-N 0 3 378.860 3.423 20 5 GGBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000173765376 1426844492 /nfs/dbraw/zinc/84/44/92/1426844492.db2.gz CDSULLUPYGZRSG-ROUUACIJSA-N 0 3 378.860 3.423 20 5 GGBDHN COc1ccc(NC(=O)CCN2CCC(C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000173769708 1426845209 /nfs/dbraw/zinc/84/52/09/1426845209.db2.gz PJCGASQJJBVZNI-UHFFFAOYSA-N 0 3 375.347 3.206 20 5 GGBDHN C[C@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000173995764 1426932695 /nfs/dbraw/zinc/93/26/95/1426932695.db2.gz KBEXPMUADMAJBJ-KRWDZBQOSA-N 0 3 382.464 3.130 20 5 GGBDHN Cc1cccc(N2CCN(CCC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000174062531 1426981849 /nfs/dbraw/zinc/98/18/49/1426981849.db2.gz YXNYVTVPAIICFU-SFHVURJKSA-N 0 3 396.491 3.293 20 5 GGBDHN O=C1OCCN1c1cccc2c1CCN(CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000174063136 1426981969 /nfs/dbraw/zinc/98/19/69/1426981969.db2.gz AJBPXPJOXJAVQC-UHFFFAOYSA-N 0 3 397.431 3.379 20 5 GGBDHN CCc1ccc(C(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000174168909 1427030427 /nfs/dbraw/zinc/03/04/27/1427030427.db2.gz BJAPRWVIPMXBMY-HZPDHXFCSA-N 0 3 389.496 3.119 20 5 GGBDHN CCc1ccc(C(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000174168894 1427030522 /nfs/dbraw/zinc/03/05/22/1427030522.db2.gz BJAPRWVIPMXBMY-IYBDPMFKSA-N 0 3 389.496 3.119 20 5 GGBDHN C[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(-n2cccn2)cc1 ZINC000174369035 1427123860 /nfs/dbraw/zinc/12/38/60/1427123860.db2.gz IJQPYSCEPVOBOQ-MGPUTAFESA-N 0 3 391.431 3.237 20 5 GGBDHN COc1cc(CNC[C@@H]2CCC[C@@H](O)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000174428274 1427152270 /nfs/dbraw/zinc/15/22/70/1427152270.db2.gz APCFCSLJNVUARJ-DGCLKSJQSA-N 0 3 392.374 3.185 20 5 GGBDHN NC(=O)COc1cccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000174604341 1427254685 /nfs/dbraw/zinc/25/46/85/1427254685.db2.gz TUZYOPWHEYUDAZ-UHFFFAOYSA-N 0 3 397.456 3.477 20 5 GGBDHN O=[N+]([O-])c1cnn(CCN2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000174814893 1427383607 /nfs/dbraw/zinc/38/36/07/1427383607.db2.gz PTLAGOQTDMDLOS-UHFFFAOYSA-N 0 3 397.401 3.018 20 5 GGBDHN CN1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000175064380 1427527020 /nfs/dbraw/zinc/52/70/20/1427527020.db2.gz FQAXUYUBJIGMST-UHFFFAOYSA-N 0 3 380.876 3.137 20 5 GGBDHN CN(C)CCN(Cc1cccs1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000175660919 1427848123 /nfs/dbraw/zinc/84/81/23/1427848123.db2.gz MMGMYMYTMPNVMV-UHFFFAOYSA-N 0 3 399.476 3.046 20 5 GGBDHN CCc1ccc(C(=O)NCc2ccccc2CN2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000176041513 1428043718 /nfs/dbraw/zinc/04/37/18/1428043718.db2.gz QQUXEOIBGYRLMZ-UHFFFAOYSA-N 0 3 397.475 3.044 20 5 GGBDHN C[C@@H]1CN(CC2CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000176060740 1428059432 /nfs/dbraw/zinc/05/94/32/1428059432.db2.gz PEKKWHPAELXIQE-OKILXGFUSA-N 0 3 395.887 3.210 20 5 GGBDHN C[C@@]1(O)CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000180199788 1429799795 /nfs/dbraw/zinc/79/97/95/1429799795.db2.gz SEYCFZAFLLZUEO-OAQYLSRUSA-N 0 3 378.432 3.404 20 5 GGBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H](COc1ccccc1F)c1ccccc1 ZINC000180307651 1429831848 /nfs/dbraw/zinc/83/18/48/1429831848.db2.gz UPMNYNKTJCYISF-LJQANCHMSA-N 0 3 397.406 3.306 20 5 GGBDHN CCN(CC)[C@@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccsc1 ZINC000180408575 1429860175 /nfs/dbraw/zinc/86/01/75/1429860175.db2.gz PRDWWAOXSOYFGU-HNNXBMFYSA-N 0 3 391.449 3.198 20 5 GGBDHN C[C@H](NCCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180420316 1429864103 /nfs/dbraw/zinc/86/41/03/1429864103.db2.gz GTHDYLAMUKTBIH-HNNXBMFYSA-N 0 3 396.447 3.401 20 5 GGBDHN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000180995752 1430158124 /nfs/dbraw/zinc/15/81/24/1430158124.db2.gz NRRXVWJOSJAAKU-UHFFFAOYSA-N 0 3 386.477 3.021 20 5 GGBDHN CN(C(=O)CN[C@@H](C[C@H]1CCOC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000181216482 1430250090 /nfs/dbraw/zinc/25/00/90/1430250090.db2.gz GCSNVPHXBPSDSV-UZLBHIALSA-N 0 3 383.448 3.315 20 5 GGBDHN C[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(N2CCCC2=O)c1 ZINC000181449449 1430302029 /nfs/dbraw/zinc/30/20/29/1430302029.db2.gz XOSPODIKPJCUEC-OAHLLOKOSA-N 0 3 396.447 3.401 20 5 GGBDHN Cc1cc(NCc2cccnc2N2CCN(C)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000181481873 1430307958 /nfs/dbraw/zinc/30/79/58/1430307958.db2.gz BMLQDVLMOOXUEN-UHFFFAOYSA-N 0 3 392.463 3.210 20 5 GGBDHN CN(Cc1ccccc1N1CCCC1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181499384 1430311177 /nfs/dbraw/zinc/31/11/77/1430311177.db2.gz UDUAYRIXNBEXSQ-GOSISDBHSA-N 0 3 385.464 3.067 20 5 GGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(COc2ccccc2)CC1 ZINC000181572853 1430321921 /nfs/dbraw/zinc/32/19/21/1430321921.db2.gz SVTQSNZIDQXTDP-SFHVURJKSA-N 0 3 386.448 3.126 20 5 GGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(OCC2CCCC2)CC1 ZINC000181977896 1430391305 /nfs/dbraw/zinc/39/13/05/1430391305.db2.gz SOWOMZBQVZVQQJ-QGZVFWFLSA-N 0 3 378.469 3.006 20 5 GGBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000182088872 1430409616 /nfs/dbraw/zinc/40/96/16/1430409616.db2.gz GSUXJTKSYJVARE-OAHLLOKOSA-N 0 3 378.432 3.393 20 5 GGBDHN CN(C)CCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182495701 1430477633 /nfs/dbraw/zinc/47/76/33/1430477633.db2.gz GRCWVYQVPYUHEA-UHFFFAOYSA-N 0 3 393.390 3.400 20 5 GGBDHN CC[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1c(C)noc1C ZINC000182514475 1430481435 /nfs/dbraw/zinc/48/14/35/1430481435.db2.gz RISJPQRXMRJQIF-CQSZACIVSA-N 0 3 376.413 3.278 20 5 GGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(CCCn2ccnc2)CC1 ZINC000182624724 1430504617 /nfs/dbraw/zinc/50/46/17/1430504617.db2.gz MLXGFGGYOLNKAL-UHFFFAOYSA-N 0 3 383.374 3.022 20 5 GGBDHN C[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccc(-n2cccn2)c1 ZINC000183572322 1430744303 /nfs/dbraw/zinc/74/43/03/1430744303.db2.gz JYRXYFBEFYNKMH-OAHLLOKOSA-N 0 3 391.431 3.020 20 5 GGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C)c1cccc(-n2cccn2)c1 ZINC000183583554 1430746898 /nfs/dbraw/zinc/74/68/98/1430746898.db2.gz SVAFGJKFTPVHLF-OAHLLOKOSA-N 0 3 379.420 3.378 20 5 GGBDHN COc1ccc(NC(=O)CN[C@@H](C)c2cccc(-n3cccn3)c2)c([N+](=O)[O-])c1 ZINC000183607928 1430753672 /nfs/dbraw/zinc/75/36/72/1430753672.db2.gz HNDWCSWVCSAGTI-AWEZNQCLSA-N 0 3 395.419 3.078 20 5 GGBDHN COc1ccc(NC(=O)CN[C@H](C)c2cccc(-n3cccn3)c2)c([N+](=O)[O-])c1 ZINC000183607943 1430753908 /nfs/dbraw/zinc/75/39/08/1430753908.db2.gz HNDWCSWVCSAGTI-CQSZACIVSA-N 0 3 395.419 3.078 20 5 GGBDHN CCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000183769001 1430790043 /nfs/dbraw/zinc/79/00/43/1430790043.db2.gz QLKARMXTEFJOPT-NRFANRHFSA-N 0 3 396.491 3.154 20 5 GGBDHN C[C@H](C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000184066858 1430836922 /nfs/dbraw/zinc/83/69/22/1430836922.db2.gz ZUAUONFKPWUGDK-SIFCLUCFSA-N 0 3 385.439 3.474 20 5 GGBDHN CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000184182173 1430852132 /nfs/dbraw/zinc/85/21/32/1430852132.db2.gz AZLLHPPRAPJZKJ-QGZVFWFLSA-N 0 3 393.447 3.208 20 5 GGBDHN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN[C@@]2(CO)CCOC2)cc1 ZINC000184192002 1430853879 /nfs/dbraw/zinc/85/38/79/1430853879.db2.gz DWLHVFPNFOZUAK-GOSISDBHSA-N 0 3 378.812 3.282 20 5 GGBDHN CCN1CCN(c2cccc(NC(=O)CCc3cccc([N+](=O)[O-])c3)c2)CC1 ZINC000184279516 1430866990 /nfs/dbraw/zinc/86/69/90/1430866990.db2.gz VURPZWLJNGOTEP-UHFFFAOYSA-N 0 3 382.464 3.308 20 5 GGBDHN COc1cc(CN2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c([N+](=O)[O-])cc1F ZINC000184290881 1430869014 /nfs/dbraw/zinc/86/90/14/1430869014.db2.gz ZRIKXMNTVUJLDL-LBPRGKRZSA-N 0 3 375.404 3.118 20 5 GGBDHN COc1cc(CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c([N+](=O)[O-])cc1F ZINC000184290881 1430869015 /nfs/dbraw/zinc/86/90/15/1430869015.db2.gz ZRIKXMNTVUJLDL-LBPRGKRZSA-N 0 3 375.404 3.118 20 5 GGBDHN C[C@H](C(=O)N(CCN(C)C)Cc1cccs1)c1ccc([N+](=O)[O-])cc1F ZINC000184740622 1430960396 /nfs/dbraw/zinc/96/03/96/1430960396.db2.gz BUOVITFEFMHRRA-ZDUSSCGKSA-N 0 3 379.457 3.489 20 5 GGBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000184842985 1431000407 /nfs/dbraw/zinc/00/04/07/1431000407.db2.gz LDKOEFYSHKQZST-SCTDSRPQSA-N 0 3 391.512 3.169 20 5 GGBDHN COc1cccc(N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000185531984 1431165349 /nfs/dbraw/zinc/16/53/49/1431165349.db2.gz YRDZIEARRYCDJI-IYBDPMFKSA-N 0 3 377.485 3.319 20 5 GGBDHN C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1COc2ccccc21 ZINC000185550266 1431168862 /nfs/dbraw/zinc/16/88/62/1431168862.db2.gz KVXHFAAVVRZBRY-SMDDNHRTSA-N 0 3 375.812 3.341 20 5 GGBDHN C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1COc2ccccc21 ZINC000185550244 1431168926 /nfs/dbraw/zinc/16/89/26/1431168926.db2.gz KVXHFAAVVRZBRY-RISCZKNCSA-N 0 3 375.812 3.341 20 5 GGBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)[C@@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC000185607836 1431182573 /nfs/dbraw/zinc/18/25/73/1431182573.db2.gz PEKSXWKYMSRUDV-XEZPLFJOSA-N 0 3 385.420 3.085 20 5 GGBDHN CC[C@H](NCc1ccc(N2CCCS2(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000186033999 1431315881 /nfs/dbraw/zinc/31/58/81/1431315881.db2.gz WKXAMPQOZJWJIU-IBGZPJMESA-N 0 3 389.477 3.376 20 5 GGBDHN CCOc1ccc(NC(=O)CN[C@@H]2CCCO[C@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000186386269 1431397796 /nfs/dbraw/zinc/39/77/96/1431397796.db2.gz LNDAQERTKHRSHR-AEFFLSMTSA-N 0 3 379.457 3.115 20 5 GGBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc(COc2ccccc2)[n-]1 ZINC000186426403 1431415506 /nfs/dbraw/zinc/41/55/06/1431415506.db2.gz YCPFXRXDWHGONM-HNNXBMFYSA-N 0 3 381.436 3.403 20 5 GGBDHN COc1ccc(NC(=O)CCN2CC[C@]3(C2)OCc2ccccc23)c([N+](=O)[O-])c1 ZINC000186627321 1431473375 /nfs/dbraw/zinc/47/33/75/1431473375.db2.gz SUPMNSVCSJVUGB-OAQYLSRUSA-N 0 3 397.431 3.063 20 5 GGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@]2(C1)OCc1ccccc12 ZINC000186687932 1431492867 /nfs/dbraw/zinc/49/28/67/1431492867.db2.gz ZGSSERUYZJQFGT-NRFANRHFSA-N 0 3 397.431 3.063 20 5 GGBDHN CCOC(=O)C[C@](C)(NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000186711833 1431498770 /nfs/dbraw/zinc/49/87/70/1431498770.db2.gz OZXJRSSEOORKRF-KRWDZBQOSA-N 0 3 385.848 3.144 20 5 GGBDHN C[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@H](c1ccccc1)N(C)C ZINC000187213335 1431650264 /nfs/dbraw/zinc/65/02/64/1431650264.db2.gz YJLKZFXCTURQIU-MGPUTAFESA-N 0 3 393.447 3.202 20 5 GGBDHN C[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@@H](c1ccccc1)N(C)C ZINC000187213312 1431650586 /nfs/dbraw/zinc/65/05/86/1431650586.db2.gz YJLKZFXCTURQIU-YWZLYKJASA-N 0 3 393.447 3.202 20 5 GGBDHN C[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@@H](c1ccccc1)N(C)C ZINC000187241858 1431661641 /nfs/dbraw/zinc/66/16/41/1431661641.db2.gz RYVNTRQFZFBEEN-QRWLVFNGSA-N 0 3 393.447 3.202 20 5 GGBDHN C[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H](c1ccccc1)N(C)C ZINC000187255532 1431668310 /nfs/dbraw/zinc/66/83/10/1431668310.db2.gz SWXDTSXWGNADMG-YWZLYKJASA-N 0 3 393.447 3.202 20 5 GGBDHN C[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000187264239 1431672255 /nfs/dbraw/zinc/67/22/55/1431672255.db2.gz CVBHPGQVMFADHV-QRWLVFNGSA-N 0 3 393.447 3.202 20 5 GGBDHN COc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(OC)c2)N(C)C)cc1OC ZINC000189405719 1432099788 /nfs/dbraw/zinc/09/97/88/1432099788.db2.gz UKEREIQZGRMUCE-INIZCTEOSA-N 0 3 375.425 3.335 20 5 GGBDHN COc1ccc([C@@H](CNc2cccc(OC)c2[N+](=O)[O-])N(C)C)cc1OC ZINC000189408179 1432100405 /nfs/dbraw/zinc/10/04/05/1432100405.db2.gz QMOADMSNQHKFAQ-OAHLLOKOSA-N 0 3 375.425 3.335 20 5 GGBDHN COc1ccc([C@H](CNc2cccc(OC)c2[N+](=O)[O-])N(C)C)cc1OC ZINC000189408153 1432100748 /nfs/dbraw/zinc/10/07/48/1432100748.db2.gz QMOADMSNQHKFAQ-HNNXBMFYSA-N 0 3 375.425 3.335 20 5 GGBDHN CC(C)OC(=O)C[C@@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000189582203 1432166518 /nfs/dbraw/zinc/16/65/18/1432166518.db2.gz SSRRUPULBWNJHT-AWEZNQCLSA-N 0 3 395.431 3.116 20 5 GGBDHN CCOC(=O)[C@@](C)(CN[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000189988764 1432300543 /nfs/dbraw/zinc/30/05/43/1432300543.db2.gz QPKMIHNZSJZPBU-VFNWGFHPSA-N 0 3 399.447 3.032 20 5 GGBDHN COC(=O)c1cnc(NC[C@H](c2cccs2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000190164541 1432331546 /nfs/dbraw/zinc/33/15/46/1432331546.db2.gz DFVOPFMIISSUHP-CQSZACIVSA-N 0 3 376.438 3.087 20 5 GGBDHN COC(=O)c1cnc(NC[C@H]2CCCN(Cc3cccs3)C2)c([N+](=O)[O-])c1 ZINC000190170880 1432332901 /nfs/dbraw/zinc/33/29/01/1432332901.db2.gz OYEIVHPXVWEJLU-CYBMUJFWSA-N 0 3 390.465 3.162 20 5 GGBDHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)Nc1cccc([N+](=O)[O-])c1 ZINC000190421141 1432378605 /nfs/dbraw/zinc/37/86/05/1432378605.db2.gz OYVQSLVAJZRCAL-LJQANCHMSA-N 0 3 384.436 3.007 20 5 GGBDHN COc1cc(C(=O)N(CCN(C)C)Cc2ccc(C)o2)cc([N+](=O)[O-])c1C ZINC000190478523 1432389163 /nfs/dbraw/zinc/38/91/63/1432389163.db2.gz NNDWUEDEXGYIHY-UHFFFAOYSA-N 0 3 375.425 3.017 20 5 GGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000190851315 1432507285 /nfs/dbraw/zinc/50/72/85/1432507285.db2.gz BKBRSUZNLBPUOH-LJQANCHMSA-N 0 3 398.463 3.316 20 5 GGBDHN CCCn1ccnc1CCCN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000191497776 1432672993 /nfs/dbraw/zinc/67/29/93/1432672993.db2.gz AUJLUQLFMXQEMF-UHFFFAOYSA-N 0 3 393.875 3.358 20 5 GGBDHN COc1cc(C(=O)N(Cc2ccco2)C2CCN(C)CC2)cc([N+](=O)[O-])c1C ZINC000191678258 1432704579 /nfs/dbraw/zinc/70/45/79/1432704579.db2.gz IPECSYHBAKACSD-UHFFFAOYSA-N 0 3 387.436 3.241 20 5 GGBDHN COc1cc(CNC[C@](C)(Cc2ccccc2)[C@@H](C)O)c([N+](=O)[O-])cc1OC ZINC000191714838 1432712136 /nfs/dbraw/zinc/71/21/36/1432712136.db2.gz IOLOKLGHOUACHD-VFNWGFHPSA-N 0 3 388.464 3.331 20 5 GGBDHN COc1cccc(CN(CCN(C)C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000191949102 1432763776 /nfs/dbraw/zinc/76/37/76/1432763776.db2.gz WTOGWFDKTPIFSI-UHFFFAOYSA-N 0 3 391.855 3.461 20 5 GGBDHN CCc1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000192220472 1432818577 /nfs/dbraw/zinc/81/85/77/1432818577.db2.gz JREFYSUCPGTQHV-HXUWFJFHSA-N 0 3 397.475 3.178 20 5 GGBDHN CN(Cc1ccc(OC(F)F)cc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193315154 1432977997 /nfs/dbraw/zinc/97/79/97/1432977997.db2.gz PVXNGPDESRZDJQ-AWEZNQCLSA-N 0 3 382.363 3.068 20 5 GGBDHN COc1ccc([C@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C2CC2)cc1 ZINC000193342887 1432982932 /nfs/dbraw/zinc/98/29/32/1432982932.db2.gz KOGYENUJPOCWHQ-OAQYLSRUSA-N 0 3 381.432 3.233 20 5 GGBDHN CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3nnc(CN)[nH]3)cc2)cc1[N+](=O)[O-] ZINC000193345548 1432983569 /nfs/dbraw/zinc/98/35/69/1432983569.db2.gz ZYZBDEPSCWWOGW-UHFFFAOYSA-N 0 3 394.435 3.388 20 5 GGBDHN CN(CCSCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000193615245 1433029378 /nfs/dbraw/zinc/02/93/78/1433029378.db2.gz KRCGGPVWSHIYGH-UHFFFAOYSA-N 0 3 385.489 3.349 20 5 GGBDHN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H](CN1CCCC1)c1ccccc1 ZINC000193829851 1433068357 /nfs/dbraw/zinc/06/83/57/1433068357.db2.gz RZXWXBCLOLSOHT-GOSISDBHSA-N 0 3 383.448 3.317 20 5 GGBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000193952629 1433091282 /nfs/dbraw/zinc/09/12/82/1433091282.db2.gz LLVNASYLXOAYRL-IBGZPJMESA-N 0 3 398.463 3.240 20 5 GGBDHN C[C@@H](NC(=O)NCC1(N2CCSCC2)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000194507999 1433189759 /nfs/dbraw/zinc/18/97/59/1433189759.db2.gz JOMFKZSCJOGFDD-OAHLLOKOSA-N 0 3 392.525 3.317 20 5 GGBDHN CCN(C(=O)c1cccc(OC)c1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000194869720 1433252783 /nfs/dbraw/zinc/25/27/83/1433252783.db2.gz WDIOQOFSUTXCDT-QGZVFWFLSA-N 0 3 383.448 3.340 20 5 GGBDHN CCN(C(=O)c1cccc(OC)c1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000194869734 1433252848 /nfs/dbraw/zinc/25/28/48/1433252848.db2.gz WDIOQOFSUTXCDT-KRWDZBQOSA-N 0 3 383.448 3.340 20 5 GGBDHN COc1cccc(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000194903501 1433261236 /nfs/dbraw/zinc/26/12/36/1433261236.db2.gz JTOINVIEXTTZHJ-GOSISDBHSA-N 0 3 385.464 3.490 20 5 GGBDHN COc1ccc([C@H](CNc2c3c(ccc2[N+](=O)[O-])NCC3)N(C)C)cc1OC ZINC000195174941 1433303082 /nfs/dbraw/zinc/30/30/82/1433303082.db2.gz OGWORCRPUSHOFO-KRWDZBQOSA-N 0 3 386.452 3.295 20 5 GGBDHN Cc1cc(C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000195694025 1433345093 /nfs/dbraw/zinc/34/50/93/1433345093.db2.gz MAGLVXBIOBSGDZ-OAQYLSRUSA-N 0 3 396.491 3.012 20 5 GGBDHN CCN(CC)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000198116040 1433347482 /nfs/dbraw/zinc/34/74/82/1433347482.db2.gz HQNZKDPNAQQFBS-FQEVSTJZSA-N 0 3 385.464 3.345 20 5 GGBDHN COc1ccc(-c2ccc(CNCCC(=O)N3CCCCC3)o2)c([N+](=O)[O-])c1 ZINC000237425448 1433402305 /nfs/dbraw/zinc/40/23/05/1433402305.db2.gz KUQWNVSGOCQJKR-UHFFFAOYSA-N 0 3 387.436 3.356 20 5 GGBDHN C[C@@H](CN1CCOCC1)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237507727 1433406954 /nfs/dbraw/zinc/40/69/54/1433406954.db2.gz RSBJNAIQZAFKNW-ZDUSSCGKSA-N 0 3 379.844 3.319 20 5 GGBDHN Cn1cc(CNCc2ccc(-n3cccn3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237778683 1433423162 /nfs/dbraw/zinc/42/31/62/1433423162.db2.gz PUYOGOHSENGURO-UHFFFAOYSA-N 0 3 388.431 3.471 20 5 GGBDHN O=C(CCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)NCc1cccnc1 ZINC000238046458 1433440669 /nfs/dbraw/zinc/44/06/69/1433440669.db2.gz AEFCCIKWQCNRGI-UHFFFAOYSA-N 0 3 380.404 3.046 20 5 GGBDHN CCCCCCNC(=O)[C@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246329731 1433595926 /nfs/dbraw/zinc/59/59/26/1433595926.db2.gz SQLOYXYPHSIMSC-PKOBYXMFSA-N 0 3 377.485 3.037 20 5 GGBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](Cc2nccn2C)C1 ZINC000247335447 1433709168 /nfs/dbraw/zinc/70/91/68/1433709168.db2.gz VXDBCCHGASECCK-GJZGRUSLSA-N 0 3 396.451 3.394 20 5 GGBDHN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)[C@H]3CCCN(C)C3)cc2[N+](=O)[O-])C1 ZINC000247356317 1433712811 /nfs/dbraw/zinc/71/28/11/1433712811.db2.gz JXVKBGOUONZAMG-NUJGCVRESA-N 0 3 388.512 3.243 20 5 GGBDHN Cc1nc2c(s1)[C@H](N(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC000247414022 1433719527 /nfs/dbraw/zinc/71/95/27/1433719527.db2.gz CSWQRZHCTSQXKN-RHSMWYFYSA-N 0 3 377.466 3.109 20 5 GGBDHN CCc1nc2c(s1)[C@@H](N(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC000248197651 1433779625 /nfs/dbraw/zinc/77/96/25/1433779625.db2.gz LYCHQLJDDNAEKZ-PBHICJAKSA-N 0 3 391.493 3.363 20 5 GGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN(Cc1cccs1)C[C@H]1CCCO1 ZINC000248373967 1433789146 /nfs/dbraw/zinc/78/91/46/1433789146.db2.gz MWHXDWKPTOTUMX-HZPDHXFCSA-N 0 3 392.477 3.077 20 5 GGBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000248917238 1433829505 /nfs/dbraw/zinc/82/95/05/1433829505.db2.gz WFLKUNMDTOCCLN-AUUYWEPGSA-N 0 3 387.867 3.427 20 5 GGBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000248916169 1433829544 /nfs/dbraw/zinc/82/95/44/1433829544.db2.gz WCCWTUDVLXQJJG-QFBILLFUSA-N 0 3 382.464 3.257 20 5 GGBDHN C[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@H](C)C1 ZINC000252107056 1433862653 /nfs/dbraw/zinc/86/26/53/1433862653.db2.gz HDOXYJVTSFWKGJ-ZWKOTPCHSA-N 0 3 391.515 3.391 20 5 GGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCNC[C@H]1c1ccccc1Cl ZINC000261773966 1433903067 /nfs/dbraw/zinc/90/30/67/1433903067.db2.gz PAOHWFGYZFUIBL-SFHVURJKSA-N 0 3 388.855 3.142 20 5 GGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCNC[C@H]1c1ccccc1Cl ZINC000262205242 1433930816 /nfs/dbraw/zinc/93/08/16/1433930816.db2.gz KYDJHDOVPAJTNE-SFHVURJKSA-N 0 3 388.855 3.142 20 5 GGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCNC[C@@H]1c1ccccc1Cl ZINC000262205241 1433930878 /nfs/dbraw/zinc/93/08/78/1433930878.db2.gz KYDJHDOVPAJTNE-GOSISDBHSA-N 0 3 388.855 3.142 20 5 GGBDHN Cc1csc(Sc2ccc(C(=O)N3CCN[C@H](C)[C@@H]3C)cc2[N+](=O)[O-])n1 ZINC000262691789 1433950287 /nfs/dbraw/zinc/95/02/87/1433950287.db2.gz AAANGWBCYJQCSV-NEPJUHHUSA-N 0 3 392.506 3.333 20 5 GGBDHN C[C@@H]1CN(CC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)C[C@H](C)O1 ZINC000263774645 1434032171 /nfs/dbraw/zinc/03/21/71/1434032171.db2.gz MRHLLCQPMKCKDZ-OKILXGFUSA-N 0 3 395.887 3.210 20 5 GGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(C(=O)OC(C)(C)C)CC1 ZINC000263883529 1434045455 /nfs/dbraw/zinc/04/54/55/1434045455.db2.gz NOAVHGYRUVBLSD-UHFFFAOYSA-N 0 3 391.468 3.286 20 5 GGBDHN COc1cc([N+](=O)[O-])c(C(=O)NCCN(C)Cc2ccccc2)cc1SC ZINC000264136826 1434074887 /nfs/dbraw/zinc/07/48/87/1434074887.db2.gz LIYKANCPRCYCKK-UHFFFAOYSA-N 0 3 389.477 3.187 20 5 GGBDHN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@H](N2CCCCC2)C1 ZINC000264586645 1434131281 /nfs/dbraw/zinc/13/12/81/1434131281.db2.gz KSDAROOKVUEQBV-SFHVURJKSA-N 0 3 389.499 3.242 20 5 GGBDHN C[C@@H]1CCCCN1C[C@H]1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000265078834 1434182520 /nfs/dbraw/zinc/18/25/20/1434182520.db2.gz QYLKTAVEOJJBIK-HZPDHXFCSA-N 0 3 395.525 3.089 20 5 GGBDHN C[C@H]1CCCCN1C[C@@H]1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000265078831 1434182611 /nfs/dbraw/zinc/18/26/11/1434182611.db2.gz QYLKTAVEOJJBIK-HOTGVXAUSA-N 0 3 395.525 3.089 20 5 GGBDHN CN(C)C(=O)[C@H]1CCC[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000265180320 1434195120 /nfs/dbraw/zinc/19/51/20/1434195120.db2.gz MYZTVRRFPACBMS-LSDHHAIUSA-N 0 3 388.493 3.455 20 5 GGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000265619859 1434250928 /nfs/dbraw/zinc/25/09/28/1434250928.db2.gz AULNQDIGDMHBSC-QGZVFWFLSA-N 0 3 394.431 3.000 20 5 GGBDHN O=C(NC1CCN(CCOc2ccc(F)cc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000265732079 1434261052 /nfs/dbraw/zinc/26/10/52/1434261052.db2.gz BYJHUIDTCIOCDQ-UHFFFAOYSA-N 0 3 387.411 3.007 20 5 GGBDHN CS(=O)(=O)c1ccc(NC2CCN(C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000267012301 1434398966 /nfs/dbraw/zinc/39/89/66/1434398966.db2.gz IDORKUKAXVANJT-UHFFFAOYSA-N 0 3 381.498 3.207 20 5 GGBDHN CC[C@@H](N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000268939460 1434573251 /nfs/dbraw/zinc/57/32/51/1434573251.db2.gz ZSUSFSJVRBNXDI-QUCCMNQESA-N 0 3 380.448 3.474 20 5 GGBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)c1 ZINC000269623120 1434664437 /nfs/dbraw/zinc/66/44/37/1434664437.db2.gz BNUGFFXCWVCKOK-LJQANCHMSA-N 0 3 393.447 3.293 20 5 GGBDHN CCOc1ccc([C@H](C)NCc2ccccc2Cn2cncn2)cc1[N+](=O)[O-] ZINC000271111755 1434802587 /nfs/dbraw/zinc/80/25/87/1434802587.db2.gz HLLSHIAYLFQRNN-HNNXBMFYSA-N 0 3 381.436 3.484 20 5 GGBDHN COc1cccc(C2(NCCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)CC2)c1 ZINC000271718192 1434846041 /nfs/dbraw/zinc/84/60/41/1434846041.db2.gz PFNFPFXGIKFSMV-UHFFFAOYSA-N 0 3 385.420 3.220 20 5 GGBDHN COc1cc(CNCCc2c(C)noc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272353580 1434889814 /nfs/dbraw/zinc/88/98/14/1434889814.db2.gz DKQFAVBWXJRYPT-UHFFFAOYSA-N 0 3 385.367 3.184 20 5 GGBDHN C[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@H]1CCCN(C2CCC2)C1 ZINC000272732674 1434926725 /nfs/dbraw/zinc/92/67/25/1434926725.db2.gz BXOGCAHBQWVBLU-KBPBESRZSA-N 0 3 381.498 3.063 20 5 GGBDHN COc1ccc(NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)cc1[N+](=O)[O-] ZINC000272900406 1434939834 /nfs/dbraw/zinc/93/98/34/1434939834.db2.gz KGQITJTZKVQVKS-UHFFFAOYSA-N 0 3 399.447 3.060 20 5 GGBDHN COc1cc(C[NH2+][C@H]2CCO[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000273510443 1434993674 /nfs/dbraw/zinc/99/36/74/1434993674.db2.gz QRHIMWYHOQMTJK-YJBOKZPZSA-N 0 3 376.384 3.458 20 5 GGBDHN C[C@@H]1CN(CCCCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000273856578 1435022103 /nfs/dbraw/zinc/02/21/03/1435022103.db2.gz MVPRWAIHGVVYQR-GASCZTMLSA-N 0 3 395.475 3.017 20 5 GGBDHN Cc1ccc([N+](=O)[O-])cc1-c1nc(-c2ccc(N3CCCN(C)CC3)nc2)no1 ZINC000273893689 1435026108 /nfs/dbraw/zinc/02/61/08/1435026108.db2.gz PJJVQOJDUWLWSH-UHFFFAOYSA-N 0 3 394.435 3.157 20 5 GGBDHN COc1cc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cc([N+](=O)[O-])c1OC ZINC000274592618 1435079942 /nfs/dbraw/zinc/07/99/42/1435079942.db2.gz FQNIMDCOLSCGLV-UGSOOPFHSA-N 0 3 387.436 3.033 20 5 GGBDHN C[C@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)[C@@H]1CCCN(C2CCC2)C1 ZINC000276326824 1435204888 /nfs/dbraw/zinc/20/48/88/1435204888.db2.gz QQOJLIYNQCKZPW-UONOGXRCSA-N 0 3 381.498 3.063 20 5 GGBDHN COc1ccc(OCCN[C@H](Cc2nc(C)no2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000277359985 1435298022 /nfs/dbraw/zinc/29/80/22/1435298022.db2.gz XBQLVDYKMIYVJJ-QGZVFWFLSA-N 0 3 398.419 3.247 20 5 GGBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@@H]([C@@H](O)C(F)(F)F)C3)o2)c1 ZINC000277624812 1435317262 /nfs/dbraw/zinc/31/72/62/1435317262.db2.gz ASCRXTCETRCOAP-CXAGYDPISA-N 0 3 399.369 3.428 20 5 GGBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000277654487 1435319430 /nfs/dbraw/zinc/31/94/30/1435319430.db2.gz VOTDGEWRYNUYRE-UHFFFAOYSA-N 0 3 383.448 3.340 20 5 GGBDHN CC(C)(C)OC(=O)NC1CCC(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278734071 1435418516 /nfs/dbraw/zinc/41/85/16/1435418516.db2.gz QSROHHOUIKKLFH-UHFFFAOYSA-N 0 3 389.456 3.397 20 5 GGBDHN CS(=O)(=O)Nc1ccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000278758014 1435420512 /nfs/dbraw/zinc/42/05/12/1435420512.db2.gz OHGBWKWZISUWRG-SFHVURJKSA-N 0 3 375.450 3.134 20 5 GGBDHN CN1CCN(c2ncccc2CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000278975178 1435447653 /nfs/dbraw/zinc/44/76/53/1435447653.db2.gz CMXFZGTXXHJBHC-FQEVSTJZSA-N 0 3 395.507 3.254 20 5 GGBDHN COc1cc(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)ccc1OCCO ZINC000279033291 1435454210 /nfs/dbraw/zinc/45/42/10/1435454210.db2.gz ISNQKDUZSRLCAU-SFHVURJKSA-N 0 3 386.448 3.487 20 5 GGBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000279704401 1435532373 /nfs/dbraw/zinc/53/23/73/1435532373.db2.gz KCCOAFFZKTWDKK-UHFFFAOYSA-N 0 3 383.448 3.388 20 5 GGBDHN O=[N+]([O-])c1cc(CN2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)c2c(c1)COCO2 ZINC000280716067 1435708549 /nfs/dbraw/zinc/70/85/49/1435708549.db2.gz BTZITNDWSLXJLP-IPMKNSEASA-N 0 3 376.453 3.367 20 5 GGBDHN C[C@H](NCc1cccc(CN2CCO[C@H](C)C2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284217934 1436004791 /nfs/dbraw/zinc/00/47/91/1436004791.db2.gz TVUPSJSYWALLDN-CVEARBPZSA-N 0 3 384.480 3.249 20 5 GGBDHN Cc1ccc([C@@H](C)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000284812550 1436052317 /nfs/dbraw/zinc/05/23/17/1436052317.db2.gz LMIGDJMUDUJCSG-SOIKWTOOSA-N 0 3 397.479 3.182 20 5 GGBDHN CC(C)CN1CCN(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)CC1 ZINC001164657382 719339394 /nfs/dbraw/zinc/33/93/94/719339394.db2.gz JPBCSWXDGCTFDK-UHFFFAOYSA-N 0 3 375.860 3.483 20 5 GGBDHN O=[N+]([O-])c1ccc2ccnc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c2c1 ZINC001164725697 720424706 /nfs/dbraw/zinc/42/47/06/720424706.db2.gz AQHYXTOWNKXUAS-VQTJNVASSA-N 0 3 375.432 3.391 20 5 GGBDHN O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)c1 ZINC001164724374 720478674 /nfs/dbraw/zinc/47/86/74/720478674.db2.gz FRWFWXZZBKQENO-PMACEKPBSA-N 0 3 375.432 3.391 20 5 GGBDHN O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)c1 ZINC001164724377 720479069 /nfs/dbraw/zinc/47/90/69/720479069.db2.gz FRWFWXZZBKQENO-WOJBJXKFSA-N 0 3 375.432 3.391 20 5 GGBDHN O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)c1 ZINC001164724375 720479328 /nfs/dbraw/zinc/47/93/28/720479328.db2.gz FRWFWXZZBKQENO-UXHICEINSA-N 0 3 375.432 3.391 20 5 GGBDHN Cn1cc(CN2CC[C@@H]3CN(c4ccc5ccc6cccnc6c5n4)C[C@H]3C2)cn1 ZINC001164770379 721096495 /nfs/dbraw/zinc/09/64/95/721096495.db2.gz PVQNVGDMNHSFSR-NHCUHLMSSA-N 0 3 398.514 3.475 20 5 GGBDHN Cn1cc(CN2CC[C@H]3CN(c4ccc5ccc6cccnc6c5n4)C[C@@H]3C2)cn1 ZINC001164770387 721096797 /nfs/dbraw/zinc/09/67/97/721096797.db2.gz PVQNVGDMNHSFSR-SFTDATJTSA-N 0 3 398.514 3.475 20 5 GGBDHN Cc1c(Br)cc(C(=O)N2CCC[C@@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000119059899 564253067 /nfs/dbraw/zinc/25/30/67/564253067.db2.gz JNTBGCBPNCYNNP-CQSZACIVSA-N 0 3 396.285 3.366 20 5 GGBDHN Cc1c(Br)cc(C(=O)N2CCCC[C@@H]2CN(C)C)cc1[N+](=O)[O-] ZINC000119978460 564298003 /nfs/dbraw/zinc/29/80/03/564298003.db2.gz ZAJXSMHRDUPAFB-CYBMUJFWSA-N 0 3 384.274 3.222 20 5 GGBDHN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H](N2CCCC2)C1 ZINC000121679570 564381348 /nfs/dbraw/zinc/38/13/48/564381348.db2.gz FTKOBJQLSWPBAD-CYBMUJFWSA-N 0 3 382.258 3.058 20 5 GGBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](CO)c1cccc(Br)c1 ZINC000125798802 564526658 /nfs/dbraw/zinc/52/66/58/564526658.db2.gz LUVWBCZIHCVEQA-IRXDYDNUSA-N 0 3 395.253 3.056 20 5 GGBDHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](CO)c1cccc(Br)c1 ZINC000125799036 564527062 /nfs/dbraw/zinc/52/70/62/564527062.db2.gz LUVWBCZIHCVEQA-DLBZAZTESA-N 0 3 395.253 3.056 20 5 GGBDHN Cc1c(Br)cc(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000127119485 564574146 /nfs/dbraw/zinc/57/41/46/564574146.db2.gz GXESDTFPXPPGHJ-JOYOIKCWSA-N 0 3 382.258 3.021 20 5 GGBDHN Cc1c(Br)cc(C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000127914673 564600973 /nfs/dbraw/zinc/60/09/73/564600973.db2.gz PZSBCGUWKPUQTB-IUODEOHRSA-N 0 3 396.285 3.222 20 5 GGBDHN CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000130606503 564687020 /nfs/dbraw/zinc/68/70/20/564687020.db2.gz CVZOBISSCHODQN-MRXNPFEDSA-N 0 3 392.253 3.390 20 5 GGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@H](CO)C3)o2)c(Br)c1 ZINC000092764000 564881225 /nfs/dbraw/zinc/88/12/25/564881225.db2.gz KCDRFPFKZHUFRL-NSHDSACASA-N 0 3 381.226 3.432 20 5 GGBDHN CC[C@@H]1CCCCN1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000154763243 565051658 /nfs/dbraw/zinc/05/16/58/565051658.db2.gz XLCCIOLXRPKXSK-CQSZACIVSA-N 0 3 398.301 3.281 20 5 GGBDHN CN(Cc1ccccc1)C[C@@H](O)COc1ccc([N+](=O)[O-])cc1Br ZINC000155052166 565060602 /nfs/dbraw/zinc/06/06/02/565060602.db2.gz CQACVJJITLNTPR-OAHLLOKOSA-N 0 3 395.253 3.229 20 5 GGBDHN C[C@H]1CN(CCCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCCO1 ZINC000293024590 565147104 /nfs/dbraw/zinc/14/71/04/565147104.db2.gz UZTPVLWQQINVFZ-NSHDSACASA-N 0 3 390.267 3.132 20 5 GGBDHN C[C@H](NC[C@H]1CCS(=O)(=O)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000268723859 565165548 /nfs/dbraw/zinc/16/55/48/565165548.db2.gz AEHVCDBJXNRQJN-QWHCGFSZSA-N 0 3 380.491 3.409 20 5 GGBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H](C)C1 ZINC000159872964 565221681 /nfs/dbraw/zinc/22/16/81/565221681.db2.gz JPMGXJBQGHBSJU-RYUDHWBXSA-N 0 3 384.274 3.208 20 5 GGBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000273224278 565313089 /nfs/dbraw/zinc/31/30/89/565313089.db2.gz DSBIUDMUGPEPKL-NSHDSACASA-N 0 3 384.274 3.160 20 5 GGBDHN CN(C)CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CCCC1 ZINC000162389121 565316530 /nfs/dbraw/zinc/31/65/30/565316530.db2.gz LECMNKUWDAWLFR-UHFFFAOYSA-N 0 3 384.274 3.304 20 5 GGBDHN C[C@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[C@@H]1N1CCN(C)CC1 ZINC000375380511 565384066 /nfs/dbraw/zinc/38/40/66/565384066.db2.gz PTLPBIGLHSMIEA-LRDDRELGSA-N 0 3 387.311 3.364 20 5 GGBDHN COc1cccc([C@@H](CNc2ncc(Br)cc2[N+](=O)[O-])N(C)C)c1 ZINC000301090379 565463614 /nfs/dbraw/zinc/46/36/14/565463614.db2.gz NIPOOYJIEZDMES-OAHLLOKOSA-N 0 3 395.257 3.476 20 5 GGBDHN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]1CN1CCCC1 ZINC000172531671 565490544 /nfs/dbraw/zinc/49/05/44/565490544.db2.gz VPIXLMNLCVZMBK-ZDUSSCGKSA-N 0 3 382.258 3.058 20 5 GGBDHN O=C(NC[C@H]1CCCCN1C1CC1)c1cccc([N+](=O)[O-])c1Br ZINC000277381143 565493687 /nfs/dbraw/zinc/49/36/87/565493687.db2.gz BEAMEFBJFVCEPB-GFCCVEGCSA-N 0 3 382.258 3.104 20 5 GGBDHN C[C@H]1CN(CCCCNc2ncc([N+](=O)[O-])cc2Br)C[C@H](C)O1 ZINC000301659636 565502196 /nfs/dbraw/zinc/50/21/96/565502196.db2.gz TWCCLMITUKVXIG-RYUDHWBXSA-N 0 3 387.278 3.054 20 5 GGBDHN C[C@H]1CN(CCCCNc2ncc(Br)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000301661706 565502336 /nfs/dbraw/zinc/50/23/36/565502336.db2.gz KCTKTEIBGVNAAZ-RYUDHWBXSA-N 0 3 387.278 3.054 20 5 GGBDHN O=[N+]([O-])c1cc(Br)cnc1N1CCCN(Cc2ccccc2)CC1 ZINC000301680041 565504640 /nfs/dbraw/zinc/50/46/40/565504640.db2.gz JGQKZWOVBDQBCL-UHFFFAOYSA-N 0 3 391.269 3.465 20 5 GGBDHN CCN1CCN(C[C@H](C)CNc2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000302609274 565547838 /nfs/dbraw/zinc/54/78/38/565547838.db2.gz BGXPYMBALFFIEZ-CYBMUJFWSA-N 0 3 385.306 3.043 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000408004904 565590606 /nfs/dbraw/zinc/59/06/06/565590606.db2.gz ZWKTVSCGKSZQGI-WBMJQRKESA-N 0 3 396.285 3.222 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000408004902 565590911 /nfs/dbraw/zinc/59/09/11/565590911.db2.gz ZWKTVSCGKSZQGI-MLGOLLRUSA-N 0 3 396.285 3.222 20 5 GGBDHN O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC[C@H](N2CCCC2)C1 ZINC000322099245 565607759 /nfs/dbraw/zinc/60/77/59/565607759.db2.gz DFEQJDDASOJDKY-LBPRGKRZSA-N 0 3 382.258 3.058 20 5 GGBDHN [NH3+]CCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000327769551 565633005 /nfs/dbraw/zinc/63/30/05/565633005.db2.gz SDHJZQYFPKTEKD-HNNXBMFYSA-N 0 3 383.857 3.007 20 5 GGBDHN Cc1c(NC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc(Br)cc1[N+](=O)[O-] ZINC000280740082 565692663 /nfs/dbraw/zinc/69/26/63/565692663.db2.gz LKPGMXVWVJFXMO-ABAIWWIYSA-N 0 3 397.273 3.224 20 5 GGBDHN Cc1c(NC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc(Br)cc1[N+](=O)[O-] ZINC000280740087 565692959 /nfs/dbraw/zinc/69/29/59/565692959.db2.gz LKPGMXVWVJFXMO-NHYWBVRUSA-N 0 3 397.273 3.224 20 5 GGBDHN O=C(OCc1ccc([N+](=O)[O-])cc1Br)C1CCN(C2CC2)CC1 ZINC000192587792 565700702 /nfs/dbraw/zinc/70/07/02/565700702.db2.gz OZJPMSRIBNJYIW-UHFFFAOYSA-N 0 3 383.242 3.275 20 5 GGBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000331517945 565764412 /nfs/dbraw/zinc/76/44/12/565764412.db2.gz DQHJRWCNHFODCI-OCCSQVGLSA-N 0 3 383.901 3.426 20 5 GGBDHN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCCN(CC2CCC2)CC1 ZINC000412304926 565780208 /nfs/dbraw/zinc/78/02/08/565780208.db2.gz BNAKHNLVQRFPKJ-UHFFFAOYSA-N 0 3 396.285 3.305 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CCCC2)[C@@H]1C ZINC000332089922 565804887 /nfs/dbraw/zinc/80/48/87/565804887.db2.gz UWSYIOSTPHOLMF-LRDDRELGSA-N 0 3 396.285 3.365 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CCCC2)[C@@H]1C ZINC000332089921 565805393 /nfs/dbraw/zinc/80/53/93/565805393.db2.gz UWSYIOSTPHOLMF-BLLLJJGKSA-N 0 3 396.285 3.365 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000332209765 565815851 /nfs/dbraw/zinc/81/58/51/565815851.db2.gz RYAWIEFBFOOUOP-BXUZGUMPSA-N 0 3 396.285 3.365 20 5 GGBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177024532 565824200 /nfs/dbraw/zinc/82/42/00/565824200.db2.gz ALDYSCUOIGBHKX-NWDGAFQWSA-N 0 3 384.274 3.208 20 5 GGBDHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000332595747 565846377 /nfs/dbraw/zinc/84/63/77/565846377.db2.gz GQMLTZGJCUSYAB-CHWSQXEVSA-N 0 3 382.258 3.056 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000284226905 565847064 /nfs/dbraw/zinc/84/70/64/565847064.db2.gz DQWIDEFKGLEWFB-BONVTDFDSA-N 0 3 384.274 3.078 20 5 GGBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000236630478 565940930 /nfs/dbraw/zinc/94/09/30/565940930.db2.gz ATZUMZFDVLRZRI-UHFFFAOYSA-N 0 3 398.282 3.329 20 5 GGBDHN CC[C@@H](NCc1cc(I)cc([N+](=O)[O-])c1)[C@H](O)C(C)C ZINC000414525415 565945704 /nfs/dbraw/zinc/94/57/04/565945704.db2.gz JQBHAQIWMZAEKB-ZIAGYGMSSA-N 0 3 392.237 3.085 20 5 GGBDHN O=[N+]([O-])c1cc(I)cc(CN[C@@H]2C[C@H]2c2ccco2)c1 ZINC000414581161 565951476 /nfs/dbraw/zinc/95/14/76/565951476.db2.gz KKECXHLTEDYBQO-CHWSQXEVSA-N 0 3 384.173 3.438 20 5 GGBDHN CNC(=O)CCN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000179410623 565979964 /nfs/dbraw/zinc/97/99/64/565979964.db2.gz XCWLSYGWBJAUSO-UHFFFAOYSA-N 0 3 396.241 3.185 20 5 GGBDHN CC(C)CCN1CCC(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000179604374 565992871 /nfs/dbraw/zinc/99/28/71/565992871.db2.gz XYWVKOBBDDJQIL-UHFFFAOYSA-N 0 3 389.543 3.230 20 5 GGBDHN Cc1c(Br)cc(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000245501510 565993059 /nfs/dbraw/zinc/99/30/59/565993059.db2.gz AUYCAPKSURGLPF-YGRLFVJLSA-N 0 3 384.274 3.078 20 5 GGBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000287336753 566012689 /nfs/dbraw/zinc/01/26/89/566012689.db2.gz VSFBBVDXSBZEIX-IAQYHMDHSA-N 0 3 382.258 3.056 20 5 GGBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000287336756 566012752 /nfs/dbraw/zinc/01/27/52/566012752.db2.gz VSFBBVDXSBZEIX-NHYWBVRUSA-N 0 3 382.258 3.056 20 5 GGBDHN C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H](C)C1 ZINC000246077530 566016058 /nfs/dbraw/zinc/01/60/58/566016058.db2.gz JYJWSZBUSNDNOU-QWHCGFSZSA-N 0 3 398.301 3.136 20 5 GGBDHN C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H](C)C1 ZINC000246077522 566016513 /nfs/dbraw/zinc/01/65/13/566016513.db2.gz JYJWSZBUSNDNOU-CHWSQXEVSA-N 0 3 398.301 3.136 20 5 GGBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000287415935 566016691 /nfs/dbraw/zinc/01/66/91/566016691.db2.gz ZTFOCUQBAUOWRK-NHYWBVRUSA-N 0 3 382.258 3.056 20 5 GGBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000246156470 566018711 /nfs/dbraw/zinc/01/87/11/566018711.db2.gz IFMKNVXAWQGACI-OLZOCXBDSA-N 0 3 398.301 3.136 20 5 GGBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000246265529 566024641 /nfs/dbraw/zinc/02/46/41/566024641.db2.gz ZNKHJPXCOYJHNS-RYUDHWBXSA-N 0 3 384.274 3.208 20 5 GGBDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000247069358 566051471 /nfs/dbraw/zinc/05/14/71/566051471.db2.gz PREDRLWEQMGKDG-UPJWGTAASA-N 0 3 398.301 3.454 20 5 GGBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000288146542 566058429 /nfs/dbraw/zinc/05/84/29/566058429.db2.gz KVKLTIDRWSTANA-WCQYABFASA-N 0 3 382.258 3.056 20 5 GGBDHN C[C@H](NC[C@@H](O)COc1ccccc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000181363104 566135824 /nfs/dbraw/zinc/13/58/24/566135824.db2.gz WGZORZXTTQWLQL-SWLSCSKDSA-N 0 3 395.253 3.448 20 5 GGBDHN C[C@@H](NC[C@@H](O)COc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000181361122 566135957 /nfs/dbraw/zinc/13/59/57/566135957.db2.gz SGUNENLMDAABAH-IUODEOHRSA-N 0 3 395.253 3.448 20 5 GGBDHN C[C@@H](NC[C@H](O)COc1ccccc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000181363084 566136481 /nfs/dbraw/zinc/13/64/81/566136481.db2.gz WGZORZXTTQWLQL-DOMZBBRYSA-N 0 3 395.253 3.448 20 5 GGBDHN CCN1CCN([C@@H]2CCN(Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)CC1 ZINC000289750848 566138942 /nfs/dbraw/zinc/13/89/42/566138942.db2.gz IVQNECZHLPDJLR-OAHLLOKOSA-N 0 3 387.311 3.113 20 5 GGBDHN C[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000182175932 566187969 /nfs/dbraw/zinc/18/79/69/566187969.db2.gz ILONNGMKUFBYSX-IUODEOHRSA-N 0 3 395.253 3.448 20 5 GGBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC1CCN(c2cccnn2)CC1 ZINC000291693543 566230676 /nfs/dbraw/zinc/23/06/76/566230676.db2.gz YHLXHAVMUGAXFZ-UHFFFAOYSA-N 0 3 382.251 3.450 20 5 GGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@H]4[C@H](CO)[C@H]4C3)o2)c(Br)c1 ZINC000368348316 566236276 /nfs/dbraw/zinc/23/62/76/566236276.db2.gz MORNLWGAQATCAK-FICVDOATSA-N 0 3 393.237 3.287 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCCC12CCN(C)CC2 ZINC000368501628 566240718 /nfs/dbraw/zinc/24/07/18/566240718.db2.gz CAWCDNWTZGPOEU-UHFFFAOYSA-N 0 3 396.285 3.366 20 5 GGBDHN O=[N+]([O-])c1cnn(CCN[C@H](c2cc(F)cc(Br)c2)C2CC2)c1 ZINC000481749682 566250944 /nfs/dbraw/zinc/25/09/44/566250944.db2.gz XBGWZVDONDVWON-HNNXBMFYSA-N 0 3 383.221 3.434 20 5 GGBDHN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@@H](N2CCCCC2)C1 ZINC000599391164 566261545 /nfs/dbraw/zinc/26/15/45/566261545.db2.gz NTCZUQZEQLCQLL-GFCCVEGCSA-N 0 3 382.258 3.058 20 5 GGBDHN CC[C@@H]1CCCCN1CCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599493000 566268932 /nfs/dbraw/zinc/26/89/32/566268932.db2.gz HXUWCJLMQWSLDP-GFCCVEGCSA-N 0 3 384.274 3.352 20 5 GGBDHN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCCN(C2CCCC2)CC1 ZINC000599543426 566274355 /nfs/dbraw/zinc/27/43/55/566274355.db2.gz AKIWNBSPHYKMNH-UHFFFAOYSA-N 0 3 396.285 3.448 20 5 GGBDHN O=c1ccc([C@@H]2OCC[C@H]2NCc2ccc(Br)cc2[N+](=O)[O-])c[nH]1 ZINC000599631731 566280995 /nfs/dbraw/zinc/28/09/95/566280995.db2.gz YJQUXHXARJEBMT-CJNGLKHVSA-N 0 3 394.225 3.078 20 5 GGBDHN O=[N+]([O-])c1cc(Br)ccc1CN[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000575918167 566298802 /nfs/dbraw/zinc/29/88/02/566298802.db2.gz NVDCPAPIXRJZJS-HZPDHXFCSA-N 0 3 398.301 3.090 20 5 GGBDHN CN(C)C1(CN(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000445700463 566305717 /nfs/dbraw/zinc/30/57/17/566305717.db2.gz VKLOGEKNKLQISD-UHFFFAOYSA-N 0 3 396.296 3.006 20 5 GGBDHN O=[N+]([O-])c1cccc(CNCCOc2ccc(I)cc2)c1 ZINC000509441453 566305648 /nfs/dbraw/zinc/30/56/48/566305648.db2.gz XRAUFFYPIPPITD-UHFFFAOYSA-N 0 3 398.200 3.368 20 5 GGBDHN O=C(NC1CCN(C2CCC2)CC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000600000529 566309178 /nfs/dbraw/zinc/30/91/78/566309178.db2.gz DSZBWQNEABVUBM-UHFFFAOYSA-N 0 3 382.258 3.104 20 5 GGBDHN C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)N1CCCC[C@H]1C ZINC000445823054 566312802 /nfs/dbraw/zinc/31/28/02/566312802.db2.gz ZYOJQNAQCNBYKK-OLZOCXBDSA-N 0 3 398.301 3.279 20 5 GGBDHN C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)N1CCCC[C@@H]1C ZINC000445823056 566314453 /nfs/dbraw/zinc/31/44/53/566314453.db2.gz ZYOJQNAQCNBYKK-STQMWFEESA-N 0 3 398.301 3.279 20 5 GGBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCC1(S(C)(=O)=O)CCCC1 ZINC000576164252 566321895 /nfs/dbraw/zinc/32/18/95/566321895.db2.gz QMBCLXWYZLTCJP-AWEZNQCLSA-N 0 3 386.539 3.413 20 5 GGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3C[C@@H](CO)C3)o2)c(Br)c1 ZINC000601139580 566392086 /nfs/dbraw/zinc/39/20/86/566392086.db2.gz GFWSDNSIFISUAG-PHIMTYICSA-N 0 3 381.226 3.478 20 5 GGBDHN CN(Cc1cc(I)cc([N+](=O)[O-])c1)C[C@@H]1CCCOC1 ZINC000558457612 566475113 /nfs/dbraw/zinc/47/51/13/566475113.db2.gz YRVQGHXTVLJBOH-NSHDSACASA-N 0 3 390.221 3.058 20 5 GGBDHN Cc1ncc2c(n1)CC[C@@H](NCc1cc(Br)c([N+](=O)[O-])s1)C2 ZINC000602508086 566475806 /nfs/dbraw/zinc/47/58/06/566475806.db2.gz LIERXCKTIRSGNN-SNVBAGLBSA-N 0 3 383.271 3.164 20 5 GGBDHN CN(C)C(=O)C1(CNCc2cc(Br)c([N+](=O)[O-])s2)CCCC1 ZINC000602543835 566478494 /nfs/dbraw/zinc/47/84/94/566478494.db2.gz AQDDNLLWBYPIOO-UHFFFAOYSA-N 0 3 390.303 3.157 20 5 GGBDHN CN(C)CCOc1ccccc1CNc1ncc([N+](=O)[O-])cc1Br ZINC000485211521 566483920 /nfs/dbraw/zinc/48/39/20/566483920.db2.gz SPQBKEHJKBAKOP-UHFFFAOYSA-N 0 3 395.257 3.305 20 5 GGBDHN O=[N+]([O-])c1sc(CNC[C@H](CO)c2ccc(F)cc2)cc1Br ZINC000602689418 566487423 /nfs/dbraw/zinc/48/74/23/566487423.db2.gz HJXFJVKOHNWTEI-SNVBAGLBSA-N 0 3 389.246 3.424 20 5 GGBDHN C[S@](=O)[C@@H]1CCC[C@@H](NCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602705291 566489343 /nfs/dbraw/zinc/48/93/43/566489343.db2.gz FQXTUDKCOZDWKB-HJWVJXLVSA-N 0 3 381.317 3.198 20 5 GGBDHN COC[C@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)OC ZINC000512392295 566530512 /nfs/dbraw/zinc/53/05/12/566530512.db2.gz UCEBMUMIBSDJPC-ZDUSSCGKSA-N 0 3 399.241 3.368 20 5 GGBDHN COC[C@@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)OC ZINC000512392294 566530877 /nfs/dbraw/zinc/53/08/77/566530877.db2.gz 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ZINC000449628375 566585576 /nfs/dbraw/zinc/58/55/76/566585576.db2.gz IKMWLCDIXACJHZ-OTYXRUKQSA-N 0 3 390.221 3.103 20 5 GGBDHN O=[N+]([O-])c1ccc(CNC[C@@H](CO)Cc2ccc(F)c(Br)c2)cc1 ZINC000449677822 566588983 /nfs/dbraw/zinc/58/89/83/566588983.db2.gz CTQGRPGTMJOKEL-AWEZNQCLSA-N 0 3 397.244 3.437 20 5 GGBDHN NC(=O)C[C@H](NCc1ccc(Br)cc1[N+](=O)[O-])C1CCCCC1 ZINC000425436128 566643790 /nfs/dbraw/zinc/64/37/90/566643790.db2.gz VLCMQMSUZKGXCQ-AWEZNQCLSA-N 0 3 384.274 3.271 20 5 GGBDHN O=[N+]([O-])c1ccccc1OCCN[C@H](CO)c1ccc(Br)cc1 ZINC000541052948 566690996 /nfs/dbraw/zinc/69/09/96/566690996.db2.gz CSEZMOPQRZWPAW-CQSZACIVSA-N 0 3 381.226 3.059 20 5 GGBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000468471221 566704577 /nfs/dbraw/zinc/70/45/77/566704577.db2.gz UDZOSBPBXLWNGI-OAHLLOKOSA-N 0 3 398.301 3.136 20 5 GGBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000468473492 566704602 /nfs/dbraw/zinc/70/46/02/566704602.db2.gz XMNULFLAQDIAEJ-AWEZNQCLSA-N 0 3 384.274 3.208 20 5 GGBDHN CCC(CC)[C@H](O)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000562080772 566763557 /nfs/dbraw/zinc/76/35/57/566763557.db2.gz ZZSSGPGIKMDCAH-CQSZACIVSA-N 0 3 392.237 3.086 20 5 GGBDHN CCC(CC)[C@@H](O)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000562080771 566764683 /nfs/dbraw/zinc/76/46/83/566764683.db2.gz ZZSSGPGIKMDCAH-AWEZNQCLSA-N 0 3 392.237 3.086 20 5 GGBDHN O=[N+]([O-])c1cccc(OCCN[C@H](CO)c2ccc(Br)cc2)c1 ZINC000541983730 566765518 /nfs/dbraw/zinc/76/55/18/566765518.db2.gz RRBDCMXRHNKDQD-MRXNPFEDSA-N 0 3 381.226 3.059 20 5 GGBDHN O=[N+]([O-])c1cccc(CNC[C@H](O)COc2cc(F)cc(Br)c2)c1 ZINC000516761663 566781241 /nfs/dbraw/zinc/78/12/41/566781241.db2.gz KVCYLKQNSMRYHE-HNNXBMFYSA-N 0 3 399.216 3.026 20 5 GGBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)COc2cc(F)cc(Br)c2)c1 ZINC000516761665 566782314 /nfs/dbraw/zinc/78/23/14/566782314.db2.gz KVCYLKQNSMRYHE-OAHLLOKOSA-N 0 3 399.216 3.026 20 5 GGBDHN O=C(NCC1(N2CCSCC2)CCCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609855094 566789837 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O=C(NC[C@H]1CCCCN1C1CC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000470172516 566855306 /nfs/dbraw/zinc/85/53/06/566855306.db2.gz XYGOOZVDXJHSLJ-CQSZACIVSA-N 0 3 382.258 3.104 20 5 GGBDHN O=[N+]([O-])c1ccc(CNC[C@H](CO)Cc2cccc(Br)c2)c(F)c1 ZINC000428552985 566857821 /nfs/dbraw/zinc/85/78/21/566857821.db2.gz WQKFVWOOZBXGNN-CYBMUJFWSA-N 0 3 397.244 3.437 20 5 GGBDHN CN(C)CCN(Cc1ccc(F)cc1)c1ncc([N+](=O)[O-])cc1Br ZINC000470436821 566872820 /nfs/dbraw/zinc/87/28/20/566872820.db2.gz QSEWAOFWRNHIFI-UHFFFAOYSA-N 0 3 397.248 3.460 20 5 GGBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCCn1cc(Br)cn1 ZINC000582569729 566875480 /nfs/dbraw/zinc/87/54/80/566875480.db2.gz UWPBCKMJMXRZPA-UHFFFAOYSA-N 0 3 383.246 3.132 20 5 GGBDHN CN(C)CCN(Cc1ccccc1)c1ncc([N+](=O)[O-])cc1Br ZINC000470512225 566878407 /nfs/dbraw/zinc/87/84/07/566878407.db2.gz UMGVFEBMBZXMPJ-UHFFFAOYSA-N 0 3 379.258 3.321 20 5 GGBDHN CCOC1CC(N(C)Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000582694367 566885918 /nfs/dbraw/zinc/88/59/18/566885918.db2.gz MASJXLMOVZVVFE-UHFFFAOYSA-N 0 3 390.221 3.199 20 5 GGBDHN CN(Cc1ccccc1)[C@H]1CCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000611227598 566902212 /nfs/dbraw/zinc/90/22/12/566902212.db2.gz GOFZNMJPXQTUKC-AWEZNQCLSA-N 0 3 391.269 3.463 20 5 GGBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000429140599 566909330 /nfs/dbraw/zinc/90/93/30/566909330.db2.gz YVTCTNXLKHVZGJ-INIZCTEOSA-N 0 3 379.869 3.277 20 5 GGBDHN Cc1sc(S(=O)(=O)N(C)C(C)(C)CN2CCCCCC2)cc1[N+](=O)[O-] ZINC000491832340 566916890 /nfs/dbraw/zinc/91/68/90/566916890.db2.gz PRNVMJOATYQLGX-UHFFFAOYSA-N 0 3 389.543 3.240 20 5 GGBDHN C[C@H](CNCc1cc(I)cc([N+](=O)[O-])c1)C(F)(F)F ZINC000564007331 566935840 /nfs/dbraw/zinc/93/58/40/566935840.db2.gz ANTIDJRQANTCKI-SSDOTTSWSA-N 0 3 388.127 3.487 20 5 GGBDHN C[C@@H](CNCc1cc(I)cc([N+](=O)[O-])c1)C(F)(F)F ZINC000564007332 566936131 /nfs/dbraw/zinc/93/61/31/566936131.db2.gz ANTIDJRQANTCKI-ZETCQYMHSA-N 0 3 388.127 3.487 20 5 GGBDHN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCN(C2CCCC2)C1 ZINC000544225357 566948120 /nfs/dbraw/zinc/94/81/20/566948120.db2.gz VUVXLSUDLHGBDU-CYBMUJFWSA-N 0 3 383.901 3.473 20 5 GGBDHN CN(CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000429827175 566954602 /nfs/dbraw/zinc/95/46/02/566954602.db2.gz BBULNHXJZRQKIX-UHFFFAOYSA-N 0 3 392.253 3.219 20 5 GGBDHN Cc1c(Br)c(N(CCN(C)C)Cc2ccccn2)ncc1[N+](=O)[O-] ZINC000544396249 566961466 /nfs/dbraw/zinc/96/14/66/566961466.db2.gz VTEHREONFZGCPZ-UHFFFAOYSA-N 0 3 394.273 3.024 20 5 GGBDHN COc1ccc(CNCCc2ccc([N+](=O)[O-])cc2)c(Br)c1O ZINC000544839797 567000604 /nfs/dbraw/zinc/00/06/04/567000604.db2.gz IIHLSPOPNQOXOZ-UHFFFAOYSA-N 0 3 381.226 3.404 20 5 GGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1ccc(Br)c(F)c1 ZINC000584048653 567006676 /nfs/dbraw/zinc/00/66/76/567006676.db2.gz ZXMVZUQXFBKUCH-GFCCVEGCSA-N 0 3 399.216 3.026 20 5 GGBDHN Cc1ccc([C@H](C)NCCn2cc(Br)ccc2=O)cc1[N+](=O)[O-] ZINC000453240482 567066561 /nfs/dbraw/zinc/06/65/61/567066561.db2.gz CLEAUVFBVSIXLA-LBPRGKRZSA-N 0 3 380.242 3.178 20 5 GGBDHN Cc1c([C@H](C)NCCn2cc(Br)ccc2=O)cccc1[N+](=O)[O-] ZINC000453255262 567069959 /nfs/dbraw/zinc/06/99/59/567069959.db2.gz RPCMPEZMLHURKE-LBPRGKRZSA-N 0 3 380.242 3.178 20 5 GGBDHN CC(C)(C)[C@H](CCO)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000584807802 567072176 /nfs/dbraw/zinc/07/21/76/567072176.db2.gz PEMKEXDRRPWXAT-ZDUSSCGKSA-N 0 3 392.237 3.086 20 5 GGBDHN CC[C@@H](CN1CCCC1)NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000585699513 567080594 /nfs/dbraw/zinc/08/05/94/567080594.db2.gz YRSRPKWGUMJGQY-LBPRGKRZSA-N 0 3 384.274 3.270 20 5 GGBDHN CN(CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000431438774 567081555 /nfs/dbraw/zinc/08/15/55/567081555.db2.gz OBFABNVFKLNTPO-UHFFFAOYSA-N 0 3 392.253 3.219 20 5 GGBDHN Cc1ccc(CCNCc2cc(I)cc([N+](=O)[O-])c2)nc1 ZINC000453608979 567097161 /nfs/dbraw/zinc/09/71/61/567097161.db2.gz YYJIOSGPXJGKLW-UHFFFAOYSA-N 0 3 397.216 3.235 20 5 GGBDHN CC[C@@H](C[C@@H](C)CO)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000565803801 567100872 /nfs/dbraw/zinc/10/08/72/567100872.db2.gz PWVXAFPAKGPMRC-MFKMUULPSA-N 0 3 392.237 3.086 20 5 GGBDHN CC(C)(CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)N1CCCCC1 ZINC000431760476 567105845 /nfs/dbraw/zinc/10/58/45/567105845.db2.gz RUXNDCIXJGELEI-UHFFFAOYSA-N 0 3 384.274 3.352 20 5 GGBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431789625 567106858 /nfs/dbraw/zinc/10/68/58/567106858.db2.gz BOAVBFDKMRMIBD-NWDGAFQWSA-N 0 3 384.274 3.208 20 5 GGBDHN C[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000431768422 567107350 /nfs/dbraw/zinc/10/73/50/567107350.db2.gz KNCCJHPTEANMRV-VXGBXAGGSA-N 0 3 384.274 3.208 20 5 GGBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431789627 567107720 /nfs/dbraw/zinc/10/77/20/567107720.db2.gz BOAVBFDKMRMIBD-VXGBXAGGSA-N 0 3 384.274 3.208 20 5 GGBDHN CN1CC=C(CNc2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1 ZINC000546887935 567168000 /nfs/dbraw/zinc/16/80/00/567168000.db2.gz MGQJMHMKCSFYAJ-UHFFFAOYSA-N 0 3 377.242 3.001 20 5 GGBDHN NC(=O)[C@@H](Cc1ccc(Cl)cc1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000546885833 567168034 /nfs/dbraw/zinc/16/80/34/567168034.db2.gz MYYQSXDZDBCOMD-OAHLLOKOSA-N 0 3 382.247 3.130 20 5 GGBDHN CC(C)(C)CN(CCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589253952 567169856 /nfs/dbraw/zinc/16/98/56/567169856.db2.gz OYNHAOPBXXGJFA-UHFFFAOYSA-N 0 3 392.237 3.040 20 5 GGBDHN O=[N+]([O-])c1cc(I)cc(CN[C@@H]2CCC(F)(F)C2)c1 ZINC000589315657 567175003 /nfs/dbraw/zinc/17/50/03/567175003.db2.gz MSEXNQZVSGVMBL-SNVBAGLBSA-N 0 3 382.148 3.477 20 5 GGBDHN C[C@H](CNCc1cc(I)cc([N+](=O)[O-])c1)c1ccncc1 ZINC000589315349 567175482 /nfs/dbraw/zinc/17/54/82/567175482.db2.gz LBYDNTLUAIQXOV-LLVKDONJSA-N 0 3 397.216 3.488 20 5 GGBDHN CSC1(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CCN(C)CC1 ZINC000589477718 567180488 /nfs/dbraw/zinc/18/04/88/567180488.db2.gz HKDHAUCMEZCJNQ-CYBMUJFWSA-N 0 3 383.539 3.019 20 5 GGBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H]2CCCCC(F)(F)C2)cc1 ZINC000567708848 567270594 /nfs/dbraw/zinc/27/05/94/567270594.db2.gz XXAILGNPCHGQAZ-ZDUSSCGKSA-N 0 3 376.425 3.174 20 5 GGBDHN O=C(NC[C@@H]1CCCCN1C1CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000434437150 567308764 /nfs/dbraw/zinc/30/87/64/567308764.db2.gz NAEKFQRRNVSZLY-ZDUSSCGKSA-N 0 3 382.258 3.104 20 5 GGBDHN CCN(CC)[C@@H](CNc1c(Br)cncc1[N+](=O)[O-])c1ccco1 ZINC000500260081 567311135 /nfs/dbraw/zinc/31/11/35/567311135.db2.gz FGBALESZGDISFT-LBPRGKRZSA-N 0 3 383.246 3.262 20 5 GGBDHN CCCCCN(CCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000568449888 567330601 /nfs/dbraw/zinc/33/06/01/567330601.db2.gz XIJOQANKAZIPHN-UHFFFAOYSA-N 0 3 392.237 3.184 20 5 GGBDHN CC(C)(CO)CCCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000568736276 567352185 /nfs/dbraw/zinc/35/21/85/567352185.db2.gz LVXKPRGISFCSSK-UHFFFAOYSA-N 0 3 392.237 3.088 20 5 GGBDHN C[C@H]1SCC[C@@H]1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000592379971 567333876 /nfs/dbraw/zinc/33/38/76/567333876.db2.gz GBWJDLFSMFDKNZ-PELKAZGASA-N 0 3 378.235 3.183 20 5 GGBDHN Cc1c(Br)cc(C(=O)N2CC[C@H](N3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000568676733 567348360 /nfs/dbraw/zinc/34/83/60/567348360.db2.gz OEDREANBTAAZQY-DOMZBBRYSA-N 0 3 396.285 3.365 20 5 GGBDHN Cc1c(NC(=O)N[C@@H]2CCCN(C)[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000435326243 567356457 /nfs/dbraw/zinc/35/64/57/567356457.db2.gz CEHFQVFDMCUOCO-CMPLNLGQSA-N 0 3 385.262 3.270 20 5 GGBDHN CN(CCOc1cccc([N+](=O)[O-])c1)[C@@H](CO)c1cccc(Br)c1 ZINC000501420059 567387282 /nfs/dbraw/zinc/38/72/82/567387282.db2.gz PNTHARYLLNFRSS-KRWDZBQOSA-N 0 3 395.253 3.402 20 5 GGBDHN CN(CCOc1cccc([N+](=O)[O-])c1)[C@H](CO)c1cccc(Br)c1 ZINC000501420060 567387538 /nfs/dbraw/zinc/38/75/38/567387538.db2.gz PNTHARYLLNFRSS-QGZVFWFLSA-N 0 3 395.253 3.402 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)CN1CCCCC1 ZINC000550220546 567435395 /nfs/dbraw/zinc/43/53/95/567435395.db2.gz OGJBGVZMRHARMV-LLVKDONJSA-N 0 3 384.274 3.270 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCN1CCC[C@H](C)C1 ZINC000550220225 567436053 /nfs/dbraw/zinc/43/60/53/567436053.db2.gz FIHFLIJRLAWDGS-NSHDSACASA-N 0 3 384.274 3.127 20 5 GGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H](CO)CCF)o2)c(Br)c1 ZINC000593690414 567436284 /nfs/dbraw/zinc/43/62/84/567436284.db2.gz YHUCRCKSEZJLSY-SNVBAGLBSA-N 0 3 387.205 3.427 20 5 GGBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1ccc(Br)cc1[N+](=O)[O-] ZINC000594196072 567465417 /nfs/dbraw/zinc/46/54/17/567465417.db2.gz KPGRPXRUPKUQDF-KGLIPLIRSA-N 0 3 382.258 3.104 20 5 GGBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594199438 567465540 /nfs/dbraw/zinc/46/55/40/567465540.db2.gz ZKSKLDRTZMLXRT-HOTGVXAUSA-N 0 3 396.285 3.033 20 5 GGBDHN CN(C)CCN(Cc1ccsc1)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000458205167 567531891 /nfs/dbraw/zinc/53/18/91/567531891.db2.gz RUPYXYHUNREQGA-UHFFFAOYSA-N 0 3 379.507 3.339 20 5 GGBDHN CSC1(CNCc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000571291825 567551534 /nfs/dbraw/zinc/55/15/34/567551534.db2.gz OFJPTXSYOFGKDH-UHFFFAOYSA-N 0 3 378.235 3.185 20 5 GGBDHN CO[C@@H]1C[C@@H](NCc2cc(I)cc([N+](=O)[O-])c2)C1(C)C ZINC000571452150 567563996 /nfs/dbraw/zinc/56/39/96/567563996.db2.gz OJSIRCHMJGAZSY-CHWSQXEVSA-N 0 3 390.221 3.103 20 5 GGBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000506730568 567641791 /nfs/dbraw/zinc/64/17/91/567641791.db2.gz ITZYHCRHROBDPO-KRWDZBQOSA-N 0 3 383.539 3.264 20 5 GGBDHN CN(C)C(=O)[C@H]1CCCN1CCCNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000573116820 567689542 /nfs/dbraw/zinc/68/95/42/567689542.db2.gz CMEFVWYNNJBJAS-CYBMUJFWSA-N 0 3 389.283 3.256 20 5 GGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCCSc1ccc(Cl)cc1 ZINC000573712925 567731393 /nfs/dbraw/zinc/73/13/93/567731393.db2.gz MEBGJQGASHXKTJ-CQSZACIVSA-N 0 3 382.869 3.370 20 5 GGBDHN C[C@@H](Cc1ccncc1)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000554971507 567759730 /nfs/dbraw/zinc/75/97/30/567759730.db2.gz OTZJSPJSDNNRSC-NSHDSACASA-N 0 3 397.216 3.315 20 5 GGBDHN O=[N+]([O-])c1cc(I)cc(CNCCOC2CCCC2)c1 ZINC000554969550 567760318 /nfs/dbraw/zinc/76/03/18/567760318.db2.gz OXOYWTFACOKXAR-UHFFFAOYSA-N 0 3 390.221 3.248 20 5 GGBDHN C[C@H](SCCN(C)C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000533807055 567788366 /nfs/dbraw/zinc/78/83/66/567788366.db2.gz PGHUHBRCCHVSKD-NSHDSACASA-N 0 3 380.495 3.340 20 5 GGBDHN COC1(CCNCc2cc(I)cc([N+](=O)[O-])c2)CCC1 ZINC000555601472 567791340 /nfs/dbraw/zinc/79/13/40/567791340.db2.gz STPGVEGUCIETRS-UHFFFAOYSA-N 0 3 390.221 3.248 20 5 GGBDHN CC(C)(CNC(=O)c1c(Br)cccc1[N+](=O)[O-])N1CCCCC1 ZINC000598968628 567800766 /nfs/dbraw/zinc/80/07/66/567800766.db2.gz APTSQYPPHWZXTN-UHFFFAOYSA-N 0 3 384.274 3.352 20 5 GGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3C[C@@H](O)C3)o2)c(Br)c1 ZINC000599008151 567803175 /nfs/dbraw/zinc/80/31/75/567803175.db2.gz UZRVWUGKIBKZKD-KLPPZKSPSA-N 0 3 381.226 3.478 20 5 GGBDHN C[C@@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000599071141 567804630 /nfs/dbraw/zinc/80/46/30/567804630.db2.gz QYAPQMYXVLQYDJ-NEPJUHHUSA-N 0 3 384.274 3.208 20 5 GGBDHN COc1cc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c([N+](=O)[O-])cc1OC ZINC000023737435 570370741 /nfs/dbraw/zinc/37/07/41/570370741.db2.gz UQFCRHSGJLEOPW-SFHVURJKSA-N 0 3 399.447 3.179 20 5 GGBDHN COc1ccc([C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 ZINC000006602486 570491827 /nfs/dbraw/zinc/49/18/27/570491827.db2.gz JEYUITOLIIDDCK-FQEVSTJZSA-N 0 3 383.448 3.099 20 5 GGBDHN COc1ccc(CN2CCCN(c3c4c(ccc3[N+](=O)[O-])NCC4)CC2)cc1 ZINC000170601980 570860284 /nfs/dbraw/zinc/86/02/84/570860284.db2.gz CHFAYHBHRUXNDY-UHFFFAOYSA-N 0 3 382.464 3.284 20 5 GGBDHN O=[N+]([O-])c1cc(NCc2ccccc2C[NH+]2CCCCC2)ccc1-c1nnn[n-]1 ZINC000823635449 607345759 /nfs/dbraw/zinc/34/57/59/607345759.db2.gz WPGHWHUHXOPUBL-UHFFFAOYSA-N 0 3 393.451 3.373 20 5 GGBDHN C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820761581 606470745 /nfs/dbraw/zinc/47/07/45/606470745.db2.gz XZMWROBTNWSFRN-PBHICJAKSA-N 0 3 393.451 3.097 20 5 GGBDHN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820761581 606470747 /nfs/dbraw/zinc/47/07/47/606470747.db2.gz XZMWROBTNWSFRN-PBHICJAKSA-N 0 3 393.451 3.097 20 5 GGBDHN C[C@H]1CCCC[N@@H+]1CCC1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000820703238 606877637 /nfs/dbraw/zinc/87/76/37/606877637.db2.gz DGNZGUWDCOSFPX-HNNXBMFYSA-N 0 3 399.499 3.256 20 5 GGBDHN C[C@H]1CCCC[N@H+]1CCC1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000820703238 606877639 /nfs/dbraw/zinc/87/76/39/606877639.db2.gz DGNZGUWDCOSFPX-HNNXBMFYSA-N 0 3 399.499 3.256 20 5 GGBDHN C[C@H]1CCCC[N@@H+]1CCC1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000820703238 606877641 /nfs/dbraw/zinc/87/76/41/606877641.db2.gz DGNZGUWDCOSFPX-HNNXBMFYSA-N 0 3 399.499 3.256 20 5 GGBDHN C[C@H]1CCCC[N@H+]1CCC1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000820703238 606877643 /nfs/dbraw/zinc/87/76/43/606877643.db2.gz DGNZGUWDCOSFPX-HNNXBMFYSA-N 0 3 399.499 3.256 20 5 GGBDHN O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)C1CC1 ZINC000823646764 607056450 /nfs/dbraw/zinc/05/64/50/607056450.db2.gz AAQWOCGIGOIKOM-QGZVFWFLSA-N 0 3 382.399 3.025 20 5 GGBDHN O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1F)C1CC1 ZINC000823646764 607056452 /nfs/dbraw/zinc/05/64/52/607056452.db2.gz AAQWOCGIGOIKOM-QGZVFWFLSA-N 0 3 382.399 3.025 20 5 GGBDHN C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820419870 607089713 /nfs/dbraw/zinc/08/97/13/607089713.db2.gz KZSMKTIDDBCDTF-CQSZACIVSA-N 0 3 393.451 3.095 20 5 GGBDHN C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820419870 607089715 /nfs/dbraw/zinc/08/97/15/607089715.db2.gz KZSMKTIDDBCDTF-CQSZACIVSA-N 0 3 393.451 3.095 20 5 GGBDHN O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1cc(-c2nnn[n-]2)ccc1F)C1CC1 ZINC000826500126 608283473 /nfs/dbraw/zinc/28/34/73/608283473.db2.gz MEUXANFNWZOWMV-KRWDZBQOSA-N 0 3 382.399 3.025 20 5 GGBDHN O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1cc(-c2nn[n-]n2)ccc1F)C1CC1 ZINC000826500126 608283474 /nfs/dbraw/zinc/28/34/74/608283474.db2.gz MEUXANFNWZOWMV-KRWDZBQOSA-N 0 3 382.399 3.025 20 5 GGBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000054223732 1406658221 /nfs/dbraw/zinc/65/82/21/1406658221.db2.gz BTNAZULRJVLFED-HIFRSBDPSA-N 0 3 379.420 3.036 20 5 GGBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000054224040 1406658359 /nfs/dbraw/zinc/65/83/59/1406658359.db2.gz DQVTZVVKFJRJKS-AEFFLSMTSA-N 0 3 382.464 3.349 20 5 GGBDHN O=C(NC1CC1)c1ccc(N[C@@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000054359411 1406700630 /nfs/dbraw/zinc/70/06/30/1406700630.db2.gz NSZKZXTYVVRPQD-GOSISDBHSA-N 0 3 380.448 3.173 20 5 GGBDHN CC(C)NC(=O)c1ccc(N[C@@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000054359408 1406700666 /nfs/dbraw/zinc/70/06/66/1406700666.db2.gz WVOKEQJBXAILNO-GOSISDBHSA-N 0 3 382.464 3.419 20 5 GGBDHN Cc1cccc(C(=O)NCCCCN2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000054573732 1406772636 /nfs/dbraw/zinc/77/26/36/1406772636.db2.gz VEOCQZXADOEJOV-UHFFFAOYSA-N 0 3 396.491 3.235 20 5 GGBDHN CN(C)CCN(Cc1ccccc1F)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000054644321 1406793914 /nfs/dbraw/zinc/79/39/14/1406793914.db2.gz ZNKCLDKCMZCWMX-UHFFFAOYSA-N 0 3 388.443 3.050 20 5 GGBDHN Cc1ccccc1CN1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000054647700 1406796438 /nfs/dbraw/zinc/79/64/38/1406796438.db2.gz BFBUXCNJGPQHNH-UHFFFAOYSA-N 0 3 396.491 3.363 20 5 GGBDHN CCN1CCN(Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)CC1 ZINC000054776361 1406822827 /nfs/dbraw/zinc/82/28/27/1406822827.db2.gz SVQSSZOMDBGWAC-UHFFFAOYSA-N 0 3 386.427 3.124 20 5 GGBDHN CC(C)(CNC(=O)CCOc1ccccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000055260045 1406915629 /nfs/dbraw/zinc/91/56/29/1406915629.db2.gz GXZWLBPFTIZDHL-UHFFFAOYSA-N 0 3 397.475 3.317 20 5 GGBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000055404708 1406950047 /nfs/dbraw/zinc/95/00/47/1406950047.db2.gz SJLLPGBNVQMVMG-QZTJIDSGSA-N 0 3 391.515 3.391 20 5 GGBDHN COc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])cc1OC ZINC000017362828 1399281808 /nfs/dbraw/zinc/28/18/08/1399281808.db2.gz GGAGDQSKNWFFFY-UHFFFAOYSA-N 0 3 399.447 3.006 20 5 GGBDHN COc1ccc([C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000017911607 1399294943 /nfs/dbraw/zinc/29/49/43/1399294943.db2.gz JGQFRAQQHPGAHA-FQEVSTJZSA-N 0 3 383.448 3.099 20 5 GGBDHN O=C(NCC1CCN(Cc2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000023016075 1399525595 /nfs/dbraw/zinc/52/55/95/1399525595.db2.gz CCGDKANOBBNGHJ-UHFFFAOYSA-N 0 3 388.855 3.285 20 5 GGBDHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000023738323 1399581563 /nfs/dbraw/zinc/58/15/63/1399581563.db2.gz AOFJBZOAPYPFLY-GOSISDBHSA-N 0 3 384.392 3.070 20 5 GGBDHN O=C(NC1CC1)c1ccc(NCCCN2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000025497641 1399813595 /nfs/dbraw/zinc/81/35/95/1399813595.db2.gz KLSCPBMXQAAVLQ-UHFFFAOYSA-N 0 3 394.475 3.347 20 5 GGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(Cc2ccccc2)CC1 ZINC000026158279 1399864998 /nfs/dbraw/zinc/86/49/98/1399864998.db2.gz DTPWYYQPSPXKRN-UHFFFAOYSA-N 0 3 382.464 3.050 20 5 GGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000026300056 1399876850 /nfs/dbraw/zinc/87/68/50/1399876850.db2.gz XRYBKUDEOUYVFG-YJBOKZPZSA-N 0 3 387.505 3.365 20 5 GGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(CCc2ccccc2)CC1 ZINC000026341193 1399880137 /nfs/dbraw/zinc/88/01/37/1399880137.db2.gz OWVZIFUIIFAFAO-UHFFFAOYSA-N 0 3 396.491 3.092 20 5 GGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN(Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000026715717 1399924701 /nfs/dbraw/zinc/92/47/01/1399924701.db2.gz HTMJYGLXPIAMCT-AEFFLSMTSA-N 0 3 392.477 3.077 20 5 GGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(c3nc4ccccc4o3)CC2)c1 ZINC000026712901 1399924911 /nfs/dbraw/zinc/92/49/11/1399924911.db2.gz XIWAJFWCZBWOME-KRWDZBQOSA-N 0 3 397.431 3.355 20 5 GGBDHN C[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1OC(F)F ZINC000028922053 1400211690 /nfs/dbraw/zinc/21/16/90/1400211690.db2.gz LYKWUCNPANLCSQ-OCCSQVGLSA-N 0 3 382.363 3.287 20 5 GGBDHN CC(C)[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000029174713 1400253951 /nfs/dbraw/zinc/25/39/51/1400253951.db2.gz FSGTVRBZBXUPRS-OAQYLSRUSA-N 0 3 397.475 3.173 20 5 GGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000029828974 1400359441 /nfs/dbraw/zinc/35/94/41/1400359441.db2.gz LVHFVFGOIXTRID-WBVHZDCISA-N 0 3 397.431 3.355 20 5 GGBDHN CN(Cc1ccccc1C(F)(F)F)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000043644406 1403795879 /nfs/dbraw/zinc/79/58/79/1403795879.db2.gz QOHXWKZMSHOWPK-OAHLLOKOSA-N 0 3 384.354 3.485 20 5 GGBDHN CCN(CC)[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000044384481 1403928584 /nfs/dbraw/zinc/92/85/84/1403928584.db2.gz OFTBAUZZLHFLDQ-MRXNPFEDSA-N 0 3 377.466 3.478 20 5 GGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1ccc(F)c(F)c1 ZINC000044438861 1403933778 /nfs/dbraw/zinc/93/37/78/1403933778.db2.gz AEBQOIVTHMMHBU-UHFFFAOYSA-N 0 3 379.363 3.342 20 5 GGBDHN 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KYMSYOYIASFIKK-UHFFFAOYSA-N 0 3 387.436 3.466 20 5 GGBDHN CCCC(=O)N[C@@H]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104682587 1410927086 /nfs/dbraw/zinc/92/70/86/1410927086.db2.gz LAISXAYAZVWGPB-MRXNPFEDSA-N 0 3 386.452 3.173 20 5 GGBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCCN(Cc2ccccc2)CC1 ZINC000105545327 1411083026 /nfs/dbraw/zinc/08/30/26/1411083026.db2.gz GKQVPSNHZYPWPJ-QGZVFWFLSA-N 0 3 382.464 3.130 20 5 GGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2CCCN(c3cccnn3)C2)o1 ZINC000109071325 1411676952 /nfs/dbraw/zinc/67/69/52/1411676952.db2.gz IELKUKPQOXXVHA-OAHLLOKOSA-N 0 3 379.420 3.403 20 5 GGBDHN COc1ccc([C@@H](N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C2CC2)cc1 ZINC000109147297 1411694650 /nfs/dbraw/zinc/69/46/50/1411694650.db2.gz PNTOCIGWBNWJBZ-UXHICEINSA-N 0 3 381.432 3.450 20 5 GGBDHN Cc1c(NC(=O)CCCN2CCN(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000109740425 1411807121 /nfs/dbraw/zinc/80/71/21/1411807121.db2.gz GAVKOTMHVKKCLR-UHFFFAOYSA-N 0 3 382.464 3.444 20 5 GGBDHN C[C@H](NC(=O)CCCN1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000110230729 1411838917 /nfs/dbraw/zinc/83/89/17/1411838917.db2.gz JVWOMPSEVDFSQA-SFHVURJKSA-N 0 3 396.491 3.374 20 5 GGBDHN C[C@H](CN1CCOCC1)N(CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000111172589 1411893688 /nfs/dbraw/zinc/89/36/88/1411893688.db2.gz JTJHSYUGMVWWAZ-LJQANCHMSA-N 0 3 399.491 3.197 20 5 GGBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000111227432 1411896502 /nfs/dbraw/zinc/89/65/02/1411896502.db2.gz LGYODDAXMPHHCA-OAHLLOKOSA-N 0 3 391.493 3.311 20 5 GGBDHN CC(C)CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H](O)c1ccc(F)cc1 ZINC000112655685 1412186384 /nfs/dbraw/zinc/18/63/84/1412186384.db2.gz LMJHYIDRDFPGPN-IBGZPJMESA-N 0 3 389.427 3.024 20 5 GGBDHN CC(C)CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H](O)c1ccc(F)cc1 ZINC000112655689 1412187582 /nfs/dbraw/zinc/18/75/82/1412187582.db2.gz LMJHYIDRDFPGPN-LJQANCHMSA-N 0 3 389.427 3.024 20 5 GGBDHN CN1CCC(N(Cc2ccco2)C(=O)CSc2ccccc2[N+](=O)[O-])CC1 ZINC000112915665 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CN(C)Cc1ccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1F ZINC000136071028 1417289640 /nfs/dbraw/zinc/28/96/40/1417289640.db2.gz JURAUKLSVKJYSD-UHFFFAOYSA-N 0 3 397.454 3.486 20 5 GGBDHN O=[N+]([O-])c1cc(CNC[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)cs1 ZINC000136495347 1417321180 /nfs/dbraw/zinc/32/11/80/1417321180.db2.gz OGDLODVBXVEWOK-LBPRGKRZSA-N 0 3 390.383 3.496 20 5 GGBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000136928133 1417356388 /nfs/dbraw/zinc/35/63/88/1417356388.db2.gz SPNPSHIHQCOJEV-KRWDZBQOSA-N 0 3 388.493 3.335 20 5 GGBDHN COc1cc(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000137458362 1417387329 /nfs/dbraw/zinc/38/73/29/1417387329.db2.gz AKAXIQVAFWKAQI-GDBMZVCRSA-N 0 3 399.447 3.005 20 5 GGBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCN(C)Cc1ccccc1 ZINC000138481179 1417419670 /nfs/dbraw/zinc/41/96/70/1417419670.db2.gz MAGGICIMLFLOHE-AWEZNQCLSA-N 0 3 391.855 3.264 20 5 GGBDHN Cc1ccc([C@@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000143125372 1417614731 /nfs/dbraw/zinc/61/47/31/1417614731.db2.gz OOKMPTSUWZWOEZ-HXUWFJFHSA-N 0 3 383.448 3.235 20 5 GGBDHN CCOC(=O)c1ccnc(N(C)C2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000150841893 1417818071 /nfs/dbraw/zinc/81/80/71/1417818071.db2.gz DWGCCXPZBXVHQV-UHFFFAOYSA-N 0 3 398.463 3.267 20 5 GGBDHN COc1ccc([C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000151030119 1417858952 /nfs/dbraw/zinc/85/89/52/1417858952.db2.gz ZGALBYBNOIJKGU-OAQYLSRUSA-N 0 3 397.475 3.489 20 5 GGBDHN COc1cc(OC)cc(Oc2ccc(CNCCn3cc([N+](=O)[O-])cn3)cc2)c1 ZINC000151278771 1417912348 /nfs/dbraw/zinc/91/23/48/1417912348.db2.gz WEZYRSHIWZHXKF-UHFFFAOYSA-N 0 3 398.419 3.391 20 5 GGBDHN O=[N+]([O-])c1cnn(CCNCc2cn(-c3ccccc3)nc2-c2ccccc2)c1 ZINC000151283676 1417914682 /nfs/dbraw/zinc/91/46/82/1417914682.db2.gz UFPWRPNEIRYTTA-UHFFFAOYSA-N 0 3 388.431 3.434 20 5 GGBDHN CC(C)N(CCN(C)C)C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000151954997 1418103004 /nfs/dbraw/zinc/10/30/04/1418103004.db2.gz JFJQRANMIPSBHB-UHFFFAOYSA-N 0 3 376.501 3.243 20 5 GGBDHN COc1ccc([C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000152266269 1418189210 /nfs/dbraw/zinc/18/92/10/1418189210.db2.gz KHQGGHASYIMMHW-HXUWFJFHSA-N 0 3 383.448 3.099 20 5 GGBDHN O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@@H](c4n[nH]c(C5CC5)n4)C3)n2)c1 ZINC000152284880 1418195169 /nfs/dbraw/zinc/19/51/69/1418195169.db2.gz GFHAOQDZLCAXSO-CQSZACIVSA-N 0 3 395.423 3.020 20 5 GGBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@H](c4nc(C5CC5)n[nH]4)C3)o2)cc1 ZINC000179514216 1429404104 /nfs/dbraw/zinc/40/41/04/1429404104.db2.gz JOAOSDIILWHAOV-AWEZNQCLSA-N 0 3 395.423 3.020 20 5 GGBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)o2)cc1 ZINC000179514216 1429404106 /nfs/dbraw/zinc/40/41/06/1429404106.db2.gz JOAOSDIILWHAOV-AWEZNQCLSA-N 0 3 395.423 3.020 20 5 GGBDHN O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)n2)cc1 ZINC000179508672 1429401482 /nfs/dbraw/zinc/40/14/82/1429401482.db2.gz NHQNXSJBNLTVEV-AWEZNQCLSA-N 0 3 395.423 3.020 20 5 GGBDHN Cc1c(CN[C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cccc1[N+](=O)[O-] ZINC000179655605 1429492543 /nfs/dbraw/zinc/49/25/43/1429492543.db2.gz ZSMXFWOFURJEAS-HNNXBMFYSA-N 0 3 383.448 3.411 20 5 GGBDHN CCc1nc2c(s1)[C@@H](N(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC000152511928 1422126410 /nfs/dbraw/zinc/12/64/10/1422126410.db2.gz LYCHQLJDDNAEKZ-YOEHRIQHSA-N 0 3 391.493 3.363 20 5 GGBDHN CCc1nc2c(s1)[C@H](N(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC000152511841 1422126438 /nfs/dbraw/zinc/12/64/38/1422126438.db2.gz LYCHQLJDDNAEKZ-WMLDXEAASA-N 0 3 391.493 3.363 20 5 GGBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000152623081 1422173088 /nfs/dbraw/zinc/17/30/88/1422173088.db2.gz TVMLHZCFJMPHJM-SFHVURJKSA-N 0 3 392.459 3.399 20 5 GGBDHN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000179754693 1429540497 /nfs/dbraw/zinc/54/04/97/1429540497.db2.gz PVYUALXNKSOABD-INIZCTEOSA-N 0 3 389.477 3.489 20 5 GGBDHN C[C@@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000179760082 1429544728 /nfs/dbraw/zinc/54/47/28/1429544728.db2.gz XUHAFJMSTPVXLL-ZUOKHONESA-N 0 3 397.431 3.434 20 5 GGBDHN O=C(Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])o1 ZINC000152973947 1422312671 /nfs/dbraw/zinc/31/26/71/1422312671.db2.gz BWLYGBKVEQLXDS-HNNXBMFYSA-N 0 3 381.392 3.084 20 5 GGBDHN CC1CCC(N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]2CCCO2)CC1 ZINC000152977197 1422314287 /nfs/dbraw/zinc/31/42/87/1422314287.db2.gz FXZMCBOZCGZJBO-UYJHFMRCSA-N 0 3 375.469 3.253 20 5 GGBDHN O=C(Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000153019163 1422329203 /nfs/dbraw/zinc/32/92/03/1422329203.db2.gz KWMMSOBTVZEEKR-QGZVFWFLSA-N 0 3 391.431 3.491 20 5 GGBDHN CC[C@@H](NCCOc1ccc(S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000153126367 1422365716 /nfs/dbraw/zinc/36/57/16/1422365716.db2.gz CDVHMVLIRNIVLU-GOSISDBHSA-N 0 3 378.450 3.118 20 5 GGBDHN CC[C@H](NCCOc1ccc(S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000153126247 1422366125 /nfs/dbraw/zinc/36/61/25/1422366125.db2.gz CDVHMVLIRNIVLU-SFHVURJKSA-N 0 3 378.450 3.118 20 5 GGBDHN COc1ccc(C[C@H](C)CN(C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000153367761 1422498867 /nfs/dbraw/zinc/49/88/67/1422498867.db2.gz QCVZVQJQPJVCSJ-INIZCTEOSA-N 0 3 385.464 3.377 20 5 GGBDHN COc1ccc([C@@H](CNc2ncc(Cl)cc2[N+](=O)[O-])N(C)C)cc1OC ZINC000153516801 1422580764 /nfs/dbraw/zinc/58/07/64/1422580764.db2.gz ZKAIGFHQDUPNPX-CQSZACIVSA-N 0 3 380.832 3.375 20 5 GGBDHN O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000153601268 1422641839 /nfs/dbraw/zinc/64/18/39/1422641839.db2.gz YQDDAIJFIQMVTL-OAQYLSRUSA-N 0 3 394.475 3.500 20 5 GGBDHN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN(CCO)C2CC2)cc1 ZINC000153630654 1422659766 /nfs/dbraw/zinc/65/97/66/1422659766.db2.gz XZQMPGVZGDBPGP-UHFFFAOYSA-N 0 3 378.432 3.404 20 5 GGBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H](Cc1ccccc1)c1ccccc1F ZINC000179807285 1429581009 /nfs/dbraw/zinc/58/10/09/1429581009.db2.gz FDPWUBZCOLLWPM-HXUWFJFHSA-N 0 3 381.407 3.469 20 5 GGBDHN CCCCCCNC(=O)[C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000153829285 1422785191 /nfs/dbraw/zinc/78/51/91/1422785191.db2.gz SQLOYXYPHSIMSC-HKUYNNGSSA-N 0 3 377.485 3.037 20 5 GGBDHN C[C@H](Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000153936903 1422813658 /nfs/dbraw/zinc/81/36/58/1422813658.db2.gz BUOOGIIYFPVKOF-DOTOQJQBSA-N 0 3 397.479 3.329 20 5 GGBDHN O=C(CC1(N2CCOCC2)CCCC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000153980274 1422820415 /nfs/dbraw/zinc/82/04/15/1422820415.db2.gz QUVRPZQOJAZUEL-UHFFFAOYSA-N 0 3 387.480 3.121 20 5 GGBDHN CCOc1ccc([C@@H](C)N[C@@H]2CCN(C(=O)C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000154267920 1422864679 /nfs/dbraw/zinc/86/46/79/1422864679.db2.gz SXGFWSDEVYBWQH-RHSMWYFYSA-N 0 3 375.469 3.435 20 5 GGBDHN O=[N+]([O-])c1cccc([C@H](O)CN(Cc2ccccc2)C[C@H](O)c2ccco2)c1 ZINC000154429515 1422887734 /nfs/dbraw/zinc/88/77/34/1422887734.db2.gz ZIGLMIYXPXMUIE-UXHICEINSA-N 0 3 382.416 3.457 20 5 GGBDHN COc1cc(CN2CCC[C@@H](CO)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000154618272 1422965284 /nfs/dbraw/zinc/96/52/84/1422965284.db2.gz CBQANILVZWXBEG-GOSISDBHSA-N 0 3 386.448 3.387 20 5 GGBDHN CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1 ZINC000179923835 1429643114 /nfs/dbraw/zinc/64/31/14/1429643114.db2.gz PJRLBMKTSYLZBZ-HNNXBMFYSA-N 0 3 379.363 3.229 20 5 GGBDHN C[C@H](c1ccncc1)N1CCC(NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000155550358 1423414095 /nfs/dbraw/zinc/41/40/95/1423414095.db2.gz JKLRKKZFULSYGD-MRXNPFEDSA-N 0 3 382.464 3.264 20 5 GGBDHN C[C@H](c1ccncc1)N1CCC(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000155642145 1423464334 /nfs/dbraw/zinc/46/43/34/1423464334.db2.gz GFTSGVAGHFYRGF-IEXSPKMKSA-N 0 3 380.448 3.345 20 5 GGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000156019838 1423636822 /nfs/dbraw/zinc/63/68/22/1423636822.db2.gz KFKYONQXKYPPGU-UHFFFAOYSA-N 0 3 398.463 3.182 20 5 GGBDHN C[C@H](NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000156843463 1423873643 /nfs/dbraw/zinc/87/36/43/1423873643.db2.gz JPWRYKHVRCVPIT-ZBEGNZNMSA-N 0 3 378.812 3.404 20 5 GGBDHN C[C@@H](NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000156843878 1423874254 /nfs/dbraw/zinc/87/42/54/1423874254.db2.gz JPWRYKHVRCVPIT-BDJLRTHQSA-N 0 3 378.812 3.404 20 5 GGBDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000157302668 1423979422 /nfs/dbraw/zinc/97/94/22/1423979422.db2.gz SGYHEICRCFFRAB-UHFFFAOYSA-N 0 3 377.828 3.158 20 5 GGBDHN COc1cccc([C@@H](O)CN(CCn2ccc([N+](=O)[O-])n2)Cc2ccccc2)c1 ZINC000157781848 1424087515 /nfs/dbraw/zinc/08/75/15/1424087515.db2.gz SCGJQMORUMWASH-FQEVSTJZSA-N 0 3 396.447 3.036 20 5 GGBDHN CCC[C@H](NCc1ccnc(N2CCN(C)CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000159171167 1424434561 /nfs/dbraw/zinc/43/45/61/1424434561.db2.gz WVPLUFSDHSGWDO-FQEVSTJZSA-N 0 3 383.496 3.373 20 5 GGBDHN CCN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000159556065 1424512741 /nfs/dbraw/zinc/51/27/41/1424512741.db2.gz BEDJGLQQNFPDTI-NRFANRHFSA-N 0 3 396.491 3.443 20 5 GGBDHN CCN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000159778498 1424533188 /nfs/dbraw/zinc/53/31/88/1424533188.db2.gz CLZGZMPHUXIYAO-FQEVSTJZSA-N 0 3 382.464 3.401 20 5 GGBDHN CCN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000161012056 1424652012 /nfs/dbraw/zinc/65/20/12/1424652012.db2.gz QBKAWVRLZNBKDZ-NRFANRHFSA-N 0 3 396.491 3.443 20 5 GGBDHN Cc1c(CC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)cccc1[N+](=O)[O-] ZINC000163550712 1425016127 /nfs/dbraw/zinc/01/61/27/1425016127.db2.gz SAFIFLQPSIZHPH-UHFFFAOYSA-N 0 3 391.418 3.314 20 5 GGBDHN O=C(CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)NCc1cccnc1 ZINC000171051699 1425455915 /nfs/dbraw/zinc/45/59/15/1425455915.db2.gz KQMGRIJTTDKRHB-UHFFFAOYSA-N 0 3 380.404 3.046 20 5 GGBDHN CCc1n[n-]c(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000171371346 1425645278 /nfs/dbraw/zinc/64/52/78/1425645278.db2.gz BNGMORFGAHTBKO-OAHLLOKOSA-N 0 3 391.859 3.101 20 5 GGBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000172694381 1426147470 /nfs/dbraw/zinc/14/74/70/1426147470.db2.gz LQPUPKNJHDPYKP-QGZVFWFLSA-N 0 3 382.464 3.401 20 5 GGBDHN CCN(CC)[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000172710499 1426154143 /nfs/dbraw/zinc/15/41/43/1426154143.db2.gz SCCYEZICOSPYEM-FQEVSTJZSA-N 0 3 385.464 3.345 20 5 GGBDHN CCOC(=O)c1ccnc(N2CC[C@H](C)N(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000172813679 1426201612 /nfs/dbraw/zinc/20/16/12/1426201612.db2.gz LKLIZBMAICICFB-INIZCTEOSA-N 0 3 398.463 3.267 20 5 GGBDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173028775 1426315584 /nfs/dbraw/zinc/31/55/84/1426315584.db2.gz NZOYJAXXKBITCW-UHFFFAOYSA-N 0 3 377.391 3.006 20 5 GGBDHN COc1ccc([C@H](CNc2nc3sccn3c2[N+](=O)[O-])N(C)C)cc1OC ZINC000173085357 1426336018 /nfs/dbraw/zinc/33/60/18/1426336018.db2.gz BXCARKQEORUTTN-LBPRGKRZSA-N 0 3 391.453 3.036 20 5 GGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCCCN2CCN(c3ccccc3)CC2)c1 ZINC000173136854 1426359123 /nfs/dbraw/zinc/35/91/23/1426359123.db2.gz KEDVNROGPOVMLJ-UHFFFAOYSA-N 0 3 396.491 3.235 20 5 GGBDHN C[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(-n2cccn2)c1 ZINC000173202834 1426390919 /nfs/dbraw/zinc/39/09/19/1426390919.db2.gz SVEGUQSIKGJAMX-CABCVRRESA-N 0 3 379.420 3.458 20 5 GGBDHN COc1cc(C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000173514955 1426685108 /nfs/dbraw/zinc/68/51/08/1426685108.db2.gz LQTPSEGNEDALRB-MRXNPFEDSA-N 0 3 383.448 3.340 20 5 GGBDHN C[C@@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000173528886 1426703454 /nfs/dbraw/zinc/70/34/54/1426703454.db2.gz WDQSRVLIBGLQGX-QGZVFWFLSA-N 0 3 383.448 3.097 20 5 GGBDHN COc1cc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000173704366 1426826656 /nfs/dbraw/zinc/82/66/56/1426826656.db2.gz IOLSTFHWCQGNAC-SFHVURJKSA-N 0 3 383.448 3.340 20 5 GGBDHN CN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000173705778 1426827133 /nfs/dbraw/zinc/82/71/33/1426827133.db2.gz YTTCYSAQMJHUDL-QGZVFWFLSA-N 0 3 393.447 3.208 20 5 GGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(C(F)(F)F)CC1 ZINC000173770588 1426845702 /nfs/dbraw/zinc/84/57/02/1426845702.db2.gz FFHULRXNEDLWHS-UHFFFAOYSA-N 0 3 375.347 3.206 20 5 GGBDHN C[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(-n2cccn2)cc1 ZINC000174367951 1427123177 /nfs/dbraw/zinc/12/31/77/1427123177.db2.gz OFGAPYJMMSGOOB-CABCVRRESA-N 0 3 379.420 3.458 20 5 GGBDHN C[C@@H](N[C@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000174367972 1427123523 /nfs/dbraw/zinc/12/35/23/1427123523.db2.gz OFGAPYJMMSGOOB-HUUCEWRRSA-N 0 3 379.420 3.458 20 5 GGBDHN C[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(-n2cccn2)cc1 ZINC000174369058 1427124003 /nfs/dbraw/zinc/12/40/03/1427124003.db2.gz IJQPYSCEPVOBOQ-YWZLYKJASA-N 0 3 391.431 3.237 20 5 GGBDHN COc1cc(CNC[C@H]2CCC[C@@H](O)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000174428286 1427152164 /nfs/dbraw/zinc/15/21/64/1427152164.db2.gz APCFCSLJNVUARJ-WCQYABFASA-N 0 3 392.374 3.185 20 5 GGBDHN COc1cc(CNC[C@@H]2CCC[C@H](O)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000174428248 1427152301 /nfs/dbraw/zinc/15/23/01/1427152301.db2.gz APCFCSLJNVUARJ-YPMHNXCESA-N 0 3 392.374 3.185 20 5 GGBDHN NC(=O)COc1cccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 ZINC000174604418 1427255633 /nfs/dbraw/zinc/25/56/33/1427255633.db2.gz WYGWRMYCOTXTBA-UHFFFAOYSA-N 0 3 397.456 3.477 20 5 GGBDHN CN1CCC(N(Cc2ccccc2)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000175022468 1427504079 /nfs/dbraw/zinc/50/40/79/1427504079.db2.gz UQGCDQCMDNJOMN-UHFFFAOYSA-N 0 3 393.447 3.208 20 5 GGBDHN CN1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C2(CCCCC2)C1 ZINC000175062685 1427525759 /nfs/dbraw/zinc/52/57/59/1427525759.db2.gz YFSLNFZWKFACGP-UHFFFAOYSA-N 0 3 380.876 3.137 20 5 GGBDHN COC(=O)c1cc(NC(=O)c2oc3ccccc3c2CN(C)C)cc([N+](=O)[O-])c1 ZINC000175216546 1427607883 /nfs/dbraw/zinc/60/78/83/1427607883.db2.gz NYZIFAWBPCIMQK-UHFFFAOYSA-N 0 3 397.387 3.442 20 5 GGBDHN C[C@@H]1CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000175267814 1427635723 /nfs/dbraw/zinc/63/57/23/1427635723.db2.gz FSVZMPKPEUZZAQ-QGZVFWFLSA-N 0 3 382.464 3.401 20 5 GGBDHN Cc1ccc(NC(=O)NCc2ccccc2CN2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000175279984 1427644425 /nfs/dbraw/zinc/64/44/25/1427644425.db2.gz UWDPFAVLKVWOIM-UHFFFAOYSA-N 0 3 398.463 3.182 20 5 GGBDHN C[C@]1(O)CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000180199773 1429800057 /nfs/dbraw/zinc/80/00/57/1429800057.db2.gz SEYCFZAFLLZUEO-NRFANRHFSA-N 0 3 378.432 3.404 20 5 GGBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H](COc1ccccc1F)c1ccccc1 ZINC000180307673 1429832187 /nfs/dbraw/zinc/83/21/87/1429832187.db2.gz UPMNYNKTJCYISF-IBGZPJMESA-N 0 3 397.406 3.306 20 5 GGBDHN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000180399253 1429857020 /nfs/dbraw/zinc/85/70/20/1429857020.db2.gz KRCHYAGLCQXYFI-ABSDTBQOSA-N 0 3 396.491 3.025 20 5 GGBDHN CCOc1ccc([C@H](C)NCCNC(=O)c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000180425326 1429866374 /nfs/dbraw/zinc/86/63/74/1429866374.db2.gz ICAZDYUCWUPHEU-AWEZNQCLSA-N 0 3 387.436 3.083 20 5 GGBDHN CC(C)NS(=O)(=O)CCN[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000180477937 1429879094 /nfs/dbraw/zinc/87/90/94/1429879094.db2.gz KOQHFBFXJACVCE-ZDUSSCGKSA-N 0 3 397.522 3.302 20 5 GGBDHN CCOc1ccc([C@H](C)NCCNC(=O)c2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000180788092 1430041139 /nfs/dbraw/zinc/04/11/39/1430041139.db2.gz DUGQOJYOBZWBCI-LBPRGKRZSA-N 0 3 393.390 3.352 20 5 GGBDHN Cc1ccc(CN(CCO)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000180844825 1430066975 /nfs/dbraw/zinc/06/69/75/1430066975.db2.gz WJYKOMUKGLALGT-UHFFFAOYSA-N 0 3 380.448 3.298 20 5 GGBDHN Cc1cc(S(=O)(=O)N2C[C@@H]3CCCN3Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000180952123 1430131963 /nfs/dbraw/zinc/13/19/63/1430131963.db2.gz BSMFYKHJOUSZJR-INIZCTEOSA-N 0 3 387.461 3.077 20 5 GGBDHN CCc1nc2ccccc2n1C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000180962030 1430137986 /nfs/dbraw/zinc/13/79/86/1430137986.db2.gz POBLLEDTCYCJTA-UHFFFAOYSA-N 0 3 395.463 3.006 20 5 GGBDHN O=C(CN[C@@H](C[C@@H]1CCOC1)c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000181193497 1430244500 /nfs/dbraw/zinc/24/45/00/1430244500.db2.gz USUSSRHFDUBACN-JXFKEZNVSA-N 0 3 395.459 3.241 20 5 GGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181201868 1430246615 /nfs/dbraw/zinc/24/66/15/1430246615.db2.gz MKGGOSVSSAJBOT-KXBFYZLASA-N 0 3 399.447 3.299 20 5 GGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181201888 1430246732 /nfs/dbraw/zinc/24/67/32/1430246732.db2.gz MKGGOSVSSAJBOT-HNAYVOBHSA-N 0 3 399.447 3.299 20 5 GGBDHN CN(C(=O)CN[C@H](C[C@H]1CCOC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000181216493 1430249829 /nfs/dbraw/zinc/24/98/29/1430249829.db2.gz GCSNVPHXBPSDSV-OXQOHEQNSA-N 0 3 383.448 3.315 20 5 GGBDHN COc1ccc(NC(=O)CN[C@H](C[C@@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000181236898 1430254063 /nfs/dbraw/zinc/25/40/63/1430254063.db2.gz LNPZPEQOKRPRCT-HNAYVOBHSA-N 0 3 399.447 3.299 20 5 GGBDHN COc1ccc(OCCN[C@@H](C)c2cccc(N3CCCC3=O)c2)c([N+](=O)[O-])c1 ZINC000181411340 1430291239 /nfs/dbraw/zinc/29/12/39/1430291239.db2.gz AMTPTGQLHOYESN-HNNXBMFYSA-N 0 3 399.447 3.460 20 5 GGBDHN COc1cccc(C2CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000181647353 1430334408 /nfs/dbraw/zinc/33/44/08/1430334408.db2.gz YMTWRLIHJNVIRL-SFHVURJKSA-N 0 3 386.448 3.223 20 5 GGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(OCC2CCCC2)CC1 ZINC000181977916 1430391279 /nfs/dbraw/zinc/39/12/79/1430391279.db2.gz SOWOMZBQVZVQQJ-KRWDZBQOSA-N 0 3 378.469 3.006 20 5 GGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000182058013 1430403330 /nfs/dbraw/zinc/40/33/30/1430403330.db2.gz NRDAINNVWJBENU-HOTGVXAUSA-N 0 3 397.431 3.355 20 5 GGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000182160079 1430422177 /nfs/dbraw/zinc/42/21/77/1430422177.db2.gz LLTNGWOBWJEGTF-INIZCTEOSA-N 0 3 396.447 3.090 20 5 GGBDHN Cc1nc2c(s1)[C@@H](N(C)C[C@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC000182168587 1430423601 /nfs/dbraw/zinc/42/36/01/1430423601.db2.gz QXQSWMVRUPETKI-BBRMVZONSA-N 0 3 377.466 3.109 20 5 GGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(c2nc3ccccc3o2)CC1 ZINC000182174211 1430424506 /nfs/dbraw/zinc/42/45/06/1430424506.db2.gz SNZMYNVSDKOGPG-INIZCTEOSA-N 0 3 397.431 3.355 20 5 GGBDHN CN(Cc1cccc(C(F)(F)F)c1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182215291 1430431078 /nfs/dbraw/zinc/43/10/78/1430431078.db2.gz XLPPBPFJYZAEQY-HNNXBMFYSA-N 0 3 384.354 3.485 20 5 GGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN(Cc1ccccc1)C[C@H]1CCCO1 ZINC000182220729 1430431886 /nfs/dbraw/zinc/43/18/86/1430431886.db2.gz UORUJLIVLQPWPC-RBUKOAKNSA-N 0 3 386.448 3.016 20 5 GGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000182220707 1430432088 /nfs/dbraw/zinc/43/20/88/1430432088.db2.gz UORUJLIVLQPWPC-OALUTQOASA-N 0 3 386.448 3.016 20 5 GGBDHN CC[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1c(C)noc1C ZINC000182396890 1430459438 /nfs/dbraw/zinc/45/94/38/1430459438.db2.gz JMWRBAKIFCCUBL-AWEZNQCLSA-N 0 3 376.413 3.278 20 5 GGBDHN CC[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1c(C)noc1C ZINC000182396905 1430459555 /nfs/dbraw/zinc/45/95/55/1430459555.db2.gz JMWRBAKIFCCUBL-CQSZACIVSA-N 0 3 376.413 3.278 20 5 GGBDHN C[C@@H](C(=O)NCCCN1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000182629183 1430505201 /nfs/dbraw/zinc/50/52/01/1430505201.db2.gz WTKUPUNFFCPXRS-OAHLLOKOSA-N 0 3 385.439 3.402 20 5 GGBDHN CCOCCCNC(=O)C1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182650881 1430510460 /nfs/dbraw/zinc/51/04/60/1430510460.db2.gz NVTFVSHZNXMBJW-MRXNPFEDSA-N 0 3 377.485 3.219 20 5 GGBDHN CN(C)CCN(Cc1cccs1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000183094195 1430611078 /nfs/dbraw/zinc/61/10/78/1430611078.db2.gz ZIIDHUXWYDXRNZ-UHFFFAOYSA-N 0 3 399.419 3.462 20 5 GGBDHN COc1cc(CN(CCO)C2CCCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000183246385 1430658496 /nfs/dbraw/zinc/65/84/96/1430658496.db2.gz VBVKCPSORQKBLQ-UHFFFAOYSA-N 0 3 388.411 3.374 20 5 GGBDHN COC[C@H](N[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CC1 ZINC000183441943 1430712819 /nfs/dbraw/zinc/71/28/19/1430712819.db2.gz VYXJOSZQLJBIPD-NHYWBVRUSA-N 0 3 390.465 3.060 20 5 GGBDHN COC[C@@H](N[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CC1 ZINC000183441982 1430713067 /nfs/dbraw/zinc/71/30/67/1430713067.db2.gz VYXJOSZQLJBIPD-XHDPSFHLSA-N 0 3 390.465 3.060 20 5 GGBDHN CCN1CCN(c2ccc(NC(=O)Nc3ccncc3[N+](=O)[O-])c(C)c2)CC1 ZINC000183581424 1430746766 /nfs/dbraw/zinc/74/67/66/1430746766.db2.gz KQJRVZQMXBTVMT-UHFFFAOYSA-N 0 3 384.440 3.084 20 5 GGBDHN CCN(CC)[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000183588615 1430748616 /nfs/dbraw/zinc/74/86/16/1430748616.db2.gz JNNRMHJSWXEPOK-KRWDZBQOSA-N 0 3 387.440 3.203 20 5 GGBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000184073139 1430837515 /nfs/dbraw/zinc/83/75/15/1430837515.db2.gz RHJIMXSZVDERKV-WMZOPIPTSA-N 0 3 383.448 3.000 20 5 GGBDHN COc1cc(CN[C@@H](C)C[S@@](C)=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000184256495 1430863198 /nfs/dbraw/zinc/86/31/98/1430863198.db2.gz ZQJQPOGUHNUMPS-PGGUUEOZSA-N 0 3 392.477 3.039 20 5 GGBDHN C[C@H](C[S@](C)=O)NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000184266569 1430864975 /nfs/dbraw/zinc/86/49/75/1430864975.db2.gz HOXSSJMCEVWQKW-JMGYQRAPSA-N 0 3 398.488 3.304 20 5 GGBDHN CCN1CCN(c2cccc(NC(=O)Cc3cccc([N+](=O)[O-])c3C)c2)CC1 ZINC000184272337 1430865771 /nfs/dbraw/zinc/86/57/71/1430865771.db2.gz BDKOPUUPHXAWJW-UHFFFAOYSA-N 0 3 382.464 3.226 20 5 GGBDHN COc1cc(CN2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c([N+](=O)[O-])cc1F ZINC000184290902 1430868932 /nfs/dbraw/zinc/86/89/32/1430868932.db2.gz ZRIKXMNTVUJLDL-GFCCVEGCSA-N 0 3 375.404 3.118 20 5 GGBDHN COc1cc(CN2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c([N+](=O)[O-])cc1F ZINC000184290902 1430868933 /nfs/dbraw/zinc/86/89/33/1430868933.db2.gz ZRIKXMNTVUJLDL-GFCCVEGCSA-N 0 3 375.404 3.118 20 5 GGBDHN COc1ccccc1S(=O)(=O)CCCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000184311392 1430871874 /nfs/dbraw/zinc/87/18/74/1430871874.db2.gz YNZUOFTWOPNPCA-HNNXBMFYSA-N 0 3 392.477 3.426 20 5 GGBDHN CN(CCNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000184482121 1430892776 /nfs/dbraw/zinc/89/27/76/1430892776.db2.gz GHHOIAASNTYSQK-UHFFFAOYSA-N 0 3 376.844 3.179 20 5 GGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000184838313 1430999122 /nfs/dbraw/zinc/99/91/22/1430999122.db2.gz STOLWCMDXJMGNN-GOSISDBHSA-N 0 3 391.512 3.169 20 5 GGBDHN Cc1ccc(CN(CCN(C)C)C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)o1 ZINC000184918539 1431021175 /nfs/dbraw/zinc/02/11/75/1431021175.db2.gz QNMUOKOMHHYHJW-CQSZACIVSA-N 0 3 377.416 3.329 20 5 GGBDHN COc1cccc(N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000185532025 1431165440 /nfs/dbraw/zinc/16/54/40/1431165440.db2.gz YRDZIEARRYCDJI-HZPDHXFCSA-N 0 3 377.485 3.319 20 5 GGBDHN CCOc1ccc(NC(=O)CN[C@H](C)[C@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC000185631475 1431188939 /nfs/dbraw/zinc/18/89/39/1431188939.db2.gz JIHFCINSQRODOK-CZUORRHYSA-N 0 3 385.420 3.086 20 5 GGBDHN CN(C)[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000186016029 1431312018 /nfs/dbraw/zinc/31/20/18/1431312018.db2.gz WBOLGDFQGUMSLL-KRWDZBQOSA-N 0 3 376.844 3.350 20 5 GGBDHN CSc1cccc(C(=O)NCC2(N3CCSCC3)CCCC2)c1[N+](=O)[O-] ZINC000186141263 1431340379 /nfs/dbraw/zinc/34/03/79/1431340379.db2.gz USHZICXZTLWGKG-UHFFFAOYSA-N 0 3 395.550 3.408 20 5 GGBDHN CCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000186303913 1431376684 /nfs/dbraw/zinc/37/66/84/1431376684.db2.gz ARHLHFILNDGOSM-KRWDZBQOSA-N 0 3 397.431 3.060 20 5 GGBDHN Cc1c(NC(=O)CCN2CC[C@@]3(C2)OCc2ccccc23)cccc1[N+](=O)[O-] ZINC000186635482 1431475686 /nfs/dbraw/zinc/47/56/86/1431475686.db2.gz YRHWJEZDWMHFSO-NRFANRHFSA-N 0 3 381.432 3.363 20 5 GGBDHN CN(C)C1(CN(C)C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCC1 ZINC000187003149 1431587012 /nfs/dbraw/zinc/58/70/12/1431587012.db2.gz FGYQLLAJYPBLLE-UHFFFAOYSA-N 0 3 377.488 3.097 20 5 GGBDHN C[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@H](c1ccccc1)N(C)C ZINC000187213349 1431650671 /nfs/dbraw/zinc/65/06/71/1431650671.db2.gz YJLKZFXCTURQIU-FOIQADDNSA-N 0 3 393.447 3.202 20 5 GGBDHN COc1cc(CNC[C@H]2CC[C@@H](O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000188808531 1431983251 /nfs/dbraw/zinc/98/32/51/1431983251.db2.gz UBZMZAVWSQCGRA-FUHWJXTLSA-N 0 3 386.448 3.433 20 5 GGBDHN O=C(CCN1CCC(O)(c2ccccc2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000189584009 1432166503 /nfs/dbraw/zinc/16/65/03/1432166503.db2.gz RPTZEOKITTYIAV-UHFFFAOYSA-N 0 3 387.411 3.046 20 5 GGBDHN O=C(CCN1CC[C@]2(C1)OCc1ccccc12)Nc1cc([N+](=O)[O-])ccc1F ZINC000189587185 1432168474 /nfs/dbraw/zinc/16/84/74/1432168474.db2.gz RJHLOFUJNXPKKN-HXUWFJFHSA-N 0 3 385.395 3.194 20 5 GGBDHN COc1cc(CNC[C@]2(O)CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000189627158 1432183345 /nfs/dbraw/zinc/18/33/45/1432183345.db2.gz QMZDFNVXMLMJKO-LRDDRELGSA-N 0 3 392.374 3.185 20 5 GGBDHN COC(=O)c1cnc(NC[C@@H](c2cccs2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000190164523 1432331453 /nfs/dbraw/zinc/33/14/53/1432331453.db2.gz DFVOPFMIISSUHP-AWEZNQCLSA-N 0 3 376.438 3.087 20 5 GGBDHN CCN(CC)[C@@H](CNc1ncc(C(=O)OC)cc1[N+](=O)[O-])c1ccsc1 ZINC000190167491 1432331790 /nfs/dbraw/zinc/33/17/90/1432331790.db2.gz GOOQABCSDXSGCW-HNNXBMFYSA-N 0 3 378.454 3.333 20 5 GGBDHN Cc1c(NC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)cccc1[N+](=O)[O-] ZINC000190842510 1432504102 /nfs/dbraw/zinc/50/41/02/1432504102.db2.gz HYBQSPDRGPYZBL-SFHVURJKSA-N 0 3 398.463 3.316 20 5 GGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000190851325 1432507687 /nfs/dbraw/zinc/50/76/87/1432507687.db2.gz BKBRSUZNLBPUOH-IBGZPJMESA-N 0 3 398.463 3.316 20 5 GGBDHN COc1cc(CNC[C@](C)(Cc2ccccc2)[C@H](C)O)c([N+](=O)[O-])cc1OC ZINC000191714823 1432711999 /nfs/dbraw/zinc/71/19/99/1432711999.db2.gz IOLOKLGHOUACHD-BTYIYWSLSA-N 0 3 388.464 3.331 20 5 GGBDHN COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000192226832 1432819638 /nfs/dbraw/zinc/81/96/38/1432819638.db2.gz VAOBWVYQYRCXKZ-HXUWFJFHSA-N 0 3 385.464 3.444 20 5 GGBDHN COc1cccc(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000192468165 1432848528 /nfs/dbraw/zinc/84/85/28/1432848528.db2.gz WRZRKRYZBMLKCO-AWEZNQCLSA-N 0 3 389.477 3.307 20 5 GGBDHN O=C1[C@H](N[C@@H](C[C@@H]2CCOC2)c2ccccc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000192761087 1432886144 /nfs/dbraw/zinc/88/61/44/1432886144.db2.gz ZRCTWNCKYUXNIJ-DQLDELGASA-N 0 3 395.459 3.458 20 5 GGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H](O)COc1ccc(F)c(F)c1)CCC2 ZINC000192835758 1432896703 /nfs/dbraw/zinc/89/67/03/1432896703.db2.gz IKDKBZRALFGGTM-LIRRHRJNSA-N 0 3 378.375 3.280 20 5 GGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H](O)COc1ccc(F)c(F)c1)CCC2 ZINC000192835786 1432896825 /nfs/dbraw/zinc/89/68/25/1432896825.db2.gz IKDKBZRALFGGTM-KUHUBIRLSA-N 0 3 378.375 3.280 20 5 GGBDHN C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000192865792 1432900641 /nfs/dbraw/zinc/90/06/41/1432900641.db2.gz JVAYPUSDIALLMX-WBMJQRKESA-N 0 3 397.884 3.218 20 5 GGBDHN COc1ccc([C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C2CC2)cc1 ZINC000193344822 1432983069 /nfs/dbraw/zinc/98/30/69/1432983069.db2.gz DSLHQQQGYIBYGD-FQEVSTJZSA-N 0 3 385.420 3.291 20 5 GGBDHN COc1ccc([C@@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C2CC2)cc1 ZINC000193354108 1432984893 /nfs/dbraw/zinc/98/48/93/1432984893.db2.gz ICUQRHJMSUVNTE-NRFANRHFSA-N 0 3 381.432 3.233 20 5 GGBDHN CN(CCSCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccccc1 ZINC000193620118 1433030162 /nfs/dbraw/zinc/03/01/62/1433030162.db2.gz KHSJBHYKMUDLCP-UHFFFAOYSA-N 0 3 385.489 3.349 20 5 GGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CSCCN(C)Cc1ccccc1 ZINC000193623624 1433030376 /nfs/dbraw/zinc/03/03/76/1433030376.db2.gz QMMGYNLGTWMPIL-UHFFFAOYSA-N 0 3 389.477 3.407 20 5 GGBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000193826580 1433067678 /nfs/dbraw/zinc/06/76/78/1433067678.db2.gz VHAMWEIWMRUQQV-HXUWFJFHSA-N 0 3 382.464 3.274 20 5 GGBDHN CCN1CCN(c2ccc(NC(=O)c3cccc(OC)c3[N+](=O)[O-])c(C)c2)CC1 ZINC000193850208 1433072621 /nfs/dbraw/zinc/07/26/21/1433072621.db2.gz OHMMHEDBMPRSOG-UHFFFAOYSA-N 0 3 398.463 3.306 20 5 GGBDHN COc1cccc(C(=O)NCC2(N3CCSCC3)CCCCC2)c1[N+](=O)[O-] ZINC000194347257 1433165045 /nfs/dbraw/zinc/16/50/45/1433165045.db2.gz PESAKHGNKOUAQH-UHFFFAOYSA-N 0 3 393.509 3.085 20 5 GGBDHN COc1cccc(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000194360407 1433166880 /nfs/dbraw/zinc/16/68/80/1433166880.db2.gz DNGQQXKTSTXPNN-UHFFFAOYSA-N 0 3 383.448 3.340 20 5 GGBDHN CCN1CCN(Cc2ccc(NC(=O)c3c(C)cccc3[N+](=O)[O-])cc2)CC1 ZINC000194403434 1433172876 /nfs/dbraw/zinc/17/28/76/1433172876.db2.gz GBIPVBQWAUTFTJ-UHFFFAOYSA-N 0 3 382.464 3.293 20 5 GGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000194809222 1433237476 /nfs/dbraw/zinc/23/74/76/1433237476.db2.gz KPIQPODMJODGKR-IAGOWNOFSA-N 0 3 389.496 3.255 20 5 GGBDHN COc1ccc([C@@H](CNc2c3c(ccc2[N+](=O)[O-])NCC3)N(C)C)cc1OC ZINC000195174959 1433302982 /nfs/dbraw/zinc/30/29/82/1433302982.db2.gz OGWORCRPUSHOFO-QGZVFWFLSA-N 0 3 386.452 3.295 20 5 GGBDHN CCN1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(OC)c3)c(C)c2)CC1 ZINC000195227924 1433309562 /nfs/dbraw/zinc/30/95/62/1433309562.db2.gz GQFXPGDXQWZFCY-UHFFFAOYSA-N 0 3 398.463 3.306 20 5 GGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCC2(N3CCOCC3)CCCCC2)c1 ZINC000237818234 1433426117 /nfs/dbraw/zinc/42/61/17/1433426117.db2.gz WUOKDHFSXDFLED-UHFFFAOYSA-N 0 3 399.438 3.321 20 5 GGBDHN Cc1c(NC(=O)CCN2CCN(C)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000245682655 1433498769 /nfs/dbraw/zinc/49/87/69/1433498769.db2.gz KHTHUFPPHXYJJQ-FQEVSTJZSA-N 0 3 382.464 3.221 20 5 GGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C)C[C@H]1c1ccccc1 ZINC000245727732 1433506564 /nfs/dbraw/zinc/50/65/64/1433506564.db2.gz SIBDAJZLEIOHCX-FQEVSTJZSA-N 0 3 382.464 3.221 20 5 GGBDHN COc1ccc(OCCN2CCC[C@H]2C[C@@H](O)c2ccco2)c([N+](=O)[O-])c1 ZINC000246568619 1433632355 /nfs/dbraw/zinc/63/23/55/1433632355.db2.gz KYEKEEYXTKLDKW-WMLDXEAASA-N 0 3 376.409 3.163 20 5 GGBDHN COc1ccc(OCCN2CCC[C@@H]2C[C@@H](O)c2ccco2)c([N+](=O)[O-])c1 ZINC000246568614 1433632370 /nfs/dbraw/zinc/63/23/70/1433632370.db2.gz KYEKEEYXTKLDKW-RHSMWYFYSA-N 0 3 376.409 3.163 20 5 GGBDHN CCOC(=O)c1ccnc(N2CCCN(Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000246889332 1433683168 /nfs/dbraw/zinc/68/31/68/1433683168.db2.gz GJPZTVSUKPQMLV-MRXNPFEDSA-N 0 3 398.463 3.267 20 5 GGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000248459477 1433804663 /nfs/dbraw/zinc/80/46/63/1433804663.db2.gz NRDAINNVWJBENU-JKSUJKDBSA-N 0 3 397.431 3.355 20 5 GGBDHN COc1cc(CN2CC[C@@H](O)[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000250142432 1433854804 /nfs/dbraw/zinc/85/48/04/1433854804.db2.gz ZGEMIKISANKVDJ-DNVCBOLYSA-N 0 3 386.448 3.385 20 5 GGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN(Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000255036231 1433874754 /nfs/dbraw/zinc/87/47/54/1433874754.db2.gz HTMJYGLXPIAMCT-FUHWJXTLSA-N 0 3 392.477 3.077 20 5 GGBDHN C[C@H]1CN(CC2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000263848815 1434041411 /nfs/dbraw/zinc/04/14/11/1434041411.db2.gz YBMVMJBDSJIVIM-KBPBESRZSA-N 0 3 395.887 3.210 20 5 GGBDHN CN(C)C(=O)[C@@H]1CCC[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000265180318 1434195107 /nfs/dbraw/zinc/19/51/07/1434195107.db2.gz MYZTVRRFPACBMS-HUUCEWRRSA-N 0 3 388.493 3.455 20 5 GGBDHN CCN1CCN(CCC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000265314885 1434217220 /nfs/dbraw/zinc/21/72/20/1434217220.db2.gz JMYAALPWOUUQSR-UHFFFAOYSA-N 0 3 398.463 3.353 20 5 GGBDHN COc1cc(CN[C@@H](CCO)C(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000266183388 1434309129 /nfs/dbraw/zinc/30/91/29/1434309129.db2.gz WEKUMTHGLHAOBF-LBPRGKRZSA-N 0 3 380.363 3.041 20 5 GGBDHN COc1cc(CN[C@H](CCO)C(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000266183385 1434309132 /nfs/dbraw/zinc/30/91/32/1434309132.db2.gz WEKUMTHGLHAOBF-GFCCVEGCSA-N 0 3 380.363 3.041 20 5 GGBDHN COc1cc(CNCC(C)(C)C[C@@H](C)O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000266184812 1434309141 /nfs/dbraw/zinc/30/91/41/1434309141.db2.gz WPNIBBVEVXBMKM-LLVKDONJSA-N 0 3 394.390 3.431 20 5 GGBDHN CCC[C@@H](CCO)CNCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000266273181 1434315363 /nfs/dbraw/zinc/31/53/63/1434315363.db2.gz CMYTXPGAYBTRNQ-LBPRGKRZSA-N 0 3 394.390 3.433 20 5 GGBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000267019843 1434399388 /nfs/dbraw/zinc/39/93/88/1434399388.db2.gz CADKZKMGVGVYHU-ZDUSSCGKSA-N 0 3 395.419 3.197 20 5 GGBDHN CC[C@@H](CCO)CNCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000268005150 1434486277 /nfs/dbraw/zinc/48/62/77/1434486277.db2.gz CGWQWMOBHKPGDD-NSHDSACASA-N 0 3 380.363 3.043 20 5 GGBDHN CN(C)CCN(Cc1ccco1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268105002 1434494821 /nfs/dbraw/zinc/49/48/21/1434494821.db2.gz FNGWPXDTTYEYHC-UHFFFAOYSA-N 0 3 380.832 3.115 20 5 GGBDHN COc1cccc(OC)c1OC[C@H](O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000268831543 1434562303 /nfs/dbraw/zinc/56/23/03/1434562303.db2.gz KNNXFXRSVAWMPB-GDBMZVCRSA-N 0 3 390.436 3.011 20 5 GGBDHN Cc1c([C@H](C)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)cccc1[N+](=O)[O-] ZINC000268834250 1434562627 /nfs/dbraw/zinc/56/26/27/1434562627.db2.gz RVUAYNAFVVLLEG-KRWDZBQOSA-N 0 3 396.491 3.142 20 5 GGBDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268938060 1434572944 /nfs/dbraw/zinc/57/29/44/1434572944.db2.gz ZGOOPBMBQCQLOV-KUHUBIRLSA-N 0 3 380.448 3.392 20 5 GGBDHN CC(C)c1n[nH]c(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000269458553 1434649170 /nfs/dbraw/zinc/64/91/70/1434649170.db2.gz SCFQZGNNYVODKJ-ZDUSSCGKSA-N 0 3 391.497 3.145 20 5 GGBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)c1 ZINC000269623118 1434664446 /nfs/dbraw/zinc/66/44/46/1434664446.db2.gz BNUGFFXCWVCKOK-IBGZPJMESA-N 0 3 393.447 3.293 20 5 GGBDHN COc1cc([C@@H](C)NC[C@@H](O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC ZINC000269692286 1434669564 /nfs/dbraw/zinc/66/95/64/1434669564.db2.gz VKLZTFUJIHJDCE-MLGOLLRUSA-N 0 3 376.409 3.005 20 5 GGBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000270775938 1434773626 /nfs/dbraw/zinc/77/36/26/1434773626.db2.gz NCNFXMPOXMCBJH-INIZCTEOSA-N 0 3 393.509 3.034 20 5 GGBDHN CCOc1ccc([C@@H](C)NCc2ccccc2Cn2cncn2)cc1[N+](=O)[O-] ZINC000271111760 1434802558 /nfs/dbraw/zinc/80/25/58/1434802558.db2.gz HLLSHIAYLFQRNN-OAHLLOKOSA-N 0 3 381.436 3.484 20 5 GGBDHN CC(C)OCCOC[C@H](O)CN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000271112455 1434802612 /nfs/dbraw/zinc/80/26/12/1434802612.db2.gz ADPNTPWFGRHUME-GOSISDBHSA-N 0 3 392.452 3.089 20 5 GGBDHN CN1CCC(N(Cc2ccco2)C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272113540 1434872979 /nfs/dbraw/zinc/87/29/79/1434872979.db2.gz PHWVJYORLPECGR-UHFFFAOYSA-N 0 3 393.390 3.403 20 5 GGBDHN COc1cc(CNCCc2csc(C)n2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272366167 1434890832 /nfs/dbraw/zinc/89/08/32/1434890832.db2.gz FXVZKSYOLDJAOS-UHFFFAOYSA-N 0 3 387.408 3.345 20 5 GGBDHN COc1cc(CNC[C@@H](CO)c2ccccc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272465986 1434898163 /nfs/dbraw/zinc/89/81/63/1434898163.db2.gz RIQWHNSMUJPHJP-HNNXBMFYSA-N 0 3 396.390 3.113 20 5 GGBDHN CCC[C@H](CCO)CNCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272482959 1434899367 /nfs/dbraw/zinc/89/93/67/1434899367.db2.gz SXXKMVPEMZSQFD-GFCCVEGCSA-N 0 3 376.400 3.136 20 5 GGBDHN COc1cc(CN2CCC[C@]2(C)CCCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000272598114 1434912986 /nfs/dbraw/zinc/91/29/86/1434912986.db2.gz OGTIXKYQGGTRTL-GOSISDBHSA-N 0 3 388.411 3.374 20 5 GGBDHN CCOC(CCNCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])OCC ZINC000276176407 1435195734 /nfs/dbraw/zinc/19/57/34/1435195734.db2.gz KBLLFJKXFNWFRX-UHFFFAOYSA-N 0 3 392.399 3.126 20 5 GGBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000277032347 1435254046 /nfs/dbraw/zinc/25/40/46/1435254046.db2.gz GPORBGKJTUDRKM-UHFFFAOYSA-N 0 3 383.448 3.340 20 5 GGBDHN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000277218873 1435280301 /nfs/dbraw/zinc/28/03/01/1435280301.db2.gz WFSZWCTUSMTTMH-UHFFFAOYSA-N 0 3 399.447 3.060 20 5 GGBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@H]21 ZINC000277559983 1435312828 /nfs/dbraw/zinc/31/28/28/1435312828.db2.gz JWCJPLAONBIVKM-IEBWSBKVSA-N 0 3 381.432 3.360 20 5 GGBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N(Cc2ccco2)C2CCN(C)CC2)c1F ZINC000277814421 1435332995 /nfs/dbraw/zinc/33/29/95/1435332995.db2.gz WNSAAXBYDZNBBO-UHFFFAOYSA-N 0 3 375.400 3.372 20 5 GGBDHN CCNC(=O)COc1cccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000278178644 1435367012 /nfs/dbraw/zinc/36/70/12/1435367012.db2.gz DGJSIGJDLXVCAF-HXUWFJFHSA-N 0 3 383.448 3.277 20 5 GGBDHN C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1=CCN(C)CC1 ZINC000278767723 1435421690 /nfs/dbraw/zinc/42/16/90/1435421690.db2.gz UGNZEWYRUVVPSI-LLVKDONJSA-N 0 3 386.374 3.063 20 5 GGBDHN CN1CCN(c2cc(CN[C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)ccn2)CC1 ZINC000279031671 1435454124 /nfs/dbraw/zinc/45/41/24/1435454124.db2.gz INFPDPGBVOJVCW-FQEVSTJZSA-N 0 3 395.507 3.254 20 5 GGBDHN CN1C[C@@H]2CN(C(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)C[C@@H]2C1 ZINC000279188595 1435468953 /nfs/dbraw/zinc/46/89/53/1435468953.db2.gz JSFQQHCBRFZPBD-TXEJJXNPSA-N 0 3 383.398 3.005 20 5 GGBDHN C[C@@H]1OCC[C@]12CN(CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)C[C@@H](C)O2 ZINC000279787397 1435543088 /nfs/dbraw/zinc/54/30/88/1435543088.db2.gz OALHQKCJIIKVJM-SIFCLUCFSA-N 0 3 387.436 3.061 20 5 GGBDHN CC1(C)CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@]2(CCOC2)O1 ZINC000280524069 1435673260 /nfs/dbraw/zinc/67/32/60/1435673260.db2.gz OKWFRNSBUOENPZ-FQEVSTJZSA-N 0 3 387.436 3.062 20 5 GGBDHN Cc1ccc([C@H](NCCc2ccc([N+](=O)[O-])cc2)[C@H](C)S(C)(=O)=O)cc1 ZINC000280689883 1435704377 /nfs/dbraw/zinc/70/43/77/1435704377.db2.gz BBJWLMNQWODLDQ-HNAYVOBHSA-N 0 3 376.478 3.210 20 5 GGBDHN O=[N+]([O-])c1cc(CN2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c2c(c1)COCO2 ZINC000280716071 1435708356 /nfs/dbraw/zinc/70/83/56/1435708356.db2.gz BTZITNDWSLXJLP-OTWHNJEPSA-N 0 3 376.453 3.367 20 5 GGBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000281561061 1435813508 /nfs/dbraw/zinc/81/35/08/1435813508.db2.gz YFANBBRJZMLRNU-YEAFQPLXSA-N 0 3 375.469 3.183 20 5 GGBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000281989715 1435829963 /nfs/dbraw/zinc/82/99/63/1435829963.db2.gz PMGYQYZMIAMGRM-UHFFFAOYSA-N 0 3 394.472 3.004 20 5 GGBDHN Cc1ccc([C@H](C)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000284812545 1436052449 /nfs/dbraw/zinc/05/24/49/1436052449.db2.gz LMIGDJMUDUJCSG-AVBTWRTFSA-N 0 3 397.479 3.182 20 5 GGBDHN O=[N+]([O-])c1ccc2ccc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)nc2c1 ZINC001164725423 720365764 /nfs/dbraw/zinc/36/57/64/720365764.db2.gz NHXFDWPAWTYJCB-WOJBJXKFSA-N 0 3 375.432 3.391 20 5 GGBDHN O=[N+]([O-])c1cnc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c2ccccc21 ZINC001164726981 720374378 /nfs/dbraw/zinc/37/43/78/720374378.db2.gz QAOUONJCMRSQMT-RBUKOAKNSA-N 0 3 375.432 3.391 20 5 GGBDHN O=[N+]([O-])c1cccc2ccc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)nc21 ZINC001164727771 720376325 /nfs/dbraw/zinc/37/63/25/720376325.db2.gz RJHLVMZPYVMZOB-ROUUACIJSA-N 0 3 375.432 3.391 20 5 GGBDHN O=[N+]([O-])c1cccc2nc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)ccc21 ZINC001164729756 720376643 /nfs/dbraw/zinc/37/66/43/720376643.db2.gz WBTDAWBZKYCELH-PMACEKPBSA-N 0 3 375.432 3.391 20 5 GGBDHN O=[N+]([O-])c1cccc2nc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)ccc21 ZINC001164729758 720377136 /nfs/dbraw/zinc/37/71/36/720377136.db2.gz WBTDAWBZKYCELH-VQTJNVASSA-N 0 3 375.432 3.391 20 5 GGBDHN O=[N+]([O-])c1cccc2nc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)ccc21 ZINC001164729757 720377428 /nfs/dbraw/zinc/37/74/28/720377428.db2.gz WBTDAWBZKYCELH-UXHICEINSA-N 0 3 375.432 3.391 20 5 GGBDHN Cn1cc(CN2CC[C@@H]3CN(c4ccc5ccc6cccnc6c5n4)C[C@@H]3C2)cn1 ZINC001164770384 721096428 /nfs/dbraw/zinc/09/64/28/721096428.db2.gz PVQNVGDMNHSFSR-RTWAWAEBSA-N 0 3 398.514 3.475 20 5 GGBDHN O=[N+]([O-])c1cc(Cl)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164899057 721510769 /nfs/dbraw/zinc/51/07/69/721510769.db2.gz JUHSVVUHHLJTLO-GDBMZVCRSA-N 0 3 392.818 3.124 20 5 GGBDHN O=[N+]([O-])c1cc(Cl)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164899058 721511207 /nfs/dbraw/zinc/51/12/07/721511207.db2.gz JUHSVVUHHLJTLO-GOEBONIOSA-N 0 3 392.818 3.124 20 5 GGBDHN O=[N+]([O-])c1cc(Cl)cc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164905239 721526929 /nfs/dbraw/zinc/52/69/29/721526929.db2.gz HDNTUIXHYNHLTC-ZBFHGGJFSA-N 0 3 392.818 3.124 20 5 GGBDHN CC(C)[C@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])N1CCCCCC1 ZINC000012545868 204422057 /nfs/dbraw/zinc/42/20/57/204422057.db2.gz SJMYEDBFBUWZFN-SFHVURJKSA-N 0 3 383.514 3.311 20 5 GGBDHN C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000052620260 205133218 /nfs/dbraw/zinc/13/32/18/205133218.db2.gz AOWSHKSCOCMIOV-KRWDZBQOSA-N 0 3 398.463 3.294 20 5 GGBDHN C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000052620257 205133899 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5 GGBDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000121577071 564375925 /nfs/dbraw/zinc/37/59/25/564375925.db2.gz IDBFHOQBRRHSFP-NSHDSACASA-N 0 3 382.258 3.104 20 5 GGBDHN Cc1c(Br)cc(C(=O)N(C)CC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000121839817 564388311 /nfs/dbraw/zinc/38/83/11/564388311.db2.gz ZICUPDHCZVUMBX-UHFFFAOYSA-N 0 3 384.274 3.080 20 5 GGBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000123776459 564461495 /nfs/dbraw/zinc/46/14/95/564461495.db2.gz QNGKSIYEDQEBOU-KGLIPLIRSA-N 0 3 382.258 3.056 20 5 GGBDHN Cc1c(Br)cc(C(=O)N(C)C[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000123966443 564467427 /nfs/dbraw/zinc/46/74/27/564467427.db2.gz BNOJCSFJKBNLFZ-LBPRGKRZSA-N 0 3 384.274 3.080 20 5 GGBDHN Cc1c(Br)cc(C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000125086759 564502508 /nfs/dbraw/zinc/50/25/08/564502508.db2.gz AUYCAPKSURGLPF-HZMBPMFUSA-N 0 3 384.274 3.078 20 5 GGBDHN COC[C@](C)(O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000069912476 564847194 /nfs/dbraw/zinc/84/71/94/564847194.db2.gz AOOGBZQGFOIHLJ-MRXNPFEDSA-N 0 3 399.241 3.104 20 5 GGBDHN C[C@H]1C[C@H](Nc2ccc(I)cc2[N+](=O)[O-])CCN1C ZINC000097635712 564909364 /nfs/dbraw/zinc/90/93/64/564909364.db2.gz IYBHEEIKIATDLX-GXSJLCMTSA-N 0 3 375.210 3.094 20 5 GGBDHN O=C(NCCCNCc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000102429050 564930309 /nfs/dbraw/zinc/93/03/09/564930309.db2.gz XVSBZLYVQSLNFV-UHFFFAOYSA-N 0 3 392.253 3.267 20 5 GGBDHN COC[C@@H](O)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000153784155 565010761 /nfs/dbraw/zinc/01/07/61/565010761.db2.gz PECJNANKSKCGDK-LBPRGKRZSA-N 0 3 399.241 3.104 20 5 GGBDHN CN(C)Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000154879669 565055716 /nfs/dbraw/zinc/05/57/16/565055716.db2.gz VYDHOAGKBCRZTA-UHFFFAOYSA-N 0 3 392.253 3.349 20 5 GGBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C2 ZINC000155108211 565061898 /nfs/dbraw/zinc/06/18/98/565061898.db2.gz DUNARSZUJUXPEK-NWDGAFQWSA-N 0 3 383.246 3.058 20 5 GGBDHN C[C@H](CN1CCCCC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267983366 565136743 /nfs/dbraw/zinc/13/67/43/565136743.db2.gz YIWVSZAYMNBNIS-SNVBAGLBSA-N 0 3 388.237 3.101 20 5 GGBDHN C[C@@H](NC[C@H]1CCS(=O)(=O)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000268723854 565165612 /nfs/dbraw/zinc/16/56/12/565165612.db2.gz AEHVCDBJXNRQJN-CHWSQXEVSA-N 0 3 380.491 3.409 20 5 GGBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000272168162 565279799 /nfs/dbraw/zinc/27/97/99/565279799.db2.gz IVGUFAYWDUBIOT-NSHDSACASA-N 0 3 384.274 3.160 20 5 GGBDHN Cc1c(Br)cc(C(=O)N[C@@H](C)C2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000272787401 565296941 /nfs/dbraw/zinc/29/69/41/565296941.db2.gz SPODNQYXGWVFEP-NSHDSACASA-N 0 3 382.258 3.046 20 5 GGBDHN CCC[C@@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000187785580 565354706 /nfs/dbraw/zinc/35/47/06/565354706.db2.gz JQHNGWJRVOFLJW-CQSZACIVSA-N 0 3 383.495 3.066 20 5 GGBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000275555230 565417594 /nfs/dbraw/zinc/41/75/94/565417594.db2.gz CSWKUWOBLBYIBN-RYUDHWBXSA-N 0 3 380.388 3.079 20 5 GGBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000275555227 565417781 /nfs/dbraw/zinc/41/77/81/565417781.db2.gz CSWKUWOBLBYIBN-NWDGAFQWSA-N 0 3 380.388 3.079 20 5 GGBDHN CCN1CCN(C[C@H](C)CNc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301158136 565468458 /nfs/dbraw/zinc/46/84/58/565468458.db2.gz OEYVWQJYHLGLJS-CYBMUJFWSA-N 0 3 385.306 3.043 20 5 GGBDHN C[C@@H]1CN(CCCCNc2ncc([N+](=O)[O-])cc2Br)C[C@H](C)O1 ZINC000301659639 565501864 /nfs/dbraw/zinc/50/18/64/565501864.db2.gz TWCCLMITUKVXIG-TXEJJXNPSA-N 0 3 387.278 3.054 20 5 GGBDHN C[C@@H]1CN(CCCCNc2ncc(Br)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000301661711 565503015 /nfs/dbraw/zinc/50/30/15/565503015.db2.gz KCTKTEIBGVNAAZ-VXGBXAGGSA-N 0 3 387.278 3.054 20 5 GGBDHN CC(C)OCCN1CCC(Nc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301690207 565504415 /nfs/dbraw/zinc/50/44/15/565504415.db2.gz NHZVDZZTCJGNPJ-UHFFFAOYSA-N 0 3 387.278 3.054 20 5 GGBDHN CN(C)[C@@H](CNc1c(Br)cncc1[N+](=O)[O-])Cc1ccccc1 ZINC000301825789 565511773 /nfs/dbraw/zinc/51/17/73/565511773.db2.gz DWXPREKBZIUBLU-CYBMUJFWSA-N 0 3 379.258 3.337 20 5 GGBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000277982394 565532195 /nfs/dbraw/zinc/53/21/95/565532195.db2.gz ACKHTMLQLQRODL-VIFPVBQESA-N 0 3 390.303 3.221 20 5 GGBDHN Cc1cc(N2CCN(c3ccncc3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302628559 565547454 /nfs/dbraw/zinc/54/74/54/565547454.db2.gz BRGAENGGSWAVLR-UHFFFAOYSA-N 0 3 377.242 3.387 20 5 GGBDHN CCN1CCN(C[C@@H](C)CNc2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000302609279 565547663 /nfs/dbraw/zinc/54/76/63/565547663.db2.gz BGXPYMBALFFIEZ-ZDUSSCGKSA-N 0 3 385.306 3.043 20 5 GGBDHN CCN1CCN(C[C@@H](C)CNc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000302709979 565550745 /nfs/dbraw/zinc/55/07/45/565550745.db2.gz ZDVWMUMJCFYEGZ-ZDUSSCGKSA-N 0 3 385.306 3.043 20 5 GGBDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000278823798 565579940 /nfs/dbraw/zinc/57/99/40/565579940.db2.gz YGLRCMFHCPCKOJ-CYBMUJFWSA-N 0 3 398.301 3.042 20 5 GGBDHN [NH3+]CCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000327874777 565633364 /nfs/dbraw/zinc/63/33/64/565633364.db2.gz XYKFBEWBCBVXEY-AWEZNQCLSA-N 0 3 383.857 3.007 20 5 GGBDHN CN(CCn1cc([N+](=O)[O-])cn1)CC1(c2ccc(Br)cc2)CC1 ZINC000174872913 565664361 /nfs/dbraw/zinc/66/43/61/565664361.db2.gz GMGXPSZFTLBJFG-UHFFFAOYSA-N 0 3 379.258 3.217 20 5 GGBDHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000330463188 565707427 /nfs/dbraw/zinc/70/74/27/565707427.db2.gz CEUOZPRSVLANDO-GFCCVEGCSA-N 0 3 384.274 3.222 20 5 GGBDHN CCN1CCC(N(C)C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CC1 ZINC000330467184 565707726 /nfs/dbraw/zinc/70/77/26/565707726.db2.gz IUXNKWYMQUZVKD-UHFFFAOYSA-N 0 3 384.274 3.222 20 5 GGBDHN CN(Cc1ccc(Br)cc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193315974 565744307 /nfs/dbraw/zinc/74/43/07/565744307.db2.gz AVGLDTOHPZQHCB-OAHLLOKOSA-N 0 3 395.253 3.229 20 5 GGBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000331517934 565764003 /nfs/dbraw/zinc/76/40/03/565764003.db2.gz DQHJRWCNHFODCI-GXTWGEPZSA-N 0 3 383.901 3.426 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000331530361 565765553 /nfs/dbraw/zinc/76/55/53/565765553.db2.gz PEJOPCBVNCJXAL-MWLCHTKSSA-N 0 3 382.258 3.021 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)CC1CCN(C)CC1 ZINC000283275463 565813984 /nfs/dbraw/zinc/81/39/84/565813984.db2.gz BCSUNTRRNONSSB-UHFFFAOYSA-N 0 3 384.274 3.080 20 5 GGBDHN CN(C)Cc1cccc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000176947488 565817567 /nfs/dbraw/zinc/81/75/67/565817567.db2.gz JRXGBQXSICAZMV-UHFFFAOYSA-N 0 3 392.253 3.349 20 5 GGBDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177026673 565824049 /nfs/dbraw/zinc/82/40/49/565824049.db2.gz PREDRLWEQMGKDG-JHJVBQTASA-N 0 3 398.301 3.454 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000332368318 565832200 /nfs/dbraw/zinc/83/22/00/565832200.db2.gz WEBWXVAUUQKMPX-ZDUSSCGKSA-N 0 3 396.285 3.366 20 5 GGBDHN CC[C@@H]1CCCCN1CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177286784 565841515 /nfs/dbraw/zinc/84/15/15/565841515.db2.gz VZXJCRHACMYZBO-CYBMUJFWSA-N 0 3 384.274 3.352 20 5 GGBDHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000332597142 565846139 /nfs/dbraw/zinc/84/61/39/565846139.db2.gz PPCMDSXOSHIRGQ-STQMWFEESA-N 0 3 396.285 3.365 20 5 GGBDHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000332595748 565846319 /nfs/dbraw/zinc/84/63/19/565846319.db2.gz GQMLTZGJCUSYAB-OLZOCXBDSA-N 0 3 382.258 3.056 20 5 GGBDHN CS(=O)(=O)[C@@H]1CCC[C@@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000285200560 565893998 /nfs/dbraw/zinc/89/39/98/565893998.db2.gz OBUMZRXWANQCKG-TZMCWYRMSA-N 0 3 380.388 3.059 20 5 GGBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCC1(CS(C)(=O)=O)CCC1 ZINC000414331868 565911859 /nfs/dbraw/zinc/91/18/59/565911859.db2.gz RCLFPZUBJUKPBN-AWEZNQCLSA-N 0 3 386.539 3.270 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000285821691 565928232 /nfs/dbraw/zinc/92/82/32/565928232.db2.gz ZKEOIHHRSXVGLT-GFCCVEGCSA-N 0 3 398.301 3.468 20 5 GGBDHN C[C@H](NCCNC(=O)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178648635 565931330 /nfs/dbraw/zinc/93/13/30/565931330.db2.gz BXURMKHPRPCROO-LBPRGKRZSA-N 0 3 392.253 3.438 20 5 GGBDHN C[C@@H](NCCNC(=O)c1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178652344 565931594 /nfs/dbraw/zinc/93/15/94/565931594.db2.gz MGLQMKQSXURLER-GFCCVEGCSA-N 0 3 392.253 3.438 20 5 GGBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000285939131 565934230 /nfs/dbraw/zinc/93/42/30/565934230.db2.gz USQYELDLJUCPBO-XHDPSFHLSA-N 0 3 382.258 3.056 20 5 GGBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000285979208 565935805 /nfs/dbraw/zinc/93/58/05/565935805.db2.gz XAPPNSPCRLLCTE-WCQYABFASA-N 0 3 382.258 3.056 20 5 GGBDHN C[C@H]1C[C@H](NCc2cc(I)cc([N+](=O)[O-])c2)CS1 ZINC000414496829 565942460 /nfs/dbraw/zinc/94/24/60/565942460.db2.gz JDSOLBFJFUUAOO-KWQFWETISA-N 0 3 378.235 3.183 20 5 GGBDHN C[C@H]1C[C@@H](NCc2cc(I)cc([N+](=O)[O-])c2)CS1 ZINC000414496826 565942881 /nfs/dbraw/zinc/94/28/81/565942881.db2.gz JDSOLBFJFUUAOO-GZMMTYOYSA-N 0 3 378.235 3.183 20 5 GGBDHN C[C@@H]1C[C@@H](NCc2cc(I)cc([N+](=O)[O-])c2)CS1 ZINC000414496832 565943127 /nfs/dbraw/zinc/94/31/27/565943127.db2.gz JDSOLBFJFUUAOO-LDYMZIIASA-N 0 3 378.235 3.183 20 5 GGBDHN O=c1ccc([N+](=O)[O-])cn1CCNC1(c2ccc(Br)cc2)CCC1 ZINC000179223549 565967325 /nfs/dbraw/zinc/96/73/25/565967325.db2.gz SVZOGEGQVOTGJZ-UHFFFAOYSA-N 0 3 392.253 3.188 20 5 GGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3CCS(=O)(=O)C3)o2)c(Cl)c1 ZINC000237816353 565971079 /nfs/dbraw/zinc/97/10/79/565971079.db2.gz YOPPMKQVGZDBCZ-LLVKDONJSA-N 0 3 384.841 3.033 20 5 GGBDHN CN(CCCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000179566017 565990512 /nfs/dbraw/zinc/99/05/12/565990512.db2.gz POPIQCSKVFRDAS-UHFFFAOYSA-N 0 3 375.516 3.126 20 5 GGBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000246156478 566018762 /nfs/dbraw/zinc/01/87/62/566018762.db2.gz IFMKNVXAWQGACI-STQMWFEESA-N 0 3 398.301 3.136 20 5 GGBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000246400820 566027943 /nfs/dbraw/zinc/02/79/43/566027943.db2.gz ALDYSCUOIGBHKX-NEPJUHHUSA-N 0 3 384.274 3.208 20 5 GGBDHN C[C@H](NC[C@@H](O)COc1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000180393224 566060318 /nfs/dbraw/zinc/06/03/18/566060318.db2.gz BRILQCXBVQZAEC-BLLLJJGKSA-N 0 3 395.253 3.448 20 5 GGBDHN C[C@@H](NC[C@H](O)COc1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000180393209 566060421 /nfs/dbraw/zinc/06/04/21/566060421.db2.gz BRILQCXBVQZAEC-WBMJQRKESA-N 0 3 395.253 3.448 20 5 GGBDHN C[C@H](NC[C@H](O)COc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180434462 566062331 /nfs/dbraw/zinc/06/23/31/566062331.db2.gz ZMDJCDOADFHJOZ-LRDDRELGSA-N 0 3 395.253 3.448 20 5 GGBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000248372633 566076024 /nfs/dbraw/zinc/07/60/24/566076024.db2.gz BDOJAFRRZWKKPJ-JSGCOSHPSA-N 0 3 383.901 3.283 20 5 GGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCCOCCO)o2)c(Br)c1 ZINC000181221000 566125254 /nfs/dbraw/zinc/12/52/54/566125254.db2.gz XXKOYHHLWCGCGO-UHFFFAOYSA-N 0 3 399.241 3.106 20 5 GGBDHN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1cccs1 ZINC000417344053 566147670 /nfs/dbraw/zinc/14/76/70/566147670.db2.gz PKXJQZFULPXFLA-VBNZEHGJSA-N 0 3 380.491 3.212 20 5 GGBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000290540159 566177807 /nfs/dbraw/zinc/17/78/07/566177807.db2.gz OMVBSCYYFKZVJR-NEPJUHHUSA-N 0 3 382.258 3.056 20 5 GGBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000290540202 566178355 /nfs/dbraw/zinc/17/83/55/566178355.db2.gz OMVBSCYYFKZVJR-VXGBXAGGSA-N 0 3 382.258 3.056 20 5 GGBDHN COCCOCCOCCCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290877685 566193358 /nfs/dbraw/zinc/19/33/58/566193358.db2.gz LUKNUDAGFKVIFV-UHFFFAOYSA-N 0 3 381.256 3.061 20 5 GGBDHN CNC(=O)CCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000263833328 566197160 /nfs/dbraw/zinc/19/71/60/566197160.db2.gz WCBLSDBFXBKGIP-UHFFFAOYSA-N 0 3 396.241 3.233 20 5 GGBDHN COCCCCN(C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000418140080 566200383 /nfs/dbraw/zinc/20/03/83/566200383.db2.gz FJIQOQYYMOXOCE-UHFFFAOYSA-N 0 3 378.210 3.058 20 5 GGBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000183041837 566236776 /nfs/dbraw/zinc/23/67/76/566236776.db2.gz SXRHUEBMOOYJGN-KGLIPLIRSA-N 0 3 383.901 3.426 20 5 GGBDHN O=[N+]([O-])c1cc(Br)ccc1CN[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000575918168 566297513 /nfs/dbraw/zinc/29/75/13/566297513.db2.gz NVDCPAPIXRJZJS-JKSUJKDBSA-N 0 3 398.301 3.090 20 5 GGBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599933161 566304167 /nfs/dbraw/zinc/30/41/67/566304167.db2.gz CZMAROTWWOUWEU-RYUDHWBXSA-N 0 3 382.258 3.056 20 5 GGBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599933162 566304174 /nfs/dbraw/zinc/30/41/74/566304174.db2.gz CZMAROTWWOUWEU-VXGBXAGGSA-N 0 3 382.258 3.056 20 5 GGBDHN CC(C)N(CCn1cc([N+](=O)[O-])ccc1=O)Cc1cccc(Br)c1 ZINC000535583422 566313568 /nfs/dbraw/zinc/31/35/68/566313568.db2.gz SJMKAUCXSZRCGP-UHFFFAOYSA-N 0 3 394.269 3.430 20 5 GGBDHN C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)N1CCCC[C@H]1C ZINC000445823053 566313939 /nfs/dbraw/zinc/31/39/39/566313939.db2.gz ZYOJQNAQCNBYKK-CHWSQXEVSA-N 0 3 398.301 3.279 20 5 GGBDHN O=C(N[C@H]1CCN(C2CCCCC2)C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000600102502 566315813 /nfs/dbraw/zinc/31/58/13/566315813.db2.gz MNOMBMCEIQUCPD-LBPRGKRZSA-N 0 3 396.285 3.494 20 5 GGBDHN COc1ccc(OCCN[C@H](C)c2ccc(Br)cn2)c([N+](=O)[O-])c1 ZINC000482976418 566347179 /nfs/dbraw/zinc/34/71/79/566347179.db2.gz HSGMWMQHNYPACJ-LLVKDONJSA-N 0 3 396.241 3.491 20 5 GGBDHN Cc1c(Br)cc(C(=O)N2CC[C@H](N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000509992747 566353476 /nfs/dbraw/zinc/35/34/76/566353476.db2.gz BDBFPHSKQKASLG-AWEZNQCLSA-N 0 3 396.285 3.366 20 5 GGBDHN Cc1c(Br)cc(C(=O)N2CC[C@@H](N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000509992748 566354079 /nfs/dbraw/zinc/35/40/79/566354079.db2.gz BDBFPHSKQKASLG-CQSZACIVSA-N 0 3 396.285 3.366 20 5 GGBDHN CCN(Cc1cc(I)cc([N+](=O)[O-])c1)C[C@@H](C)OC ZINC000462824225 566355048 /nfs/dbraw/zinc/35/50/48/566355048.db2.gz CUHMMWMDNVZOLI-SNVBAGLBSA-N 0 3 378.210 3.056 20 5 GGBDHN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[C@@H](N2CC=CC2)C1 ZINC000462893651 566365854 /nfs/dbraw/zinc/36/58/54/566365854.db2.gz DOOJQSCKBFETGT-CYBMUJFWSA-N 0 3 389.253 3.356 20 5 GGBDHN Cc1c(Br)cc(C(=O)N[C@H]2CCN(C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000510479889 566386357 /nfs/dbraw/zinc/38/63/57/566386357.db2.gz QOTRLVWZQSMGDL-ZDUSSCGKSA-N 0 3 396.285 3.412 20 5 GGBDHN COC(C)(C)C[C@H](C)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000576932696 566391603 /nfs/dbraw/zinc/39/16/03/566391603.db2.gz RQGRIUNJCPUVNL-JTQLQIEISA-N 0 3 392.237 3.493 20 5 GGBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCCc2cccc(Cl)c2)cc1 ZINC000576979935 566394959 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O=[N+]([O-])c1sc(CNCCCOCC2CCOCC2)cc1Br ZINC000602560359 566477838 /nfs/dbraw/zinc/47/78/38/566477838.db2.gz STVJYWAUMOORBC-UHFFFAOYSA-N 0 3 393.303 3.342 20 5 GGBDHN O=[N+]([O-])c1sc(CNCCCOC2CCOCC2)cc1Br ZINC000602550129 566478748 /nfs/dbraw/zinc/47/87/48/566478748.db2.gz HEHJYGCDMDUKIY-UHFFFAOYSA-N 0 3 379.276 3.094 20 5 GGBDHN O=[N+]([O-])c1ccc(CCN(CCO)Cc2ccc(Br)s2)cc1 ZINC000485140162 566479197 /nfs/dbraw/zinc/47/91/97/566479197.db2.gz HKDTYDXXJQIAOQ-UHFFFAOYSA-N 0 3 385.283 3.456 20 5 GGBDHN CN(C)CCOc1ccc(CNc2ncc([N+](=O)[O-])cc2Br)cc1 ZINC000485195957 566480755 /nfs/dbraw/zinc/48/07/55/566480755.db2.gz LCCVQEVRPVAPPW-UHFFFAOYSA-N 0 3 395.257 3.305 20 5 GGBDHN CN(C)CCN(Cc1cc(Br)c([N+](=O)[O-])s1)Cc1ccccn1 ZINC000602656027 566485799 /nfs/dbraw/zinc/48/57/99/566485799.db2.gz KXSMNCSRLKMALH-UHFFFAOYSA-N 0 3 399.314 3.378 20 5 GGBDHN C[S@](=O)[C@@H]1CCC[C@H](NCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602705293 566489893 /nfs/dbraw/zinc/48/98/93/566489893.db2.gz FQXTUDKCOZDWKB-QVLRFMQRSA-N 0 3 381.317 3.198 20 5 GGBDHN C[S@](=O)[C@H]1CCC[C@H](NCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602705292 566489970 /nfs/dbraw/zinc/48/99/70/566489970.db2.gz FQXTUDKCOZDWKB-OEXNIHBPSA-N 0 3 381.317 3.198 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000578227931 566503826 /nfs/dbraw/zinc/50/38/26/566503826.db2.gz VHPXVVVSJHGTDT-CYBMUJFWSA-N 0 3 396.285 3.412 20 5 GGBDHN O=[N+]([O-])c1cc(Br)ccc1Cn1cc(CCN2CCCCC2)nn1 ZINC000603239828 566514366 /nfs/dbraw/zinc/51/43/66/566514366.db2.gz LCYXZBONJYBOOC-UHFFFAOYSA-N 0 3 394.273 3.026 20 5 GGBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000449098247 566530174 /nfs/dbraw/zinc/53/01/74/566530174.db2.gz IEBQSQACFKEZOA-ZDUSSCGKSA-N 0 3 382.869 3.243 20 5 GGBDHN CCN(CC)CCN(CC(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000604031611 566550607 /nfs/dbraw/zinc/55/06/07/566550607.db2.gz LLAZONVNUNBSTF-UHFFFAOYSA-N 0 3 391.921 3.237 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1CN(C)C ZINC000559563560 566556811 /nfs/dbraw/zinc/55/68/11/566556811.db2.gz NJIHRWRCIPSYMS-GFCCVEGCSA-N 0 3 384.274 3.222 20 5 GGBDHN CN(C)CCN(C(=O)c1sc(Br)cc1[N+](=O)[O-])C1CCCC1 ZINC000486186098 566565717 /nfs/dbraw/zinc/56/57/17/566565717.db2.gz ILHDXZBSGNQFHL-UHFFFAOYSA-N 0 3 390.303 3.365 20 5 GGBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C[C@H]1N(C)C ZINC000539357272 566577219 /nfs/dbraw/zinc/57/72/19/566577219.db2.gz WPIOUHTWLBPZAP-GDBMZVCRSA-N 0 3 383.539 3.213 20 5 GGBDHN C[C@H](C[C@@H]1CCCO1)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000514636227 566658345 /nfs/dbraw/zinc/65/83/45/566658345.db2.gz SJAHDVDKUNHSPF-YGRLFVJLSA-N 0 3 390.221 3.247 20 5 GGBDHN O=[N+]([O-])c1ccccc1OCCN[C@@H](CO)c1ccc(Br)cc1 ZINC000541052946 566690374 /nfs/dbraw/zinc/69/03/74/566690374.db2.gz CSEZMOPQRZWPAW-AWEZNQCLSA-N 0 3 381.226 3.059 20 5 GGBDHN C[C@@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000561335124 566695075 /nfs/dbraw/zinc/69/50/75/566695075.db2.gz LKXQTZZOVDPVKI-IUODEOHRSA-N 0 3 387.311 3.364 20 5 GGBDHN O=[N+]([O-])c1cc(I)cc(CNCCc2ccccc2O)c1 ZINC000580564805 566703875 /nfs/dbraw/zinc/70/38/75/566703875.db2.gz RREVJKITTACIKK-UHFFFAOYSA-N 0 3 398.200 3.237 20 5 GGBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000468471220 566703885 /nfs/dbraw/zinc/70/38/85/566703885.db2.gz UDZOSBPBXLWNGI-HNNXBMFYSA-N 0 3 398.301 3.136 20 5 GGBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000468473493 566704399 /nfs/dbraw/zinc/70/43/99/566704399.db2.gz XMNULFLAQDIAEJ-CQSZACIVSA-N 0 3 384.274 3.208 20 5 GGBDHN Cc1cc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])ccc1Br ZINC000515347448 566706687 /nfs/dbraw/zinc/70/66/87/566706687.db2.gz GXXIYYAVXMWJQI-AWEZNQCLSA-N 0 3 395.253 3.195 20 5 GGBDHN C[C@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000561527807 566715060 /nfs/dbraw/zinc/71/50/60/566715060.db2.gz SNRKTRDPNYYMHY-GFCCVEGCSA-N 0 3 396.285 3.304 20 5 GGBDHN O=[N+]([O-])c1cccc(OCCN(CCO)Cc2cccc(Br)c2)c1 ZINC000488227772 566715350 /nfs/dbraw/zinc/71/53/50/566715350.db2.gz GRFDORUZMMQMKO-UHFFFAOYSA-N 0 3 395.253 3.231 20 5 GGBDHN C[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCN(C2CCC2)C1 ZINC000561527674 566715491 /nfs/dbraw/zinc/71/54/91/566715491.db2.gz LXTXOWZEMIEBLQ-LBPRGKRZSA-N 0 3 396.285 3.304 20 5 GGBDHN CCN(CC)CCN(CC(C)C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000516341626 566758019 /nfs/dbraw/zinc/75/80/19/566758019.db2.gz NJDNSXMOLGHCSU-UHFFFAOYSA-N 0 3 391.921 3.237 20 5 GGBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)N1CCCC[C@@H]1C ZINC000610040522 566800123 /nfs/dbraw/zinc/80/01/23/566800123.db2.gz ZAEVKFOTNGTSGQ-RYUDHWBXSA-N 0 3 384.274 3.350 20 5 GGBDHN C[C@H](Cc1ccc(Cl)cc1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542680759 566816684 /nfs/dbraw/zinc/81/66/84/566816684.db2.gz MWNDLLYTBVDAMP-CYBMUJFWSA-N 0 3 382.869 3.243 20 5 GGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2ccc(Br)c(F)c2)c1 ZINC000581997909 566821885 /nfs/dbraw/zinc/82/18/85/566821885.db2.gz JHTRWAQXYZONMA-CYBMUJFWSA-N 0 3 399.216 3.026 20 5 GGBDHN O=[N+]([O-])c1cc(Br)ccc1N1CCCN(C[C@H]2CCCO2)CC1 ZINC000610489200 566836812 /nfs/dbraw/zinc/83/68/12/566836812.db2.gz LWEFVNPUCAYSNH-CQSZACIVSA-N 0 3 384.274 3.048 20 5 GGBDHN CN(Cc1ccccc1)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000610512576 566838025 /nfs/dbraw/zinc/83/80/25/566838025.db2.gz MFKMMAIRSRPGCO-CQSZACIVSA-N 0 3 391.269 3.463 20 5 GGBDHN O=[N+]([O-])c1ccccc1CNC[C@H](CO)Cc1ccc(Br)cc1 ZINC000428540550 566854381 /nfs/dbraw/zinc/85/43/81/566854381.db2.gz OAYLRKSBLBCEGU-CQSZACIVSA-N 0 3 379.254 3.298 20 5 GGBDHN O=[N+]([O-])c1cc(CNC[C@@H](CO)Cc2cccc(Br)c2)cs1 ZINC000428545332 566856591 /nfs/dbraw/zinc/85/65/91/566856591.db2.gz VJZXQMDFZHDISG-LBPRGKRZSA-N 0 3 385.283 3.360 20 5 GGBDHN O=[N+]([O-])c1cccc(CNC[C@H](CO)Cc2ccccc2Br)c1 ZINC000428547534 566856981 /nfs/dbraw/zinc/85/69/81/566856981.db2.gz PHTLJCSEPQDFRV-CQSZACIVSA-N 0 3 379.254 3.298 20 5 GGBDHN COC(C)(C)CN(C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000518012319 566860152 /nfs/dbraw/zinc/86/01/52/566860152.db2.gz VOCDFRYNQPCYDK-UHFFFAOYSA-N 0 3 378.210 3.056 20 5 GGBDHN CN(Cc1ccccc1)[C@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000610770006 566861087 /nfs/dbraw/zinc/86/10/87/566861087.db2.gz HQVLJXPNOIWQHE-HNNXBMFYSA-N 0 3 391.269 3.463 20 5 GGBDHN C[C@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000470365784 566868157 /nfs/dbraw/zinc/86/81/57/566868157.db2.gz SRVQYXUAPGWQQK-CYBMUJFWSA-N 0 3 382.869 3.415 20 5 GGBDHN CN(C)CCN(Cc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000470444782 566873404 /nfs/dbraw/zinc/87/34/04/566873404.db2.gz HMCYQBCXRPJOJK-UHFFFAOYSA-N 0 3 379.258 3.321 20 5 GGBDHN O=[N+]([O-])c1cccc(OCCN2CCC(n3cc(Br)cn3)CC2)c1 ZINC000518314512 566876806 /nfs/dbraw/zinc/87/68/06/566876806.db2.gz JTZYIWGNKOVFBI-UHFFFAOYSA-N 0 3 395.257 3.270 20 5 GGBDHN O=C(CC(F)(F)F)N1CCC(NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000543401539 566878369 /nfs/dbraw/zinc/87/83/69/566878369.db2.gz XVKHINAWBOBSMM-UHFFFAOYSA-N 0 3 379.766 3.281 20 5 GGBDHN CN(CCCN1CCCC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000543620069 566893635 /nfs/dbraw/zinc/89/36/35/566893635.db2.gz SJHORFLVWRITED-UHFFFAOYSA-N 0 3 396.296 3.008 20 5 GGBDHN O=[N+]([O-])c1cccc(OCCN[C@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000429005257 566899479 /nfs/dbraw/zinc/89/94/79/566899479.db2.gz RTQVUINIEQQJII-MRXNPFEDSA-N 0 3 399.216 3.198 20 5 GGBDHN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]1CN1CCCC1 ZINC000582929618 566907218 /nfs/dbraw/zinc/90/72/18/566907218.db2.gz OGHJWOUVTDTCSY-AWEZNQCLSA-N 0 3 383.901 3.427 20 5 GGBDHN CSC1(CNc2ncc([N+](=O)[O-])c(C)c2Br)CCN(C)CC1 ZINC000582936984 566907348 /nfs/dbraw/zinc/90/73/48/566907348.db2.gz HEFXFBJHJDNPSC-UHFFFAOYSA-N 0 3 389.319 3.300 20 5 GGBDHN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]1CN1CCCC1 ZINC000582929619 566907740 /nfs/dbraw/zinc/90/77/40/566907740.db2.gz OGHJWOUVTDTCSY-CQSZACIVSA-N 0 3 383.901 3.427 20 5 GGBDHN COCC(C)(C)N(C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000429268176 566919269 /nfs/dbraw/zinc/91/92/69/566919269.db2.gz AFCSCJUOKYAFSZ-UHFFFAOYSA-N 0 3 378.210 3.056 20 5 GGBDHN CC1(C)Cc2ccc(Br)cc2[C@H]1NCCn1cc([N+](=O)[O-])cn1 ZINC000429287974 566920165 /nfs/dbraw/zinc/92/01/65/566920165.db2.gz VMEDWSYPNMKOQJ-OAHLLOKOSA-N 0 3 379.258 3.467 20 5 GGBDHN CC1(C)Cc2ccc(Br)cc2[C@H]1NCCn1ccc([N+](=O)[O-])n1 ZINC000429293835 566920762 /nfs/dbraw/zinc/92/07/62/566920762.db2.gz MJIBHVNXIJBCEH-OAHLLOKOSA-N 0 3 379.258 3.467 20 5 GGBDHN CC1(C)Cc2c(cccc2Br)[C@H]1NCCn1cc([N+](=O)[O-])cn1 ZINC000429393231 566928997 /nfs/dbraw/zinc/92/89/97/566928997.db2.gz JOBVLWFDWQHZNV-OAHLLOKOSA-N 0 3 379.258 3.467 20 5 GGBDHN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCN(C2CCCC2)C1 ZINC000544225358 566948584 /nfs/dbraw/zinc/94/85/84/566948584.db2.gz VUVXLSUDLHGBDU-ZDUSSCGKSA-N 0 3 383.901 3.473 20 5 GGBDHN Cc1c(Br)cc(C(=O)N2CCN(C3CC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000452175100 566949096 /nfs/dbraw/zinc/94/90/96/566949096.db2.gz RTMCBMFXTNNQCW-NSHDSACASA-N 0 3 396.285 3.222 20 5 GGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(C[C@H]2CCSC2)CC1 ZINC000495059027 567041781 /nfs/dbraw/zinc/04/17/81/567041781.db2.gz LICTVYZNDGCSJN-GFCCVEGCSA-N 0 3 375.416 3.489 20 5 GGBDHN COCC1(CNCc2cc(I)cc([N+](=O)[O-])c2)CCC1 ZINC000565393263 567064091 /nfs/dbraw/zinc/06/40/91/567064091.db2.gz XFGRQYFSWPVVFH-UHFFFAOYSA-N 0 3 390.221 3.106 20 5 GGBDHN O=[N+]([O-])c1cc(I)cc(CNCCc2ccc(O)cc2)c1 ZINC000521519121 567064036 /nfs/dbraw/zinc/06/40/36/567064036.db2.gz FRKKWRMOIUJHMJ-UHFFFAOYSA-N 0 3 398.200 3.237 20 5 GGBDHN CN(C)[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000431655902 567099009 /nfs/dbraw/zinc/09/90/09/567099009.db2.gz RFHGGIVFYBAPAR-MRXNPFEDSA-N 0 3 392.253 3.390 20 5 GGBDHN CC[C@@H]1CCCCN1CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431954741 567120266 /nfs/dbraw/zinc/12/02/66/567120266.db2.gz ZMCCAVYTOGQHBO-CQSZACIVSA-N 0 3 384.274 3.352 20 5 GGBDHN Cc1ccc(CCNCc2cc(I)cc([N+](=O)[O-])c2)cn1 ZINC000589311489 567174727 /nfs/dbraw/zinc/17/47/27/567174727.db2.gz JIGGDWXMJPJEQJ-UHFFFAOYSA-N 0 3 397.216 3.235 20 5 GGBDHN C[C@@H](NCc1cc(I)cc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000589316931 567175517 /nfs/dbraw/zinc/17/55/17/567175517.db2.gz XSGVPKICHLZQGG-QMTHXVAHSA-N 0 3 390.221 3.247 20 5 GGBDHN C[C@@H](CNCc1cc(I)cc([N+](=O)[O-])c1)c1ccncc1 ZINC000589315351 567175653 /nfs/dbraw/zinc/17/56/53/567175653.db2.gz LBYDNTLUAIQXOV-NSHDSACASA-N 0 3 397.216 3.488 20 5 GGBDHN CCC[NH+](CCC)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000524410001 567197890 /nfs/dbraw/zinc/19/78/90/567197890.db2.gz FRLWGFSIWOLFEU-UHFFFAOYSA-N 0 3 377.894 3.039 20 5 GGBDHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)c(Br)c1 ZINC000590194006 567212910 /nfs/dbraw/zinc/21/29/10/567212910.db2.gz XDQKBMKTOIVWQV-JTQLQIEISA-N 0 3 384.205 3.009 20 5 GGBDHN CN(C)C(=O)CCN1CCC(Nc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000567575585 567258204 /nfs/dbraw/zinc/25/82/04/567258204.db2.gz PPCCATGGABTTAZ-UHFFFAOYSA-N 0 3 389.283 3.256 20 5 GGBDHN Cc1cc(Br)ccc1CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591735048 567293901 /nfs/dbraw/zinc/29/39/01/567293901.db2.gz XQKKGJFSICYNDN-OAHLLOKOSA-N 0 3 395.253 3.195 20 5 GGBDHN Cc1sc(S(=O)(=O)NC[C@H]2CCCN2C2CCCCC2)cc1[N+](=O)[O-] ZINC000435632445 567381447 /nfs/dbraw/zinc/38/14/47/567381447.db2.gz OJRGFIRCLAFZDU-CQSZACIVSA-N 0 3 387.527 3.040 20 5 GGBDHN CCCCOCCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000569413542 567402337 /nfs/dbraw/zinc/40/23/37/567402337.db2.gz KTSMBOBHFOSEHA-UHFFFAOYSA-N 0 3 378.210 3.106 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CN1CCCCC1 ZINC000550220548 567436023 /nfs/dbraw/zinc/43/60/23/567436023.db2.gz OGJBGVZMRHARMV-NSHDSACASA-N 0 3 384.274 3.270 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000457090200 567438070 /nfs/dbraw/zinc/43/80/70/567438070.db2.gz LTVVBKZJGZTPGY-GFCCVEGCSA-N 0 3 384.274 3.220 20 5 GGBDHN Cc1c(Br)cc(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cc1[N+](=O)[O-] ZINC000457098280 567439292 /nfs/dbraw/zinc/43/92/92/567439292.db2.gz TWSDYTYYZRDPDC-CYBMUJFWSA-N 0 3 384.274 3.220 20 5 GGBDHN Cc1c(Br)cc(C(=O)N(C)[C@H]2CCN(C(C)C)C2)cc1[N+](=O)[O-] ZINC000457098281 567439873 /nfs/dbraw/zinc/43/98/73/567439873.db2.gz TWSDYTYYZRDPDC-ZDUSSCGKSA-N 0 3 384.274 3.220 20 5 GGBDHN O=C(CN[C@@H]1CCCC[C@H]1OC(F)F)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000502562371 567442121 /nfs/dbraw/zinc/44/21/21/567442121.db2.gz ZIJSRICERASEAE-DGCLKSJQSA-N 0 3 377.775 3.327 20 5 GGBDHN CC(C)COCCCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000570087924 567457045 /nfs/dbraw/zinc/45/70/45/567457045.db2.gz HWSVETQLZGJUEA-UHFFFAOYSA-N 0 3 392.237 3.352 20 5 GGBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000594195346 567464908 /nfs/dbraw/zinc/46/49/08/567464908.db2.gz FYYISTBJNDIIRA-LSDHHAIUSA-N 0 3 382.258 3.104 20 5 GGBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000594195343 567465201 /nfs/dbraw/zinc/46/52/01/567465201.db2.gz FYYISTBJNDIIRA-CABCVRRESA-N 0 3 382.258 3.104 20 5 GGBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1Br ZINC000594195748 567465443 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CCN1CCN(C[C@H](C)CNc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596081608 567607131 /nfs/dbraw/zinc/60/71/31/567607131.db2.gz IIIUXAZJXCXSHG-CYBMUJFWSA-N 0 3 385.306 3.043 20 5 GGBDHN CCCCOCCCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000572051237 567609959 /nfs/dbraw/zinc/60/99/59/567609959.db2.gz CMZXXRRXMBJIFE-UHFFFAOYSA-N 0 3 392.237 3.496 20 5 GGBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000506730569 567641424 /nfs/dbraw/zinc/64/14/24/567641424.db2.gz ITZYHCRHROBDPO-QGZVFWFLSA-N 0 3 383.539 3.264 20 5 GGBDHN CCCN(CCN1CCCC1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000553386792 567648867 /nfs/dbraw/zinc/64/88/67/567648867.db2.gz DUGVCBMMJXSJBP-UHFFFAOYSA-N 0 3 384.274 3.305 20 5 GGBDHN O=[N+]([O-])c1ccccc1CNC[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459686506 567649938 /nfs/dbraw/zinc/64/99/38/567649938.db2.gz BUOZBPXICDZQNS-CYBMUJFWSA-N 0 3 397.244 3.437 20 5 GGBDHN O=[N+]([O-])c1cccc(CNC[C@@H](CO)Cc2cc(F)cc(Br)c2)c1 ZINC000459709193 567653500 /nfs/dbraw/zinc/65/35/00/567653500.db2.gz 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ZINC000065511670 1408681226 /nfs/dbraw/zinc/68/12/26/1408681226.db2.gz DEDVYOXTJRLPFS-FQEVSTJZSA-N 0 3 384.480 3.302 20 5 GGBDHN CN(C)CCN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1CCCCC1 ZINC000065746535 1408722831 /nfs/dbraw/zinc/72/28/31/1408722831.db2.gz LELNHDDZBTXZJV-UHFFFAOYSA-N 0 3 385.468 3.117 20 5 GGBDHN Cc1ccc([C@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)N(C)C)cc1 ZINC000065901180 1408750955 /nfs/dbraw/zinc/75/09/55/1408750955.db2.gz KULXJDBNSMWFLD-FQEVSTJZSA-N 0 3 380.448 3.277 20 5 GGBDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000065937496 1408757967 /nfs/dbraw/zinc/75/79/67/1408757967.db2.gz PGAPMYDTBOHERW-UHFFFAOYSA-N 0 3 381.354 3.216 20 5 GGBDHN COc1ccc(C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000065937242 1408758027 /nfs/dbraw/zinc/75/80/27/1408758027.db2.gz JAJNZMFYBKRWPD-UHFFFAOYSA-N 0 3 391.855 3.461 20 5 GGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000065937512 1408758066 /nfs/dbraw/zinc/75/80/66/1408758066.db2.gz RQUVFQFCSLEKTP-UHFFFAOYSA-N 0 3 377.391 3.385 20 5 GGBDHN COc1ccc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000065938233 1408758862 /nfs/dbraw/zinc/75/88/62/1408758862.db2.gz JFSIQXCWIXXTIE-UHFFFAOYSA-N 0 3 393.390 3.086 20 5 GGBDHN Cc1c(C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000065938798 1408759193 /nfs/dbraw/zinc/75/91/93/1408759193.db2.gz LZEDBMKLVPUJAG-UHFFFAOYSA-N 0 3 377.391 3.385 20 5 GGBDHN COc1ccc(CSCC(=O)NC[C@H](C)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000067270879 1409059784 /nfs/dbraw/zinc/05/97/84/1409059784.db2.gz PORZZMBBKJECFJ-HNNXBMFYSA-N 0 3 395.525 3.073 20 5 GGBDHN C[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)N1CCC(C)CC1 ZINC000067271540 1409060356 /nfs/dbraw/zinc/06/03/56/1409060356.db2.gz SUSNAFRPWOFGEV-GOSISDBHSA-N 0 3 391.515 3.391 20 5 GGBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000067386916 1409096726 /nfs/dbraw/zinc/09/67/26/1409096726.db2.gz UOUZVUDQSJRZCD-MRXNPFEDSA-N 0 3 385.468 3.171 20 5 GGBDHN 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ZINC000068265550 1409345761 /nfs/dbraw/zinc/34/57/61/1409345761.db2.gz RQLJMJNXBOIESA-CXAGYDPISA-N 0 3 391.855 3.435 20 5 GGBDHN Cc1cc(Cl)c(S(=O)(=O)NC2CCN(C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000176674993 1428400876 /nfs/dbraw/zinc/40/08/76/1428400876.db2.gz NHRCEMWNAVRSLC-UHFFFAOYSA-N 0 3 389.905 3.098 20 5 GGBDHN Cc1ccc(NC(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000068555189 1409437876 /nfs/dbraw/zinc/43/78/76/1409437876.db2.gz BATYSNCBVYITPL-HOTGVXAUSA-N 0 3 390.484 3.256 20 5 GGBDHN COc1cc(CN(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)ccc1SC ZINC000069687715 1409676015 /nfs/dbraw/zinc/67/60/15/1409676015.db2.gz OZLPRRARHLDFLZ-MRXNPFEDSA-N 0 3 392.477 3.197 20 5 GGBDHN CC1CCN([C@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC000072006500 1409836427 /nfs/dbraw/zinc/83/64/27/1409836427.db2.gz IQUWDINHYPBPQL-HXUWFJFHSA-N 0 3 382.464 3.380 20 5 GGBDHN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@@H](c1ccccc1)N(C)C ZINC000072048143 1409841452 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385.468 3.146 20 5 GGBDHN CN(C)CCN(Cc1ccccc1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000079292756 1409965739 /nfs/dbraw/zinc/96/57/39/1409965739.db2.gz PURLKDVYPUBGCQ-UHFFFAOYSA-N 0 3 396.491 3.399 20 5 GGBDHN O=C1NCCN1[C@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000092188703 1410119139 /nfs/dbraw/zinc/11/91/39/1410119139.db2.gz DWWTUIVQKQINEP-AWEZNQCLSA-N 0 3 386.477 3.313 20 5 GGBDHN COc1ccc(-c2ccc(CN3CCC[C@H](CCC(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000092660348 1410183882 /nfs/dbraw/zinc/18/38/82/1410183882.db2.gz BUHBYLZIDNGZIU-CQSZACIVSA-N 0 3 387.436 3.341 20 5 GGBDHN CCCC(=O)NC[C@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000092707443 1410191318 /nfs/dbraw/zinc/19/13/18/1410191318.db2.gz XGSAKHDIHSRFCA-MRXNPFEDSA-N 0 3 399.495 3.124 20 5 GGBDHN CCCC(=O)NC[C@@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000092707442 1410191901 /nfs/dbraw/zinc/19/19/01/1410191901.db2.gz XGSAKHDIHSRFCA-INIZCTEOSA-N 0 3 399.495 3.124 20 5 GGBDHN Cc1cccc(-c2n[nH]cc2CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000093534425 1410250731 /nfs/dbraw/zinc/25/07/31/1410250731.db2.gz CXXYDFSJCCVDLT-KRWDZBQOSA-N 0 3 378.436 3.375 20 5 GGBDHN CN(C)CCN(C)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000176806104 1428472204 /nfs/dbraw/zinc/47/22/04/1428472204.db2.gz XQUQLHMHGOYWFT-UHFFFAOYSA-N 0 3 390.871 3.494 20 5 GGBDHN C[C@@H]1CN(CC2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)C[C@H](C)O1 ZINC000097570404 1410377726 /nfs/dbraw/zinc/37/77/26/1410377726.db2.gz LDBGXERRSCPRJV-OKILXGFUSA-N 0 3 395.887 3.210 20 5 GGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(Nc3ccc(F)cc3)CC2)c1 ZINC000101561346 1410464615 /nfs/dbraw/zinc/46/46/15/1410464615.db2.gz CRTIXISFZZLYSL-LJQANCHMSA-N 0 3 389.427 3.050 20 5 GGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(Nc3ccc(F)cc3)CC2)c1 ZINC000101561347 1410464943 /nfs/dbraw/zinc/46/49/43/1410464943.db2.gz CRTIXISFZZLYSL-IBGZPJMESA-N 0 3 389.427 3.050 20 5 GGBDHN COc1cc(CNCCc2cnn(C)c2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000101593979 1410474587 /nfs/dbraw/zinc/47/45/87/1410474587.db2.gz XKMDYGLFNJMVME-UHFFFAOYSA-N 0 3 396.447 3.248 20 5 GGBDHN O=C(Nc1ccc(F)cc1)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000101916899 1410521973 /nfs/dbraw/zinc/52/19/73/1410521973.db2.gz DBJIRQYPTPNRTC-UHFFFAOYSA-N 0 3 387.411 3.463 20 5 GGBDHN COCCOCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000102424673 1410628003 /nfs/dbraw/zinc/62/80/03/1410628003.db2.gz SQHVLCIESANGOW-UHFFFAOYSA-N 0 3 399.241 3.370 20 5 GGBDHN COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccccc2)N(C)C)cc1SC ZINC000102976303 1410815521 /nfs/dbraw/zinc/81/55/21/1410815521.db2.gz GKMIMINIMMYYFH-MRXNPFEDSA-N 0 3 389.477 3.358 20 5 GGBDHN COc1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2CN(C)C)cc1SC ZINC000103064354 1410823876 /nfs/dbraw/zinc/82/38/76/1410823876.db2.gz OIIFPUPKXLCFRC-UHFFFAOYSA-N 0 3 389.477 3.317 20 5 GGBDHN C[C@H](Nc1ccc(C(=O)N(C)CCN2CCCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000103116289 1410829095 /nfs/dbraw/zinc/82/90/95/1410829095.db2.gz ZWQILVLODKMDHZ-INIZCTEOSA-N 0 3 397.479 3.331 20 5 GGBDHN CN(CCN1CCCC1)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000103119687 1410829474 /nfs/dbraw/zinc/82/94/74/1410829474.db2.gz PXWREFKOBDFHRR-UHFFFAOYSA-N 0 3 382.464 3.375 20 5 GGBDHN CCCN(CCN(C)C)C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000104530155 1410898886 /nfs/dbraw/zinc/89/88/86/1410898886.db2.gz KBPLVVYIOOEVNS-UHFFFAOYSA-N 0 3 376.501 3.245 20 5 GGBDHN O=[N+]([O-])c1ccccc1CNC[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000105486052 1411071528 /nfs/dbraw/zinc/07/15/28/1411071528.db2.gz KKCRIAJOPLSZJU-LJQANCHMSA-N 0 3 375.856 3.411 20 5 GGBDHN CCc1noc(-c2ccc(CC[NH2+]Cc3cc(OC)c([O-])cc3[N+](=O)[O-])cc2)n1 ZINC000105491488 1411072226 /nfs/dbraw/zinc/07/22/26/1411072226.db2.gz OLUCFOKBWYURRP-UHFFFAOYSA-N 0 3 398.419 3.254 20 5 GGBDHN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000106152451 1411174861 /nfs/dbraw/zinc/17/48/61/1411174861.db2.gz IBKIVPQPSCNRCQ-SFHVURJKSA-N 0 3 382.464 3.178 20 5 GGBDHN Cn1cc(CNCc2ccccc2-n2ccnc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000107044448 1411336143 /nfs/dbraw/zinc/33/61/43/1411336143.db2.gz ZWHSFSSDUCXFPY-UHFFFAOYSA-N 0 3 388.431 3.471 20 5 GGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H]2CCCN(c3cccnn3)C2)o1 ZINC000109071328 1411677081 /nfs/dbraw/zinc/67/70/81/1411677081.db2.gz IELKUKPQOXXVHA-HNNXBMFYSA-N 0 3 379.420 3.403 20 5 GGBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000109505402 1411776019 /nfs/dbraw/zinc/77/60/19/1411776019.db2.gz XKAGQCNHFBKUPC-IBGZPJMESA-N 0 3 383.448 3.479 20 5 GGBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000110199115 1411837067 /nfs/dbraw/zinc/83/70/67/1411837067.db2.gz PYBQHEZUCQEAGZ-UHFFFAOYSA-N 0 3 396.491 3.417 20 5 GGBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000110349727 1411845851 /nfs/dbraw/zinc/84/58/51/1411845851.db2.gz BGCAEUVWTYQQDH-CYBMUJFWSA-N 0 3 386.408 3.062 20 5 GGBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H](C)N(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000110349729 1411845874 /nfs/dbraw/zinc/84/58/74/1411845874.db2.gz BGCAEUVWTYQQDH-ZDUSSCGKSA-N 0 3 386.408 3.062 20 5 GGBDHN Cc1c(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000110353464 1411846204 /nfs/dbraw/zinc/84/62/04/1411846204.db2.gz YNEDSWDHGIYKCZ-CYBMUJFWSA-N 0 3 386.408 3.062 20 5 GGBDHN C[C@@H](NC(C)(C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000111049716 1411884470 /nfs/dbraw/zinc/88/44/70/1411884470.db2.gz UDDXACROQUCLDZ-CQSZACIVSA-N 0 3 377.466 3.003 20 5 GGBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000111049866 1411884688 /nfs/dbraw/zinc/88/46/88/1411884688.db2.gz XTSCTPBCBWRKHN-OAHLLOKOSA-N 0 3 391.493 3.311 20 5 GGBDHN C[C@@H](CN1CCOCC1)N(CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000111172586 1411893624 /nfs/dbraw/zinc/89/36/24/1411893624.db2.gz JTJHSYUGMVWWAZ-IBGZPJMESA-N 0 3 399.491 3.197 20 5 GGBDHN Cc1nc2c(s1)[C@H](N(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC000111313120 1411912808 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ZINC000151286982 1417915640 /nfs/dbraw/zinc/91/56/40/1417915640.db2.gz KEGDEMSVGRXPQC-OAQYLSRUSA-N 0 3 397.475 3.489 20 5 GGBDHN O=[N+]([O-])c1c(NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)ccc2ncccc21 ZINC000179261245 1429306973 /nfs/dbraw/zinc/30/69/73/1429306973.db2.gz LCKDWNMRKFXVBZ-IAGOWNOFSA-N 0 3 378.432 3.190 20 5 GGBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCN(CC4CCOCC4)CC3)o2)c1 ZINC000179626708 1429476934 /nfs/dbraw/zinc/47/69/34/1429476934.db2.gz CNOPRPILDKRZLK-UHFFFAOYSA-N 0 3 385.464 3.399 20 5 GGBDHN COc1cc([C@H](C)NCCn2cc([N+](=O)[O-])cn2)ccc1OCc1ccncc1 ZINC000179699652 1429512768 /nfs/dbraw/zinc/51/27/68/1429512768.db2.gz KOSQRXWJGZGYQI-HNNXBMFYSA-N 0 3 397.435 3.125 20 5 GGBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000152623189 1422172751 /nfs/dbraw/zinc/17/27/51/1422172751.db2.gz TVMLHZCFJMPHJM-GOSISDBHSA-N 0 3 392.459 3.399 20 5 GGBDHN Cc1cccc(NC2CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000153030891 1422333225 /nfs/dbraw/zinc/33/32/25/1422333225.db2.gz IWWWGSZMZOJLHZ-HXUWFJFHSA-N 0 3 385.464 3.219 20 5 GGBDHN O=C(Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000153059240 1422343038 /nfs/dbraw/zinc/34/30/38/1422343038.db2.gz LABFAYZXQOJGIU-LJQANCHMSA-N 0 3 391.431 3.491 20 5 GGBDHN CCOc1ccc([C@H](C)NC[C@@H](O)COc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000153170373 1422380780 /nfs/dbraw/zinc/38/07/80/1422380780.db2.gz BKXUEMGLUUOSSP-XJKSGUPXSA-N 0 3 378.400 3.223 20 5 GGBDHN CCOc1ccc([C@@H](C)NC[C@H](O)COc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000153170043 1422381101 /nfs/dbraw/zinc/38/11/01/1422381101.db2.gz BKXUEMGLUUOSSP-CJNGLKHVSA-N 0 3 378.400 3.223 20 5 GGBDHN CCOc1ccc([C@@H](C)NCCNC(=O)c2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000153316714 1422465333 /nfs/dbraw/zinc/46/53/33/1422465333.db2.gz GPDRNIDTLKFBRT-CQSZACIVSA-N 0 3 387.436 3.083 20 5 GGBDHN CCOc1ccc([C@@H](C)NC[C@H](O)COc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000153633503 1422661911 /nfs/dbraw/zinc/66/19/11/1422661911.db2.gz LQPBCOANBVOFLY-OCCSQVGLSA-N 0 3 396.390 3.362 20 5 GGBDHN CC1CCC(N2CCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)CC2)CC1 ZINC000154318604 1422872061 /nfs/dbraw/zinc/87/20/61/1422872061.db2.gz WLKWBZOKLCJLOE-UHFFFAOYSA-N 0 3 382.464 3.480 20 5 GGBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000154585244 1422945676 /nfs/dbraw/zinc/94/56/76/1422945676.db2.gz XYEZZONOUHCKJI-INIZCTEOSA-N 0 3 377.485 3.075 20 5 GGBDHN COc1ccc(CN2CCC[C@@H](CO)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000154613535 1422962767 /nfs/dbraw/zinc/96/27/67/1422962767.db2.gz PAFCOMMVVOKQIM-GOSISDBHSA-N 0 3 386.448 3.387 20 5 GGBDHN C[C@H](NCc1cccc(OCCN2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000155179104 1423216467 /nfs/dbraw/zinc/21/64/67/1423216467.db2.gz OTRTXWVBFYNPAX-KRWDZBQOSA-N 0 3 385.464 3.157 20 5 GGBDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000155344150 1423326641 /nfs/dbraw/zinc/32/66/41/1423326641.db2.gz LSVGGLJQOFXOJY-INIZCTEOSA-N 0 3 398.463 3.101 20 5 GGBDHN C[C@H](c1ccncc1)N1CCC(NC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000155522473 1423398850 /nfs/dbraw/zinc/39/88/50/1423398850.db2.gz WVJLZLYBMLFYKY-MRXNPFEDSA-N 0 3 397.479 3.134 20 5 GGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1cc(F)ccc1OC ZINC000179918911 1429640688 /nfs/dbraw/zinc/64/06/88/1429640688.db2.gz MMUBYUQEMYNHGQ-GFCCVEGCSA-N 0 3 391.399 3.431 20 5 GGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000156156215 1423698681 /nfs/dbraw/zinc/69/86/81/1423698681.db2.gz YTFKZXJUPKXZBW-UHFFFAOYSA-N 0 3 378.454 3.261 20 5 GGBDHN C[C@@H](NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000156843608 1423873485 /nfs/dbraw/zinc/87/34/85/1423873485.db2.gz JPWRYKHVRCVPIT-BZNIZROVSA-N 0 3 378.812 3.404 20 5 GGBDHN CCOC(=O)c1ccnc(N2CCCN(Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000156844248 1423874137 /nfs/dbraw/zinc/87/41/37/1423874137.db2.gz GJPZTVSUKPQMLV-INIZCTEOSA-N 0 3 398.463 3.267 20 5 GGBDHN Cc1ccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c(CN(C)C)c1 ZINC000158234113 1424202925 /nfs/dbraw/zinc/20/29/25/1424202925.db2.gz BJZBZSFBPNRXNJ-UHFFFAOYSA-N 0 3 379.420 3.403 20 5 GGBDHN CC(C)(C)C(=O)N1CCC(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000158618322 1424303117 /nfs/dbraw/zinc/30/31/17/1424303117.db2.gz ONYIFWGBHKENLS-UHFFFAOYSA-N 0 3 388.512 3.002 20 5 GGBDHN CCN1CCN(c2ccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])c(C)c2)CC1 ZINC000159594312 1424516493 /nfs/dbraw/zinc/51/64/93/1424516493.db2.gz AHCRVLQORQBCRD-UHFFFAOYSA-N 0 3 386.427 3.437 20 5 GGBDHN COc1cccc([C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2C)N2CCCC2)c1 ZINC000159673155 1424523051 /nfs/dbraw/zinc/52/30/51/1424523051.db2.gz CHVRHXQYKUAXOJ-NRFANRHFSA-N 0 3 397.475 3.408 20 5 GGBDHN CCOc1ccc([N+](=O)[O-])cc1CNc1ccc(OC2CCN(C)CC2)nc1 ZINC000160117034 1424575608 /nfs/dbraw/zinc/57/56/08/1424575608.db2.gz WNGWFFKYWIDTGL-UHFFFAOYSA-N 0 3 386.452 3.474 20 5 GGBDHN CN(C)CCN(Cc1cccs1)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000160590136 1424617294 /nfs/dbraw/zinc/61/72/94/1424617294.db2.gz WPBDHSRGNAWJTO-UHFFFAOYSA-N 0 3 399.476 3.046 20 5 GGBDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000161507561 1424696866 /nfs/dbraw/zinc/69/68/66/1424696866.db2.gz RDEDMNURNRFKQU-UHFFFAOYSA-N 0 3 381.354 3.216 20 5 GGBDHN CC(C)(C)OC1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000162236053 1424829816 /nfs/dbraw/zinc/82/98/16/1424829816.db2.gz FFNDFTIIHWGODV-UHFFFAOYSA-N 0 3 377.441 3.172 20 5 GGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000162529907 1424862808 /nfs/dbraw/zinc/86/28/08/1424862808.db2.gz HNKZIDZLXUSAHG-HOTGVXAUSA-N 0 3 390.484 3.256 20 5 GGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)[C@@H]1COc2ccccc21 ZINC000163050373 1424931330 /nfs/dbraw/zinc/93/13/30/1424931330.db2.gz PJHUYDWYOBPDLS-XEZPLFJOSA-N 0 3 385.420 3.085 20 5 GGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000163076457 1424935542 /nfs/dbraw/zinc/93/55/42/1424935542.db2.gz JMIBXUHGQJASBJ-UHFFFAOYSA-N 0 3 378.498 3.386 20 5 GGBDHN CN(C[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1)C(=O)OC(C)(C)C ZINC000170917688 1425390404 /nfs/dbraw/zinc/39/04/04/1425390404.db2.gz IKYBVUMRMGOUFA-HNNXBMFYSA-N 0 3 379.457 3.162 20 5 GGBDHN CCc1n[nH]c(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000171804139 1425824980 /nfs/dbraw/zinc/82/49/80/1425824980.db2.gz YGKFSSXTRZBMHI-KRWDZBQOSA-N 0 3 385.468 3.083 20 5 GGBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000171945170 1425858819 /nfs/dbraw/zinc/85/88/19/1425858819.db2.gz QFAMOIFCRTYDLO-UHFFFAOYSA-N 0 3 393.390 3.086 20 5 GGBDHN CCN1CCN(C[C@H](C)CNC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000171982285 1425867018 /nfs/dbraw/zinc/86/70/18/1425867018.db2.gz ITOXPOCWLDNZGI-GOSISDBHSA-N 0 3 390.531 3.391 20 5 GGBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000172199622 1425943772 /nfs/dbraw/zinc/94/37/72/1425943772.db2.gz FFBFLIJLYIPBHM-IBGZPJMESA-N 0 3 398.463 3.067 20 5 GGBDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000172698632 1426149534 /nfs/dbraw/zinc/14/95/34/1426149534.db2.gz MAOVCVZJUWGNOS-KRWDZBQOSA-N 0 3 382.464 3.401 20 5 GGBDHN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000172913345 1426256998 /nfs/dbraw/zinc/25/69/98/1426256998.db2.gz KUZZGOGJCWSFSE-UHFFFAOYSA-N 0 3 385.489 3.367 20 5 GGBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173028697 1426315196 /nfs/dbraw/zinc/31/51/96/1426315196.db2.gz XUUYTQUJUURVNG-UHFFFAOYSA-N 0 3 375.856 3.381 20 5 GGBDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173028739 1426315663 /nfs/dbraw/zinc/31/56/63/1426315663.db2.gz DBGGBRMRWPDKIU-UHFFFAOYSA-N 0 3 377.391 3.006 20 5 GGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)c1 ZINC000173028712 1426315731 /nfs/dbraw/zinc/31/57/31/1426315731.db2.gz WPVYMLAZAFHWAM-UHFFFAOYSA-N 0 3 377.391 3.385 20 5 GGBDHN C[C@@H](N[C@@H](C)c1cccc(-n2cccn2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000173198746 1426388405 /nfs/dbraw/zinc/38/84/05/1426388405.db2.gz LLJAJBBGVBEPBN-LSDHHAIUSA-N 0 3 379.420 3.458 20 5 GGBDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000173204323 1426392699 /nfs/dbraw/zinc/39/26/99/1426392699.db2.gz WDGANIXYDHNPJQ-CABCVRRESA-N 0 3 379.420 3.458 20 5 GGBDHN CCCc1[nH]nc(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000173507704 1426676765 /nfs/dbraw/zinc/67/67/65/1426676765.db2.gz WNWMUMIBHIGYNQ-HNNXBMFYSA-N 0 3 385.468 3.007 20 5 GGBDHN C[C@@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000173994304 1426931852 /nfs/dbraw/zinc/93/18/52/1426931852.db2.gz ITLVULAOCOJFAE-GOSISDBHSA-N 0 3 396.491 3.154 20 5 GGBDHN C[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(-n2cccn2)cc1 ZINC000174369073 1427124093 /nfs/dbraw/zinc/12/40/93/1427124093.db2.gz IJQPYSCEPVOBOQ-QRWLVFNGSA-N 0 3 391.431 3.237 20 5 GGBDHN Cc1ccc(NC(=O)[C@H]2CCCN(CCOc3ccccc3[N+](=O)[O-])C2)nc1 ZINC000174599170 1427249946 /nfs/dbraw/zinc/24/99/46/1427249946.db2.gz LFFMTLKZLXCERJ-INIZCTEOSA-N 0 3 384.436 3.028 20 5 GGBDHN Cc1ccc(NC(=O)[C@H]2CCCN(CCOc3cccc([N+](=O)[O-])c3)C2)nc1 ZINC000174600715 1427252043 /nfs/dbraw/zinc/25/20/43/1427252043.db2.gz SAWDCDYDSQQOGE-INIZCTEOSA-N 0 3 384.436 3.028 20 5 GGBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@H](O)COCc3cccs3)CC2)cc1 ZINC000174802498 1427377404 /nfs/dbraw/zinc/37/74/04/1427377404.db2.gz VHQODIKUWKJOII-INIZCTEOSA-N 0 3 392.477 3.077 20 5 GGBDHN Cc1cccc(OC[C@H](O)CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000174802557 1427377462 /nfs/dbraw/zinc/37/74/62/1427377462.db2.gz AJXFPMGQCZOTJH-GOSISDBHSA-N 0 3 386.448 3.186 20 5 GGBDHN Cc1ccccc1OC[C@@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174802906 1427377576 /nfs/dbraw/zinc/37/75/76/1427377576.db2.gz XKUNWDYLCINTRZ-SFHVURJKSA-N 0 3 386.448 3.186 20 5 GGBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@@H](O)COCc3cccs3)CC2)cc1 ZINC000174802490 1427377796 /nfs/dbraw/zinc/37/77/96/1427377796.db2.gz VHQODIKUWKJOII-MRXNPFEDSA-N 0 3 392.477 3.077 20 5 GGBDHN Cc1ccc(CNC(=O)C2CCN(CCOc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000175324888 1427679268 /nfs/dbraw/zinc/67/92/68/1427679268.db2.gz DFOIAUSUDZGUMM-UHFFFAOYSA-N 0 3 397.475 3.310 20 5 GGBDHN Cc1ccc(CNC(=O)C2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000175327160 1427681086 /nfs/dbraw/zinc/68/10/86/1427681086.db2.gz URKIXHNNSAGBFK-UHFFFAOYSA-N 0 3 397.475 3.310 20 5 GGBDHN CC(C)OCCN1CCC(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000175616016 1427833304 /nfs/dbraw/zinc/83/33/04/1427833304.db2.gz NKYTUTMOJYRAEZ-UHFFFAOYSA-N 0 3 392.500 3.019 20 5 GGBDHN CN(C)CCN(Cc1cccs1)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000175663388 1427849241 /nfs/dbraw/zinc/84/92/41/1427849241.db2.gz CKHINAQQUCJIPP-UHFFFAOYSA-N 0 3 399.476 3.046 20 5 GGBDHN CN1CCC(N(Cc2ccccc2)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000175960565 1427999423 /nfs/dbraw/zinc/99/94/23/1427999423.db2.gz QQZCYJCULQBLDZ-UHFFFAOYSA-N 0 3 396.491 3.443 20 5 GGBDHN C[C@@H]1CN(CC2CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000176060772 1428059466 /nfs/dbraw/zinc/05/94/66/1428059466.db2.gz PEKKWHPAELXIQE-ZIAGYGMSSA-N 0 3 395.887 3.210 20 5 GGBDHN O=[N+]([O-])c1ccn(CCN2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000176201989 1428163720 /nfs/dbraw/zinc/16/37/20/1428163720.db2.gz ZKORJBFDADVTPD-UHFFFAOYSA-N 0 3 397.401 3.018 20 5 GGBDHN Cn1cc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(-c2ccccc2)n1 ZINC000180345150 1429841151 /nfs/dbraw/zinc/84/11/51/1429841151.db2.gz FTFSMERCWJVSHV-QGZVFWFLSA-N 0 3 378.436 3.077 20 5 GGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180397651 1429856543 /nfs/dbraw/zinc/85/65/43/1429856543.db2.gz XHHCLDRJUYVVMV-LBPRGKRZSA-N 0 3 388.380 3.191 20 5 GGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180457760 1429874111 /nfs/dbraw/zinc/87/41/11/1429874111.db2.gz GAIPTNBVLODGRU-GFCCVEGCSA-N 0 3 388.380 3.191 20 5 GGBDHN CN(CCNC(=O)c1cccc([N+](=O)[O-])c1Br)Cc1ccccc1 ZINC000180544869 1429894631 /nfs/dbraw/zinc/89/46/31/1429894631.db2.gz VWVUUIBPJFVANN-UHFFFAOYSA-N 0 3 392.253 3.219 20 5 GGBDHN COC(=O)[C@H](O)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000180670114 1429966481 /nfs/dbraw/zinc/96/64/81/1429966481.db2.gz GMDPPQUISYPZIE-GOSISDBHSA-N 0 3 390.461 3.069 20 5 GGBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000180947367 1430129406 /nfs/dbraw/zinc/12/94/06/1430129406.db2.gz KHKCPWSSWPCGJP-KRWDZBQOSA-N 0 3 387.461 3.077 20 5 GGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000181201930 1430246685 /nfs/dbraw/zinc/24/66/85/1430246685.db2.gz MKGGOSVSSAJBOT-DNVCBOLYSA-N 0 3 399.447 3.299 20 5 GGBDHN COc1ccc(NC(=O)CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000181236877 1430253971 /nfs/dbraw/zinc/25/39/71/1430253971.db2.gz LNPZPEQOKRPRCT-KXBFYZLASA-N 0 3 399.447 3.299 20 5 GGBDHN Cc1cc(NCc2ccnc(N3CCOCC3)c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000181449751 1430302426 /nfs/dbraw/zinc/30/24/26/1430302426.db2.gz YJUSURMAIYMVOU-UHFFFAOYSA-N 0 3 379.420 3.295 20 5 GGBDHN CCC[C@@H](NCCN(C)S(=O)(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000181499141 1430311166 /nfs/dbraw/zinc/31/11/66/1430311166.db2.gz BIHXBHNVIGDKHL-MRXNPFEDSA-N 0 3 397.522 3.408 20 5 GGBDHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(OCC2CC2)c(F)c1 ZINC000181570600 1430321911 /nfs/dbraw/zinc/32/19/11/1430321911.db2.gz ZVRABRCKIHNLKS-CYBMUJFWSA-N 0 3 375.400 3.035 20 5 GGBDHN C[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccc(N2CCCC2)c1 ZINC000181862434 1430373510 /nfs/dbraw/zinc/37/35/10/1430373510.db2.gz ORNWVVZHRRNMHO-MRXNPFEDSA-N 0 3 394.475 3.435 20 5 GGBDHN CN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C1CCN(Cc2ccccc2)CC1 ZINC000181895305 1430379531 /nfs/dbraw/zinc/37/95/31/1430379531.db2.gz OCEQEIYCMPLKRI-UHFFFAOYSA-N 0 3 397.431 3.060 20 5 GGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000182057997 1430403462 /nfs/dbraw/zinc/40/34/62/1430403462.db2.gz NRDAINNVWJBENU-CVEARBPZSA-N 0 3 397.431 3.355 20 5 GGBDHN Cc1nc2c(s1)[C@H](N(C)C[C@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC000182168571 1430423478 /nfs/dbraw/zinc/42/34/78/1430423478.db2.gz QXQSWMVRUPETKI-XJKSGUPXSA-N 0 3 377.466 3.109 20 5 GGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(c2nc3ccccc3o2)CC1 ZINC000182174228 1430424425 /nfs/dbraw/zinc/42/44/25/1430424425.db2.gz SNZMYNVSDKOGPG-MRXNPFEDSA-N 0 3 397.431 3.355 20 5 GGBDHN CC[C@@H](NCCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1c(C)noc1C ZINC000182424740 1430465404 /nfs/dbraw/zinc/46/54/04/1430465404.db2.gz NTLUGUCWRAQJFN-CQSZACIVSA-N 0 3 376.413 3.278 20 5 GGBDHN CC[C@H](NCCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1c(C)noc1C ZINC000182424725 1430465489 /nfs/dbraw/zinc/46/54/89/1430465489.db2.gz NTLUGUCWRAQJFN-AWEZNQCLSA-N 0 3 376.413 3.278 20 5 GGBDHN COc1cc(CN(C)C2CCC(CO)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000182649738 1430509882 /nfs/dbraw/zinc/50/98/82/1430509882.db2.gz GPWPYNGYBWDQPF-UHFFFAOYSA-N 0 3 388.411 3.230 20 5 GGBDHN Cc1cc(NC(=O)NCc2ccccc2CN2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000182769621 1430536451 /nfs/dbraw/zinc/53/64/51/1430536451.db2.gz NUKWIVUPNLYYAA-UHFFFAOYSA-N 0 3 398.463 3.182 20 5 GGBDHN Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000183232918 1430654947 /nfs/dbraw/zinc/65/49/47/1430654947.db2.gz YLCFWMDBVCMCAZ-IBGZPJMESA-N 0 3 382.420 3.097 20 5 GGBDHN COC[C@@H](N[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CC1 ZINC000183442001 1430712963 /nfs/dbraw/zinc/71/29/63/1430712963.db2.gz VYXJOSZQLJBIPD-IAQYHMDHSA-N 0 3 390.465 3.060 20 5 GGBDHN COC(=O)c1cccc(NC(=O)C[C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000183450301 1430714765 /nfs/dbraw/zinc/71/47/65/1430714765.db2.gz SPWLKAVTBFIYKV-KBPBESRZSA-N 0 3 385.420 3.449 20 5 GGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000183578245 1430745620 /nfs/dbraw/zinc/74/56/20/1430745620.db2.gz XNVKZZLWOVDWJK-AWEZNQCLSA-N 0 3 395.419 3.078 20 5 GGBDHN C[C@H](NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000184037481 1430832403 /nfs/dbraw/zinc/83/24/03/1430832403.db2.gz XQLUJQJNGIZZPB-FTRWYGJKSA-N 0 3 382.464 3.476 20 5 GGBDHN C[C@H](NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000184037464 1430832547 /nfs/dbraw/zinc/83/25/47/1430832547.db2.gz XQLUJQJNGIZZPB-GUXCAODWSA-N 0 3 382.464 3.476 20 5 GGBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000184073118 1430837496 /nfs/dbraw/zinc/83/74/96/1430837496.db2.gz RHJIMXSZVDERKV-AEFFLSMTSA-N 0 3 383.448 3.000 20 5 GGBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000184350775 1430876514 /nfs/dbraw/zinc/87/65/14/1430876514.db2.gz WCCWTUDVLXQJJG-LPHOPBHVSA-N 0 3 382.464 3.257 20 5 GGBDHN COc1cc(CNCC2(CO)CCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000184372618 1430879808 /nfs/dbraw/zinc/87/98/08/1430879808.db2.gz HEERSRUKAYODGU-UHFFFAOYSA-N 0 3 386.448 3.435 20 5 GGBDHN CCN1CCN(c2cccc(NC(=O)N(C)Cc3ccccc3[N+](=O)[O-])c2)CC1 ZINC000184898477 1431016334 /nfs/dbraw/zinc/01/63/34/1431016334.db2.gz XYZUVYVISOPSQA-UHFFFAOYSA-N 0 3 397.479 3.401 20 5 GGBDHN COc1ccc(NC(=O)[C@H](C)N[C@H](C)[C@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC000185607894 1431182489 /nfs/dbraw/zinc/18/24/89/1431182489.db2.gz PEKSXWKYMSRUDV-DVOMOZLQSA-N 0 3 385.420 3.085 20 5 GGBDHN C[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000185631496 1431188941 /nfs/dbraw/zinc/18/89/41/1431188941.db2.gz ANQQKNILJNUKKG-FZMZJTMJSA-N 0 3 375.812 3.341 20 5 GGBDHN Cc1ccc([C@H](C)NCc2ccc(N3CCCS3(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000186035813 1431316310 /nfs/dbraw/zinc/31/63/10/1431316310.db2.gz MWHNOEKNTITXGV-HNNXBMFYSA-N 0 3 389.477 3.294 20 5 GGBDHN CCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000186335945 1431386525 /nfs/dbraw/zinc/38/65/25/1431386525.db2.gz WPTPCJMTEOWBRR-SFHVURJKSA-N 0 3 383.448 3.340 20 5 GGBDHN CCOc1ccc(NC(=O)CN[C@H]2CCCO[C@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000186386288 1431397731 /nfs/dbraw/zinc/39/77/31/1431397731.db2.gz LNDAQERTKHRSHR-WMZOPIPTSA-N 0 3 379.457 3.115 20 5 GGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@]2(C1)OCc1ccccc12 ZINC000186599041 1431464645 /nfs/dbraw/zinc/46/46/45/1431464645.db2.gz INGSBSSHTURLLL-NRFANRHFSA-N 0 3 397.431 3.063 20 5 GGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@]2(C1)OCc1ccccc12 ZINC000186663129 1431484618 /nfs/dbraw/zinc/48/46/18/1431484618.db2.gz CHQXRTVOZLOICA-OAQYLSRUSA-N 0 3 381.432 3.363 20 5 GGBDHN CCOC(=O)C[C@](C)(NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000186672556 1431487737 /nfs/dbraw/zinc/48/77/37/1431487737.db2.gz LVWDPIFAKVSJRD-KRWDZBQOSA-N 0 3 385.848 3.144 20 5 GGBDHN C[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@@H](c1ccccc1)N(C)C ZINC000187213321 1431650384 /nfs/dbraw/zinc/65/03/84/1431650384.db2.gz YJLKZFXCTURQIU-QRWLVFNGSA-N 0 3 393.447 3.202 20 5 GGBDHN C[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@H](c1ccccc1)N(C)C ZINC000187213870 1431651319 /nfs/dbraw/zinc/65/13/19/1431651319.db2.gz RNYVRGJYTUPICP-MGPUTAFESA-N 0 3 393.447 3.202 20 5 GGBDHN C[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC000187264260 1431672117 /nfs/dbraw/zinc/67/21/17/1431672117.db2.gz CVBHPGQVMFADHV-MGPUTAFESA-N 0 3 393.447 3.202 20 5 GGBDHN COc1cc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2)cc([N+](=O)[O-])c1C ZINC000190477939 1432389010 /nfs/dbraw/zinc/38/90/10/1432389010.db2.gz RGOVGBFKPRXTTC-UHFFFAOYSA-N 0 3 389.427 3.255 20 5 GGBDHN Cc1ccc(NC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000190839930 1432503099 /nfs/dbraw/zinc/50/30/99/1432503099.db2.gz IDKKLZGGBDTTFC-IBGZPJMESA-N 0 3 398.463 3.316 20 5 GGBDHN CCO[C@H]1C[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1(CC)CC ZINC000191070347 1432561450 /nfs/dbraw/zinc/56/14/50/1432561450.db2.gz FLBBKWPSHBCESV-SJORKVTESA-N 0 3 379.457 3.115 20 5 GGBDHN CCO[C@@H]1C[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1(CC)CC ZINC000191070380 1432561679 /nfs/dbraw/zinc/56/16/79/1432561679.db2.gz FLBBKWPSHBCESV-IAGOWNOFSA-N 0 3 379.457 3.115 20 5 GGBDHN CCO[C@H]1C[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1(CC)CC ZINC000191070364 1432561691 /nfs/dbraw/zinc/56/16/91/1432561691.db2.gz FLBBKWPSHBCESV-IRXDYDNUSA-N 0 3 379.457 3.115 20 5 GGBDHN COc1cc(CNC[C@@](C)(Cc2ccccc2)[C@H](C)O)c([N+](=O)[O-])cc1OC ZINC000191714855 1432712076 /nfs/dbraw/zinc/71/20/76/1432712076.db2.gz IOLOKLGHOUACHD-YCRPNKLZSA-N 0 3 388.464 3.331 20 5 GGBDHN Cc1cc(NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)ccc1[N+](=O)[O-] ZINC000191929482 1432757975 /nfs/dbraw/zinc/75/79/75/1432757975.db2.gz QUMXJFLHDXKQHW-LJQANCHMSA-N 0 3 398.463 3.316 20 5 GGBDHN CCc1ccc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000192220476 1432818495 /nfs/dbraw/zinc/81/84/95/1432818495.db2.gz JREFYSUCPGTQHV-FQEVSTJZSA-N 0 3 397.475 3.178 20 5 GGBDHN CCC(CC)(CN[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)OC ZINC000192700339 1432876950 /nfs/dbraw/zinc/87/69/50/1432876950.db2.gz OAZTUTNAEVPZBT-LLVKDONJSA-N 0 3 385.848 3.144 20 5 GGBDHN CNS(=O)(=O)c1ccc([C@H](C)N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192725519 1432880496 /nfs/dbraw/zinc/88/04/96/1432880496.db2.gz SYRKSIFHBJUEMR-DJJJIMSYSA-N 0 3 389.477 3.231 20 5 GGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H](O)COc1ccc(F)c(F)c1)CCC2 ZINC000192835769 1432896723 /nfs/dbraw/zinc/89/67/23/1432896723.db2.gz IKDKBZRALFGGTM-AUUYWEPGSA-N 0 3 378.375 3.280 20 5 GGBDHN O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CC[C@@H](N2CCCC2)C1 ZINC000192867333 1432900930 /nfs/dbraw/zinc/90/09/30/1432900930.db2.gz JVTLAQRNUOTAJF-GOSISDBHSA-N 0 3 395.459 3.484 20 5 GGBDHN O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CC[C@H](N2CCCC2)C1 ZINC000192867317 1432900954 /nfs/dbraw/zinc/90/09/54/1432900954.db2.gz JVTLAQRNUOTAJF-SFHVURJKSA-N 0 3 395.459 3.484 20 5 GGBDHN CN(C)CCN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CCCCC1 ZINC000193788390 1433059552 /nfs/dbraw/zinc/05/95/52/1433059552.db2.gz UBSZORVKVUNSKK-UHFFFAOYSA-N 0 3 385.468 3.117 20 5 GGBDHN CN1CCC(N(Cc2ccco2)C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000193789351 1433059825 /nfs/dbraw/zinc/05/98/25/1433059825.db2.gz IFGAQCCTWIIMPK-UHFFFAOYSA-N 0 3 387.436 3.080 20 5 GGBDHN CCOC(=O)c1cc(C(=O)N(CCN(C)C)C2CCCCC2)cc([N+](=O)[O-])c1 ZINC000193789948 1433059833 /nfs/dbraw/zinc/05/98/33/1433059833.db2.gz OKRZZYPRDLSKNG-UHFFFAOYSA-N 0 3 391.468 3.108 20 5 GGBDHN C[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)N1CCc2ccccc2C1 ZINC000193838408 1433070179 /nfs/dbraw/zinc/07/01/79/1433070179.db2.gz BPYMYUMYXYBOFY-CQSZACIVSA-N 0 3 380.448 3.338 20 5 GGBDHN COc1cccc(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000194903522 1433261295 /nfs/dbraw/zinc/26/12/95/1433261295.db2.gz JTOINVIEXTTZHJ-SFHVURJKSA-N 0 3 385.464 3.490 20 5 GGBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000195266400 1433313402 /nfs/dbraw/zinc/31/34/02/1433313402.db2.gz SQVWLDNMJKVUMN-SFHVURJKSA-N 0 3 386.452 3.014 20 5 GGBDHN CCN(CC)[C@@H](CNC(=O)c1cccc(OC)c1[N+](=O)[O-])c1ccsc1 ZINC000195421022 1433328024 /nfs/dbraw/zinc/32/80/24/1433328024.db2.gz XPWNFTKJGRIZAZ-HNNXBMFYSA-N 0 3 377.466 3.478 20 5 GGBDHN CCN(CC)[C@H](CNC(=O)c1cccc(OC)c1[N+](=O)[O-])c1ccsc1 ZINC000195421026 1433328046 /nfs/dbraw/zinc/32/80/46/1433328046.db2.gz XPWNFTKJGRIZAZ-OAHLLOKOSA-N 0 3 377.466 3.478 20 5 GGBDHN COc1ccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000237449738 1433403550 /nfs/dbraw/zinc/40/35/50/1433403550.db2.gz YHUQTSLKMFGHEI-UHFFFAOYSA-N 0 3 382.420 3.302 20 5 GGBDHN Cc1csc(Sc2ccc(C(=O)N3C[C@H](C)NC[C@@H]3C)cc2[N+](=O)[O-])n1 ZINC000237564334 1433409951 /nfs/dbraw/zinc/40/99/51/1433409951.db2.gz BCLNKRZKBZGJSK-JQWIXIFHSA-N 0 3 392.506 3.333 20 5 GGBDHN O=[N+]([O-])c1ccccc1CNC[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000237785072 1433423919 /nfs/dbraw/zinc/42/39/19/1433423919.db2.gz WJTDYEGMXJBBQN-LJQANCHMSA-N 0 3 375.856 3.411 20 5 GGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H](O)COCC3CC3)o2)c(Cl)c1 ZINC000237965217 1433437403 /nfs/dbraw/zinc/43/74/03/1433437403.db2.gz AIGNAUHLIIQJOL-CQSZACIVSA-N 0 3 380.828 3.385 20 5 GGBDHN CCCCCCNC(=O)[C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246329721 1433595828 /nfs/dbraw/zinc/59/58/28/1433595828.db2.gz SQLOYXYPHSIMSC-IEBWSBKVSA-N 0 3 377.485 3.037 20 5 GGBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](Cc2nccn2C)C1 ZINC000247335439 1433709277 /nfs/dbraw/zinc/70/92/77/1433709277.db2.gz VXDBCCHGASECCK-CABCVRRESA-N 0 3 396.451 3.394 20 5 GGBDHN CCc1nc2c(s1)[C@@H](N(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC000248470725 1433805304 /nfs/dbraw/zinc/80/53/04/1433805304.db2.gz VGMINFQVEUJBMY-CJNGLKHVSA-N 0 3 391.493 3.363 20 5 GGBDHN C[C@H](C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000248950562 1433830404 /nfs/dbraw/zinc/83/04/04/1433830404.db2.gz ZUAUONFKPWUGDK-AUSJPIAWSA-N 0 3 385.439 3.474 20 5 GGBDHN COc1cc(CN[C@@H]2C[C@@H]3OCCC[C@@H]23)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000249767224 1433851600 /nfs/dbraw/zinc/85/16/00/1433851600.db2.gz ISQKNUZJSGPMQU-SCRDCRAPSA-N 0 3 390.358 3.202 20 5 GGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN(Cc2ccccc2)C[C@H]2CCCO2)c1 ZINC000250656266 1433857199 /nfs/dbraw/zinc/85/71/99/1433857199.db2.gz VREBHNUHJDBLKK-TZIWHRDSSA-N 0 3 386.448 3.016 20 5 GGBDHN Cc1csc(Sc2ccc(C(=O)N3CCN[C@H](C)[C@H]3C)cc2[N+](=O)[O-])n1 ZINC000262691799 1433950641 /nfs/dbraw/zinc/95/06/41/1433950641.db2.gz AAANGWBCYJQCSV-VXGBXAGGSA-N 0 3 392.506 3.333 20 5 GGBDHN C[C@@H]1CN(CC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)C[C@@H](C)O1 ZINC000263774648 1434032207 /nfs/dbraw/zinc/03/22/07/1434032207.db2.gz MRHLLCQPMKCKDZ-ZIAGYGMSSA-N 0 3 395.887 3.210 20 5 GGBDHN CN1CCC(N(Cc2ccco2)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000264843986 1434159069 /nfs/dbraw/zinc/15/90/69/1434159069.db2.gz AZYGEVATBFRKEU-UHFFFAOYSA-N 0 3 382.420 3.406 20 5 GGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H](O)C3CCOCC3)o2)c(Cl)c1 ZINC000265594167 1434249045 /nfs/dbraw/zinc/24/90/45/1434249045.db2.gz KWTZVGDDSUZTIM-KRWDZBQOSA-N 0 3 380.828 3.385 20 5 GGBDHN COc1cc(CNC[C@H](C)C[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000265840447 1434271198 /nfs/dbraw/zinc/27/11/98/1434271198.db2.gz GGTVDYUXQPWWSH-MNOVXSKESA-N 0 3 380.363 3.041 20 5 GGBDHN O=C(Nc1ccc(O)cc1)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000265995223 1434294370 /nfs/dbraw/zinc/29/43/70/1434294370.db2.gz LNGJQAQHSXXMDQ-UHFFFAOYSA-N 0 3 385.420 3.030 20 5 GGBDHN CC(C)OCCN1CCC(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000267016936 1434399260 /nfs/dbraw/zinc/39/92/60/1434399260.db2.gz UMVRVCJXIIXQFQ-UHFFFAOYSA-N 0 3 391.493 3.429 20 5 GGBDHN Cc1nc([C@H]2CCCN([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n[nH]1 ZINC000268423899 1434521641 /nfs/dbraw/zinc/52/16/41/1434521641.db2.gz DISAKOLABMXONB-FZMZJTMJSA-N 0 3 383.412 3.012 20 5 GGBDHN Cc1n[nH]c([C@H]2CCCN([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000268423899 1434521644 /nfs/dbraw/zinc/52/16/44/1434521644.db2.gz DISAKOLABMXONB-FZMZJTMJSA-N 0 3 383.412 3.012 20 5 GGBDHN Cc1nnc([C@H]2CCCN([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)[nH]1 ZINC000268423899 1434521646 /nfs/dbraw/zinc/52/16/46/1434521646.db2.gz DISAKOLABMXONB-FZMZJTMJSA-N 0 3 383.412 3.012 20 5 GGBDHN Cc1nc([C@@H]2CCCN([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n[nH]1 ZINC000268423903 1434521709 /nfs/dbraw/zinc/52/17/09/1434521709.db2.gz DISAKOLABMXONB-SMDDNHRTSA-N 0 3 383.412 3.012 20 5 GGBDHN Cc1n[nH]c([C@@H]2CCCN([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000268423903 1434521710 /nfs/dbraw/zinc/52/17/10/1434521710.db2.gz DISAKOLABMXONB-SMDDNHRTSA-N 0 3 383.412 3.012 20 5 GGBDHN Cc1nnc([C@@H]2CCCN([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)[nH]1 ZINC000268423903 1434521712 /nfs/dbraw/zinc/52/17/12/1434521712.db2.gz DISAKOLABMXONB-SMDDNHRTSA-N 0 3 383.412 3.012 20 5 GGBDHN COc1ccc(CN[C@H](C)CC(=O)Nc2cccnc2Cl)cc1[N+](=O)[O-] ZINC000268807999 1434559673 /nfs/dbraw/zinc/55/96/73/1434559673.db2.gz IIQQZNNTGZWUFZ-LLVKDONJSA-N 0 3 378.816 3.159 20 5 GGBDHN CCC[C@@H](NCc1ccc(OCC(N)=O)c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000268810694 1434560119 /nfs/dbraw/zinc/56/01/19/1434560119.db2.gz IYMBMBUZMGJCCO-QGZVFWFLSA-N 0 3 387.436 3.099 20 5 GGBDHN CCC[C@H](NCc1ccc(OCC(N)=O)c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000268810691 1434560292 /nfs/dbraw/zinc/56/02/92/1434560292.db2.gz IYMBMBUZMGJCCO-KRWDZBQOSA-N 0 3 387.436 3.099 20 5 GGBDHN COc1cccc(OC)c1OC[C@H](O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000268831546 1434562083 /nfs/dbraw/zinc/56/20/83/1434562083.db2.gz KNNXFXRSVAWMPB-GOEBONIOSA-N 0 3 390.436 3.011 20 5 GGBDHN CC(C)c1[n-]nc(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)c1[N+](=O)[O-] ZINC000269462521 1434649292 /nfs/dbraw/zinc/64/92/92/1434649292.db2.gz SQHJTPPPSWYIJN-UHFFFAOYSA-N 0 3 395.847 3.287 20 5 GGBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000270775940 1434773839 /nfs/dbraw/zinc/77/38/39/1434773839.db2.gz NCNFXMPOXMCBJH-MRXNPFEDSA-N 0 3 393.509 3.034 20 5 GGBDHN CC(C)OCCOC[C@@H](O)CN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000271112457 1434802680 /nfs/dbraw/zinc/80/26/80/1434802680.db2.gz ADPNTPWFGRHUME-SFHVURJKSA-N 0 3 392.452 3.089 20 5 GGBDHN COc1cc(CNCC2(CCO)CCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272504516 1434901483 /nfs/dbraw/zinc/90/14/83/1434901483.db2.gz WBTBENYEMMRWMV-UHFFFAOYSA-N 0 3 388.411 3.280 20 5 GGBDHN COc1cc(CNCCCn2nc(C)cc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272509628 1434902238 /nfs/dbraw/zinc/90/22/38/1434902238.db2.gz WVOOCADDOLPRDE-UHFFFAOYSA-N 0 3 398.410 3.241 20 5 GGBDHN COc1cc(CNCC(C)(C)C[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000272527146 1434904398 /nfs/dbraw/zinc/90/43/98/1434904398.db2.gz YZMWTMRSETVLIE-NSHDSACASA-N 0 3 376.400 3.134 20 5 GGBDHN C[C@@H]1CN(CC2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)CC2)C[C@H](C)O1 ZINC000273371330 1434984043 /nfs/dbraw/zinc/98/40/43/1434984043.db2.gz GUYLYRXFMYCKIZ-OKILXGFUSA-N 0 3 394.447 3.087 20 5 GGBDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273383547 1434985175 /nfs/dbraw/zinc/98/51/75/1434985175.db2.gz IRFRWIJCZXGTJP-UHFFFAOYSA-N 0 3 376.388 3.035 20 5 GGBDHN COc1cc(C[NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000273510436 1434993491 /nfs/dbraw/zinc/99/34/91/1434993491.db2.gz QRHIMWYHOQMTJK-CRAIPNDOSA-N 0 3 376.384 3.458 20 5 GGBDHN Cc1c(-c2nc(-c3ccc(N4CCCN(C)CC4)nc3)no2)cccc1[N+](=O)[O-] ZINC000273751783 1435010887 /nfs/dbraw/zinc/01/08/87/1435010887.db2.gz COCYIZLXTALFIK-UHFFFAOYSA-N 0 3 394.435 3.157 20 5 GGBDHN CC(C)c1[n-]nc(-c2nc(-c3ccccc3OCC[NH+](C)C)no2)c1[N+](=O)[O-] ZINC000274014443 1435037185 /nfs/dbraw/zinc/03/71/85/1435037185.db2.gz ZMLVOPQFZDVOLS-UHFFFAOYSA-N 0 3 386.412 3.099 20 5 GGBDHN COc1cc(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)cc([N+](=O)[O-])c1OC ZINC000274592610 1435079930 /nfs/dbraw/zinc/07/99/30/1435079930.db2.gz FQNIMDCOLSCGLV-ACJLOTCBSA-N 0 3 387.436 3.033 20 5 GGBDHN COc1ccc(CN[C@@H](CCn2cncn2)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000275847320 1435174517 /nfs/dbraw/zinc/17/45/17/1435174517.db2.gz KJZIFONVBVBMEP-SFHVURJKSA-N 0 3 381.436 3.425 20 5 GGBDHN C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)[C@@H]1CCCN(C2CCC2)C1 ZINC000276326830 1435204903 /nfs/dbraw/zinc/20/49/03/1435204903.db2.gz QQOJLIYNQCKZPW-ZIAGYGMSSA-N 0 3 381.498 3.063 20 5 GGBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000277417759 1435303341 /nfs/dbraw/zinc/30/33/41/1435303341.db2.gz CQKXUFVQDJZEMC-MRXNPFEDSA-N 0 3 393.509 3.080 20 5 GGBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@@H]21 ZINC000277559987 1435312983 /nfs/dbraw/zinc/31/29/83/1435312983.db2.gz JWCJPLAONBIVKM-MJGOQNOKSA-N 0 3 381.432 3.360 20 5 GGBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@@H]([C@H](O)C(F)(F)F)C3)o2)c1 ZINC000277624816 1435317280 /nfs/dbraw/zinc/31/72/80/1435317280.db2.gz ASCRXTCETRCOAP-DYVFJYSZSA-N 0 3 399.369 3.428 20 5 GGBDHN O=[N+]([O-])c1cccc(-c2nc(CNC3CCN(c4cccnn4)CC3)cs2)c1 ZINC000277720215 1435324378 /nfs/dbraw/zinc/32/43/78/1435324378.db2.gz SWSQAWNWMOJBIZ-UHFFFAOYSA-N 0 3 396.476 3.267 20 5 GGBDHN COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCCN2C2CC2)cc1SC ZINC000277977353 1435347413 /nfs/dbraw/zinc/34/74/13/1435347413.db2.gz QLLGMTPNPGGSAP-CYBMUJFWSA-N 0 3 379.482 3.072 20 5 GGBDHN CN1CCN(c2ncccc2CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000278975180 1435447515 /nfs/dbraw/zinc/44/75/15/1435447515.db2.gz CMXFZGTXXHJBHC-HXUWFJFHSA-N 0 3 395.507 3.254 20 5 GGBDHN 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ZINC001164899059 721510985 /nfs/dbraw/zinc/51/09/85/721510985.db2.gz JUHSVVUHHLJTLO-HOCLYGCPSA-N 0 3 392.818 3.124 20 5 GGBDHN O=[N+]([O-])c1cc(Cl)cc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164905238 721527156 /nfs/dbraw/zinc/52/71/56/721527156.db2.gz HDNTUIXHYNHLTC-HOCLYGCPSA-N 0 3 392.818 3.124 20 5 GGBDHN C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824604801 946854065 /nfs/dbraw/zinc/85/40/65/946854065.db2.gz DSEDPTAHKYLNSR-SNVBAGLBSA-N 0 3 390.806 3.461 20 5 GGBDHN C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824604801 946854074 /nfs/dbraw/zinc/85/40/74/946854074.db2.gz DSEDPTAHKYLNSR-SNVBAGLBSA-N 0 3 390.806 3.461 20 5 GGBDHN C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001575516981 949218790 /nfs/dbraw/zinc/21/87/90/949218790.db2.gz SHMJSYQTDKGGQX-JSGCOSHPSA-N 0 3 397.414 3.161 20 5 GGBDHN C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001575516981 949218809 /nfs/dbraw/zinc/21/88/09/949218809.db2.gz SHMJSYQTDKGGQX-JSGCOSHPSA-N 0 3 397.414 3.161 20 5 GGBDHN C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001575516983 949222313 /nfs/dbraw/zinc/22/23/13/949222313.db2.gz SHMJSYQTDKGGQX-TZMCWYRMSA-N 0 3 397.414 3.161 20 5 GGBDHN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001575516983 949222335 /nfs/dbraw/zinc/22/23/35/949222335.db2.gz SHMJSYQTDKGGQX-TZMCWYRMSA-N 0 3 397.414 3.161 20 5 GGBDHN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H]1CN1CCCCC1 ZINC000120604379 564328604 /nfs/dbraw/zinc/32/86/04/564328604.db2.gz UVOJRQOGOZYGED-HNNXBMFYSA-N 0 3 396.285 3.448 20 5 GGBDHN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H]1CN1CCCCC1 ZINC000120604236 564328979 /nfs/dbraw/zinc/32/89/79/564328979.db2.gz UVOJRQOGOZYGED-OAHLLOKOSA-N 0 3 396.285 3.448 20 5 GGBDHN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]1CN1CCCCC1 ZINC000120964380 564346046 /nfs/dbraw/zinc/34/60/46/564346046.db2.gz UUKXRTWPLNOMOJ-CQSZACIVSA-N 0 3 396.285 3.448 20 5 GGBDHN CN(Cc1ccc(Br)cc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026712839 564349085 /nfs/dbraw/zinc/34/90/85/564349085.db2.gz AIVWQZUPCMDUFK-INIZCTEOSA-N 0 3 395.253 3.229 20 5 GGBDHN Cc1ccc(CNCCNC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000121146426 564356238 /nfs/dbraw/zinc/35/62/38/564356238.db2.gz NYBMJKDNIQTEGM-UHFFFAOYSA-N 0 3 392.253 3.185 20 5 GGBDHN O=C(NCC1(N2CCSCC2)CCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000031960619 564394712 /nfs/dbraw/zinc/39/47/12/564394712.db2.gz VPYHPNWECWJZFD-UHFFFAOYSA-N 0 3 383.901 3.340 20 5 GGBDHN CN(C)Cc1ccc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000124922057 564497538 /nfs/dbraw/zinc/49/75/38/564497538.db2.gz FZPZXMXDLBBXMG-UHFFFAOYSA-N 0 3 392.253 3.349 20 5 GGBDHN C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)N1CCC(C)CC1 ZINC000128547440 564621970 /nfs/dbraw/zinc/62/19/70/564621970.db2.gz XRCACDZWCCALBF-CYBMUJFWSA-N 0 3 398.301 3.136 20 5 GGBDHN CCN1CCN(CCNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000058789726 564689930 /nfs/dbraw/zinc/68/99/30/564689930.db2.gz SESUZWNZSJCGDH-UHFFFAOYSA-N 0 3 380.798 3.316 20 5 GGBDHN Cc1c(Cl)cc(S(=O)(=O)NCCCN2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000060950706 564703131 /nfs/dbraw/zinc/70/31/31/564703131.db2.gz UIOYNIYLJQTTFA-GFCCVEGCSA-N 0 3 389.905 3.099 20 5 GGBDHN O=C(Nc1ccc(CCN2CCSCC2)cc1)c1ccc([N+](=O)[O-])s1 ZINC000061289353 564705157 /nfs/dbraw/zinc/70/51/57/564705157.db2.gz HVJZLWMGTBHBJQ-UHFFFAOYSA-N 0 3 377.491 3.500 20 5 GGBDHN C[C@@H]1C[C@@H](Nc2ccc(I)cc2[N+](=O)[O-])CCN1C ZINC000097635713 564909532 /nfs/dbraw/zinc/90/95/32/564909532.db2.gz IYBHEEIKIATDLX-KOLCDFICSA-N 0 3 375.210 3.094 20 5 GGBDHN O=C(NCCCNCc1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000101597316 564919364 /nfs/dbraw/zinc/91/93/64/564919364.db2.gz PCDLUDCWVVEOOA-UHFFFAOYSA-N 0 3 392.253 3.267 20 5 GGBDHN CCN1CCC[C@@H]1CNc1ccc(I)cc1[N+](=O)[O-] ZINC000107801824 565002645 /nfs/dbraw/zinc/00/26/45/565002645.db2.gz IQGSUWXDWRQOJF-LLVKDONJSA-N 0 3 375.210 3.096 20 5 GGBDHN COC[C@H](O)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000153784071 565010642 /nfs/dbraw/zinc/01/06/42/565010642.db2.gz PECJNANKSKCGDK-GFCCVEGCSA-N 0 3 399.241 3.104 20 5 GGBDHN CN(Cc1ccccc1)C[C@H](O)COc1ccc(Br)cc1[N+](=O)[O-] ZINC000153852119 565014188 /nfs/dbraw/zinc/01/41/88/565014188.db2.gz FUJJRRLCEUISDA-HNNXBMFYSA-N 0 3 395.253 3.229 20 5 GGBDHN CN(Cc1ccccc1)C[C@@H](O)COc1ccc(Br)cc1[N+](=O)[O-] ZINC000153852244 565014411 /nfs/dbraw/zinc/01/44/11/565014411.db2.gz FUJJRRLCEUISDA-OAHLLOKOSA-N 0 3 395.253 3.229 20 5 GGBDHN CN(Cc1ccccc1)C[C@H](O)COc1ccc([N+](=O)[O-])cc1Br ZINC000155052054 565060628 /nfs/dbraw/zinc/06/06/28/565060628.db2.gz CQACVJJITLNTPR-HNNXBMFYSA-N 0 3 395.253 3.229 20 5 GGBDHN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)NC1CCN(C2CC2)CC1 ZINC000155165725 565063343 /nfs/dbraw/zinc/06/33/43/565063343.db2.gz OKCMNSOYVWFOMF-UHFFFAOYSA-N 0 3 383.246 3.106 20 5 GGBDHN CN(C)[C@]1(CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCSC1 ZINC000292040951 565094692 /nfs/dbraw/zinc/09/46/92/565094692.db2.gz XRZNTWDBVAOUIM-AWEZNQCLSA-N 0 3 378.281 3.069 20 5 GGBDHN CN(C)[C@@]1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCSC1 ZINC000267108261 565105369 /nfs/dbraw/zinc/10/53/69/565105369.db2.gz QNCQEBIQIOFCKB-QGZVFWFLSA-N 0 3 378.523 3.245 20 5 GGBDHN Cc1c(Br)cc(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)cc1[N+](=O)[O-] ZINC000294283460 565206450 /nfs/dbraw/zinc/20/64/50/565206450.db2.gz UWSAZLZCFQQRMU-KRWDZBQOSA-N 0 3 396.285 3.224 20 5 GGBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H](O)c1ccccc1Br ZINC000295433898 565265451 /nfs/dbraw/zinc/26/54/51/565265451.db2.gz VZTVRDMECBDQDJ-IRXDYDNUSA-N 0 3 395.253 3.056 20 5 GGBDHN Cc1c(Br)cc(C(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000272209853 565280939 /nfs/dbraw/zinc/28/09/39/565280939.db2.gz RHHLKHYXXXTNRC-LBPRGKRZSA-N 0 3 398.301 3.468 20 5 GGBDHN Cc1c(Br)cc(C(=O)N(C)[C@H](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000272209852 565280957 /nfs/dbraw/zinc/28/09/57/565280957.db2.gz RHHLKHYXXXTNRC-GFCCVEGCSA-N 0 3 398.301 3.468 20 5 GGBDHN COc1cc(CNC[C@@H]2CSCCS2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272441698 565287812 /nfs/dbraw/zinc/28/78/12/565287812.db2.gz OOHUEZFQLSTAFP-LLVKDONJSA-N 0 3 394.465 3.186 20 5 GGBDHN C[C@@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000272711085 565295873 /nfs/dbraw/zinc/29/58/73/565295873.db2.gz KRXSXOAUFKUGRJ-SNVBAGLBSA-N 0 3 383.246 3.129 20 5 GGBDHN Cc1c(Br)cc(C(=O)N[C@H](C)C2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000272787397 565296677 /nfs/dbraw/zinc/29/66/77/565296677.db2.gz SPODNQYXGWVFEP-LLVKDONJSA-N 0 3 382.258 3.046 20 5 GGBDHN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H](N2CCCC2)C1 ZINC000162164816 565307399 /nfs/dbraw/zinc/30/73/99/565307399.db2.gz QNDLYSAQTHDTRZ-CQSZACIVSA-N 0 3 382.258 3.058 20 5 GGBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000273224276 565313045 /nfs/dbraw/zinc/31/30/45/565313045.db2.gz DSBIUDMUGPEPKL-LLVKDONJSA-N 0 3 384.274 3.160 20 5 GGBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000273288337 565315507 /nfs/dbraw/zinc/31/55/07/565315507.db2.gz PETKUIGGYZLFPR-NSHDSACASA-N 0 3 384.274 3.160 20 5 GGBDHN Cc1c(Br)cc(C(=O)N(C)CC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000188027906 565372076 /nfs/dbraw/zinc/37/20/76/565372076.db2.gz ZBDLTIYQTKRAGS-UHFFFAOYSA-N 0 3 384.274 3.222 20 5 GGBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000275555233 565417818 /nfs/dbraw/zinc/41/78/18/565417818.db2.gz CSWKUWOBLBYIBN-VXGBXAGGSA-N 0 3 380.388 3.079 20 5 GGBDHN CN(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1Br)Cc1ccccc1 ZINC000301490994 565490004 /nfs/dbraw/zinc/49/00/04/565490004.db2.gz BGAYPCFYFAWEFK-CYBMUJFWSA-N 0 3 379.258 3.337 20 5 GGBDHN CN(C)[C@H](CNc1ncc([N+](=O)[O-])cc1Br)Cc1ccccc1 ZINC000301490995 565490105 /nfs/dbraw/zinc/49/01/05/565490105.db2.gz BGAYPCFYFAWEFK-ZDUSSCGKSA-N 0 3 379.258 3.337 20 5 GGBDHN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCCN(C2CCCC2)CC1 ZINC000172555346 565491777 /nfs/dbraw/zinc/49/17/77/565491777.db2.gz UUIBTAZUYHJZPS-UHFFFAOYSA-N 0 3 396.285 3.448 20 5 GGBDHN CN(CCNc1ncc([N+](=O)[O-])cc1Br)Cc1ccc(F)cc1 ZINC000301517479 565492751 /nfs/dbraw/zinc/49/27/51/565492751.db2.gz FUHBZSZFFOVNBO-UHFFFAOYSA-N 0 3 383.221 3.435 20 5 GGBDHN C[C@@H]1CN(CCCCNc2ncc([N+](=O)[O-])cc2Br)C[C@@H](C)O1 ZINC000301659640 565502443 /nfs/dbraw/zinc/50/24/43/565502443.db2.gz TWCCLMITUKVXIG-VXGBXAGGSA-N 0 3 387.278 3.054 20 5 GGBDHN C[C@@H]1CN(CCCCNc2ncc(Br)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000301661708 565503294 /nfs/dbraw/zinc/50/32/94/565503294.db2.gz KCTKTEIBGVNAAZ-TXEJJXNPSA-N 0 3 387.278 3.054 20 5 GGBDHN CC1CCC(N2CCN(c3ncc(Br)cc3[N+](=O)[O-])CC2)CC1 ZINC000301694065 565504402 /nfs/dbraw/zinc/50/44/02/565504402.db2.gz OTNDZEPOHSXTNP-UHFFFAOYSA-N 0 3 383.290 3.453 20 5 GGBDHN CN(C)[C@@H](CNc1ncc(Br)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000301683498 565504831 /nfs/dbraw/zinc/50/48/31/565504831.db2.gz KMXGXUKXCJDCPN-CQSZACIVSA-N 0 3 379.258 3.337 20 5 GGBDHN O=[N+]([O-])c1cc(Br)cnc1NCC1(N2CCCCC2)CCOCC1 ZINC000301715380 565506592 /nfs/dbraw/zinc/50/65/92/565506592.db2.gz ZZNQJWARNNIYEH-UHFFFAOYSA-N 0 3 399.289 3.199 20 5 GGBDHN CC(C)OCCN1CCC(Nc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000301840359 565512721 /nfs/dbraw/zinc/51/27/21/565512721.db2.gz APISKKZSDASATC-UHFFFAOYSA-N 0 3 387.278 3.054 20 5 GGBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000277720375 565516398 /nfs/dbraw/zinc/51/63/98/565516398.db2.gz SZAOMDPABDKVNL-NSHDSACASA-N 0 3 384.274 3.160 20 5 GGBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000277720370 565516621 /nfs/dbraw/zinc/51/66/21/565516621.db2.gz SZAOMDPABDKVNL-LLVKDONJSA-N 0 3 384.274 3.160 20 5 GGBDHN O=C(N[C@H]1CCN(CC2CCCC2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000173280569 565543151 /nfs/dbraw/zinc/54/31/51/565543151.db2.gz SHPHEAXBXFOZFI-ZDUSSCGKSA-N 0 3 396.285 3.352 20 5 GGBDHN C[C@H](NCCNC(=O)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173341276 565550297 /nfs/dbraw/zinc/55/02/97/565550297.db2.gz PEERATVUYORIRS-LBPRGKRZSA-N 0 3 392.253 3.438 20 5 GGBDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000278823801 565579508 /nfs/dbraw/zinc/57/95/08/565579508.db2.gz YGLRCMFHCPCKOJ-ZDUSSCGKSA-N 0 3 398.301 3.042 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000408004901 565590979 /nfs/dbraw/zinc/59/09/79/565590979.db2.gz ZWKTVSCGKSZQGI-LRDDRELGSA-N 0 3 396.285 3.222 20 5 GGBDHN Cc1c(CNC[C@@H](O)COc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000326317475 565623782 /nfs/dbraw/zinc/62/37/82/565623782.db2.gz ULZPGDDMQLYUPU-OAHLLOKOSA-N 0 3 395.253 3.195 20 5 GGBDHN CS(=O)(=O)C1(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCC1 ZINC000279635793 565624138 /nfs/dbraw/zinc/62/41/38/565624138.db2.gz CMAFRFGRCOXNRO-UHFFFAOYSA-N 0 3 380.491 3.380 20 5 GGBDHN [NH3+]CCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000327769552 565633586 /nfs/dbraw/zinc/63/35/86/565633586.db2.gz SDHJZQYFPKTEKD-OAHLLOKOSA-N 0 3 383.857 3.007 20 5 GGBDHN CS(=O)(=O)C1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCC1 ZINC000279789939 565634125 /nfs/dbraw/zinc/63/41/25/565634125.db2.gz MGPQKVLCGQNWNO-UHFFFAOYSA-N 0 3 380.491 3.380 20 5 GGBDHN COc1cc(CNC[C@H]2CCSC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000280118860 565652682 /nfs/dbraw/zinc/65/26/82/565652682.db2.gz PJSZVYCKSXVSGX-SNVBAGLBSA-N 0 3 380.388 3.387 20 5 GGBDHN CN(C)Cc1ccc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000175181940 565683732 /nfs/dbraw/zinc/68/37/32/565683732.db2.gz RJYUPASIZOMGPS-UHFFFAOYSA-N 0 3 392.253 3.349 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000330476109 565709063 /nfs/dbraw/zinc/70/90/63/565709063.db2.gz GZBLHSLANHKWTM-LBPRGKRZSA-N 0 3 384.274 3.080 20 5 GGBDHN O=C(N[C@H]1CCN(CC2CCCC2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176020301 565741113 /nfs/dbraw/zinc/74/11/13/565741113.db2.gz YMUUVTIJGNHFIC-AWEZNQCLSA-N 0 3 396.285 3.352 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000331419869 565759792 /nfs/dbraw/zinc/75/97/92/565759792.db2.gz KROKMEGWUHPWQO-ZDUSSCGKSA-N 0 3 396.285 3.366 20 5 GGBDHN COC1([C@@H](C)NCc2cc(I)cc([N+](=O)[O-])c2)CCC1 ZINC000412017957 565766241 /nfs/dbraw/zinc/76/62/41/565766241.db2.gz AQZQMQVKXQYZBE-SNVBAGLBSA-N 0 3 390.221 3.247 20 5 GGBDHN Cc1c(Cl)cc(S(=O)(=O)NC2CCN(C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000193919220 565784082 /nfs/dbraw/zinc/78/40/82/565784082.db2.gz WXSBCRFVQSMOOC-UHFFFAOYSA-N 0 3 389.905 3.098 20 5 GGBDHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000331827312 565785612 /nfs/dbraw/zinc/78/56/12/565785612.db2.gz JCLPJKQNLMPBCK-UWVGGRQHSA-N 0 3 388.287 3.118 20 5 GGBDHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000331827315 565786483 /nfs/dbraw/zinc/78/64/83/565786483.db2.gz JCLPJKQNLMPBCK-VHSXEESVSA-N 0 3 388.287 3.118 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000331901889 565791796 /nfs/dbraw/zinc/79/17/96/565791796.db2.gz GXQKHKOQQGMHND-LBPRGKRZSA-N 0 3 396.285 3.412 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CCCC2)[C@H]1C ZINC000332089923 565804989 /nfs/dbraw/zinc/80/49/89/565804989.db2.gz 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CC(C)(C)N1C[C@@H](CNCc2cc(Br)c([N+](=O)[O-])s2)CC1=O ZINC000602717897 566489944 /nfs/dbraw/zinc/48/99/44/566489944.db2.gz JUNXVEYUZXIXAO-SECBINFHSA-N 0 3 390.303 3.155 20 5 GGBDHN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCCN(CC2CCC2)CC1 ZINC000578420912 566520722 /nfs/dbraw/zinc/52/07/22/566520722.db2.gz LKQTVTJBIUANGC-UHFFFAOYSA-N 0 3 396.285 3.305 20 5 GGBDHN C[C@H]1CSC[C@@H]1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000578682183 566543394 /nfs/dbraw/zinc/54/33/94/566543394.db2.gz GCBKJEGPGAXDRV-UFBFGSQYSA-N 0 3 378.235 3.041 20 5 GGBDHN CN(Cc1cccc(Br)c1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000604016316 566550770 /nfs/dbraw/zinc/55/07/70/566550770.db2.gz PDOYDJABRMZJPF-INIZCTEOSA-N 0 3 395.253 3.229 20 5 GGBDHN CC(C)c1ccc(CNCCn2cc(Br)ccc2=O)cc1[N+](=O)[O-] ZINC000449373965 566553654 /nfs/dbraw/zinc/55/36/54/566553654.db2.gz DFUWUUXAAJTLCF-UHFFFAOYSA-N 0 3 394.269 3.432 20 5 GGBDHN O=[N+]([O-])c1cccc(CNC[C@H](CO)Cc2cc(Br)ccc2F)c1 ZINC000449603335 566582310 /nfs/dbraw/zinc/58/23/10/566582310.db2.gz VXBLFPSRQAEIKC-CYBMUJFWSA-N 0 3 397.244 3.437 20 5 GGBDHN O=[N+]([O-])c1ccc(CNC[C@H](CO)Cc2cc(Br)ccc2F)cc1 ZINC000449601804 566582502 /nfs/dbraw/zinc/58/25/02/566582502.db2.gz SGHQVJAEHWDLKC-CYBMUJFWSA-N 0 3 397.244 3.437 20 5 GGBDHN CNC(=O)C[C@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000449604745 566583884 /nfs/dbraw/zinc/58/38/84/566583884.db2.gz ULAOUUXONZAUPT-JTQLQIEISA-N 0 3 396.241 3.232 20 5 GGBDHN O=[N+]([O-])c1cccc(CCNCc2cn3ccc(Br)cc3n2)c1 ZINC000579217465 566589506 /nfs/dbraw/zinc/58/95/06/566589506.db2.gz XEXWVNSEUZIJEO-UHFFFAOYSA-N 0 3 375.226 3.337 20 5 GGBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000540470657 566651719 /nfs/dbraw/zinc/65/17/19/566651719.db2.gz NSOHNKBWRCLWMW-KRWDZBQOSA-N 0 3 383.539 3.262 20 5 GGBDHN CC(C)[NH+](CCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000467785024 566666757 /nfs/dbraw/zinc/66/67/57/566666757.db2.gz CHZKLKXCAXGXML-UHFFFAOYSA-N 0 3 377.894 3.035 20 5 GGBDHN C[C@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000561335128 566695514 /nfs/dbraw/zinc/69/55/14/566695514.db2.gz LKXQTZZOVDPVKI-WFASDCNBSA-N 0 3 387.311 3.364 20 5 GGBDHN CN(CCCN(C)c1ncc([N+](=O)[O-])cc1Br)Cc1ccco1 ZINC000561408199 566702858 /nfs/dbraw/zinc/70/28/58/566702858.db2.gz JXGMUFTVWNGDIO-UHFFFAOYSA-N 0 3 383.246 3.304 20 5 GGBDHN CC(C)(O)CN(Cc1ccc(Br)cc1[N+](=O)[O-])C1CCOCC1 ZINC000580545949 566702990 /nfs/dbraw/zinc/70/29/90/566702990.db2.gz AUBLOTBNVABEEB-UHFFFAOYSA-N 0 3 387.274 3.109 20 5 GGBDHN CCCCN(CCCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000580861859 566729523 /nfs/dbraw/zinc/72/95/23/566729523.db2.gz TUYJJQPGWCMPNT-UHFFFAOYSA-N 0 3 392.237 3.184 20 5 GGBDHN C[C@H](NC[C@H](O)COc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000451096970 566755542 /nfs/dbraw/zinc/75/55/42/566755542.db2.gz CTNVMGNXLOPXMC-LRDDRELGSA-N 0 3 395.253 3.448 20 5 GGBDHN O=[N+]([O-])c1ccc(CCN2CCC(n3cc(Br)cn3)CC2)cc1 ZINC000609464307 566764887 /nfs/dbraw/zinc/76/48/87/566764887.db2.gz JZJCHGXJOVYJID-UHFFFAOYSA-N 0 3 379.258 3.433 20 5 GGBDHN O=[N+]([O-])c1cccc(OCCN[C@@H](CO)c2ccc(Br)cc2)c1 ZINC000541983729 566765464 /nfs/dbraw/zinc/76/54/64/566765464.db2.gz RRBDCMXRHNKDQD-INIZCTEOSA-N 0 3 381.226 3.059 20 5 GGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1cc(Cl)sc1Cl ZINC000581879679 566811361 /nfs/dbraw/zinc/81/13/61/566811361.db2.gz UZEKTRAUMFDIKE-JTQLQIEISA-N 0 3 377.249 3.493 20 5 GGBDHN CN(C)CCN(Cc1cccs1)c1ncc([N+](=O)[O-])cc1Br ZINC000470042768 566840864 /nfs/dbraw/zinc/84/08/64/566840864.db2.gz NVCUFTOHDRSTNC-UHFFFAOYSA-N 0 3 385.287 3.382 20 5 GGBDHN O=[N+]([O-])c1ccc(CNC[C@H](CO)Cc2ccc(Br)cc2)cc1 ZINC000428532073 566852540 /nfs/dbraw/zinc/85/25/40/566852540.db2.gz GGAISLREZAOTIS-OAHLLOKOSA-N 0 3 379.254 3.298 20 5 GGBDHN O=[N+]([O-])c1cc(CNC[C@H](CO)Cc2ccccc2Br)cs1 ZINC000428536761 566852851 /nfs/dbraw/zinc/85/28/51/566852851.db2.gz JXYRBXIHIFSVQC-LLVKDONJSA-N 0 3 385.283 3.360 20 5 GGBDHN O=[N+]([O-])c1cccc(CNC[C@@H](CO)Cc2ccc(Br)cc2)c1 ZINC000428530072 566853137 /nfs/dbraw/zinc/85/31/37/566853137.db2.gz CIUYTLBWWDECIL-HNNXBMFYSA-N 0 3 379.254 3.298 20 5 GGBDHN Cc1c(Br)cc(C(=O)NC[C@@H]2CCCCN2C2CC2)cc1[N+](=O)[O-] ZINC000470170413 566853384 /nfs/dbraw/zinc/85/33/84/566853384.db2.gz UNFOZLSPXHKDDU-AWEZNQCLSA-N 0 3 396.285 3.412 20 5 GGBDHN C[C@H]1COCCN1C1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000582428801 566861905 /nfs/dbraw/zinc/86/19/05/566861905.db2.gz ZXNAVJIKRPDSTA-ZDUSSCGKSA-N 0 3 398.301 3.042 20 5 GGBDHN CN(C)CCN(Cc1ccc(Br)cc1)c1ncccc1[N+](=O)[O-] ZINC000470454175 566875065 /nfs/dbraw/zinc/87/50/65/566875065.db2.gz ZXWMMSUYRUCOIT-UHFFFAOYSA-N 0 3 379.258 3.321 20 5 GGBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCCCC[NH+]1CCCCC1 ZINC000518447099 566884955 /nfs/dbraw/zinc/88/49/55/566884955.db2.gz WISYVDSCHACZAT-UHFFFAOYSA-N 0 3 389.905 3.183 20 5 GGBDHN C[C@@H](CS(=O)(=O)c1ccccc1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543635418 566894182 /nfs/dbraw/zinc/89/41/82/566894182.db2.gz ABYBKMCYMSGNGJ-ZDUSSCGKSA-N 0 3 382.869 3.243 20 5 GGBDHN O=[N+]([O-])c1ccc(CCN[C@@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000428992625 566897271 /nfs/dbraw/zinc/89/72/71/566897271.db2.gz KIXIUTWGIFTCBC-INIZCTEOSA-N 0 3 383.217 3.362 20 5 GGBDHN O=[N+]([O-])c1ccc(CCN[C@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000428992627 566897291 /nfs/dbraw/zinc/89/72/91/566897291.db2.gz KIXIUTWGIFTCBC-MRXNPFEDSA-N 0 3 383.217 3.362 20 5 GGBDHN CN(C)C1(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CCCCCC1 ZINC000611267824 566905352 /nfs/dbraw/zinc/90/53/52/566905352.db2.gz RQHYFVGDGDVYIG-UHFFFAOYSA-N 0 3 375.516 3.126 20 5 GGBDHN O=[N+]([O-])c1ccc(OCCN[C@@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000429033422 566905394 /nfs/dbraw/zinc/90/53/94/566905394.db2.gz FAOGCBRCSWVZAE-INIZCTEOSA-N 0 3 399.216 3.198 20 5 GGBDHN CN(CCc1ccncc1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000518840972 566906377 /nfs/dbraw/zinc/90/63/77/566906377.db2.gz BYGXOVXXSQWOCR-UHFFFAOYSA-N 0 3 397.216 3.269 20 5 GGBDHN CC1(C)Cc2c(cccc2Br)[C@@H]1NCCn1ccc([N+](=O)[O-])n1 ZINC000429411737 566929093 /nfs/dbraw/zinc/92/90/93/566929093.db2.gz WPCUKEMDSZBRIB-HNNXBMFYSA-N 0 3 379.258 3.467 20 5 GGBDHN COc1ccc([C@@H](C)NCCn2c(C)ncc2[N+](=O)[O-])cc1Br ZINC000611621490 566932170 /nfs/dbraw/zinc/93/21/70/566932170.db2.gz BWSIBUSPGTXALJ-SNVBAGLBSA-N 0 3 383.246 3.222 20 5 GGBDHN CN(Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000583662450 566971278 /nfs/dbraw/zinc/97/12/78/566971278.db2.gz DFHPAHQIMTUQQR-LLVKDONJSA-N 0 3 378.235 3.137 20 5 GGBDHN CC(C)(C)C[C@H](CO)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000564410508 566974621 /nfs/dbraw/zinc/97/46/21/566974621.db2.gz QAYJGEGCDDVPBG-GFCCVEGCSA-N 0 3 392.237 3.086 20 5 GGBDHN CN(CCc1ccccn1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000520292045 566996119 /nfs/dbraw/zinc/99/61/19/566996119.db2.gz NUJJYPSGJNLGFI-UHFFFAOYSA-N 0 3 397.216 3.269 20 5 GGBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000564862440 567014747 /nfs/dbraw/zinc/01/47/47/567014747.db2.gz DBVLDLQAZUKNLT-DLBZAZTESA-N 0 3 380.853 3.168 20 5 GGBDHN Cc1ccc([C@@H](C)NCCn2cc(Br)ccc2=O)cc1[N+](=O)[O-] ZINC000453240478 567064766 /nfs/dbraw/zinc/06/47/66/567064766.db2.gz CLEAUVFBVSIXLA-GFCCVEGCSA-N 0 3 380.242 3.178 20 5 GGBDHN O=c1ccc(Br)cn1CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453243547 567066770 /nfs/dbraw/zinc/06/67/70/567066770.db2.gz GPUVKJXLZHIYRV-INIZCTEOSA-N 0 3 392.253 3.186 20 5 GGBDHN CCN1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000585699213 567079301 /nfs/dbraw/zinc/07/93/01/567079301.db2.gz RLDZBKFJWQGOOF-GFCCVEGCSA-N 0 3 384.274 3.270 20 5 GGBDHN CCN1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000585699214 567080257 /nfs/dbraw/zinc/08/02/57/567080257.db2.gz RLDZBKFJWQGOOF-LBPRGKRZSA-N 0 3 384.274 3.270 20 5 GGBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000585700288 567080845 /nfs/dbraw/zinc/08/08/45/567080845.db2.gz LADKLNPGNFCGLC-OLZOCXBDSA-N 0 3 396.285 3.365 20 5 GGBDHN C[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)N1CCCC[C@@H]1C ZINC000431641685 567099614 /nfs/dbraw/zinc/09/96/14/567099614.db2.gz WQBBYTSTIYAHIE-NWDGAFQWSA-N 0 3 384.274 3.350 20 5 GGBDHN NC(=O)[C@H](Cc1ccc(Cl)cc1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000546885832 567167895 /nfs/dbraw/zinc/16/78/95/567167895.db2.gz MYYQSXDZDBCOMD-HNNXBMFYSA-N 0 3 382.247 3.130 20 5 GGBDHN CCN(Cc1cc(I)cc([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000589252258 567169779 /nfs/dbraw/zinc/16/97/79/567169779.db2.gz QFPATUHEUBDNDF-NSHDSACASA-N 0 3 390.221 3.058 20 5 GGBDHN O=[N+]([O-])c1cc(I)cc(CN[C@H]2CCC(F)(F)C2)c1 ZINC000589315656 567175548 /nfs/dbraw/zinc/17/55/48/567175548.db2.gz MSEXNQZVSGVMBL-JTQLQIEISA-N 0 3 382.148 3.477 20 5 GGBDHN CSC1(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CCN(C)CC1 ZINC000589477719 567180364 /nfs/dbraw/zinc/18/03/64/567180364.db2.gz HKDHAUCMEZCJNQ-ZDUSSCGKSA-N 0 3 383.539 3.019 20 5 GGBDHN CCN(C)CCNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000498752557 567200157 /nfs/dbraw/zinc/20/01/57/567200157.db2.gz HTQWJAJUCXBKFT-UHFFFAOYSA-N 0 3 380.495 3.192 20 5 GGBDHN O=C(CN[C@@H]1CC2CCC1CC2)Nc1ccc([N+](=O)[O-])cc1Br ZINC000433062110 567219197 /nfs/dbraw/zinc/21/91/97/567219197.db2.gz MZOXABMHOAKISO-QKFMDRJYSA-N 0 3 382.258 3.464 20 5 GGBDHN O=[N+]([O-])c1cc(I)cc(CNCCOc2ccccc2)c1 ZINC000567284429 567232835 /nfs/dbraw/zinc/23/28/35/567232835.db2.gz OLKZNUYIMNLUSK-UHFFFAOYSA-N 0 3 398.200 3.368 20 5 GGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3C[C@H](F)CN3)o2)c(Br)c1 ZINC000591281914 567271384 /nfs/dbraw/zinc/27/13/84/567271384.db2.gz VFWAWEKMEHUVQM-QWRGUYRKSA-N 0 3 398.232 3.407 20 5 GGBDHN CN1CC[C@@H]2CN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])C[C@@H]21 ZINC000567840014 567283104 /nfs/dbraw/zinc/28/31/04/567283104.db2.gz LRBPGIABXRDVQV-BMIGLBTASA-N 0 3 377.242 3.046 20 5 GGBDHN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1cnc2c(c1)CNCC2 ZINC000591681307 567292060 /nfs/dbraw/zinc/29/20/60/567292060.db2.gz CVJQWSVMXQIERB-UHFFFAOYSA-N 0 3 378.841 3.020 20 5 GGBDHN CCN(CC)[C@H](CNc1c(Br)cncc1[N+](=O)[O-])c1ccco1 ZINC000500260080 567311236 /nfs/dbraw/zinc/31/12/36/567311236.db2.gz FGBALESZGDISFT-GFCCVEGCSA-N 0 3 383.246 3.262 20 5 GGBDHN Cc1c(Br)cc(C(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000568676738 567347636 /nfs/dbraw/zinc/34/76/36/567347636.db2.gz OEDREANBTAAZQY-SWLSCSKDSA-N 0 3 396.285 3.365 20 5 GGBDHN Cc1c(NC(=O)N[C@H]2CCCN(C)[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000435326246 567356273 /nfs/dbraw/zinc/35/62/73/567356273.db2.gz CEHFQVFDMCUOCO-JQWIXIFHSA-N 0 3 385.262 3.270 20 5 GGBDHN Cc1sc(S(=O)(=O)NC[C@@H]2CCCN2C2CCCCC2)cc1[N+](=O)[O-] ZINC000435632444 567381590 /nfs/dbraw/zinc/38/15/90/567381590.db2.gz OJRGFIRCLAFZDU-AWEZNQCLSA-N 0 3 387.527 3.040 20 5 GGBDHN O=[N+]([O-])c1cnc2ccc(Br)cc2c1NC1CCN(C2CC2)CC1 ZINC000502105485 567420091 /nfs/dbraw/zinc/42/00/91/567420091.db2.gz ALPJAEHNRQXZPR-UHFFFAOYSA-N 0 3 391.269 3.366 20 5 GGBDHN CCN1CCC[C@H]1CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000502099258 567420365 /nfs/dbraw/zinc/42/03/65/567420365.db2.gz PLSVQRDBRMYLSG-LBPRGKRZSA-N 0 3 379.258 3.224 20 5 GGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H](CO)CCF)o2)c(Br)c1 ZINC000593690410 567434588 /nfs/dbraw/zinc/43/45/88/567434588.db2.gz YHUCRCKSEZJLSY-JTQLQIEISA-N 0 3 387.205 3.427 20 5 GGBDHN C[C@H](COCC1CC1)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000593682538 567434616 /nfs/dbraw/zinc/43/46/16/567434616.db2.gz SQMKHXRIQZNYJA-SNVBAGLBSA-N 0 3 390.221 3.104 20 5 GGBDHN CC[C@H](C)[C@](C)(O)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000569861001 567437562 /nfs/dbraw/zinc/43/75/62/567437562.db2.gz PDYUDMDXXPQUOL-IINYFYTJSA-N 0 3 392.237 3.086 20 5 GGBDHN CC[C@@H](C)[C@](C)(O)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000569861002 567437885 /nfs/dbraw/zinc/43/78/85/567437885.db2.gz PDYUDMDXXPQUOL-QMTHXVAHSA-N 0 3 392.237 3.086 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000457090202 567437910 /nfs/dbraw/zinc/43/79/10/567437910.db2.gz LTVVBKZJGZTPGY-LBPRGKRZSA-N 0 3 384.274 3.220 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H](CC(C)C)N(C)C ZINC000550291417 567438296 /nfs/dbraw/zinc/43/82/96/567438296.db2.gz BLYAIUBHZYGMAP-ZDUSSCGKSA-N 0 3 386.290 3.372 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC(C)(C)CN1CCCC1 ZINC000457086270 567438368 /nfs/dbraw/zinc/43/83/68/567438368.db2.gz OXJWKRBMDHZARR-UHFFFAOYSA-N 0 3 384.274 3.270 20 5 GGBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594199440 567464568 /nfs/dbraw/zinc/46/45/68/567464568.db2.gz ZKSKLDRTZMLXRT-JKSUJKDBSA-N 0 3 396.285 3.033 20 5 GGBDHN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594196668 567465407 /nfs/dbraw/zinc/46/54/07/567465407.db2.gz LJZOOVOYOFYKMX-ZIAGYGMSSA-N 0 3 383.901 3.473 20 5 GGBDHN CN1CCN(CCC(C)(C)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000619587464 567468420 /nfs/dbraw/zinc/46/84/20/567468420.db2.gz ZVSMHYUGQOJJTG-UHFFFAOYSA-N 0 3 385.306 3.185 20 5 GGBDHN C[C@H](N[C@@H]1CCC[C@H]1OC(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000503526112 567491433 /nfs/dbraw/zinc/49/14/33/567491433.db2.gz MMDJPAOGQHSFSF-ZEGGKSINSA-N 0 3 377.775 3.325 20 5 GGBDHN Cc1c(Cl)cc(S(=O)(=O)N(C)CCN(C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000503985917 567516484 /nfs/dbraw/zinc/51/64/84/567516484.db2.gz YOUWMTLJPKWWNR-UHFFFAOYSA-N 0 3 391.921 3.296 20 5 GGBDHN CN(Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H](CO)C(C)(C)C ZINC000571366138 567556118 /nfs/dbraw/zinc/55/61/18/567556118.db2.gz YQVBNXXWHSSJPG-ZDUSSCGKSA-N 0 3 392.237 3.038 20 5 GGBDHN Cc1c(Br)cc(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000552337685 567579070 /nfs/dbraw/zinc/57/90/70/567579070.db2.gz XQAHDRLFHJGDJB-FZMZJTMJSA-N 0 3 396.285 3.365 20 5 GGBDHN CN1CCC[C@@]2(CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000505663259 567590041 /nfs/dbraw/zinc/59/00/41/567590041.db2.gz YHLYOZMTQHBFFM-QGZVFWFLSA-N 0 3 383.901 3.285 20 5 GGBDHN CN1CCN(CC2CCN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000553001456 567620484 /nfs/dbraw/zinc/62/04/84/567620484.db2.gz AGAJFHPDBQSQGA-UHFFFAOYSA-N 0 3 387.311 3.365 20 5 GGBDHN O=[N+]([O-])c1ccc(CNC[C@H](CO)Cc2cc(F)cc(Br)c2)cc1 ZINC000459685489 567650580 /nfs/dbraw/zinc/65/05/80/567650580.db2.gz ASVYDWNYLLTQAM-CQSZACIVSA-N 0 3 397.244 3.437 20 5 GGBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000507081865 567658171 /nfs/dbraw/zinc/65/81/71/567658171.db2.gz BVFQJVAIEMMBGA-GOEBONIOSA-N 0 3 383.539 3.215 20 5 GGBDHN C[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000507276650 567673162 /nfs/dbraw/zinc/67/31/62/567673162.db2.gz GFGFHSJHULWGAM-GFCCVEGCSA-N 0 3 389.905 3.037 20 5 GGBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000573116826 567689310 /nfs/dbraw/zinc/68/93/10/567689310.db2.gz CMEFVWYNNJBJAS-ZDUSSCGKSA-N 0 3 389.283 3.256 20 5 GGBDHN O=[N+]([O-])c1ccn(CCN[C@@H](c2cc(F)cc(Br)c2)C2CC2)n1 ZINC000481723595 567697991 /nfs/dbraw/zinc/69/79/91/567697991.db2.gz LMXALPYJIFRURU-OAHLLOKOSA-N 0 3 383.221 3.434 20 5 GGBDHN O=[N+]([O-])c1ccn(CCN[C@H](c2cc(F)cc(Br)c2)C2CC2)n1 ZINC000481723594 567698865 /nfs/dbraw/zinc/69/88/65/567698865.db2.gz LMXALPYJIFRURU-HNNXBMFYSA-N 0 3 383.221 3.434 20 5 GGBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000554128685 567710793 /nfs/dbraw/zinc/71/07/93/567710793.db2.gz QFZDRTPXSUIFFU-HUBLWGQQSA-N 0 3 396.285 3.160 20 5 GGBDHN C[C@H](CN1CCC(C)CC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000598262884 567752459 /nfs/dbraw/zinc/75/24/59/567752459.db2.gz NHDAWBYIRNUYKL-CYBMUJFWSA-N 0 3 398.301 3.136 20 5 GGBDHN CC(C)N(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(Br)cc1 ZINC000534134905 567801116 /nfs/dbraw/zinc/80/11/16/567801116.db2.gz XIFROHJWZBFMNN-UHFFFAOYSA-N 0 3 394.269 3.430 20 5 GGBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599147913 567807824 /nfs/dbraw/zinc/80/78/24/567807824.db2.gz SZQZHORJQNZCJC-RYUDHWBXSA-N 0 3 384.274 3.208 20 5 GGBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599147912 567807992 /nfs/dbraw/zinc/80/79/92/567807992.db2.gz SZQZHORJQNZCJC-NWDGAFQWSA-N 0 3 384.274 3.208 20 5 GGBDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599152104 567808099 /nfs/dbraw/zinc/80/80/99/567808099.db2.gz FMOSJDLIPWIXGQ-JHJVBQTASA-N 0 3 398.301 3.454 20 5 GGBDHN CC(C)c1ccc(C[NH2+]CCOc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000820192373 599451755 /nfs/dbraw/zinc/45/17/55/599451755.db2.gz LIRNLHSNVQQSQF-UHFFFAOYSA-N 0 3 382.424 3.067 20 5 GGBDHN O=[N+]([O-])c1cc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)ccc1-c1nnn[n-]1 ZINC000823634193 606645259 /nfs/dbraw/zinc/64/52/59/606645259.db2.gz CJVKVVZLFOBDQO-KRWDZBQOSA-N 0 3 379.424 3.024 20 5 GGBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824412848 609247925 /nfs/dbraw/zinc/24/79/25/609247925.db2.gz GWNKUKRSUTUFGU-CQSZACIVSA-N 0 3 378.436 3.375 20 5 GGBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824412848 609247927 /nfs/dbraw/zinc/24/79/27/609247927.db2.gz GWNKUKRSUTUFGU-CQSZACIVSA-N 0 3 378.436 3.375 20 5 GGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN(Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000053233886 1406337392 /nfs/dbraw/zinc/33/73/92/1406337392.db2.gz VREBHNUHJDBLKK-FPOVZHCZSA-N 0 3 386.448 3.016 20 5 GGBDHN CN(Cc1ccccc1N1CCCC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000053419984 1406390662 /nfs/dbraw/zinc/39/06/62/1406390662.db2.gz XVRHFXCTNBOYEK-IBGZPJMESA-N 0 3 385.464 3.067 20 5 GGBDHN C[C@H](Nc1ccc(C(=O)NCCN2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000053514619 1406421878 /nfs/dbraw/zinc/42/18/78/1406421878.db2.gz OSTJQFVRVHPRGG-INIZCTEOSA-N 0 3 397.479 3.379 20 5 GGBDHN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC2CCN(C)CC2)cc1 ZINC000054147911 1406631316 /nfs/dbraw/zinc/63/13/16/1406631316.db2.gz KSOUGNKTPSEZST-UHFFFAOYSA-N 0 3 385.420 3.220 20 5 GGBDHN CN(CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)Cc1ccccc1 ZINC000054281606 1406677668 /nfs/dbraw/zinc/67/76/68/1406677668.db2.gz FXLAEORTSNIRNP-UHFFFAOYSA-N 0 3 396.491 3.059 20 5 GGBDHN Cc1c(C(=O)NCCCCN2CCN(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000054573802 1406772528 /nfs/dbraw/zinc/77/25/28/1406772528.db2.gz LGVPZUSNFZSAHH-UHFFFAOYSA-N 0 3 396.491 3.235 20 5 GGBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@H](c1cccs1)N1CCCC1 ZINC000054645688 1406795269 /nfs/dbraw/zinc/79/52/69/1406795269.db2.gz WXZYUDJSJUPLPQ-QGZVFWFLSA-N 0 3 388.493 3.335 20 5 GGBDHN CN(C)Cc1ccccc1CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000006992975 1398582576 /nfs/dbraw/zinc/58/25/76/1398582576.db2.gz TYOXLUYANJOXDE-UHFFFAOYSA-N 0 3 396.491 3.189 20 5 GGBDHN CN(C)[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000016599304 1399252206 /nfs/dbraw/zinc/25/22/06/1399252206.db2.gz AHSQSBHJSLNZBK-FQEVSTJZSA-N 0 3 382.464 3.228 20 5 GGBDHN CN(C)[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000022682047 1399490408 /nfs/dbraw/zinc/49/04/08/1399490408.db2.gz WEACRODCUBHZCF-LJQANCHMSA-N 0 3 396.491 3.098 20 5 GGBDHN CCN(CC)[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000022700559 1399492930 /nfs/dbraw/zinc/49/29/30/1399492930.db2.gz QUKIGFBWPWHPQC-FQEVSTJZSA-N 0 3 385.464 3.345 20 5 GGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000025499726 1399813731 /nfs/dbraw/zinc/81/37/31/1399813731.db2.gz NLMKSSYEBGXHHW-MRXNPFEDSA-N 0 3 395.381 3.445 20 5 GGBDHN O=[N+]([O-])c1cccc(-c2noc(CN3CCCN(Cc4ccccc4)CC3)n2)c1 ZINC000025934258 1399848163 /nfs/dbraw/zinc/84/81/63/1399848163.db2.gz QYVJECSRQJHACY-UHFFFAOYSA-N 0 3 393.447 3.353 20 5 GGBDHN CN(Cc1ccc(OC(F)F)cc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026712806 1399924940 /nfs/dbraw/zinc/92/49/40/1399924940.db2.gz HGGFPNXVXJSDCU-HNNXBMFYSA-N 0 3 382.363 3.068 20 5 GGBDHN Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H](c2cccs2)N(C)C)c1[N+](=O)[O-] ZINC000028619952 1400177755 /nfs/dbraw/zinc/17/77/55/1400177755.db2.gz AAJHFJSGFCSJGK-CYBMUJFWSA-N 0 3 380.426 3.080 20 5 GGBDHN C[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1OC(F)F ZINC000028922051 1400211767 /nfs/dbraw/zinc/21/17/67/1400211767.db2.gz LYKWUCNPANLCSQ-TZMCWYRMSA-N 0 3 382.363 3.287 20 5 GGBDHN COc1cc(CN2CCN(C3CCCC3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000028967282 1400217492 /nfs/dbraw/zinc/21/74/92/1400217492.db2.gz MCAYYCMZZMZCQR-UHFFFAOYSA-N 0 3 385.411 3.265 20 5 GGBDHN CN(C)[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1Cl ZINC000029051842 1400230655 /nfs/dbraw/zinc/23/06/55/1400230655.db2.gz VLEPYOQWBOWXPB-MRXNPFEDSA-N 0 3 387.827 3.157 20 5 GGBDHN CSc1ccc(C(=O)NCCCN2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000029837720 1400360262 /nfs/dbraw/zinc/36/02/62/1400360262.db2.gz WVBOBGCYNKLVSX-UHFFFAOYSA-N 0 3 385.489 3.495 20 5 GGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000043148878 1403720487 /nfs/dbraw/zinc/72/04/87/1403720487.db2.gz ARZGCCVKVOLBEP-UHFFFAOYSA-N 0 3 378.498 3.386 20 5 GGBDHN CN(Cc1ccccc1C(F)(F)F)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000043644405 1403795732 /nfs/dbraw/zinc/79/57/32/1403795732.db2.gz QOHXWKZMSHOWPK-HNNXBMFYSA-N 0 3 384.354 3.485 20 5 GGBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C(C)C)N1CCc2ccccc2C1 ZINC000045457888 1404125463 /nfs/dbraw/zinc/12/54/63/1404125463.db2.gz FBCHGFHSBKHSLF-FQEVSTJZSA-N 0 3 382.464 3.111 20 5 GGBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000045528237 1404139337 /nfs/dbraw/zinc/13/93/37/1404139337.db2.gz OYCXEZJSFNVOHV-IBGZPJMESA-N 0 3 382.464 3.178 20 5 GGBDHN Cc1ccccc1CN1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000045799584 1404207880 /nfs/dbraw/zinc/20/78/80/1404207880.db2.gz BGXHYCHQPMTMEP-UHFFFAOYSA-N 0 3 382.464 3.050 20 5 GGBDHN CCN1CCN(Cc2ccc(CNC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000046120901 1404304002 /nfs/dbraw/zinc/30/40/02/1404304002.db2.gz PPEOPODJGWBFEJ-UHFFFAOYSA-N 0 3 397.479 3.054 20 5 GGBDHN Nc1c(C(=O)Nc2ccc(CCN3CCSCC3)cc2)cccc1[N+](=O)[O-] ZINC000176275900 1428215448 /nfs/dbraw/zinc/21/54/48/1428215448.db2.gz GDAGSSLEITWTGW-UHFFFAOYSA-N 0 3 386.477 3.021 20 5 GGBDHN CCN(CC)[C@H](CNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000048849783 1405306828 /nfs/dbraw/zinc/30/68/28/1405306828.db2.gz LEZILNXQWOLBIV-LJQANCHMSA-N 0 3 398.463 3.041 20 5 GGBDHN CCN(CC)[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000048850799 1405308096 /nfs/dbraw/zinc/30/80/96/1405308096.db2.gz JDCLSFIXSDRETD-LJQANCHMSA-N 0 3 398.463 3.041 20 5 GGBDHN COc1cc(CN(C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)ccc1SC ZINC000058528843 1407840972 /nfs/dbraw/zinc/84/09/72/1407840972.db2.gz OZLPRRARHLDFLZ-INIZCTEOSA-N 0 3 392.477 3.197 20 5 GGBDHN Cc1ccc(C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000060167923 1407945037 /nfs/dbraw/zinc/94/50/37/1407945037.db2.gz CUXPRGVMHPPTLF-UHFFFAOYSA-N 0 3 377.391 3.385 20 5 GGBDHN Cc1ccc([C@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000061502466 1408138977 /nfs/dbraw/zinc/13/89/77/1408138977.db2.gz PBCMPNVKEGZSHA-FQEVSTJZSA-N 0 3 382.464 3.268 20 5 GGBDHN Cc1ccc([C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 ZINC000061503255 1408139179 /nfs/dbraw/zinc/13/91/79/1408139179.db2.gz LEJMEQBUEZPORL-HXUWFJFHSA-N 0 3 383.448 3.235 20 5 GGBDHN C[C@@H]1CN(CCC2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)C[C@@H](C)O1 ZINC000176393775 1428296761 /nfs/dbraw/zinc/29/67/61/1428296761.db2.gz ZDRYNRZJNGGPBB-HZPDHXFCSA-N 0 3 390.484 3.338 20 5 GGBDHN C[C@@H]1CN(CCC2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000176393739 1428296986 /nfs/dbraw/zinc/29/69/86/1428296986.db2.gz ZDRYNRZJNGGPBB-IYBDPMFKSA-N 0 3 390.484 3.338 20 5 GGBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000062499659 1408270044 /nfs/dbraw/zinc/27/00/44/1408270044.db2.gz OKXOWMJBBBOWNH-UHFFFAOYSA-N 0 3 388.443 3.050 20 5 GGBDHN C[C@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000064113296 1408485653 /nfs/dbraw/zinc/48/56/53/1408485653.db2.gz HCTNUMUMUXIKEV-HUUCEWRRSA-N 0 3 385.468 3.234 20 5 GGBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCN(CC4CCCCC4)CC3)o2)cc1 ZINC000064129848 1408491399 /nfs/dbraw/zinc/49/13/99/1408491399.db2.gz PSSSRFAMBHQRJV-UHFFFAOYSA-N 0 3 385.468 3.343 20 5 GGBDHN O=C(NC1CC1)c1ccc(N2CCN(CC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000064129165 1408492038 /nfs/dbraw/zinc/49/20/38/1408492038.db2.gz IWOHGXOWIJGTCB-UHFFFAOYSA-N 0 3 386.496 3.189 20 5 GGBDHN O=[N+]([O-])c1ccc(-c2noc(CN3CCN(CC4CCCCC4)CC3)n2)cc1 ZINC000064130563 1408492428 /nfs/dbraw/zinc/49/24/28/1408492428.db2.gz SORQZHMPMVEDHQ-UHFFFAOYSA-N 0 3 385.468 3.343 20 5 GGBDHN O=[N+]([O-])c1ccc(OCCCN2CCN(CCc3cccs3)CC2)cc1 ZINC000064352398 1408539066 /nfs/dbraw/zinc/53/90/66/1408539066.db2.gz CZZSFZQXLVIQDF-UHFFFAOYSA-N 0 3 375.494 3.286 20 5 GGBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccccc1CN(C)C ZINC000064418882 1408550096 /nfs/dbraw/zinc/55/00/96/1408550096.db2.gz HMFJOFPIOOBCMW-ZDUSSCGKSA-N 0 3 391.855 3.394 20 5 GGBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000064419193 1408550535 /nfs/dbraw/zinc/55/05/35/1408550535.db2.gz RQLJMJNXBOIESA-DYVFJYSZSA-N 0 3 391.855 3.435 20 5 GGBDHN CN(C)[C@H](CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000064680793 1408595163 /nfs/dbraw/zinc/59/51/63/1408595163.db2.gz RXEDPXBBPXFEPX-LJQANCHMSA-N 0 3 393.447 3.028 20 5 GGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000065302336 1408660228 /nfs/dbraw/zinc/66/02/28/1408660228.db2.gz KTDAIBDBDMDIIH-UHFFFAOYSA-N 0 3 376.457 3.333 20 5 GGBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000065511910 1408681889 /nfs/dbraw/zinc/68/18/89/1408681889.db2.gz CDKVWPLYSUTSGG-LJQANCHMSA-N 0 3 382.464 3.101 20 5 GGBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000065532861 1408684920 /nfs/dbraw/zinc/68/49/20/1408684920.db2.gz UOUZVUDQSJRZCD-INIZCTEOSA-N 0 3 385.468 3.171 20 5 GGBDHN CN(C)CCN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCCC1 ZINC000065746202 1408722779 /nfs/dbraw/zinc/72/27/79/1408722779.db2.gz SVFSOKOEADLYSD-UHFFFAOYSA-N 0 3 385.468 3.117 20 5 GGBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000065931681 1408756886 /nfs/dbraw/zinc/75/68/86/1408756886.db2.gz OITQYVPVJQZLQD-UHFFFAOYSA-N 0 3 388.443 3.126 20 5 GGBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000065937234 1408758392 /nfs/dbraw/zinc/75/83/92/1408758392.db2.gz VLEZTFTUBALLER-UHFFFAOYSA-N 0 3 375.856 3.381 20 5 GGBDHN 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/nfs/dbraw/zinc/04/85/40/1414048540.db2.gz QLGHFGSKBLFJDG-UHFFFAOYSA-N 0 3 396.241 3.154 20 5 GGBDHN O=C(Nc1ccccc1O)C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000121255577 1414060744 /nfs/dbraw/zinc/06/07/44/1414060744.db2.gz LOTANUIEWONIAP-UHFFFAOYSA-N 0 3 385.420 3.030 20 5 GGBDHN CC(C)[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000121513732 1414158204 /nfs/dbraw/zinc/15/82/04/1414158204.db2.gz MUORFAIIXRLJLH-OAQYLSRUSA-N 0 3 399.447 3.316 20 5 GGBDHN COc1ccc(NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000121814148 1414266245 /nfs/dbraw/zinc/26/62/45/1414266245.db2.gz JEOXEFOLLRGPJV-PBHICJAKSA-N 0 3 384.436 3.245 20 5 GGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000122910193 1414594413 /nfs/dbraw/zinc/59/44/13/1414594413.db2.gz YLXSJDKLNZKHTJ-UHFFFAOYSA-N 0 3 390.415 3.338 20 5 GGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000122981576 1414612135 /nfs/dbraw/zinc/61/21/35/1414612135.db2.gz PLERZIAQRNNHKN-UHFFFAOYSA-N 0 3 390.415 3.338 20 5 GGBDHN O=[N+]([O-])c1cc(CNCC2(CO)COC2)ccc1Oc1ccccc1Cl ZINC000123041815 1414625497 /nfs/dbraw/zinc/62/54/97/1414625497.db2.gz YWOCWZXXNNWFCS-UHFFFAOYSA-N 0 3 378.812 3.139 20 5 GGBDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000123746846 1414819368 /nfs/dbraw/zinc/81/93/68/1414819368.db2.gz RDMCBQICZIVIST-SFHVURJKSA-N 0 3 382.464 3.425 20 5 GGBDHN Cn1cc(CNC[C@@H](O)c2c(F)cccc2F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000124000138 1414866291 /nfs/dbraw/zinc/86/62/91/1414866291.db2.gz DJCNIXHROKYNNB-QGZVFWFLSA-N 0 3 388.374 3.097 20 5 GGBDHN O=[N+]([O-])c1ccn(CCN[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)n1 ZINC000124129527 1414891239 /nfs/dbraw/zinc/89/12/39/1414891239.db2.gz PRHSIDSYUSNJIV-SFHVURJKSA-N 0 3 394.410 3.311 20 5 GGBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[C@H]1CCCCN1C ZINC000124331133 1414941461 /nfs/dbraw/zinc/94/14/61/1414941461.db2.gz PKRBUEWVWHGJIG-CYBMUJFWSA-N 0 3 389.905 3.052 20 5 GGBDHN CNC(=O)[C@@H]1CCCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000125036609 1415096533 /nfs/dbraw/zinc/09/65/33/1415096533.db2.gz VHGQFCBGERLHMG-QGZVFWFLSA-N 0 3 382.464 3.321 20 5 GGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(OC3CCCCC3)CC2)c1 ZINC000125488287 1415212827 /nfs/dbraw/zinc/21/28/27/1415212827.db2.gz GAAOQUGDGUOBNV-QGZVFWFLSA-N 0 3 378.469 3.148 20 5 GGBDHN O=[N+]([O-])c1cnn(CCN2CCN(C3c4ccccc4-c4ccccc43)CC2)c1 ZINC000125771889 1415276576 /nfs/dbraw/zinc/27/65/76/1415276576.db2.gz POGVZIUOCMMQSU-UHFFFAOYSA-N 0 3 389.459 3.179 20 5 GGBDHN O=C(NC[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000178056869 1428959573 /nfs/dbraw/zinc/95/95/73/1428959573.db2.gz QLOPUSWORHWVIJ-KRWDZBQOSA-N 0 3 383.448 3.116 20 5 GGBDHN COc1ccc([C@@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C(C)C)cc1 ZINC000127157209 1415674525 /nfs/dbraw/zinc/67/45/25/1415674525.db2.gz AFEHJFRDFGVXKZ-NRFANRHFSA-N 0 3 383.448 3.479 20 5 GGBDHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178064883 1428965614 /nfs/dbraw/zinc/96/56/14/1428965614.db2.gz CUBAKWZXIIOAKQ-OAHLLOKOSA-N 0 3 398.463 3.089 20 5 GGBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000127571552 1415811480 /nfs/dbraw/zinc/81/14/80/1415811480.db2.gz SWVZJTDDXQBESM-CRAIPNDOSA-N 0 3 398.463 3.066 20 5 GGBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000127571041 1415811586 /nfs/dbraw/zinc/81/15/86/1415811586.db2.gz SWVZJTDDXQBESM-QAPCUYQASA-N 0 3 398.463 3.066 20 5 GGBDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000127817514 1415856460 /nfs/dbraw/zinc/85/64/60/1415856460.db2.gz RITHJPJYVFWUDG-IBGZPJMESA-N 0 3 382.464 3.425 20 5 GGBDHN CN(C)CCN(C(=O)c1cc([N+](=O)[O-])ccc1Br)C1CCCC1 ZINC000128065281 1415904725 /nfs/dbraw/zinc/90/47/25/1415904725.db2.gz PVJGBLLYQMVMHN-UHFFFAOYSA-N 0 3 384.274 3.304 20 5 GGBDHN Cc1cccc(C(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000178246395 1429031888 /nfs/dbraw/zinc/03/18/88/1429031888.db2.gz CIAWPSMLYOQRNE-CALCHBBNSA-N 0 3 389.496 3.255 20 5 GGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000178249436 1429033215 /nfs/dbraw/zinc/03/32/15/1429033215.db2.gz ZOJLPLLZHGJHTK-CALCHBBNSA-N 0 3 389.496 3.255 20 5 GGBDHN Cc1sc(C(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000178254581 1429034465 /nfs/dbraw/zinc/03/44/65/1429034465.db2.gz ABTODIHISFRIHK-OKILXGFUSA-N 0 3 395.525 3.316 20 5 GGBDHN CCC1(CC)[C@H](N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@H]1OC ZINC000178365580 1429061545 /nfs/dbraw/zinc/06/15/45/1429061545.db2.gz JFYNJBLVXFYPEN-JCURWCKSSA-N 0 3 379.457 3.114 20 5 GGBDHN COc1ccc(C(=O)N(Cc2ccccc2)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000129054324 1416134463 /nfs/dbraw/zinc/13/44/63/1416134463.db2.gz YXXRYKYKRLGTQB-UHFFFAOYSA-N 0 3 383.448 3.340 20 5 GGBDHN C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@@H]1CN(C)CCO1 ZINC000129339751 1416193503 /nfs/dbraw/zinc/19/35/03/1416193503.db2.gz IEGIODPSMZDZFV-XIKOKIGWSA-N 0 3 379.844 3.317 20 5 GGBDHN Cc1n[nH]c(C)c1[C@@H]1CCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129572244 1416230128 /nfs/dbraw/zinc/23/01/28/1416230128.db2.gz OOCFKWUUCLCYFR-INIZCTEOSA-N 0 3 375.404 3.240 20 5 GGBDHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000129684453 1416248129 /nfs/dbraw/zinc/24/81/29/1416248129.db2.gz JTXPFWLWLDXUEJ-MRXNPFEDSA-N 0 3 395.419 3.392 20 5 GGBDHN Cc1nccn1CCCN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000130349667 1416362669 /nfs/dbraw/zinc/36/26/69/1416362669.db2.gz SGBWUFGECDPQAA-LBPRGKRZSA-N 0 3 379.848 3.102 20 5 GGBDHN Cc1nccn1CCCN(C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000130349910 1416362945 /nfs/dbraw/zinc/36/29/45/1416362945.db2.gz SGBWUFGECDPQAA-GFCCVEGCSA-N 0 3 379.848 3.102 20 5 GGBDHN COc1cc(CN(C)CCCn2ccnc2C)c([N+](=O)[O-])cc1OC(F)F ZINC000130547392 1416397064 /nfs/dbraw/zinc/39/70/64/1416397064.db2.gz RIIONGYDHVHXOS-UHFFFAOYSA-N 0 3 384.383 3.232 20 5 GGBDHN COc1cc(CNCCN2CCCCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000131331001 1416541204 /nfs/dbraw/zinc/54/12/04/1416541204.db2.gz LHOUTOYSBLFRIR-UHFFFAOYSA-N 0 3 391.390 3.120 20 5 GGBDHN COc1ccc(C(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000131966772 1416661648 /nfs/dbraw/zinc/66/16/48/1416661648.db2.gz OKICQJRCRGRBGM-MRXNPFEDSA-N 0 3 383.448 3.340 20 5 GGBDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000131979560 1416665244 /nfs/dbraw/zinc/66/52/44/1416665244.db2.gz BSZCLRDAOWVPRO-KRWDZBQOSA-N 0 3 383.448 3.097 20 5 GGBDHN CC(C)NS(=O)(=O)Cc1ccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178650020 1429129353 /nfs/dbraw/zinc/12/93/53/1429129353.db2.gz GWPZADUBDRCDEF-OAHLLOKOSA-N 0 3 391.493 3.273 20 5 GGBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000133433385 1416889332 /nfs/dbraw/zinc/88/93/32/1416889332.db2.gz YJKDBPQHSUETNA-SFHVURJKSA-N 0 3 385.439 3.305 20 5 GGBDHN C[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N(C)Cc1ccccc1 ZINC000133978686 1417004906 /nfs/dbraw/zinc/00/49/06/1417004906.db2.gz CTEADMDQZCTINF-HNNXBMFYSA-N 0 3 380.448 3.255 20 5 GGBDHN CN(CCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)Cc1ccccc1 ZINC000134177857 1417033711 /nfs/dbraw/zinc/03/37/11/1417033711.db2.gz LQRNCCKVQNBIKZ-UHFFFAOYSA-N 0 3 382.464 3.401 20 5 GGBDHN C[C@@H]1CN(CCC2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000134474566 1417074544 /nfs/dbraw/zinc/07/45/44/1417074544.db2.gz QYYQPZLZKMBSMR-GASCZTMLSA-N 0 3 393.459 3.085 20 5 GGBDHN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000134630328 1417100709 /nfs/dbraw/zinc/10/07/09/1417100709.db2.gz YPXVGXGUAYSPAT-GJZGRUSLSA-N 0 3 379.457 3.351 20 5 GGBDHN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000134630305 1417101394 /nfs/dbraw/zinc/10/13/94/1417101394.db2.gz YPXVGXGUAYSPAT-CABCVRRESA-N 0 3 379.457 3.351 20 5 GGBDHN C[C@@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)N(C)Cc1ccccc1 ZINC000134664134 1417109218 /nfs/dbraw/zinc/10/92/18/1417109218.db2.gz HORGKZXHLVLPOU-INIZCTEOSA-N 0 3 393.447 3.031 20 5 GGBDHN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000134669138 1417110654 /nfs/dbraw/zinc/11/06/54/1417110654.db2.gz YNYMRJXQJABAJI-HUUCEWRRSA-N 0 3 379.457 3.351 20 5 GGBDHN C[C@@H]1CN(CC2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000134766956 1417122699 /nfs/dbraw/zinc/12/26/99/1417122699.db2.gz KSECKVRAHQHCFH-OKILXGFUSA-N 0 3 395.887 3.210 20 5 GGBDHN C[C@@H]1CN(CC2CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000136848459 1417350078 /nfs/dbraw/zinc/35/00/78/1417350078.db2.gz BBADQSFPOGJJMF-ZIAGYGMSSA-N 0 3 395.887 3.210 20 5 GGBDHN C[C@@H]1CN(CC2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC2)C[C@@H](C)O1 ZINC000136849124 1417350207 /nfs/dbraw/zinc/35/02/07/1417350207.db2.gz LFFMOMARRGNCFA-ZIAGYGMSSA-N 0 3 395.887 3.210 20 5 GGBDHN C[C@H]1C[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000137447666 1417385643 /nfs/dbraw/zinc/38/56/43/1417385643.db2.gz RNTYKRNOSFFSQL-WMZOPIPTSA-N 0 3 383.448 3.143 20 5 GGBDHN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(CCN2CCSCC2)cc1 ZINC000138711450 1417436295 /nfs/dbraw/zinc/43/62/95/1417436295.db2.gz NLKQBXYKXVIUKZ-UHFFFAOYSA-N 0 3 385.489 3.367 20 5 GGBDHN C[C@H](NC(=O)OC(C)(C)C)C1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178861499 1429200302 /nfs/dbraw/zinc/20/03/02/1429200302.db2.gz HCTSIHRTOCEMIU-KSSFIOAISA-N 0 3 393.484 3.253 20 5 GGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)C[C@H]1COc2ccccc2O1 ZINC000150136970 1417785407 /nfs/dbraw/zinc/78/54/07/1417785407.db2.gz KAEATUODMHUQBZ-INIZCTEOSA-N 0 3 385.420 3.004 20 5 GGBDHN Cc1nn(Cc2ccccc2Cl)c(C)c1CNCCn1cc([N+](=O)[O-])cn1 ZINC000151284105 1417914986 /nfs/dbraw/zinc/91/49/86/1417914986.db2.gz VTMDVUMWAZTFPQ-UHFFFAOYSA-N 0 3 388.859 3.096 20 5 GGBDHN CN(C(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)[C@H]1CCCN(C)C1 ZINC000151788106 1418086962 /nfs/dbraw/zinc/08/69/62/1418086962.db2.gz XNGLAIBPOHBCFB-IBGZPJMESA-N 0 3 396.447 3.013 20 5 GGBDHN CC(C)NC(=O)c1ccc(NCCCCN2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000151973665 1418109762 /nfs/dbraw/zinc/10/97/62/1418109762.db2.gz SLJSDZQQXSQYEY-HOTGVXAUSA-N 0 3 392.500 3.034 20 5 GGBDHN O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)n2)c1 ZINC000152284810 1418195308 /nfs/dbraw/zinc/19/53/08/1418195308.db2.gz GFHAOQDZLCAXSO-AWEZNQCLSA-N 0 3 395.423 3.020 20 5 GGBDHN O=C(c1ccc(CN2CCC(CO)CC2)cc1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000179238124 1429302504 /nfs/dbraw/zinc/30/25/04/1429302504.db2.gz NUQFGYJGFLPTIC-UHFFFAOYSA-N 0 3 395.459 3.002 20 5 GGBDHN CCOc1ccc([C@@H](C)NCc2ccc(Cn3cncn3)cc2)cc1[N+](=O)[O-] ZINC000179396841 1429358078 /nfs/dbraw/zinc/35/80/78/1429358078.db2.gz YQBOGTJOCWTOOW-OAHLLOKOSA-N 0 3 381.436 3.484 20 5 GGBDHN O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@@H](c4n[nH]c(C5CC5)n4)C3)n2)cc1 ZINC000179508685 1429401434 /nfs/dbraw/zinc/40/14/34/1429401434.db2.gz NHQNXSJBNLTVEV-CQSZACIVSA-N 0 3 395.423 3.020 20 5 GGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCN(CC4CCOCC4)CC3)o2)cc1 ZINC000179625295 1429476634 /nfs/dbraw/zinc/47/66/34/1429476634.db2.gz BCZZJVGLIVFCHG-UHFFFAOYSA-N 0 3 385.464 3.399 20 5 GGBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000179706111 1429515295 /nfs/dbraw/zinc/51/52/95/1429515295.db2.gz CFLBKXUKTKOKJQ-MRXNPFEDSA-N 0 3 393.447 3.031 20 5 GGBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000179717843 1429520548 /nfs/dbraw/zinc/52/05/48/1429520548.db2.gz PPOCFKMYWYHJLI-MRXNPFEDSA-N 0 3 393.447 3.031 20 5 GGBDHN C[C@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000179742644 1429532853 /nfs/dbraw/zinc/53/28/53/1429532853.db2.gz XEFPWUIVXRIIRR-RBZFPXEDSA-N 0 3 397.431 3.434 20 5 GGBDHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000179754675 1429540422 /nfs/dbraw/zinc/54/04/22/1429540422.db2.gz PVYUALXNKSOABD-MRXNPFEDSA-N 0 3 389.477 3.489 20 5 GGBDHN C[C@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000179760098 1429544948 /nfs/dbraw/zinc/54/49/48/1429544948.db2.gz XUHAFJMSTPVXLL-RBZFPXEDSA-N 0 3 397.431 3.434 20 5 GGBDHN O=C(Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])o1 ZINC000152974070 1422312514 /nfs/dbraw/zinc/31/25/14/1422312514.db2.gz BWLYGBKVEQLXDS-OAHLLOKOSA-N 0 3 381.392 3.084 20 5 GGBDHN COc1ccc([C@H](CNc2ncc(Cl)cc2[N+](=O)[O-])N(C)C)cc1OC ZINC000153516723 1422581036 /nfs/dbraw/zinc/58/10/36/1422581036.db2.gz ZKAIGFHQDUPNPX-AWEZNQCLSA-N 0 3 380.832 3.375 20 5 GGBDHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000153601380 1422642062 /nfs/dbraw/zinc/64/20/62/1422642062.db2.gz YQDDAIJFIQMVTL-NRFANRHFSA-N 0 3 394.475 3.500 20 5 GGBDHN Cc1cc(NC(=O)N(C)C2CCN(CCc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000153649632 1422677235 /nfs/dbraw/zinc/67/72/35/1422677235.db2.gz CUWUUBMNVXZYFA-UHFFFAOYSA-N 0 3 397.479 3.469 20 5 GGBDHN Cc1cc(NC(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000153842198 1422793116 /nfs/dbraw/zinc/79/31/16/1422793116.db2.gz ILXKPLGHWIRVBX-IYBDPMFKSA-N 0 3 390.484 3.256 20 5 GGBDHN C[C@@H]1CN(CCC2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000153914046 1422809910 /nfs/dbraw/zinc/80/99/10/1422809910.db2.gz VJSFPTKRZUOKFE-OKILXGFUSA-N 0 3 382.892 3.359 20 5 GGBDHN C[C@H]1CN(CCC2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000153914152 1422809935 /nfs/dbraw/zinc/80/99/35/1422809935.db2.gz VJSFPTKRZUOKFE-KBPBESRZSA-N 0 3 382.892 3.359 20 5 GGBDHN C[C@@H]1CN(CCC2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000153914245 1422810021 /nfs/dbraw/zinc/81/00/21/1422810021.db2.gz VJSFPTKRZUOKFE-ZIAGYGMSSA-N 0 3 382.892 3.359 20 5 GGBDHN C[C@H](Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000153937112 1422813761 /nfs/dbraw/zinc/81/37/61/1422813761.db2.gz BUOOGIIYFPVKOF-RDJZCZTQSA-N 0 3 397.479 3.329 20 5 GGBDHN CCOc1ccc([C@H](C)N[C@@H]2CCN(C(=O)C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000154268029 1422864586 /nfs/dbraw/zinc/86/45/86/1422864586.db2.gz SXGFWSDEVYBWQH-WMLDXEAASA-N 0 3 375.469 3.435 20 5 GGBDHN COc1ccc(CN2CCC[C@H](CO)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000154613427 1422961989 /nfs/dbraw/zinc/96/19/89/1422961989.db2.gz PAFCOMMVVOKQIM-SFHVURJKSA-N 0 3 386.448 3.387 20 5 GGBDHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154640291 1422978396 /nfs/dbraw/zinc/97/83/96/1422978396.db2.gz VAPLUXGFNXAAAA-LESCRADOSA-N 0 3 393.484 3.253 20 5 GGBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@H](Nc2ccccc2)C1 ZINC000154848656 1423054202 /nfs/dbraw/zinc/05/42/02/1423054202.db2.gz LYNOMWXFIVLBAP-KRWDZBQOSA-N 0 3 396.447 3.469 20 5 GGBDHN CC(C)(C)CNC(=O)C(C)(C)NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000155518849 1423396321 /nfs/dbraw/zinc/39/63/21/1423396321.db2.gz UKOVCVLXNPEHAB-UHFFFAOYSA-N 0 3 388.468 3.323 20 5 GGBDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000155522363 1423398209 /nfs/dbraw/zinc/39/82/09/1423398209.db2.gz WVJLZLYBMLFYKY-INIZCTEOSA-N 0 3 397.479 3.134 20 5 GGBDHN C[C@H](c1ccncc1)N1CCC(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000155626925 1423454603 /nfs/dbraw/zinc/45/46/03/1423454603.db2.gz UHOOKEFIBBPOAD-FYCOFBDGSA-N 0 3 380.448 3.345 20 5 GGBDHN Cc1c(CC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000155700993 1423493874 /nfs/dbraw/zinc/49/38/74/1423493874.db2.gz JSKZDDXSMVPDDX-INIZCTEOSA-N 0 3 382.464 3.183 20 5 GGBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000156143788 1423692394 /nfs/dbraw/zinc/69/23/94/1423692394.db2.gz BVHLCICQNXNBMQ-MRXNPFEDSA-N 0 3 385.439 3.399 20 5 GGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1cc(F)ccc1OC ZINC000179960142 1429663605 /nfs/dbraw/zinc/66/36/05/1429663605.db2.gz MVSMOJRWKCTXHD-GFCCVEGCSA-N 0 3 391.399 3.431 20 5 GGBDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000157348716 1423991756 /nfs/dbraw/zinc/99/17/56/1423991756.db2.gz AYJAXHGRGHTNAO-UHFFFAOYSA-N 0 3 398.463 3.079 20 5 GGBDHN O=C(c1ccc(CN2CCC(CO)CC2)cc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000157351509 1423992605 /nfs/dbraw/zinc/99/26/05/1423992605.db2.gz XLYFXTZLKZSUQC-UHFFFAOYSA-N 0 3 395.459 3.002 20 5 GGBDHN COc1cccc([C@@H](O)CN(CCn2cc([N+](=O)[O-])cn2)Cc2ccccc2)c1 ZINC000157664443 1424060997 /nfs/dbraw/zinc/06/09/97/1424060997.db2.gz VGPDNOCJADXLNS-NRFANRHFSA-N 0 3 396.447 3.036 20 5 GGBDHN O=[N+]([O-])c1cnn(CCN2CCC(c3nc4cc(Cl)ccc4o3)CC2)c1 ZINC000157706124 1424069303 /nfs/dbraw/zinc/06/93/03/1424069303.db2.gz WGBGONIVOFFZEA-UHFFFAOYSA-N 0 3 375.816 3.466 20 5 GGBDHN COc1cccc([C@H](O)CN(CCn2ccc([N+](=O)[O-])n2)Cc2ccccc2)c1 ZINC000157781712 1424087365 /nfs/dbraw/zinc/08/73/65/1424087365.db2.gz SCGJQMORUMWASH-HXUWFJFHSA-N 0 3 396.447 3.036 20 5 GGBDHN CC(C)OCCOC[C@@H](O)CN(C)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000158399260 1424245379 /nfs/dbraw/zinc/24/53/79/1424245379.db2.gz MWKSAIFPHLNUPZ-IBGZPJMESA-N 0 3 399.487 3.181 20 5 GGBDHN CCC[C@@H](NCc1cccnc1N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000158489424 1424270522 /nfs/dbraw/zinc/27/05/22/1424270522.db2.gz RWYYTSHIMNTVRN-HXUWFJFHSA-N 0 3 383.496 3.373 20 5 GGBDHN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCC[C@@H](O)C2)cc1 ZINC000158792275 1424343174 /nfs/dbraw/zinc/34/31/74/1424343174.db2.gz ZXTZFRGBAMTLNS-HXUWFJFHSA-N 0 3 378.432 3.404 20 5 GGBDHN CCN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000159555920 1424512787 /nfs/dbraw/zinc/51/27/87/1424512787.db2.gz BEDJGLQQNFPDTI-OAQYLSRUSA-N 0 3 396.491 3.443 20 5 GGBDHN O=c1ccc([N+](=O)[O-])cn1CCN1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000159777148 1424534304 /nfs/dbraw/zinc/53/43/04/1424534304.db2.gz NOZVQFBKGISPDR-OAQYLSRUSA-N 0 3 375.428 3.404 20 5 GGBDHN COc1cc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000161507298 1424696701 /nfs/dbraw/zinc/69/67/01/1424696701.db2.gz YIIVZAIBWUYYDN-UHFFFAOYSA-N 0 3 393.390 3.086 20 5 GGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)[C@H]1COc2ccccc21 ZINC000163050573 1424931134 /nfs/dbraw/zinc/93/11/34/1424931134.db2.gz PJHUYDWYOBPDLS-HEHGZKQESA-N 0 3 385.420 3.085 20 5 GGBDHN CN(C[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1)C(=O)OC(C)(C)C ZINC000170917690 1425390081 /nfs/dbraw/zinc/39/00/81/1425390081.db2.gz IKYBVUMRMGOUFA-OAHLLOKOSA-N 0 3 379.457 3.162 20 5 GGBDHN CN(C[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1)C(=O)OC(C)(C)C ZINC000170919333 1425392643 /nfs/dbraw/zinc/39/26/43/1425392643.db2.gz DZJYIGOCYHFHGE-HNNXBMFYSA-N 0 3 379.457 3.162 20 5 GGBDHN CN(C[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000170919382 1425392904 /nfs/dbraw/zinc/39/29/04/1425392904.db2.gz UOMAHVOSLANGFT-HNNXBMFYSA-N 0 3 379.457 3.162 20 5 GGBDHN CN(C)CCN(Cc1ccccn1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000170949653 1425409311 /nfs/dbraw/zinc/40/93/11/1425409311.db2.gz AQAPEKBEPKVOCO-UHFFFAOYSA-N 0 3 384.461 3.409 20 5 GGBDHN COc1cc(CNCCN2CCCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000171127658 1425496085 /nfs/dbraw/zinc/49/60/85/1425496085.db2.gz FWFCCHFDTYLETK-UHFFFAOYSA-N 0 3 385.464 3.368 20 5 GGBDHN CN(CCNC(=O)c1cc([N+](=O)[O-])ccc1Br)Cc1ccccc1 ZINC000171325542 1425617557 /nfs/dbraw/zinc/61/75/57/1425617557.db2.gz ZPPKKQYOOZIPKT-UHFFFAOYSA-N 0 3 392.253 3.219 20 5 GGBDHN CN(CCCN1CCN(C)CC1)C(=O)c1cc2ccccc2c2cccnc12 ZINC000171786629 1425820288 /nfs/dbraw/zinc/82/02/88/1425820288.db2.gz BFGMZDLQJDZTOO-UHFFFAOYSA-N 0 3 376.504 3.098 20 5 GGBDHN C[C@@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000171881143 1425841541 /nfs/dbraw/zinc/84/15/41/1425841541.db2.gz PFEHRCQBINUXGC-INIZCTEOSA-N 0 3 393.447 3.031 20 5 GGBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1oc2ccccc2c1CN(C)C ZINC000172111739 1425899205 /nfs/dbraw/zinc/89/92/05/1425899205.db2.gz RPIUAYIBCCSIKG-UHFFFAOYSA-N 0 3 383.404 3.341 20 5 GGBDHN CN(C)Cc1ccccc1CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000172268732 1425976071 /nfs/dbraw/zinc/97/60/71/1425976071.db2.gz ADAUDFLDJHRHKU-UHFFFAOYSA-N 0 3 391.855 3.395 20 5 GGBDHN O=C(CCCN1CCN(c2ccccc2)CC1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000172423135 1426037417 /nfs/dbraw/zinc/03/74/17/1426037417.db2.gz AKGAEIHJWRXPAO-UHFFFAOYSA-N 0 3 394.475 3.086 20 5 GGBDHN CCN1CCN(c2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)c(C)c2)CC1 ZINC000172685172 1426142015 /nfs/dbraw/zinc/14/20/15/1426142015.db2.gz RUFUXCOKHILDDT-UHFFFAOYSA-N 0 3 382.464 3.226 20 5 GGBDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000172694384 1426147176 /nfs/dbraw/zinc/14/71/76/1426147176.db2.gz LQPUPKNJHDPYKP-KRWDZBQOSA-N 0 3 382.464 3.401 20 5 GGBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000172694861 1426147626 /nfs/dbraw/zinc/14/76/26/1426147626.db2.gz QOEWGCNCACWDRV-QGZVFWFLSA-N 0 3 382.464 3.401 20 5 GGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)c1 ZINC000173028752 1426315321 /nfs/dbraw/zinc/31/53/21/1426315321.db2.gz RBYWXFAGKPZQPL-UHFFFAOYSA-N 0 3 377.391 3.385 20 5 GGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC000173068792 1426330667 /nfs/dbraw/zinc/33/06/67/1426330667.db2.gz PWAQZBHNQJUQJY-OAQYLSRUSA-N 0 3 396.491 3.012 20 5 GGBDHN CCN1CCN(Cc2ccc(NC(=O)c3cc(C)ccc3[N+](=O)[O-])cc2)CC1 ZINC000173087396 1426336800 /nfs/dbraw/zinc/33/68/00/1426336800.db2.gz JGEYZKUVEGYBMC-UHFFFAOYSA-N 0 3 382.464 3.293 20 5 GGBDHN C[C@H](N[C@@H](C)c1cccc(-n2cccn2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000173202821 1426391189 /nfs/dbraw/zinc/39/11/89/1426391189.db2.gz SVEGUQSIKGJAMX-GJZGRUSLSA-N 0 3 379.420 3.458 20 5 GGBDHN C[C@H](N[C@@H](C)c1cccc(-n2cccn2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000173204305 1426392020 /nfs/dbraw/zinc/39/20/20/1426392020.db2.gz WDGANIXYDHNPJQ-GJZGRUSLSA-N 0 3 379.420 3.458 20 5 GGBDHN C[C@@H](N[C@@H](C)c1cccc(-n2cccn2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000173204337 1426392615 /nfs/dbraw/zinc/39/26/15/1426392615.db2.gz WDGANIXYDHNPJQ-LSDHHAIUSA-N 0 3 379.420 3.458 20 5 GGBDHN C[C@@H](N[C@H](C)c1cccc(-n2cccn2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000173204352 1426392900 /nfs/dbraw/zinc/39/29/00/1426392900.db2.gz WDGANIXYDHNPJQ-HUUCEWRRSA-N 0 3 379.420 3.458 20 5 GGBDHN C[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(-n2cccn2)c1 ZINC000173205986 1426393337 /nfs/dbraw/zinc/39/33/37/1426393337.db2.gz LSKNQSJBQCCKRA-MGPUTAFESA-N 0 3 391.431 3.237 20 5 GGBDHN C[C@@H](NCc1cccc(OCCN2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173353637 1426529595 /nfs/dbraw/zinc/52/95/95/1426529595.db2.gz VYHKEIUXGFWRPJ-QGZVFWFLSA-N 0 3 385.464 3.157 20 5 GGBDHN C[C@H](NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000173435847 1426617156 /nfs/dbraw/zinc/61/71/56/1426617156.db2.gz JRVNWVQTWXOMRR-ZBEGNZNMSA-N 0 3 378.812 3.404 20 5 GGBDHN C[C@@H](NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000173435892 1426617498 /nfs/dbraw/zinc/61/74/98/1426617498.db2.gz JRVNWVQTWXOMRR-BDJLRTHQSA-N 0 3 378.812 3.404 20 5 GGBDHN C[C@@H](NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000173435864 1426617748 /nfs/dbraw/zinc/61/77/48/1426617748.db2.gz JRVNWVQTWXOMRR-BZNIZROVSA-N 0 3 378.812 3.404 20 5 GGBDHN COc1cc(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000173514969 1426685038 /nfs/dbraw/zinc/68/50/38/1426685038.db2.gz LQTPSEGNEDALRB-INIZCTEOSA-N 0 3 383.448 3.340 20 5 GGBDHN C[C@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000173531122 1426705286 /nfs/dbraw/zinc/70/52/86/1426705286.db2.gz IIYAXFTUVUTOFL-KRWDZBQOSA-N 0 3 383.448 3.097 20 5 GGBDHN CN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000174210446 1427052742 /nfs/dbraw/zinc/05/27/42/1427052742.db2.gz JXWNELXBIDKZKU-HXUWFJFHSA-N 0 3 382.464 3.401 20 5 GGBDHN O=c1[nH]c2ccccc2cc1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174243137 1427066501 /nfs/dbraw/zinc/06/65/01/1427066501.db2.gz BBBWCAMJBBTAEC-UHFFFAOYSA-N 0 3 379.416 3.480 20 5 GGBDHN C[C@@H](N[C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000174367962 1427123333 /nfs/dbraw/zinc/12/33/33/1427123333.db2.gz OFGAPYJMMSGOOB-LSDHHAIUSA-N 0 3 379.420 3.458 20 5 GGBDHN C[C@H](N[C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000174367939 1427123430 /nfs/dbraw/zinc/12/34/30/1427123430.db2.gz OFGAPYJMMSGOOB-GJZGRUSLSA-N 0 3 379.420 3.458 20 5 GGBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@H](O)COc3ccc(F)cc3)CC2)cc1 ZINC000174802192 1427376823 /nfs/dbraw/zinc/37/68/23/1427376823.db2.gz NXRKIULBQNOLOL-KRWDZBQOSA-N 0 3 390.411 3.017 20 5 GGBDHN Cc1ccccc1OC[C@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174802896 1427377806 /nfs/dbraw/zinc/37/78/06/1427377806.db2.gz XKUNWDYLCINTRZ-GOSISDBHSA-N 0 3 386.448 3.186 20 5 GGBDHN CN(C)Cc1cccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000174811370 1427381303 /nfs/dbraw/zinc/38/13/03/1427381303.db2.gz LIMTVASWZYQYJS-UHFFFAOYSA-N 0 3 383.448 3.340 20 5 GGBDHN C[C@H]1CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000175267833 1427635899 /nfs/dbraw/zinc/63/58/99/1427635899.db2.gz FSVZMPKPEUZZAQ-KRWDZBQOSA-N 0 3 382.464 3.401 20 5 GGBDHN CC(C)OCCN1CCC(NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000175570945 1427818741 /nfs/dbraw/zinc/81/87/41/1427818741.db2.gz MHGULPQFIWNOLS-UHFFFAOYSA-N 0 3 384.864 3.259 20 5 GGBDHN CN(C)CCN(Cc1cccs1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000175660731 1427847891 /nfs/dbraw/zinc/84/78/91/1427847891.db2.gz PGBXUEDKVGTXLC-UHFFFAOYSA-N 0 3 376.482 3.049 20 5 GGBDHN CN(C)CCN(Cc1cccs1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000175662240 1427848924 /nfs/dbraw/zinc/84/89/24/1427848924.db2.gz NOXBFTYMBQFSTF-UHFFFAOYSA-N 0 3 388.493 3.435 20 5 GGBDHN CCc1n[n-]c(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)c1[N+](=O)[O-] ZINC000175706760 1427865689 /nfs/dbraw/zinc/86/56/89/1427865689.db2.gz CUXLOLNMRLVOKO-UHFFFAOYSA-N 0 3 397.435 3.035 20 5 GGBDHN CCc1n[n-]c(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)c1[N+](=O)[O-] ZINC000175706760 1427865692 /nfs/dbraw/zinc/86/56/92/1427865692.db2.gz CUXLOLNMRLVOKO-UHFFFAOYSA-N 0 3 397.435 3.035 20 5 GGBDHN CC(C)C1CCC(N2CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000176027153 1428034263 /nfs/dbraw/zinc/03/42/63/1428034263.db2.gz SMTZDYHSGMTPBQ-UHFFFAOYSA-N 0 3 388.512 3.366 20 5 GGBDHN COC(=O)[C@@H](O)C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000180671417 1429967061 /nfs/dbraw/zinc/96/70/61/1429967061.db2.gz QOMMLYQUBYKDKC-SFHVURJKSA-N 0 3 390.461 3.069 20 5 GGBDHN CC1CCN([C@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000180690820 1429979421 /nfs/dbraw/zinc/97/94/21/1429979421.db2.gz VKALMCAVOKCPTC-LJQANCHMSA-N 0 3 382.464 3.380 20 5 GGBDHN CN(CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)Cc1ccccc1 ZINC000180899411 1430097908 /nfs/dbraw/zinc/09/79/08/1430097908.db2.gz BQCYYKNVFRGWFW-UHFFFAOYSA-N 0 3 379.363 3.058 20 5 GGBDHN COc1ccc(NC(=O)CN[C@H](C[C@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000181236941 1430254040 /nfs/dbraw/zinc/25/40/40/1430254040.db2.gz LNPZPEQOKRPRCT-DNVCBOLYSA-N 0 3 399.447 3.299 20 5 GGBDHN C[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(N2CCCC2=O)c1 ZINC000181449430 1430301892 /nfs/dbraw/zinc/30/18/92/1430301892.db2.gz XOSPODIKPJCUEC-HNNXBMFYSA-N 0 3 396.447 3.401 20 5 GGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(COc2ccccc2)CC1 ZINC000181572867 1430321782 /nfs/dbraw/zinc/32/17/82/1430321782.db2.gz SVTQSNZIDQXTDP-GOSISDBHSA-N 0 3 386.448 3.126 20 5 GGBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000182073973 1430406718 /nfs/dbraw/zinc/40/67/18/1430406718.db2.gz ZHMNBURHJDNTCD-MRXNPFEDSA-N 0 3 393.447 3.031 20 5 GGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(OCc2ccccc2)CC1 ZINC000182194166 1430427662 /nfs/dbraw/zinc/42/76/62/1430427662.db2.gz LWYUVJPSSLFNQQ-SFHVURJKSA-N 0 3 386.448 3.016 20 5 GGBDHN COc1ccc([C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000182197551 1430428379 /nfs/dbraw/zinc/42/83/79/1430428379.db2.gz MXROVYRVRQBHFS-LJQANCHMSA-N 0 3 392.477 3.364 20 5 GGBDHN CN(Cc1cccc(C(F)(F)F)c1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182215311 1430431055 /nfs/dbraw/zinc/43/10/55/1430431055.db2.gz XLPPBPFJYZAEQY-OAHLLOKOSA-N 0 3 384.354 3.485 20 5 GGBDHN CN1CCC(N(Cc2ccccc2)C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000182308450 1430446057 /nfs/dbraw/zinc/44/60/57/1430446057.db2.gz NWPYGUMWTVTSKY-UHFFFAOYSA-N 0 3 397.431 3.060 20 5 GGBDHN CC[C@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1c(C)noc1C ZINC000182514453 1430481388 /nfs/dbraw/zinc/48/13/88/1430481388.db2.gz RISJPQRXMRJQIF-AWEZNQCLSA-N 0 3 376.413 3.278 20 5 GGBDHN C[C@H](C(=O)NCCCN1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000182629165 1430505484 /nfs/dbraw/zinc/50/54/84/1430505484.db2.gz WTKUPUNFFCPXRS-HNNXBMFYSA-N 0 3 385.439 3.402 20 5 GGBDHN CCOCCCNC(=O)C1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182650862 1430510465 /nfs/dbraw/zinc/51/04/65/1430510465.db2.gz NVTFVSHZNXMBJW-INIZCTEOSA-N 0 3 377.485 3.219 20 5 GGBDHN COC(=O)c1cccc(NC(=O)C[C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000183450359 1430714605 /nfs/dbraw/zinc/71/46/05/1430714605.db2.gz SPWLKAVTBFIYKV-ZIAGYGMSSA-N 0 3 385.420 3.449 20 5 GGBDHN O=C(CNC1(c2ccccc2)CCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000183535367 1430737022 /nfs/dbraw/zinc/73/70/22/1430737022.db2.gz LFQDFSDIMJLTMM-UHFFFAOYSA-N 0 3 383.404 3.321 20 5 GGBDHN C[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccc(-n2cccn2)c1 ZINC000183572305 1430744168 /nfs/dbraw/zinc/74/41/68/1430744168.db2.gz JYRXYFBEFYNKMH-HNNXBMFYSA-N 0 3 391.431 3.020 20 5 GGBDHN C[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccc(-n2cccn2)c1 ZINC000183588899 1430748839 /nfs/dbraw/zinc/74/88/39/1430748839.db2.gz SJDPUOXUWBONAS-OAHLLOKOSA-N 0 3 379.420 3.094 20 5 GGBDHN O=C(Nc1ccncc1[N+](=O)[O-])N1CCCN(CCCc2ccccc2)CC1 ZINC000183642534 1430761494 /nfs/dbraw/zinc/76/14/94/1430761494.db2.gz BLEPZASAXWNGSX-UHFFFAOYSA-N 0 3 383.452 3.162 20 5 GGBDHN CCN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000183763182 1430789137 /nfs/dbraw/zinc/78/91/37/1430789137.db2.gz KZEMMOKEUDWQHT-GOSISDBHSA-N 0 3 382.464 3.130 20 5 GGBDHN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN[C@]2(CO)CCOC2)cc1 ZINC000184191984 1430854041 /nfs/dbraw/zinc/85/40/41/1430854041.db2.gz DWLHVFPNFOZUAK-SFHVURJKSA-N 0 3 378.812 3.282 20 5 GGBDHN COc1cc(CN[C@H](C)C[S@](C)=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000184256479 1430863344 /nfs/dbraw/zinc/86/33/44/1430863344.db2.gz ZQJQPOGUHNUMPS-ASHKIFAZSA-N 0 3 392.477 3.039 20 5 GGBDHN C[C@@H](C[S@@](C)=O)NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000184266587 1430864969 /nfs/dbraw/zinc/86/49/69/1430864969.db2.gz HOXSSJMCEVWQKW-OHZJNBGDSA-N 0 3 398.488 3.304 20 5 GGBDHN COc1cc(CN2CCC(CCCN3CCOCC3)CC2)c([N+](=O)[O-])cc1F ZINC000184356769 1430877490 /nfs/dbraw/zinc/87/74/90/1430877490.db2.gz LAGJRDJKBMOMBU-UHFFFAOYSA-N 0 3 395.475 3.067 20 5 GGBDHN CCN1CCN(c2cccc(NC(=O)NCCc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000184899170 1431016648 /nfs/dbraw/zinc/01/66/48/1431016648.db2.gz QXUYBUPKBDNCQJ-UHFFFAOYSA-N 0 3 397.479 3.101 20 5 GGBDHN Cc1ccc(CN(CCN(C)C)C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)o1 ZINC000184918519 1431021043 /nfs/dbraw/zinc/02/10/43/1431021043.db2.gz QNMUOKOMHHYHJW-AWEZNQCLSA-N 0 3 377.416 3.329 20 5 GGBDHN C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1COc2ccccc21 ZINC000185550284 1431169038 /nfs/dbraw/zinc/16/90/38/1431169038.db2.gz KVXHFAAVVRZBRY-BXUZGUMPSA-N 0 3 375.812 3.341 20 5 GGBDHN C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000185631547 1431189585 /nfs/dbraw/zinc/18/95/85/1431189585.db2.gz ANQQKNILJNUKKG-BXUZGUMPSA-N 0 3 375.812 3.341 20 5 GGBDHN Cn1cc(CN2CCC(O)(c3ccccc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000185638842 1431191966 /nfs/dbraw/zinc/19/19/66/1431191966.db2.gz KMOAPDSGOMEGHL-UHFFFAOYSA-N 0 3 392.459 3.479 20 5 GGBDHN C[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@@H](c1ccccc1)N(C)C ZINC000187213859 1431651036 /nfs/dbraw/zinc/65/10/36/1431651036.db2.gz RNYVRGJYTUPICP-QRWLVFNGSA-N 0 3 393.447 3.202 20 5 GGBDHN C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H](c1ccccc1)N(C)C ZINC000187233381 1431658595 /nfs/dbraw/zinc/65/85/95/1431658595.db2.gz CYHXSGIMCIJZSS-SZNDQCEHSA-N 0 3 380.448 3.426 20 5 GGBDHN C[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](c1ccccc1)N(C)C ZINC000187255571 1431668710 /nfs/dbraw/zinc/66/87/10/1431668710.db2.gz SWXDTSXWGNADMG-MGPUTAFESA-N 0 3 393.447 3.202 20 5 GGBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)c1 ZINC000187327860 1431698032 /nfs/dbraw/zinc/69/80/32/1431698032.db2.gz UDUOBAGKONULGX-IBGZPJMESA-N 0 3 385.464 3.490 20 5 GGBDHN COc1cc(CNC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000189627174 1432183460 /nfs/dbraw/zinc/18/34/60/1432183460.db2.gz QMZDFNVXMLMJKO-BLLLJJGKSA-N 0 3 392.374 3.185 20 5 GGBDHN CCOC(=O)[C@](C)(CN[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000189982528 1432298534 /nfs/dbraw/zinc/29/85/34/1432298534.db2.gz LEMDUSSTJZIRLY-YCRPNKLZSA-N 0 3 399.447 3.032 20 5 GGBDHN CCOC(=O)[C@@](C)(CN[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000189982545 1432298667 /nfs/dbraw/zinc/29/86/67/1432298667.db2.gz LEMDUSSTJZIRLY-VFNWGFHPSA-N 0 3 399.447 3.032 20 5 GGBDHN COc1cc(C(=O)N(CCN(C)C)Cc2ccccc2F)cc([N+](=O)[O-])c1C ZINC000190037265 1432308781 /nfs/dbraw/zinc/30/87/81/1432308781.db2.gz ZVSBUOVDTHAMJH-UHFFFAOYSA-N 0 3 389.427 3.255 20 5 GGBDHN COc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc([N+](=O)[O-])c1C ZINC000190366443 1432367838 /nfs/dbraw/zinc/36/78/38/1432367838.db2.gz UWSBTJXRWDCWHC-UHFFFAOYSA-N 0 3 383.448 3.306 20 5 GGBDHN CCCn1ccnc1CCCN(C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000191491014 1432671330 /nfs/dbraw/zinc/67/13/30/1432671330.db2.gz PXQNHLPVLUORLR-MRXNPFEDSA-N 0 3 387.484 3.401 20 5 GGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000191936418 1432760204 /nfs/dbraw/zinc/76/02/04/1432760204.db2.gz LYHOGGIWSHCMQX-LJQANCHMSA-N 0 3 398.463 3.316 20 5 GGBDHN COc1cccc(C(=O)N2CCCN(CCCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000192484430 1432849933 /nfs/dbraw/zinc/84/99/33/1432849933.db2.gz AFEHRMRXGPZNRU-UHFFFAOYSA-N 0 3 397.475 3.384 20 5 GGBDHN CN(C)C(=O)COc1cccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192695009 1432876449 /nfs/dbraw/zinc/87/64/49/1432876449.db2.gz PJWQHBYXZAOFRI-HXUWFJFHSA-N 0 3 383.448 3.229 20 5 GGBDHN CN(C)C(=O)COc1cccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192695022 1432876455 /nfs/dbraw/zinc/87/64/55/1432876455.db2.gz PJWQHBYXZAOFRI-FQEVSTJZSA-N 0 3 383.448 3.229 20 5 GGBDHN C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000192865776 1432900648 /nfs/dbraw/zinc/90/06/48/1432900648.db2.gz JVAYPUSDIALLMX-LRDDRELGSA-N 0 3 397.884 3.218 20 5 GGBDHN CN(Cc1ccc(C(F)(F)F)cc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193316201 1432978031 /nfs/dbraw/zinc/97/80/31/1432978031.db2.gz KHPHWFMQTIMXMZ-OAHLLOKOSA-N 0 3 384.354 3.485 20 5 GGBDHN CN(Cc1ccc(OC(F)F)cc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193315167 1432978107 /nfs/dbraw/zinc/97/81/07/1432978107.db2.gz PVXNGPDESRZDJQ-CQSZACIVSA-N 0 3 382.363 3.068 20 5 GGBDHN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H](CN1CCCC1)c1ccccc1 ZINC000193829864 1433068404 /nfs/dbraw/zinc/06/84/04/1433068404.db2.gz RZXWXBCLOLSOHT-SFHVURJKSA-N 0 3 383.448 3.317 20 5 GGBDHN O=C1CCc2cc([N+](=O)[O-])c(NCCCN3CCc4ccccc4C3)cc2N1 ZINC000193851436 1433073078 /nfs/dbraw/zinc/07/30/78/1433073078.db2.gz GOJVNEQRRJJRLY-UHFFFAOYSA-N 0 3 380.448 3.340 20 5 GGBDHN CCN1CCC[C@@H]1CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000193929756 1433086805 /nfs/dbraw/zinc/08/68/05/1433086805.db2.gz HONHYAKUJCWSDI-QGZVFWFLSA-N 0 3 383.448 3.388 20 5 GGBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000193949507 1433090722 /nfs/dbraw/zinc/09/07/22/1433090722.db2.gz XCGQPYRGHIPNBV-UHFFFAOYSA-N 0 3 398.463 3.021 20 5 GGBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000193952639 1433091339 /nfs/dbraw/zinc/09/13/39/1433091339.db2.gz LLVNASYLXOAYRL-LJQANCHMSA-N 0 3 398.463 3.240 20 5 GGBDHN O=C(Nc1ccccc1O)C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000193957020 1433092115 /nfs/dbraw/zinc/09/21/15/1433092115.db2.gz QQOKNWDRKBEJNK-UHFFFAOYSA-N 0 3 385.420 3.030 20 5 GGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000194697226 1433216841 /nfs/dbraw/zinc/21/68/41/1433216841.db2.gz WQZGQKHCCKYGCP-UHFFFAOYSA-N 0 3 377.510 3.385 20 5 GGBDHN Cc1cccc(N2CCN(CCCCNc3ncc([N+](=O)[O-])s3)CC2)c1 ZINC000195508413 1433337775 /nfs/dbraw/zinc/33/77/75/1433337775.db2.gz JFASQXVSVQCXMT-UHFFFAOYSA-N 0 3 375.498 3.374 20 5 GGBDHN O=[N+]([O-])c1cnc(NCCCCN2CCN(Cc3ccccc3)CC2)s1 ZINC000195509707 1433337795 /nfs/dbraw/zinc/33/77/95/1433337795.db2.gz DCXCRAKWRYNUFG-UHFFFAOYSA-N 0 3 375.498 3.061 20 5 GGBDHN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCCN(Cc2ccccc2)CC1 ZINC000198978442 1433352543 /nfs/dbraw/zinc/35/25/43/1433352543.db2.gz FQTVFDCYXMPFNO-UHFFFAOYSA-N 0 3 382.464 3.131 20 5 GGBDHN C[C@H](NC/C=C/c1ccccc1[N+](=O)[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000237516193 1433407362 /nfs/dbraw/zinc/40/73/62/1433407362.db2.gz WBPLZQPKYRLNIO-VFADXPBXSA-N 0 3 389.477 3.209 20 5 GGBDHN Cc1csc(Sc2ccc(C(=O)N3C[C@H](C)NC[C@H]3C)cc2[N+](=O)[O-])n1 ZINC000237564365 1433409960 /nfs/dbraw/zinc/40/99/60/1433409960.db2.gz BCLNKRZKBZGJSK-CMPLNLGQSA-N 0 3 392.506 3.333 20 5 GGBDHN C[C@H](CN1CCOCC1)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237668992 1433415835 /nfs/dbraw/zinc/41/58/35/1433415835.db2.gz RSBJNAIQZAFKNW-CYBMUJFWSA-N 0 3 379.844 3.319 20 5 GGBDHN O=[N+]([O-])c1cc(CNC[C@H]2CCS(=O)(=O)C2)ccc1Oc1ccc(F)cc1 ZINC000237881557 1433431110 /nfs/dbraw/zinc/43/11/10/1433431110.db2.gz OKJLTRFIIYPOOK-CQSZACIVSA-N 0 3 394.424 3.051 20 5 GGBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccc(OC[C@H]4CCCO4)cc3)C2)nc1 ZINC000245640111 1433494114 /nfs/dbraw/zinc/49/41/14/1433494114.db2.gz SCYXPPOBODYQQZ-FXAWDEMLSA-N 0 3 398.463 3.234 20 5 GGBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccc(OC[C@H]4CCCO4)cc3)C2)nc1 ZINC000245640120 1433494150 /nfs/dbraw/zinc/49/41/50/1433494150.db2.gz SCYXPPOBODYQQZ-YLJYHZDGSA-N 0 3 398.463 3.234 20 5 GGBDHN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000246024811 1433558995 /nfs/dbraw/zinc/55/89/95/1433558995.db2.gz KRCHYAGLCQXYFI-ZWOKBUDYSA-N 0 3 396.491 3.025 20 5 GGBDHN O=[N+]([O-])c1cccc([C@H](O)CN(Cc2ccccc2)C[C@@H](O)c2ccco2)c1 ZINC000246378592 1433603409 /nfs/dbraw/zinc/60/34/09/1433603409.db2.gz ZIGLMIYXPXMUIE-WOJBJXKFSA-N 0 3 382.416 3.457 20 5 GGBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000248015488 1433763481 /nfs/dbraw/zinc/76/34/81/1433763481.db2.gz SJLLPGBNVQMVMG-ROUUACIJSA-N 0 3 391.515 3.391 20 5 GGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN(Cc1cccs1)C[C@H]1CCCO1 ZINC000248373968 1433788952 /nfs/dbraw/zinc/78/89/52/1433788952.db2.gz MWHXDWKPTOTUMX-JKSUJKDBSA-N 0 3 392.477 3.077 20 5 GGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN(Cc1ccccc1)C[C@H]1CCCO1 ZINC000248374854 1433789718 /nfs/dbraw/zinc/78/97/18/1433789718.db2.gz UORUJLIVLQPWPC-RTBURBONSA-N 0 3 386.448 3.016 20 5 GGBDHN CN1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccccc1 ZINC000248628248 1433812453 /nfs/dbraw/zinc/81/24/53/1433812453.db2.gz QMNUCOAVUUNCNS-QZTJIDSGSA-N 0 3 388.855 3.493 20 5 GGBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000248820244 1433823891 /nfs/dbraw/zinc/82/38/91/1433823891.db2.gz LGYYYXNCDQSWFV-YVEFUNNKSA-N 0 3 375.375 3.123 20 5 GGBDHN C[C@H](C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000248950566 1433830463 /nfs/dbraw/zinc/83/04/63/1433830463.db2.gz ZUAUONFKPWUGDK-QEEYODRMSA-N 0 3 385.439 3.474 20 5 GGBDHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000249742787 1433850682 /nfs/dbraw/zinc/85/06/82/1433850682.db2.gz JXFSXRVEXHVKBH-WBAXXEDZSA-N 0 3 389.452 3.038 20 5 GGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCNC[C@@H]1c1ccccc1Cl ZINC000261773961 1433903063 /nfs/dbraw/zinc/90/30/63/1433903063.db2.gz PAOHWFGYZFUIBL-GOSISDBHSA-N 0 3 388.855 3.142 20 5 GGBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCNC[C@H]1c1ccccc1Cl ZINC000262179399 1433929750 /nfs/dbraw/zinc/92/97/50/1433929750.db2.gz IMLWPBLEMAODSW-KRWDZBQOSA-N 0 3 388.855 3.142 20 5 GGBDHN C[C@@H]1CN(CC2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000263848816 1434041468 /nfs/dbraw/zinc/04/14/68/1434041468.db2.gz YBMVMJBDSJIVIM-OKILXGFUSA-N 0 3 395.887 3.210 20 5 GGBDHN COc1cc(CNC[C@@H](C)C[C@@H](C)O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000265840451 1434270988 /nfs/dbraw/zinc/27/09/88/1434270988.db2.gz GGTVDYUXQPWWSH-WDEREUQCSA-N 0 3 380.363 3.041 20 5 GGBDHN O=C(Nc1ccc(O)cc1)C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000265977702 1434291203 /nfs/dbraw/zinc/29/12/03/1434291203.db2.gz CSQHWAYTFMWRLA-UHFFFAOYSA-N 0 3 385.420 3.030 20 5 GGBDHN COc1cc(CNCC(C)(C)CCO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000266269891 1434315013 /nfs/dbraw/zinc/31/50/13/1434315013.db2.gz BNGWOWYCWIOOHN-UHFFFAOYSA-N 0 3 380.363 3.043 20 5 GGBDHN CN1CCC(N(Cc2ccccc2)C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000267459107 1434435822 /nfs/dbraw/zinc/43/58/22/1434435822.db2.gz VPWQZMDIMPCEER-UHFFFAOYSA-N 0 3 396.491 3.443 20 5 GGBDHN CC[C@@H](NCc1ccc(C(=O)N2CCN(C)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000268828086 1434561926 /nfs/dbraw/zinc/56/19/26/1434561926.db2.gz QDNHLYTWNCSDKF-OAQYLSRUSA-N 0 3 396.491 3.223 20 5 GGBDHN COc1cccc(OC)c1OC[C@@H](O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000268831547 1434562258 /nfs/dbraw/zinc/56/22/58/1434562258.db2.gz KNNXFXRSVAWMPB-HOCLYGCPSA-N 0 3 390.436 3.011 20 5 GGBDHN CCS(=O)(=O)Nc1ccc([C@@H](C)NCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000268877680 1434567207 /nfs/dbraw/zinc/56/72/07/1434567207.db2.gz ZCHZHFRJBPSXHQ-CYBMUJFWSA-N 0 3 393.465 3.216 20 5 GGBDHN CCS(=O)(=O)Nc1ccc([C@H](C)NCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000268877683 1434567248 /nfs/dbraw/zinc/56/72/48/1434567248.db2.gz ZCHZHFRJBPSXHQ-ZDUSSCGKSA-N 0 3 393.465 3.216 20 5 GGBDHN CC(C)c1n[nH]c(C(=O)N(Cc2ccccc2)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000269486158 1434652566 /nfs/dbraw/zinc/65/25/66/1434652566.db2.gz KZFGEYQRWNLTOH-UHFFFAOYSA-N 0 3 385.468 3.178 20 5 GGBDHN CN1CCC(N(Cc2ccccc2)C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000270536045 1434742330 /nfs/dbraw/zinc/74/23/30/1434742330.db2.gz OZVVYIUZMKMZHE-UHFFFAOYSA-N 0 3 396.491 3.443 20 5 GGBDHN COc1cc(CNCC(C)(C)C[C@@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000272527141 1434904437 /nfs/dbraw/zinc/90/44/37/1434904437.db2.gz YZMWTMRSETVLIE-LLVKDONJSA-N 0 3 376.400 3.134 20 5 GGBDHN C[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@H]1CCCN(C2CCC2)C1 ZINC000272732679 1434926688 /nfs/dbraw/zinc/92/66/88/1434926688.db2.gz BXOGCAHBQWVBLU-KGLIPLIRSA-N 0 3 381.498 3.063 20 5 GGBDHN COc1ccc(NC(=O)N(CCN(C)C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000272879406 1434938248 /nfs/dbraw/zinc/93/82/48/1434938248.db2.gz WMUROEPMNLXAHY-UHFFFAOYSA-N 0 3 378.454 3.261 20 5 GGBDHN CCOc1cc(NC(=O)N[C@@H](C)C2=CCN(C)CC2)c([N+](=O)[O-])cc1OCC ZINC000273060373 1434956322 /nfs/dbraw/zinc/95/63/22/1434956322.db2.gz YJLPYUFQGKPDRS-ZDUSSCGKSA-N 0 3 392.456 3.164 20 5 GGBDHN COc1cc(C[NH2+][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000273510438 1434993610 /nfs/dbraw/zinc/99/36/10/1434993610.db2.gz QRHIMWYHOQMTJK-MAUKXSAKSA-N 0 3 376.384 3.458 20 5 GGBDHN COc1cc(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)cc([N+](=O)[O-])c1OC ZINC000274592613 1435079894 /nfs/dbraw/zinc/07/98/94/1435079894.db2.gz FQNIMDCOLSCGLV-FZKQIMNGSA-N 0 3 387.436 3.033 20 5 GGBDHN COc1ccc(CN[C@H](CCn2cncn2)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000275847318 1435174272 /nfs/dbraw/zinc/17/42/72/1435174272.db2.gz KJZIFONVBVBMEP-GOSISDBHSA-N 0 3 381.436 3.425 20 5 GGBDHN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCN(CC2CCCC2)CC1 ZINC000276154844 1435194530 /nfs/dbraw/zinc/19/45/30/1435194530.db2.gz FFWQUADJDLLMNU-UHFFFAOYSA-N 0 3 381.498 3.065 20 5 GGBDHN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCN(C2CCCCC2)CC1 ZINC000276312289 1435204230 /nfs/dbraw/zinc/20/42/30/1435204230.db2.gz OSCQVYCZLTYLSV-UHFFFAOYSA-N 0 3 381.498 3.207 20 5 GGBDHN CC(C)N1CCN(C2CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)CC1 ZINC000276722606 1435227858 /nfs/dbraw/zinc/22/78/58/1435227858.db2.gz ZQQNNGPYRRJYHQ-UHFFFAOYSA-N 0 3 383.496 3.138 20 5 GGBDHN C[C@H]1CN(CCCNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCCO1 ZINC000277581946 1435314230 /nfs/dbraw/zinc/31/42/30/1435314230.db2.gz OPEVJOOSFBMHBQ-INIZCTEOSA-N 0 3 393.487 3.324 20 5 GGBDHN C[C@@H]1CN(CCCNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCCO1 ZINC000277581950 1435314368 /nfs/dbraw/zinc/31/43/68/1435314368.db2.gz OPEVJOOSFBMHBQ-MRXNPFEDSA-N 0 3 393.487 3.324 20 5 GGBDHN C[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1=CCN(C)CC1 ZINC000278767731 1435421794 /nfs/dbraw/zinc/42/17/94/1435421794.db2.gz UGNZEWYRUVVPSI-NSHDSACASA-N 0 3 386.374 3.063 20 5 GGBDHN O=[N+]([O-])c1cc(CN2CCC(c3ncc4n3CCCC4)CC2)c2c(c1)COCO2 ZINC000278788608 1435423947 /nfs/dbraw/zinc/42/39/47/1435423947.db2.gz DTCHNOLKKQQPBU-UHFFFAOYSA-N 0 3 398.463 3.374 20 5 GGBDHN C[C@H]1OCC[C@]12CN(CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)C[C@@H](C)O2 ZINC000279787402 1435543147 /nfs/dbraw/zinc/54/31/47/1435543147.db2.gz OALHQKCJIIKVJM-SXGZJXTBSA-N 0 3 387.436 3.061 20 5 GGBDHN CCC(=O)c1ccc(N2CCC(N3CCN(C(C)C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000280757783 1435715445 /nfs/dbraw/zinc/71/54/45/1435715445.db2.gz QHSCDYXHLJOOFB-UHFFFAOYSA-N 0 3 388.512 3.182 20 5 GGBDHN O=c1[nH]c(N[C@@H](CN2CCCC2)c2ccccc2)nc2ccc([N+](=O)[O-])cc21 ZINC000281064755 1435766657 /nfs/dbraw/zinc/76/66/57/1435766657.db2.gz 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566929513 /nfs/dbraw/zinc/92/95/13/566929513.db2.gz WPCUKEMDSZBRIB-OAHLLOKOSA-N 0 3 379.258 3.467 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000452175156 566948457 /nfs/dbraw/zinc/94/84/57/566948457.db2.gz SBHDAVPJYZRXRD-LLVKDONJSA-N 0 3 396.285 3.222 20 5 GGBDHN C[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000429954387 566969069 /nfs/dbraw/zinc/96/90/69/566969069.db2.gz VJPQURYZHWQXDP-NWDGAFQWSA-N 0 3 384.274 3.350 20 5 GGBDHN CC[C@H](NCc1cc(I)cc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000564390281 566970981 /nfs/dbraw/zinc/97/09/81/566970981.db2.gz LANQNFLTRQCDSE-UONOGXRCSA-N 0 3 390.221 3.247 20 5 GGBDHN CCOC[C@H](NCc1cc(I)cc([N+](=O)[O-])c1)C(C)C ZINC000564398947 566972779 /nfs/dbraw/zinc/97/27/79/566972779.db2.gz ABIVXSAXEJFCPQ-AWEZNQCLSA-N 0 3 392.237 3.350 20 5 GGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(C[C@@H]2CCSC2)CC1 ZINC000495059028 567042547 /nfs/dbraw/zinc/04/25/47/567042547.db2.gz LICTVYZNDGCSJN-LBPRGKRZSA-N 0 3 375.416 3.489 20 5 GGBDHN CC[C@H](NCCn1cc(Br)ccc1=O)c1cccc([N+](=O)[O-])c1 ZINC000453257635 567069405 /nfs/dbraw/zinc/06/94/05/567069405.db2.gz VDBHPUFZJMXPNM-HNNXBMFYSA-N 0 3 380.242 3.260 20 5 GGBDHN CC[C@H](CN1CCCC1)NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000585699512 567080772 /nfs/dbraw/zinc/08/07/72/567080772.db2.gz YRSRPKWGUMJGQY-GFCCVEGCSA-N 0 3 384.274 3.270 20 5 GGBDHN CN(C)[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000431655901 567098985 /nfs/dbraw/zinc/09/89/85/567098985.db2.gz RFHGGIVFYBAPAR-INIZCTEOSA-N 0 3 392.253 3.390 20 5 GGBDHN CC[C@@H](C[C@H](C)CO)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000565803799 567100942 /nfs/dbraw/zinc/10/09/42/567100942.db2.gz PWVXAFPAKGPMRC-GWCFXTLKSA-N 0 3 392.237 3.086 20 5 GGBDHN C[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H](C)C1 ZINC000431768420 567107037 /nfs/dbraw/zinc/10/70/37/567107037.db2.gz KNCCJHPTEANMRV-NWDGAFQWSA-N 0 3 384.274 3.208 20 5 GGBDHN C[C@@H](NCc1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000589316932 567174913 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CC(C)OCCCN(C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000569292453 567393481 /nfs/dbraw/zinc/39/34/81/567393481.db2.gz OSQLJJLSMRCWLO-UHFFFAOYSA-N 0 3 392.237 3.446 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCN1CCC[C@@H](C)C1 ZINC000550220224 567435914 /nfs/dbraw/zinc/43/59/14/567435914.db2.gz FIHFLIJRLAWDGS-LLVKDONJSA-N 0 3 384.274 3.127 20 5 GGBDHN O=C(CN[C@@H]1CCCC[C@H]1OC(F)F)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000502558092 567442648 /nfs/dbraw/zinc/44/26/48/567442648.db2.gz HTJRZPPHIXSOHR-CHWSQXEVSA-N 0 3 377.775 3.327 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)CCN1CCCCC1 ZINC000593884136 567445273 /nfs/dbraw/zinc/44/52/73/567445273.db2.gz TVUBBCIWSVJBBL-UHFFFAOYSA-N 0 3 384.274 3.224 20 5 GGBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594199439 567465104 /nfs/dbraw/zinc/46/51/04/567465104.db2.gz ZKSKLDRTZMLXRT-HZPDHXFCSA-N 0 3 396.285 3.033 20 5 GGBDHN O=[N+]([O-])c1ccn(CCN2CCC(c3ccc(Br)cc3)CC2)n1 ZINC000503411744 567482953 /nfs/dbraw/zinc/48/29/53/567482953.db2.gz ILBJSLWRVBGFBK-UHFFFAOYSA-N 0 3 379.258 3.433 20 5 GGBDHN O=[N+]([O-])c1cnn(CCN2CCC(c3ccc(Br)cc3)CC2)c1 ZINC000503441514 567484564 /nfs/dbraw/zinc/48/45/64/567484564.db2.gz ZZZCLAQYOXZZFF-UHFFFAOYSA-N 0 3 379.258 3.433 20 5 GGBDHN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCNC2(CCCCC2)C1 ZINC000594628986 567492498 /nfs/dbraw/zinc/49/24/98/567492498.db2.gz UDDYJYUHDCFGMG-UHFFFAOYSA-N 0 3 382.258 3.106 20 5 GGBDHN CS[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1N1CCCC1 ZINC000437928860 567514505 /nfs/dbraw/zinc/51/45/05/567514505.db2.gz GKCJZPQEQCUUPF-HUUCEWRRSA-N 0 3 384.889 3.292 20 5 GGBDHN CS[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1N1CCCC1 ZINC000437928861 567515507 /nfs/dbraw/zinc/51/55/07/567515507.db2.gz GKCJZPQEQCUUPF-LSDHHAIUSA-N 0 3 384.889 3.292 20 5 GGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCCn1cc(Br)cn1 ZINC000595052688 567539177 /nfs/dbraw/zinc/53/91/77/567539177.db2.gz SOGXNMXMJCHKMA-LLVKDONJSA-N 0 3 383.246 3.303 20 5 GGBDHN CN(Cc1cc(I)cc([N+](=O)[O-])c1)[C@H](CO)C(C)(C)C ZINC000571366137 567555974 /nfs/dbraw/zinc/55/59/74/567555974.db2.gz YQVBNXXWHSSJPG-CYBMUJFWSA-N 0 3 392.237 3.038 20 5 GGBDHN C[C@H](NCc1cc(I)cc([N+](=O)[O-])c1)c1cc[nH]c(=O)c1 ZINC000571534659 567570793 /nfs/dbraw/zinc/57/07/93/567570793.db2.gz WLBDKWMTRZNGDY-VIFPVBQESA-N 0 3 399.188 3.151 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000505606610 567586795 /nfs/dbraw/zinc/58/67/95/567586795.db2.gz KMNOVZCYSHENBL-KRWDZBQOSA-N 0 3 396.285 3.224 20 5 GGBDHN COCCC1(NCc2cc(I)cc([N+](=O)[O-])c2)CCC1 ZINC000572170692 567618484 /nfs/dbraw/zinc/61/84/84/567618484.db2.gz DNMFVILXZXHQME-UHFFFAOYSA-N 0 3 390.221 3.248 20 5 GGBDHN CC(C)(C)C[C@@H](O)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000572446666 567639993 /nfs/dbraw/zinc/63/99/93/567639993.db2.gz BDBYJVUORGBWMW-CYBMUJFWSA-N 0 3 392.237 3.086 20 5 GGBDHN O=[N+]([O-])c1cccc(CNC[C@H](CO)Cc2cc(F)cc(Br)c2)c1 ZINC000459709195 567653295 /nfs/dbraw/zinc/65/32/95/567653295.db2.gz TYDSUOLACNYFRD-CQSZACIVSA-N 0 3 397.244 3.437 20 5 GGBDHN CC[C@H]1CN(C)CCCN1C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000597605006 567707401 /nfs/dbraw/zinc/70/74/01/567707401.db2.gz MJAOWMJDGQGNQC-ZDUSSCGKSA-N 0 3 384.274 3.222 20 5 GGBDHN Cc1c(Br)cc(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597922649 567724207 /nfs/dbraw/zinc/72/42/07/567724207.db2.gz JYRRLMBFGOJQHT-GFCCVEGCSA-N 0 3 384.274 3.268 20 5 GGBDHN CCC[C@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000443085526 567730361 /nfs/dbraw/zinc/73/03/61/567730361.db2.gz LADOKEWMVXIQJS-INIZCTEOSA-N 0 3 383.495 3.066 20 5 GGBDHN CCOCC(C)(C)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000555583118 567790105 /nfs/dbraw/zinc/79/01/05/567790105.db2.gz PBINFSDQFLBIBR-UHFFFAOYSA-N 0 3 378.210 3.104 20 5 GGBDHN CC(C)N1CCC(N(C)C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599001986 567802997 /nfs/dbraw/zinc/80/29/97/567802997.db2.gz UHWAZJIJVPBPPT-UHFFFAOYSA-N 0 3 384.274 3.302 20 5 GGBDHN C[C@@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000599065296 567804558 /nfs/dbraw/zinc/80/45/58/567804558.db2.gz KBOZWYYJJVVFOZ-NEPJUHHUSA-N 0 3 384.274 3.350 20 5 GGBDHN C[C@@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000599071143 567805208 /nfs/dbraw/zinc/80/52/08/567805208.db2.gz QYAPQMYXVLQYDJ-RYUDHWBXSA-N 0 3 384.274 3.208 20 5 GGBDHN CC(C)(C)N1CCCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599218787 567810256 /nfs/dbraw/zinc/81/02/56/567810256.db2.gz CBKPUGMUEBQMKO-UHFFFAOYSA-N 0 3 384.274 3.304 20 5 GGBDHN COc1ccc([C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 ZINC000006602485 570491922 /nfs/dbraw/zinc/49/19/22/570491922.db2.gz JEYUITOLIIDDCK-HXUWFJFHSA-N 0 3 383.448 3.099 20 5 GGBDHN C[C@@H](c1ccccc1)[NH+]1CCC(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000736200941 599168014 /nfs/dbraw/zinc/16/80/14/599168014.db2.gz FPRXUODWQKPHHP-AWEZNQCLSA-N 0 3 393.451 3.412 20 5 GGBDHN C[N@@H+]1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000821623495 599582239 /nfs/dbraw/zinc/58/22/39/599582239.db2.gz 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ZINC000123688421 1414810121 /nfs/dbraw/zinc/81/01/21/1414810121.db2.gz LNSYBUJYUSJDHO-AWEZNQCLSA-N 0 3 377.466 3.251 20 5 GGBDHN O=[N+]([O-])c1cccc(-c2nc(CNCCCOC[C@H]3CCOC3)cs2)c1 ZINC000123688653 1414810273 /nfs/dbraw/zinc/81/02/73/1414810273.db2.gz LNSYBUJYUSJDHO-CQSZACIVSA-N 0 3 377.466 3.251 20 5 GGBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](Cc2nccn2C)C1 ZINC000123709040 1414813083 /nfs/dbraw/zinc/81/30/83/1414813083.db2.gz VXDBCCHGASECCK-HUUCEWRRSA-N 0 3 396.451 3.394 20 5 GGBDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000123746629 1414819418 /nfs/dbraw/zinc/81/94/18/1414819418.db2.gz RDMCBQICZIVIST-GOSISDBHSA-N 0 3 382.464 3.425 20 5 GGBDHN O=[N+]([O-])c1cnn(CCN[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c1 ZINC000124093352 1414884309 /nfs/dbraw/zinc/88/43/09/1414884309.db2.gz YLUDRHUWUXQVMI-LJQANCHMSA-N 0 3 394.410 3.311 20 5 GGBDHN O=[N+]([O-])c1cnn(CCN[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c1 ZINC000124093121 1414884319 /nfs/dbraw/zinc/88/43/19/1414884319.db2.gz YLUDRHUWUXQVMI-IBGZPJMESA-N 0 3 394.410 3.311 20 5 GGBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[C@@H]1CCCCN1C ZINC000124330914 1414941384 /nfs/dbraw/zinc/94/13/84/1414941384.db2.gz PKRBUEWVWHGJIG-ZDUSSCGKSA-N 0 3 389.905 3.052 20 5 GGBDHN O=c1cc(CN2CCN(C3CCOCC3)CC2)c2c(ccc3ccccc32)o1 ZINC000177750960 1428850072 /nfs/dbraw/zinc/85/00/72/1428850072.db2.gz OMOAHSGQKWERKU-UHFFFAOYSA-N 0 3 378.472 3.243 20 5 GGBDHN CNC(=O)[C@H]1CCCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000125036835 1415096715 /nfs/dbraw/zinc/09/67/15/1415096715.db2.gz VHGQFCBGERLHMG-KRWDZBQOSA-N 0 3 382.464 3.321 20 5 GGBDHN CCC[C@H](NCc1ccc(N2CCN(C)CC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000177826955 1428866180 /nfs/dbraw/zinc/86/61/80/1428866180.db2.gz WVPKCCWSICSQIN-FQEVSTJZSA-N 0 3 383.496 3.373 20 5 GGBDHN COC(=O)c1ccc(CN(C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000125187391 1415126503 /nfs/dbraw/zinc/12/65/03/1415126503.db2.gz ADNZTHFADIQSFD-UHFFFAOYSA-N 0 3 385.420 3.150 20 5 GGBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000177822662 1428865202 /nfs/dbraw/zinc/86/52/02/1428865202.db2.gz DMFKDNICWXOKPQ-OLZOCXBDSA-N 0 3 379.482 3.024 20 5 GGBDHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)cc([N+](=O)[O-])c1 ZINC000125841469 1415294517 /nfs/dbraw/zinc/29/45/17/1415294517.db2.gz JGBJKNXFSPFIHG-UHFFFAOYSA-N 0 3 377.391 3.385 20 5 GGBDHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)cc([N+](=O)[O-])c1 ZINC000125856102 1415298270 /nfs/dbraw/zinc/29/82/70/1415298270.db2.gz JNNLEAJQPKOMCJ-UHFFFAOYSA-N 0 3 377.391 3.385 20 5 GGBDHN Cc1c(C(=O)N(CCN(C)C)Cc2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000126407124 1415442795 /nfs/dbraw/zinc/44/27/95/1415442795.db2.gz OEYKFEXOYMRWSQ-UHFFFAOYSA-N 0 3 386.408 3.015 20 5 GGBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000126468910 1415462277 /nfs/dbraw/zinc/46/22/77/1415462277.db2.gz ITAXORGEMGAIKW-HXUWFJFHSA-N 0 3 382.464 3.274 20 5 GGBDHN O=C(NC[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000178045043 1428954044 /nfs/dbraw/zinc/95/40/44/1428954044.db2.gz BMAGMNOLCBVDFD-QGZVFWFLSA-N 0 3 383.448 3.116 20 5 GGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000126893071 1415597680 /nfs/dbraw/zinc/59/76/80/1415597680.db2.gz LVHFVFGOIXTRID-RDJZCZTQSA-N 0 3 397.431 3.355 20 5 GGBDHN C[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CN1Cc1ccccc1 ZINC000127056787 1415649931 /nfs/dbraw/zinc/64/99/31/1415649931.db2.gz DEEODHARPYWTLG-CRAIPNDOSA-N 0 3 392.459 3.398 20 5 GGBDHN O=C1NCCN1C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000127665208 1415829263 /nfs/dbraw/zinc/82/92/63/1415829263.db2.gz OLPBBJFNQYQOEI-UHFFFAOYSA-N 0 3 386.477 3.313 20 5 GGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000178241845 1429029068 /nfs/dbraw/zinc/02/90/68/1429029068.db2.gz YZIMGKBWVPYXDC-IRXDYDNUSA-N 0 3 389.496 3.255 20 5 GGBDHN Cc1cccc(C(=O)N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000178246424 1429031293 /nfs/dbraw/zinc/03/12/93/1429031293.db2.gz CIAWPSMLYOQRNE-IRXDYDNUSA-N 0 3 389.496 3.255 20 5 GGBDHN Cc1cc(C(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000178242553 1429029639 /nfs/dbraw/zinc/02/96/39/1429029639.db2.gz PIDFOMSQYVDNSA-CALCHBBNSA-N 0 3 389.496 3.255 20 5 GGBDHN Cc1cc(C(=O)N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000178242579 1429029783 /nfs/dbraw/zinc/02/97/83/1429029783.db2.gz PIDFOMSQYVDNSA-IRXDYDNUSA-N 0 3 389.496 3.255 20 5 GGBDHN Cc1cc(C(=O)N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000178242567 1429029858 /nfs/dbraw/zinc/02/98/58/1429029858.db2.gz PIDFOMSQYVDNSA-IAGOWNOFSA-N 0 3 389.496 3.255 20 5 GGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000178249448 1429033346 /nfs/dbraw/zinc/03/33/46/1429033346.db2.gz ZOJLPLLZHGJHTK-IAGOWNOFSA-N 0 3 389.496 3.255 20 5 GGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000128444898 1415988413 /nfs/dbraw/zinc/98/84/13/1415988413.db2.gz CQJLHWXTVOCGNY-UHFFFAOYSA-N 0 3 395.525 3.326 20 5 GGBDHN Cc1sc(C(=O)N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000178254610 1429034323 /nfs/dbraw/zinc/03/43/23/1429034323.db2.gz ABTODIHISFRIHK-KBPBESRZSA-N 0 3 395.525 3.316 20 5 GGBDHN Cc1c(C(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000178260539 1429035753 /nfs/dbraw/zinc/03/57/53/1429035753.db2.gz GIKVDISNPOXBLD-IYBDPMFKSA-N 0 3 389.496 3.255 20 5 GGBDHN C[C@@H]1CN(CCC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)C[C@@H](C)O1 ZINC000178261377 1429036813 /nfs/dbraw/zinc/03/68/13/1429036813.db2.gz IJKZCHCLHHOEGL-HUUCEWRRSA-N 0 3 393.459 3.085 20 5 GGBDHN Cc1ccc([C@H](C)NCCC(=O)N2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000128549771 1416011006 /nfs/dbraw/zinc/01/10/06/1416011006.db2.gz INYDBCNXPYFAJS-SFHVURJKSA-N 0 3 396.491 3.293 20 5 GGBDHN Cc1c([C@@H](C)NCCC(=O)N2CCN(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000128565464 1416014887 /nfs/dbraw/zinc/01/48/87/1416014887.db2.gz CUSUTZAHPFNZKF-GOSISDBHSA-N 0 3 396.491 3.293 20 5 GGBDHN COc1ccc(CN[C@@H]2C=C[C@H](CO)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000129723410 1416254175 /nfs/dbraw/zinc/25/41/75/1416254175.db2.gz VATKZWBLUZAFBB-ZWKOTPCHSA-N 0 3 384.432 3.209 20 5 GGBDHN O=c1ccc([N+](=O)[O-])cn1CCN(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000129898464 1416281772 /nfs/dbraw/zinc/28/17/72/1416281772.db2.gz DLHPNJSRAUFNJK-UHFFFAOYSA-N 0 3 390.443 3.483 20 5 GGBDHN Cc1cc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)ccc1[N+](=O)[O-] ZINC000129957628 1416290909 /nfs/dbraw/zinc/29/09/09/1416290909.db2.gz YEIXZYMDQRUWEN-UHFFFAOYSA-N 0 3 383.448 3.360 20 5 GGBDHN O=c1ccc([N+](=O)[O-])cn1CCN(Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000132541257 1416782084 /nfs/dbraw/zinc/78/20/84/1416782084.db2.gz HMVBZCJASLXAJO-SFHVURJKSA-N 0 3 399.472 3.054 20 5 GGBDHN CCOC(=O)c1ccnc(NC2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000133117645 1416853699 /nfs/dbraw/zinc/85/36/99/1416853699.db2.gz YPWCJZBWPBXBHU-UHFFFAOYSA-N 0 3 384.436 3.243 20 5 GGBDHN CCOC(=O)c1ccnc(NC[C@H](c2cccc(F)c2)N(C)C)c1[N+](=O)[O-] ZINC000133144607 1416856708 /nfs/dbraw/zinc/85/67/08/1416856708.db2.gz GSIWHONRYDCKTH-OAHLLOKOSA-N 0 3 376.388 3.020 20 5 GGBDHN C[C@@H]1CN(CCC2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000134474605 1417074499 /nfs/dbraw/zinc/07/44/99/1417074499.db2.gz QYYQPZLZKMBSMR-HUUCEWRRSA-N 0 3 393.459 3.085 20 5 GGBDHN CCC(=O)N1CC[C@@H](NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000134531538 1417083008 /nfs/dbraw/zinc/08/30/08/1417083008.db2.gz QSNXROUKYBHWQA-QGZVFWFLSA-N 0 3 382.464 3.463 20 5 GGBDHN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000134630278 1417101424 /nfs/dbraw/zinc/10/14/24/1417101424.db2.gz YPXVGXGUAYSPAT-LSDHHAIUSA-N 0 3 379.457 3.351 20 5 GGBDHN Cc1cccc([C@@H](O)CN(CCn2cc([N+](=O)[O-])cn2)Cc2ccccc2)c1 ZINC000135493299 1417228034 /nfs/dbraw/zinc/22/80/34/1417228034.db2.gz FKTHNOADQSVYGY-NRFANRHFSA-N 0 3 380.448 3.336 20 5 GGBDHN Cc1cccc([C@H](O)CN(CCn2cc([N+](=O)[O-])cn2)Cc2ccccc2)c1 ZINC000135493281 1417228172 /nfs/dbraw/zinc/22/81/72/1417228172.db2.gz FKTHNOADQSVYGY-OAQYLSRUSA-N 0 3 380.448 3.336 20 5 GGBDHN C[C@H]1C[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000137447825 1417385780 /nfs/dbraw/zinc/38/57/80/1417385780.db2.gz RNTYKRNOSFFSQL-FUHWJXTLSA-N 0 3 383.448 3.143 20 5 GGBDHN COCCN1CCC(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000138559624 1417425178 /nfs/dbraw/zinc/42/51/78/1417425178.db2.gz GUTAEBQAJKWYHM-UHFFFAOYSA-N 0 3 398.463 3.179 20 5 GGBDHN COCCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 ZINC000138626276 1417430120 /nfs/dbraw/zinc/43/01/20/1417430120.db2.gz AAVWOPQJZAOPHJ-UHFFFAOYSA-N 0 3 399.447 3.228 20 5 GGBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000139187664 1417451554 /nfs/dbraw/zinc/45/15/54/1417451554.db2.gz RRZOEDFBZXLEAC-WMZOPIPTSA-N 0 3 383.448 3.315 20 5 GGBDHN Cc1cccc([C@@H]2CCCN2CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)n1 ZINC000140212691 1417492526 /nfs/dbraw/zinc/49/25/26/1417492526.db2.gz PHVAFVYGWLEQAI-KRWDZBQOSA-N 0 3 382.420 3.433 20 5 GGBDHN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178861529 1429200716 /nfs/dbraw/zinc/20/07/16/1429200716.db2.gz HCTSIHRTOCEMIU-RDTXWAMCSA-N 0 3 393.484 3.253 20 5 GGBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C(C)C)N2CCc3ccccc3C2)c1 ZINC000146998104 1417736403 /nfs/dbraw/zinc/73/64/03/1417736403.db2.gz BVALBHSLDXMZJR-NRFANRHFSA-N 0 3 397.475 3.416 20 5 GGBDHN O=C(Nc1cccc(CNCCn2cc([N+](=O)[O-])cn2)c1)c1ccccc1Cl ZINC000151250253 1417903780 /nfs/dbraw/zinc/90/37/80/1417903780.db2.gz FWMBAPHWHGPZRF-UHFFFAOYSA-N 0 3 399.838 3.487 20 5 GGBDHN COc1cc(CNCCn2cc([N+](=O)[O-])cn2)ccc1OCc1cccs1 ZINC000151262261 1417906913 /nfs/dbraw/zinc/90/69/13/1417906913.db2.gz XFJSMUYGQYUPRR-UHFFFAOYSA-N 0 3 388.449 3.230 20 5 GGBDHN Cc1ccc(-n2cc(CNCCn3cc([N+](=O)[O-])cn3)c(C(C)(C)C)n2)cc1 ZINC000151270193 1417909682 /nfs/dbraw/zinc/90/96/82/1417909682.db2.gz JFGDVHLRDSTWRI-UHFFFAOYSA-N 0 3 382.468 3.373 20 5 GGBDHN CN(C(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1)[C@H]1CCCN(C)C1 ZINC000151761441 1418080768 /nfs/dbraw/zinc/08/07/68/1418080768.db2.gz FDOAWMFSQHZWFK-KRWDZBQOSA-N 0 3 396.447 3.013 20 5 GGBDHN CN(C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)[C@@H]1CCCN(C)C1 ZINC000151762233 1418081348 /nfs/dbraw/zinc/08/13/48/1418081348.db2.gz YFDIMEGKHAEDME-LJQANCHMSA-N 0 3 396.447 3.013 20 5 GGBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000152619172 1422170487 /nfs/dbraw/zinc/17/04/87/1422170487.db2.gz MICNXMQYAWSUPZ-OAHLLOKOSA-N 0 3 391.855 3.201 20 5 GGBDHN C[C@@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000179760113 1429545175 /nfs/dbraw/zinc/54/51/75/1429545175.db2.gz XUHAFJMSTPVXLL-XCLFUZPHSA-N 0 3 397.431 3.434 20 5 GGBDHN CCOc1ccc([C@H](C)NC[C@H](O)COc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000153170136 1422380565 /nfs/dbraw/zinc/38/05/65/1422380565.db2.gz BKXUEMGLUUOSSP-BBRMVZONSA-N 0 3 378.400 3.223 20 5 GGBDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000153352787 1422487450 /nfs/dbraw/zinc/48/74/50/1422487450.db2.gz CQYAHIKVQBNORV-UHFFFAOYSA-N 0 3 377.828 3.158 20 5 GGBDHN CCOc1ccc([C@@H](C)NC[C@@H](O)COc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000153633682 1422662032 /nfs/dbraw/zinc/66/20/32/1422662032.db2.gz LQPBCOANBVOFLY-TZMCWYRMSA-N 0 3 396.390 3.362 20 5 GGBDHN O=C(NC1CC1)c1ccc(CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000153706984 1422713331 /nfs/dbraw/zinc/71/33/31/1422713331.db2.gz UNKPNNRLHBGMJD-OAQYLSRUSA-N 0 3 395.459 3.185 20 5 GGBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H](Cc1ccccc1)c1ccccc1F ZINC000179807273 1429580637 /nfs/dbraw/zinc/58/06/37/1429580637.db2.gz FDPWUBZCOLLWPM-FQEVSTJZSA-N 0 3 381.407 3.469 20 5 GGBDHN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)[C@@H]3CCCN(C)C3)cc2[N+](=O)[O-])C1 ZINC000153746095 1422734828 /nfs/dbraw/zinc/73/48/28/1422734828.db2.gz JXVKBGOUONZAMG-JFIYKMOQSA-N 0 3 388.512 3.243 20 5 GGBDHN O=[N+]([O-])c1cccc([C@@H](O)CN(Cc2ccccc2)C[C@H](O)c2ccco2)c1 ZINC000154429418 1422887724 /nfs/dbraw/zinc/88/77/24/1422887724.db2.gz ZIGLMIYXPXMUIE-PMACEKPBSA-N 0 3 382.416 3.457 20 5 GGBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@@H](Nc2ccccc2)C1 ZINC000154848544 1423053747 /nfs/dbraw/zinc/05/37/47/1423053747.db2.gz LYNOMWXFIVLBAP-QGZVFWFLSA-N 0 3 396.447 3.469 20 5 GGBDHN Cc1ccc([C@H](C)NCc2cccc(OCCN3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000155164147 1423204810 /nfs/dbraw/zinc/20/48/10/1423204810.db2.gz AXYIHPDLYBLCBX-SFHVURJKSA-N 0 3 399.491 3.465 20 5 GGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cccc(OCCN2CCOCC2)c1 ZINC000155168950 1423208204 /nfs/dbraw/zinc/20/82/04/1423208204.db2.gz APOGINGEFWSVAB-GOSISDBHSA-N 0 3 399.491 3.465 20 5 GGBDHN CC(C)CN(CCN(C)C)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000155210240 1423247650 /nfs/dbraw/zinc/24/76/50/1423247650.db2.gz IHJIBMWQXUZTST-UHFFFAOYSA-N 0 3 387.278 3.409 20 5 GGBDHN COc1ccc(-c2ccc(CN3CCC[C@@H](CNC(C)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000155567697 1423423142 /nfs/dbraw/zinc/42/31/42/1423423142.db2.gz MOQOCTLRXGWXBT-HNNXBMFYSA-N 0 3 387.436 3.212 20 5 GGBDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000155626795 1423454621 /nfs/dbraw/zinc/45/46/21/1423454621.db2.gz UHOOKEFIBBPOAD-MOEXGYKKSA-N 0 3 380.448 3.345 20 5 GGBDHN C[C@H](NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000156843737 1423873451 /nfs/dbraw/zinc/87/34/51/1423873451.db2.gz JPWRYKHVRCVPIT-MEDUHNTESA-N 0 3 378.812 3.404 20 5 GGBDHN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCC[C@H](O)C2)cc1 ZINC000158792137 1424342989 /nfs/dbraw/zinc/34/29/89/1424342989.db2.gz ZXTZFRGBAMTLNS-FQEVSTJZSA-N 0 3 378.432 3.404 20 5 GGBDHN CCOC(=O)CC1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000159039057 1424402134 /nfs/dbraw/zinc/40/21/34/1424402134.db2.gz VKSOUTNVKZIASP-UHFFFAOYSA-N 0 3 386.452 3.161 20 5 GGBDHN COc1cccc([C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2C)N2CCCC2)c1 ZINC000159673283 1424523284 /nfs/dbraw/zinc/52/32/84/1424523284.db2.gz CHVRHXQYKUAXOJ-OAQYLSRUSA-N 0 3 397.475 3.408 20 5 GGBDHN CCN(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1ccsc1 ZINC000160152695 1424580508 /nfs/dbraw/zinc/58/05/08/1424580508.db2.gz COVUBFCYVUJXFQ-INIZCTEOSA-N 0 3 377.466 3.478 20 5 GGBDHN CC[C@@](C)(COc1ncccc1Cl)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000162500241 1424859439 /nfs/dbraw/zinc/85/94/39/1424859439.db2.gz LKPSWHBFAZTSIP-SFHVURJKSA-N 0 3 392.843 3.079 20 5 GGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)[C@@H]1COc2ccccc21 ZINC000163050470 1424931222 /nfs/dbraw/zinc/93/12/22/1424931222.db2.gz PJHUYDWYOBPDLS-WWGRRREGSA-N 0 3 385.420 3.085 20 5 GGBDHN CC(C)OC(=O)C[C@@H](NC(=O)C[C@H](N)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000163339078 1424981438 /nfs/dbraw/zinc/98/14/38/1424981438.db2.gz SXFZPAIFXHLLPI-ZWKOTPCHSA-N 0 3 399.447 3.184 20 5 GGBDHN CC(C)OC(=O)C[C@@H](NC(=O)C[C@@H](N)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000163339347 1424981946 /nfs/dbraw/zinc/98/19/46/1424981946.db2.gz SXFZPAIFXHLLPI-QZTJIDSGSA-N 0 3 399.447 3.184 20 5 GGBDHN Cc1c(CC(=O)N(C)C2CCN(CCc3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000164180729 1425084566 /nfs/dbraw/zinc/08/45/66/1425084566.db2.gz LKPIXTCKKSHVOM-UHFFFAOYSA-N 0 3 396.491 3.006 20 5 GGBDHN CN(C[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000170919384 1425392512 /nfs/dbraw/zinc/39/25/12/1425392512.db2.gz UOMAHVOSLANGFT-OAHLLOKOSA-N 0 3 379.457 3.162 20 5 GGBDHN CCN1CCN([C@@H](C)CNC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000171979351 1425866717 /nfs/dbraw/zinc/86/67/17/1425866717.db2.gz JCJTXAIRDOPHEY-KRWDZBQOSA-N 0 3 376.504 3.144 20 5 GGBDHN CCOc1ccccc1CN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000172168430 1425930617 /nfs/dbraw/zinc/93/06/17/1425930617.db2.gz SQTIDDKXFSLHFE-UHFFFAOYSA-N 0 3 387.436 3.463 20 5 GGBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000172204360 1425946364 /nfs/dbraw/zinc/94/63/64/1425946364.db2.gz GHOXCWFLTBUJER-IBGZPJMESA-N 0 3 382.464 3.401 20 5 GGBDHN CCN(CC)[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000172710505 1426153994 /nfs/dbraw/zinc/15/39/94/1426153994.db2.gz SCCYEZICOSPYEM-HXUWFJFHSA-N 0 3 385.464 3.345 20 5 GGBDHN CN(CC(=O)NC[C@H](c1cccs1)N1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000173132690 1426355780 /nfs/dbraw/zinc/35/57/80/1426355780.db2.gz KHQTWTISNFTPNV-QGZVFWFLSA-N 0 3 388.493 3.046 20 5 GGBDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(-n2cccn2)c1 ZINC000173198729 1426388318 /nfs/dbraw/zinc/38/83/18/1426388318.db2.gz LLJAJBBGVBEPBN-CABCVRRESA-N 0 3 379.420 3.458 20 5 GGBDHN C[C@H](N[C@@H](C)c1cccc(-n2cccn2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000173198719 1426388563 /nfs/dbraw/zinc/38/85/63/1426388563.db2.gz LLJAJBBGVBEPBN-GJZGRUSLSA-N 0 3 379.420 3.458 20 5 GGBDHN C[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(-n2cccn2)c1 ZINC000173206019 1426393285 /nfs/dbraw/zinc/39/32/85/1426393285.db2.gz LSKNQSJBQCCKRA-YWZLYKJASA-N 0 3 391.431 3.237 20 5 GGBDHN C[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(-n2cccn2)c1 ZINC000173206034 1426393489 /nfs/dbraw/zinc/39/34/89/1426393489.db2.gz LSKNQSJBQCCKRA-QRWLVFNGSA-N 0 3 391.431 3.237 20 5 GGBDHN C[C@@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCN1Cc1ccccc1 ZINC000173527174 1426701763 /nfs/dbraw/zinc/70/17/63/1426701763.db2.gz FPYIFKGZQCKDGR-OAHLLOKOSA-N 0 3 393.447 3.208 20 5 GGBDHN C[C@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCN1Cc1ccccc1 ZINC000173527194 1426702087 /nfs/dbraw/zinc/70/20/87/1426702087.db2.gz FPYIFKGZQCKDGR-HNNXBMFYSA-N 0 3 393.447 3.208 20 5 GGBDHN C[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000173530008 1426704600 /nfs/dbraw/zinc/70/46/00/1426704600.db2.gz IKCHISOMCXGQBM-KRWDZBQOSA-N 0 3 383.448 3.097 20 5 GGBDHN Cc1cccc(N2CCN(CCC(=O)N(C)Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000173898287 1426884498 /nfs/dbraw/zinc/88/44/98/1426884498.db2.gz AURXTWJRPGVVIU-UHFFFAOYSA-N 0 3 396.491 3.074 20 5 GGBDHN CCc1ccc(C(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000174168921 1427030623 /nfs/dbraw/zinc/03/06/23/1427030623.db2.gz BJAPRWVIPMXBMY-HOTGVXAUSA-N 0 3 389.496 3.119 20 5 GGBDHN C[C@@H](N[C@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000174376526 1427127872 /nfs/dbraw/zinc/12/78/72/1427127872.db2.gz SEXNJFXUVFQHIL-HUUCEWRRSA-N 0 3 379.420 3.458 20 5 GGBDHN COc1cc(CNC[C@H]2CCC[C@H](O)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000174428262 1427152170 /nfs/dbraw/zinc/15/21/70/1427152170.db2.gz APCFCSLJNVUARJ-AAEUAGOBSA-N 0 3 392.374 3.185 20 5 GGBDHN CS(=O)(=O)C1CCC(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000174459214 1427166530 /nfs/dbraw/zinc/16/65/30/1427166530.db2.gz MAJKORRQOOXOIW-UHFFFAOYSA-N 0 3 395.506 3.164 20 5 GGBDHN O=[N+]([O-])c1cnn(CCN(CCCO)C(c2ccccc2)c2ccccc2)c1 ZINC000174844460 1427402210 /nfs/dbraw/zinc/40/22/10/1427402210.db2.gz VNVYWCPMTNHTMS-UHFFFAOYSA-N 0 3 380.448 3.265 20 5 GGBDHN Cc1ccc(CNC(=O)C2CCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000175322686 1427677270 /nfs/dbraw/zinc/67/72/70/1427677270.db2.gz CUODREXGKMGNCQ-UHFFFAOYSA-N 0 3 397.475 3.310 20 5 GGBDHN C[C@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000175977063 1428008933 /nfs/dbraw/zinc/00/89/33/1428008933.db2.gz LYYMGQDFKDOYLL-KRWDZBQOSA-N 0 3 382.464 3.401 20 5 GGBDHN COc1cc(C(=O)N(Cc2ccccc2)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000176125514 1428099017 /nfs/dbraw/zinc/09/90/17/1428099017.db2.gz GIEFDOHFOBPAAA-UHFFFAOYSA-N 0 3 383.448 3.340 20 5 GGBDHN CC(C)NS(=O)(=O)CCN[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000180477957 1429879060 /nfs/dbraw/zinc/87/90/60/1429879060.db2.gz KOQHFBFXJACVCE-CYBMUJFWSA-N 0 3 397.522 3.302 20 5 GGBDHN CC1CCN([C@@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000180690803 1429979874 /nfs/dbraw/zinc/97/98/74/1429979874.db2.gz VKALMCAVOKCPTC-IBGZPJMESA-N 0 3 382.464 3.380 20 5 GGBDHN Cc1cc(S(=O)(=O)N2C[C@H]3CCCN3Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000180952147 1430131907 /nfs/dbraw/zinc/13/19/07/1430131907.db2.gz BSMFYKHJOUSZJR-MRXNPFEDSA-N 0 3 387.461 3.077 20 5 GGBDHN COc1cc(CN[C@H]2CCN(c3ccc(Cl)cc3)C2)c([N+](=O)[O-])cc1O ZINC000181027249 1430174897 /nfs/dbraw/zinc/17/48/97/1430174897.db2.gz YFUCJHWPEWYKJW-AWEZNQCLSA-N 0 3 377.828 3.331 20 5 GGBDHN COc1cc(CN[C@@H]2CCN(c3ccc(Cl)cc3)C2)c([N+](=O)[O-])cc1O ZINC000181027227 1430174926 /nfs/dbraw/zinc/17/49/26/1430174926.db2.gz YFUCJHWPEWYKJW-CQSZACIVSA-N 0 3 377.828 3.331 20 5 GGBDHN Cc1ccc(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c(CN(C)C)c1 ZINC000181133177 1430221062 /nfs/dbraw/zinc/22/10/62/1430221062.db2.gz OECIXKWVHNIRGK-IBGZPJMESA-N 0 3 382.420 3.097 20 5 GGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000181201907 1430246502 /nfs/dbraw/zinc/24/65/02/1430246502.db2.gz MKGGOSVSSAJBOT-BEFAXECRSA-N 0 3 399.447 3.299 20 5 GGBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000181351171 1430279787 /nfs/dbraw/zinc/27/97/87/1430279787.db2.gz OPHCLACZANRGPM-UHFFFAOYSA-N 0 3 398.463 3.054 20 5 GGBDHN C[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(N2CCCC2=O)c1 ZINC000181413030 1430291762 /nfs/dbraw/zinc/29/17/62/1430291762.db2.gz KZAGUTKACTYFOX-HNNXBMFYSA-N 0 3 396.447 3.401 20 5 GGBDHN C[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(N2CCCC2=O)c1 ZINC000181413046 1430292208 /nfs/dbraw/zinc/29/22/08/1430292208.db2.gz KZAGUTKACTYFOX-OAHLLOKOSA-N 0 3 396.447 3.401 20 5 GGBDHN C[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccc(N2CCCC2)c1 ZINC000181872874 1430375233 /nfs/dbraw/zinc/37/52/33/1430375233.db2.gz HGUUGPJQIJEHAT-INIZCTEOSA-N 0 3 394.475 3.435 20 5 GGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(Nc2ccc(F)cc2)CC1 ZINC000182143156 1430419471 /nfs/dbraw/zinc/41/94/71/1430419471.db2.gz IHQOGXZKWUDNSW-SFHVURJKSA-N 0 3 389.427 3.050 20 5 GGBDHN Cc1cccc(NC2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000182186048 1430426403 /nfs/dbraw/zinc/42/64/03/1430426403.db2.gz HARKWEDBDSZSDA-LJQANCHMSA-N 0 3 385.464 3.219 20 5 GGBDHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182557831 1430491761 /nfs/dbraw/zinc/49/17/61/1430491761.db2.gz KFUCCDVCHXCIPU-OAHLLOKOSA-N 0 3 379.420 3.394 20 5 GGBDHN C[C@@H](C(=O)NCC1(N2CCSCC2)CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000182666612 1430513344 /nfs/dbraw/zinc/51/33/44/1430513344.db2.gz MUCUMCNZYSODBT-CQSZACIVSA-N 0 3 395.500 3.315 20 5 GGBDHN CN(C)CCN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1 ZINC000182804702 1430543154 /nfs/dbraw/zinc/54/31/54/1430543154.db2.gz CSABIVZZKFVTBK-UHFFFAOYSA-N 0 3 379.363 3.405 20 5 GGBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000182819215 1430546051 /nfs/dbraw/zinc/54/60/51/1430546051.db2.gz DKYRYPYLFBANOW-LSDHHAIUSA-N 0 3 384.358 3.181 20 5 GGBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)o1 ZINC000183117554 1430618709 /nfs/dbraw/zinc/61/87/09/1430618709.db2.gz AZVCQUZGSBMJTM-UHFFFAOYSA-N 0 3 397.378 3.302 20 5 GGBDHN COC(=O)c1cccc(NC(=O)C[C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000183450318 1430714741 /nfs/dbraw/zinc/71/47/41/1430714741.db2.gz SPWLKAVTBFIYKV-KGLIPLIRSA-N 0 3 385.420 3.449 20 5 GGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000183583582 1430746952 /nfs/dbraw/zinc/74/69/52/1430746952.db2.gz UAUFSCGOEVEYGD-HNNXBMFYSA-N 0 3 379.420 3.378 20 5 GGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1cccc(-n2cccn2)c1 ZINC000183583600 1430747262 /nfs/dbraw/zinc/74/72/62/1430747262.db2.gz UAUFSCGOEVEYGD-OAHLLOKOSA-N 0 3 379.420 3.378 20 5 GGBDHN CCN(CC)[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000183588637 1430748762 /nfs/dbraw/zinc/74/87/62/1430748762.db2.gz JNNRMHJSWXEPOK-QGZVFWFLSA-N 0 3 387.440 3.203 20 5 GGBDHN O=C1c2ccccc2C(=O)N1CCCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000183740742 1430784792 /nfs/dbraw/zinc/78/47/92/1430784792.db2.gz ZUHBIEGPHODHLX-UHFFFAOYSA-N 0 3 387.823 3.414 20 5 GGBDHN C[C@H](C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000184066876 1430836963 /nfs/dbraw/zinc/83/69/63/1430836963.db2.gz ZUAUONFKPWUGDK-AVYPCKFXSA-N 0 3 385.439 3.474 20 5 GGBDHN COc1cc(CN[C@H](C)C[S@@](C)=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000184256512 1430863212 /nfs/dbraw/zinc/86/32/12/1430863212.db2.gz ZQJQPOGUHNUMPS-LOKFHWFJSA-N 0 3 392.477 3.039 20 5 GGBDHN COc1cc(CN[C@@H](C)C[S@](C)=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000184256459 1430863251 /nfs/dbraw/zinc/86/32/51/1430863251.db2.gz ZQJQPOGUHNUMPS-PWFNWSNSSA-N 0 3 392.477 3.039 20 5 GGBDHN CCN1CCN(c2cccc(NC(=O)CCNc3ccccc3[N+](=O)[O-])c2)CC1 ZINC000184278236 1430866722 /nfs/dbraw/zinc/86/67/22/1430866722.db2.gz BLUDIVBUZXVTMG-UHFFFAOYSA-N 0 3 397.479 3.177 20 5 GGBDHN COc1ccccc1S(=O)(=O)CCCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000184304689 1430871050 /nfs/dbraw/zinc/87/10/50/1430871050.db2.gz IWCLONRWARRTIO-CQSZACIVSA-N 0 3 378.450 3.118 20 5 GGBDHN CN(C)[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000184351352 1430876823 /nfs/dbraw/zinc/87/68/23/1430876823.db2.gz ZQRPDYMABGBCAK-MRXNPFEDSA-N 0 3 396.369 3.427 20 5 GGBDHN CC(C)(C)C(=O)N1CCC(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000185182544 1431079078 /nfs/dbraw/zinc/07/90/78/1431079078.db2.gz VMWZIUJZJDTVCQ-UHFFFAOYSA-N 0 3 388.512 3.002 20 5 GGBDHN C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1COc2ccccc21 ZINC000185550223 1431168848 /nfs/dbraw/zinc/16/88/48/1431168848.db2.gz KVXHFAAVVRZBRY-FZMZJTMJSA-N 0 3 375.812 3.341 20 5 GGBDHN CCOc1ccc(NC(=O)CN[C@@H](C)[C@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC000185631453 1431188973 /nfs/dbraw/zinc/18/89/73/1431188973.db2.gz JIHFCINSQRODOK-XJKSGUPXSA-N 0 3 385.420 3.086 20 5 GGBDHN CCOc1ccc(NC(=O)CN[C@@H](C)[C@@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC000185631413 1431189142 /nfs/dbraw/zinc/18/91/42/1431189142.db2.gz JIHFCINSQRODOK-BBRMVZONSA-N 0 3 385.420 3.086 20 5 GGBDHN COc1cc(CNCC2(CO)CCCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000185807573 1431240912 /nfs/dbraw/zinc/24/09/12/1431240912.db2.gz WLEHHQGELPDEQH-UHFFFAOYSA-N 0 3 392.374 3.187 20 5 GGBDHN CN1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccccc1 ZINC000185894291 1431267068 /nfs/dbraw/zinc/26/70/68/1431267068.db2.gz QMNUCOAVUUNCNS-MSOLQXFVSA-N 0 3 388.855 3.493 20 5 GGBDHN Cc1ccc([C@@H](C)NCc2ccc(N3CCCS3(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000186035795 1431316459 /nfs/dbraw/zinc/31/64/59/1431316459.db2.gz MWHNOEKNTITXGV-OAHLLOKOSA-N 0 3 389.477 3.294 20 5 GGBDHN O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1nnc(COc2ccccc2)[n-]1)C1CC1 ZINC000186434724 1431418894 /nfs/dbraw/zinc/41/88/94/1431418894.db2.gz BZVKMGBGYQUIRY-SFHVURJKSA-N 0 3 393.447 3.403 20 5 GGBDHN CCOC(=O)C[C@@](C)(NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000186672577 1431487814 /nfs/dbraw/zinc/48/78/14/1431487814.db2.gz LVWDPIFAKVSJRD-QGZVFWFLSA-N 0 3 385.848 3.144 20 5 GGBDHN CSc1cccc(C(=O)N(CCN(C)C)Cc2ccc(C)o2)c1[N+](=O)[O-] ZINC000186802938 1431521011 /nfs/dbraw/zinc/52/10/11/1431521011.db2.gz IGIKRPGMKQYRKF-UHFFFAOYSA-N 0 3 377.466 3.422 20 5 GGBDHN C[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@@H](c1ccccc1)N(C)C ZINC000187213847 1431651119 /nfs/dbraw/zinc/65/11/19/1431651119.db2.gz RNYVRGJYTUPICP-YWZLYKJASA-N 0 3 393.447 3.202 20 5 GGBDHN COc1cc(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)c([N+](=O)[O-])cc1OC ZINC000187253937 1431667489 /nfs/dbraw/zinc/66/74/89/1431667489.db2.gz FPQDCIPPECOQIF-YJYMSZOUSA-N 0 3 387.436 3.033 20 5 GGBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)c1 ZINC000187327839 1431698415 /nfs/dbraw/zinc/69/84/15/1431698415.db2.gz UDUOBAGKONULGX-LJQANCHMSA-N 0 3 385.464 3.490 20 5 GGBDHN Cn1nc(CCNCc2cc([N+](=O)[O-])ccc2OC(F)F)c2ccccc21 ZINC000187390032 1431716853 /nfs/dbraw/zinc/71/68/53/1431716853.db2.gz DYMFEYSVXMJKPK-UHFFFAOYSA-N 0 3 376.363 3.415 20 5 GGBDHN COc1cc(C(=O)N(CCN(C)C)Cc2cccs2)cc([N+](=O)[O-])c1C ZINC000189149968 1432052994 /nfs/dbraw/zinc/05/29/94/1432052994.db2.gz KTVRSDOWLBRFPR-UHFFFAOYSA-N 0 3 377.466 3.177 20 5 GGBDHN COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(OC)c2)N(C)C)cc1OC ZINC000189405741 1432099973 /nfs/dbraw/zinc/09/99/73/1432099973.db2.gz UKEREIQZGRMUCE-MRXNPFEDSA-N 0 3 375.425 3.335 20 5 GGBDHN CCOC(=O)[C@](C)(CN[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000189982564 1432298606 /nfs/dbraw/zinc/29/86/06/1432298606.db2.gz LEMDUSSTJZIRLY-QVKFZJNVSA-N 0 3 399.447 3.032 20 5 GGBDHN CCOC(=O)[C@@](C)(CN[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000189987348 1432300126 /nfs/dbraw/zinc/30/01/26/1432300126.db2.gz NNYGLQKROZVUPP-VFNWGFHPSA-N 0 3 399.447 3.032 20 5 GGBDHN CCOC(=O)[C@](C)(CN[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000189988783 1432300646 /nfs/dbraw/zinc/30/06/46/1432300646.db2.gz QPKMIHNZSJZPBU-QVKFZJNVSA-N 0 3 399.447 3.032 20 5 GGBDHN CC(C)OCCN1CCC(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000189998738 1432302155 /nfs/dbraw/zinc/30/21/55/1432302155.db2.gz RNVAGOIXRJBXCD-UHFFFAOYSA-N 0 3 377.485 3.337 20 5 GGBDHN CC(C)c1ccc(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000190045507 1432310246 /nfs/dbraw/zinc/31/02/46/1432310246.db2.gz PGPFJPWJFMADTG-HZPDHXFCSA-N 0 3 377.485 3.337 20 5 GGBDHN CC(C)c1ccc(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000190045493 1432310254 /nfs/dbraw/zinc/31/02/54/1432310254.db2.gz PGPFJPWJFMADTG-HOTGVXAUSA-N 0 3 377.485 3.337 20 5 GGBDHN COc1cc(CN2CC[C@H](O)[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000190048603 1432310861 /nfs/dbraw/zinc/31/08/61/1432310861.db2.gz ZGEMIKISANKVDJ-KXBFYZLASA-N 0 3 386.448 3.385 20 5 GGBDHN CCN(CC)[C@H](CNc1ncc(C(=O)OC)cc1[N+](=O)[O-])c1ccsc1 ZINC000190167509 1432331904 /nfs/dbraw/zinc/33/19/04/1432331904.db2.gz GOOQABCSDXSGCW-OAHLLOKOSA-N 0 3 378.454 3.333 20 5 GGBDHN COc1cc(CN[C@@H]2C[C@H]3OCCC[C@H]23)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000190347313 1432365632 /nfs/dbraw/zinc/36/56/32/1432365632.db2.gz ISQKNUZJSGPMQU-YRGRVCCFSA-N 0 3 390.358 3.202 20 5 GGBDHN O=C(CCN1CCC(Oc2ccc(F)nc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000190509065 1432394902 /nfs/dbraw/zinc/39/49/02/1432394902.db2.gz DXUIGULUPMXANY-UHFFFAOYSA-N 0 3 388.399 3.001 20 5 GGBDHN O=C(CCN1CCC(Oc2ccc(F)nc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000190562711 1432407368 /nfs/dbraw/zinc/40/73/68/1432407368.db2.gz HCNTWFFNJXADRU-UHFFFAOYSA-N 0 3 388.399 3.001 20 5 GGBDHN CCCn1ccnc1CCCN(C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000191517669 1432677532 /nfs/dbraw/zinc/67/75/32/1432677532.db2.gz GVAYXUNIIDETBY-UHFFFAOYSA-N 0 3 384.440 3.316 20 5 GGBDHN COc1cccc(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000192468173 1432848404 /nfs/dbraw/zinc/84/84/04/1432848404.db2.gz WRZRKRYZBMLKCO-CQSZACIVSA-N 0 3 389.477 3.307 20 5 GGBDHN COc1cccc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)c1[N+](=O)[O-] ZINC000192691966 1432875921 /nfs/dbraw/zinc/87/59/21/1432875921.db2.gz CXHBMAIQKRNSEF-UHFFFAOYSA-N 0 3 399.447 3.060 20 5 GGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H](O)COc1ccc(F)c(F)c1)CCC2 ZINC000192835741 1432896709 /nfs/dbraw/zinc/89/67/09/1432896709.db2.gz IKDKBZRALFGGTM-IFXJQAMLSA-N 0 3 378.375 3.280 20 5 GGBDHN C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000192865806 1432900776 /nfs/dbraw/zinc/90/07/76/1432900776.db2.gz JVAYPUSDIALLMX-BLLLJJGKSA-N 0 3 397.884 3.218 20 5 GGBDHN COc1ccc([C@@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C2CC2)cc1 ZINC000193342901 1432982773 /nfs/dbraw/zinc/98/27/73/1432982773.db2.gz KOGYENUJPOCWHQ-NRFANRHFSA-N 0 3 381.432 3.233 20 5 GGBDHN COc1ccc([C@H](NCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000193344617 1432983175 /nfs/dbraw/zinc/98/31/75/1432983175.db2.gz LKUHCYDGFHSIQR-HXUWFJFHSA-N 0 3 385.420 3.291 20 5 GGBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000193400334 1432991456 /nfs/dbraw/zinc/99/14/56/1432991456.db2.gz IXRSMFMEGPCEAT-LJQANCHMSA-N 0 3 398.463 3.240 20 5 GGBDHN CCOC(=O)c1ccnc(SCCN(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000193744331 1433050870 /nfs/dbraw/zinc/05/08/70/1433050870.db2.gz GXWUHTPEIZHJKF-UHFFFAOYSA-N 0 3 375.450 3.391 20 5 GGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000194459870 1433181617 /nfs/dbraw/zinc/18/16/17/1433181617.db2.gz GSQOGASKIQYVSI-UHFFFAOYSA-N 0 3 396.491 3.235 20 5 GGBDHN CN(C)Cc1cccc(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000194794581 1433234154 /nfs/dbraw/zinc/23/41/54/1433234154.db2.gz FBVBIYBNUVKQAH-UHFFFAOYSA-N 0 3 383.452 3.011 20 5 GGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000194809202 1433237300 /nfs/dbraw/zinc/23/73/00/1433237300.db2.gz KPIQPODMJODGKR-CALCHBBNSA-N 0 3 389.496 3.255 20 5 GGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000194809236 1433237533 /nfs/dbraw/zinc/23/75/33/1433237533.db2.gz KPIQPODMJODGKR-IRXDYDNUSA-N 0 3 389.496 3.255 20 5 GGBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000195266388 1433313438 /nfs/dbraw/zinc/31/34/38/1433313438.db2.gz SQVWLDNMJKVUMN-GOSISDBHSA-N 0 3 386.452 3.014 20 5 GGBDHN COc1cc(CNCCc2nccs2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000195422805 1433328148 /nfs/dbraw/zinc/32/81/48/1433328148.db2.gz HCZQDDUEPOOPQF-UHFFFAOYSA-N 0 3 391.371 3.333 20 5 GGBDHN CSc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C)o2)cc1[N+](=O)[O-] ZINC000195447938 1433330950 /nfs/dbraw/zinc/33/09/50/1433330950.db2.gz IDDSZXZHWFGZNA-UHFFFAOYSA-N 0 3 377.466 3.422 20 5 GGBDHN C[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@@H](C)C1 ZINC000226491432 1433368664 /nfs/dbraw/zinc/36/86/64/1433368664.db2.gz HDOXYJVTSFWKGJ-QZTJIDSGSA-N 0 3 391.515 3.391 20 5 GGBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000227413614 1433369800 /nfs/dbraw/zinc/36/98/00/1433369800.db2.gz SJLLPGBNVQMVMG-MSOLQXFVSA-N 0 3 391.515 3.391 20 5 GGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN(Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000228169736 1433370955 /nfs/dbraw/zinc/37/09/55/1433370955.db2.gz VREBHNUHJDBLKK-CTNGQTDRSA-N 0 3 386.448 3.016 20 5 GGBDHN COCCOc1ccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000237209940 1433392961 /nfs/dbraw/zinc/39/29/61/1433392961.db2.gz IUIAJDNQQGMQRZ-UHFFFAOYSA-N 0 3 396.447 3.310 20 5 GGBDHN Cc1csc(Sc2ccc(C(=O)N3C[C@@H](C)NC[C@@H]3C)cc2[N+](=O)[O-])n1 ZINC000237359370 1433399074 /nfs/dbraw/zinc/39/90/74/1433399074.db2.gz BCLNKRZKBZGJSK-PWSUYJOCSA-N 0 3 392.506 3.333 20 5 GGBDHN C[C@@H](NC/C=C/c1ccccc1[N+](=O)[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000237389812 1433400125 /nfs/dbraw/zinc/40/01/25/1433400125.db2.gz WBPLZQPKYRLNIO-PMGBHYCQSA-N 0 3 389.477 3.209 20 5 GGBDHN Cn1cc(CNCc2ccc(N3CCCC3)nc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237775700 1433423363 /nfs/dbraw/zinc/42/33/63/1433423363.db2.gz CZAKAGGKHJNSIJ-UHFFFAOYSA-N 0 3 392.463 3.280 20 5 GGBDHN O=[N+]([O-])c1cc(CNC[C@H](c2ccc(Cl)cc2)N2CCOCC2)cs1 ZINC000237785122 1433423776 /nfs/dbraw/zinc/42/37/76/1433423776.db2.gz WILAHNHRGHMKDG-MRXNPFEDSA-N 0 3 381.885 3.473 20 5 GGBDHN O=[N+]([O-])c1ccccc1CNC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000237794696 1433424645 /nfs/dbraw/zinc/42/46/45/1433424645.db2.gz WJTDYEGMXJBBQN-IBGZPJMESA-N 0 3 375.856 3.411 20 5 GGBDHN O=[N+]([O-])c1cc(CNC[C@@H]2CCS(=O)(=O)C2)ccc1Oc1ccc(F)cc1 ZINC000237881416 1433431031 /nfs/dbraw/zinc/43/10/31/1433431031.db2.gz OKJLTRFIIYPOOK-AWEZNQCLSA-N 0 3 394.424 3.051 20 5 GGBDHN COc1cccc(CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]2CCCO2)c1 ZINC000246365596 1433601645 /nfs/dbraw/zinc/60/16/45/1433601645.db2.gz XUZOAHAJICEMPT-NHCUHLMSSA-N 0 3 386.448 3.318 20 5 GGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)c1 ZINC000246778494 1433664828 /nfs/dbraw/zinc/66/48/28/1433664828.db2.gz PWAQZBHNQJUQJY-NRFANRHFSA-N 0 3 396.491 3.012 20 5 GGBDHN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)[C@H]3CCCN(C)C3)cc2[N+](=O)[O-])C1 ZINC000247356300 1433712890 /nfs/dbraw/zinc/71/28/90/1433712890.db2.gz JXVKBGOUONZAMG-JZXOWHBKSA-N 0 3 388.512 3.243 20 5 GGBDHN Cc1nc2c(s1)[C@@H](N(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC000247414013 1433719370 /nfs/dbraw/zinc/71/93/70/1433719370.db2.gz CSWQRZHCTSQXKN-PBHICJAKSA-N 0 3 377.466 3.109 20 5 GGBDHN CN(C)CCN(Cc1ccccc1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000248064760 1433767242 /nfs/dbraw/zinc/76/72/42/1433767242.db2.gz ZPXHJZVNYGPRPZ-UHFFFAOYSA-N 0 3 382.464 3.373 20 5 GGBDHN CCc1nc2c(s1)[C@H](N(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC000248197652 1433779512 /nfs/dbraw/zinc/77/95/12/1433779512.db2.gz LYCHQLJDDNAEKZ-RHSMWYFYSA-N 0 3 391.493 3.363 20 5 GGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000248374853 1433789729 /nfs/dbraw/zinc/78/97/29/1433789729.db2.gz UORUJLIVLQPWPC-MOPGFXCFSA-N 0 3 386.448 3.016 20 5 GGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000248459475 1433804686 /nfs/dbraw/zinc/80/46/86/1433804686.db2.gz NRDAINNVWJBENU-HZPDHXFCSA-N 0 3 397.431 3.355 20 5 GGBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000248773744 1433821772 /nfs/dbraw/zinc/82/17/72/1433821772.db2.gz HLJGSNOLIDMAGY-HNAYVOBHSA-N 0 3 390.443 3.393 20 5 GGBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000248773734 1433821802 /nfs/dbraw/zinc/82/18/02/1433821802.db2.gz HLJGSNOLIDMAGY-DNVCBOLYSA-N 0 3 390.443 3.393 20 5 GGBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000248820238 1433823850 /nfs/dbraw/zinc/82/38/50/1433823850.db2.gz LGYYYXNCDQSWFV-SJKOYZFVSA-N 0 3 375.375 3.123 20 5 GGBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000248917240 1433829453 /nfs/dbraw/zinc/82/94/53/1433829453.db2.gz WFLKUNMDTOCCLN-IFXJQAMLSA-N 0 3 387.867 3.427 20 5 GGBDHN COc1cc(CN2CC[C@@H](O)[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000250142438 1433854800 /nfs/dbraw/zinc/85/48/00/1433854800.db2.gz ZGEMIKISANKVDJ-HNAYVOBHSA-N 0 3 386.448 3.385 20 5 GGBDHN Cc1csc(Sc2ccc(C(=O)N3CCN[C@@H](C)[C@H]3C)cc2[N+](=O)[O-])n1 ZINC000262691795 1433950007 /nfs/dbraw/zinc/95/00/07/1433950007.db2.gz AAANGWBCYJQCSV-NWDGAFQWSA-N 0 3 392.506 3.333 20 5 GGBDHN Cn1cc(CNCc2ccnc(N3CCCC3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000263783995 1434033554 /nfs/dbraw/zinc/03/35/54/1434033554.db2.gz GDVBNFZRZHBPRF-UHFFFAOYSA-N 0 3 392.463 3.280 20 5 GGBDHN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@@H](N2CCCCC2)C1 ZINC000264587541 1434131447 /nfs/dbraw/zinc/13/14/47/1434131447.db2.gz VNRBXWKYIRXDDM-MRXNPFEDSA-N 0 3 386.477 3.419 20 5 GGBDHN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@H](N2CCCCC2)C1 ZINC000264587539 1434131624 /nfs/dbraw/zinc/13/16/24/1434131624.db2.gz VNRBXWKYIRXDDM-INIZCTEOSA-N 0 3 386.477 3.419 20 5 GGBDHN CCN1CCCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 ZINC000264602790 1434133396 /nfs/dbraw/zinc/13/33/96/1434133396.db2.gz FDYQDPRXIRPFBD-MRXNPFEDSA-N 0 3 397.479 3.331 20 5 GGBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@@H]3[C@@H](O)C(F)(F)F)o2)c1 ZINC000264753359 1434151837 /nfs/dbraw/zinc/15/18/37/1434151837.db2.gz XCQZHQLCXKRQDV-CZUORRHYSA-N 0 3 385.342 3.180 20 5 GGBDHN COc1ccc(CNC(=O)c2oc3ccccc3c2CN(C)C)cc1[N+](=O)[O-] ZINC000265027814 1434176166 /nfs/dbraw/zinc/17/61/66/1434176166.db2.gz FEPIZNPMUZSFKG-UHFFFAOYSA-N 0 3 383.404 3.341 20 5 GGBDHN CN(C)C(=O)[C@@H]1CCC[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000265180314 1434195254 /nfs/dbraw/zinc/19/52/54/1434195254.db2.gz MYZTVRRFPACBMS-CABCVRRESA-N 0 3 388.493 3.455 20 5 GGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H](O)C3CCOCC3)o2)c(Cl)c1 ZINC000265594168 1434249028 /nfs/dbraw/zinc/24/90/28/1434249028.db2.gz KWTZVGDDSUZTIM-QGZVFWFLSA-N 0 3 380.828 3.385 20 5 GGBDHN O=C(Nc1ccc(O)cc1)C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000265990473 1434293523 /nfs/dbraw/zinc/29/35/23/1434293523.db2.gz JHIJKGLDNATPDH-UHFFFAOYSA-N 0 3 385.420 3.030 20 5 GGBDHN COc1cc(CNCCc2ccncc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000268623468 1434541106 /nfs/dbraw/zinc/54/11/06/1434541106.db2.gz BXMZIWKZCJQTSS-UHFFFAOYSA-N 0 3 385.342 3.272 20 5 GGBDHN COc1ccc(CN[C@@H](C)CC(=O)Nc2cccnc2Cl)cc1[N+](=O)[O-] ZINC000268808000 1434559927 /nfs/dbraw/zinc/55/99/27/1434559927.db2.gz IIQQZNNTGZWUFZ-NSHDSACASA-N 0 3 378.816 3.159 20 5 GGBDHN CC[C@H](NCc1ccc(C(=O)N2CCN(C)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000268828085 1434561982 /nfs/dbraw/zinc/56/19/82/1434561982.db2.gz QDNHLYTWNCSDKF-NRFANRHFSA-N 0 3 396.491 3.223 20 5 GGBDHN Cc1ccc([C@@H](C)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1[N+](=O)[O-] ZINC000268829422 1434562175 /nfs/dbraw/zinc/56/21/75/1434562175.db2.gz QGZWQNGVPYWUFJ-QGZVFWFLSA-N 0 3 396.491 3.142 20 5 GGBDHN CC(C)c1n[nH]c(C(=O)NC[C@@H](c2cccs2)N2CCCC2)c1[N+](=O)[O-] ZINC000269419608 1434642473 /nfs/dbraw/zinc/64/24/73/1434642473.db2.gz XDDSJQLJEJFBRT-LBPRGKRZSA-N 0 3 377.470 3.070 20 5 GGBDHN CC(C)c1n[nH]c(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000269458549 1434649124 /nfs/dbraw/zinc/64/91/24/1434649124.db2.gz SCFQZGNNYVODKJ-CYBMUJFWSA-N 0 3 391.497 3.145 20 5 GGBDHN Cc1nc2ccccc2n1C[C@@H]1CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000270111331 1434704198 /nfs/dbraw/zinc/70/41/98/1434704198.db2.gz DGTVIRPTDRYBPL-KRWDZBQOSA-N 0 3 393.447 3.016 20 5 GGBDHN CCS(=O)(=O)c1ccc([C@@H](C)NCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000271455597 1434826216 /nfs/dbraw/zinc/82/62/16/1434826216.db2.gz JAUJWYCAQIXPEU-CQSZACIVSA-N 0 3 378.450 3.118 20 5 GGBDHN COc1cc(CNCCCc2c[nH]nc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272397230 1434893771 /nfs/dbraw/zinc/89/37/71/1434893771.db2.gz JNFWWWOWJKBVOT-UHFFFAOYSA-N 0 3 384.383 3.001 20 5 GGBDHN COc1cc(CN(C)CCCn2ccnc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272590305 1434911537 /nfs/dbraw/zinc/91/15/37/1434911537.db2.gz MRZCSCJLNTUKHP-UHFFFAOYSA-N 0 3 398.410 3.274 20 5 GGBDHN CC(C)OCCN1CCC(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273854747 1435022082 /nfs/dbraw/zinc/02/20/82/1435022082.db2.gz MPLFVGUYNHYUFY-UHFFFAOYSA-N 0 3 395.475 3.017 20 5 GGBDHN CC(C)(C)OC(=O)C1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000275513143 1435144640 /nfs/dbraw/zinc/14/46/40/1435144640.db2.gz TZMJJTJRJMSSQP-UHFFFAOYSA-N 0 3 395.431 3.116 20 5 GGBDHN COCCOCCOCCN(C)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000276273934 1435201502 /nfs/dbraw/zinc/20/15/02/1435201502.db2.gz QNOFAIMOOYXINA-UHFFFAOYSA-N 0 3 385.460 3.058 20 5 GGBDHN Cc1nccn1CCCNc1ccc([N+](=O)[O-])c(NCCCn2ccnc2C)n1 ZINC000277754416 1435327471 /nfs/dbraw/zinc/32/74/71/1435327471.db2.gz KAHJKXDVTHQHGV-UHFFFAOYSA-N 0 3 398.471 3.004 20 5 GGBDHN O=C(CCN1CCC(Oc2ncccc2F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000278060882 1435355157 /nfs/dbraw/zinc/35/51/57/1435355157.db2.gz FJKPLLUIDXSVHD-UHFFFAOYSA-N 0 3 388.399 3.001 20 5 GGBDHN COCCN1CCC(Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278522983 1435397088 /nfs/dbraw/zinc/39/70/88/1435397088.db2.gz SOXFIJXBVICKNP-UHFFFAOYSA-N 0 3 398.332 3.167 20 5 GGBDHN C[C@H]1OCC[C@@]12CN(CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)C[C@@H](C)O2 ZINC000279787399 1435543246 /nfs/dbraw/zinc/54/32/46/1435543246.db2.gz OALHQKCJIIKVJM-STXHMFSFSA-N 0 3 387.436 3.061 20 5 GGBDHN CC1(C)CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@]2(CCOC2)O1 ZINC000280524075 1435673304 /nfs/dbraw/zinc/67/33/04/1435673304.db2.gz OKWFRNSBUOENPZ-HXUWFJFHSA-N 0 3 387.436 3.062 20 5 GGBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](c2cccs2)N2CCCC2)n1 ZINC000280960721 1435747874 /nfs/dbraw/zinc/74/78/74/1435747874.db2.gz KVHSASVSEXIWPJ-CQSZACIVSA-N 0 3 376.438 3.087 20 5 GGBDHN COc1cc(C(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000281098354 1435773436 /nfs/dbraw/zinc/77/34/36/1435773436.db2.gz TWAFLMJFBNTXKH-SJLPKXTDSA-N 0 3 381.432 3.360 20 5 GGBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000281561037 1435813498 /nfs/dbraw/zinc/81/34/98/1435813498.db2.gz YFANBBRJZMLRNU-BTWZCHHXSA-N 0 3 375.469 3.183 20 5 GGBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000281561045 1435813585 /nfs/dbraw/zinc/81/35/85/1435813585.db2.gz YFANBBRJZMLRNU-JBFGMIDGSA-N 0 3 375.469 3.183 20 5 GGBDHN CC(C)c1n[nH]c(C(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000283087723 1435873791 /nfs/dbraw/zinc/87/37/91/1435873791.db2.gz YSQODJGMGOXVBY-ZDUSSCGKSA-N 0 3 379.848 3.127 20 5 GGBDHN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283270085 1435882236 /nfs/dbraw/zinc/88/22/36/1435882236.db2.gz LEWKFLZHYJONKL-LOKFHWFJSA-N 0 3 389.477 3.354 20 5 GGBDHN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283270091 1435882254 /nfs/dbraw/zinc/88/22/54/1435882254.db2.gz LEWKFLZHYJONKL-PWFNWSNSSA-N 0 3 389.477 3.354 20 5 GGBDHN C[C@H](c1ccc([S@](C)=O)cc1)N(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283270082 1435882263 /nfs/dbraw/zinc/88/22/63/1435882263.db2.gz LEWKFLZHYJONKL-ASHKIFAZSA-N 0 3 389.477 3.354 20 5 GGBDHN COc1ccc([C@@H](CN(C)C)NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000284489036 1436025507 /nfs/dbraw/zinc/02/55/07/1436025507.db2.gz VENBMFWCSKZZGP-HXUWFJFHSA-N 0 3 396.447 3.046 20 5 GGBDHN CCS(=O)(=O)c1ccc([C@@H](C)NCCOc2ccccc2[N+](=O)[O-])cc1 ZINC000284775627 1436048654 /nfs/dbraw/zinc/04/86/54/1436048654.db2.gz NMKSSPJYZDUUIZ-CQSZACIVSA-N 0 3 378.450 3.118 20 5 GGBDHN O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)c2ccccc21 ZINC001164726973 720374106 /nfs/dbraw/zinc/37/41/06/720374106.db2.gz QAOUONJCMRSQMT-MOPGFXCFSA-N 0 3 375.432 3.391 20 5 GGBDHN O=[N+]([O-])c1cccc2ccc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)nc21 ZINC001164727772 720376037 /nfs/dbraw/zinc/37/60/37/720376037.db2.gz RJHLVMZPYVMZOB-ZWKOTPCHSA-N 0 3 375.432 3.391 20 5 GGBDHN O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c1 ZINC001164724376 720479736 /nfs/dbraw/zinc/47/97/36/720479736.db2.gz FRWFWXZZBKQENO-VQTJNVASSA-N 0 3 375.432 3.391 20 5 GGBDHN O=[N+]([O-])c1cc(Cl)cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164905237 721526641 /nfs/dbraw/zinc/52/66/41/721526641.db2.gz HDNTUIXHYNHLTC-GOEBONIOSA-N 0 3 392.818 3.124 20 5 GGBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164909256 721539298 /nfs/dbraw/zinc/53/92/98/721539298.db2.gz RAXGBYJLIRLXNW-SJLPKXTDSA-N 0 3 386.427 3.088 20 5 GGBDHN CCC[C@H]([NH2+]Cc1ccc(OC)c(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000825242358 947131667 /nfs/dbraw/zinc/13/16/67/947131667.db2.gz PCIVUTJNFXZIAN-KRWDZBQOSA-N 0 3 382.424 3.415 20 5 GGBDHN C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001575516980 949223388 /nfs/dbraw/zinc/22/33/88/949223388.db2.gz SHMJSYQTDKGGQX-GXTWGEPZSA-N 0 3 397.414 3.161 20 5 GGBDHN C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001575516980 949223404 /nfs/dbraw/zinc/22/34/04/949223404.db2.gz SHMJSYQTDKGGQX-GXTWGEPZSA-N 0 3 397.414 3.161 20 5 GGBDHN CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccc2c(c1)OCO2 ZINC000096012924 222370859 /nfs/dbraw/zinc/37/08/59/222370859.db2.gz ONCMFHBHQYGXRR-UHFFFAOYSA-N 0 3 389.383 3.313 20 5 GGBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000119652766 564281965 /nfs/dbraw/zinc/28/19/65/564281965.db2.gz ZNKHJPXCOYJHNS-NWDGAFQWSA-N 0 3 384.274 3.208 20 5 GGBDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000120933744 564344487 /nfs/dbraw/zinc/34/44/87/564344487.db2.gz POTIUTAZGOAQJZ-CYBMUJFWSA-N 0 3 382.258 3.104 20 5 GGBDHN CN(Cc1ccc(Br)cc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026712836 564348673 /nfs/dbraw/zinc/34/86/73/564348673.db2.gz AIVWQZUPCMDUFK-MRXNPFEDSA-N 0 3 395.253 3.229 20 5 GGBDHN CN1CCN(CC2CCN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000122252140 564405978 /nfs/dbraw/zinc/40/59/78/564405978.db2.gz DGDRXBJEZZCVEC-UHFFFAOYSA-N 0 3 387.311 3.365 20 5 GGBDHN CC[C@H]1CCCCN1CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000122633729 564421081 /nfs/dbraw/zinc/42/10/81/564421081.db2.gz YGGMPORXBVGXCW-LBPRGKRZSA-N 0 3 384.274 3.352 20 5 GGBDHN Cc1sc(S(=O)(=O)[N-]C2CC[NH+](C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000124966885 564498976 /nfs/dbraw/zinc/49/89/76/564498976.db2.gz SVHTUMNOVPUXPN-UHFFFAOYSA-N 0 3 387.527 3.040 20 5 GGBDHN CN(CCOc1ccccc1[N+](=O)[O-])[C@@H](CO)c1cccc(Br)c1 ZINC000125544331 564517537 /nfs/dbraw/zinc/51/75/37/564517537.db2.gz VLJOMODSXKTYEC-INIZCTEOSA-N 0 3 395.253 3.402 20 5 GGBDHN Cc1c(Br)cc(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000127119872 564574411 /nfs/dbraw/zinc/57/44/11/564574411.db2.gz GXESDTFPXPPGHJ-BXKDBHETSA-N 0 3 382.258 3.021 20 5 GGBDHN Cc1c(Br)cc(C(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000127914237 564600935 /nfs/dbraw/zinc/60/09/35/564600935.db2.gz PZSBCGUWKPUQTB-DOMZBBRYSA-N 0 3 396.285 3.222 20 5 GGBDHN Cc1ccc(CNC[C@@H](O)COc2ccccc2Br)cc1[N+](=O)[O-] ZINC000130976892 564697372 /nfs/dbraw/zinc/69/73/72/564697372.db2.gz VUSYNXDQRCSDNY-CQSZACIVSA-N 0 3 395.253 3.195 20 5 GGBDHN Cc1ccc(CNC[C@H](O)COc2ccccc2Br)cc1[N+](=O)[O-] ZINC000130976688 564697720 /nfs/dbraw/zinc/69/77/20/564697720.db2.gz VUSYNXDQRCSDNY-AWEZNQCLSA-N 0 3 395.253 3.195 20 5 GGBDHN COC[C@@](C)(O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000069912478 564847403 /nfs/dbraw/zinc/84/74/03/564847403.db2.gz AOOGBZQGFOIHLJ-INIZCTEOSA-N 0 3 399.241 3.104 20 5 GGBDHN O=C(Nc1ccc(CCN2CCSCC2)cc1)c1csc([N+](=O)[O-])c1 ZINC000138676580 564866955 /nfs/dbraw/zinc/86/69/55/564866955.db2.gz YNQVFDHDTOGLPN-UHFFFAOYSA-N 0 3 377.491 3.500 20 5 GGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@@H](CO)C3)o2)c(Br)c1 ZINC000092764002 564881475 /nfs/dbraw/zinc/88/14/75/564881475.db2.gz KCDRFPFKZHUFRL-LLVKDONJSA-N 0 3 381.226 3.432 20 5 GGBDHN C[C@@H]1C[C@H](Nc2ccc(I)cc2[N+](=O)[O-])CCN1C ZINC000097635711 564909451 /nfs/dbraw/zinc/90/94/51/564909451.db2.gz IYBHEEIKIATDLX-MWLCHTKSSA-N 0 3 375.210 3.094 20 5 GGBDHN C[C@H]1C[C@@H](Nc2ccc(I)cc2[N+](=O)[O-])CCN1C ZINC000097635714 564910149 /nfs/dbraw/zinc/91/01/49/564910149.db2.gz IYBHEEIKIATDLX-ONGXEEELSA-N 0 3 375.210 3.094 20 5 GGBDHN CN(Cc1ccccc1)C[C@H](O)COc1c(Br)cccc1[N+](=O)[O-] ZINC000154006346 565021898 /nfs/dbraw/zinc/02/18/98/565021898.db2.gz FQTGJXPHZUSGTB-AWEZNQCLSA-N 0 3 395.253 3.229 20 5 GGBDHN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@H](N2CCCC2)C1 ZINC000155116220 565062158 /nfs/dbraw/zinc/06/21/58/565062158.db2.gz QRSYVPOGDJBQRN-LBPRGKRZSA-N 0 3 383.246 3.059 20 5 GGBDHN Cc1ccc(CNCCNC(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000113354426 565069405 /nfs/dbraw/zinc/06/94/05/565069405.db2.gz SJOLONWKKCPQEX-UHFFFAOYSA-N 0 3 392.253 3.185 20 5 GGBDHN CN(C)[C@]1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCSC1 ZINC000267108258 565105321 /nfs/dbraw/zinc/10/53/21/565105321.db2.gz QNCQEBIQIOFCKB-KRWDZBQOSA-N 0 3 378.523 3.245 20 5 GGBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000267562940 565122284 /nfs/dbraw/zinc/12/22/84/565122284.db2.gz HJBHMYMTLORVKQ-OLZOCXBDSA-N 0 3 382.258 3.056 20 5 GGBDHN CN(C)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)c1 ZINC000159340495 565203145 /nfs/dbraw/zinc/20/31/45/565203145.db2.gz KUCGQDAFELENOK-UHFFFAOYSA-N 0 3 392.253 3.349 20 5 GGBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H](C)C1 ZINC000159872826 565221799 /nfs/dbraw/zinc/22/17/99/565221799.db2.gz JPMGXJBQGHBSJU-NEPJUHHUSA-N 0 3 384.274 3.208 20 5 GGBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000270951288 565233738 /nfs/dbraw/zinc/23/37/38/565233738.db2.gz DWQVZGNZCSBRRL-LLVKDONJSA-N 0 3 384.274 3.160 20 5 GGBDHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H](O)c1ccccc1Br ZINC000295433895 565265674 /nfs/dbraw/zinc/26/56/74/565265674.db2.gz VZTVRDMECBDQDJ-IAGOWNOFSA-N 0 3 395.253 3.056 20 5 GGBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H](O)c1ccccc1Br ZINC000295433893 565265932 /nfs/dbraw/zinc/26/59/32/565265932.db2.gz VZTVRDMECBDQDJ-DLBZAZTESA-N 0 3 395.253 3.056 20 5 GGBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000272157605 565279418 /nfs/dbraw/zinc/27/94/18/565279418.db2.gz HGUPGTBKZKMUGP-NSHDSACASA-N 0 3 384.274 3.160 20 5 GGBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000272157604 565279601 /nfs/dbraw/zinc/27/96/01/565279601.db2.gz HGUPGTBKZKMUGP-LLVKDONJSA-N 0 3 384.274 3.160 20 5 GGBDHN COc1cc(CNCC2CCSCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272525862 565289985 /nfs/dbraw/zinc/28/99/85/565289985.db2.gz YXHNMXBMAOQNLE-UHFFFAOYSA-N 0 3 376.425 3.480 20 5 GGBDHN COc1cccc([C@H](CNc2ncc(Br)cc2[N+](=O)[O-])N(C)C)c1 ZINC000301090378 565463301 /nfs/dbraw/zinc/46/33/01/565463301.db2.gz NIPOOYJIEZDMES-HNNXBMFYSA-N 0 3 395.257 3.476 20 5 GGBDHN CN(C)[C@H](CNc1ncc(Br)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000301683497 565504757 /nfs/dbraw/zinc/50/47/57/565504757.db2.gz KMXGXUKXCJDCPN-AWEZNQCLSA-N 0 3 379.258 3.337 20 5 GGBDHN COc1cccc([C@H](CNc2c(Br)cncc2[N+](=O)[O-])N(C)C)c1 ZINC000301836839 565513448 /nfs/dbraw/zinc/51/34/48/565513448.db2.gz MEMGUCZAGWCRHS-AWEZNQCLSA-N 0 3 395.257 3.476 20 5 GGBDHN C[C@@H]1CN(CCCCNc2c(Br)cncc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000301901625 565517382 /nfs/dbraw/zinc/51/73/82/565517382.db2.gz VSHRTDQRYNOHBG-VXGBXAGGSA-N 0 3 387.278 3.054 20 5 GGBDHN CS(=O)(=O)c1cc([N+](=O)[O-])c(NC2CCC(N3CCCCC3)CC2)s1 ZINC000301917264 565517884 /nfs/dbraw/zinc/51/78/84/565517884.db2.gz AUJJUGBFZORZHF-UHFFFAOYSA-N 0 3 387.527 3.269 20 5 GGBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000277982392 565532786 /nfs/dbraw/zinc/53/27/86/565532786.db2.gz ACKHTMLQLQRODL-SECBINFHSA-N 0 3 390.303 3.221 20 5 GGBDHN Cc1cc(NCCCn2cc(Br)cn2)c2cc([N+](=O)[O-])ccc2n1 ZINC000392695553 565565790 /nfs/dbraw/zinc/56/57/90/565565790.db2.gz BXXRPVKWXZZVRR-UHFFFAOYSA-N 0 3 390.241 3.335 20 5 GGBDHN C[C@@H]1CN(C2CCOCC2)CCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000408356546 565606423 /nfs/dbraw/zinc/60/64/23/565606423.db2.gz ZPFNYGSZOREDFX-GFCCVEGCSA-N 0 3 384.274 3.047 20 5 GGBDHN CC(C)N(Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174740411 565654813 /nfs/dbraw/zinc/65/48/13/565654813.db2.gz VOXSDSBPLKWKIL-CQSZACIVSA-N 0 3 387.267 3.370 20 5 GGBDHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000175017686 565673958 /nfs/dbraw/zinc/67/39/58/565673958.db2.gz PSCSGWZJINIEBC-DGCLKSJQSA-N 0 3 382.258 3.056 20 5 GGBDHN Cc1c(NC(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc(Br)cc1[N+](=O)[O-] ZINC000280740084 565692806 /nfs/dbraw/zinc/69/28/06/565692806.db2.gz LKPGMXVWVJFXMO-IAQYHMDHSA-N 0 3 397.273 3.224 20 5 GGBDHN CN(C)[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000175516035 565704273 /nfs/dbraw/zinc/70/42/73/565704273.db2.gz PWKCEAABIIAZKN-MRXNPFEDSA-N 0 3 392.253 3.390 20 5 GGBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000330573630 565712348 /nfs/dbraw/zinc/71/23/48/565712348.db2.gz ZHHTYQPNATWJKY-GFCCVEGCSA-N 0 3 398.301 3.089 20 5 GGBDHN CN(C)CCN(Cc1cccs1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000175653540 565713747 /nfs/dbraw/zinc/71/37/47/565713747.db2.gz BVLOZIBATFFFNF-UHFFFAOYSA-N 0 3 379.507 3.339 20 5 GGBDHN Cc1c(Cl)cc(S(=O)(=O)N(C)C2CCN(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000330621916 565714095 /nfs/dbraw/zinc/71/40/95/565714095.db2.gz NBEVOCZNAAFSDC-UHFFFAOYSA-N 0 3 389.905 3.050 20 5 GGBDHN CN(C)CCN(Cc1cccs1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000175657392 565714595 /nfs/dbraw/zinc/71/45/95/565714595.db2.gz NNKDJNBOHWADFC-UHFFFAOYSA-N 0 3 381.885 3.443 20 5 GGBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000331501442 565763343 /nfs/dbraw/zinc/76/33/43/565763343.db2.gz HHTBJDGNDVDVMZ-JSGCOSHPSA-N 0 3 383.901 3.426 20 5 GGBDHN Cc1csc(Sc2ccc(C(=O)NC[C@H](C)N(C)C)cc2[N+](=O)[O-])n1 ZINC000412384491 565786581 /nfs/dbraw/zinc/78/65/81/565786581.db2.gz QKXAFFYTKCXJTL-NSHDSACASA-N 0 3 380.495 3.191 20 5 GGBDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000331948034 565795512 /nfs/dbraw/zinc/79/55/12/565795512.db2.gz OEJCXHJETFFGMD-LBPRGKRZSA-N 0 3 382.258 3.104 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000332209768 565815933 /nfs/dbraw/zinc/81/59/33/565815933.db2.gz RYAWIEFBFOOUOP-SMDDNHRTSA-N 0 3 396.285 3.365 20 5 GGBDHN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H](N2CCCC2)C1 ZINC000332220180 565818086 /nfs/dbraw/zinc/81/80/86/565818086.db2.gz VOUFOUMJJUHDSP-AWEZNQCLSA-N 0 3 383.901 3.427 20 5 GGBDHN C[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000176986024 565820663 /nfs/dbraw/zinc/82/06/63/565820663.db2.gz LTGSVXVZXRBKMS-NEPJUHHUSA-N 0 3 384.274 3.208 20 5 GGBDHN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@@H](N2CCCC2)C1 ZINC000332332775 565830156 /nfs/dbraw/zinc/83/01/56/565830156.db2.gz PNOCYIVOOZLZKR-CYBMUJFWSA-N 0 3 382.258 3.058 20 5 GGBDHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000332595749 565846109 /nfs/dbraw/zinc/84/61/09/565846109.db2.gz GQMLTZGJCUSYAB-QWHCGFSZSA-N 0 3 382.258 3.056 20 5 GGBDHN C[C@H](Cn1cc(Br)ccc1=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000414147346 565898814 /nfs/dbraw/zinc/89/88/14/565898814.db2.gz RIYLALAXQPSTSY-NEPJUHHUSA-N 0 3 380.242 3.258 20 5 GGBDHN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H]1CN1CCCC1 ZINC000178475807 565920244 /nfs/dbraw/zinc/92/02/44/565920244.db2.gz NLVVFBLMANNHJK-AWEZNQCLSA-N 0 3 382.258 3.058 20 5 GGBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000236630392 565941263 /nfs/dbraw/zinc/94/12/63/565941263.db2.gz YYQMTMJBTKHEMC-UHFFFAOYSA-N 0 3 392.253 3.267 20 5 GGBDHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000245697349 566001949 /nfs/dbraw/zinc/00/19/49/566001949.db2.gz SJWZFPYGVXNAPB-KGLIPLIRSA-N 0 3 382.258 3.056 20 5 GGBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000287415930 566016670 /nfs/dbraw/zinc/01/66/70/566016670.db2.gz ZTFOCUQBAUOWRK-IAQYHMDHSA-N 0 3 382.258 3.056 20 5 GGBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H](C)C1 ZINC000246176201 566019618 /nfs/dbraw/zinc/01/96/18/566019618.db2.gz JPMGXJBQGHBSJU-NWDGAFQWSA-N 0 3 384.274 3.208 20 5 GGBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000246265520 566024232 /nfs/dbraw/zinc/02/42/32/566024232.db2.gz ZNKHJPXCOYJHNS-NEPJUHHUSA-N 0 3 384.274 3.208 20 5 GGBDHN O=[N+]([O-])c1cnc(NCC2CCN(c3ccncc3)CC2)c(Br)c1 ZINC000180045066 566027894 /nfs/dbraw/zinc/02/78/94/566027894.db2.gz QPNLVNHHDCURSB-UHFFFAOYSA-N 0 3 392.257 3.476 20 5 GGBDHN O=[N+]([O-])c1cc(Br)cnc1NCC1CCN(c2ccncc2)CC1 ZINC000180045107 566027961 /nfs/dbraw/zinc/02/79/61/566027961.db2.gz HJHJUNRJWQTQHU-UHFFFAOYSA-N 0 3 392.257 3.476 20 5 GGBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000246400846 566028174 /nfs/dbraw/zinc/02/81/74/566028174.db2.gz ALDYSCUOIGBHKX-RYUDHWBXSA-N 0 3 384.274 3.208 20 5 GGBDHN CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C(C)(C)CN1CCCC1 ZINC000416105462 566034423 /nfs/dbraw/zinc/03/44/23/566034423.db2.gz KYWBQPZZLYHELZ-UHFFFAOYSA-N 0 3 384.274 3.304 20 5 GGBDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000247069373 566051723 /nfs/dbraw/zinc/05/17/23/566051723.db2.gz PREDRLWEQMGKDG-XQQFMLRXSA-N 0 3 398.301 3.454 20 5 GGBDHN C[C@@H](NC[C@@H](O)COc1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000180393242 566060646 /nfs/dbraw/zinc/06/06/46/566060646.db2.gz BRILQCXBVQZAEC-MLGOLLRUSA-N 0 3 395.253 3.448 20 5 GGBDHN C[C@H](NC[C@@H](O)COc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180434498 566062956 /nfs/dbraw/zinc/06/29/56/566062956.db2.gz ZMDJCDOADFHJOZ-BLLLJJGKSA-N 0 3 395.253 3.448 20 5 GGBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000288228704 566063184 /nfs/dbraw/zinc/06/31/84/566063184.db2.gz FDGRPQCPPONJAI-WCQYABFASA-N 0 3 382.258 3.056 20 5 GGBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000288355378 566069476 /nfs/dbraw/zinc/06/94/76/566069476.db2.gz KKYPVHYRPGHWTL-YPMHNXCESA-N 0 3 382.258 3.056 20 5 GGBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000289540240 566127730 /nfs/dbraw/zinc/12/77/30/566127730.db2.gz DZHYWFQTADFHFA-WCQYABFASA-N 0 3 382.258 3.056 20 5 GGBDHN O=[N+]([O-])c1cc(I)cc(CN[C@@H]2CCCc3cn[nH]c32)c1 ZINC000289567539 566128336 /nfs/dbraw/zinc/12/83/36/566128336.db2.gz ROBZXHSSCXSDNI-CYBMUJFWSA-N 0 3 398.204 3.090 20 5 GGBDHN C[C@H](NC[C@@H](O)COc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000181361102 566136050 /nfs/dbraw/zinc/13/60/50/566136050.db2.gz SGUNENLMDAABAH-SWLSCSKDSA-N 0 3 395.253 3.448 20 5 GGBDHN CCN1CCN([C@H]2CCN(Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)CC1 ZINC000289750846 566138815 /nfs/dbraw/zinc/13/88/15/566138815.db2.gz IVQNECZHLPDJLR-HNNXBMFYSA-N 0 3 387.311 3.113 20 5 GGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3CCCS(=O)(=O)C3)s2)cc1 ZINC000290106083 566157480 /nfs/dbraw/zinc/15/74/80/566157480.db2.gz KQFGHLXZELNVCP-ZDUSSCGKSA-N 0 3 380.491 3.238 20 5 GGBDHN CN1CCC2(CCCN2C(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000366775739 566169695 /nfs/dbraw/zinc/16/96/95/566169695.db2.gz WPXNYJZBWMXTPC-UHFFFAOYSA-N 0 3 382.258 3.058 20 5 GGBDHN C[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000182175896 566188067 /nfs/dbraw/zinc/18/80/67/566188067.db2.gz ILONNGMKUFBYSX-DOMZBBRYSA-N 0 3 395.253 3.448 20 5 GGBDHN O=[N+]([O-])c1cnn(CCN[C@@H](c2cc(F)cc(Br)c2)C2CC2)c1 ZINC000481749683 566250709 /nfs/dbraw/zinc/25/07/09/566250709.db2.gz XBGWZVDONDVWON-OAHLLOKOSA-N 0 3 383.221 3.434 20 5 GGBDHN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@H](N2CCCCC2)C1 ZINC000599391166 566262106 /nfs/dbraw/zinc/26/21/06/566262106.db2.gz NTCZUQZEQLCQLL-LBPRGKRZSA-N 0 3 382.258 3.058 20 5 GGBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H](Sc3ccc(Br)cc3)C2)n1 ZINC000599526491 566272662 /nfs/dbraw/zinc/27/26/62/566272662.db2.gz MZKJAFGATPQLFM-CQSZACIVSA-N 0 3 397.298 3.420 20 5 GGBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599724741 566291632 /nfs/dbraw/zinc/29/16/32/566291632.db2.gz MNMFNDDQFXSXOE-LLVKDONJSA-N 0 3 384.274 3.160 20 5 GGBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599849691 566299484 /nfs/dbraw/zinc/29/94/84/566299484.db2.gz KVAQFAWPJROLDG-ZDUSSCGKSA-N 0 3 384.274 3.208 20 5 GGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCn1cc(Br)ccc1=O ZINC000556455249 566303622 /nfs/dbraw/zinc/30/36/22/566303622.db2.gz FNEQCWXYGLHQLL-LBPRGKRZSA-N 0 3 380.242 3.178 20 5 GGBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599933159 566304119 /nfs/dbraw/zinc/30/41/19/566304119.db2.gz CZMAROTWWOUWEU-NEPJUHHUSA-N 0 3 382.258 3.056 20 5 GGBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599933160 566304635 /nfs/dbraw/zinc/30/46/35/566304635.db2.gz CZMAROTWWOUWEU-NWDGAFQWSA-N 0 3 382.258 3.056 20 5 GGBDHN C[C@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000599966119 566306131 /nfs/dbraw/zinc/30/61/31/566306131.db2.gz NSOCFCJFEJSCRH-GFCCVEGCSA-N 0 3 396.285 3.304 20 5 GGBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000600099383 566314467 /nfs/dbraw/zinc/31/44/67/566314467.db2.gz OBLLPWYQXYZEMN-LBPRGKRZSA-N 0 3 384.274 3.208 20 5 GGBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1c(Br)cccc1[N+](=O)[O-] ZINC000600085398 566314642 /nfs/dbraw/zinc/31/46/42/566314642.db2.gz LGNUKNJQMJOGAR-CHWSQXEVSA-N 0 3 382.258 3.104 20 5 GGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCC1(S(C)(=O)=O)CCCC1 ZINC000576164253 566321259 /nfs/dbraw/zinc/32/12/59/566321259.db2.gz QMBCLXWYZLTCJP-CQSZACIVSA-N 0 3 386.539 3.413 20 5 GGBDHN Cc1c(Br)cc(C(=O)NCCN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000509635516 566322548 /nfs/dbraw/zinc/32/25/48/566322548.db2.gz AXEMKELNRMEYIX-LLVKDONJSA-N 0 3 384.274 3.127 20 5 GGBDHN Cc1c(Br)cc(C(=O)N[C@@H](C)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000509666536 566326456 /nfs/dbraw/zinc/32/64/56/566326456.db2.gz KRQDVPRXPYITBL-NSHDSACASA-N 0 3 384.274 3.270 20 5 GGBDHN COc1ccc(OCCN[C@@H](C)c2ccc(Br)cn2)c([N+](=O)[O-])c1 ZINC000482976419 566347280 /nfs/dbraw/zinc/34/72/80/566347280.db2.gz HSGMWMQHNYPACJ-NSHDSACASA-N 0 3 396.241 3.491 20 5 GGBDHN CN(C)CCN(Cc1ccco1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000446430675 566348963 /nfs/dbraw/zinc/34/89/63/566348963.db2.gz XCTVQLWTRHUPKG-UHFFFAOYSA-N 0 3 396.241 3.154 20 5 GGBDHN C[C@@H]1C[C@H](Nc2c3cc(Br)ccc3ncc2[N+](=O)[O-])CCN1C ZINC000462875454 566362295 /nfs/dbraw/zinc/36/22/95/566362295.db2.gz MFUMJLXTTWRLLY-ZYHUDNBSSA-N 0 3 379.258 3.222 20 5 GGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H](O)C3CC3)o2)c(Br)c1 ZINC000510276420 566372161 /nfs/dbraw/zinc/37/21/61/566372161.db2.gz AEFYCBUGVVNZKH-OAHLLOKOSA-N 0 3 381.226 3.478 20 5 GGBDHN CCN(CC)C(=O)CCCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602515175 566475177 /nfs/dbraw/zinc/47/51/77/566475177.db2.gz NRDULWXRTSVOMY-UHFFFAOYSA-N 0 3 378.292 3.157 20 5 GGBDHN O=[N+]([O-])c1sc(CNCCCOC[C@@H]2CCCO2)cc1Br ZINC000602514670 566476302 /nfs/dbraw/zinc/47/63/02/566476302.db2.gz UHXNMEZMGTUIOZ-JTQLQIEISA-N 0 3 379.276 3.094 20 5 GGBDHN COc1cc(CCNCc2cc(Br)c([N+](=O)[O-])s2)ccc1O ZINC000602546207 566478405 /nfs/dbraw/zinc/47/84/05/566478405.db2.gz HFWFTDUZMKQAFS-UHFFFAOYSA-N 0 3 387.255 3.465 20 5 GGBDHN O=[N+]([O-])c1sc(CN[C@H]2CC[C@@](O)(C(F)(F)F)C2)cc1Br ZINC000602670186 566485051 /nfs/dbraw/zinc/48/50/51/566485051.db2.gz BRWNNMHXQXBJQI-WKEGUHRASA-N 0 3 389.193 3.354 20 5 GGBDHN CC(C)(CNCc1cc(Br)c([N+](=O)[O-])s1)C1(O)CCOCC1 ZINC000602697104 566487317 /nfs/dbraw/zinc/48/73/17/566487317.db2.gz UYKURQXCNRNSHP-UHFFFAOYSA-N 0 3 393.303 3.076 20 5 GGBDHN COC1([C@@H](C)NCc2cc(Br)c([N+](=O)[O-])s2)CCOCC1 ZINC000602693220 566487519 /nfs/dbraw/zinc/48/75/19/566487519.db2.gz DEKHMODOVCHSJK-SECBINFHSA-N 0 3 379.276 3.093 20 5 GGBDHN O=[N+]([O-])c1sc(CN[C@H]([C@@H](CO)C2CC2)C2CC2)cc1Br ZINC000602684821 566488208 /nfs/dbraw/zinc/48/82/08/566488208.db2.gz IZEZJQCVQVNSOV-AAEUAGOBSA-N 0 3 375.288 3.306 20 5 GGBDHN O=[N+]([O-])c1sc(CN[C@@H]([C@H](CO)C2CC2)C2CC2)cc1Br ZINC000602684822 566488377 /nfs/dbraw/zinc/48/83/77/566488377.db2.gz IZEZJQCVQVNSOV-DGCLKSJQSA-N 0 3 375.288 3.306 20 5 GGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000449098241 566528935 /nfs/dbraw/zinc/52/89/35/566528935.db2.gz IEBQSQACFKEZOA-CYBMUJFWSA-N 0 3 382.869 3.243 20 5 GGBDHN C[C@@H]1CSC[C@H]1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000578682181 566544154 /nfs/dbraw/zinc/54/41/54/566544154.db2.gz GCBKJEGPGAXDRV-PRHODGIISA-N 0 3 378.235 3.041 20 5 GGBDHN C[C@@H]1CSC[C@@H]1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000578682180 566544225 /nfs/dbraw/zinc/54/42/25/566544225.db2.gz GCBKJEGPGAXDRV-PELKAZGASA-N 0 3 378.235 3.041 20 5 GGBDHN C[C@H]1CSC[C@H]1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000578682182 566544423 /nfs/dbraw/zinc/54/44/23/566544423.db2.gz GCBKJEGPGAXDRV-QPUJVOFHSA-N 0 3 378.235 3.041 20 5 GGBDHN CN(Cc1cccc(Br)c1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000604016317 566550888 /nfs/dbraw/zinc/55/08/88/566550888.db2.gz PDOYDJABRMZJPF-MRXNPFEDSA-N 0 3 395.253 3.229 20 5 GGBDHN Cc1c(Cl)cc(S(=O)(=O)NCC2(N(C)C)CCCCC2)cc1[N+](=O)[O-] ZINC000604468088 566565800 /nfs/dbraw/zinc/56/58/00/566565800.db2.gz FWJRLNAZRVZSJF-UHFFFAOYSA-N 0 3 389.905 3.099 20 5 GGBDHN CO[C@H]([C@H](C)NCc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000449628374 566585723 /nfs/dbraw/zinc/58/57/23/566585723.db2.gz IKMWLCDIXACJHZ-LKFCYVNXSA-N 0 3 390.221 3.103 20 5 GGBDHN CC(C)(O)C(C)(C)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000449728147 566597757 /nfs/dbraw/zinc/59/77/57/566597757.db2.gz TZQWUBHHOLXYIP-UHFFFAOYSA-N 0 3 392.237 3.086 20 5 GGBDHN NC(=O)C[C@@H](NCc1ccc(Br)cc1[N+](=O)[O-])C1CCCCC1 ZINC000425436129 566643461 /nfs/dbraw/zinc/64/34/61/566643461.db2.gz VLCMQMSUZKGXCQ-CQSZACIVSA-N 0 3 384.274 3.271 20 5 GGBDHN Cc1sc(S(=O)(=O)[N-]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000467405625 566645183 /nfs/dbraw/zinc/64/51/83/566645183.db2.gz QRCGAGVPHRCOEV-CHWSQXEVSA-N 0 3 389.543 3.001 20 5 GGBDHN CC(C)[C@H](NCc1cc(I)cc([N+](=O)[O-])c1)C(C)(C)O ZINC000579896319 566647573 /nfs/dbraw/zinc/64/75/73/566647573.db2.gz KJUXRZICGGSQLD-ZDUSSCGKSA-N 0 3 392.237 3.085 20 5 GGBDHN C[C@@H](C[C@H]1CCCO1)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000514636225 566658863 /nfs/dbraw/zinc/65/88/63/566658863.db2.gz SJAHDVDKUNHSPF-IINYFYTJSA-N 0 3 390.221 3.247 20 5 GGBDHN CSC1(CNc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CCN(C)CC1 ZINC000450530627 566680846 /nfs/dbraw/zinc/68/08/46/566680846.db2.gz DUKCEAUAWAJDMN-UHFFFAOYSA-N 0 3 378.523 3.380 20 5 GGBDHN C[C@@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000561335120 566695987 /nfs/dbraw/zinc/69/59/87/566695987.db2.gz LKXQTZZOVDPVKI-DOMZBBRYSA-N 0 3 387.311 3.364 20 5 GGBDHN CN(CCCN(C)c1c(Br)cncc1[N+](=O)[O-])Cc1ccco1 ZINC000561434706 566704608 /nfs/dbraw/zinc/70/46/08/566704608.db2.gz GATYSUJCOIOYDR-UHFFFAOYSA-N 0 3 383.246 3.304 20 5 GGBDHN Cc1cc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])ccc1Br ZINC000515347449 566706433 /nfs/dbraw/zinc/70/64/33/566706433.db2.gz GXXIYYAVXMWJQI-CQSZACIVSA-N 0 3 395.253 3.195 20 5 GGBDHN CN(Cc1cccc(Br)c1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541280779 566711126 /nfs/dbraw/zinc/71/11/26/566711126.db2.gz KBXFPGWICCTEDI-HNNXBMFYSA-N 0 3 395.253 3.229 20 5 GGBDHN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCN2CCC1CC2 ZINC000468594476 566713502 /nfs/dbraw/zinc/71/35/02/566713502.db2.gz FYANCRUAKNAURF-UHFFFAOYSA-N 0 3 377.242 3.190 20 5 GGBDHN C[C@H](NC[C@@H](O)COc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000451102873 566758634 /nfs/dbraw/zinc/75/86/34/566758634.db2.gz FMSNNGIZCXZEGS-BLLLJJGKSA-N 0 3 395.253 3.448 20 5 GGBDHN CCCCN(C)CCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000562067962 566762667 /nfs/dbraw/zinc/76/26/67/566762667.db2.gz CDIRNYZXYQFDQA-UHFFFAOYSA-N 0 3 391.253 3.021 20 5 GGBDHN C[C@@H]1CC(NCc2cc(I)cc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000516606634 566772531 /nfs/dbraw/zinc/77/25/31/566772531.db2.gz OKGHSCHXEJFFBK-NXEZZACHSA-N 0 3 390.221 3.245 20 5 GGBDHN CS(=O)(=O)c1ccc(CN[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000469274639 566777985 /nfs/dbraw/zinc/77/79/85/566777985.db2.gz RJNPTLFVYOWSEP-HNNXBMFYSA-N 0 3 380.491 3.171 20 5 GGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H]2CCCCS2(=O)=O)s1 ZINC000542311784 566793108 /nfs/dbraw/zinc/79/31/08/566793108.db2.gz WHUXOYDGVNDJGI-CQSZACIVSA-N 0 3 380.491 3.380 20 5 GGBDHN Cc1ccc(Br)cc1CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000517130200 566807332 /nfs/dbraw/zinc/80/73/32/566807332.db2.gz REJTVCNUQNXNGD-OAHLLOKOSA-N 0 3 395.253 3.195 20 5 GGBDHN Cc1ccc(Br)cc1CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000517130199 566808085 /nfs/dbraw/zinc/80/80/85/566808085.db2.gz REJTVCNUQNXNGD-HNNXBMFYSA-N 0 3 395.253 3.195 20 5 GGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2ccc(Br)c(F)c2)c1 ZINC000581997910 566821409 /nfs/dbraw/zinc/82/14/09/566821409.db2.gz JHTRWAQXYZONMA-ZDUSSCGKSA-N 0 3 399.216 3.026 20 5 GGBDHN O=[N+]([O-])c1cc(CNC[C@@H](CO)Cc2ccc(Br)cc2)cs1 ZINC000428536107 566853146 /nfs/dbraw/zinc/85/31/46/566853146.db2.gz MEKHYBOKTVKXQM-LBPRGKRZSA-N 0 3 385.283 3.360 20 5 GGBDHN O=[N+]([O-])c1ccc(CNC[C@@H](CO)Cc2ccc(Br)cc2)cc1 ZINC000428532072 566853237 /nfs/dbraw/zinc/85/32/37/566853237.db2.gz GGAISLREZAOTIS-HNNXBMFYSA-N 0 3 379.254 3.298 20 5 GGBDHN O=[N+]([O-])c1ccc(CNC[C@H](CO)Cc2ccc(Br)cc2)c(F)c1 ZINC000428546244 566857058 /nfs/dbraw/zinc/85/70/58/566857058.db2.gz XDRNFWBZVVWQSW-CYBMUJFWSA-N 0 3 397.244 3.437 20 5 GGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3CCCCS3(=O)=O)s2)cc1 ZINC000543241045 566865231 /nfs/dbraw/zinc/86/52/31/566865231.db2.gz YXARTUADRJUQNR-MRXNPFEDSA-N 0 3 380.491 3.380 20 5 GGBDHN O=[N+]([O-])c1cccc(OCCN[C@@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000429005256 566898073 /nfs/dbraw/zinc/89/80/73/566898073.db2.gz RTQVUINIEQQJII-INIZCTEOSA-N 0 3 399.216 3.198 20 5 GGBDHN O=[N+]([O-])c1cc(I)cc(CNCCOCC2CCC2)c1 ZINC000582934531 566907042 /nfs/dbraw/zinc/90/70/42/566907042.db2.gz VQUOWWZUBFLSMS-UHFFFAOYSA-N 0 3 390.221 3.106 20 5 GGBDHN CC1(C)Cc2ccc(Br)cc2[C@@H]1NCCn1ccc([N+](=O)[O-])n1 ZINC000429293832 566920847 /nfs/dbraw/zinc/92/08/47/566920847.db2.gz MJIBHVNXIJBCEH-HNNXBMFYSA-N 0 3 379.258 3.467 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000452175157 566948045 /nfs/dbraw/zinc/94/80/45/566948045.db2.gz SBHDAVPJYZRXRD-NSHDSACASA-N 0 3 396.285 3.222 20 5 GGBDHN O=[N+]([O-])c1cc(I)cc(CN[C@H]2CCCSC2)c1 ZINC000583593475 566966599 /nfs/dbraw/zinc/96/65/99/566966599.db2.gz BMFLENLGBWBHKK-NSHDSACASA-N 0 3 378.235 3.185 20 5 GGBDHN CC[C@H](NCc1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000564390278 566970352 /nfs/dbraw/zinc/97/03/52/566970352.db2.gz LANQNFLTRQCDSE-KBPBESRZSA-N 0 3 390.221 3.247 20 5 GGBDHN CC(C)OCCCCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000564408089 566973078 /nfs/dbraw/zinc/97/30/78/566973078.db2.gz UFGHLWGLQJUOJR-UHFFFAOYSA-N 0 3 392.237 3.494 20 5 GGBDHN O=C(N[C@@H]1CCN(CC2CCCC2)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431507084 567086470 /nfs/dbraw/zinc/08/64/70/567086470.db2.gz RDQVTKSHPRKCER-OAHLLOKOSA-N 0 3 396.285 3.352 20 5 GGBDHN C[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)N1CCCC[C@H]1C ZINC000431641684 567099314 /nfs/dbraw/zinc/09/93/14/567099314.db2.gz WQBBYTSTIYAHIE-NEPJUHHUSA-N 0 3 384.274 3.350 20 5 GGBDHN CC[C@H]1CCCCN1CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431954739 567120173 /nfs/dbraw/zinc/12/01/73/567120173.db2.gz ZMCCAVYTOGQHBO-AWEZNQCLSA-N 0 3 384.274 3.352 20 5 GGBDHN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCC(F)(F)CC1 ZINC000474055452 567129381 /nfs/dbraw/zinc/12/93/81/567129381.db2.gz PGVHUNJTGTXSLQ-GFCCVEGCSA-N 0 3 376.425 3.172 20 5 GGBDHN CNC(=O)[C@H](CCSC)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000588931874 567146075 /nfs/dbraw/zinc/14/60/75/567146075.db2.gz BFLNOQYEYWPMAZ-AWEZNQCLSA-N 0 3 379.507 3.281 20 5 GGBDHN CCC[C@@H](CCO)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000566531859 567165291 /nfs/dbraw/zinc/16/52/91/567165291.db2.gz GJJBWDOKFUHNGF-NSHDSACASA-N 0 3 392.237 3.088 20 5 GGBDHN COC(=O)COc1ccc(CNCCc2ccc(Cl)s2)cc1[N+](=O)[O-] ZINC000474343731 567160315 /nfs/dbraw/zinc/16/03/15/567160315.db2.gz DVTUGKYTAQNLBC-UHFFFAOYSA-N 0 3 384.841 3.194 20 5 GGBDHN C[C@H](NCc1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000589316928 567175470 /nfs/dbraw/zinc/17/54/70/567175470.db2.gz XSGVPKICHLZQGG-HZMBPMFUSA-N 0 3 390.221 3.247 20 5 GGBDHN CC[C@H]1CN(C)CCCN1C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000590536883 567230764 /nfs/dbraw/zinc/23/07/64/567230764.db2.gz CMTMBWAIPWVGHX-LBPRGKRZSA-N 0 3 384.274 3.222 20 5 GGBDHN CN(C)C(=O)[C@H]1CCCN1CCCNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000547788904 567247160 /nfs/dbraw/zinc/24/71/60/567247160.db2.gz ZJSNUKCPTOAGFS-CQSZACIVSA-N 0 3 389.283 3.256 20 5 GGBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000547788903 567247237 /nfs/dbraw/zinc/24/72/37/567247237.db2.gz ZJSNUKCPTOAGFS-AWEZNQCLSA-N 0 3 389.283 3.256 20 5 GGBDHN CN(C)CCOc1cnccc1CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000567511243 567253404 /nfs/dbraw/zinc/25/34/04/567253404.db2.gz KWUYKLJQZNOOTD-UHFFFAOYSA-N 0 3 395.257 3.305 20 5 GGBDHN O=[N+]([O-])c1cc(Br)ccc1CN1CCCN(C[C@@H]2CCCO2)CC1 ZINC000591840790 567300981 /nfs/dbraw/zinc/30/09/81/567300981.db2.gz PZRIWPPTYNKAGS-INIZCTEOSA-N 0 3 398.301 3.044 20 5 GGBDHN CO[C@@H]1CCCC[C@H]1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000593070490 567383746 /nfs/dbraw/zinc/38/37/46/567383746.db2.gz QTFJSJCWEYQNEJ-ZIAGYGMSSA-N 0 3 390.221 3.247 20 5 GGBDHN C[C@@H](COCC1CC1)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000593682537 567434750 /nfs/dbraw/zinc/43/47/50/567434750.db2.gz SQMKHXRIQZNYJA-JTQLQIEISA-N 0 3 390.221 3.104 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](CC(C)C)N(C)C ZINC000550291416 567438946 /nfs/dbraw/zinc/43/89/46/567438946.db2.gz BLYAIUBHZYGMAP-CYBMUJFWSA-N 0 3 386.290 3.372 20 5 GGBDHN Cc1c(Br)cc(C(=O)N(C)CCN2CCCCC2)cc1[N+](=O)[O-] ZINC000593883453 567444555 /nfs/dbraw/zinc/44/45/55/567444555.db2.gz ONZUUVGEGDRVHP-UHFFFAOYSA-N 0 3 384.274 3.224 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594198081 567464210 /nfs/dbraw/zinc/46/42/10/567464210.db2.gz RITLCQDSGSSYAW-JKSUJKDBSA-N 0 3 396.285 3.412 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594197876 567464367 /nfs/dbraw/zinc/46/43/67/567464367.db2.gz RITLCQDSGSSYAW-CVEARBPZSA-N 0 3 396.285 3.412 20 5 GGBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1ccc(Br)cc1[N+](=O)[O-] ZINC000594196071 567465426 /nfs/dbraw/zinc/46/54/26/567465426.db2.gz KPGRPXRUPKUQDF-KBPBESRZSA-N 0 3 382.258 3.104 20 5 GGBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594198080 567465472 /nfs/dbraw/zinc/46/54/72/567465472.db2.gz RITLCQDSGSSYAW-HZPDHXFCSA-N 0 3 396.285 3.412 20 5 GGBDHN C[C@@H](Cc1ccccn1)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000594517616 567483995 /nfs/dbraw/zinc/48/39/95/567483995.db2.gz KSEKFCGQXPHHCR-NSHDSACASA-N 0 3 397.216 3.315 20 5 GGBDHN CCC[C@@]1(NCc2cc(I)cc([N+](=O)[O-])c2)CCOC1 ZINC000570487826 567489310 /nfs/dbraw/zinc/48/93/10/567489310.db2.gz XREJOOCMLRSHOU-CQSZACIVSA-N 0 3 390.221 3.248 20 5 GGBDHN C[C@@H](N[C@@H]1CCC[C@H]1OC(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000503526111 567491355 /nfs/dbraw/zinc/49/13/55/567491355.db2.gz MMDJPAOGQHSFSF-BZHVJNSISA-N 0 3 377.775 3.325 20 5 GGBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCNC2(CCCCC2)C1 ZINC000594629038 567492359 /nfs/dbraw/zinc/49/23/59/567492359.db2.gz XOAONYYUVGPFIR-UHFFFAOYSA-N 0 3 396.285 3.035 20 5 GGBDHN CS[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1N1CCCC1 ZINC000437928858 567514842 /nfs/dbraw/zinc/51/48/42/567514842.db2.gz GKCJZPQEQCUUPF-CABCVRRESA-N 0 3 384.889 3.292 20 5 GGBDHN CN(C)CCN(Cc1ccsc1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000458198256 567530092 /nfs/dbraw/zinc/53/00/92/567530092.db2.gz GYDYLEFQMMMDHH-UHFFFAOYSA-N 0 3 379.507 3.339 20 5 GGBDHN CO[C@@H]1C[C@H](NCc2cc(I)cc([N+](=O)[O-])c2)C1(C)C ZINC000571452152 567563941 /nfs/dbraw/zinc/56/39/41/567563941.db2.gz OJSIRCHMJGAZSY-QWHCGFSZSA-N 0 3 390.221 3.103 20 5 GGBDHN O=[N+]([O-])c1cc(Br)ccc1CN1CCC[C@@H](N2CCOCC2)CC1 ZINC000595471710 567566330 /nfs/dbraw/zinc/56/63/30/567566330.db2.gz DHSXARMFVYRNPY-MRXNPFEDSA-N 0 3 398.301 3.044 20 5 GGBDHN C[C@@H](NCc1cc(I)cc([N+](=O)[O-])c1)c1cc[nH]c(=O)c1 ZINC000571534656 567570295 /nfs/dbraw/zinc/57/02/95/567570295.db2.gz WLBDKWMTRZNGDY-SECBINFHSA-N 0 3 399.188 3.151 20 5 GGBDHN O=[N+]([O-])c1cc(Br)ccc1CN[C@H](C1CC1)C1(CO)CCOCC1 ZINC000595587988 567572465 /nfs/dbraw/zinc/57/24/65/567572465.db2.gz JYWYKUYQBRDAEP-MRXNPFEDSA-N 0 3 399.285 3.015 20 5 GGBDHN O=[N+]([O-])c1cc(Br)ccc1CN[C@@H](C1CC1)C1(CO)CCOCC1 ZINC000595587987 567572723 /nfs/dbraw/zinc/57/27/23/567572723.db2.gz JYWYKUYQBRDAEP-INIZCTEOSA-N 0 3 399.285 3.015 20 5 GGBDHN Cc1c(Br)cc(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000552337687 567579113 /nfs/dbraw/zinc/57/91/13/567579113.db2.gz XQAHDRLFHJGDJB-SMDDNHRTSA-N 0 3 396.285 3.365 20 5 GGBDHN Cc1c(Br)cc(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000552337686 567579280 /nfs/dbraw/zinc/57/92/80/567579280.db2.gz XQAHDRLFHJGDJB-RISCZKNCSA-N 0 3 396.285 3.365 20 5 GGBDHN CN1CCC[C@]2(CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000505663255 567589665 /nfs/dbraw/zinc/58/96/65/567589665.db2.gz YHLYOZMTQHBFFM-KRWDZBQOSA-N 0 3 383.901 3.285 20 5 GGBDHN CCN1CCN(C[C@@H](C)CNc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596081625 567606849 /nfs/dbraw/zinc/60/68/49/567606849.db2.gz IIIUXAZJXCXSHG-ZDUSSCGKSA-N 0 3 385.306 3.043 20 5 GGBDHN O=[N+]([O-])c1cccc(Br)c1NCC1(N2CCCC2)CCOCC1 ZINC000596113994 567610368 /nfs/dbraw/zinc/61/03/68/567610368.db2.gz GVEPVWIISPCJAP-UHFFFAOYSA-N 0 3 384.274 3.414 20 5 GGBDHN CCCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000553693566 567676467 /nfs/dbraw/zinc/67/64/67/567676467.db2.gz DJCDMVXDTMIQMX-LBPRGKRZSA-N 0 3 384.274 3.270 20 5 GGBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000554128688 567711144 /nfs/dbraw/zinc/71/11/44/567711144.db2.gz QFZDRTPXSUIFFU-ZOWXZIJZSA-N 0 3 396.285 3.160 20 5 GGBDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000554128686 567711613 /nfs/dbraw/zinc/71/16/13/567711613.db2.gz QFZDRTPXSUIFFU-SLEUVZQESA-N 0 3 396.285 3.160 20 5 GGBDHN Cc1c(Br)cc(C(=O)N2CCC[C@@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000597710448 567712943 /nfs/dbraw/zinc/71/29/43/567712943.db2.gz MKIGARQAIZCMQA-KRWDZBQOSA-N 0 3 396.285 3.224 20 5 GGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCCSc2ccc(Cl)cc2)c1 ZINC000554194815 567715232 /nfs/dbraw/zinc/71/52/32/567715232.db2.gz QMWZCPRQEDXYEB-OAHLLOKOSA-N 0 3 382.869 3.370 20 5 GGBDHN O=C(N[C@H]1CCN(C2CCCCC2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000598220550 567748027 /nfs/dbraw/zinc/74/80/27/567748027.db2.gz QMRCCCWBXFYZPY-ZDUSSCGKSA-N 0 3 396.285 3.494 20 5 GGBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000598260347 567752358 /nfs/dbraw/zinc/75/23/58/567752358.db2.gz AZZSVTCOLJVEDD-GFCCVEGCSA-N 0 3 384.274 3.208 20 5 GGBDHN C[C@@H](SCCN(C)C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000533807054 567788719 /nfs/dbraw/zinc/78/87/19/567788719.db2.gz PGHUHBRCCHVSKD-LLVKDONJSA-N 0 3 380.495 3.340 20 5 GGBDHN C[C@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000599184163 567809453 /nfs/dbraw/zinc/80/94/53/567809453.db2.gz IUNLGKRMGNDVLL-GFCCVEGCSA-N 0 3 384.274 3.208 20 5 GGBDHN C[C@@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000599184165 567809477 /nfs/dbraw/zinc/80/94/77/567809477.db2.gz IUNLGKRMGNDVLL-LBPRGKRZSA-N 0 3 384.274 3.208 20 5 GGBDHN CCC(CC)[C@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])N1CCCC1 ZINC000012561768 570866228 /nfs/dbraw/zinc/86/62/28/570866228.db2.gz FIVLSSMMUUMKDC-SFHVURJKSA-N 0 3 383.514 3.311 20 5 GGBDHN CCN1CCN(Cc2ccccc2CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000032916246 570927805 /nfs/dbraw/zinc/92/78/05/570927805.db2.gz CVDUVOIRVPCMHU-UHFFFAOYSA-N 0 3 399.451 3.253 20 5 GGBDHN C[C@@H](c1ccccc1)[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736205786 599168435 /nfs/dbraw/zinc/16/84/35/599168435.db2.gz ZDMKXFZQXBJCFI-AWEZNQCLSA-N 0 3 393.451 3.412 20 5 GGBDHN C[C@@H](c1ccccc1)[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736205786 599168437 /nfs/dbraw/zinc/16/84/37/599168437.db2.gz ZDMKXFZQXBJCFI-AWEZNQCLSA-N 0 3 393.451 3.412 20 5 GGBDHN CC[NH+](CC)Cc1ccccc1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821198867 599327224 /nfs/dbraw/zinc/32/72/24/599327224.db2.gz XADMPFSMZGLPHE-UHFFFAOYSA-N 0 3 381.440 3.229 20 5 GGBDHN CC[NH+](CC)Cc1ccccc1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821198867 599327226 /nfs/dbraw/zinc/32/72/26/599327226.db2.gz XADMPFSMZGLPHE-UHFFFAOYSA-N 0 3 381.440 3.229 20 5 GGBDHN C[N@@H+]1CCC[C@H](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000821623493 599581689 /nfs/dbraw/zinc/58/16/89/599581689.db2.gz MBRYVEQOBQKTGK-CXAGYDPISA-N 0 3 399.480 3.331 20 5 GGBDHN C[N@H+]1CCC[C@H](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000821623493 599581691 /nfs/dbraw/zinc/58/16/91/599581691.db2.gz MBRYVEQOBQKTGK-CXAGYDPISA-N 0 3 399.480 3.331 20 5 GGBDHN C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000820669138 606199364 /nfs/dbraw/zinc/19/93/64/606199364.db2.gz YWQMNHCEGRZQAP-PBHICJAKSA-N 0 3 393.451 3.240 20 5 GGBDHN C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000820669138 606199366 /nfs/dbraw/zinc/19/93/66/606199366.db2.gz YWQMNHCEGRZQAP-PBHICJAKSA-N 0 3 393.451 3.240 20 5 GGBDHN O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC000826500185 607817356 /nfs/dbraw/zinc/81/73/56/607817356.db2.gz NWAAUFOUCOHMDF-FZKQIMNGSA-N 0 3 396.426 3.415 20 5 GGBDHN O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC000826500185 607817357 /nfs/dbraw/zinc/81/73/57/607817357.db2.gz NWAAUFOUCOHMDF-FZKQIMNGSA-N 0 3 396.426 3.415 20 5 GGBDHN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826500434 608285134 /nfs/dbraw/zinc/28/51/34/608285134.db2.gz YHVPNKQQHUWGNB-SCLBCKFNSA-N 0 3 396.426 3.415 20 5 GGBDHN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826500434 608285135 /nfs/dbraw/zinc/28/51/35/608285135.db2.gz YHVPNKQQHUWGNB-SCLBCKFNSA-N 0 3 396.426 3.415 20 5 GGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825127807 608493126 /nfs/dbraw/zinc/49/31/26/608493126.db2.gz OLPWBQYPYXSERX-OAHLLOKOSA-N 0 3 384.465 3.435 20 5 GGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825127807 608493127 /nfs/dbraw/zinc/49/31/27/608493127.db2.gz OLPWBQYPYXSERX-OAHLLOKOSA-N 0 3 384.465 3.435 20 5 GGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN(Cc2ccccc2)C[C@H]2CCCO2)c1 ZINC000053233889 1406337600 /nfs/dbraw/zinc/33/76/00/1406337600.db2.gz VREBHNUHJDBLKK-PZJWPPBQSA-N 0 3 386.448 3.016 20 5 GGBDHN Cc1ccc([N+](=O)[O-])c(OCC(=O)N2CCCN(Cc3ccccc3C)CC2)c1 ZINC000053542930 1406436182 /nfs/dbraw/zinc/43/61/82/1406436182.db2.gz LUKFQNATHGJDAD-UHFFFAOYSA-N 0 3 397.475 3.325 20 5 GGBDHN CNC(=O)c1ccc(NC[C@@H](c2ccccc2OC)N2CCCC2)c([N+](=O)[O-])c1 ZINC000053550367 1406439435 /nfs/dbraw/zinc/43/94/35/1406439435.db2.gz MLXKZUGLUNAWNR-IBGZPJMESA-N 0 3 398.463 3.212 20 5 GGBDHN CC(C)NC(=O)c1ccc(N[C@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000054359409 1406700347 /nfs/dbraw/zinc/70/03/47/1406700347.db2.gz WVOKEQJBXAILNO-SFHVURJKSA-N 0 3 382.464 3.419 20 5 GGBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000054718266 1406812088 /nfs/dbraw/zinc/81/20/88/1406812088.db2.gz BBHSJZBDCAQTTJ-LPHOPBHVSA-N 0 3 397.479 3.141 20 5 GGBDHN CCN1CCN(c2ccc(NC(=O)CCNc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000010895131 1398929722 /nfs/dbraw/zinc/92/97/22/1398929722.db2.gz ISDPFDPJPHCLIJ-UHFFFAOYSA-N 0 3 397.479 3.177 20 5 GGBDHN CN(C)[C@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000016259073 1399224916 /nfs/dbraw/zinc/22/49/16/1399224916.db2.gz ZLPOPXXVKSPZTC-SFHVURJKSA-N 0 3 382.464 3.072 20 5 GGBDHN CN(C)[C@@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000016599260 1399251534 /nfs/dbraw/zinc/25/15/34/1399251534.db2.gz SJKIJXHYRDBICG-NRFANRHFSA-N 0 3 396.491 3.230 20 5 GGBDHN CCN1CCN(c2ccc(NC(=O)COc3ccc([N+](=O)[O-])c(C)c3)cc2)CC1 ZINC000021481591 1399384862 /nfs/dbraw/zinc/38/48/62/1399384862.db2.gz WIKZWXORMVURAT-UHFFFAOYSA-N 0 3 398.463 3.063 20 5 GGBDHN CCN(CC)[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000022700561 1399492894 /nfs/dbraw/zinc/49/28/94/1399492894.db2.gz QUKIGFBWPWHPQC-HXUWFJFHSA-N 0 3 385.464 3.345 20 5 GGBDHN O=C(NCC1CCN(Cc2ccncc2)CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000023015795 1399525496 /nfs/dbraw/zinc/52/54/96/1399525496.db2.gz IEGPIUDZBRXCLO-UHFFFAOYSA-N 0 3 388.855 3.285 20 5 GGBDHN CNc1ccc(C(=O)NC[C@@H](C(C)C)N2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000025535306 1399817852 /nfs/dbraw/zinc/81/78/52/1399817852.db2.gz VYFXNMIRFBSJQA-NRFANRHFSA-N 0 3 396.491 3.449 20 5 GGBDHN COc1ccc(CN(C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c(OC)c1 ZINC000026225085 1399870908 /nfs/dbraw/zinc/87/09/08/1399870908.db2.gz QCEUAMJVFXXJRX-UHFFFAOYSA-N 0 3 387.436 3.381 20 5 GGBDHN COC(=O)c1ccc(CN(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000026321636 1399878026 /nfs/dbraw/zinc/87/80/26/1399878026.db2.gz PYUXJBUEVOUQNX-UHFFFAOYSA-N 0 3 385.420 3.150 20 5 GGBDHN CN(Cc1ccc(OC(F)F)cc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026712802 1399924677 /nfs/dbraw/zinc/92/46/77/1399924677.db2.gz HGGFPNXVXJSDCU-OAHLLOKOSA-N 0 3 382.363 3.068 20 5 GGBDHN C[C@@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000026730065 1399926413 /nfs/dbraw/zinc/92/64/13/1399926413.db2.gz BYFLXRYMQYLDOJ-HNNXBMFYSA-N 0 3 394.475 3.346 20 5 GGBDHN COc1cccc([C@@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])N(C)C)c1 ZINC000028749842 1400191627 /nfs/dbraw/zinc/19/16/27/1400191627.db2.gz VJJALRGGRLPTTD-HXUWFJFHSA-N 0 3 398.463 3.210 20 5 GGBDHN C[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1OC(F)F ZINC000028922054 1400211730 /nfs/dbraw/zinc/21/17/30/1400211730.db2.gz LYKWUCNPANLCSQ-JSGCOSHPSA-N 0 3 382.363 3.287 20 5 GGBDHN COc1ccc(C(=O)NC[C@@H](C(C)C)N2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000029173790 1400253947 /nfs/dbraw/zinc/25/39/47/1400253947.db2.gz MLEHTPSMSNTFGA-FQEVSTJZSA-N 0 3 397.475 3.416 20 5 GGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000043122352 1403712969 /nfs/dbraw/zinc/71/29/69/1403712969.db2.gz YLIKKWNEOGWEQP-UHFFFAOYSA-N 0 3 394.497 3.087 20 5 GGBDHN Cc1c(NC(=O)NCC2(N3CCSCC3)CCCC2)cccc1[N+](=O)[O-] ZINC000043346367 1403750782 /nfs/dbraw/zinc/75/07/82/1403750782.db2.gz AWQHGCPMQSPBTI-UHFFFAOYSA-N 0 3 378.498 3.386 20 5 GGBDHN Cc1ccccc1CN1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000045799587 1404207983 /nfs/dbraw/zinc/20/79/83/1404207983.db2.gz IGIGOGGQXFUQJI-UHFFFAOYSA-N 0 3 396.491 3.358 20 5 GGBDHN Cc1cccc(CN2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000045799545 1404208058 /nfs/dbraw/zinc/20/80/58/1404208058.db2.gz VXTMIDKAOJNQDA-UHFFFAOYSA-N 0 3 382.464 3.050 20 5 GGBDHN CC[C@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000046768699 1404583409 /nfs/dbraw/zinc/58/34/09/1404583409.db2.gz SSUCRSMVONTEHO-LJQANCHMSA-N 0 3 396.491 3.350 20 5 GGBDHN C[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@@H](C)C1 ZINC000047119475 1404712793 /nfs/dbraw/zinc/71/27/93/1404712793.db2.gz HDOXYJVTSFWKGJ-MSOLQXFVSA-N 0 3 391.515 3.391 20 5 GGBDHN O=C(NCCCCN1CCN(c2ccccc2)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000047322949 1404805855 /nfs/dbraw/zinc/80/58/55/1404805855.db2.gz XYFVWKUHOMITOE-UHFFFAOYSA-N 0 3 397.479 3.319 20 5 GGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000048039682 1405030016 /nfs/dbraw/zinc/03/00/16/1405030016.db2.gz LFTHLUIQLDMDMU-UHFFFAOYSA-N 0 3 390.415 3.338 20 5 GGBDHN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132839 1405728200 /nfs/dbraw/zinc/72/82/00/1405728200.db2.gz TUKBBMCSVHFRJO-AZUAARDMSA-N 0 3 383.448 3.293 20 5 GGBDHN CC(C)CN(CCN(C)C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000051468857 1405816150 /nfs/dbraw/zinc/81/61/50/1405816150.db2.gz YYXDVXUVTXTEBY-UHFFFAOYSA-N 0 3 376.482 3.378 20 5 GGBDHN CN(C)[C@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000052486087 1406062754 /nfs/dbraw/zinc/06/27/54/1406062754.db2.gz QBUUGYFKOCZCAU-LJQANCHMSA-N 0 3 386.427 3.341 20 5 GGBDHN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@H](c1ccccc1)N(C)C ZINC000058541008 1407842547 /nfs/dbraw/zinc/84/25/47/1407842547.db2.gz JWAHHMXMZQZCAV-MRXNPFEDSA-N 0 3 388.380 3.004 20 5 GGBDHN CCN1CCN([C@@H](C)CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000059389339 1407921618 /nfs/dbraw/zinc/92/16/18/1407921618.db2.gz OAICARARYHTBQG-KRWDZBQOSA-N 0 3 396.491 3.264 20 5 GGBDHN CS(=O)(=O)c1ccc(NC2CCN(CC3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000063282617 1408328361 /nfs/dbraw/zinc/32/83/61/1408328361.db2.gz GPBYGUIBLPYEAU-UHFFFAOYSA-N 0 3 381.498 3.065 20 5 GGBDHN Cc1c(NC(=O)CCN(C)C[C@@H]2COc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000063482470 1408361623 /nfs/dbraw/zinc/36/16/23/1408361623.db2.gz XLLUJEYEPYYWFO-OAHLLOKOSA-N 0 3 385.420 3.004 20 5 GGBDHN C[C@H](NC(=O)N(CCN(C)C)Cc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000176426643 1428316520 /nfs/dbraw/zinc/31/65/20/1428316520.db2.gz LERZRONANLNUOT-AWEZNQCLSA-N 0 3 376.482 3.491 20 5 GGBDHN O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000064521111 1408573116 /nfs/dbraw/zinc/57/31/16/1408573116.db2.gz MFDPPRSMYXNFQN-CYBMUJFWSA-N 0 3 377.441 3.437 20 5 GGBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC(C)(C)N2CCC[C@H](C)C2)c1C ZINC000064965178 1408632809 /nfs/dbraw/zinc/63/28/09/1408632809.db2.gz IUZVLVRHYWXASX-ZDUSSCGKSA-N 0 3 383.514 3.000 20 5 GGBDHN CN(CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)Cc1ccccc1 ZINC000065450267 1408671219 /nfs/dbraw/zinc/67/12/19/1408671219.db2.gz MVTGBCJVYRADPL-UHFFFAOYSA-N 0 3 394.378 3.450 20 5 GGBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCN(CC2CCCCC2)CC1 ZINC000065756525 1408724631 /nfs/dbraw/zinc/72/46/31/1408724631.db2.gz AFUWGFQCOBLKRZ-UHFFFAOYSA-N 0 3 384.480 3.274 20 5 GGBDHN CCN1CCN(c2ccc(NC(=O)CNc3ccccc3[N+](=O)[O-])c(C)c2)CC1 ZINC000065858048 1408743094 /nfs/dbraw/zinc/74/30/94/1408743094.db2.gz OFHBCHKLGVHVEQ-UHFFFAOYSA-N 0 3 397.479 3.096 20 5 GGBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000065881046 1408747303 /nfs/dbraw/zinc/74/73/03/1408747303.db2.gz LQQXXLBNLHSNNS-GOSISDBHSA-N 0 3 385.439 3.305 20 5 GGBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000065936770 1408757613 /nfs/dbraw/zinc/75/76/13/1408757613.db2.gz JGWHYVNYBLWWFG-UHFFFAOYSA-N 0 3 391.855 3.217 20 5 GGBDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000067203586 1409040454 /nfs/dbraw/zinc/04/04/54/1409040454.db2.gz IKDMJLVKMXEXHM-GOSISDBHSA-N 0 3 394.475 3.328 20 5 GGBDHN C[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)N1CCC(C)CC1 ZINC000067271538 1409060219 /nfs/dbraw/zinc/06/02/19/1409060219.db2.gz SUSNAFRPWOFGEV-SFHVURJKSA-N 0 3 391.515 3.391 20 5 GGBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@@H]32)c1 ZINC000067543625 1409154064 /nfs/dbraw/zinc/15/40/64/1409154064.db2.gz RXVRLHCHQLBBFX-HKUYNNGSSA-N 0 3 381.432 3.360 20 5 GGBDHN Cc1c(NC(=O)[C@@H](C)N2CCN(CC3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000067648712 1409197852 /nfs/dbraw/zinc/19/78/52/1409197852.db2.gz HKNABYCNGCIOHW-QGZVFWFLSA-N 0 3 388.512 3.428 20 5 GGBDHN COc1ccc(CC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000067818776 1409237583 /nfs/dbraw/zinc/23/75/83/1409237583.db2.gz VRXRYDLZEUVGSA-YJBOKZPZSA-N 0 3 383.448 3.098 20 5 GGBDHN COc1ccc(CC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1[N+](=O)[O-] ZINC000067901730 1409252825 /nfs/dbraw/zinc/25/28/25/1409252825.db2.gz TXQLCPMRQBUAFH-INIZCTEOSA-N 0 3 389.477 3.161 20 5 GGBDHN Cc1ccc(CN(CCN(C)C)C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)o1 ZINC000068467700 1409411662 /nfs/dbraw/zinc/41/16/62/1409411662.db2.gz YHYJWECCELXBEG-UHFFFAOYSA-N 0 3 384.436 3.041 20 5 GGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000068555199 1409437722 /nfs/dbraw/zinc/43/77/22/1409437722.db2.gz GVFSVTHXXWWNAG-HOTGVXAUSA-N 0 3 390.484 3.256 20 5 GGBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000176698327 1428416731 /nfs/dbraw/zinc/41/67/31/1428416731.db2.gz BIRLVSFXLZDNNV-BZUAXINKSA-N 0 3 395.525 3.081 20 5 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O=[N+]([O-])c1ccn(CCN[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)n1 ZINC000124129780 1414891281 /nfs/dbraw/zinc/89/12/81/1414891281.db2.gz PRHSIDSYUSNJIV-GOSISDBHSA-N 0 3 394.410 3.311 20 5 GGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000124541962 1414990621 /nfs/dbraw/zinc/99/06/21/1414990621.db2.gz SIBDAJZLEIOHCX-HXUWFJFHSA-N 0 3 382.464 3.221 20 5 GGBDHN CCC[C@@H](NCc1ccc(N2CCN(C)CC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000177826963 1428866206 /nfs/dbraw/zinc/86/62/06/1428866206.db2.gz WVPKCCWSICSQIN-HXUWFJFHSA-N 0 3 383.496 3.373 20 5 GGBDHN Cc1ccc([C@@H](C)NC(=O)CCN2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000177856272 1428874591 /nfs/dbraw/zinc/87/45/91/1428874591.db2.gz FECUGJPUSYMNEB-GOSISDBHSA-N 0 3 396.491 3.293 20 5 GGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(OC3CCCCC3)CC2)c1 ZINC000125488444 1415212802 /nfs/dbraw/zinc/21/28/02/1415212802.db2.gz GAAOQUGDGUOBNV-KRWDZBQOSA-N 0 3 378.469 3.148 20 5 GGBDHN O=[N+]([O-])c1ccn(CCN2CCN(C3c4ccccc4-c4ccccc43)CC2)n1 ZINC000125814841 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O=C(CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccc2c(c1)OCO2 ZINC000153225139 1422400238 /nfs/dbraw/zinc/40/02/38/1422400238.db2.gz CFMWWWLTSOBKBT-UHFFFAOYSA-N 0 3 383.404 3.317 20 5 GGBDHN COc1ccc(C[C@@H](C)CN(C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000153367857 1422499397 /nfs/dbraw/zinc/49/93/97/1422499397.db2.gz QCVZVQJQPJVCSJ-MRXNPFEDSA-N 0 3 385.464 3.377 20 5 GGBDHN O=C(NC1CC1)c1ccc(CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000153707092 1422713777 /nfs/dbraw/zinc/71/37/77/1422713777.db2.gz UNKPNNRLHBGMJD-NRFANRHFSA-N 0 3 395.459 3.185 20 5 GGBDHN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)[C@@H]3CCCN(C)C3)cc2[N+](=O)[O-])C1 ZINC000153745899 1422735644 /nfs/dbraw/zinc/73/56/44/1422735644.db2.gz JXVKBGOUONZAMG-SOLBZPMBSA-N 0 3 388.512 3.243 20 5 GGBDHN CCOc1ccc([C@@H](C)N[C@H]2CCN(C(=O)C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000154268126 1422864605 /nfs/dbraw/zinc/86/46/05/1422864605.db2.gz SXGFWSDEVYBWQH-PBHICJAKSA-N 0 3 375.469 3.435 20 5 GGBDHN Cc1c(NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)cccc1[N+](=O)[O-] ZINC000154392732 1422883035 /nfs/dbraw/zinc/88/30/35/1422883035.db2.gz DSDMSUMAULWIMF-UHFFFAOYSA-N 0 3 383.448 3.360 20 5 GGBDHN COc1cc(CN2CCC[C@H](CO)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000154618160 1422965448 /nfs/dbraw/zinc/96/54/48/1422965448.db2.gz CBQANILVZWXBEG-SFHVURJKSA-N 0 3 386.448 3.387 20 5 GGBDHN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154640639 1422977544 /nfs/dbraw/zinc/97/75/44/1422977544.db2.gz VAPLUXGFNXAAAA-HFTRVMKXSA-N 0 3 393.484 3.253 20 5 GGBDHN CC(C)(CNC(=O)CCc1cccc([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000154673218 1422996787 /nfs/dbraw/zinc/99/67/87/1422996787.db2.gz JQZWQAYWLGSWQJ-UHFFFAOYSA-N 0 3 381.476 3.481 20 5 GGBDHN Cc1ccc([C@@H](C)NCc2cccc(OCCN3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000155164027 1423204581 /nfs/dbraw/zinc/20/45/81/1423204581.db2.gz AXYIHPDLYBLCBX-GOSISDBHSA-N 0 3 399.491 3.465 20 5 GGBDHN Cc1c([C@@H](C)NCc2cccc(OCCN3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000155169170 1423207748 /nfs/dbraw/zinc/20/77/48/1423207748.db2.gz PMYYIIYCEVRZQW-GOSISDBHSA-N 0 3 399.491 3.465 20 5 GGBDHN CC(C)(C)C(=O)N1CCC(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000158596090 1424298431 /nfs/dbraw/zinc/29/84/31/1424298431.db2.gz ZQRQCHFAMGYLNR-UHFFFAOYSA-N 0 3 388.512 3.002 20 5 GGBDHN CN(C)CCN(Cc1ccccc1F)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000159533421 1424511039 /nfs/dbraw/zinc/51/10/39/1424511039.db2.gz LTLZYFXXMZNMFY-UHFFFAOYSA-N 0 3 398.438 3.348 20 5 GGBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000159566880 1424515037 /nfs/dbraw/zinc/51/50/37/1424515037.db2.gz ZIXRQUAMGNFFTM-FQEVSTJZSA-N 0 3 382.464 3.274 20 5 GGBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000159566740 1424515059 /nfs/dbraw/zinc/51/50/59/1424515059.db2.gz ZIXRQUAMGNFFTM-HXUWFJFHSA-N 0 3 382.464 3.274 20 5 GGBDHN CCC[C@H]1CN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CCN1CCOC ZINC000159766365 1424532563 /nfs/dbraw/zinc/53/25/63/1424532563.db2.gz JMFVJPCARRLJDY-HNNXBMFYSA-N 0 3 394.497 3.262 20 5 GGBDHN CCN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000159778359 1424534123 /nfs/dbraw/zinc/53/41/23/1424534123.db2.gz CLZGZMPHUXIYAO-HXUWFJFHSA-N 0 3 382.464 3.401 20 5 GGBDHN COc1cc(C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000161506419 1424696725 /nfs/dbraw/zinc/69/67/25/1424696725.db2.gz USMGOXKZMYQJQN-UHFFFAOYSA-N 0 3 391.855 3.461 20 5 GGBDHN CN(C)[C@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)Cc1ccccc1 ZINC000162469410 1424856231 /nfs/dbraw/zinc/85/62/31/1424856231.db2.gz XRGASIOOQNVZMT-NRFANRHFSA-N 0 3 396.491 3.442 20 5 GGBDHN CC[C@](C)(COc1ncccc1Cl)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000162500381 1424859765 /nfs/dbraw/zinc/85/97/65/1424859765.db2.gz LKPSWHBFAZTSIP-GOSISDBHSA-N 0 3 392.843 3.079 20 5 GGBDHN CC[C@](C)(COc1ncccc1Cl)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000162528762 1424862404 /nfs/dbraw/zinc/86/24/04/1424862404.db2.gz VBGWIVIRJIQZIZ-GOSISDBHSA-N 0 3 392.843 3.419 20 5 GGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)[C@H]1COc2ccccc21 ZINC000163050691 1424931458 /nfs/dbraw/zinc/93/14/58/1424931458.db2.gz PJHUYDWYOBPDLS-DVOMOZLQSA-N 0 3 385.420 3.085 20 5 GGBDHN CC(C)OC(=O)C[C@H](NC(=O)C[C@H](N)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000163338946 1424980976 /nfs/dbraw/zinc/98/09/76/1424980976.db2.gz SXFZPAIFXHLLPI-ROUUACIJSA-N 0 3 399.447 3.184 20 5 GGBDHN CC(C)OC(=O)C[C@H](NC(=O)C[C@@H](N)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000163339215 1424981482 /nfs/dbraw/zinc/98/14/82/1424981482.db2.gz SXFZPAIFXHLLPI-MSOLQXFVSA-N 0 3 399.447 3.184 20 5 GGBDHN Cc1c(CN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cccc1[N+](=O)[O-] ZINC000170834581 1425361026 /nfs/dbraw/zinc/36/10/26/1425361026.db2.gz WZKZHONLIUPVTA-UHFFFAOYSA-N 0 3 397.431 3.483 20 5 GGBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCCN(c4nccs4)CC3)o2)c1 ZINC000170914032 1425388756 /nfs/dbraw/zinc/38/87/56/1425388756.db2.gz FSFYNDNYQSXWKD-UHFFFAOYSA-N 0 3 399.476 3.461 20 5 GGBDHN CCc1n[n-]c(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000171371339 1425646027 /nfs/dbraw/zinc/64/60/27/1425646027.db2.gz BNGMORFGAHTBKO-HNNXBMFYSA-N 0 3 391.859 3.101 20 5 GGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000171826398 1425829884 /nfs/dbraw/zinc/82/98/84/1425829884.db2.gz TXQHMDJWLUCVNU-UHFFFAOYSA-N 0 3 398.463 3.144 20 5 GGBDHN COc1ccc(NC(=O)CCCN2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000171826428 1425829996 /nfs/dbraw/zinc/82/99/96/1425829996.db2.gz PUWJGINLLBPJEV-UHFFFAOYSA-N 0 3 398.463 3.144 20 5 GGBDHN COc1cc(CNC[C@](C)(O)C(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000171842810 1425833285 /nfs/dbraw/zinc/83/32/85/1425833285.db2.gz AVRVMSLZUALRFB-HNNXBMFYSA-N 0 3 380.363 3.041 20 5 GGBDHN COc1cc(CNC[C@@](C)(O)C(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000171842804 1425833337 /nfs/dbraw/zinc/83/33/37/1425833337.db2.gz AVRVMSLZUALRFB-OAHLLOKOSA-N 0 3 380.363 3.041 20 5 GGBDHN CCN1CCN([C@H](C)CNC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000171979352 1425866614 /nfs/dbraw/zinc/86/66/14/1425866614.db2.gz JCJTXAIRDOPHEY-QGZVFWFLSA-N 0 3 376.504 3.144 20 5 GGBDHN NC(=O)c1cccc(CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000172119532 1425902342 /nfs/dbraw/zinc/90/23/42/1425902342.db2.gz ZCXLMNZZDSWJGB-UHFFFAOYSA-N 0 3 382.445 3.150 20 5 GGBDHN CCOC(=O)c1ccnc(N2CC[C@@H](C)N(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000172813685 1426201253 /nfs/dbraw/zinc/20/12/53/1426201253.db2.gz LKLIZBMAICICFB-MRXNPFEDSA-N 0 3 398.463 3.267 20 5 GGBDHN C[C@@H](N[C@H](C)c1cccc(-n2cccn2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000173198758 1426388454 /nfs/dbraw/zinc/38/84/54/1426388454.db2.gz LLJAJBBGVBEPBN-HUUCEWRRSA-N 0 3 379.420 3.458 20 5 GGBDHN C[C@@H](N[C@@H](C)c1cccc(-n2cccn2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000173202848 1426391144 /nfs/dbraw/zinc/39/11/44/1426391144.db2.gz SVEGUQSIKGJAMX-LSDHHAIUSA-N 0 3 379.420 3.458 20 5 GGBDHN C[C@@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000173531107 1426705517 /nfs/dbraw/zinc/70/55/17/1426705517.db2.gz IIYAXFTUVUTOFL-QGZVFWFLSA-N 0 3 383.448 3.097 20 5 GGBDHN COc1cc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000173704351 1426826849 /nfs/dbraw/zinc/82/68/49/1426826849.db2.gz IOLSTFHWCQGNAC-GOSISDBHSA-N 0 3 383.448 3.340 20 5 GGBDHN C[C@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000173994318 1426931588 /nfs/dbraw/zinc/93/15/88/1426931588.db2.gz ITLVULAOCOJFAE-SFHVURJKSA-N 0 3 396.491 3.154 20 5 GGBDHN C[C@@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000173995751 1426932812 /nfs/dbraw/zinc/93/28/12/1426932812.db2.gz KBEXPMUADMAJBJ-QGZVFWFLSA-N 0 3 382.464 3.130 20 5 GGBDHN CCc1ccc(C(=O)N(C)C2CCN(CCc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000174156186 1427024875 /nfs/dbraw/zinc/02/48/75/1427024875.db2.gz XAJFGWRMVOZJSZ-UHFFFAOYSA-N 0 3 396.491 3.331 20 5 GGBDHN Cc1ccc(NC(=O)[C@@H]2CCCN(CCOc3ccccc3[N+](=O)[O-])C2)nc1 ZINC000174599160 1427250188 /nfs/dbraw/zinc/25/01/88/1427250188.db2.gz LFFMTLKZLXCERJ-MRXNPFEDSA-N 0 3 384.436 3.028 20 5 GGBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@@H](O)COc3ccc(F)cc3)CC2)cc1 ZINC000174802200 1427376995 /nfs/dbraw/zinc/37/69/95/1427376995.db2.gz NXRKIULBQNOLOL-QGZVFWFLSA-N 0 3 390.411 3.017 20 5 GGBDHN Cc1cccc(OC[C@@H](O)CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000174802568 1427377333 /nfs/dbraw/zinc/37/73/33/1427377333.db2.gz AJXFPMGQCZOTJH-SFHVURJKSA-N 0 3 386.448 3.186 20 5 GGBDHN CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000174946654 1427459769 /nfs/dbraw/zinc/45/97/69/1427459769.db2.gz KBHCTBMTYVRHBU-OAQYLSRUSA-N 0 3 396.491 3.154 20 5 GGBDHN CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000174946673 1427461020 /nfs/dbraw/zinc/46/10/20/1427461020.db2.gz KBHCTBMTYVRHBU-NRFANRHFSA-N 0 3 396.491 3.154 20 5 GGBDHN CN1CCC(N(Cc2ccccc2)C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000175024209 1427505669 /nfs/dbraw/zinc/50/56/69/1427505669.db2.gz YFRDHCCXFAYRFS-UHFFFAOYSA-N 0 3 383.448 3.097 20 5 GGBDHN CN1CCC(N(Cc2ccccc2)C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000175025423 1427506456 /nfs/dbraw/zinc/50/64/56/1427506456.db2.gz ZLXAGJMKMLZVDH-UHFFFAOYSA-N 0 3 382.464 3.130 20 5 GGBDHN CN1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000175064344 1427527195 /nfs/dbraw/zinc/52/71/95/1427527195.db2.gz BVIPBDNHPIXWOQ-UHFFFAOYSA-N 0 3 380.876 3.137 20 5 GGBDHN C[C@@H]1CCN(C(=O)NCc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000175172236 1427581127 /nfs/dbraw/zinc/58/11/27/1427581127.db2.gz KODJADVFATWSMB-QGZVFWFLSA-N 0 3 382.464 3.401 20 5 GGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000175280438 1427644846 /nfs/dbraw/zinc/64/48/46/1427644846.db2.gz MAURYLNLIXTFHA-UHFFFAOYSA-N 0 3 398.463 3.182 20 5 GGBDHN Cc1c(NC(=O)NCc2ccccc2CN2CCC(O)CC2)cccc1[N+](=O)[O-] ZINC000175303173 1427661733 /nfs/dbraw/zinc/66/17/33/1427661733.db2.gz UXGIPLJWKYDDAQ-UHFFFAOYSA-N 0 3 398.463 3.182 20 5 GGBDHN CN(C)CCN(Cc1cccs1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000175652428 1427845472 /nfs/dbraw/zinc/84/54/72/1427845472.db2.gz IAOBHARQVMOFKP-UHFFFAOYSA-N 0 3 399.476 3.046 20 5 GGBDHN CN(CC(=O)N(Cc1ccccc1)C1CCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000175700924 1427863475 /nfs/dbraw/zinc/86/34/75/1427863475.db2.gz WGXIEEKSRODESY-UHFFFAOYSA-N 0 3 396.491 3.154 20 5 GGBDHN C[C@@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000175977042 1428009078 /nfs/dbraw/zinc/00/90/78/1428009078.db2.gz LYYMGQDFKDOYLL-QGZVFWFLSA-N 0 3 382.464 3.401 20 5 GGBDHN Cc1csc(Sc2ccc(C(=O)NCCN3CCCC3)cc2[N+](=O)[O-])n1 ZINC000176007138 1428024084 /nfs/dbraw/zinc/02/40/84/1428024084.db2.gz CRDAWHJUBZDXHB-UHFFFAOYSA-N 0 3 392.506 3.337 20 5 GGBDHN CN1CCC(N(Cc2ccccc2)C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000176014428 1428027378 /nfs/dbraw/zinc/02/73/78/1428027378.db2.gz XIPFDNVOBPWZIC-UHFFFAOYSA-N 0 3 382.464 3.401 20 5 GGBDHN C[C@H]1CN(CC2CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000176060755 1428059060 /nfs/dbraw/zinc/05/90/60/1428059060.db2.gz PEKKWHPAELXIQE-KBPBESRZSA-N 0 3 395.887 3.210 20 5 GGBDHN CN1CCC(N(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000176125033 1428098255 /nfs/dbraw/zinc/09/82/55/1428098255.db2.gz MHOGTLWMAFJWFR-UHFFFAOYSA-N 0 3 398.419 3.240 20 5 GGBDHN O=[N+]([O-])c1ccn(CCN2CCC(c3nc4cc(Cl)ccc4o3)CC2)n1 ZINC000176210888 1428169629 /nfs/dbraw/zinc/16/96/29/1428169629.db2.gz NSNQAAPMSDYHMY-UHFFFAOYSA-N 0 3 375.816 3.466 20 5 GGBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176249238 1428194618 /nfs/dbraw/zinc/19/46/18/1428194618.db2.gz SFZTWMUERUQDBK-UHFFFAOYSA-N 0 3 376.844 3.034 20 5 GGBDHN C[C@@H](N[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000180399271 1429856922 /nfs/dbraw/zinc/85/69/22/1429856922.db2.gz KRCHYAGLCQXYFI-FUHIMQAGSA-N 0 3 396.491 3.025 20 5 GGBDHN C[C@@H](NCCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180420331 1429864280 /nfs/dbraw/zinc/86/42/80/1429864280.db2.gz GTHDYLAMUKTBIH-OAHLLOKOSA-N 0 3 396.447 3.401 20 5 GGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180457736 1429874094 /nfs/dbraw/zinc/87/40/94/1429874094.db2.gz GAIPTNBVLODGRU-LBPRGKRZSA-N 0 3 388.380 3.191 20 5 GGBDHN COC(=O)[C@@H](O)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000180670133 1429966158 /nfs/dbraw/zinc/96/61/58/1429966158.db2.gz GMDPPQUISYPZIE-SFHVURJKSA-N 0 3 390.461 3.069 20 5 GGBDHN O=C(CN[C@@H](C[C@@H]1CCOC1)c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000181209636 1430248383 /nfs/dbraw/zinc/24/83/83/1430248383.db2.gz ZIFNTVYQWXTHMU-JXFKEZNVSA-N 0 3 395.459 3.241 20 5 GGBDHN O=C(CN[C@H](C[C@H]1CCOC1)c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000181209655 1430248395 /nfs/dbraw/zinc/24/83/95/1430248395.db2.gz ZIFNTVYQWXTHMU-OXQOHEQNSA-N 0 3 395.459 3.241 20 5 GGBDHN O=C(CN[C@@H](C[C@H]1CCOC1)c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000181209676 1430248417 /nfs/dbraw/zinc/24/84/17/1430248417.db2.gz ZIFNTVYQWXTHMU-UZLBHIALSA-N 0 3 395.459 3.241 20 5 GGBDHN Cc1cc(NCc2cccnc2N2CCOCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000181449197 1430301974 /nfs/dbraw/zinc/30/19/74/1430301974.db2.gz XCKYHRZOMWEDMG-UHFFFAOYSA-N 0 3 379.420 3.295 20 5 GGBDHN CCC[C@H](NCCN(C)S(=O)(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000181499120 1430311070 /nfs/dbraw/zinc/31/10/70/1430311070.db2.gz BIHXBHNVIGDKHL-INIZCTEOSA-N 0 3 397.522 3.408 20 5 GGBDHN CN(Cc1ccccc1N1CCCC1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181499363 1430311120 /nfs/dbraw/zinc/31/11/20/1430311120.db2.gz UDUAYRIXNBEXSQ-SFHVURJKSA-N 0 3 385.464 3.067 20 5 GGBDHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(OCC2CC2)c(F)c1 ZINC000181570584 1430322002 /nfs/dbraw/zinc/32/20/02/1430322002.db2.gz ZVRABRCKIHNLKS-ZDUSSCGKSA-N 0 3 375.400 3.035 20 5 GGBDHN Cc1ccc([C@H](C)NCCOc2cccc(S(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000181837409 1430369879 /nfs/dbraw/zinc/36/98/79/1430369879.db2.gz CZIRPCIXHPSBFQ-AWEZNQCLSA-N 0 3 378.450 3.036 20 5 GGBDHN C[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccc(N2CCCC2)c1 ZINC000181862412 1430373527 /nfs/dbraw/zinc/37/35/27/1430373527.db2.gz ORNWVVZHRRNMHO-INIZCTEOSA-N 0 3 394.475 3.435 20 5 GGBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000182065426 1430404694 /nfs/dbraw/zinc/40/46/94/1430404694.db2.gz XCORFPYEGCVWRL-MRXNPFEDSA-N 0 3 393.447 3.031 20 5 GGBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000182096135 1430411061 /nfs/dbraw/zinc/41/10/61/1430411061.db2.gz BOWMNHCICQDENW-MRXNPFEDSA-N 0 3 393.447 3.031 20 5 GGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000182160104 1430422238 /nfs/dbraw/zinc/42/22/38/1430422238.db2.gz LLTNGWOBWJEGTF-MRXNPFEDSA-N 0 3 396.447 3.090 20 5 GGBDHN COc1ccc([C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000182197529 1430428424 /nfs/dbraw/zinc/42/84/24/1430428424.db2.gz MXROVYRVRQBHFS-IBGZPJMESA-N 0 3 392.477 3.364 20 5 GGBDHN CCc1nc2c(s1)[C@H](N(C)C[C@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC000182205938 1430429943 /nfs/dbraw/zinc/42/99/43/1430429943.db2.gz VGMINFQVEUJBMY-XJKSGUPXSA-N 0 3 391.493 3.363 20 5 GGBDHN C[C@H](C(=O)NCC1(N2CCSCC2)CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000182666592 1430513292 /nfs/dbraw/zinc/51/32/92/1430513292.db2.gz MUCUMCNZYSODBT-AWEZNQCLSA-N 0 3 395.500 3.315 20 5 GGBDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000182901310 1430566388 /nfs/dbraw/zinc/56/63/88/1430566388.db2.gz MQIOTSAMHYXLOD-CQSZACIVSA-N 0 3 391.374 3.329 20 5 GGBDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000182901335 1430566529 /nfs/dbraw/zinc/56/65/29/1430566529.db2.gz MQIOTSAMHYXLOD-AWEZNQCLSA-N 0 3 391.374 3.329 20 5 GGBDHN O=[N+]([O-])c1ccc2oc(CN3CCC(CCCN4CCOCC4)CC3)nc2c1 ZINC000182965661 1430581830 /nfs/dbraw/zinc/58/18/30/1430581830.db2.gz BJKPFZDAWDHKSO-UHFFFAOYSA-N 0 3 388.468 3.060 20 5 GGBDHN C[C@H](C(=O)N(CCN(C)C)Cc1cccc(O)c1)c1ccc([N+](=O)[O-])cc1F ZINC000183319061 1430678164 /nfs/dbraw/zinc/67/81/64/1430678164.db2.gz QIFFUACWGVXCRX-AWEZNQCLSA-N 0 3 389.427 3.133 20 5 GGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000183583537 1430747018 /nfs/dbraw/zinc/74/70/18/1430747018.db2.gz SVAFGJKFTPVHLF-HNNXBMFYSA-N 0 3 379.420 3.378 20 5 GGBDHN C[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccc(-n2cccn2)c1 ZINC000183584047 1430747493 /nfs/dbraw/zinc/74/74/93/1430747493.db2.gz VHBCBNIBAOPMCV-HNNXBMFYSA-N 0 3 391.431 3.020 20 5 GGBDHN CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000184182189 1430852081 /nfs/dbraw/zinc/85/20/81/1430852081.db2.gz AZLLHPPRAPJZKJ-KRWDZBQOSA-N 0 3 393.447 3.208 20 5 GGBDHN CN1CCN(CCC(C)(C)NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000184218844 1430858087 /nfs/dbraw/zinc/85/80/87/1430858087.db2.gz ALMVGGRLJYYSBX-UHFFFAOYSA-N 0 3 390.528 3.038 20 5 GGBDHN CCN1CCN(c2cccc(NC(=O)CCOc3ccccc3[N+](=O)[O-])c2)CC1 ZINC000184265997 1430864783 /nfs/dbraw/zinc/86/47/83/1430864783.db2.gz QMGDCZYFSRMTBS-UHFFFAOYSA-N 0 3 398.463 3.144 20 5 GGBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000184838296 1430999219 /nfs/dbraw/zinc/99/92/19/1430999219.db2.gz STOLWCMDXJMGNN-SFHVURJKSA-N 0 3 391.512 3.169 20 5 GGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000184843003 1431000461 /nfs/dbraw/zinc/00/04/61/1431000461.db2.gz LDKOEFYSHKQZST-ZIFCJYIRSA-N 0 3 391.512 3.169 20 5 GGBDHN CCN1CCN(c2cccc(NC(=O)NCc3cccc([N+](=O)[O-])c3)c2)CC1 ZINC000184885908 1431012566 /nfs/dbraw/zinc/01/25/66/1431012566.db2.gz DVJJGUXCQRGHHT-UHFFFAOYSA-N 0 3 383.452 3.058 20 5 GGBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)[C@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC000185607877 1431182458 /nfs/dbraw/zinc/18/24/58/1431182458.db2.gz PEKSXWKYMSRUDV-HEHGZKQESA-N 0 3 385.420 3.085 20 5 GGBDHN CN1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccccc1 ZINC000185894270 1431266862 /nfs/dbraw/zinc/26/68/62/1431266862.db2.gz QMNUCOAVUUNCNS-ROUUACIJSA-N 0 3 388.855 3.493 20 5 GGBDHN Cc1c([C@H](C)NCc2ccc(N3CCCS3(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000186031830 1431314935 /nfs/dbraw/zinc/31/49/35/1431314935.db2.gz QKGDBLPMFHJELT-HNNXBMFYSA-N 0 3 389.477 3.294 20 5 GGBDHN Cc1c([C@@H](C)NCc2ccc(N3CCCS3(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000186031809 1431315157 /nfs/dbraw/zinc/31/51/57/1431315157.db2.gz QKGDBLPMFHJELT-OAHLLOKOSA-N 0 3 389.477 3.294 20 5 GGBDHN CCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000186298196 1431374899 /nfs/dbraw/zinc/37/48/99/1431374899.db2.gz ZXRTUAVRPUUUJT-GOSISDBHSA-N 0 3 383.448 3.340 20 5 GGBDHN CCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000186303896 1431376657 /nfs/dbraw/zinc/37/66/57/1431376657.db2.gz ARHLHFILNDGOSM-QGZVFWFLSA-N 0 3 397.431 3.060 20 5 GGBDHN CCOc1ccc(NC(=O)CN[C@H]2CCCO[C@@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000186386253 1431397708 /nfs/dbraw/zinc/39/77/08/1431397708.db2.gz LNDAQERTKHRSHR-FUHWJXTLSA-N 0 3 379.457 3.115 20 5 GGBDHN CCOc1ccc(NC(=O)CN[C@@H]2CCCO[C@@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000186386231 1431397865 /nfs/dbraw/zinc/39/78/65/1431397865.db2.gz LNDAQERTKHRSHR-SJLPKXTDSA-N 0 3 379.457 3.115 20 5 GGBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc(COc2ccccc2)[n-]1 ZINC000186426424 1431415403 /nfs/dbraw/zinc/41/54/03/1431415403.db2.gz YCPFXRXDWHGONM-OAHLLOKOSA-N 0 3 381.436 3.403 20 5 GGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@]2(C1)OCc1ccccc12 ZINC000186599020 1431464720 /nfs/dbraw/zinc/46/47/20/1431464720.db2.gz INGSBSSHTURLLL-OAQYLSRUSA-N 0 3 397.431 3.063 20 5 GGBDHN Cc1c(NC(=O)CCN2CC[C@]3(C2)OCc2ccccc23)cccc1[N+](=O)[O-] ZINC000186635463 1431475993 /nfs/dbraw/zinc/47/59/93/1431475993.db2.gz YRHWJEZDWMHFSO-OAQYLSRUSA-N 0 3 381.432 3.363 20 5 GGBDHN C[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@H](c1ccccc1)N(C)C ZINC000187213883 1431651396 /nfs/dbraw/zinc/65/13/96/1431651396.db2.gz RNYVRGJYTUPICP-FOIQADDNSA-N 0 3 393.447 3.202 20 5 GGBDHN C[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H](c1ccccc1)N(C)C ZINC000187233399 1431658864 /nfs/dbraw/zinc/65/88/64/1431658864.db2.gz CYHXSGIMCIJZSS-LHSJRXKWSA-N 0 3 380.448 3.426 20 5 GGBDHN C[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@@H](c1ccccc1)N(C)C ZINC000187241837 1431662058 /nfs/dbraw/zinc/66/20/58/1431662058.db2.gz RYVNTRQFZFBEEN-YWZLYKJASA-N 0 3 393.447 3.202 20 5 GGBDHN C[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@H](c1ccccc1)N(C)C ZINC000187241881 1431662225 /nfs/dbraw/zinc/66/22/25/1431662225.db2.gz RYVNTRQFZFBEEN-MGPUTAFESA-N 0 3 393.447 3.202 20 5 GGBDHN COc1cc(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)c([N+](=O)[O-])cc1OC ZINC000187253972 1431667512 /nfs/dbraw/zinc/66/75/12/1431667512.db2.gz FPQDCIPPECOQIF-BFUOFWGJSA-N 0 3 387.436 3.033 20 5 GGBDHN C[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000187264224 1431672485 /nfs/dbraw/zinc/67/24/85/1431672485.db2.gz CVBHPGQVMFADHV-YWZLYKJASA-N 0 3 393.447 3.202 20 5 GGBDHN COc1cc(CNC[C@H]2CC[C@H](O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000188808486 1431983703 /nfs/dbraw/zinc/98/37/03/1431983703.db2.gz UBZMZAVWSQCGRA-WMZOPIPTSA-N 0 3 386.448 3.433 20 5 GGBDHN COc1cc(CNC[C@@H]2CC[C@@H](O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000188808511 1431984038 /nfs/dbraw/zinc/98/40/38/1431984038.db2.gz UBZMZAVWSQCGRA-SJLPKXTDSA-N 0 3 386.448 3.433 20 5 GGBDHN COCc1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccc(OC)c(OC)c1)N(C)C ZINC000189406209 1432099667 /nfs/dbraw/zinc/09/96/67/1432099667.db2.gz ZJSLWLODMQKCGQ-SFHVURJKSA-N 0 3 389.452 3.473 20 5 GGBDHN CC(C)OC(=O)C[C@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000189582228 1432166543 /nfs/dbraw/zinc/16/65/43/1432166543.db2.gz SSRRUPULBWNJHT-CQSZACIVSA-N 0 3 395.431 3.116 20 5 GGBDHN O=C(CCN1CC[C@@]2(C1)OCc1ccccc12)Nc1cc([N+](=O)[O-])ccc1F ZINC000189587207 1432168790 /nfs/dbraw/zinc/16/87/90/1432168790.db2.gz RJHLOFUJNXPKKN-FQEVSTJZSA-N 0 3 385.395 3.194 20 5 GGBDHN COc1cc(CNC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000189627195 1432183539 /nfs/dbraw/zinc/18/35/39/1432183539.db2.gz QMZDFNVXMLMJKO-WBMJQRKESA-N 0 3 392.374 3.185 20 5 GGBDHN COc1cc(CNC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000189627215 1432183716 /nfs/dbraw/zinc/18/37/16/1432183716.db2.gz QMZDFNVXMLMJKO-MLGOLLRUSA-N 0 3 392.374 3.185 20 5 GGBDHN CCOC(=O)[C@@](C)(CN[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000189982508 1432299019 /nfs/dbraw/zinc/29/90/19/1432299019.db2.gz LEMDUSSTJZIRLY-BTYIYWSLSA-N 0 3 399.447 3.032 20 5 GGBDHN CCOC(=O)[C@](C)(CN[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000189987364 1432300177 /nfs/dbraw/zinc/30/01/77/1432300177.db2.gz NNYGLQKROZVUPP-QVKFZJNVSA-N 0 3 399.447 3.032 20 5 GGBDHN CCOC(=O)[C@@](C)(CN[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000189988725 1432300562 /nfs/dbraw/zinc/30/05/62/1432300562.db2.gz QPKMIHNZSJZPBU-BTYIYWSLSA-N 0 3 399.447 3.032 20 5 GGBDHN CCOC(=O)[C@](C)(CN[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000189988747 1432300738 /nfs/dbraw/zinc/30/07/38/1432300738.db2.gz QPKMIHNZSJZPBU-YCRPNKLZSA-N 0 3 399.447 3.032 20 5 GGBDHN CC(C)c1ccc(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000190045477 1432310269 /nfs/dbraw/zinc/31/02/69/1432310269.db2.gz PGPFJPWJFMADTG-IYBDPMFKSA-N 0 3 377.485 3.337 20 5 GGBDHN COc1cc(CN2CC[C@H](O)[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000190048586 1432311048 /nfs/dbraw/zinc/31/10/48/1432311048.db2.gz ZGEMIKISANKVDJ-BEFAXECRSA-N 0 3 386.448 3.385 20 5 GGBDHN COc1cc(CN[C@@H]2C[C@@H]3OCCC[C@H]23)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000190347347 1432365438 /nfs/dbraw/zinc/36/54/38/1432365438.db2.gz ISQKNUZJSGPMQU-BZPMIXESSA-N 0 3 390.358 3.202 20 5 GGBDHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000190422124 1432378792 /nfs/dbraw/zinc/37/87/92/1432378792.db2.gz SEQNZHBUYJONOL-IBGZPJMESA-N 0 3 384.436 3.007 20 5 GGBDHN Cc1ccc(NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000190839910 1432503564 /nfs/dbraw/zinc/50/35/64/1432503564.db2.gz IDKKLZGGBDTTFC-LJQANCHMSA-N 0 3 398.463 3.316 20 5 GGBDHN CCCn1ccnc1CCCN(C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000191490996 1432671088 /nfs/dbraw/zinc/67/10/88/1432671088.db2.gz PXQNHLPVLUORLR-INIZCTEOSA-N 0 3 387.484 3.401 20 5 GGBDHN CCOc1ccc([C@@H](C)NCCN2CCc3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000191621702 1432694294 /nfs/dbraw/zinc/69/42/94/1432694294.db2.gz RACMCZIBHUMXGC-OAHLLOKOSA-N 0 3 383.448 3.343 20 5 GGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000191936427 1432760293 /nfs/dbraw/zinc/76/02/93/1432760293.db2.gz LYHOGGIWSHCMQX-IBGZPJMESA-N 0 3 398.463 3.316 20 5 GGBDHN COc1cccc(CN(CCN(C)C)C(=O)Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000191954700 1432766025 /nfs/dbraw/zinc/76/60/25/1432766025.db2.gz HUSUIDRMPZVWQG-UHFFFAOYSA-N 0 3 385.464 3.045 20 5 GGBDHN COCc1cc([N+](=O)[O-])ccc1NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000192226837 1432819495 /nfs/dbraw/zinc/81/94/95/1432819495.db2.gz VAOBWVYQYRCXKZ-FQEVSTJZSA-N 0 3 385.464 3.444 20 5 GGBDHN COc1cccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)c1[N+](=O)[O-] ZINC000192466292 1432848100 /nfs/dbraw/zinc/84/81/00/1432848100.db2.gz BXILSGKDSKUXEM-SFHVURJKSA-N 0 3 383.448 3.479 20 5 GGBDHN CCC(CC)(CN[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)OC ZINC000192700327 1432876972 /nfs/dbraw/zinc/87/69/72/1432876972.db2.gz OAZTUTNAEVPZBT-NSHDSACASA-N 0 3 385.848 3.144 20 5 GGBDHN CNS(=O)(=O)c1ccc([C@@H](C)N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192725506 1432880443 /nfs/dbraw/zinc/88/04/43/1432880443.db2.gz SYRKSIFHBJUEMR-BFUOFWGJSA-N 0 3 389.477 3.231 20 5 GGBDHN O=C1[C@H](N[C@H](C[C@@H]2CCOC2)c2ccccc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000192761069 1432886140 /nfs/dbraw/zinc/88/61/40/1432886140.db2.gz ZRCTWNCKYUXNIJ-ZLGUVYLKSA-N 0 3 395.459 3.458 20 5 GGBDHN O=C1[C@H](N[C@@H](C[C@H]2CCOC2)c2ccccc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000192761113 1432886142 /nfs/dbraw/zinc/88/61/42/1432886142.db2.gz ZRCTWNCKYUXNIJ-HBGVWJBISA-N 0 3 395.459 3.458 20 5 GGBDHN O=C1[C@H](N[C@H](C[C@H]2CCOC2)c2ccccc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000192761097 1432886167 /nfs/dbraw/zinc/88/61/67/1432886167.db2.gz ZRCTWNCKYUXNIJ-MAODMQOUSA-N 0 3 395.459 3.458 20 5 GGBDHN C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000192865818 1432900801 /nfs/dbraw/zinc/90/08/01/1432900801.db2.gz JVAYPUSDIALLMX-MLGOLLRUSA-N 0 3 397.884 3.218 20 5 GGBDHN COc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N(C)C)cc1OC ZINC000192905843 1432905614 /nfs/dbraw/zinc/90/56/14/1432905614.db2.gz AHTLZNSQJULUHY-INIZCTEOSA-N 0 3 390.396 3.235 20 5 GGBDHN O=C(NCCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1c(F)cccc1F ZINC000192991702 1432918499 /nfs/dbraw/zinc/91/84/99/1432918499.db2.gz GURSKNLCRMRXFY-QGZVFWFLSA-N 0 3 375.375 3.270 20 5 GGBDHN COc1ccc([C@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C2CC2)cc1 ZINC000193354091 1432984897 /nfs/dbraw/zinc/98/48/97/1432984897.db2.gz ICUQRHJMSUVNTE-OAQYLSRUSA-N 0 3 381.432 3.233 20 5 GGBDHN COc1cccc([C@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)N(C)C)c1 ZINC000193599104 1433026380 /nfs/dbraw/zinc/02/63/80/1433026380.db2.gz NIXRUWJIHQYLQQ-IBGZPJMESA-N 0 3 384.436 3.203 20 5 GGBDHN C[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)N1CCc2ccccc2C1 ZINC000193838392 1433070259 /nfs/dbraw/zinc/07/02/59/1433070259.db2.gz BPYMYUMYXYBOFY-AWEZNQCLSA-N 0 3 380.448 3.338 20 5 GGBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000193946162 1433090085 /nfs/dbraw/zinc/09/00/85/1433090085.db2.gz KBKGTMWWZAZXPR-GOSISDBHSA-N 0 3 398.463 3.067 20 5 GGBDHN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000194352952 1433165917 /nfs/dbraw/zinc/16/59/17/1433165917.db2.gz QPKDUPBYYQIXEP-UHFFFAOYSA-N 0 3 399.488 3.011 20 5 GGBDHN COc1cccc(C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000194354438 1433166060 /nfs/dbraw/zinc/16/60/60/1433166060.db2.gz XUXFAXFVOSUEMN-UHFFFAOYSA-N 0 3 393.390 3.086 20 5 GGBDHN Cc1csc(Sc2ccc(C(=O)NC[C@H]3CCCN3C)cc2[N+](=O)[O-])n1 ZINC000194745465 1433223349 /nfs/dbraw/zinc/22/33/49/1433223349.db2.gz NPOPVRTUFZTMTA-CYBMUJFWSA-N 0 3 392.506 3.335 20 5 GGBDHN CC(C)N1CCN(c2ccc(C(=O)NCc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000195356706 1433322228 /nfs/dbraw/zinc/32/22/28/1433322228.db2.gz MNLUECJMZJUZNN-UHFFFAOYSA-N 0 3 382.464 3.055 20 5 GGBDHN CCN(CC)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000198116051 1433347386 /nfs/dbraw/zinc/34/73/86/1433347386.db2.gz HQNZKDPNAQQFBS-HXUWFJFHSA-N 0 3 385.464 3.345 20 5 GGBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC1(N2CCOCC2)CCCCC1 ZINC000236840385 1433380640 /nfs/dbraw/zinc/38/06/40/1433380640.db2.gz IZJOCFDJYLGULV-UHFFFAOYSA-N 0 3 377.485 3.118 20 5 GGBDHN Cc1csc(Sc2ccc(C(=O)N3C[C@@H](C)NC[C@H]3C)cc2[N+](=O)[O-])n1 ZINC000237359395 1433398942 /nfs/dbraw/zinc/39/89/42/1433398942.db2.gz BCLNKRZKBZGJSK-ZYHUDNBSSA-N 0 3 392.506 3.333 20 5 GGBDHN CCCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000246196097 1433580954 /nfs/dbraw/zinc/58/09/54/1433580954.db2.gz AGVMDQSROITWCQ-ZWKOTPCHSA-N 0 3 393.484 3.350 20 5 GGBDHN COc1cccc(CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]2CCCO2)c1 ZINC000246364326 1433600960 /nfs/dbraw/zinc/60/09/60/1433600960.db2.gz XUZOAHAJICEMPT-LEWJYISDSA-N 0 3 386.448 3.318 20 5 GGBDHN O=[N+]([O-])c1cccc([C@@H](O)CN(Cc2ccccc2)C[C@@H](O)c2ccco2)c1 ZINC000246378582 1433603333 /nfs/dbraw/zinc/60/33/33/1433603333.db2.gz ZIGLMIYXPXMUIE-VQTJNVASSA-N 0 3 382.416 3.457 20 5 GGBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000247204640 1433690585 /nfs/dbraw/zinc/69/05/85/1433690585.db2.gz CDSULLUPYGZRSG-QZTJIDSGSA-N 0 3 378.860 3.423 20 5 GGBDHN CCC1(CC)[C@H](N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1OC ZINC000247970814 1433759875 /nfs/dbraw/zinc/75/98/75/1433759875.db2.gz JFYNJBLVXFYPEN-JLZZUVOBSA-N 0 3 379.457 3.114 20 5 GGBDHN CCC1(CC)[C@H](N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@H]1OC ZINC000247970809 1433759996 /nfs/dbraw/zinc/75/99/96/1433759996.db2.gz JFYNJBLVXFYPEN-CSMYWGQOSA-N 0 3 379.457 3.114 20 5 GGBDHN Cc1nc2c(s1)[C@@H](N(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC000248464020 1433805127 /nfs/dbraw/zinc/80/51/27/1433805127.db2.gz QXQSWMVRUPETKI-CJNGLKHVSA-N 0 3 377.466 3.109 20 5 GGBDHN CN1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccccc1 ZINC000248628250 1433812369 /nfs/dbraw/zinc/81/23/69/1433812369.db2.gz QMNUCOAVUUNCNS-ZWKOTPCHSA-N 0 3 388.855 3.493 20 5 GGBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000248823579 1433824147 /nfs/dbraw/zinc/82/41/47/1433824147.db2.gz LQHPBRNHGVOHNP-YCRPNKLZSA-N 0 3 392.459 3.255 20 5 GGBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000248877497 1433827259 /nfs/dbraw/zinc/82/72/59/1433827259.db2.gz RHJIMXSZVDERKV-FUHWJXTLSA-N 0 3 383.448 3.000 20 5 GGBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000248916174 1433829523 /nfs/dbraw/zinc/82/95/23/1433829523.db2.gz WCCWTUDVLXQJJG-VQIMIIECSA-N 0 3 382.464 3.257 20 5 GGBDHN C[C@H](NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000248929925 1433829672 /nfs/dbraw/zinc/82/96/72/1433829672.db2.gz XQLUJQJNGIZZPB-TWOQFEAHSA-N 0 3 382.464 3.476 20 5 GGBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCN(CCCOCC(F)(F)F)CC1 ZINC000255766375 1433889193 /nfs/dbraw/zinc/88/91/93/1433889193.db2.gz DOKLCBABFZUQRU-UTCJRWHESA-N 0 3 387.402 3.195 20 5 GGBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCNC[C@@H]1c1ccccc1Cl ZINC000262179403 1433929754 /nfs/dbraw/zinc/92/97/54/1433929754.db2.gz IMLWPBLEMAODSW-QGZVFWFLSA-N 0 3 388.855 3.142 20 5 GGBDHN Cc1csc(Sc2ccc(C(=O)N3CCN[C@@H](C)[C@@H]3C)cc2[N+](=O)[O-])n1 ZINC000262691797 1433950540 /nfs/dbraw/zinc/95/05/40/1433950540.db2.gz AAANGWBCYJQCSV-RYUDHWBXSA-N 0 3 392.506 3.333 20 5 GGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(C(=O)OC(C)(C)C)CC1 ZINC000263886512 1434045652 /nfs/dbraw/zinc/04/56/52/1434045652.db2.gz PLNUCPAACIEOGW-UHFFFAOYSA-N 0 3 391.468 3.286 20 5 GGBDHN CN(C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCN(CCc2ccccn2)CC1 ZINC000263891754 1434046352 /nfs/dbraw/zinc/04/63/52/1434046352.db2.gz AZNMQIKLVRJZQO-UHFFFAOYSA-N 0 3 383.452 3.161 20 5 GGBDHN Cc1c(NC(=O)CCN2CCC(C(=O)OC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000263900772 1434047301 /nfs/dbraw/zinc/04/73/01/1434047301.db2.gz ZQJSJGWWUCAFBE-UHFFFAOYSA-N 0 3 391.468 3.286 20 5 GGBDHN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@@H](N2CCCCC2)C1 ZINC000264586641 1434131272 /nfs/dbraw/zinc/13/12/72/1434131272.db2.gz KSDAROOKVUEQBV-GOSISDBHSA-N 0 3 389.499 3.242 20 5 GGBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@H]3[C@@H](O)C(F)(F)F)o2)c1 ZINC000264753362 1434151864 /nfs/dbraw/zinc/15/18/64/1434151864.db2.gz XCQZHQLCXKRQDV-XJKSGUPXSA-N 0 3 385.342 3.180 20 5 GGBDHN CCN(CC)C(=O)CCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264948658 1434167017 /nfs/dbraw/zinc/16/70/17/1434167017.db2.gz JPXKJLIIHDUZRU-UHFFFAOYSA-N 0 3 376.482 3.457 20 5 GGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000265619857 1434250887 /nfs/dbraw/zinc/25/08/87/1434250887.db2.gz AULNQDIGDMHBSC-KRWDZBQOSA-N 0 3 394.431 3.000 20 5 GGBDHN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)c1cccs1 ZINC000266085039 1434302311 /nfs/dbraw/zinc/30/23/11/1434302311.db2.gz CEFQYQUXLYKJJF-HNNXBMFYSA-N 0 3 376.438 3.328 20 5 GGBDHN CCC[C@H](CCO)CNCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000266273178 1434315346 /nfs/dbraw/zinc/31/53/46/1434315346.db2.gz CMYTXPGAYBTRNQ-GFCCVEGCSA-N 0 3 394.390 3.433 20 5 GGBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000267019842 1434399448 /nfs/dbraw/zinc/39/94/48/1434399448.db2.gz CADKZKMGVGVYHU-CYBMUJFWSA-N 0 3 395.419 3.197 20 5 GGBDHN COc1cc(-c2nc(-c3ccc(CN(C)C)cc3)no2)cc([N+](=O)[O-])c1OC ZINC000267079158 1434405905 /nfs/dbraw/zinc/40/59/05/1434405905.db2.gz PTMQRXOYUMANAR-UHFFFAOYSA-N 0 3 384.392 3.391 20 5 GGBDHN COc1cc(OCc2nc(-c3ccc(CN(C)C)cc3)no2)ccc1[N+](=O)[O-] ZINC000267096500 1434407171 /nfs/dbraw/zinc/40/71/71/1434407171.db2.gz UTWLLBKJLPPNDU-UHFFFAOYSA-N 0 3 384.392 3.294 20 5 GGBDHN COc1cccc(OC)c1OC[C@@H](O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000268831550 1434562284 /nfs/dbraw/zinc/56/22/84/1434562284.db2.gz KNNXFXRSVAWMPB-ZBFHGGJFSA-N 0 3 390.436 3.011 20 5 GGBDHN CC[C@H](N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000268939459 1434573345 /nfs/dbraw/zinc/57/33/45/1434573345.db2.gz ZSUSFSJVRBNXDI-ICSRJNTNSA-N 0 3 380.448 3.474 20 5 GGBDHN COc1cc([C@@H](C)NC[C@H](O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC ZINC000269692287 1434669538 /nfs/dbraw/zinc/66/95/38/1434669538.db2.gz VKLZTFUJIHJDCE-WBMJQRKESA-N 0 3 376.409 3.005 20 5 GGBDHN COc1cc([C@H](C)NC[C@H](O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC ZINC000269692284 1434669559 /nfs/dbraw/zinc/66/95/59/1434669559.db2.gz VKLZTFUJIHJDCE-LRDDRELGSA-N 0 3 376.409 3.005 20 5 GGBDHN Cc1c(C(=O)Nc2cc(C)cc(CN(C)C)c2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000270351792 1434725600 /nfs/dbraw/zinc/72/56/00/1434725600.db2.gz CKGNOQBULXNIHC-UHFFFAOYSA-N 0 3 394.435 3.106 20 5 GGBDHN CC(C)OCCOC[C@@H](O)CN(C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000271118164 1434803042 /nfs/dbraw/zinc/80/30/42/1434803042.db2.gz CYKUMEVMEQLSSJ-SFHVURJKSA-N 0 3 392.452 3.089 20 5 GGBDHN CC(C)OCCOC[C@H](O)CN(C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000271118160 1434803079 /nfs/dbraw/zinc/80/30/79/1434803079.db2.gz CYKUMEVMEQLSSJ-GOSISDBHSA-N 0 3 392.452 3.089 20 5 GGBDHN CCOc1ccc([C@@H](C)NCc2ccc(NS(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000271137531 1434804194 /nfs/dbraw/zinc/80/41/94/1434804194.db2.gz NMIAPSNDIOUBFF-CYBMUJFWSA-N 0 3 393.465 3.216 20 5 GGBDHN COc1cc(CNCCc2ccncc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272353650 1434889705 /nfs/dbraw/zinc/88/97/05/1434889705.db2.gz DOZOMFWRNGBKMS-UHFFFAOYSA-N 0 3 381.379 3.283 20 5 GGBDHN COc1cc(CNC[C@H](CO)c2ccccc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272465992 1434898194 /nfs/dbraw/zinc/89/81/94/1434898194.db2.gz RIQWHNSMUJPHJP-OAHLLOKOSA-N 0 3 396.390 3.113 20 5 GGBDHN COc1cc(CNCCCc2nccs2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272571837 1434909102 /nfs/dbraw/zinc/90/91/02/1434909102.db2.gz FVRQAFOYWOUFCQ-UHFFFAOYSA-N 0 3 387.408 3.426 20 5 GGBDHN C[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@@H]1CCCN(C2CCC2)C1 ZINC000272732687 1434926652 /nfs/dbraw/zinc/92/66/52/1434926652.db2.gz BXOGCAHBQWVBLU-ZIAGYGMSSA-N 0 3 381.498 3.063 20 5 GGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(OC2CCCCC2)CC1 ZINC000273005746 1434949153 /nfs/dbraw/zinc/94/91/53/1434949153.db2.gz IGMGWRPOGBDEJT-INIZCTEOSA-N 0 3 378.469 3.148 20 5 GGBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC2CC(c3cccc(F)c3)C2)cc1 ZINC000273500108 1434992732 /nfs/dbraw/zinc/99/27/32/1434992732.db2.gz PFEYTPFFPYHAFC-UHFFFAOYSA-N 0 3 378.425 3.043 20 5 GGBDHN C[C@@H]1CN(CCCCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000273856584 1435022176 /nfs/dbraw/zinc/02/21/76/1435022176.db2.gz MVPRWAIHGVVYQR-HUUCEWRRSA-N 0 3 395.475 3.017 20 5 GGBDHN C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)[C@H]1CCCN(C2CCC2)C1 ZINC000276326818 1435204871 /nfs/dbraw/zinc/20/48/71/1435204871.db2.gz QQOJLIYNQCKZPW-KGLIPLIRSA-N 0 3 381.498 3.063 20 5 GGBDHN C[C@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)[C@H]1CCCN(C2CCC2)C1 ZINC000276326812 1435204877 /nfs/dbraw/zinc/20/48/77/1435204877.db2.gz QQOJLIYNQCKZPW-KBPBESRZSA-N 0 3 381.498 3.063 20 5 GGBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000277417755 1435303235 /nfs/dbraw/zinc/30/32/35/1435303235.db2.gz CQKXUFVQDJZEMC-INIZCTEOSA-N 0 3 393.509 3.080 20 5 GGBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@H]([C@H](O)C(F)(F)F)C3)o2)c1 ZINC000277624821 1435317170 /nfs/dbraw/zinc/31/71/70/1435317170.db2.gz ASCRXTCETRCOAP-GUYCJALGSA-N 0 3 399.369 3.428 20 5 GGBDHN COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCCN2C2CC2)cc1SC ZINC000277978920 1435347567 /nfs/dbraw/zinc/34/75/67/1435347567.db2.gz QLLGMTPNPGGSAP-ZDUSSCGKSA-N 0 3 379.482 3.072 20 5 GGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000278871532 1435433457 /nfs/dbraw/zinc/43/34/57/1435433457.db2.gz XWAUATGEBRBWDQ-UHFFFAOYSA-N 0 3 383.448 3.360 20 5 GGBDHN CN1CCN(c2cc(CN[C@@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)ccn2)CC1 ZINC000279031675 1435454021 /nfs/dbraw/zinc/45/40/21/1435454021.db2.gz INFPDPGBVOJVCW-HXUWFJFHSA-N 0 3 395.507 3.254 20 5 GGBDHN COc1cc(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)ccc1OCCO ZINC000279033289 1435454294 /nfs/dbraw/zinc/45/42/94/1435454294.db2.gz ISNQKDUZSRLCAU-GOSISDBHSA-N 0 3 386.448 3.487 20 5 GGBDHN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000279478756 1435503559 /nfs/dbraw/zinc/50/35/59/1435503559.db2.gz HIXOUWPRWWZTHP-UHFFFAOYSA-N 0 3 394.435 3.024 20 5 GGBDHN C[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC2(CCOCC2)O1 ZINC000279925561 1435564340 /nfs/dbraw/zinc/56/43/40/1435564340.db2.gz WMRAKEKPLUXVEK-OAHLLOKOSA-N 0 3 387.436 3.062 20 5 GGBDHN Cc1ccc([C@@H](NCCc2ccc([N+](=O)[O-])cc2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280689874 1435704345 /nfs/dbraw/zinc/70/43/45/1435704345.db2.gz BBJWLMNQWODLDQ-BEFAXECRSA-N 0 3 376.478 3.210 20 5 GGBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN[C@]3(CO)CCOc4ccccc43)o2)c1 ZINC000281446627 1435809297 /nfs/dbraw/zinc/80/92/97/1435809297.db2.gz AAFLBSMXCCCXJE-NRFANRHFSA-N 0 3 395.415 3.052 20 5 GGBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N(Cc2ccco2)C2CCN(C)CC2)c1 ZINC000282667818 1435855691 /nfs/dbraw/zinc/85/56/91/1435855691.db2.gz ONVZNNNMIFUOGD-UHFFFAOYSA-N 0 3 387.436 3.323 20 5 GGBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000282736516 1435858399 /nfs/dbraw/zinc/85/83/99/1435858399.db2.gz YIIBCHJDMUYQPQ-UHFFFAOYSA-N 0 3 383.448 3.388 20 5 GGBDHN CC(C)c1n[nH]c(C(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000283087717 1435873833 /nfs/dbraw/zinc/87/38/33/1435873833.db2.gz YSQODJGMGOXVBY-CYBMUJFWSA-N 0 3 379.848 3.127 20 5 GGBDHN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283270089 1435882205 /nfs/dbraw/zinc/88/22/05/1435882205.db2.gz LEWKFLZHYJONKL-PGGUUEOZSA-N 0 3 389.477 3.354 20 5 GGBDHN C[C@@H](NCc1cccc(CN2CCO[C@H](C)C2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284217940 1436004673 /nfs/dbraw/zinc/00/46/73/1436004673.db2.gz TVUPSJSYWALLDN-HZPDHXFCSA-N 0 3 384.480 3.249 20 5 GGBDHN C[C@H](NCc1cccc(CN2CCO[C@@H](C)C2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284217937 1436004684 /nfs/dbraw/zinc/00/46/84/1436004684.db2.gz TVUPSJSYWALLDN-HOTGVXAUSA-N 0 3 384.480 3.249 20 5 GGBDHN O=[N+]([O-])c1ccc2ccnc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c2c1 ZINC001164725695 720424247 /nfs/dbraw/zinc/42/42/47/720424247.db2.gz AQHYXTOWNKXUAS-PMACEKPBSA-N 0 3 375.432 3.391 20 5 GGBDHN