smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc([N+](=O)[O-])ccc1-n1nnnc1C[NH3+] ZINC000054762404 178271874 /nfs/dbraw/zinc/27/18/74/178271874.db2.gz AIEDPZNSEZPZAL-UHFFFAOYSA-N 1 0 234.219 0.338 10 5 BCBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH3+] ZINC000034979739 178272298 /nfs/dbraw/zinc/27/22/98/178272298.db2.gz NNBMQLPVSWHBLU-UHFFFAOYSA-N 1 0 209.205 0.800 10 5 BCBERO C[C@H]([NH3+])C[C@H](C)Nc1c([N+](=O)[O-])ncn1C ZINC000320586474 342734776 /nfs/dbraw/zinc/73/47/76/342734776.db2.gz VAJUALNQAZOLHW-BQBZGAKWSA-N 1 0 227.268 0.866 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCC[NH2+]1 ZINC000105214306 398326343 /nfs/dbraw/zinc/32/63/43/398326343.db2.gz SAIHYMZDAINLFB-ZETCQYMHSA-N 1 0 225.252 0.492 10 5 BCBERO [NH3+][C@H](CO)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000072198573 343068965 /nfs/dbraw/zinc/06/89/65/343068965.db2.gz XWYQTSVMWGTAPR-ZCFIWIBFSA-N 1 0 226.188 0.316 10 5 BCBERO C[NH2+]CCN(C)c1nc(C)ccc1[N+](=O)[O-] ZINC000088035914 136284070 /nfs/dbraw/zinc/28/40/70/136284070.db2.gz TUMQMNDUQIGMMT-UHFFFAOYSA-N 1 0 224.264 0.954 10 5 BCBERO O=[N+]([O-])c1ccc(-[n+]2cncnc2)cc1 ZINC000044830764 343516739 /nfs/dbraw/zinc/51/67/39/343516739.db2.gz YPMRMLSFJJUMCU-UHFFFAOYSA-N 1 0 203.181 0.662 10 5 BCBERO [NH3+][C@@]1(c2ccc([N+](=O)[O-])cc2)C[C@@H](O)C1 ZINC000536956785 343652390 /nfs/dbraw/zinc/65/23/90/343652390.db2.gz AICAYKNSPWNRTC-AOOOYVTPSA-N 1 0 208.217 0.904 10 5 BCBERO O=C1NCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000610897262 344163142 /nfs/dbraw/zinc/16/31/42/344163142.db2.gz QIECCQPBTDBZPI-SNVBAGLBSA-N 1 0 235.243 0.573 10 5 BCBERO CN(CCOCC[NH3+])c1ccc([N+](=O)[O-])cn1 ZINC000600955573 344401499 /nfs/dbraw/zinc/40/14/99/344401499.db2.gz CKOMZXZBVMRKRB-UHFFFAOYSA-N 1 0 240.263 0.401 10 5 BCBERO CC[C@@H]1[NH2+]CC[C@H]1Nc1c([N+](=O)[O-])ncn1C ZINC000600952547 344401808 /nfs/dbraw/zinc/40/18/08/344401808.db2.gz ZAUKEGSGTDXLFI-JGVFFNPUSA-N 1 0 239.279 0.881 10 5 BCBERO CCc1nn(C)c(NC2C[NH2+]C2)c1[N+](=O)[O-] ZINC000085256838 344513044 /nfs/dbraw/zinc/51/30/44/344513044.db2.gz CJEXVAPJRURJKJ-UHFFFAOYSA-N 1 0 225.252 0.274 10 5 BCBERO C[C@H]1C[C@@H]([NH3+])CN1c1ncccc1[N+](=O)[O-] ZINC000600962944 344854654 /nfs/dbraw/zinc/85/46/54/344854654.db2.gz PNTKSJCELUILKW-JGVFFNPUSA-N 1 0 222.248 0.916 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000382438750 346182895 /nfs/dbraw/zinc/18/28/95/346182895.db2.gz YIBUALXRKZLXCX-SFYZADRCSA-N 1 0 239.279 0.868 10 5 BCBERO O=[N+]([O-])c1ccc(NC[C@H]2COCC[NH2+]2)nc1 ZINC000236422221 346239663 /nfs/dbraw/zinc/23/96/63/346239663.db2.gz ZTIIERIVPGXJKP-QMMMGPOBSA-N 1 0 238.247 0.390 10 5 BCBERO Cc1nn(C)c(N2CCC([NH3+])CC2)c1[N+](=O)[O-] ZINC000036754952 180355432 /nfs/dbraw/zinc/35/54/32/180355432.db2.gz GWDBZDPRUHVUPH-UHFFFAOYSA-N 1 0 239.279 0.564 10 5 BCBERO Cc1nn(C)c(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000036748902 180357424 /nfs/dbraw/zinc/35/74/24/180357424.db2.gz KKWAALJHVGBSJR-UHFFFAOYSA-N 1 0 225.252 0.046 10 5 BCBERO C[C@H]([NH3+])CCNc1ncc([N+](=O)[O-])cn1 ZINC000063171386 351269943 /nfs/dbraw/zinc/26/99/43/351269943.db2.gz QBWZTMKJSLKNLL-LURJTMIESA-N 1 0 211.225 0.534 10 5 BCBERO C[C@H]1C[C@H]([NH3+])CN1c1ncc([N+](=O)[O-])cn1 ZINC000230538858 351970937 /nfs/dbraw/zinc/97/09/37/351970937.db2.gz VODSCXBSAJUJLY-BQBZGAKWSA-N 1 0 223.236 0.311 10 5 BCBERO O=[N+]([O-])C1(c2ccccc2)CNCC[NH2+]C1 ZINC000584639885 358325848 /nfs/dbraw/zinc/32/58/48/358325848.db2.gz YRSYBTWIIGWZDM-UHFFFAOYSA-N 1 0 221.260 0.351 10 5 BCBERO [NH3+]CC(=O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000034979742 181355275 /nfs/dbraw/zinc/35/52/75/181355275.db2.gz USYOYXYJIJIXPV-UHFFFAOYSA-N 1 0 213.168 0.631 10 5 BCBERO [NH3+]CC(=O)Nc1ccc(O)cc1[N+](=O)[O-] ZINC000037000626 181354913 /nfs/dbraw/zinc/35/49/13/181354913.db2.gz NKJRTFOKXMXCLA-UHFFFAOYSA-N 1 0 211.177 0.198 10 5 BCBERO [NH3+]CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000041067071 181395667 /nfs/dbraw/zinc/39/56/67/181395667.db2.gz DOHCDXRAEVHURS-UHFFFAOYSA-N 1 0 243.650 0.937 10 5 BCBERO [NH3+]Cc1nccc([N+](=O)[O-])c1OC1CC1 ZINC000095725380 181502729 /nfs/dbraw/zinc/50/27/29/181502729.db2.gz LTLYJZFAOFVCHN-UHFFFAOYSA-N 1 0 209.205 0.990 10 5 BCBERO C[C@H]1CC[C@@H](Nc2c([N+](=O)[O-])ncn2C)C[NH2+]1 ZINC000600955084 371712640 /nfs/dbraw/zinc/71/26/40/371712640.db2.gz JULWPEOPSPIWMA-JGVFFNPUSA-N 1 0 239.279 0.881 10 5 BCBERO C[C@H]1CC[C@H](Nc2c([N+](=O)[O-])ncn2C)C[NH2+]1 ZINC000600955086 371714582 /nfs/dbraw/zinc/71/45/82/371714582.db2.gz JULWPEOPSPIWMA-YUMQZZPRSA-N 1 0 239.279 0.881 10 5 BCBERO C[C@H]1C[C@H]([NH3+])CN1c1ccc([N+](=O)[O-])cn1 ZINC000600962149 371718460 /nfs/dbraw/zinc/71/84/60/371718460.db2.gz AHXWHCNNYLHRCQ-YUMQZZPRSA-N 1 0 222.248 0.916 10 5 BCBERO O=[N+]([O-])c1cccnc1OC[C@H]1CC[NH2+]C1 ZINC000051888678 182953262 /nfs/dbraw/zinc/95/32/62/182953262.db2.gz TXAYRNYFTAVKFQ-QMMMGPOBSA-N 1 0 223.232 0.978 10 5 BCBERO [NH3+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000061843837 384789003 /nfs/dbraw/zinc/78/90/03/384789003.db2.gz DAOLIHAXZKONHL-UHFFFAOYSA-N 1 0 219.204 0.839 10 5 BCBERO [NH3+]CCc1nc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000061844088 384792031 /nfs/dbraw/zinc/79/20/31/384792031.db2.gz DZHNJZJCFGXNLK-UHFFFAOYSA-N 1 0 233.231 0.881 10 5 BCBERO [NH3+][C@@H](CO)c1ccc(F)c([N+](=O)[O-])c1 ZINC000072197879 384811964 /nfs/dbraw/zinc/81/19/64/384811964.db2.gz PPUQYNNVAUIWPF-ZETCQYMHSA-N 1 0 200.169 0.726 10 5 BCBERO O=[N+]([O-])c1ccc([S@@](=O)[C@H]2CC[NH2+]C2)nc1 ZINC000095091943 384838655 /nfs/dbraw/zinc/83/86/55/384838655.db2.gz HZLLVAPVEZUZBJ-ZKANADHPSA-N 1 0 241.272 0.459 10 5 BCBERO CCc1nn(C)c(NCC[NH2+]C)c1[N+](=O)[O-] ZINC000085021032 385018295 /nfs/dbraw/zinc/01/82/95/385018295.db2.gz DZIDBRQHDXCVHY-UHFFFAOYSA-N 1 0 227.268 0.522 10 5 BCBERO CCc1nn(C)c(N[C@H](C)C[NH3+])c1[N+](=O)[O-] ZINC000085021075 385019141 /nfs/dbraw/zinc/01/91/41/385019141.db2.gz URLNVHDBTSJGHZ-ZCFIWIBFSA-N 1 0 227.268 0.650 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1NCC[C@@H]1CC[NH2+]C1 ZINC000110798643 385264122 /nfs/dbraw/zinc/26/41/22/385264122.db2.gz MVDPCODVTMMNRT-QMMMGPOBSA-N 1 0 239.279 0.740 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CC[NH2+]C1 ZINC000060393370 386492072 /nfs/dbraw/zinc/49/20/72/386492072.db2.gz YXKMGJUSYLZRHK-ZCFIWIBFSA-N 1 0 211.225 0.102 10 5 BCBERO C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[NH2+]1 ZINC000052783365 132228912 /nfs/dbraw/zinc/22/89/12/132228912.db2.gz PKBMHFVXNGEQQF-MRVPVSSYSA-N 1 0 222.248 0.788 10 5 BCBERO COC[C@H]([NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000159594496 134781880 /nfs/dbraw/zinc/78/18/80/134781880.db2.gz JLGFUKMHKMYUCA-VIFPVBQESA-N 1 0 239.231 0.507 10 5 BCBERO C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)C[C@H]1[NH3+] ZINC000261533904 135165486 /nfs/dbraw/zinc/16/54/86/135165486.db2.gz LAPSJOJEABATDT-VXNVDRBHSA-N 1 0 222.248 0.773 10 5 BCBERO C[C@@H](CCC[NH3+])Nc1c([N+](=O)[O-])ncn1C ZINC000336643674 397948813 /nfs/dbraw/zinc/94/88/13/397948813.db2.gz BBIBDVYVKIHTOI-ZETCQYMHSA-N 1 0 227.268 0.868 10 5 BCBERO C[C@H](C[NH3+])CNc1ncc([N+](=O)[O-])s1 ZINC000420220385 410735409 /nfs/dbraw/zinc/73/54/09/410735409.db2.gz SIHHAQJSFNYWIR-RXMQYKEDSA-N 1 0 216.266 1.058 10 5 BCBERO CC[NH2+]C[C@@H](O)COc1cccnc1[N+](=O)[O-] ZINC000036951155 170118763 /nfs/dbraw/zinc/11/87/63/170118763.db2.gz UJTLZPFQRDBWQW-MRVPVSSYSA-N 1 0 241.247 0.339 10 5 BCBERO Cc1cc(NC[C@H](C)C[NH3+])ncc1[N+](=O)[O-] ZINC000420213820 411650218 /nfs/dbraw/zinc/65/02/18/411650218.db2.gz IEIZJDYOBFZGLW-SSDOTTSWSA-N 1 0 224.264 1.305 10 5 BCBERO Cc1cc([N+](=O)[O-])cnc1NC[C@H](C)C[NH3+] ZINC000420222667 411661757 /nfs/dbraw/zinc/66/17/57/411661757.db2.gz XRZNTTNWNBAKRG-SSDOTTSWSA-N 1 0 224.264 1.305 10 5 BCBERO [NH3+]CC1(CCNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000404669281 412297524 /nfs/dbraw/zinc/29/75/24/412297524.db2.gz BVIKULCZRBYPCA-UHFFFAOYSA-N 1 0 236.275 1.531 10 5 BCBERO C[NH2+]CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000124106162 173356653 /nfs/dbraw/zinc/35/66/53/173356653.db2.gz ICRVWUCFYNKMNW-UHFFFAOYSA-N 1 0 210.237 0.930 10 5 BCBERO C[NH2+]CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000054244824 173356967 /nfs/dbraw/zinc/35/69/67/173356967.db2.gz DLOVTILERMTPSE-UHFFFAOYSA-N 1 0 241.276 0.935 10 5 BCBERO C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000019864706 173376568 /nfs/dbraw/zinc/37/65/68/173376568.db2.gz FTDVJDKBXCGIRF-QMMMGPOBSA-N 1 0 226.232 0.554 10 5 BCBERO COc1ccc([C@@H]([NH3+])CCO)cc1[N+](=O)[O-] ZINC000044233140 175179781 /nfs/dbraw/zinc/17/97/81/175179781.db2.gz MQHWIQSHYASDAT-QMMMGPOBSA-N 1 0 226.232 0.986 10 5 BCBERO COc1ccc([N+](=O)[O-])cc1OC[C@@H](O)C[NH3+] ZINC000022222678 175200760 /nfs/dbraw/zinc/20/07/60/175200760.db2.gz JSSWBJJGCQYBNO-QMMMGPOBSA-N 1 0 242.231 0.302 10 5 BCBERO C[C@@H](Oc1ccc(C[NH3+])cc1[N+](=O)[O-])C(N)=O ZINC000036732313 176003962 /nfs/dbraw/zinc/00/39/62/176003962.db2.gz HUVPLXJSPQBLCI-ZCFIWIBFSA-N 1 0 239.231 0.306 10 5 BCBERO C[C@H](C[NH3+])Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000104209019 176662413 /nfs/dbraw/zinc/66/24/13/176662413.db2.gz FYRSWXKOGLWIIZ-RXMQYKEDSA-N 1 0 237.219 0.890 10 5 BCBERO C[C@H](Oc1ccc([N+](=O)[O-])cc1C[NH3+])C(N)=O ZINC000035414527 177023497 /nfs/dbraw/zinc/02/34/97/177023497.db2.gz TWVYVYGQULJQPL-LURJTMIESA-N 1 0 239.231 0.306 10 5 BCBERO C[C@H]1CN(c2ncccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000235671163 177278741 /nfs/dbraw/zinc/27/87/41/177278741.db2.gz HEZRYAPVJWBLAR-YUMQZZPRSA-N 1 0 222.248 0.773 10 5 BCBERO C[C@@H](C[NH3+])Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000111302848 323158549 /nfs/dbraw/zinc/15/85/49/323158549.db2.gz VOBSLFJFSQFHCM-LURJTMIESA-N 1 0 238.247 0.453 10 5 BCBERO C[NH2+][C@H](C)CNc1c([N+](=O)[O-])c(C)nn1C ZINC000261578919 536404304 /nfs/dbraw/zinc/40/43/04/536404304.db2.gz MALSUVAOTKZCCP-ZCFIWIBFSA-N 1 0 227.268 0.657 10 5 BCBERO COc1cc(NCC[NH3+])c([N+](=O)[O-])cc1OC ZINC000126430667 590302412 /nfs/dbraw/zinc/30/24/12/590302412.db2.gz QKIIJEIJAIMGCA-UHFFFAOYSA-N 1 0 241.247 0.983 10 5 BCBERO CCn1c(C)nc([N+](=O)[O-])c1N(C)C[C@H](C)[NH3+] ZINC000310531281 632755440 /nfs/dbraw/zinc/75/54/40/632755440.db2.gz ZBVBCUZXQVYZHZ-ZETCQYMHSA-N 1 0 241.295 0.903 10 5 BCBERO C[NH+](C)[C@H]1CCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000170842807 642697405 /nfs/dbraw/zinc/69/74/05/642697405.db2.gz JSNPFMWUZZLQTJ-VIFPVBQESA-N 1 0 239.279 0.385 10 5 BCBERO C[NH2+]CCN(C)c1nc2ccccn2c1[N+](=O)[O-] ZINC000096134248 643589192 /nfs/dbraw/zinc/58/91/92/643589192.db2.gz FJKPDQSWOREQMJ-UHFFFAOYSA-N 1 0 249.274 0.898 10 5 BCBERO C[C@@H]1C[NH2+][C@@H](C)CN1c1ncc([N+](=O)[O-])cn1 ZINC000086471338 644140112 /nfs/dbraw/zinc/14/01/12/644140112.db2.gz BHKUEZYUJJIUBL-JGVFFNPUSA-N 1 0 237.263 0.571 10 5 BCBERO Cn1ncc([N+](=O)[O-])c1N1CC[C@@H](C[NH3+])C1 ZINC000091691088 644636156 /nfs/dbraw/zinc/63/61/56/644636156.db2.gz NYFRMINWWUEYLS-ZETCQYMHSA-N 1 0 225.252 0.113 10 5 BCBERO Cn1ncc([N+](=O)[O-])c1N1CCC[C@H](C[NH3+])C1 ZINC000091691075 644636319 /nfs/dbraw/zinc/63/63/19/644636319.db2.gz NTEPZRCTBOZEFF-MRVPVSSYSA-N 1 0 239.279 0.503 10 5 BCBERO Cc1nn(C)c(N[C@@H]2C[NH2+]C[C@H]2C)c1[N+](=O)[O-] ZINC000721859240 711791731 /nfs/dbraw/zinc/79/17/31/711791731.db2.gz VGKIXNHIIASNMQ-HTRCEHHLSA-N 1 0 239.279 0.657 10 5 BCBERO C[C@@H]1[NH2+]CCC[C@H]1Nc1c([N+](=O)[O-])ncn1C ZINC000229595676 711838610 /nfs/dbraw/zinc/83/86/10/711838610.db2.gz XDVDFDVYHHTMGI-JGVFFNPUSA-N 1 0 239.279 0.881 10 5 BCBERO C[N+](C)(C)CCOCCN1CCCC1=O ZINC000002038130 717094489 /nfs/dbraw/zinc/09/44/89/717094489.db2.gz AIBMAFKPVSQVRJ-UHFFFAOYSA-N 1 0 215.317 0.332 10 5 BCBERO C[C@@H]([NH3+])C[C@H](C)Nc1c([N+](=O)[O-])ncn1C ZINC000320586478 342734680 /nfs/dbraw/zinc/73/46/80/342734680.db2.gz VAJUALNQAZOLHW-RQJHMYQMSA-N 1 0 227.268 0.866 10 5 BCBERO CC(=O)O[C@@H](C)C(=O)OCC[N+](C)(C)C ZINC000002007622 187245611 /nfs/dbraw/zinc/24/56/11/187245611.db2.gz SRZGFCNCQUMTCP-QMMMGPOBSA-N 1 0 218.273 0.187 10 5 in-man BCBERO CCn1c(C)nc([N+](=O)[O-])c1N(C)CCC[NH3+] ZINC000310329026 343435732 /nfs/dbraw/zinc/43/57/32/343435732.db2.gz JPFLPBFFONTARE-UHFFFAOYSA-N 1 0 241.295 0.905 10 5 BCBERO O=[N+]([O-])c1ccc([S@](=O)[C@@H]2CC[NH2+]C2)nc1 ZINC000095091942 187286703 /nfs/dbraw/zinc/28/67/03/187286703.db2.gz HZLLVAPVEZUZBJ-BCTVWOGZSA-N 1 0 241.272 0.459 10 5 BCBERO O=[N+]([O-])c1ncn(C[C@@H]2CCC[NH2+]C2)n1 ZINC000043472156 187293069 /nfs/dbraw/zinc/29/30/69/187293069.db2.gz PXYJQZPXFOGESR-SSDOTTSWSA-N 1 0 211.225 0.186 10 5 BCBERO C[C@H]1C[C@H]([NH3+])CN1c1c([N+](=O)[O-])ncn1C ZINC000600963123 344868695 /nfs/dbraw/zinc/86/86/95/344868695.db2.gz SPTCACYAEYTTNY-BQBZGAKWSA-N 1 0 225.252 0.254 10 5 BCBERO [NH3+][C@H]1COCO[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000034597751 345831371 /nfs/dbraw/zinc/83/13/71/345831371.db2.gz OXTBSOSAYNPFLS-UWVGGRQHSA-N 1 0 224.216 0.968 10 5 BCBERO CN(c1ncccc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000395108293 323187294 /nfs/dbraw/zinc/18/72/94/323187294.db2.gz RFCWWLRZUUXJFK-UHFFFAOYSA-N 1 0 222.248 0.916 10 5 BCBERO Cc1nc(N2CC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000124100931 180003399 /nfs/dbraw/zinc/00/33/99/180003399.db2.gz JQAQUNJPTHHIKN-QMMMGPOBSA-N 1 0 222.248 0.836 10 5 BCBERO Cc1nn(C)c(NCC(C)(C)[NH3+])c1[N+](=O)[O-] ZINC000096592920 180358474 /nfs/dbraw/zinc/35/84/74/180358474.db2.gz JMXPJKZVDSJMJG-UHFFFAOYSA-N 1 0 227.268 0.786 10 5 BCBERO Cc1nn(C)c(O[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000051868396 180361178 /nfs/dbraw/zinc/36/11/78/180361178.db2.gz SYZGXFBFPJRTOJ-ZETCQYMHSA-N 1 0 226.236 0.377 10 5 BCBERO Cc1nn([C@H]2CC[N@@H+](C)C2)c(N)c1[N+](=O)[O-] ZINC000061989983 180393492 /nfs/dbraw/zinc/39/34/92/180393492.db2.gz AWZACDUGVOEPMV-ZETCQYMHSA-N 1 0 225.252 0.559 10 5 BCBERO COC[C@@H]([NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000159594635 350918765 /nfs/dbraw/zinc/91/87/65/350918765.db2.gz JLGFUKMHKMYUCA-SECBINFHSA-N 1 0 239.231 0.507 10 5 BCBERO C[C@H](C[NH3+])N(C)c1ncccc1[N+](=O)[O-] ZINC000383024116 351166432 /nfs/dbraw/zinc/16/64/32/351166432.db2.gz VVFXGLUFHZKCCR-SSDOTTSWSA-N 1 0 210.237 0.773 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1OC1CC[NH2+]CC1 ZINC000051865433 180773569 /nfs/dbraw/zinc/77/35/69/180773569.db2.gz CWBKUUXEDFASNG-UHFFFAOYSA-N 1 0 226.236 0.459 10 5 BCBERO C[C@H](C[NH3+])CNc1c([N+](=O)[O-])ncn1C ZINC000420209951 192176084 /nfs/dbraw/zinc/17/60/84/192176084.db2.gz CNYIRBNODAFQDC-ZCFIWIBFSA-N 1 0 213.241 0.335 10 5 BCBERO COc1ccc([N+](=O)[O-])c(NC2C[NH2+]C2)c1 ZINC000087544524 355365519 /nfs/dbraw/zinc/36/55/19/355365519.db2.gz ZDSUPDYWZUYPNM-UHFFFAOYSA-N 1 0 223.232 0.987 10 5 BCBERO CCc1nn(C)c(NC[C@H](C)C[NH3+])c1[N+](=O)[O-] ZINC000420216775 192192930 /nfs/dbraw/zinc/19/29/30/192192930.db2.gz MRVNOHXGIUTKEO-SSDOTTSWSA-N 1 0 241.295 0.897 10 5 BCBERO O=[N+]([O-])c1ccc(NC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000420250074 192186672 /nfs/dbraw/zinc/18/66/72/192186672.db2.gz JMWKWHNUNGPXIR-KCJUWKMLSA-N 1 0 237.259 0.587 10 5 BCBERO CN(C(=O)c1ccc([N+](=O)[O-])o1)C1C[NH2+]C1 ZINC000085257759 134270085 /nfs/dbraw/zinc/27/00/85/134270085.db2.gz CZVQMVAKJYJTDN-UHFFFAOYSA-N 1 0 225.204 0.232 10 5 BCBERO O=[N+]([O-])c1nn(C2C[NH2+]C2)cc1Cl ZINC000069759939 360408072 /nfs/dbraw/zinc/40/80/72/360408072.db2.gz QYMANQNRLRYMFC-UHFFFAOYSA-N 1 0 202.601 0.589 10 5 BCBERO [NH3+]C1CC(NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000036237237 181339923 /nfs/dbraw/zinc/33/99/23/181339923.db2.gz NZWJVSGRVSBDDV-UHFFFAOYSA-N 1 0 225.204 0.407 10 5 BCBERO [NH3+]C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000036753429 181343296 /nfs/dbraw/zinc/34/32/96/181343296.db2.gz PTMYGMXUAGGFFH-UHFFFAOYSA-N 1 0 239.231 0.751 10 5 BCBERO [NH3+]CCCNc1ccc(CO)cc1[N+](=O)[O-] ZINC000137065734 181383516 /nfs/dbraw/zinc/38/35/16/181383516.db2.gz YXDKLFWZCUAYKK-UHFFFAOYSA-N 1 0 225.248 0.848 10 5 BCBERO [NH3+]CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000089063939 181395299 /nfs/dbraw/zinc/39/52/99/181395299.db2.gz HOOYDGDCGGIRNS-UHFFFAOYSA-N 1 0 227.195 0.422 10 5 BCBERO [NH3+][C@@H]1C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000036233647 181598199 /nfs/dbraw/zinc/59/81/99/181598199.db2.gz BXQWLPPRHDYORE-BDAKNGLRSA-N 1 0 221.216 0.424 10 5 BCBERO [NH3+][C@@H]1CCn2c1nc1ccc([N+](=O)[O-])cc1c2=O ZINC000072266458 181594891 /nfs/dbraw/zinc/59/48/91/181594891.db2.gz PDXZQDWZOUHEPE-MRVPVSSYSA-N 1 0 246.226 0.708 10 5 BCBERO C[C@@H]1CC[C@H](Nc2c([N+](=O)[O-])ncn2C)C[NH2+]1 ZINC000600955085 371714758 /nfs/dbraw/zinc/71/47/58/371714758.db2.gz JULWPEOPSPIWMA-SFYZADRCSA-N 1 0 239.279 0.881 10 5 BCBERO C[C@@H]1C[C@H]([NH3+])CN1c1c([N+](=O)[O-])ncn1C ZINC000600963226 371716575 /nfs/dbraw/zinc/71/65/75/371716575.db2.gz SPTCACYAEYTTNY-RQJHMYQMSA-N 1 0 225.252 0.254 10 5 BCBERO COC(=O)c1c(C[NH3+])cccc1[N+](=O)[O-] ZINC000261509026 384358536 /nfs/dbraw/zinc/35/85/36/384358536.db2.gz ZDMCOADKBXYKER-UHFFFAOYSA-N 1 0 210.189 0.840 10 5 BCBERO CN(c1ncccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000070896954 384375215 /nfs/dbraw/zinc/37/52/15/384375215.db2.gz AFLVOGXZCLEFSX-QMMMGPOBSA-N 1 0 222.248 0.788 10 5 BCBERO [NH3+][C@@H](CO)c1cc([N+](=O)[O-])ccc1F ZINC000072197875 384812639 /nfs/dbraw/zinc/81/26/39/384812639.db2.gz OOGBDIWUZZXMDT-QMMMGPOBSA-N 1 0 200.169 0.726 10 5 BCBERO [NH3+]C[C@H]1CCCN1c1ccc([N+](=O)[O-])cn1 ZINC000095072584 388758172 /nfs/dbraw/zinc/75/81/72/388758172.db2.gz ZTKRTFVMUZCTRO-MRVPVSSYSA-N 1 0 222.248 0.917 10 5 BCBERO O=[N+]([O-])c1cccnc1[S@@](=O)[C@@H]1CC[NH2+]C1 ZINC000095091870 388760396 /nfs/dbraw/zinc/76/03/96/388760396.db2.gz HABXRSUEFGTSOY-VGDKGRGNSA-N 1 0 241.272 0.459 10 5 BCBERO C[C@@H]1CN(c2ccncc2[N+](=O)[O-])CC[NH2+]1 ZINC000052783367 132362433 /nfs/dbraw/zinc/36/24/33/132362433.db2.gz WFJIEHSKRXACGN-MRVPVSSYSA-N 1 0 222.248 0.788 10 5 BCBERO [NH3+]CCN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000057765525 132366139 /nfs/dbraw/zinc/36/61/39/132366139.db2.gz SSFYCXHGEWABNR-UHFFFAOYSA-N 1 0 237.215 0.279 10 5 BCBERO CC[NH2+]CCNc1c([N+](=O)[O-])ncn1C ZINC000107605738 170116193 /nfs/dbraw/zinc/11/61/93/170116193.db2.gz OLJNLFIEUILQFT-UHFFFAOYSA-N 1 0 213.241 0.350 10 5 BCBERO Cc1nc(NC[C@@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000420211736 411748149 /nfs/dbraw/zinc/74/81/49/411748149.db2.gz FTANMCWQCZMXGK-ZETCQYMHSA-N 1 0 224.264 1.305 10 5 BCBERO CN(C(=O)Cc1ccccc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000090289850 172315925 /nfs/dbraw/zinc/31/59/25/172315925.db2.gz GJKZRHKBSRDDON-UHFFFAOYSA-N 1 0 249.270 0.568 10 5 BCBERO CN(C)C(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])o1 ZINC000037751951 172360996 /nfs/dbraw/zinc/36/09/96/172360996.db2.gz OGDPAUYQCZHOFT-UHFFFAOYSA-N 1 0 241.247 0.756 10 5 BCBERO CN(c1ccc([N+](=O)[O-])cn1)[C@@H]1CC[NH2+]C1 ZINC000070896606 172947384 /nfs/dbraw/zinc/94/73/84/172947384.db2.gz PVLTZOUWPNMYBD-MRVPVSSYSA-N 1 0 222.248 0.788 10 5 BCBERO C[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000034979678 173334374 /nfs/dbraw/zinc/33/43/74/173334374.db2.gz GXCZCLPIVLKJRZ-UHFFFAOYSA-N 1 0 239.231 0.761 10 5 BCBERO C[NH2+]CCN(C)c1ccc([N+](=O)[O-])cn1 ZINC000069802659 173353800 /nfs/dbraw/zinc/35/38/00/173353800.db2.gz HZOCUDTXQPXQTO-UHFFFAOYSA-N 1 0 210.237 0.645 10 5 BCBERO C[NH2+]C[C@@H](O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000019864523 173365513 /nfs/dbraw/zinc/36/55/13/173365513.db2.gz HAWJBFMQWSWOOB-SECBINFHSA-N 1 0 240.259 0.862 10 5 BCBERO C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000019864778 173376622 /nfs/dbraw/zinc/37/66/22/173376622.db2.gz BEJVTJIPORUOAE-VIFPVBQESA-N 1 0 226.232 0.554 10 5 BCBERO C[C@@H]([NH3+])CCNc1c([N+](=O)[O-])ncn1C ZINC000109139788 175806021 /nfs/dbraw/zinc/80/60/21/175806021.db2.gz VKSHXIGQMSASPW-ZCFIWIBFSA-N 1 0 213.241 0.478 10 5 BCBERO C[C@H](CO)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000038079445 176705741 /nfs/dbraw/zinc/70/57/41/176705741.db2.gz JPVMSPXZQNWNEU-SECBINFHSA-N 1 0 240.259 0.944 10 5 BCBERO O=[N+]([O-])c1ccc(NC[C@H]2C[NH2+]CCO2)nc1 ZINC000134270984 490393502 /nfs/dbraw/zinc/39/35/02/490393502.db2.gz LFFJNIXMDUDROJ-SECBINFHSA-N 1 0 238.247 0.390 10 5 BCBERO C[NH2+][C@@H](C)CNc1c([N+](=O)[O-])c(C)nn1C ZINC000261578918 536344315 /nfs/dbraw/zinc/34/43/15/536344315.db2.gz MALSUVAOTKZCCP-LURJTMIESA-N 1 0 227.268 0.657 10 5 BCBERO C[C@H]([NH3+])CN(C)c1c([N+](=O)[O-])ncn1C ZINC000309062364 631831214 /nfs/dbraw/zinc/83/12/14/631831214.db2.gz WUBSLLATLQHQPK-LURJTMIESA-N 1 0 213.241 0.112 10 5 BCBERO [NH3+]CCn1ncc2ccc([N+](=O)[O-])cc21 ZINC000082639969 636276106 /nfs/dbraw/zinc/27/61/06/636276106.db2.gz BOJFHKPTEMVMIM-UHFFFAOYSA-N 1 0 206.205 0.903 10 5 BCBERO CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000054419616 636636833 /nfs/dbraw/zinc/63/68/33/636636833.db2.gz JDGRFYPIOYOQDZ-UHFFFAOYSA-N 1 0 240.219 0.898 10 5 BCBERO [NH3+]C[C@H]1CCCCN1c1ncc([N+](=O)[O-])cn1 ZINC000044559855 640435541 /nfs/dbraw/zinc/43/55/41/640435541.db2.gz UUNIBWVYRAJSTB-MRVPVSSYSA-N 1 0 237.263 0.702 10 5 BCBERO CCN(c1ncc([N+](=O)[O-])cn1)[C@H]1CC[NH2+]C1 ZINC000071314137 643665881 /nfs/dbraw/zinc/66/58/81/643665881.db2.gz VGFPLIYSQMAIMB-QMMMGPOBSA-N 1 0 237.263 0.573 10 5 BCBERO CCCCCC[C@H](O)C[N+](C)(C)C[C@@H](O)CO ZINC000038647500 717126344 /nfs/dbraw/zinc/12/63/44/717126344.db2.gz RLBHXEXHWOZGKV-QWHCGFSZSA-N 1 0 248.387 0.747 10 5 BCBERO C[N+](C)(C)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000205173582 717159391 /nfs/dbraw/zinc/15/93/91/717159391.db2.gz LVGPCCJETZWOMS-UHFFFAOYSA-N 1 0 222.228 0.834 10 5 BCBERO C[C@@H]1C[C@@]2(C[C@@H](C[N+](C)(C)C)OC2=O)C(=O)O1 ZINC000032130620 717120545 /nfs/dbraw/zinc/12/05/45/717120545.db2.gz KMLDFWXPPAXUIY-VDDIYKPWSA-N 1 0 242.295 0.330 10 5 BCBERO C[N+]1(C)CCO[C@@](O)(c2ccc(N)cc2)C1 ZINC000013605053 717108318 /nfs/dbraw/zinc/10/83/18/717108318.db2.gz XPQIRNBONHURTF-GFCCVEGCSA-N 1 0 223.296 0.521 10 5 BCBERO O=[N+]([O-])c1ccccc1NC1=[NH+]CCN1 ZINC000039200726 538968980 /nfs/dbraw/zinc/96/89/80/538968980.db2.gz AQCYGFVFRFYZNE-UHFFFAOYSA-N 1 0 206.205 0.966 10 5 BCBERO CCc1nn(C)c(NC[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000085021072 344495109 /nfs/dbraw/zinc/49/51/09/344495109.db2.gz XAOKDBUKQGOUQH-LURJTMIESA-N 1 0 227.268 0.650 10 5 BCBERO C[C@H]([NH3+])[C@H](C)Nc1c([N+](=O)[O-])ncn1C ZINC000381734601 344582608 /nfs/dbraw/zinc/58/26/08/344582608.db2.gz LIPBEMSFEANLTN-WDSKDSINSA-N 1 0 213.241 0.476 10 5 BCBERO C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)C[C@@H]1C[NH3+] ZINC000600961643 344691733 /nfs/dbraw/zinc/69/17/33/344691733.db2.gz TWZIRPSTYYMLCA-SFYZADRCSA-N 1 0 237.263 0.416 10 5 BCBERO C[C@H]1C[C@H]([NH3+])CN1c1ccc([N+](=O)[O-])nc1 ZINC000600963302 344906418 /nfs/dbraw/zinc/90/64/18/344906418.db2.gz UQLVUNMUSJWMTQ-YUMQZZPRSA-N 1 0 222.248 0.916 10 5 BCBERO O=[N+]([O-])c1ccc(NC[C@H]2COCC[NH2+]2)cc1 ZINC000236422192 346239352 /nfs/dbraw/zinc/23/93/52/346239352.db2.gz NQDANLCXSCUJDX-JTQLQIEISA-N 1 0 237.259 0.995 10 5 BCBERO C[C@@H](Nc1ncc([N+](=O)[O-])cn1)[C@H](C)[NH3+] ZINC000381800803 346442227 /nfs/dbraw/zinc/44/22/27/346442227.db2.gz UFNPNMCVCJWVQE-NTSWFWBYSA-N 1 0 211.225 0.532 10 5 BCBERO Cc1nn([C@@H]2CC[N@@H+](C)C2)c(N)c1[N+](=O)[O-] ZINC000061989982 180391807 /nfs/dbraw/zinc/39/18/07/180391807.db2.gz AWZACDUGVOEPMV-SSDOTTSWSA-N 1 0 225.252 0.559 10 5 BCBERO Cc1cc(NC2C[NH2+]C2)ncc1[N+](=O)[O-] ZINC000086003306 350852486 /nfs/dbraw/zinc/85/24/86/350852486.db2.gz QXHZIGDWVNJDJL-UHFFFAOYSA-N 1 0 208.221 0.682 10 5 BCBERO C[C@@H](C[NH3+])N(C)c1ncccc1[N+](=O)[O-] ZINC000383024117 351166817 /nfs/dbraw/zinc/16/68/17/351166817.db2.gz VVFXGLUFHZKCCR-ZETCQYMHSA-N 1 0 210.237 0.773 10 5 BCBERO O=[N+]([O-])c1ccccc1NC[C@H]1C[NH2+]C[C@@H]1O ZINC000420255218 192188205 /nfs/dbraw/zinc/18/82/05/192188205.db2.gz SMIMBALPWZOQPN-KCJUWKMLSA-N 1 0 237.259 0.587 10 5 BCBERO [NH3+]C1(c2ccc([N+](=O)[O-])cc2)CC(O)C1 ZINC000675058330 538481571 /nfs/dbraw/zinc/48/15/71/538481571.db2.gz AICAYKNSPWNRTC-UHFFFAOYSA-N 1 0 208.217 0.904 10 5 BCBERO CN(c1ccc([N+](=O)[O-])cn1)C1CC([NH3+])C1 ZINC000384889178 356792320 /nfs/dbraw/zinc/79/23/20/356792320.db2.gz KMKZJZYWTXOQGG-UHFFFAOYSA-N 1 0 222.248 0.916 10 5 BCBERO C[NH2+][C@H](C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000054076880 359001749 /nfs/dbraw/zinc/00/17/49/359001749.db2.gz PAIJSYPSERRUDP-MRVPVSSYSA-N 1 0 237.259 0.819 10 5 BCBERO [NH3+]CC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000034979717 181355557 /nfs/dbraw/zinc/35/55/57/181355557.db2.gz XTOCCSWGSKDAOS-UHFFFAOYSA-N 1 0 213.168 0.631 10 5 BCBERO [NH3+]CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000123064372 181395798 /nfs/dbraw/zinc/39/57/98/181395798.db2.gz GOJAIXOPXZXZHD-UHFFFAOYSA-N 1 0 243.650 0.937 10 5 BCBERO [NH3+]Cc1ccnc([N+](=O)[O-])c1OC1CC1 ZINC000095738106 181490831 /nfs/dbraw/zinc/49/08/31/181490831.db2.gz WRHWHYPRDFAEFP-UHFFFAOYSA-N 1 0 209.205 0.990 10 5 BCBERO COC[C@@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000309950021 370277165 /nfs/dbraw/zinc/27/71/65/370277165.db2.gz FRQXUXIDGARGAO-MRVPVSSYSA-N 1 0 228.252 0.416 10 5 BCBERO CC[C@H]([NH3+])CNc1c([N+](=O)[O-])c(C)nn1C ZINC000082579244 371012709 /nfs/dbraw/zinc/01/27/09/371012709.db2.gz SIMSXMWMTHJBJG-ZETCQYMHSA-N 1 0 227.268 0.786 10 5 BCBERO C[C@@H]1C[C@@H]([NH3+])CN1c1c([N+](=O)[O-])ncn1C ZINC000600963125 371716332 /nfs/dbraw/zinc/71/63/32/371716332.db2.gz SPTCACYAEYTTNY-RNFRBKRXSA-N 1 0 225.252 0.254 10 5 BCBERO [NH3+]C1CC(Oc2ncc([N+](=O)[O-])s2)C1 ZINC000226789280 371744897 /nfs/dbraw/zinc/74/48/97/371744897.db2.gz REKNHLYUKTXSDI-UHFFFAOYSA-N 1 0 215.234 0.920 10 5 BCBERO O=[N+]([O-])c1ccnc(OC[C@H]2CC[NH2+]C2)c1 ZINC000051888864 182954311 /nfs/dbraw/zinc/95/43/11/182954311.db2.gz ZZFQSQIXDNULDO-QMMMGPOBSA-N 1 0 223.232 0.978 10 5 BCBERO C[C@@H](C[NH3+])Nc1ncc([N+](=O)[O-])s1 ZINC000226780553 259618749 /nfs/dbraw/zinc/61/87/49/259618749.db2.gz JNKFFSRPJXGLQI-BYPYZUCNSA-N 1 0 202.239 0.810 10 5 BCBERO O=[N+]([O-])c1ccc(N[C@H]2CC[NH2+]C2)cn1 ZINC000052093745 385149320 /nfs/dbraw/zinc/14/93/20/385149320.db2.gz WOAMHNDYDOQZNT-QMMMGPOBSA-N 1 0 208.221 0.764 10 5 BCBERO CN(CC(C)(C)C[NH3+])c1ncc([N+](=O)[O-])cn1 ZINC000093874623 388746985 /nfs/dbraw/zinc/74/69/85/388746985.db2.gz LAXJYSHNKWMKAJ-UHFFFAOYSA-N 1 0 239.279 0.806 10 5 BCBERO [NH3+]C1CCN(c2cc([N+](=O)[O-])ccn2)CC1 ZINC000043568378 132353411 /nfs/dbraw/zinc/35/34/11/132353411.db2.gz QPQKVTQMEJVSBI-UHFFFAOYSA-N 1 0 222.248 0.917 10 5 BCBERO [NH3+][C@@H]1CCCN(c2cc([N+](=O)[O-])ccn2)C1 ZINC000043568514 132353473 /nfs/dbraw/zinc/35/34/73/132353473.db2.gz NMNNJONTDPUPCV-MRVPVSSYSA-N 1 0 222.248 0.917 10 5 BCBERO C[C@H]1CN(c2ccncc2[N+](=O)[O-])CC[NH2+]1 ZINC000052783368 132362466 /nfs/dbraw/zinc/36/24/66/132362466.db2.gz WFJIEHSKRXACGN-QMMMGPOBSA-N 1 0 222.248 0.788 10 5 BCBERO CCn1c(C)nc([N+](=O)[O-])c1NCC[NH3+] ZINC000261531806 135160578 /nfs/dbraw/zinc/16/05/78/135160578.db2.gz HXRVZTOFPLJZEL-UHFFFAOYSA-N 1 0 213.241 0.490 10 5 BCBERO CC(C)COC(=O)C[C@H](O)C[N+](C)(C)C ZINC000002540756 167020272 /nfs/dbraw/zinc/02/02/72/167020272.db2.gz ZMMYCSLZEBZFSM-JTQLQIEISA-N 1 0 218.317 0.643 10 5 in-vitro BCBERO CC[NH2+]CCCNc1c([N+](=O)[O-])ncn1C ZINC000038043416 170112808 /nfs/dbraw/zinc/11/28/08/170112808.db2.gz UIVIVUFKOUOBRD-UHFFFAOYSA-N 1 0 227.268 0.740 10 5 BCBERO CC[NH2+]Cc1nnnn1-c1cccc([N+](=O)[O-])c1 ZINC000054744724 170131408 /nfs/dbraw/zinc/13/14/08/170131408.db2.gz UQWKPYZSGHIBHY-UHFFFAOYSA-N 1 0 248.246 0.680 10 5 BCBERO [NH3+]CC1(CCNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000404701686 412298106 /nfs/dbraw/zinc/29/81/06/412298106.db2.gz YXRVWUQVFOFYKQ-UHFFFAOYSA-N 1 0 237.263 0.926 10 5 BCBERO CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C1C[NH2+]C1 ZINC000228393387 172314689 /nfs/dbraw/zinc/31/46/89/172314689.db2.gz NVIHNUGEOSMZPM-UHFFFAOYSA-N 1 0 249.270 0.568 10 5 BCBERO CN1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])o2)C1 ZINC000042545671 173123199 /nfs/dbraw/zinc/12/31/99/173123199.db2.gz CBXXWGLJHJJHTG-MRVPVSSYSA-N 1 0 225.248 0.982 10 5 BCBERO C[NH2+]C[C@@H](O)COc1cc(C)ccc1[N+](=O)[O-] ZINC000019865025 173365812 /nfs/dbraw/zinc/36/58/12/173365812.db2.gz NBCAZSFQESZGHW-SECBINFHSA-N 1 0 240.259 0.862 10 5 BCBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH3+] ZINC000035222599 175017693 /nfs/dbraw/zinc/01/76/93/175017693.db2.gz IMWMJUVEOPJTGS-UHFFFAOYSA-N 1 0 239.231 0.891 10 5 BCBERO C[C@@H]1CN(c2ncccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000235338388 176321469 /nfs/dbraw/zinc/32/14/69/176321469.db2.gz HEZRYAPVJWBLAR-SFYZADRCSA-N 1 0 222.248 0.773 10 5 BCBERO O=[N+]([O-])c1cnc(NCC[C@H]2CC[NH2+]C2)nc1 ZINC000110798754 588696361 /nfs/dbraw/zinc/69/63/61/588696361.db2.gz PQZQEWMPZTYTKM-MRVPVSSYSA-N 1 0 237.263 0.796 10 5 BCBERO C[NH2+]CCOCCNc1ncccc1[N+](=O)[O-] ZINC000600950643 631249323 /nfs/dbraw/zinc/24/93/23/631249323.db2.gz BAKGVQBGQPXARM-UHFFFAOYSA-N 1 0 240.263 0.638 10 5 BCBERO C[C@@H]([NH3+])CN(C)c1ncccc1[N+](=O)[O-] ZINC000308843525 631689858 /nfs/dbraw/zinc/68/98/58/631689858.db2.gz OGPPONHDTMNJQA-SSDOTTSWSA-N 1 0 210.237 0.773 10 5 BCBERO C[C@@H]1[NH2+]CCC[C@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000229597084 632979664 /nfs/dbraw/zinc/97/96/64/632979664.db2.gz GRQHBIHFMJUSKJ-IONNQARKSA-N 1 0 237.263 0.937 10 5 BCBERO [NH3+]C[C@H]1CCCN1c1ncc([N+](=O)[O-])cn1 ZINC000168996126 640835639 /nfs/dbraw/zinc/83/56/39/640835639.db2.gz KIQZJFPALMAYNF-SSDOTTSWSA-N 1 0 223.236 0.312 10 5 BCBERO CN(c1nc2cc([N+](=O)[O-])ccc2[nH]1)C1C[NH2+]C1 ZINC000094772247 641360621 /nfs/dbraw/zinc/36/06/21/641360621.db2.gz HDFKBAMQSYNVTQ-UHFFFAOYSA-N 1 0 247.258 0.879 10 5 BCBERO [NH3+]C[C@@H]1CCC[C@@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000089092349 644534742 /nfs/dbraw/zinc/53/47/42/644534742.db2.gz XCERGFLYNMWYER-CBAPKCEASA-N 1 0 237.263 0.924 10 5 BCBERO CN(CC[NH3+])c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000094772139 644726697 /nfs/dbraw/zinc/72/66/97/644726697.db2.gz ZVEOJKNKSKMPKJ-UHFFFAOYSA-N 1 0 235.247 0.866 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1N[C@H]1CCC[C@H]1C[NH3+] ZINC000115339648 645623981 /nfs/dbraw/zinc/62/39/81/645623981.db2.gz MJMNUDNEAHHYMV-YUMQZZPRSA-N 1 0 239.279 0.868 10 5 BCBERO Cc1nn(C)c(N(C)C[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000309197680 711595157 /nfs/dbraw/zinc/59/51/57/711595157.db2.gz MFRUXCWNFVVILL-ZCFIWIBFSA-N 1 0 227.268 0.420 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1NC[C@H]1C[C@@H]([NH3+])C1 ZINC000715153739 712512730 /nfs/dbraw/zinc/51/27/30/712512730.db2.gz ZJSDBGMTSZHNDH-KNVOCYPGSA-N 1 0 225.252 0.478 10 5 BCBERO C[C@@H]1C[NH2+]C[C@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000721980094 711856394 /nfs/dbraw/zinc/85/63/94/711856394.db2.gz CGNNCAGYGATWMS-HTRCEHHLSA-N 1 0 223.236 0.405 10 5 BCBERO NC(=O)C1CC([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000716731362 712571521 /nfs/dbraw/zinc/57/15/21/712571521.db2.gz MBORFQZCSIOAKC-UHFFFAOYSA-N 1 0 249.270 0.948 10 5 BCBERO CC1(C)CN(c2ncc([N+](=O)[O-])cn2)C[C@@H]1[NH3+] ZINC000720830131 712869117 /nfs/dbraw/zinc/86/91/17/712869117.db2.gz YSPGZRACAHBIIW-QMMMGPOBSA-N 1 0 237.263 0.558 10 5 BCBERO CC(=O)OC[C@H](C[N+](C)(C)C)OC(C)=O ZINC000038917545 717126693 /nfs/dbraw/zinc/12/66/93/717126693.db2.gz YCQQSLOWOLMUOO-JTQLQIEISA-N 1 0 218.273 0.187 10 5 BCBERO C[C@@H]([NH3+])C[C@H](C)Nc1ncc([N+](=O)[O-])cn1 ZINC000320593003 342734737 /nfs/dbraw/zinc/73/47/37/342734737.db2.gz WAOJSAIIRSYLBQ-RQJHMYQMSA-N 1 0 225.252 0.923 10 5 BCBERO Cc1cc([N+](=O)[O-])cnc1NC1C[NH2+]C1 ZINC000085256818 344512984 /nfs/dbraw/zinc/51/29/84/344512984.db2.gz FAJHIACJYKZLCG-UHFFFAOYSA-N 1 0 208.221 0.682 10 5 BCBERO Cc1nn(C)c(N[C@@H](C)[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000381533004 344518036 /nfs/dbraw/zinc/51/80/36/344518036.db2.gz BECUZAUTAXNMJQ-RITPCOANSA-N 1 0 227.268 0.784 10 5 BCBERO O=[N+]([O-])c1ncn(C[C@@H]2CCCC[NH2+]2)n1 ZINC000043494443 187293364 /nfs/dbraw/zinc/29/33/64/187293364.db2.gz CGVMJPCSKHYKGG-ZETCQYMHSA-N 1 0 211.225 0.328 10 5 BCBERO C[C@H]1C[C@@H]([NH3+])CN1c1ccc([N+](=O)[O-])nc1 ZINC000600963300 344906525 /nfs/dbraw/zinc/90/65/25/344906525.db2.gz UQLVUNMUSJWMTQ-JGVFFNPUSA-N 1 0 222.248 0.916 10 5 BCBERO O=[N+]([O-])c1cnc(NC[C@@H]2CCCC[NH2+]2)nc1 ZINC000044493151 345095830 /nfs/dbraw/zinc/09/58/30/345095830.db2.gz DWCHEZAENIHPPE-QMMMGPOBSA-N 1 0 237.263 0.939 10 5 BCBERO [NH3+]C[C@H]1CN(c2ccccc2[N+](=O)[O-])CCO1 ZINC000158930454 346199458 /nfs/dbraw/zinc/19/94/58/346199458.db2.gz MBPKSPWSVVRSHT-VIFPVBQESA-N 1 0 237.259 0.759 10 5 BCBERO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000062116867 346205227 /nfs/dbraw/zinc/20/52/27/346205227.db2.gz ZGTPVYGOROMSTK-JTQLQIEISA-N 1 0 249.270 0.821 10 5 BCBERO Cc1nn(C)c(NCC2([NH3+])CCC2)c1[N+](=O)[O-] ZINC000235967306 180357802 /nfs/dbraw/zinc/35/78/02/180357802.db2.gz GWYJELSWQUWVAY-UHFFFAOYSA-N 1 0 239.279 0.930 10 5 BCBERO Cc1nn(C)c(N[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000052093893 180359845 /nfs/dbraw/zinc/35/98/45/180359845.db2.gz GLJJWBPHAROIRH-ZETCQYMHSA-N 1 0 225.252 0.411 10 5 BCBERO Cc1nn(C)c(N[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000071397794 180359901 /nfs/dbraw/zinc/35/99/01/180359901.db2.gz RAOCBWBSXDGYNM-MRVPVSSYSA-N 1 0 239.279 0.801 10 5 BCBERO C[NH2+][C@@H](C)CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000383009139 351164216 /nfs/dbraw/zinc/16/42/16/351164216.db2.gz AQQFMKBMLZQIRR-ZETCQYMHSA-N 1 0 240.263 0.271 10 5 BCBERO C[C@H](C[NH3+])N(C)c1ccc([N+](=O)[O-])cn1 ZINC000383021259 351167041 /nfs/dbraw/zinc/16/70/41/351167041.db2.gz QFSZAUPSNOTIIW-SSDOTTSWSA-N 1 0 210.237 0.773 10 5 BCBERO Cc1nn(C)c(NCC[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000063171780 351269577 /nfs/dbraw/zinc/26/95/77/351269577.db2.gz YVOKGIMYGZDKRM-ZCFIWIBFSA-N 1 0 227.268 0.786 10 5 BCBERO C[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000034936984 351351347 /nfs/dbraw/zinc/35/13/47/351351347.db2.gz AILOWLUUKBACHC-UHFFFAOYSA-N 1 0 239.231 0.761 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1NC1CC[NH2+]CC1 ZINC000035663876 180771979 /nfs/dbraw/zinc/77/19/79/180771979.db2.gz NWTAQWVZXCGFLC-UHFFFAOYSA-N 1 0 225.252 0.492 10 5 BCBERO NC(=O)CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000037659233 181222156 /nfs/dbraw/zinc/22/21/56/181222156.db2.gz MNKNDINRCLDCIW-UHFFFAOYSA-N 1 0 237.259 0.950 10 5 BCBERO NC(=O)C[C@@H]([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000044250835 181241164 /nfs/dbraw/zinc/24/11/64/181241164.db2.gz SBEFNSNEOBFAKY-MRVPVSSYSA-N 1 0 209.205 0.470 10 5 BCBERO [NH3+]C1CC(Nc2ncccc2[N+](=O)[O-])C1 ZINC000036268736 181340408 /nfs/dbraw/zinc/34/04/08/181340408.db2.gz JLRLBKPBEOFQIE-UHFFFAOYSA-N 1 0 208.221 0.891 10 5 BCBERO [NH3+]C[C@H](O)COc1cc(F)ccc1[N+](=O)[O-] ZINC000022215153 181448649 /nfs/dbraw/zinc/44/86/49/181448649.db2.gz STFGRNPSJHDWGW-ZETCQYMHSA-N 1 0 230.195 0.432 10 5 BCBERO [NH3+]C[C@H]1CCCN1c1ncc([N+](=O)[O-])s1 ZINC000226783617 181461504 /nfs/dbraw/zinc/46/15/04/181461504.db2.gz OYQMEPTVYFJVEY-ZCFIWIBFSA-N 1 0 228.277 0.979 10 5 BCBERO C[C@H]([NH3+])CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000111302514 370125869 /nfs/dbraw/zinc/12/58/69/370125869.db2.gz CVWKXZRZFIRKEP-LURJTMIESA-N 1 0 238.247 0.453 10 5 BCBERO C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)C[C@@H]1C[NH3+] ZINC000600960224 371716305 /nfs/dbraw/zinc/71/63/05/371716305.db2.gz BTHJZDDJMDPNDP-SFYZADRCSA-N 1 0 239.279 0.359 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1N[C@H]1CC[NH2+]C1 ZINC000060393371 383905543 /nfs/dbraw/zinc/90/55/43/383905543.db2.gz YXKMGJUSYLZRHK-LURJTMIESA-N 1 0 211.225 0.102 10 5 BCBERO COC(=O)c1ccc(C[NH3+])cc1[N+](=O)[O-] ZINC000039084066 384181716 /nfs/dbraw/zinc/18/17/16/384181716.db2.gz SJZMGHPHHMQUFE-UHFFFAOYSA-N 1 0 210.189 0.840 10 5 BCBERO [NH3+][C@@H](CO)c1cc(F)ccc1[N+](=O)[O-] ZINC000072197877 384809917 /nfs/dbraw/zinc/80/99/17/384809917.db2.gz MQHNYQXPVIGQLJ-ZETCQYMHSA-N 1 0 200.169 0.726 10 5 BCBERO [NH3+]CCc1nnc(Cc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000072236562 384842391 /nfs/dbraw/zinc/84/23/91/384842391.db2.gz KKAJRFKMQIYTDZ-UHFFFAOYSA-N 1 0 247.258 0.805 10 5 BCBERO CCn1nc(C)c([N+](=O)[O-])c1NCC[NH3+] ZINC000085022186 385017629 /nfs/dbraw/zinc/01/76/29/385017629.db2.gz QXXPRDAVYDCVHP-UHFFFAOYSA-N 1 0 213.241 0.490 10 5 BCBERO CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)C[NH3+] ZINC000085022550 385018461 /nfs/dbraw/zinc/01/84/61/385018461.db2.gz UUTMIYOIFIFVES-ZCFIWIBFSA-N 1 0 227.268 0.879 10 5 BCBERO [NH3+][C@H]1CCn2c1nc1cc([N+](=O)[O-])ccc1c2=O ZINC000072266451 385144403 /nfs/dbraw/zinc/14/44/03/385144403.db2.gz OSODITNBZWTFHF-QMMMGPOBSA-N 1 0 246.226 0.708 10 5 BCBERO Cc1cnc(N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000036226498 132318703 /nfs/dbraw/zinc/31/87/03/132318703.db2.gz XENKCDQLPKMBDK-UHFFFAOYSA-N 1 0 222.248 0.708 10 5 BCBERO Nc1cc([N+](=O)[O-])ccc1N1CC[NH2+]CC1 ZINC000052841488 132362726 /nfs/dbraw/zinc/36/27/26/132362726.db2.gz RSZNXJKXUCONRB-UHFFFAOYSA-N 1 0 222.248 0.587 10 5 BCBERO Cc1cc(N2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC000036245115 132318722 /nfs/dbraw/zinc/31/87/22/132318722.db2.gz PYADQCMUOJFWQA-UHFFFAOYSA-N 1 0 222.248 0.708 10 5 BCBERO [NH3+][C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000040434946 132347558 /nfs/dbraw/zinc/34/75/58/132347558.db2.gz HOYDPTIKFSAADJ-MRVPVSSYSA-N 1 0 222.248 0.917 10 5 BCBERO [NH3+]C[C@H]1CCCN1c1ccc([N+](=O)[O-])nc1 ZINC000168990922 134876007 /nfs/dbraw/zinc/87/60/07/134876007.db2.gz LNUILHNDJFKBEF-MRVPVSSYSA-N 1 0 222.248 0.917 10 5 BCBERO C[C@H]1CN(c2ncccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000261533357 135164901 /nfs/dbraw/zinc/16/49/01/135164901.db2.gz HEZRYAPVJWBLAR-JGVFFNPUSA-N 1 0 222.248 0.773 10 5 BCBERO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[NH2+]C1 ZINC000261566197 135208552 /nfs/dbraw/zinc/20/85/52/135208552.db2.gz YTZMSRUAEXZMDZ-MRVPVSSYSA-N 1 0 239.279 0.893 10 5 BCBERO CCc1nn(C)c(N(C)CC[NH3+])c1[N+](=O)[O-] ZINC000085021037 135477963 /nfs/dbraw/zinc/47/79/63/135477963.db2.gz PUHZZFKYSMDYAQ-UHFFFAOYSA-N 1 0 227.268 0.286 10 5 BCBERO C[NH2+]CCN(C)c1cc(C)c([N+](=O)[O-])cn1 ZINC000086001885 135489505 /nfs/dbraw/zinc/48/95/05/135489505.db2.gz BSJWQNRHVHJGJC-UHFFFAOYSA-N 1 0 224.264 0.954 10 5 BCBERO CC(C)COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC000006693271 167020959 /nfs/dbraw/zinc/02/09/59/167020959.db2.gz ZMMYCSLZEBZFSM-SNVBAGLBSA-N 1 0 218.317 0.643 10 5 BCBERO CCc1nn(C)c(N(C)CC[NH2+]C)c1[N+](=O)[O-] ZINC000091561235 172039141 /nfs/dbraw/zinc/03/91/41/172039141.db2.gz FLCSSOOTETURPF-UHFFFAOYSA-N 1 0 241.295 0.546 10 5 BCBERO C[NH2+]CCNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000054244035 173355348 /nfs/dbraw/zinc/35/53/48/173355348.db2.gz XMPOOSYGQUKPAD-UHFFFAOYSA-N 1 0 241.222 0.683 10 5 BCBERO C[NH2+]C[C@H](O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000019864526 173377018 /nfs/dbraw/zinc/37/70/18/173377018.db2.gz HAWJBFMQWSWOOB-VIFPVBQESA-N 1 0 240.259 0.862 10 5 BCBERO C[NH2+]Cc1ccc(OCC(N)=O)c([N+](=O)[O-])c1 ZINC000034660208 173388698 /nfs/dbraw/zinc/38/86/98/173388698.db2.gz IMOOZVADNIGPSB-UHFFFAOYSA-N 1 0 239.231 0.178 10 5 BCBERO COc1ccc(-c2nnc(C[NH3+])[nH]2)cc1[N+](=O)[O-] ZINC000072237706 175037501 /nfs/dbraw/zinc/03/75/01/175037501.db2.gz HWVNWUNNYFIVPE-UHFFFAOYSA-N 1 0 249.230 0.847 10 5 BCBERO COc1cccc(N(C)CC[NH3+])c1[N+](=O)[O-] ZINC000129716757 175274909 /nfs/dbraw/zinc/27/49/09/175274909.db2.gz CXPUMIOKKXFLTO-UHFFFAOYSA-N 1 0 225.248 0.998 10 5 BCBERO O=[N+]([O-])c1cccc([C@@H]2[NH2+]CC[C@H]2O)c1 ZINC000536953093 323959554 /nfs/dbraw/zinc/95/95/54/323959554.db2.gz INORMRZMNYYLTM-ZJUUUORDSA-N 1 0 208.217 0.990 10 5 BCBERO O=[N+]([O-])c1ccc(NC2C[NH2+]C2)c2nonc21 ZINC000090289411 641424131 /nfs/dbraw/zinc/42/41/31/641424131.db2.gz MCMDTWKJSFQTSY-UHFFFAOYSA-N 1 0 235.203 0.515 10 5 BCBERO C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)[C@@H](C)C[NH2+]1 ZINC000086471303 644466685 /nfs/dbraw/zinc/46/66/85/644466685.db2.gz BTADGJZRFHODKL-SFYZADRCSA-N 1 0 239.279 0.515 10 5 BCBERO [NH3+][C@@H]1CCN(c2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000096134274 644799043 /nfs/dbraw/zinc/79/90/43/644799043.db2.gz LZWJYNPMXLUKGS-MRVPVSSYSA-N 1 0 247.258 0.780 10 5 BCBERO C[N+]1(C)CCO[C@](O)(c2ccc(N)cc2)C1 ZINC000205086216 717159340 /nfs/dbraw/zinc/15/93/40/717159340.db2.gz XPQIRNBONHURTF-LBPRGKRZSA-N 1 0 223.296 0.521 10 5 BCBERO CC(=O)O[C@@H](C)CC(=O)OCC[N+](C)(C)C ZINC000001856014 717091037 /nfs/dbraw/zinc/09/10/37/717091037.db2.gz GFHRYNLINQGSDA-VIFPVBQESA-N 1 0 232.300 0.578 10 5 BCBERO CCOC(=O)CCC(=O)OCC[N+](C)(C)C ZINC000005952788 717102880 /nfs/dbraw/zinc/10/28/80/717102880.db2.gz BUQNGPTUYPWZJB-UHFFFAOYSA-N 1 0 232.300 0.579 10 5 BCBERO CC[NH2+][C@H](C)CNc1c([N+](=O)[O-])ncn1C ZINC000387484617 342698924 /nfs/dbraw/zinc/69/89/24/342698924.db2.gz XAACEGOGRLGAAL-SSDOTTSWSA-N 1 0 227.268 0.738 10 5 BCBERO C[C@H](C[C@H](C)[NH3+])Nc1ncc([N+](=O)[O-])cn1 ZINC000320593000 342734670 /nfs/dbraw/zinc/73/46/70/342734670.db2.gz WAOJSAIIRSYLBQ-NKWVEPMBSA-N 1 0 225.252 0.923 10 5 BCBERO C[C@@H]1C[C@H]([NH3+])CN1c1ccc([N+](=O)[O-])nc1 ZINC000600963301 344020770 /nfs/dbraw/zinc/02/07/70/344020770.db2.gz UQLVUNMUSJWMTQ-SFYZADRCSA-N 1 0 222.248 0.916 10 5 BCBERO CCN(CC[NH3+])c1c([N+](=O)[O-])c(C)nn1C ZINC000165930931 344232375 /nfs/dbraw/zinc/23/23/75/344232375.db2.gz QSRXVMQNKYDROE-UHFFFAOYSA-N 1 0 227.268 0.422 10 5 BCBERO CCN(CC[NH3+])c1c([N+](=O)[O-])ncn1C ZINC000165927854 344233866 /nfs/dbraw/zinc/23/38/66/344233866.db2.gz RTBDHJFVBXDCDF-UHFFFAOYSA-N 1 0 213.241 0.113 10 5 BCBERO Cc1nn(C)c(N[C@H](C)[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000381532992 344518028 /nfs/dbraw/zinc/51/80/28/344518028.db2.gz BECUZAUTAXNMJQ-NTSWFWBYSA-N 1 0 227.268 0.784 10 5 BCBERO C[C@H]1CN(c2ncc([N+](=O)[O-])cn2)C[C@H]1C[NH3+] ZINC000600961642 344691649 /nfs/dbraw/zinc/69/16/49/344691649.db2.gz TWZIRPSTYYMLCA-JGVFFNPUSA-N 1 0 237.263 0.416 10 5 BCBERO C[C@H]1CN(c2ncc([N+](=O)[O-])cn2)C[C@@H]1C[NH3+] ZINC000600961644 344691651 /nfs/dbraw/zinc/69/16/51/344691651.db2.gz TWZIRPSTYYMLCA-YUMQZZPRSA-N 1 0 237.263 0.416 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCCC[NH2+]1 ZINC000044493290 345095923 /nfs/dbraw/zinc/09/59/23/345095923.db2.gz ZJSPNVAMXOPZDK-QMMMGPOBSA-N 1 0 239.279 0.882 10 5 BCBERO Cc1nn(C)c(N(C)CCC[NH3+])c1[N+](=O)[O-] ZINC000227749906 345553506 /nfs/dbraw/zinc/55/35/06/345553506.db2.gz JOXWFIGTYVNDSR-UHFFFAOYSA-N 1 0 227.268 0.422 10 5 BCBERO O=C1CC/[N+](=C/c2ccc([N+](=O)[O-])cc2)N1 ZINC000033804529 345812608 /nfs/dbraw/zinc/81/26/08/345812608.db2.gz DKMHPXNWIBOXCI-GHXNOFRVSA-O 1 0 220.208 0.461 10 5 BCBERO O=[N+]([O-])c1ccc(NC[C@@H]2COCC[NH2+]2)cc1 ZINC000236421820 346239199 /nfs/dbraw/zinc/23/91/99/346239199.db2.gz NQDANLCXSCUJDX-SNVBAGLBSA-N 1 0 237.259 0.995 10 5 BCBERO CC[N@@H+]1CC[C@@H](Nc2ccncc2[N+](=O)[O-])C1 ZINC000389410341 346253489 /nfs/dbraw/zinc/25/34/89/346253489.db2.gz RVFKTBBSYBGNSQ-SECBINFHSA-N 1 0 236.275 0.918 10 5 BCBERO Cc1cnc(N2CC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000203535139 346636480 /nfs/dbraw/zinc/63/64/80/346636480.db2.gz USYZHHZFLAJTEJ-QMMMGPOBSA-N 1 0 222.248 0.836 10 5 BCBERO Cc1nn(C)c(NC2CC([NH3+])C2)c1[N+](=O)[O-] ZINC000036268724 180357796 /nfs/dbraw/zinc/35/77/96/180357796.db2.gz IIYLXOOAPQLQBZ-UHFFFAOYSA-N 1 0 225.252 0.538 10 5 BCBERO C[NH2+][C@H](C)CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000383009138 351164231 /nfs/dbraw/zinc/16/42/31/351164231.db2.gz AQQFMKBMLZQIRR-SSDOTTSWSA-N 1 0 240.263 0.271 10 5 BCBERO Cc1nn(C)c(NCC[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000063171781 351269468 /nfs/dbraw/zinc/26/94/68/351269468.db2.gz YVOKGIMYGZDKRM-LURJTMIESA-N 1 0 227.268 0.786 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1N1CCCC[C@@H]1C[NH3+] ZINC000044559394 352655677 /nfs/dbraw/zinc/65/56/77/352655677.db2.gz BAFLTOWKPJERCL-MRVPVSSYSA-N 1 0 239.279 0.646 10 5 BCBERO COc1ccc([N+](=O)[O-])c(N(C)CC[NH3+])c1 ZINC000087544513 355365142 /nfs/dbraw/zinc/36/51/42/355365142.db2.gz WGXCZKOZMUHVEP-UHFFFAOYSA-N 1 0 225.248 0.998 10 5 BCBERO NC(=O)C[C@H]([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000044250837 181244833 /nfs/dbraw/zinc/24/48/33/181244833.db2.gz SBEFNSNEOBFAKY-QMMMGPOBSA-N 1 0 209.205 0.470 10 5 BCBERO O=[N+]([O-])c1ccc(NC[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000420250073 192186813 /nfs/dbraw/zinc/18/68/13/192186813.db2.gz JMWKWHNUNGPXIR-GZMMTYOYSA-N 1 0 237.259 0.587 10 5 BCBERO [NH3+]C1(c2ccccc2[N+](=O)[O-])CC(O)C1 ZINC000675058421 538481098 /nfs/dbraw/zinc/48/10/98/538481098.db2.gz FGVKLXBQNBCYNR-UHFFFAOYSA-N 1 0 208.217 0.904 10 5 BCBERO COc1ccc(NC2=[NH+]CCN2)c([N+](=O)[O-])c1 ZINC000675072534 538503281 /nfs/dbraw/zinc/50/32/81/538503281.db2.gz IWLRZQOZYHEDQY-UHFFFAOYSA-N 1 0 236.231 0.975 10 5 BCBERO NC(=O)c1cc([N+](=O)[O-])ccc1OC1C[NH2+]C1 ZINC000062810145 181292112 /nfs/dbraw/zinc/29/21/12/181292112.db2.gz NIARFTJRNAHCHH-UHFFFAOYSA-N 1 0 237.215 0.044 10 5 BCBERO [NH3+]C1CC(Nc2ccncc2[N+](=O)[O-])C1 ZINC000036268645 181340672 /nfs/dbraw/zinc/34/06/72/181340672.db2.gz FMBNFLDZOCQOCI-UHFFFAOYSA-N 1 0 208.221 0.891 10 5 BCBERO CCN(CC[NH3+])c1c([N+](=O)[O-])c(C)nn1CC ZINC000122836818 363885829 /nfs/dbraw/zinc/88/58/29/363885829.db2.gz KRBASGWMMBIXPA-UHFFFAOYSA-N 1 0 241.295 0.905 10 5 BCBERO [NH3+]CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015906 181354475 /nfs/dbraw/zinc/35/44/75/181354475.db2.gz KSEKYBFWOSCMAT-UHFFFAOYSA-N 1 0 209.205 0.170 10 5 BCBERO [NH3+]CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000037902516 181394239 /nfs/dbraw/zinc/39/42/39/181394239.db2.gz MWXSOPFCFMYELY-UHFFFAOYSA-N 1 0 224.220 0.675 10 5 BCBERO [NH3+]CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000037902483 181395453 /nfs/dbraw/zinc/39/54/53/181395453.db2.gz FSHVCSUOXTVQNF-UHFFFAOYSA-N 1 0 243.650 0.937 10 5 BCBERO [NH3+]CCNc1ccc([N+](=O)[O-])c2nonc21 ZINC000021948882 181398197 /nfs/dbraw/zinc/39/81/97/181398197.db2.gz MWKWXGUOYYUZCB-UHFFFAOYSA-N 1 0 223.192 0.502 10 5 BCBERO [NH3+]C[C@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000050249834 181464179 /nfs/dbraw/zinc/46/41/79/181464179.db2.gz DUAKKXUGBWPEHK-MRVPVSSYSA-N 1 0 222.248 0.775 10 5 BCBERO CC(C)[C@H]([NH3+])CNc1ncc([N+](=O)[O-])cn1 ZINC000070010792 371002659 /nfs/dbraw/zinc/00/26/59/371002659.db2.gz IHCWGVLYUBEYRJ-MRVPVSSYSA-N 1 0 225.252 0.780 10 5 BCBERO C[C@@H]1[NH2+]CC[C@H]1Nc1c([N+](=O)[O-])ncn1C ZINC000600956413 371713430 /nfs/dbraw/zinc/71/34/30/371713430.db2.gz CKMQOKOXIQGSNS-NKWVEPMBSA-N 1 0 225.252 0.491 10 5 BCBERO C[C@H]1C[C@@H]([NH3+])CN1c1ccc([N+](=O)[O-])cn1 ZINC000600962142 371716108 /nfs/dbraw/zinc/71/61/08/371716108.db2.gz AHXWHCNNYLHRCQ-JGVFFNPUSA-N 1 0 222.248 0.916 10 5 BCBERO C[C@@H]1C[C@@H]([NH3+])CN1c1ccc([N+](=O)[O-])cn1 ZINC000600962137 371716478 /nfs/dbraw/zinc/71/64/78/371716478.db2.gz AHXWHCNNYLHRCQ-HTQZYQBOSA-N 1 0 222.248 0.916 10 5 BCBERO C[C@H]([NH3+])CNc1ncc([N+](=O)[O-])s1 ZINC000226780527 371743388 /nfs/dbraw/zinc/74/33/88/371743388.db2.gz WLJKCNHDVVQGIZ-BYPYZUCNSA-N 1 0 202.239 0.810 10 5 BCBERO [NH3+][C@@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000226779362 384469016 /nfs/dbraw/zinc/46/90/16/384469016.db2.gz SIWITONCSZQLOX-ZCFIWIBFSA-N 1 0 228.277 0.979 10 5 BCBERO [NH3+]Cc1nnc(-c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000061843838 384790951 /nfs/dbraw/zinc/79/09/51/384790951.db2.gz PALCQPDNMWFTNZ-UHFFFAOYSA-N 1 0 219.204 0.839 10 5 BCBERO O=[N+]([O-])c1ccc(N[C@@H]2CC[NH2+]C2)cn1 ZINC000052093744 385149594 /nfs/dbraw/zinc/14/95/94/385149594.db2.gz WOAMHNDYDOQZNT-MRVPVSSYSA-N 1 0 208.221 0.764 10 5 BCBERO CC[C@H]([NH3+])CNc1c([N+](=O)[O-])ncn1C ZINC000111198137 385500253 /nfs/dbraw/zinc/50/02/53/385500253.db2.gz CWNGTWNQKLEOJT-LURJTMIESA-N 1 0 213.241 0.478 10 5 BCBERO O=[N+]([O-])c1cccnc1[S@](=O)[C@@H]1CC[NH2+]C1 ZINC000095091871 388760204 /nfs/dbraw/zinc/76/02/04/388760204.db2.gz HABXRSUEFGTSOY-QZTNRIJFSA-N 1 0 241.272 0.459 10 5 BCBERO C[C@H]1CN(c2ncc([N+](=O)[O-])cn2)CC[NH2+]1 ZINC000052783559 132362396 /nfs/dbraw/zinc/36/23/96/132362396.db2.gz FVBJTVLKJBTECK-ZETCQYMHSA-N 1 0 223.236 0.183 10 5 BCBERO CN(c1ccc([N+](=O)[O-])nc1)C1C[NH2+]C1 ZINC000085258478 134272808 /nfs/dbraw/zinc/27/28/08/134272808.db2.gz JRHBUBVHEICRAA-UHFFFAOYSA-N 1 0 208.221 0.398 10 5 BCBERO C[C@H]1[C@H]([NH3+])CCN1c1ncccc1[N+](=O)[O-] ZINC000261598994 135236617 /nfs/dbraw/zinc/23/66/17/135236617.db2.gz ZQVMJRKFFTWKCZ-JGVFFNPUSA-N 1 0 222.248 0.916 10 5 BCBERO CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000034938316 170119381 /nfs/dbraw/zinc/11/93/81/170119381.db2.gz MFLVJEULBNHUBZ-SECBINFHSA-N 1 0 240.259 0.944 10 5 BCBERO CN(c1ccc([N+](=O)[O-])nc1)[C@@H]1CC[NH2+]C1 ZINC000070897389 172949220 /nfs/dbraw/zinc/94/92/20/172949220.db2.gz PLUJYJLAVFWHGT-SECBINFHSA-N 1 0 222.248 0.788 10 5 BCBERO C[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000042547947 173125285 /nfs/dbraw/zinc/12/52/85/173125285.db2.gz DHKQASYGGSVWLE-SSDOTTSWSA-N 1 0 223.236 0.501 10 5 BCBERO C[NH2+]CC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000034979666 173334177 /nfs/dbraw/zinc/33/41/77/173334177.db2.gz JVVSHECOKMETJK-UHFFFAOYSA-N 1 0 227.195 0.892 10 5 BCBERO C[NH2+]CCn1cc(Br)c([N+](=O)[O-])n1 ZINC000042410575 173361990 /nfs/dbraw/zinc/36/19/90/173361990.db2.gz HCMNLISRYPVIGQ-UHFFFAOYSA-N 1 0 249.068 0.773 10 5 BCBERO C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1C ZINC000035283238 173365372 /nfs/dbraw/zinc/36/53/72/173365372.db2.gz ORULCZWXBDLISB-SECBINFHSA-N 1 0 240.259 0.862 10 5 BCBERO C[NH2+]C[C@@H](O)COc1cccc(C)c1[N+](=O)[O-] ZINC000035283683 173365765 /nfs/dbraw/zinc/36/57/65/173365765.db2.gz UBWCHPBMYPPCDI-SECBINFHSA-N 1 0 240.259 0.862 10 5 BCBERO C[NH2+]C[C@H](O)COc1cc([N+](=O)[O-])ccc1C ZINC000035678293 173376941 /nfs/dbraw/zinc/37/69/41/173376941.db2.gz WGUUHLLXKIXCEZ-JTQLQIEISA-N 1 0 240.259 0.862 10 5 BCBERO COc1cc([N+](=O)[O-])ccc1-n1cc(C[NH3+])nn1 ZINC000050224186 175017463 /nfs/dbraw/zinc/01/74/63/175017463.db2.gz XKTFKIATWIETFB-UHFFFAOYSA-N 1 0 249.230 0.643 10 5 BCBERO COc1ccc([C@H]([NH3+])CO)cc1[N+](=O)[O-] ZINC000072198160 175192345 /nfs/dbraw/zinc/19/23/45/175192345.db2.gz KYRISUCLLBIUDQ-SSDOTTSWSA-N 1 0 212.205 0.596 10 5 BCBERO CN(C(=O)c1csc([N+](=O)[O-])c1)C1C[NH2+]C1 ZINC000085257551 536069922 /nfs/dbraw/zinc/06/99/22/536069922.db2.gz JKTBIOMBJZQPNJ-UHFFFAOYSA-N 1 0 241.272 0.700 10 5 BCBERO [NH3+]C[C@@H]1CC(=O)Nc2ccc([N+](=O)[O-])cc21 ZINC000757175594 586433073 /nfs/dbraw/zinc/43/30/73/586433073.db2.gz MBHAZXPSBJGVGG-LURJTMIESA-N 1 0 221.216 0.979 10 5 BCBERO C[C@H]([NH3+])CN(C)c1ncc([N+](=O)[O-])cn1 ZINC000309046314 631823067 /nfs/dbraw/zinc/82/30/67/631823067.db2.gz NJGVCZZQSDAHAQ-LURJTMIESA-N 1 0 211.225 0.168 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000310423851 636032168 /nfs/dbraw/zinc/03/21/68/636032168.db2.gz RCGGJTMPPXFQAG-SFYZADRCSA-N 1 0 239.279 0.868 10 5 BCBERO Cc1nn(C)c(N2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000041030217 636953224 /nfs/dbraw/zinc/95/32/24/636953224.db2.gz PKUPKFMUAVKXOH-QMMMGPOBSA-N 1 0 239.279 0.564 10 5 BCBERO CCn1nc(C)c([N+](=O)[O-])c1N(C)CC[NH3+] ZINC000085022532 643680110 /nfs/dbraw/zinc/68/01/10/643680110.db2.gz NRMRTXYTWXNTRW-UHFFFAOYSA-N 1 0 227.268 0.515 10 5 BCBERO C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)[C@@H](C)C[NH2+]1 ZINC000086471337 644141136 /nfs/dbraw/zinc/14/11/36/644141136.db2.gz BHKUEZYUJJIUBL-SFYZADRCSA-N 1 0 237.263 0.571 10 5 BCBERO NC(=O)C1CC([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000716731355 712571528 /nfs/dbraw/zinc/57/15/28/712571528.db2.gz LWMSLSISKKBEJG-UHFFFAOYSA-N 1 0 249.270 0.948 10 5 BCBERO C[C@@H]1C[C@]2(C[C@H](C[N+](C)(C)C)OC2=O)C(=O)O1 ZINC000005735980 717101152 /nfs/dbraw/zinc/10/11/52/717101152.db2.gz KMLDFWXPPAXUIY-LNLATYFQSA-N 1 0 242.295 0.330 10 5 BCBERO CCCCCC[C@@H](O)C[N+](C)(C)C[C@H](O)CO ZINC000038647497 717126244 /nfs/dbraw/zinc/12/62/44/717126244.db2.gz RLBHXEXHWOZGKV-OLZOCXBDSA-N 1 0 248.387 0.747 10 5 BCBERO CCCC(=O)O[C@H](C)C(=O)OCC[N+](C)(C)C ZINC000033825000 717122147 /nfs/dbraw/zinc/12/21/47/717122147.db2.gz WYDATEOVRNOZSA-SNVBAGLBSA-N 1 0 246.327 0.968 10 5 BCBERO CN(C)C(=O)O[C@H]1CCC[N+](C)(C)C1 ZINC000033856063 717122605 /nfs/dbraw/zinc/12/26/05/717122605.db2.gz DCHNOAGSWLKFGR-VIFPVBQESA-N 1 0 201.290 0.923 10 5 BCBERO C[C@@H]([NH3+])C[C@@H](C)Nc1ncc([N+](=O)[O-])cn1 ZINC000320593002 342734692 /nfs/dbraw/zinc/73/46/92/342734692.db2.gz WAOJSAIIRSYLBQ-RNFRBKRXSA-N 1 0 225.252 0.923 10 5 BCBERO C[C@@H]([NH3+])C[C@@H](C)Nc1c([N+](=O)[O-])ncn1C ZINC000320586477 342734773 /nfs/dbraw/zinc/73/47/73/342734773.db2.gz VAJUALNQAZOLHW-RNFRBKRXSA-N 1 0 227.268 0.866 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCC[NH2+]1 ZINC000105214311 398326449 /nfs/dbraw/zinc/32/64/49/398326449.db2.gz SAIHYMZDAINLFB-SSDOTTSWSA-N 1 0 225.252 0.492 10 5 BCBERO COc1ccc([C@@H](N)C[NH3+])cc1[N+](=O)[O-] ZINC000072200784 343069581 /nfs/dbraw/zinc/06/95/81/343069581.db2.gz FMZQURVEPYDXIB-ZETCQYMHSA-N 1 0 211.221 0.562 10 5 BCBERO CCn1nc(C)c([N+](=O)[O-])c1NC1C[NH2+]C1 ZINC000085256579 344513067 /nfs/dbraw/zinc/51/30/67/344513067.db2.gz RCNAEZZWAJULID-UHFFFAOYSA-N 1 0 225.252 0.503 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000382438749 346182713 /nfs/dbraw/zinc/18/27/13/346182713.db2.gz YIBUALXRKZLXCX-JGVFFNPUSA-N 1 0 239.279 0.868 10 5 BCBERO O=[N+]([O-])c1ccc(NC[C@@H]2COCC[NH2+]2)cn1 ZINC000236421831 346239449 /nfs/dbraw/zinc/23/94/49/346239449.db2.gz VWMQWVCRRHMUAR-SECBINFHSA-N 1 0 238.247 0.390 10 5 BCBERO C[C@@H]([NH3+])[C@H](C)Nc1ncc([N+](=O)[O-])cn1 ZINC000381800813 346441786 /nfs/dbraw/zinc/44/17/86/346441786.db2.gz UFNPNMCVCJWVQE-RITPCOANSA-N 1 0 211.225 0.532 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1NCC12CC(C1)C[NH2+]2 ZINC000596027751 348425572 /nfs/dbraw/zinc/42/55/72/348425572.db2.gz WOMSTQJKJYYYAE-UHFFFAOYSA-N 1 0 237.263 0.492 10 5 BCBERO CCc1nn(C)c(N[C@H](C)C[NH2+]C)c1[N+](=O)[O-] ZINC000596032832 348427211 /nfs/dbraw/zinc/42/72/11/348427211.db2.gz PAXGXZSBLHXFHU-SSDOTTSWSA-N 1 0 241.295 0.911 10 5 BCBERO Cc1nn(C)c(NC[C@H]([NH3+])C2CC2)c1[N+](=O)[O-] ZINC000129326862 180358481 /nfs/dbraw/zinc/35/84/81/180358481.db2.gz HQIJOMQWRSTICH-QMMMGPOBSA-N 1 0 239.279 0.786 10 5 BCBERO Cc1nn(C)c(N[C@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000042548127 180359529 /nfs/dbraw/zinc/35/95/29/180359529.db2.gz DPCJZQCYIBVRPG-QMMMGPOBSA-N 1 0 239.279 0.753 10 5 BCBERO CCn1c(C)nc([N+](=O)[O-])c1NC1C[NH2+]C1 ZINC000309344656 323344949 /nfs/dbraw/zinc/34/49/49/323344949.db2.gz YHKWSXAHKDCISZ-UHFFFAOYSA-N 1 0 225.252 0.503 10 5 BCBERO Cc1nn([C@@H]2CC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000051783758 180392341 /nfs/dbraw/zinc/39/23/41/180392341.db2.gz CMZLXNBUDOFZFI-MRVPVSSYSA-N 1 0 210.237 0.943 10 5 BCBERO O=[N+]([O-])c1cnc(NC[C@@H]2COCC[NH2+]2)s1 ZINC000236411271 350735725 /nfs/dbraw/zinc/73/57/25/350735725.db2.gz UTCLOCGIVXQMAR-ZCFIWIBFSA-N 1 0 244.276 0.452 10 5 BCBERO C[C@@H](C[NH3+])N(C)c1ccc([N+](=O)[O-])cn1 ZINC000383021260 351166690 /nfs/dbraw/zinc/16/66/90/351166690.db2.gz QFSZAUPSNOTIIW-ZETCQYMHSA-N 1 0 210.237 0.773 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1N1CCC[NH2+]CC1 ZINC000035663846 180772620 /nfs/dbraw/zinc/77/26/20/180772620.db2.gz JEUZZVYILQSZPM-UHFFFAOYSA-N 1 0 225.252 0.128 10 5 BCBERO O=[N+]([O-])c1ccc([S@](=O)[C@H]2CC[NH2+]C2)nc1 ZINC000095091944 188319254 /nfs/dbraw/zinc/31/92/54/188319254.db2.gz HZLLVAPVEZUZBJ-PWJLMRLQSA-N 1 0 241.272 0.459 10 5 BCBERO NC(=O)CNCc1cc([N+](=O)[O-])c(F)cc1F ZINC000037184004 181235765 /nfs/dbraw/zinc/23/57/65/181235765.db2.gz HSVMEFRSHRIETP-UHFFFAOYSA-N 1 0 245.185 0.448 10 5 BCBERO O=[N+]([O-])c1ccc(NC[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000420250078 192186604 /nfs/dbraw/zinc/18/66/04/192186604.db2.gz JMWKWHNUNGPXIR-LDYMZIIASA-N 1 0 237.259 0.587 10 5 BCBERO O=[N+]([O-])c1ccccc1NC[C@@H]1C[NH2+]C[C@H]1O ZINC000420255216 192188261 /nfs/dbraw/zinc/18/82/61/192188261.db2.gz SMIMBALPWZOQPN-GZMMTYOYSA-N 1 0 237.259 0.587 10 5 BCBERO O=[N+]([O-])c1nn([C@@H]2CC[NH2+]C2)cc1Cl ZINC000069759941 360408075 /nfs/dbraw/zinc/40/80/75/360408075.db2.gz TTZRYHFITUCYRE-RXMQYKEDSA-N 1 0 216.628 0.979 10 5 BCBERO [NH3+]C1CC(NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000037472411 181340145 /nfs/dbraw/zinc/34/01/45/181340145.db2.gz QRWYGWDZZROORA-UHFFFAOYSA-N 1 0 241.272 0.876 10 5 BCBERO [NH3+]C1CC(Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000036268640 181340519 /nfs/dbraw/zinc/34/05/19/181340519.db2.gz QPCFBDAUYVLXFO-UHFFFAOYSA-N 1 0 208.221 0.891 10 5 BCBERO [NH3+]C1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000036753396 181343179 /nfs/dbraw/zinc/34/31/79/181343179.db2.gz GWHVNQFWOSWSFK-UHFFFAOYSA-N 1 0 238.247 0.486 10 5 BCBERO [NH3+]CCC(=O)Nc1ccc(O)cc1[N+](=O)[O-] ZINC000037000652 181369345 /nfs/dbraw/zinc/36/93/45/181369345.db2.gz FPKCLNMHIBVUKX-UHFFFAOYSA-N 1 0 225.204 0.588 10 5 BCBERO C[C@@H](Nc1c([N+](=O)[O-])ncn1C)[C@H](C)[NH3+] ZINC000381734598 367452732 /nfs/dbraw/zinc/45/27/32/367452732.db2.gz LIPBEMSFEANLTN-NTSWFWBYSA-N 1 0 213.241 0.476 10 5 BCBERO [NH3+]C[C@@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000050249836 181435699 /nfs/dbraw/zinc/43/56/99/181435699.db2.gz DUAKKXUGBWPEHK-QMMMGPOBSA-N 1 0 222.248 0.775 10 5 BCBERO [NH3+]C[C@H]1CCN(c2cc([N+](=O)[O-])ccn2)C1 ZINC000050249983 181464738 /nfs/dbraw/zinc/46/47/38/181464738.db2.gz WAZDAQJJRZEMQU-MRVPVSSYSA-N 1 0 222.248 0.775 10 5 BCBERO CCc1nn(C)c(N(C)CCC[NH3+])c1[N+](=O)[O-] ZINC000133833324 372119390 /nfs/dbraw/zinc/11/93/90/372119390.db2.gz AAMPCCHXNRVUEY-UHFFFAOYSA-N 1 0 241.295 0.676 10 5 BCBERO O=[N+]([O-])c1cccnc1[S@](=O)[C@H]1CC[NH2+]C1 ZINC000095091873 182954318 /nfs/dbraw/zinc/95/43/18/182954318.db2.gz HABXRSUEFGTSOY-GYKQLYQFSA-N 1 0 241.272 0.459 10 5 BCBERO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[NH2+]2)nc1 ZINC000053255482 182957615 /nfs/dbraw/zinc/95/76/15/182957615.db2.gz KHDBBKLPCMZTHR-ZETCQYMHSA-N 1 0 223.236 0.549 10 5 BCBERO CCCn1cc([N+](=O)[O-])cc1C(=O)NCC[NH3+] ZINC000037902438 169620288 /nfs/dbraw/zinc/62/02/88/169620288.db2.gz QNPLLPPFFOIFMX-UHFFFAOYSA-N 1 0 240.263 0.495 10 5 BCBERO [NH3+]C[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000050249852 383988442 /nfs/dbraw/zinc/98/84/42/383988442.db2.gz SGURDRJXADFUHS-QMMMGPOBSA-N 1 0 222.248 0.775 10 5 BCBERO COc1ccc([C@@H]([NH3+])CO)cc1[N+](=O)[O-] ZINC000072198161 384810749 /nfs/dbraw/zinc/81/07/49/384810749.db2.gz KYRISUCLLBIUDQ-ZETCQYMHSA-N 1 0 212.205 0.596 10 5 BCBERO CCn1nc(C)c([N+](=O)[O-])c1NCCC[NH3+] ZINC000085022189 385018527 /nfs/dbraw/zinc/01/85/27/385018527.db2.gz URURSCOVIAQOAR-UHFFFAOYSA-N 1 0 227.268 0.880 10 5 BCBERO O=[N+]([O-])c1ccc(NC[C@H]2C[NH2+]CCO2)cc1 ZINC000134268709 388396926 /nfs/dbraw/zinc/39/69/26/388396926.db2.gz WZPADKBCGFXTNS-LLVKDONJSA-N 1 0 237.259 0.995 10 5 BCBERO COC(=O)c1cc(C[NH3+])cc([N+](=O)[O-])c1 ZINC000039084143 388407395 /nfs/dbraw/zinc/40/73/95/388407395.db2.gz WJAFDZGPQAWRHX-UHFFFAOYSA-N 1 0 210.189 0.840 10 5 BCBERO CCn1c(C)nc([N+](=O)[O-])c1N(C)C1C[NH2+]C1 ZINC000261565078 135206773 /nfs/dbraw/zinc/20/67/73/135206773.db2.gz YEMWUHUUQXUGEZ-UHFFFAOYSA-N 1 0 239.279 0.528 10 5 BCBERO CCn1c(C)nc([N+](=O)[O-])c1NCC[NH2+]C ZINC000261570999 135212789 /nfs/dbraw/zinc/21/27/89/135212789.db2.gz HHCIBQBFEDSLBT-UHFFFAOYSA-N 1 0 227.268 0.751 10 5 BCBERO CC(C)([NH3+])CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000261587578 135228340 /nfs/dbraw/zinc/22/83/40/135228340.db2.gz RUCIROCKBYWDMS-UHFFFAOYSA-N 1 0 226.240 0.116 10 5 BCBERO Cc1nc(NC[C@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000420211735 411748093 /nfs/dbraw/zinc/74/80/93/411748093.db2.gz FTANMCWQCZMXGK-SSDOTTSWSA-N 1 0 224.264 1.305 10 5 BCBERO Cc1nc(NCC23CC(C2)C[NH2+]3)ccc1[N+](=O)[O-] ZINC000596027769 411748656 /nfs/dbraw/zinc/74/86/56/411748656.db2.gz XEUHCSJIHOKXNH-UHFFFAOYSA-N 1 0 248.286 1.462 10 5 BCBERO Cc1nc(N[C@@H](C)[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000381619530 411749994 /nfs/dbraw/zinc/74/99/94/411749994.db2.gz RGBOHVLESVHMKV-RQJHMYQMSA-N 1 0 224.264 1.446 10 5 BCBERO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH2+]CC1 ZINC000091554004 172248504 /nfs/dbraw/zinc/24/85/04/172248504.db2.gz DRJYHZNJEHYPAH-UHFFFAOYSA-N 1 0 239.279 0.529 10 5 BCBERO CNC(=O)C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726256 173276916 /nfs/dbraw/zinc/27/69/16/173276916.db2.gz XNADUQRTQKKWMG-UHFFFAOYSA-N 1 0 237.259 0.473 10 5 BCBERO CNC(=O)COc1ccc([N+](=O)[O-])cc1C[NH3+] ZINC000035414567 173279325 /nfs/dbraw/zinc/27/93/25/173279325.db2.gz KVLWPDVAIPLRLS-UHFFFAOYSA-N 1 0 239.231 0.178 10 5 BCBERO C[NH2+]CCN(C)c1ncccc1[N+](=O)[O-] ZINC000069802594 173354557 /nfs/dbraw/zinc/35/45/57/173354557.db2.gz LQSIPHMJPCWIDB-UHFFFAOYSA-N 1 0 210.237 0.645 10 5 BCBERO C[NH2+]CCNc1ccc([N+](=O)[O-])cc1C(N)=O ZINC000054244837 173357174 /nfs/dbraw/zinc/35/71/74/173357174.db2.gz HVZKSOCZLYXWDJ-UHFFFAOYSA-N 1 0 238.247 0.325 10 5 BCBERO C[NH2+]C[C@H](O)COc1cccc(C)c1[N+](=O)[O-] ZINC000035283686 173377038 /nfs/dbraw/zinc/37/70/38/173377038.db2.gz UBWCHPBMYPPCDI-VIFPVBQESA-N 1 0 240.259 0.862 10 5 BCBERO COCC[NH2+]CCNc1ncc([N+](=O)[O-])s1 ZINC000226783880 174334018 /nfs/dbraw/zinc/33/40/18/174334018.db2.gz DHSXBJJLDYOFIN-UHFFFAOYSA-N 1 0 246.292 0.699 10 5 BCBERO COc1cc([C@@H]2C[NH2+]CCN2)ccc1[N+](=O)[O-] ZINC000145676715 175015288 /nfs/dbraw/zinc/01/52/88/175015288.db2.gz SNYAAITXAWGAME-VIFPVBQESA-N 1 0 237.259 0.837 10 5 BCBERO COc1cc([C@H]2C[NH2+]CCN2)ccc1[N+](=O)[O-] ZINC000145676895 175017139 /nfs/dbraw/zinc/01/71/39/175017139.db2.gz SNYAAITXAWGAME-SECBINFHSA-N 1 0 237.259 0.837 10 5 BCBERO COc1cccc(NCC[NH3+])c1[N+](=O)[O-] ZINC000128354559 175278375 /nfs/dbraw/zinc/27/83/75/175278375.db2.gz MEFMUDPUCGXBSB-UHFFFAOYSA-N 1 0 211.221 0.974 10 5 BCBERO C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)C[C@@H]1[NH3+] ZINC000235364449 176319004 /nfs/dbraw/zinc/31/90/04/176319004.db2.gz LAPSJOJEABATDT-APPZFPTMSA-N 1 0 222.248 0.773 10 5 BCBERO C[C@H]1CN(c2ncc([N+](=O)[O-])s2)CC[NH2+]1 ZINC000226766580 177278566 /nfs/dbraw/zinc/27/85/66/177278566.db2.gz FFFRTXPYOABSSV-LURJTMIESA-N 1 0 228.277 0.849 10 5 BCBERO CC[N+](C)(CC)c1nc(OC)nc(OC)n1 ZINC000584659113 488021112 /nfs/dbraw/zinc/02/11/12/488021112.db2.gz XLTSSVIJNWIILG-UHFFFAOYSA-N 1 0 227.288 0.866 10 5 BCBERO C[C@@H]([NH3+])CN(C)c1ccc([N+](=O)[O-])nc1 ZINC000308854886 631694831 /nfs/dbraw/zinc/69/48/31/631694831.db2.gz SOBQDACQZVLQDM-SSDOTTSWSA-N 1 0 210.237 0.773 10 5 BCBERO [NH3+]C[C@@H]1CCCN1c1ccc([N+](=O)[O-])nc1 ZINC000168991013 640835377 /nfs/dbraw/zinc/83/53/77/640835377.db2.gz LNUILHNDJFKBEF-QMMMGPOBSA-N 1 0 222.248 0.917 10 5 BCBERO CN(c1ccc([N+](=O)[O-])nc1)[C@H]1CC[NH2+]C1 ZINC000070897392 643080351 /nfs/dbraw/zinc/08/03/51/643080351.db2.gz PLUJYJLAVFWHGT-VIFPVBQESA-N 1 0 222.248 0.788 10 5 BCBERO CN(c1ccc([N+](=O)[O-])c2nonc21)C1C[NH2+]C1 ZINC000090290638 643147030 /nfs/dbraw/zinc/14/70/30/643147030.db2.gz DUZQIWGCBPBDTQ-UHFFFAOYSA-N 1 0 249.230 0.539 10 5 BCBERO C[NH2+]CCN(c1ncc([N+](=O)[O-])cn1)C(C)C ZINC000720712233 712862382 /nfs/dbraw/zinc/86/23/82/712862382.db2.gz CUEYIPVECXSTFZ-UHFFFAOYSA-N 1 0 239.279 0.819 10 5 BCBERO CCC/C=C/[C@@H](O)[C@H](CO)[N+](C)(C)C ZINC000005819418 717101807 /nfs/dbraw/zinc/10/18/07/717101807.db2.gz HPUYQTKUQJNJQO-IAYMVZNDSA-N 1 0 202.318 0.771 10 5 BCBERO CSCC[C@@H](N)C(=O)OCC[N+](C)(C)C ZINC000217390103 717161390 /nfs/dbraw/zinc/16/13/90/717161390.db2.gz MHKXYKMQSTUWFM-SECBINFHSA-N 1 0 235.373 0.316 10 5 BCBERO [NH3+][C@@H](CO)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000072198574 343069204 /nfs/dbraw/zinc/06/92/04/343069204.db2.gz XWYQTSVMWGTAPR-LURJTMIESA-N 1 0 226.188 0.316 10 5 BCBERO C[NH+]1CCN(c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000144822374 343139346 /nfs/dbraw/zinc/13/93/46/343139346.db2.gz DKBWCIIVNWOREJ-UHFFFAOYSA-N 1 0 236.275 0.929 10 5 BCBERO CCN(CC[NH3+])c1ccc([N+](=O)[O-])cn1 ZINC000165929151 344232476 /nfs/dbraw/zinc/23/24/76/344232476.db2.gz FJWRHGHESALIPZ-UHFFFAOYSA-N 1 0 210.237 0.775 10 5 BCBERO CCN(CC[NH3+])c1ccc([N+](=O)[O-])nc1 ZINC000165927585 344233206 /nfs/dbraw/zinc/23/32/06/344233206.db2.gz CLDFWNSJDKEYNO-UHFFFAOYSA-N 1 0 210.237 0.775 10 5 BCBERO C[C@@H]1[NH2+]CC[C@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000600957102 344408391 /nfs/dbraw/zinc/40/83/91/344408391.db2.gz MNMIRRCFKCMXJI-POYBYMJQSA-N 1 0 223.236 0.547 10 5 BCBERO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](C)[NH3+] ZINC000085022543 344495236 /nfs/dbraw/zinc/49/52/36/344495236.db2.gz NOXNRZBXSTTWKH-ZCFIWIBFSA-N 1 0 227.268 0.879 10 5 BCBERO Cc1nn(C)c(N[C@H](C)[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000381533003 344518195 /nfs/dbraw/zinc/51/81/95/344518195.db2.gz BECUZAUTAXNMJQ-PHDIDXHHSA-N 1 0 227.268 0.784 10 5 BCBERO C[C@H]1C[C@@H]([NH3+])CN1c1c([N+](=O)[O-])ncn1C ZINC000600963124 344868785 /nfs/dbraw/zinc/86/87/85/344868785.db2.gz SPTCACYAEYTTNY-NKWVEPMBSA-N 1 0 225.252 0.254 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1NCC1CC[NH2+]CC1 ZINC000044509217 345097328 /nfs/dbraw/zinc/09/73/28/345097328.db2.gz AIUQOVHAALUGSD-UHFFFAOYSA-N 1 0 239.279 0.740 10 5 BCBERO CCc1nn(C)c(N[C@@H](C)C[NH2+]C)c1[N+](=O)[O-] ZINC000596032835 348427252 /nfs/dbraw/zinc/42/72/52/348427252.db2.gz PAXGXZSBLHXFHU-ZETCQYMHSA-N 1 0 241.295 0.911 10 5 BCBERO COc1nc(OC)nc([N+](C)(C)C(C)C)n1 ZINC000584659283 490180286 /nfs/dbraw/zinc/18/02/86/490180286.db2.gz KVCJRUIPEWVLSY-UHFFFAOYSA-N 1 0 227.288 0.864 10 5 BCBERO Cc1nn(C)c(N[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000052093892 180360235 /nfs/dbraw/zinc/36/02/35/180360235.db2.gz GLJJWBPHAROIRH-SSDOTTSWSA-N 1 0 225.252 0.411 10 5 BCBERO Cc1nn(C)c(N2CC[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC000052783499 180357452 /nfs/dbraw/zinc/35/74/52/180357452.db2.gz YMZUZWGIPPWMAT-ZETCQYMHSA-N 1 0 239.279 0.435 10 5 BCBERO Cc1nn(C2CC[NH+](C)CC2)c(N)c1[N+](=O)[O-] ZINC000043670257 180385534 /nfs/dbraw/zinc/38/55/34/180385534.db2.gz SHZSPNYVOLOBAQ-UHFFFAOYSA-N 1 0 239.279 0.949 10 5 BCBERO [NH3+]CCOCCOc1ccc([N+](=O)[O-])cc1 ZINC000236194553 350731281 /nfs/dbraw/zinc/73/12/81/350731281.db2.gz HMTSRXKSDXRECX-UHFFFAOYSA-N 1 0 226.232 0.949 10 5 BCBERO O=[N+]([O-])c1ccccc1NC[C@H]1COCC[NH2+]1 ZINC000236412228 350736259 /nfs/dbraw/zinc/73/62/59/350736259.db2.gz LLEIUXIANNPWJG-VIFPVBQESA-N 1 0 237.259 0.995 10 5 BCBERO CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@@H](C)C[NH3+] ZINC000382976140 351120401 /nfs/dbraw/zinc/12/04/01/351120401.db2.gz QLYRBCBJMUMRHP-ZETCQYMHSA-N 1 0 241.295 0.903 10 5 BCBERO Cn1ncc([N+](=O)[O-])c1N1CCC[C@@H](C[NH3+])C1 ZINC000091691090 180819762 /nfs/dbraw/zinc/81/97/62/180819762.db2.gz NTEPZRCTBOZEFF-QMMMGPOBSA-N 1 0 239.279 0.503 10 5 BCBERO O=C1CC[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)N1 ZINC000079926631 538111233 /nfs/dbraw/zinc/11/12/33/538111233.db2.gz GGDVFXROTSLHOU-SNVBAGLBSA-N 1 0 249.270 0.963 10 5 BCBERO Cc1ccnc(NC2C[NH2+]C2)c1[N+](=O)[O-] ZINC000085256626 356299986 /nfs/dbraw/zinc/29/99/86/356299986.db2.gz ATMLQOIGVODLKG-UHFFFAOYSA-N 1 0 208.221 0.682 10 5 BCBERO COc1nn([C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000584619411 358285635 /nfs/dbraw/zinc/28/56/35/358285635.db2.gz NIWRFEYTBUDWHS-ZETCQYMHSA-N 1 0 226.236 0.677 10 5 BCBERO O=Cc1ccc(N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000725271304 541339744 /nfs/dbraw/zinc/33/97/44/541339744.db2.gz BQIPWTBWNLVAOS-UHFFFAOYSA-N 1 0 235.243 0.817 10 5 BCBERO [NH3+]CC1(c2cccc([N+](=O)[O-])c2)COC1 ZINC000095768102 181363198 /nfs/dbraw/zinc/36/31/98/181363198.db2.gz IJBMKRMUHMXBAK-UHFFFAOYSA-N 1 0 208.217 0.822 10 5 BCBERO [NH3+]CCNc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000019868766 181396716 /nfs/dbraw/zinc/39/67/16/181396716.db2.gz FMFXAKIEFFICCN-UHFFFAOYSA-N 1 0 239.231 0.737 10 5 BCBERO [NH3+]C[C@@]1(CO)C[C@@H]1c1ccc([N+](=O)[O-])o1 ZINC000070500334 181441027 /nfs/dbraw/zinc/44/10/27/181441027.db2.gz OMPDRTQWXSZFCZ-HZGVNTEJSA-N 1 0 212.205 0.613 10 5 BCBERO C[C@@H]1C[C@@H]([NH3+])CN1c1ncc([N+](=O)[O-])s1 ZINC000600962568 371715994 /nfs/dbraw/zinc/71/59/94/371715994.db2.gz GVDLWQSBNVFTIE-PHDIDXHHSA-N 1 0 228.277 0.977 10 5 BCBERO O=C(CN1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000049836803 181965239 /nfs/dbraw/zinc/96/52/39/181965239.db2.gz KPQNFHNDDSCDOI-UHFFFAOYSA-N 1 0 249.270 0.683 10 5 BCBERO C[NH2+][C@H](C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000054077012 384731526 /nfs/dbraw/zinc/73/15/26/384731526.db2.gz CUWJUKPZWZPJFI-MRVPVSSYSA-N 1 0 237.259 0.819 10 5 BCBERO CCc1nn(C)c(N[C@@H](C)C[NH3+])c1[N+](=O)[O-] ZINC000085021074 385017947 /nfs/dbraw/zinc/01/79/47/385017947.db2.gz URLNVHDBTSJGHZ-LURJTMIESA-N 1 0 227.268 0.650 10 5 BCBERO [NH3+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000036754935 132342496 /nfs/dbraw/zinc/34/24/96/132342496.db2.gz NRCXVWVHZLNPCF-UHFFFAOYSA-N 1 0 222.248 0.917 10 5 BCBERO [NH3+][C@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000041030251 132223983 /nfs/dbraw/zinc/22/39/83/132223983.db2.gz XXNDMIURVJDJFN-QMMMGPOBSA-N 1 0 222.248 0.917 10 5 BCBERO C[C@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[NH2+]1 ZINC000052783366 132228918 /nfs/dbraw/zinc/22/89/18/132228918.db2.gz PKBMHFVXNGEQQF-QMMMGPOBSA-N 1 0 222.248 0.788 10 5 BCBERO [NH3+][C@H]1CCCN(c2cc([N+](=O)[O-])ccn2)C1 ZINC000043568512 132353447 /nfs/dbraw/zinc/35/34/47/132353447.db2.gz NMNNJONTDPUPCV-QMMMGPOBSA-N 1 0 222.248 0.917 10 5 BCBERO C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)CC[NH2+]1 ZINC000052783558 132362431 /nfs/dbraw/zinc/36/24/31/132362431.db2.gz FVBJTVLKJBTECK-SSDOTTSWSA-N 1 0 223.236 0.183 10 5 BCBERO C[NH2+][C@@H](C)CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000261570727 135212843 /nfs/dbraw/zinc/21/28/43/135212843.db2.gz HDQGFOQUBGLPAC-LURJTMIESA-N 1 0 226.236 0.261 10 5 BCBERO CC[NH+](CC)C[C@H](O)Cn1ccnc1[N+](=O)[O-] ZINC000001568549 169788826 /nfs/dbraw/zinc/78/88/26/169788826.db2.gz PUYVBJPMTDIJSY-VIFPVBQESA-N 1 0 242.279 0.494 10 5 BCBERO CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000034938315 170122372 /nfs/dbraw/zinc/12/23/72/170122372.db2.gz MFLVJEULBNHUBZ-VIFPVBQESA-N 1 0 240.259 0.944 10 5 BCBERO Cn1c([N+](=O)[O-])cnc1CN1CC[NH+](C)CC1 ZINC000027642446 173089589 /nfs/dbraw/zinc/08/95/89/173089589.db2.gz QBMDUIXCYDOTRQ-UHFFFAOYSA-N 1 0 239.279 0.076 10 5 BCBERO C[NH2+]CCN(C)c1ccc([N+](=O)[O-])nc1 ZINC000069802637 173353932 /nfs/dbraw/zinc/35/39/32/173353932.db2.gz IAJNJFIGDYWVDG-UHFFFAOYSA-N 1 0 210.237 0.645 10 5 BCBERO C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000019864704 173365630 /nfs/dbraw/zinc/36/56/30/173365630.db2.gz FTDVJDKBXCGIRF-MRVPVSSYSA-N 1 0 226.232 0.554 10 5 BCBERO COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)[NH3+] ZINC000034979596 175018071 /nfs/dbraw/zinc/01/80/71/175018071.db2.gz RYBFQMIJTJEWNG-ZCFIWIBFSA-N 1 0 239.231 0.889 10 5 BCBERO C[C@H]1CN(c2ccc([N+](=O)[O-])cn2)C[C@@H]1[NH3+] ZINC000235669536 177277622 /nfs/dbraw/zinc/27/76/22/177277622.db2.gz LAPSJOJEABATDT-CBAPKCEASA-N 1 0 222.248 0.773 10 5 BCBERO O=[N+]([O-])c1ccc(NC[C@@H]2C[NH2+]CCO2)nc1 ZINC000134270960 490393431 /nfs/dbraw/zinc/39/34/31/490393431.db2.gz LFFJNIXMDUDROJ-VIFPVBQESA-N 1 0 238.247 0.390 10 5 BCBERO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH2+]CC1 ZINC000261555256 535969283 /nfs/dbraw/zinc/96/92/83/535969283.db2.gz PQXSJFKVEBQZFJ-UHFFFAOYSA-N 1 0 239.279 0.529 10 5 BCBERO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](O)CO ZINC000083354416 584889422 /nfs/dbraw/zinc/88/94/22/584889422.db2.gz WDBRQQUZHCLUFK-SECBINFHSA-N 1 0 226.232 0.038 10 5 BCBERO O=[N+]([O-])c1ccc(NC[C@@H]2C[NH2+]CCO2)cn1 ZINC000134272897 591907967 /nfs/dbraw/zinc/90/79/67/591907967.db2.gz KQSYQDMRYZFWSV-VIFPVBQESA-N 1 0 238.247 0.390 10 5 BCBERO CN(CC(C)(C)C[NH3+])c1c([N+](=O)[O-])ncn1C ZINC000093874673 635133225 /nfs/dbraw/zinc/13/32/25/635133225.db2.gz KLLRLOIOBXEZQU-UHFFFAOYSA-N 1 0 241.295 0.749 10 5 BCBERO CN(CC[NH3+])c1ccc([N+](=O)[O-])c2nonc21 ZINC000054419501 636636881 /nfs/dbraw/zinc/63/68/81/636636881.db2.gz NAMKWXVFLFFXFH-UHFFFAOYSA-N 1 0 237.219 0.526 10 5 BCBERO C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)[C@H](C)C[NH2+]1 ZINC000086471302 644465936 /nfs/dbraw/zinc/46/59/36/644465936.db2.gz BTADGJZRFHODKL-HTQZYQBOSA-N 1 0 239.279 0.515 10 5 BCBERO Cn1ncc([N+](=O)[O-])c1N1CCC([NH3+])CC1 ZINC000091691073 644637060 /nfs/dbraw/zinc/63/70/60/644637060.db2.gz YDETXTCSLLZRQY-UHFFFAOYSA-N 1 0 225.252 0.256 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1N[C@@H]1C[NH2+]CC1(C)C ZINC000721864227 710688973 /nfs/dbraw/zinc/68/89/73/710688973.db2.gz VXKKHHNKTSYAOJ-SSDOTTSWSA-N 1 0 239.279 0.738 10 5 BCBERO C[C@@H]1C[NH2+]C[C@H]1Nc1c([N+](=O)[O-])ncn1C ZINC000721984436 711858019 /nfs/dbraw/zinc/85/80/19/711858019.db2.gz POIHWOGUPHGFCS-RNFRBKRXSA-N 1 0 225.252 0.348 10 5 BCBERO C[C@@H]1C[C@@]2(C[C@H](C[N+](C)(C)C)OC2=O)C(=O)O1 ZINC000005735901 717101004 /nfs/dbraw/zinc/10/10/04/717101004.db2.gz KMLDFWXPPAXUIY-KBVBSXBZSA-N 1 0 242.295 0.330 10 5 BCBERO C[N+](C)(C)CCOC(=O)c1cc[n+]([O-])cc1 ZINC000141964763 717152458 /nfs/dbraw/zinc/15/24/58/717152458.db2.gz GSANRWNBYVMKJR-UHFFFAOYSA-N 1 0 225.268 0.183 10 5 BCBERO C[N+](C)(C)c1cccc(OC[C@@H](O)CO)c1 ZINC000001851673 717090759 /nfs/dbraw/zinc/09/07/59/717090759.db2.gz UGYJRTHHGDXODI-NSHDSACASA-N 1 0 226.296 0.615 10 5 BCBERO C[N+]1(C)CCC(CC(=O)N2CCOCC2)CC1 ZINC000005377547 717099218 /nfs/dbraw/zinc/09/92/18/717099218.db2.gz SDLSGCBYJFTVLE-UHFFFAOYSA-N 1 0 241.355 0.722 10 5 BCBERO CCCC(=O)O[C@@H](C)C(=O)OCC[N+](C)(C)C ZINC000033824998 717122058 /nfs/dbraw/zinc/12/20/58/717122058.db2.gz WYDATEOVRNOZSA-JTQLQIEISA-N 1 0 246.327 0.968 10 5 BCBERO CC(C)[C@H]([NH3+])CNc1c([N+](=O)[O-])ncn1C ZINC000112150748 187325558 /nfs/dbraw/zinc/32/55/58/187325558.db2.gz NLLPHXNIERUJNY-SSDOTTSWSA-N 1 0 227.268 0.724 10 5 BCBERO C[C@H]1CC[C@@H](Nc2ncc([N+](=O)[O-])cn2)C[NH2+]1 ZINC000600955655 398212261 /nfs/dbraw/zinc/21/22/61/398212261.db2.gz PKIXEXWNFWDUMU-JGVFFNPUSA-N 1 0 237.263 0.937 10 5 BCBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)C1C[NH2+]C1 ZINC000090289798 178271012 /nfs/dbraw/zinc/27/10/12/178271012.db2.gz NMXKHDUDACYQJE-UHFFFAOYSA-N 1 0 249.270 0.947 10 5 BCBERO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]([NH3+])C1 ZINC000052813053 178273850 /nfs/dbraw/zinc/27/38/50/178273850.db2.gz OVDXGQAGYLPBFY-QMMMGPOBSA-N 1 0 222.248 0.836 10 5 BCBERO CC[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000389200530 343306417 /nfs/dbraw/zinc/30/64/17/343306417.db2.gz YPEJOGTWQOWNIA-MRVPVSSYSA-N 1 0 237.263 0.891 10 5 BCBERO CN(CCOCC[NH3+])c1ncc([N+](=O)[O-])s1 ZINC000600955600 344401397 /nfs/dbraw/zinc/40/13/97/344401397.db2.gz DJUCVQQRZUNAGP-UHFFFAOYSA-N 1 0 246.292 0.463 10 5 BCBERO Cc1nn(C)c(N[C@@H](C)[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000381533005 344518047 /nfs/dbraw/zinc/51/80/47/344518047.db2.gz BECUZAUTAXNMJQ-WDSKDSINSA-N 1 0 227.268 0.784 10 5 BCBERO [NH3+]Cc1cn(CCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000050224520 344659187 /nfs/dbraw/zinc/65/91/87/344659187.db2.gz AURZQECHOZIUQZ-UHFFFAOYSA-N 1 0 247.258 0.888 10 5 BCBERO C[C@@H]1C[C@@H]([NH3+])CN1c1ncccc1[N+](=O)[O-] ZINC000600962943 344854844 /nfs/dbraw/zinc/85/48/44/344854844.db2.gz PNTKSJCELUILKW-HTQZYQBOSA-N 1 0 222.248 0.916 10 5 BCBERO C[C@@H]1C[C@H]([NH3+])CN1c1ncccc1[N+](=O)[O-] ZINC000600962948 344854866 /nfs/dbraw/zinc/85/48/66/344854866.db2.gz PNTKSJCELUILKW-SFYZADRCSA-N 1 0 222.248 0.916 10 5 BCBERO O=[N+]([O-])c1cccnc1NC[C@@H]1COCC[NH2+]1 ZINC000236413726 346238034 /nfs/dbraw/zinc/23/80/34/346238034.db2.gz UUHVKTJWTBLPLG-MRVPVSSYSA-N 1 0 238.247 0.390 10 5 BCBERO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](C)[NH3+] ZINC000309188804 350159588 /nfs/dbraw/zinc/15/95/88/350159588.db2.gz ATUQDAWLIZMJSJ-LURJTMIESA-N 1 0 227.268 0.879 10 5 BCBERO Cc1nn(C)c(N[C@@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000042548125 180360294 /nfs/dbraw/zinc/36/02/94/180360294.db2.gz DPCJZQCYIBVRPG-MRVPVSSYSA-N 1 0 239.279 0.753 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCC[NH2+]C1 ZINC000044502981 180771865 /nfs/dbraw/zinc/77/18/65/180771865.db2.gz IVLHAEOFRBSZNN-MRVPVSSYSA-N 1 0 239.279 0.740 10 5 BCBERO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[NH2+]C2)nc1 ZINC000044502861 352653823 /nfs/dbraw/zinc/65/38/23/352653823.db2.gz JZVDBRUAQMGINB-MRVPVSSYSA-N 1 0 237.263 0.796 10 5 BCBERO NC(=O)CC[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000036747215 181225468 /nfs/dbraw/zinc/22/54/68/181225468.db2.gz KZFMSSLPQRUVQS-UHFFFAOYSA-N 1 0 241.222 0.699 10 5 BCBERO O=[N+]([O-])c1ccccc1NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000420255219 192187836 /nfs/dbraw/zinc/18/78/36/192187836.db2.gz SMIMBALPWZOQPN-KWQFWETISA-N 1 0 237.259 0.587 10 5 BCBERO Cc1ccc([N+](=O)[O-])c(NC2C[NH2+]C2)n1 ZINC000088036550 356430762 /nfs/dbraw/zinc/43/07/62/356430762.db2.gz UURWMPDGSHXDHH-UHFFFAOYSA-N 1 0 208.221 0.682 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1NC[C@H]([NH3+])C1CC1 ZINC000168237929 134160729 /nfs/dbraw/zinc/16/07/29/134160729.db2.gz LGRUAAZMHVOHGJ-ZETCQYMHSA-N 1 0 225.252 0.478 10 5 BCBERO Cc1nn(C)c(NCC[NH2+]C2CC2)c1[N+](=O)[O-] ZINC000054267887 359766105 /nfs/dbraw/zinc/76/61/05/359766105.db2.gz YVNSSGKCGRIWHX-UHFFFAOYSA-N 1 0 239.279 0.801 10 5 BCBERO O=[N+]([O-])c1nn([C@H]2CC[NH2+]C2)cc1Cl ZINC000069759942 360407872 /nfs/dbraw/zinc/40/78/72/360407872.db2.gz TTZRYHFITUCYRE-YFKPBYRVSA-N 1 0 216.628 0.979 10 5 BCBERO [NH3+]C1CC(Nc2cc([N+](=O)[O-])ccn2)C1 ZINC000043568416 181340328 /nfs/dbraw/zinc/34/03/28/181340328.db2.gz SXUGNVGCACNMCB-UHFFFAOYSA-N 1 0 208.221 0.891 10 5 BCBERO [NH3+]CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000037033135 181355961 /nfs/dbraw/zinc/35/59/61/181355961.db2.gz OFVSKGLIGVHALL-UHFFFAOYSA-N 1 0 231.158 0.770 10 5 BCBERO [NH3+]CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000037902484 181392883 /nfs/dbraw/zinc/39/28/83/181392883.db2.gz AVDJVCUOXCJCFH-ZZXKWVIFSA-N 1 0 235.243 0.683 10 5 BCBERO [NH3+]CCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000037870882 181395368 /nfs/dbraw/zinc/39/53/68/181395368.db2.gz AYJCDZGUBKUYNC-UHFFFAOYSA-N 1 0 227.195 0.422 10 5 BCBERO [NH3+]CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000037902481 181395508 /nfs/dbraw/zinc/39/55/08/181395508.db2.gz GHTFXSSVNJDGAQ-UHFFFAOYSA-N 1 0 243.650 0.937 10 5 BCBERO [NH3+]CCNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000037902402 181395531 /nfs/dbraw/zinc/39/55/31/181395531.db2.gz MCGZMECFYLSKJG-UHFFFAOYSA-N 1 0 227.195 0.422 10 5 BCBERO CC(C)[C@@H]([NH3+])CNc1ncc([N+](=O)[O-])cn1 ZINC000070010797 371002553 /nfs/dbraw/zinc/00/25/53/371002553.db2.gz IHCWGVLYUBEYRJ-QMMMGPOBSA-N 1 0 225.252 0.780 10 5 BCBERO O=[N+]([O-])c1ccc2[nH]c(NC3C[NH2+]C3)nc2c1 ZINC000094772246 371232477 /nfs/dbraw/zinc/23/24/77/371232477.db2.gz SZPSVYCSKNTSEM-UHFFFAOYSA-N 1 0 233.231 0.855 10 5 BCBERO C[C@@H]1CC[C@@H](Nc2c([N+](=O)[O-])ncn2C)C[NH2+]1 ZINC000600955083 371713580 /nfs/dbraw/zinc/71/35/80/371713580.db2.gz JULWPEOPSPIWMA-HTQZYQBOSA-N 1 0 239.279 0.881 10 5 BCBERO CCN(CC[NH3+])c1ncc([N+](=O)[O-])s1 ZINC000226766727 371739562 /nfs/dbraw/zinc/73/95/62/371739562.db2.gz GFXJKMVOSMJZKJ-UHFFFAOYSA-N 1 0 216.266 0.836 10 5 BCBERO CN(CCC[NH3+])c1ccc([N+](=O)[O-])cn1 ZINC000227749618 371929212 /nfs/dbraw/zinc/92/92/12/371929212.db2.gz FENCSONGKYSJMN-UHFFFAOYSA-N 1 0 210.237 0.775 10 5 BCBERO O=C(NC[C@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000133651200 182242392 /nfs/dbraw/zinc/24/23/92/182242392.db2.gz OYOVKSPRKLANRG-ZETCQYMHSA-N 1 0 238.247 0.262 10 5 BCBERO O=[N+]([O-])c1cnc(NC[C@H]2CCC[NH2+]2)nc1 ZINC000053255484 182958774 /nfs/dbraw/zinc/95/87/74/182958774.db2.gz KHDBBKLPCMZTHR-SSDOTTSWSA-N 1 0 223.236 0.549 10 5 BCBERO C[C@@H](CC[NH3+])Nc1c([N+](=O)[O-])ncn1C ZINC000336665501 384250377 /nfs/dbraw/zinc/25/03/77/384250377.db2.gz DJZNCECNVCBKQX-LURJTMIESA-N 1 0 213.241 0.478 10 5 BCBERO C[N+]1(c2nc(N)nc3[nH]cnc32)CCCC1 ZINC000022048888 384727569 /nfs/dbraw/zinc/72/75/69/384727569.db2.gz PRCLSRPHADVGIE-UHFFFAOYSA-N 1 0 219.272 0.666 10 5 in-vitro BCBERO [NH3+]CCc1nnc(-c2ccccc2[N+](=O)[O-])[nH]1 ZINC000072236539 384840688 /nfs/dbraw/zinc/84/06/88/384840688.db2.gz MQOCIOYBXDKMJC-UHFFFAOYSA-N 1 0 233.231 0.881 10 5 BCBERO C[NH2+][C@H](C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000054074473 388022824 /nfs/dbraw/zinc/02/28/24/388022824.db2.gz SELHGIWSGZXFSB-MRVPVSSYSA-N 1 0 237.259 0.819 10 5 BCBERO COCC[NH2+]CCNc1ccc([N+](=O)[O-])nc1 ZINC000215529383 388555535 /nfs/dbraw/zinc/55/55/35/388555535.db2.gz WJGCDIJXJALGKW-UHFFFAOYSA-N 1 0 240.263 0.638 10 5 BCBERO [NH3+]C[C@@H]1CCCN1c1ccc([N+](=O)[O-])cn1 ZINC000095072585 388757659 /nfs/dbraw/zinc/75/76/59/388757659.db2.gz ZTKRTFVMUZCTRO-QMMMGPOBSA-N 1 0 222.248 0.917 10 5 BCBERO [NH3+]C1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000036754945 132342494 /nfs/dbraw/zinc/34/24/94/132342494.db2.gz RFCDEYDYQLRIAH-UHFFFAOYSA-N 1 0 222.248 0.917 10 5 BCBERO [NH3+][C@H]1CCCN(c2ccncc2[N+](=O)[O-])C1 ZINC000041030237 132349180 /nfs/dbraw/zinc/34/91/80/132349180.db2.gz JCZLXIODSRQUEA-QMMMGPOBSA-N 1 0 222.248 0.917 10 5 BCBERO O=Cc1cc(N2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000039429327 132354077 /nfs/dbraw/zinc/35/40/77/132354077.db2.gz ZUECNOPOSZYFTM-UHFFFAOYSA-N 1 0 235.243 0.817 10 5 BCBERO O=[N+]([O-])c1cnc(NCC2CC[NH2+]CC2)nc1 ZINC000044509188 322841280 /nfs/dbraw/zinc/84/12/80/322841280.db2.gz WRCYRZLDTNMSFM-UHFFFAOYSA-N 1 0 237.263 0.796 10 5 BCBERO C[C@@H]1CN(c2ncccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000261533356 135164869 /nfs/dbraw/zinc/16/48/69/135164869.db2.gz HEZRYAPVJWBLAR-HTQZYQBOSA-N 1 0 222.248 0.773 10 5 BCBERO C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)C[C@H]1[NH3+] ZINC000261533391 135165312 /nfs/dbraw/zinc/16/53/12/135165312.db2.gz HTPIRXOKGKVELZ-VXNVDRBHSA-N 1 0 222.248 0.773 10 5 BCBERO O=C(NCCc1ccccc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000263335622 135347318 /nfs/dbraw/zinc/34/73/18/135347318.db2.gz WDKJDNUUAZRKGF-UHFFFAOYSA-N 1 0 249.270 0.473 10 5 BCBERO CC[NH2+][C@H](C)CNc1ccc([N+](=O)[O-])cn1 ZINC000395770841 410213213 /nfs/dbraw/zinc/21/32/13/410213213.db2.gz PDROSYIPTRKOLA-MRVPVSSYSA-N 1 0 224.264 1.400 10 5 BCBERO CO[C@H](C[NH3+])Cn1cc([N+](=O)[O-])nc1Cl ZINC000102286102 410831285 /nfs/dbraw/zinc/83/12/85/410831285.db2.gz CTSFSRWPPTZITJ-RXMQYKEDSA-N 1 0 234.643 0.418 10 5 BCBERO CO[C@@H](C[NH3+])Cn1cc([N+](=O)[O-])nc1Cl ZINC000102286100 410831365 /nfs/dbraw/zinc/83/13/65/410831365.db2.gz CTSFSRWPPTZITJ-YFKPBYRVSA-N 1 0 234.643 0.418 10 5 BCBERO CC[NH2+][C@H](C)CNc1ncc([N+](=O)[O-])cn1 ZINC000387474404 411372778 /nfs/dbraw/zinc/37/27/78/411372778.db2.gz UFAPEZIHUCGPOH-SSDOTTSWSA-N 1 0 225.252 0.795 10 5 BCBERO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC[NH2+]C1 ZINC000091557207 172248736 /nfs/dbraw/zinc/24/87/36/172248736.db2.gz VNJFQNMLDRUOKY-MRVPVSSYSA-N 1 0 239.279 0.893 10 5 BCBERO CN(C(=O)c1cccc([N+](=O)[O-])c1)C1C[NH2+]C1 ZINC000090289784 172341945 /nfs/dbraw/zinc/34/19/45/172341945.db2.gz CXDZKLBYELLIGV-UHFFFAOYSA-N 1 0 235.243 0.639 10 5 BCBERO C[NH+](C)[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000003304832 172534361 /nfs/dbraw/zinc/53/43/61/172534361.db2.gz WKFXOUSFZMOKOH-MNOVXSKESA-N 1 0 240.259 0.551 10 5 BCBERO C[NH2+]CCN(C)c1c([N+](=O)[O-])c(C)nn1C ZINC000069802590 173353868 /nfs/dbraw/zinc/35/38/68/173353868.db2.gz LEWKFAUGFGABIZ-UHFFFAOYSA-N 1 0 227.268 0.292 10 5 BCBERO C[NH2+]C[C@H](O)COc1cc(F)ccc1[N+](=O)[O-] ZINC000019864784 173376807 /nfs/dbraw/zinc/37/68/07/173376807.db2.gz QSYHOZIVEYGUQN-QMMMGPOBSA-N 1 0 244.222 0.693 10 5 BCBERO C[NH2+]Cc1cc([N+](=O)[O-])ccc1OCC(N)=O ZINC000035414643 173387482 /nfs/dbraw/zinc/38/74/82/173387482.db2.gz DLIYOSDACVPHSO-UHFFFAOYSA-N 1 0 239.231 0.178 10 5 BCBERO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[NH2+]C1 ZINC000261566198 535971775 /nfs/dbraw/zinc/97/17/75/535971775.db2.gz YTZMSRUAEXZMDZ-QMMMGPOBSA-N 1 0 239.279 0.893 10 5 BCBERO C[NH2+][C@H](C)CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000261570728 536400363 /nfs/dbraw/zinc/40/03/63/536400363.db2.gz HDQGFOQUBGLPAC-ZCFIWIBFSA-N 1 0 226.236 0.261 10 5 BCBERO O=[N+]([O-])c1cnc(NCC[C@@H]2CC[NH2+]C2)nc1 ZINC000110798751 588696254 /nfs/dbraw/zinc/69/62/54/588696254.db2.gz PQZQEWMPZTYTKM-QMMMGPOBSA-N 1 0 237.263 0.796 10 5 BCBERO C[C@H]1CN(c2c([N+](=O)[O-])ncn2C)[C@@H](C)C[NH2+]1 ZINC000086471305 644141188 /nfs/dbraw/zinc/14/11/88/644141188.db2.gz BTADGJZRFHODKL-YUMQZZPRSA-N 1 0 239.279 0.515 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1N[C@H]1C[NH2+]CC1(C)C ZINC000721864228 710689192 /nfs/dbraw/zinc/68/91/92/710689192.db2.gz VXKKHHNKTSYAOJ-ZETCQYMHSA-N 1 0 239.279 0.738 10 5 BCBERO [NH3+]CC[C@H]1CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000723671640 711533365 /nfs/dbraw/zinc/53/33/65/711533365.db2.gz DWWJRLSLRRVEDI-QMMMGPOBSA-N 1 0 237.263 0.560 10 5 BCBERO Cc1nn(C)c(NC[C@H]2C[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000715095504 712508331 /nfs/dbraw/zinc/50/83/31/712508331.db2.gz DXLLJLTZWYDMJD-ZKCHVHJHSA-N 1 0 239.279 0.786 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1N1C[C@H]([NH3+])C(C)(C)C1 ZINC000720829222 712869006 /nfs/dbraw/zinc/86/90/06/712869006.db2.gz WDECTVIWFPEGSY-ZETCQYMHSA-N 1 0 239.279 0.502 10 5 BCBERO C[N+](C)(C)CCOCN1CCCC1=O ZINC000002038128 717094780 /nfs/dbraw/zinc/09/47/80/717094780.db2.gz QISFYLSEKIOUQG-UHFFFAOYSA-N 1 0 201.290 0.289 10 5 BCBERO CCCCCC[C@@H](O)C[N+](C)(CCO)CCO ZINC000038648271 717126097 /nfs/dbraw/zinc/12/60/97/717126097.db2.gz HRLHBMBAJYJZGB-CYBMUJFWSA-N 1 0 248.387 0.749 10 5 BCBERO C[C@H](C[C@H](C)[NH3+])Nc1c([N+](=O)[O-])ncn1C ZINC000320586475 342734820 /nfs/dbraw/zinc/73/48/20/342734820.db2.gz VAJUALNQAZOLHW-NKWVEPMBSA-N 1 0 227.268 0.866 10 5 BCBERO O=[N+]([O-])c1ccccc1NC[C@@H]1C[NH2+]CCO1 ZINC000123309829 398301552 /nfs/dbraw/zinc/30/15/52/398301552.db2.gz CHWMBHUQOHEYSN-VIFPVBQESA-N 1 0 237.259 0.995 10 5 BCBERO COc1cc(NC2C[NH2+]C2)ccc1[N+](=O)[O-] ZINC000085256761 344203840 /nfs/dbraw/zinc/20/38/40/344203840.db2.gz JNLWBUDBOMHMCB-UHFFFAOYSA-N 1 0 223.232 0.987 10 5 BCBERO CCOc1ncc([N+](=O)[O-])cc1C(N)=[NH2+] ZINC000039099727 344800746 /nfs/dbraw/zinc/80/07/46/344800746.db2.gz QNMYNFXQEKVULG-UHFFFAOYSA-N 1 0 210.193 0.673 10 5 BCBERO [NH3+]C1CN(Cc2ccc([N+](=O)[O-])s2)C1 ZINC000236171381 346205234 /nfs/dbraw/zinc/20/52/34/346205234.db2.gz VEGOIVDWVOEVGM-UHFFFAOYSA-N 1 0 213.262 0.799 10 5 BCBERO C[C@@H]([NH3+])[C@@H](C)Nc1ncc([N+](=O)[O-])cn1 ZINC000381800807 346442063 /nfs/dbraw/zinc/44/20/63/346442063.db2.gz UFNPNMCVCJWVQE-PHDIDXHHSA-N 1 0 211.225 0.532 10 5 BCBERO CN(CC(C)(C)[NH3+])c1c([N+](=O)[O-])ncn1C ZINC000594693749 348099877 /nfs/dbraw/zinc/09/98/77/348099877.db2.gz STWBQPMAUCDQOV-UHFFFAOYSA-N 1 0 227.268 0.502 10 5 BCBERO Cc1ccc(C[NH2+][C@@H]2CCNC2=O)cc1[N+](=O)[O-] ZINC000594967739 348161341 /nfs/dbraw/zinc/16/13/41/348161341.db2.gz VCYCMEOFKBPHPB-SNVBAGLBSA-N 1 0 249.270 0.881 10 5 BCBERO C[NH2+]C[C@H](C)N=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000596032925 348427385 /nfs/dbraw/zinc/42/73/85/348427385.db2.gz PXWFHDKDQHQFGM-ZETCQYMHSA-N 1 0 249.274 0.913 10 5 BCBERO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H]([NH3+])C1 ZINC000050243674 180175083 /nfs/dbraw/zinc/17/50/83/180175083.db2.gz AWPNYXFHNQKCMC-VIFPVBQESA-N 1 0 239.279 0.133 10 5 BCBERO Cn1c(CSC(N)=[NH2+])ncc1[N+](=O)[O-] ZINC000255965353 180625316 /nfs/dbraw/zinc/62/53/16/180625316.db2.gz BRXPFKNILUZRLB-UHFFFAOYSA-N 1 0 215.238 0.455 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1NC1CC([NH3+])C1 ZINC000036268768 180772539 /nfs/dbraw/zinc/77/25/39/180772539.db2.gz LANSBFKGOOPVDR-UHFFFAOYSA-N 1 0 211.225 0.230 10 5 BCBERO Cc1nn(C)c(NC[C@@H](C)C[NH3+])c1[N+](=O)[O-] ZINC000420222348 192176856 /nfs/dbraw/zinc/17/68/56/192176856.db2.gz WIDAKCALEDNATA-LURJTMIESA-N 1 0 227.268 0.643 10 5 BCBERO C[C@@H](C[NH3+])CNc1ccc([N+](=O)[O-])nc1 ZINC000420215254 192177449 /nfs/dbraw/zinc/17/74/49/192177449.db2.gz KNQQRXWRIFWQKC-ZETCQYMHSA-N 1 0 210.237 0.997 10 5 BCBERO C[C@H](C[NH3+])CNc1ncccc1[N+](=O)[O-] ZINC000420222285 192177668 /nfs/dbraw/zinc/17/76/68/192177668.db2.gz WGOICXSRQYFOGK-SSDOTTSWSA-N 1 0 210.237 0.997 10 5 BCBERO O=[N+]([O-])c1cccc([C@@H]2[NH2+]CC[C@@H]2O)c1 ZINC000536952926 323959664 /nfs/dbraw/zinc/95/96/64/323959664.db2.gz INORMRZMNYYLTM-UWVGGRQHSA-N 1 0 208.217 0.990 10 5 BCBERO O=C(NC[C@@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000133650998 188156048 /nfs/dbraw/zinc/15/60/48/188156048.db2.gz OYOVKSPRKLANRG-SSDOTTSWSA-N 1 0 238.247 0.262 10 5 BCBERO COc1cccc(NC2C[NH2+]C2)c1[N+](=O)[O-] ZINC000129718098 355935388 /nfs/dbraw/zinc/93/53/88/355935388.db2.gz KOJJGZLBTMDYPX-UHFFFAOYSA-N 1 0 223.232 0.987 10 5 BCBERO COC(=O)c1cc(C[NH3+])ccc1[N+](=O)[O-] ZINC000039084072 358214775 /nfs/dbraw/zinc/21/47/75/358214775.db2.gz RTKAYYOCNUMMDS-UHFFFAOYSA-N 1 0 210.189 0.840 10 5 BCBERO [NH3+]C1(CNc2ncc([N+](=O)[O-])cn2)CCC1 ZINC000236198925 181333102 /nfs/dbraw/zinc/33/31/02/181333102.db2.gz OSMGIAGLXXMSOW-UHFFFAOYSA-N 1 0 223.236 0.678 10 5 BCBERO [NH3+]C1CC(Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000036268751 181340199 /nfs/dbraw/zinc/34/01/99/181340199.db2.gz GQIUEYPXQKRLBV-UHFFFAOYSA-N 1 0 208.221 0.891 10 5 BCBERO [NH3+]CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000037902475 181393414 /nfs/dbraw/zinc/39/34/14/181393414.db2.gz KPNUSQICRFFMGK-AATRIKPKSA-N 1 0 235.243 0.683 10 5 BCBERO [NH3+]CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000037902509 181394467 /nfs/dbraw/zinc/39/44/67/181394467.db2.gz MHQZRUGXORWWNU-UHFFFAOYSA-N 1 0 224.220 0.675 10 5 BCBERO [NH3+]C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000122300924 181430782 /nfs/dbraw/zinc/43/07/82/181430782.db2.gz NTXHIHKYKXAFEU-ZETCQYMHSA-N 1 0 238.247 0.486 10 5 BCBERO C[NH+](C)CCOc1ccc([N+](=O)[O-])nc1 ZINC000168247809 368395927 /nfs/dbraw/zinc/39/59/27/368395927.db2.gz IEGMEDVUGXKOOH-UHFFFAOYSA-N 1 0 211.221 0.930 10 5 BCBERO [NH3+]C[C@H]1CCCN1c1ncccc1[N+](=O)[O-] ZINC000095072592 181461127 /nfs/dbraw/zinc/46/11/27/181461127.db2.gz ITBKSVDPLUQZLH-MRVPVSSYSA-N 1 0 222.248 0.917 10 5 BCBERO [NH3+][C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000035679920 181571730 /nfs/dbraw/zinc/57/17/30/181571730.db2.gz IUTWNTDQBOHQCO-SSDOTTSWSA-N 1 0 221.216 0.659 10 5 BCBERO C[C@@H]1C[C@H]([NH3+])CN1c1ccc([N+](=O)[O-])cn1 ZINC000600962147 371718375 /nfs/dbraw/zinc/71/83/75/371718375.db2.gz AHXWHCNNYLHRCQ-SFYZADRCSA-N 1 0 222.248 0.916 10 5 BCBERO CN(CCC[NH3+])c1ccc([N+](=O)[O-])nc1 ZINC000227750297 371928667 /nfs/dbraw/zinc/92/86/67/371928667.db2.gz ATOUJQPQEQKGGV-UHFFFAOYSA-N 1 0 210.237 0.775 10 5 BCBERO O=C(NCc1ccccc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000091410073 182258819 /nfs/dbraw/zinc/25/88/19/182258819.db2.gz MPHZBJHLJLBJHP-UHFFFAOYSA-N 1 0 235.243 0.430 10 5 BCBERO C[C@@H](C[NH3+])CNc1ccc([N+](=O)[O-])cn1 ZINC000260291111 384209410 /nfs/dbraw/zinc/20/94/10/384209410.db2.gz YJWTVGINXLTZKC-ZETCQYMHSA-N 1 0 210.237 0.997 10 5 BCBERO O=[N+]([O-])c1cnc(N[C@H]2CCC[NH2+]C2)nc1 ZINC000070950197 384480519 /nfs/dbraw/zinc/48/05/19/384480519.db2.gz GYBDWQHCDSQYBT-ZETCQYMHSA-N 1 0 223.236 0.549 10 5 BCBERO CC[C@@H]([NH3+])CNc1c([N+](=O)[O-])ncn1C ZINC000111198140 384561540 /nfs/dbraw/zinc/56/15/40/384561540.db2.gz CWNGTWNQKLEOJT-ZCFIWIBFSA-N 1 0 213.241 0.478 10 5 BCBERO O=[N+]([O-])c1cccc([C@H]2[NH2+]CC[C@H]2O)c1 ZINC000536952923 384804963 /nfs/dbraw/zinc/80/49/63/384804963.db2.gz INORMRZMNYYLTM-NXEZZACHSA-N 1 0 208.217 0.990 10 5 BCBERO [NH3+][C@@H](CO)c1ccc(F)cc1[N+](=O)[O-] ZINC000072197883 384810530 /nfs/dbraw/zinc/81/05/30/384810530.db2.gz PUVWXTWSGSIGNW-ZETCQYMHSA-N 1 0 200.169 0.726 10 5 BCBERO [NH3+][C@H](CO)c1cc([N+](=O)[O-])ccc1F ZINC000072197874 384811561 /nfs/dbraw/zinc/81/15/61/384811561.db2.gz OOGBDIWUZZXMDT-MRVPVSSYSA-N 1 0 200.169 0.726 10 5 BCBERO O=[N+]([O-])c1cccnc1OC[C@@H]1CC[NH2+]C1 ZINC000051888676 386564555 /nfs/dbraw/zinc/56/45/55/386564555.db2.gz TXAYRNYFTAVKFQ-MRVPVSSYSA-N 1 0 223.232 0.978 10 5 BCBERO COCC[NH2+]CCNc1ncccc1[N+](=O)[O-] ZINC000215509442 388839359 /nfs/dbraw/zinc/83/93/59/388839359.db2.gz IIKQXTCLRYWQLR-UHFFFAOYSA-N 1 0 240.263 0.638 10 5 BCBERO [NH3+][C@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000040434941 132347586 /nfs/dbraw/zinc/34/75/86/132347586.db2.gz OSEZKOVCHCXLSY-QMMMGPOBSA-N 1 0 222.248 0.917 10 5 BCBERO [NH3+][C@@H]1CCCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000041030344 132349183 /nfs/dbraw/zinc/34/91/83/132349183.db2.gz BGNYATDOHBWLRZ-SSDOTTSWSA-N 1 0 223.236 0.312 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1NC[C@@H]([NH3+])C1CC1 ZINC000168238030 134160813 /nfs/dbraw/zinc/16/08/13/134160813.db2.gz LGRUAAZMHVOHGJ-SSDOTTSWSA-N 1 0 225.252 0.478 10 5 BCBERO C[C@@H]1[C@@H]([NH3+])CCN1c1ncccc1[N+](=O)[O-] ZINC000261598995 135237075 /nfs/dbraw/zinc/23/70/75/135237075.db2.gz ZQVMJRKFFTWKCZ-SFYZADRCSA-N 1 0 222.248 0.916 10 5 BCBERO CCn1c(C)nc([N+](=O)[O-])c1N(C)CC[NH2+]C ZINC000261547300 135240338 /nfs/dbraw/zinc/24/03/38/135240338.db2.gz HXXGMDQCZQMTSG-UHFFFAOYSA-N 1 0 241.295 0.775 10 5 BCBERO CC(C)[C@H]([NH3+])CCNc1ncc([N+](=O)[O-])cn1 ZINC000596030350 412315100 /nfs/dbraw/zinc/31/51/00/412315100.db2.gz UZHDAQQKYZHZIW-SECBINFHSA-N 1 0 239.279 1.170 10 5 BCBERO C[NH2+]CCOCCNc1ncc([N+](=O)[O-])s1 ZINC000600951931 412291808 /nfs/dbraw/zinc/29/18/08/412291808.db2.gz PCWOORXXHDZYJX-UHFFFAOYSA-N 1 0 246.292 0.699 10 5 BCBERO C[NH2+]CCOCCNc1ccc([N+](=O)[O-])cn1 ZINC000600951079 412292395 /nfs/dbraw/zinc/29/23/95/412292395.db2.gz GKIXJYNXVYSYGR-UHFFFAOYSA-N 1 0 240.263 0.638 10 5 BCBERO CCc1nn(C)c(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000091560405 172039606 /nfs/dbraw/zinc/03/96/06/172039606.db2.gz URFUOWQLDRTFAR-UHFFFAOYSA-N 1 0 239.279 0.300 10 5 BCBERO CCn1c(C)nc([N+](=O)[O-])c1NCCC[NH3+] ZINC000309326921 172137339 /nfs/dbraw/zinc/13/73/39/172137339.db2.gz RFAAAIPQMQOWIZ-UHFFFAOYSA-N 1 0 227.268 0.880 10 5 BCBERO CN(C(=O)c1ccc([N+](=O)[O-])cc1)C1C[NH2+]C1 ZINC000090289772 172341083 /nfs/dbraw/zinc/34/10/83/172341083.db2.gz IWKNSDZEPJIWAQ-UHFFFAOYSA-N 1 0 235.243 0.639 10 5 BCBERO C[NH2+]CCN(C)c1ccc([N+](=O)[O-])c(C)n1 ZINC000123637086 173353379 /nfs/dbraw/zinc/35/33/79/173353379.db2.gz HFIXVWAVMZFQKP-UHFFFAOYSA-N 1 0 224.264 0.954 10 5 BCBERO C[NH2+]CCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000054244832 173356972 /nfs/dbraw/zinc/35/69/72/173356972.db2.gz NYMDVRQDARBMOB-UHFFFAOYSA-N 1 0 238.247 0.325 10 5 BCBERO COc1ccc(-n2cc(C[NH3+])nn2)cc1[N+](=O)[O-] ZINC000062241406 175043998 /nfs/dbraw/zinc/04/39/98/175043998.db2.gz QOENAMDVTSRXPM-UHFFFAOYSA-N 1 0 249.230 0.643 10 5 BCBERO COc1ccc(NC(=O)[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000035018740 175144706 /nfs/dbraw/zinc/14/47/06/175144706.db2.gz ODWNMXRUBMHDEE-ZCFIWIBFSA-N 1 0 239.231 0.889 10 5 BCBERO C[C@H]([NH3+])C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000040456496 176746389 /nfs/dbraw/zinc/74/63/89/176746389.db2.gz XOJPADNAABHYGC-ZETCQYMHSA-N 1 0 223.232 0.905 10 5 BCBERO C[C@H]([NH3+])CCNc1c([N+](=O)[O-])ncn1C ZINC000109139786 176760011 /nfs/dbraw/zinc/76/00/11/176760011.db2.gz VKSHXIGQMSASPW-LURJTMIESA-N 1 0 213.241 0.478 10 5 BCBERO C[NH2+][C@@H](C)CNc1c([N+](=O)[O-])ncn1C ZINC000261534919 536344439 /nfs/dbraw/zinc/34/44/39/536344439.db2.gz NKKUZJYXWCAJIM-LURJTMIESA-N 1 0 213.241 0.348 10 5 BCBERO C[C@@H]([NH3+])CNc1ccc([N+](=O)[O-])c2nonc21 ZINC000111302563 588741685 /nfs/dbraw/zinc/74/16/85/588741685.db2.gz CFZPRCKOMQEIMX-RXMQYKEDSA-N 1 0 237.219 0.890 10 5 BCBERO C[C@@H]([NH3+])CN(C)c1ncc([N+](=O)[O-])cn1 ZINC000309046315 631824047 /nfs/dbraw/zinc/82/40/47/631824047.db2.gz NJGVCZZQSDAHAQ-ZCFIWIBFSA-N 1 0 211.225 0.168 10 5 BCBERO C[C@@H]([NH3+])CN(C)c1c([N+](=O)[O-])ncn1C ZINC000309062365 631830644 /nfs/dbraw/zinc/83/06/44/631830644.db2.gz WUBSLLATLQHQPK-ZCFIWIBFSA-N 1 0 213.241 0.112 10 5 BCBERO C[NH+](C)[C@@H]1CCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000170842657 642697015 /nfs/dbraw/zinc/69/70/15/642697015.db2.gz BBKRSRSGTSEVLC-SECBINFHSA-N 1 0 239.279 0.385 10 5 BCBERO C[C@H]1CN(c2ncc([N+](=O)[O-])cn2)[C@@H](C)C[NH2+]1 ZINC000086471339 644141054 /nfs/dbraw/zinc/14/10/54/644141054.db2.gz BHKUEZYUJJIUBL-YUMQZZPRSA-N 1 0 237.263 0.571 10 5 BCBERO [NH3+]C[C@H]1CCC[C@@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000089092347 644534301 /nfs/dbraw/zinc/53/43/01/644534301.db2.gz XCERGFLYNMWYER-APPZFPTMSA-N 1 0 237.263 0.924 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1N1CC[C@H](CC[NH3+])C1 ZINC000723673097 711533469 /nfs/dbraw/zinc/53/34/69/711533469.db2.gz WLTHPIMNOBPBMG-QMMMGPOBSA-N 1 0 239.279 0.503 10 5 BCBERO C[C@@H]1C[NH2+]C[C@H]1CNc1c([N+](=O)[O-])ncn1C ZINC000723790302 711537265 /nfs/dbraw/zinc/53/72/65/711537265.db2.gz VYQSTXVVSIXZKC-SFYZADRCSA-N 1 0 239.279 0.596 10 5 BCBERO Cc1nn(C)c(NC[C@H]2C[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000715085182 712507677 /nfs/dbraw/zinc/50/76/77/712507677.db2.gz DXLLJLTZWYDMJD-OCAPTIKFSA-N 1 0 239.279 0.786 10 5 BCBERO Cc1nn(C)c(NCC2CC([NH3+])C2)c1[N+](=O)[O-] ZINC000715095689 712508385 /nfs/dbraw/zinc/50/83/85/712508385.db2.gz DXLLJLTZWYDMJD-UHFFFAOYSA-N 1 0 239.279 0.786 10 5 BCBERO CCCCCC[C@H](O)C[N+](C)(C)C[C@H](O)CO ZINC000038647495 717126094 /nfs/dbraw/zinc/12/60/94/717126094.db2.gz RLBHXEXHWOZGKV-STQMWFEESA-N 1 0 248.387 0.747 10 5 BCBERO C#CC[N+]1(C)CCN(C(=O)OCC)CC1 ZINC000033883470 717122875 /nfs/dbraw/zinc/12/28/75/717122875.db2.gz VKFOVYSKTIDEFD-UHFFFAOYSA-N 1 0 211.285 0.538 10 5 BCBERO C[NH2+]CCNc1ncc([N+](=O)[O-])s1 ZINC000005371651 136215068 /nfs/dbraw/zinc/21/50/68/136215068.db2.gz VWASSOVNZADFJC-UHFFFAOYSA-N 1 0 202.239 0.683 10 5 BCBERO CCc1nn(C)c(NC[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000085021071 344495163 /nfs/dbraw/zinc/49/51/63/344495163.db2.gz XAOKDBUKQGOUQH-ZCFIWIBFSA-N 1 0 227.268 0.650 10 5 BCBERO C[C@@H]1C[C@@H]([NH3+])CN1c1ncc([N+](=O)[O-])cn1 ZINC000230538894 344729186 /nfs/dbraw/zinc/72/91/86/344729186.db2.gz VODSCXBSAJUJLY-RNFRBKRXSA-N 1 0 223.236 0.311 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000382438748 346182276 /nfs/dbraw/zinc/18/22/76/346182276.db2.gz YIBUALXRKZLXCX-HTQZYQBOSA-N 1 0 239.279 0.868 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1N[C@H]1CC[C@H](C[NH3+])C1 ZINC000382438751 346182577 /nfs/dbraw/zinc/18/25/77/346182577.db2.gz YIBUALXRKZLXCX-YUMQZZPRSA-N 1 0 239.279 0.868 10 5 BCBERO C[C@@H]([NH3+])CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000111302516 347415656 /nfs/dbraw/zinc/41/56/56/347415656.db2.gz CVWKXZRZFIRKEP-ZCFIWIBFSA-N 1 0 238.247 0.453 10 5 BCBERO C[NH2+]C[C@H](C)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000596031761 348427372 /nfs/dbraw/zinc/42/73/72/348427372.db2.gz FMUYCMOCRMKVJB-LURJTMIESA-N 1 0 227.268 0.657 10 5 BCBERO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](C)[NH3+] ZINC000309188805 350159631 /nfs/dbraw/zinc/15/96/31/350159631.db2.gz ATUQDAWLIZMJSJ-ZCFIWIBFSA-N 1 0 227.268 0.879 10 5 BCBERO Cc1nn(C)c(O[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000051868394 180359775 /nfs/dbraw/zinc/35/97/75/180359775.db2.gz SYZGXFBFPJRTOJ-SSDOTTSWSA-N 1 0 226.236 0.377 10 5 BCBERO C[C@@H](C[NH3+])N(C)c1ccc([N+](=O)[O-])nc1 ZINC000383023674 351166427 /nfs/dbraw/zinc/16/64/27/351166427.db2.gz VBISTDSKXPTRJN-ZETCQYMHSA-N 1 0 210.237 0.773 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H]([NH3+])C1 ZINC000041030278 180771978 /nfs/dbraw/zinc/77/19/78/180771978.db2.gz LRQLCLPPTJNKII-SSDOTTSWSA-N 1 0 225.252 0.256 10 5 BCBERO O=[N+]([O-])c1cccc([C@H]2[NH2+]CC[C@@H]2O)c1 ZINC000536952927 323959655 /nfs/dbraw/zinc/95/96/55/323959655.db2.gz INORMRZMNYYLTM-VHSXEESVSA-N 1 0 208.217 0.990 10 5 BCBERO Cc1c(Br)c([N+](=O)[O-])nn1CC[NH3+] ZINC000020313070 188462598 /nfs/dbraw/zinc/46/25/98/188462598.db2.gz LAYJCOUOVQIGGS-UHFFFAOYSA-N 1 0 249.068 0.821 10 5 BCBERO CN(c1ccc([N+](=O)[O-])nc1)C1CC([NH3+])C1 ZINC000384894159 356792356 /nfs/dbraw/zinc/79/23/56/356792356.db2.gz LRQQOYVVJGQPMN-UHFFFAOYSA-N 1 0 222.248 0.916 10 5 BCBERO CN(CCC[NH3+])c1ncc([N+](=O)[O-])s1 ZINC000226783815 358343460 /nfs/dbraw/zinc/34/34/60/358343460.db2.gz PQRKWBMWHYIBKY-UHFFFAOYSA-N 1 0 216.266 0.836 10 5 BCBERO [NH3+]C1CC(NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000036237234 181340344 /nfs/dbraw/zinc/34/03/44/181340344.db2.gz BSNBOICOFFVGBB-UHFFFAOYSA-N 1 0 241.272 0.876 10 5 BCBERO CCc1nn(C)c(N(CC)CC[NH3+])c1[N+](=O)[O-] ZINC000122830100 363845295 /nfs/dbraw/zinc/84/52/95/363845295.db2.gz SLAWHRWNFRMQGE-UHFFFAOYSA-N 1 0 241.295 0.676 10 5 BCBERO [NH3+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000035222596 181370570 /nfs/dbraw/zinc/37/05/70/181370570.db2.gz WSHYCQVLZLSSDV-UHFFFAOYSA-N 1 0 209.205 0.882 10 5 BCBERO [NH3+]CCNC(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000040808686 181395411 /nfs/dbraw/zinc/39/54/11/181395411.db2.gz XCGUHAWVNHLRJW-UHFFFAOYSA-N 1 0 227.195 0.422 10 5 BCBERO [NH3+]CCNC(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000054416504 181395710 /nfs/dbraw/zinc/39/57/10/181395710.db2.gz VWNISVXMZNPKKK-UHFFFAOYSA-N 1 0 227.195 0.422 10 5 BCBERO [NH3+]CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000035412595 181398660 /nfs/dbraw/zinc/39/86/60/181398660.db2.gz JLODCMXLKOBWSM-UHFFFAOYSA-N 1 0 227.249 0.675 10 5 BCBERO [NH3+]C[C@@H]1CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000050249967 181435740 /nfs/dbraw/zinc/43/57/40/181435740.db2.gz FOMUASDLORKLJV-ZETCQYMHSA-N 1 0 223.236 0.170 10 5 BCBERO O=[N+]([O-])c1nn(C2C[NH2+]C2)cc1Br ZINC000054931669 368623730 /nfs/dbraw/zinc/62/37/30/368623730.db2.gz RGCVDHFRTFPZLY-UHFFFAOYSA-N 1 0 247.052 0.698 10 5 BCBERO [NH3+]C[C@]1(CO)C[C@H]1c1ccc([N+](=O)[O-])o1 ZINC000070500336 181469611 /nfs/dbraw/zinc/46/96/11/181469611.db2.gz OMPDRTQWXSZFCZ-RCOVLWMOSA-N 1 0 212.205 0.613 10 5 BCBERO C[C@@H]1C[C@H]([NH3+])CN1c1ncc([N+](=O)[O-])s1 ZINC000600962569 371716321 /nfs/dbraw/zinc/71/63/21/371716321.db2.gz GVDLWQSBNVFTIE-RITPCOANSA-N 1 0 228.277 0.977 10 5 BCBERO O=C(NCc1ccc([N+](=O)[O-])cc1)C1C[NH2+]C1 ZINC000091412609 182250963 /nfs/dbraw/zinc/25/09/63/182250963.db2.gz MTTPRNKEURMUDE-UHFFFAOYSA-N 1 0 235.243 0.430 10 5 BCBERO O=[N+]([O-])c1ccn(C[C@@H]2CCCC[NH2+]2)n1 ZINC000043494451 182954634 /nfs/dbraw/zinc/95/46/34/182954634.db2.gz BVSDHEYUHYMXOK-QMMMGPOBSA-N 1 0 210.237 0.933 10 5 BCBERO CCC[NH2+]CCNc1c([N+](=O)[O-])ncn1C ZINC000107605810 169260438 /nfs/dbraw/zinc/26/04/38/169260438.db2.gz VFFZRJVUHVUFBO-UHFFFAOYSA-N 1 0 227.268 0.740 10 5 BCBERO CC(=O)O[C@H](C)C(=O)OCC[N+](C)(C)C ZINC000002007624 383942653 /nfs/dbraw/zinc/94/26/53/383942653.db2.gz SRZGFCNCQUMTCP-MRVPVSSYSA-N 1 0 218.273 0.187 10 5 in-man BCBERO C[C@H](C[NH3+])Nc1ncc([N+](=O)[O-])s1 ZINC000226780563 384295132 /nfs/dbraw/zinc/29/51/32/384295132.db2.gz JNKFFSRPJXGLQI-SCSAIBSYSA-N 1 0 202.239 0.810 10 5 BCBERO O=[N+]([O-])c1ccc([C@H]2[NH2+]CC[C@H]2O)cc1 ZINC000536952620 384802809 /nfs/dbraw/zinc/80/28/09/384802809.db2.gz DNCHOAPRXWJOPF-NXEZZACHSA-N 1 0 208.217 0.990 10 5 BCBERO [NH3+][C@H](CO)c1ccc(F)c([N+](=O)[O-])c1 ZINC000072197878 384812550 /nfs/dbraw/zinc/81/25/50/384812550.db2.gz PPUQYNNVAUIWPF-SSDOTTSWSA-N 1 0 200.169 0.726 10 5 BCBERO CCc1nn(C)c(NCC[NH3+])c1[N+](=O)[O-] ZINC000085020631 385017521 /nfs/dbraw/zinc/01/75/21/385017521.db2.gz YGMBNLJHGLHYFW-UHFFFAOYSA-N 1 0 213.241 0.261 10 5 BCBERO [NH3+][C@H](CO)c1ccc(F)cc1[N+](=O)[O-] ZINC000072197882 385050266 /nfs/dbraw/zinc/05/02/66/385050266.db2.gz PUVWXTWSGSIGNW-SSDOTTSWSA-N 1 0 200.169 0.726 10 5 BCBERO C[C@H](CCC[NH3+])Nc1c([N+](=O)[O-])ncn1C ZINC000336643671 386578867 /nfs/dbraw/zinc/57/88/67/386578867.db2.gz BBIBDVYVKIHTOI-SSDOTTSWSA-N 1 0 227.268 0.868 10 5 BCBERO O=[N+]([O-])c1ccc2[nH]nc(N3CC[NH2+]CC3)c2c1 ZINC000089195914 387259453 /nfs/dbraw/zinc/25/94/53/387259453.db2.gz GLTHCKMBVOYIIY-UHFFFAOYSA-N 1 0 247.258 0.881 10 5 BCBERO O=C1NCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000050394708 387794930 /nfs/dbraw/zinc/79/49/30/387794930.db2.gz HEUPDIGCXSJRRO-LLVKDONJSA-N 1 0 249.270 0.963 10 5 BCBERO O=[N+]([O-])c1cccnc1[S@@](=O)[C@H]1CC[NH2+]C1 ZINC000095091872 388759290 /nfs/dbraw/zinc/75/92/90/388759290.db2.gz HABXRSUEFGTSOY-HYORBCNSSA-N 1 0 241.272 0.459 10 5 BCBERO C[C@H]1C[NH2+]CCN1c1ncccc1[N+](=O)[O-] ZINC000054375205 132364396 /nfs/dbraw/zinc/36/43/96/132364396.db2.gz KGFDLDPGSMDWRQ-QMMMGPOBSA-N 1 0 222.248 0.788 10 5 BCBERO Cc1nc(N2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000035067449 132312435 /nfs/dbraw/zinc/31/24/35/132312435.db2.gz IDDRKBOMKDXOBK-UHFFFAOYSA-N 1 0 222.248 0.708 10 5 BCBERO O=[N+]([O-])c1cnccc1N1CC[NH2+]CC1 ZINC000034938910 132337238 /nfs/dbraw/zinc/33/72/38/132337238.db2.gz KCPYVCICIJDVDN-UHFFFAOYSA-N 1 0 208.221 0.399 10 5 BCBERO [NH3+][C@@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000040434942 132347546 /nfs/dbraw/zinc/34/75/46/132347546.db2.gz OSEZKOVCHCXLSY-MRVPVSSYSA-N 1 0 222.248 0.917 10 5 BCBERO C[C@H]1C[NH2+]CCN1c1ncc([N+](=O)[O-])s1 ZINC000261910842 135113323 /nfs/dbraw/zinc/11/33/23/135113323.db2.gz YBRDIDKECNQWRG-LURJTMIESA-N 1 0 228.277 0.849 10 5 BCBERO [NH3+]CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000261570983 135212794 /nfs/dbraw/zinc/21/27/94/135212794.db2.gz HGIIWKLGXKUSCS-UHFFFAOYSA-N 1 0 239.260 0.970 10 5 BCBERO C[C@@H]1[C@H]([NH3+])CCN1c1ccc([N+](=O)[O-])nc1 ZINC000261592074 135232998 /nfs/dbraw/zinc/23/29/98/135232998.db2.gz VSYXDHXBZMJKPL-VXNVDRBHSA-N 1 0 222.248 0.916 10 5 BCBERO C[C@H](C[NH3+])CNc1ccc([N+](=O)[O-])cn1 ZINC000260291105 322883974 /nfs/dbraw/zinc/88/39/74/322883974.db2.gz YJWTVGINXLTZKC-SSDOTTSWSA-N 1 0 210.237 0.997 10 5 BCBERO CC(C)[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000054264739 167107231 /nfs/dbraw/zinc/10/72/31/167107231.db2.gz CHNUTDPTXUKSOJ-UHFFFAOYSA-N 1 0 240.263 0.651 10 5 BCBERO CC[NH2+]C[C@@H](O)COc1ccc([N+](=O)[O-])cc1 ZINC000036949048 170119046 /nfs/dbraw/zinc/11/90/46/170119046.db2.gz PFBGCACCPJLUPH-SNVBAGLBSA-N 1 0 240.259 0.944 10 5 BCBERO C[NH2+]CCN(C)c1ncc([N+](=O)[O-])s1 ZINC000226766618 173354252 /nfs/dbraw/zinc/35/42/52/173354252.db2.gz GIOITCDCMMWQIN-UHFFFAOYSA-N 1 0 216.266 0.707 10 5 BCBERO C[NH2+]CCNc1ccc([N+](=O)[O-])c2nonc21 ZINC000054244792 173356871 /nfs/dbraw/zinc/35/68/71/173356871.db2.gz CVXPOYFCRSJISB-UHFFFAOYSA-N 1 0 237.219 0.762 10 5 BCBERO COc1ccc(NC(=O)C[NH3+])c([N+](=O)[O-])c1 ZINC000034979724 175141360 /nfs/dbraw/zinc/14/13/60/175141360.db2.gz WYIZPRUJQNEFCS-UHFFFAOYSA-N 1 0 225.204 0.501 10 5 BCBERO C[C@H](NC(=O)C1C[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000091412185 176788689 /nfs/dbraw/zinc/78/86/89/176788689.db2.gz CXEVLRKOMQMCIJ-QMMMGPOBSA-N 1 0 249.270 0.991 10 5 BCBERO C[C@H](Oc1ccc(C[NH3+])cc1[N+](=O)[O-])C(N)=O ZINC000036732312 177022516 /nfs/dbraw/zinc/02/25/16/177022516.db2.gz HUVPLXJSPQBLCI-LURJTMIESA-N 1 0 239.231 0.306 10 5 BCBERO C[C@H]1[NH2+]CCC[C@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000229597092 177396310 /nfs/dbraw/zinc/39/63/10/177396310.db2.gz GRQHBIHFMJUSKJ-VXNVDRBHSA-N 1 0 237.263 0.937 10 5 BCBERO [NH3+]C[C@H]1CC(=O)Nc2ccc([N+](=O)[O-])cc21 ZINC000757175609 586433209 /nfs/dbraw/zinc/43/32/09/586433209.db2.gz MBHAZXPSBJGVGG-ZCFIWIBFSA-N 1 0 221.216 0.979 10 5 BCBERO O=C(NC[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000133630257 591843945 /nfs/dbraw/zinc/84/39/45/591843945.db2.gz NFBDDJRLSJFXCX-SECBINFHSA-N 1 0 249.270 0.934 10 5 BCBERO O=[N+]([O-])c1ccc(N[C@H]2CC[NH2+]C2)c2nonc21 ZINC000052093767 635710750 /nfs/dbraw/zinc/71/07/50/635710750.db2.gz WGPQBBLKIMJFEI-LURJTMIESA-N 1 0 249.230 0.905 10 5 BCBERO CN(CC[NH3+])c1nc2sccn2c1[N+](=O)[O-] ZINC000054419555 636635304 /nfs/dbraw/zinc/63/53/04/636635304.db2.gz OYIJIRAVKMYNCR-UHFFFAOYSA-N 1 0 241.276 0.699 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H]1C[NH3+] ZINC000168992561 640835476 /nfs/dbraw/zinc/83/54/76/640835476.db2.gz YUULLPMPCMNYMH-SSDOTTSWSA-N 1 0 225.252 0.256 10 5 BCBERO O=[N+]([O-])c1ccc(NC2C[NH2+]C2)c([N+](=O)[O-])c1 ZINC000090289376 643139386 /nfs/dbraw/zinc/13/93/86/643139386.db2.gz HYJLMNURZIDWQE-UHFFFAOYSA-N 1 0 238.203 0.887 10 5 BCBERO Cn1ncc([N+](=O)[O-])c1N1CCC[C@H]([NH3+])C1 ZINC000091691071 644636372 /nfs/dbraw/zinc/63/63/72/644636372.db2.gz HRIAORVRGZVLLN-ZETCQYMHSA-N 1 0 225.252 0.256 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1N[C@H]1CCC[C@@H]1C[NH3+] ZINC000115339641 645623478 /nfs/dbraw/zinc/62/34/78/645623478.db2.gz MJMNUDNEAHHYMV-SFYZADRCSA-N 1 0 239.279 0.868 10 5 BCBERO C[NH2+]CCN(c1c([N+](=O)[O-])ncn1C)C(C)C ZINC000720717765 712862175 /nfs/dbraw/zinc/86/21/75/712862175.db2.gz WIIMDESWFSGRDK-UHFFFAOYSA-N 1 0 241.295 0.763 10 5 BCBERO [NH3+]CC[C@@H]1CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000723671639 711532919 /nfs/dbraw/zinc/53/29/19/711532919.db2.gz DWWJRLSLRRVEDI-MRVPVSSYSA-N 1 0 237.263 0.560 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1N1CC[C@@H](CC[NH3+])C1 ZINC000723673096 711533418 /nfs/dbraw/zinc/53/34/18/711533418.db2.gz WLTHPIMNOBPBMG-MRVPVSSYSA-N 1 0 239.279 0.503 10 5 BCBERO C[N+](C)(C)CCOC(=O)c1ccccn1 ZINC000003620976 717096351 /nfs/dbraw/zinc/09/63/51/717096351.db2.gz BHRAJODAXPYGDE-UHFFFAOYSA-N 1 0 209.269 0.945 10 5 BCBERO CCCCCC[C@H](O)C[N+](C)(CCO)CCO ZINC000038648269 717126304 /nfs/dbraw/zinc/12/63/04/717126304.db2.gz HRLHBMBAJYJZGB-ZDUSSCGKSA-N 1 0 248.387 0.749 10 5 BCBERO CC(=O)OC[C@@H](C[N+](C)(C)C)OC(C)=O ZINC000038917543 717126798 /nfs/dbraw/zinc/12/67/98/717126798.db2.gz YCQQSLOWOLMUOO-SNVBAGLBSA-N 1 0 218.273 0.187 10 5 BCBERO CCC(=O)O[C@H](C)C(=O)OCC[N+](C)(C)C ZINC000033825004 717122208 /nfs/dbraw/zinc/12/22/08/717122208.db2.gz QEFPIERSVCYQQN-SECBINFHSA-N 1 0 232.300 0.578 10 5 BCBERO C[C@H]([NH3+])C[C@H](C)Nc1ncc([N+](=O)[O-])cn1 ZINC000320592998 342734690 /nfs/dbraw/zinc/73/46/90/342734690.db2.gz WAOJSAIIRSYLBQ-BQBZGAKWSA-N 1 0 225.252 0.923 10 5 BCBERO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000062116866 346205289 /nfs/dbraw/zinc/20/52/89/346205289.db2.gz ZGTPVYGOROMSTK-SNVBAGLBSA-N 1 0 249.270 0.821 10 5 BCBERO C[NH2+]C[C@H](C)Nc1c([N+](=O)[O-])ncn1C ZINC000596033146 348427942 /nfs/dbraw/zinc/42/79/42/348427942.db2.gz RDNCIXGQFPFHJG-LURJTMIESA-N 1 0 213.241 0.348 10 5 BCBERO Cc1nc(N(C)CC[NH3+])ccc1[N+](=O)[O-] ZINC000124108499 179995317 /nfs/dbraw/zinc/99/53/17/179995317.db2.gz BDEDYVWATJDPBV-UHFFFAOYSA-N 1 0 210.237 0.693 10 5 BCBERO Cc1nn(C)c(NC[C@@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000053255327 180358723 /nfs/dbraw/zinc/35/87/23/180358723.db2.gz ZECQQIDLEXBWJV-QMMMGPOBSA-N 1 0 239.279 0.801 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1NCC1([NH3+])CCC1 ZINC000236089708 180773085 /nfs/dbraw/zinc/77/30/85/180773085.db2.gz COSXIXWAYZUTAS-UHFFFAOYSA-N 1 0 225.252 0.622 10 5 BCBERO Cc1nn(C)c(NC[C@H](C)C[NH3+])c1[N+](=O)[O-] ZINC000420222349 192176831 /nfs/dbraw/zinc/17/68/31/192176831.db2.gz WIDAKCALEDNATA-ZCFIWIBFSA-N 1 0 227.268 0.643 10 5 BCBERO NC(=O)CNCc1ccccc1[N+](=O)[O-] ZINC000020056838 181236008 /nfs/dbraw/zinc/23/60/08/181236008.db2.gz HQWXMTCCGZVMSS-UHFFFAOYSA-N 1 0 209.205 0.170 10 5 BCBERO NC(=O)[C@@H]([NH3+])CCOc1ccccc1[N+](=O)[O-] ZINC000062539375 181264774 /nfs/dbraw/zinc/26/47/74/181264774.db2.gz BLISEFUAYPTASA-ZETCQYMHSA-N 1 0 239.231 0.176 10 5 BCBERO NC(=O)[C@H]([NH3+])CCOc1ccccc1[N+](=O)[O-] ZINC000062539379 181277186 /nfs/dbraw/zinc/27/71/86/181277186.db2.gz BLISEFUAYPTASA-SSDOTTSWSA-N 1 0 239.231 0.176 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1NCCC1(C[NH3+])CC1 ZINC000404681272 360479802 /nfs/dbraw/zinc/47/98/02/360479802.db2.gz KWVSAXLCDLTASV-UHFFFAOYSA-N 1 0 239.279 0.869 10 5 BCBERO [NH3+]CC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000043474410 181354905 /nfs/dbraw/zinc/35/49/05/181354905.db2.gz UNUYMRTXFWOHLA-UHFFFAOYSA-N 1 0 213.168 0.631 10 5 BCBERO [NH3+]C[C@@H](O)COc1cc(F)ccc1[N+](=O)[O-] ZINC000022215150 181421807 /nfs/dbraw/zinc/42/18/07/181421807.db2.gz STFGRNPSJHDWGW-SSDOTTSWSA-N 1 0 230.195 0.432 10 5 BCBERO C[C@@H]1C[C@H]([NH3+])CN1c1ncc([N+](=O)[O-])cn1 ZINC000230538825 369446850 /nfs/dbraw/zinc/44/68/50/369446850.db2.gz VODSCXBSAJUJLY-RQJHMYQMSA-N 1 0 223.236 0.311 10 5 BCBERO [NH3+]Cc1cn(Cc2cccc([N+](=O)[O-])c2)nn1 ZINC000050224488 181492715 /nfs/dbraw/zinc/49/27/15/181492715.db2.gz IZIPITIOPHZNQL-UHFFFAOYSA-N 1 0 233.231 0.693 10 5 BCBERO COC[C@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000309950023 370277202 /nfs/dbraw/zinc/27/72/02/370277202.db2.gz FRQXUXIDGARGAO-QMMMGPOBSA-N 1 0 228.252 0.416 10 5 BCBERO [NH3+]C1CN(c2ncc([N+](=O)[O-])s2)C1 ZINC000226781092 371743334 /nfs/dbraw/zinc/74/33/34/371743334.db2.gz DUMSMMUCFHXELB-UHFFFAOYSA-N 1 0 200.223 0.199 10 5 BCBERO CN(CCC[NH3+])c1ncc([N+](=O)[O-])cn1 ZINC000227749850 371929775 /nfs/dbraw/zinc/92/97/75/371929775.db2.gz KOPRABGPCKIYPO-UHFFFAOYSA-N 1 0 211.225 0.170 10 5 BCBERO O=[N+]([O-])c1ccc(N[C@@H]2CC[NH2+]C2)c2nonc21 ZINC000052093766 182938258 /nfs/dbraw/zinc/93/82/58/182938258.db2.gz WGPQBBLKIMJFEI-ZCFIWIBFSA-N 1 0 249.230 0.905 10 5 BCBERO CCC[NH2+]CCNc1ncc([N+](=O)[O-])cn1 ZINC000054267394 169260210 /nfs/dbraw/zinc/26/02/10/169260210.db2.gz OMKWCWRUSYXZHS-UHFFFAOYSA-N 1 0 225.252 0.796 10 5 BCBERO [NH3+]C[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000050249851 383988420 /nfs/dbraw/zinc/98/84/20/383988420.db2.gz SGURDRJXADFUHS-MRVPVSSYSA-N 1 0 222.248 0.775 10 5 BCBERO O=[N+]([O-])c1cnc(N[C@H]2CC[NH2+]C2)s1 ZINC000226779626 384162354 /nfs/dbraw/zinc/16/23/54/384162354.db2.gz VPXVCIOJNZRHDA-YFKPBYRVSA-N 1 0 214.250 0.825 10 5 BCBERO O=[N+]([O-])c1ccc2[nH]c(N3CC[NH2+]CC3)nc2c1 ZINC000094770061 384313642 /nfs/dbraw/zinc/31/36/42/384313642.db2.gz YIZPWUMYSFEWRC-UHFFFAOYSA-N 1 0 247.258 0.881 10 5 BCBERO O=[N+]([O-])c1ccc([S@@](=O)[C@@H]2CC[NH2+]C2)nc1 ZINC000095091941 384810278 /nfs/dbraw/zinc/81/02/78/384810278.db2.gz HZLLVAPVEZUZBJ-VPTHRUTESA-N 1 0 241.272 0.459 10 5 BCBERO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)C[NH3+] ZINC000309317273 385047222 /nfs/dbraw/zinc/04/72/22/385047222.db2.gz ODCOWLYFGWJSTG-ZCFIWIBFSA-N 1 0 227.268 0.879 10 5 BCBERO CC(C)[C@@H]([NH3+])CNc1c([N+](=O)[O-])ncn1C ZINC000112150750 385834258 /nfs/dbraw/zinc/83/42/58/385834258.db2.gz NLLPHXNIERUJNY-ZETCQYMHSA-N 1 0 227.268 0.724 10 5 BCBERO [NH3+]C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000122300729 386741970 /nfs/dbraw/zinc/74/19/70/386741970.db2.gz NTXHIHKYKXAFEU-SSDOTTSWSA-N 1 0 238.247 0.486 10 5 BCBERO [NH3+]CCc1cc2cn[nH]c2c([N+](=O)[O-])c1 ZINC000089197216 387260934 /nfs/dbraw/zinc/26/09/34/387260934.db2.gz WKDLMAWOIYLFPZ-UHFFFAOYSA-N 1 0 206.205 0.972 10 5 BCBERO C[C@H]1C[NH2+]CCN1c1ccc([N+](=O)[O-])nc1 ZINC000054374950 132233888 /nfs/dbraw/zinc/23/38/88/132233888.db2.gz IOARQPWDRKCMEL-QMMMGPOBSA-N 1 0 222.248 0.788 10 5 BCBERO CCn1c(C)nc([N+](=O)[O-])c1N(C)CC[NH3+] ZINC000261576344 135217590 /nfs/dbraw/zinc/21/75/90/135217590.db2.gz KHJPMTKRTUNBIC-UHFFFAOYSA-N 1 0 227.268 0.515 10 5 BCBERO C[C@@H]1[C@H]([NH3+])CCN1c1ccc([N+](=O)[O-])cn1 ZINC000261579937 135220894 /nfs/dbraw/zinc/22/08/94/135220894.db2.gz MPLOLXRVTGTYCF-VXNVDRBHSA-N 1 0 222.248 0.916 10 5 BCBERO CN(c1ccc([N+](=O)[O-])cn1)[C@H]1CC[NH2+]C1 ZINC000070896612 398038193 /nfs/dbraw/zinc/03/81/93/398038193.db2.gz PVLTZOUWPNMYBD-QMMMGPOBSA-N 1 0 222.248 0.788 10 5 BCBERO CC[NH2+]CCNc1c([N+](=O)[O-])c(C)nn1C ZINC000054267328 170116052 /nfs/dbraw/zinc/11/60/52/170116052.db2.gz YJZAETORRNGHBY-UHFFFAOYSA-N 1 0 227.268 0.658 10 5 BCBERO CC[NH2+]C[C@H](O)COc1cccnc1[N+](=O)[O-] ZINC000036951154 170122532 /nfs/dbraw/zinc/12/25/32/170122532.db2.gz UJTLZPFQRDBWQW-QMMMGPOBSA-N 1 0 241.247 0.339 10 5 BCBERO Cc1nc(N[C@H](C)[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000381619528 411750044 /nfs/dbraw/zinc/75/00/44/411750044.db2.gz RGBOHVLESVHMKV-RNFRBKRXSA-N 1 0 224.264 1.446 10 5 BCBERO Cc1nc(N[C@@H](C)CC[NH3+])ccc1[N+](=O)[O-] ZINC000336645724 411750619 /nfs/dbraw/zinc/75/06/19/411750619.db2.gz DDWCPVIVHYLWCO-ZETCQYMHSA-N 1 0 224.264 1.447 10 5 BCBERO CCc1nn(C)c(N[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000091560491 172038839 /nfs/dbraw/zinc/03/88/39/172038839.db2.gz ZECONQFELIRGCL-SSDOTTSWSA-N 1 0 239.279 0.665 10 5 BCBERO C[N@@H+]1CC[C@H](n2ncc([N+](=O)[O-])c2N)C1 ZINC000061989978 173158411 /nfs/dbraw/zinc/15/84/11/173158411.db2.gz UDOXZYUYAXVIII-LURJTMIESA-N 1 0 211.225 0.250 10 5 BCBERO C[NH2+]CC(=O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000034979687 173333642 /nfs/dbraw/zinc/33/36/42/173333642.db2.gz WJPUELQMXVCNEI-UHFFFAOYSA-N 1 0 227.195 0.892 10 5 BCBERO C[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000035122318 173334350 /nfs/dbraw/zinc/33/43/50/173334350.db2.gz QGROVLQADDHJPR-UHFFFAOYSA-N 1 0 227.195 0.892 10 5 BCBERO COCC[NH2+]Cc1ccc([N+](=O)[O-])o1 ZINC000037186339 174335599 /nfs/dbraw/zinc/33/55/99/174335599.db2.gz PIIJTWANMGPADD-UHFFFAOYSA-N 1 0 200.194 0.924 10 5 BCBERO C[C@H]1CN(c2ccc([N+](=O)[O-])nc2)C[C@@H]1[NH3+] ZINC000235669588 177277418 /nfs/dbraw/zinc/27/74/18/177277418.db2.gz HTPIRXOKGKVELZ-CBAPKCEASA-N 1 0 222.248 0.773 10 5 BCBERO C[C@H](C[NH3+])Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000111302850 323158659 /nfs/dbraw/zinc/15/86/59/323158659.db2.gz VOBSLFJFSQFHCM-ZCFIWIBFSA-N 1 0 238.247 0.453 10 5 BCBERO [NH3+]CCn1ncc2cc([N+](=O)[O-])ccc21 ZINC000222870476 592506195 /nfs/dbraw/zinc/50/61/95/592506195.db2.gz BQZASAFRNAWSDN-UHFFFAOYSA-N 1 0 206.205 0.903 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1N1CCC[C@H]([NH3+])C1 ZINC000041030277 636953122 /nfs/dbraw/zinc/95/31/22/636953122.db2.gz LRQLCLPPTJNKII-ZETCQYMHSA-N 1 0 225.252 0.256 10 5 BCBERO C[NH+](C)[C@H]1CCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000170842661 642697343 /nfs/dbraw/zinc/69/73/43/642697343.db2.gz BBKRSRSGTSEVLC-VIFPVBQESA-N 1 0 239.279 0.385 10 5 BCBERO Cc1cc(N(C)C2C[NH2+]C2)ncc1[N+](=O)[O-] ZINC000086003309 643882359 /nfs/dbraw/zinc/88/23/59/643882359.db2.gz YZRZQOCUHJMWAE-UHFFFAOYSA-N 1 0 222.248 0.706 10 5 BCBERO Cn1ncc([N+](=O)[O-])c1N1CCC[C@@H]([NH3+])C1 ZINC000091691083 644637015 /nfs/dbraw/zinc/63/70/15/644637015.db2.gz HRIAORVRGZVLLN-SSDOTTSWSA-N 1 0 225.252 0.256 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1NC[C@H]1C[C@H]([NH3+])C1 ZINC000715083659 712507525 /nfs/dbraw/zinc/50/75/25/712507525.db2.gz ZJSDBGMTSZHNDH-LJGSYFOKSA-N 1 0 225.252 0.478 10 5 BCBERO C[N+](C)(C)CCOC(=O)c1cccnc1 ZINC000003641726 717097307 /nfs/dbraw/zinc/09/73/07/717097307.db2.gz ZMPGJEYFRZCHQC-UHFFFAOYSA-N 1 0 209.269 0.945 10 5 BCBERO C[N+](C)(C)c1cccc(OC[C@H](O)CO)c1 ZINC000001851671 717090848 /nfs/dbraw/zinc/09/08/48/717090848.db2.gz UGYJRTHHGDXODI-LLVKDONJSA-N 1 0 226.296 0.615 10 5 BCBERO COC(=O)CCC(=O)OCC[N+](C)(C)C ZINC000005530184 717100441 /nfs/dbraw/zinc/10/04/41/717100441.db2.gz OQNIYUSHDBGZJA-UHFFFAOYSA-N 1 0 218.273 0.189 10 5 BCBERO Cc1cc(OC[C@@H](O)C[NH3+])ccc1[N+](=O)[O-] ZINC000022171131 178212383 /nfs/dbraw/zinc/21/23/83/178212383.db2.gz VIVRFPQIURUCOI-QMMMGPOBSA-N 1 0 226.232 0.602 10 5 BCBERO Cc1cc([N+](=O)[O-])cnc1NC1[C@H]2C[NH2+]C[C@@H]12 ZINC000052812987 178273520 /nfs/dbraw/zinc/27/35/20/178273520.db2.gz APOGSBOKTACDQY-ULKQDVFKSA-N 1 0 234.259 0.928 10 5 BCBERO O=C1NCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000610897263 344159001 /nfs/dbraw/zinc/15/90/01/344159001.db2.gz SFIFWWZPXBHADP-SNVBAGLBSA-N 1 0 235.243 0.573 10 5 BCBERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000600951898 344401195 /nfs/dbraw/zinc/40/11/95/344401195.db2.gz OKIAVRKIXVIOEV-DTWKUNHWSA-N 1 0 237.263 0.937 10 5 BCBERO CN(CCOCC[NH3+])c1ccc([N+](=O)[O-])nc1 ZINC000600956568 344401840 /nfs/dbraw/zinc/40/18/40/344401840.db2.gz VFFRXFFZWNMOKI-UHFFFAOYSA-N 1 0 240.263 0.401 10 5 BCBERO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](C)[NH3+] ZINC000085022546 344495096 /nfs/dbraw/zinc/49/50/96/344495096.db2.gz NOXNRZBXSTTWKH-LURJTMIESA-N 1 0 227.268 0.879 10 5 BCBERO C[C@@H]([NH3+])[C@@H](C)Nc1c([N+](=O)[O-])ncn1C ZINC000381734599 344582587 /nfs/dbraw/zinc/58/25/87/344582587.db2.gz LIPBEMSFEANLTN-PHDIDXHHSA-N 1 0 213.241 0.476 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCC[NH2+]C1 ZINC000044502983 345099720 /nfs/dbraw/zinc/09/97/20/345099720.db2.gz IVLHAEOFRBSZNN-QMMMGPOBSA-N 1 0 239.279 0.740 10 5 BCBERO C[NH2+]C[C@H](C)Nc1ncc([N+](=O)[O-])cn1 ZINC000596033740 348427890 /nfs/dbraw/zinc/42/78/90/348427890.db2.gz VSXBLFHJMQVSKV-LURJTMIESA-N 1 0 211.225 0.405 10 5 BCBERO Cc1nn(C)c(N(C)CC[NH3+])c1[N+](=O)[O-] ZINC000054419581 180351501 /nfs/dbraw/zinc/35/15/01/180351501.db2.gz FYGPMESTPKRCKT-UHFFFAOYSA-N 1 0 213.241 0.032 10 5 BCBERO Cc1nn(C)c(NC[C@@H]([NH3+])C2CC2)c1[N+](=O)[O-] ZINC000129327079 180357779 /nfs/dbraw/zinc/35/77/79/180357779.db2.gz HQIJOMQWRSTICH-MRVPVSSYSA-N 1 0 239.279 0.786 10 5 BCBERO C[C@@H](C[NH3+])N(C)c1ncc([N+](=O)[O-])s1 ZINC000382978890 351121422 /nfs/dbraw/zinc/12/14/22/351121422.db2.gz VBMTXZIKTPUEDJ-YFKPBYRVSA-N 1 0 216.266 0.835 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1N[C@@H](CC[NH3+])C(F)F ZINC000383347551 352747720 /nfs/dbraw/zinc/74/77/20/352747720.db2.gz AAPPIZLVKWUQRB-YFKPBYRVSA-N 1 0 249.221 0.723 10 5 BCBERO C[C@H](C[NH3+])CNc1ccc([N+](=O)[O-])nc1 ZINC000420215253 192177077 /nfs/dbraw/zinc/17/70/77/192177077.db2.gz KNQQRXWRIFWQKC-SSDOTTSWSA-N 1 0 210.237 0.997 10 5 BCBERO CCc1nn(C)c(NC[C@@H](C)C[NH3+])c1[N+](=O)[O-] ZINC000420216776 192193152 /nfs/dbraw/zinc/19/31/52/192193152.db2.gz MRVNOHXGIUTKEO-ZETCQYMHSA-N 1 0 241.295 0.897 10 5 BCBERO [NH3+]C[C@H]1CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000050249964 181464077 /nfs/dbraw/zinc/46/40/77/181464077.db2.gz FOMUASDLORKLJV-SSDOTTSWSA-N 1 0 223.236 0.170 10 5 BCBERO CC[C@@H]([NH3+])CNc1c([N+](=O)[O-])c(C)nn1C ZINC000082579245 371012204 /nfs/dbraw/zinc/01/22/04/371012204.db2.gz SIMSXMWMTHJBJG-SSDOTTSWSA-N 1 0 227.268 0.786 10 5 BCBERO C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)C[C@H]1C[NH3+] ZINC000600961641 371716618 /nfs/dbraw/zinc/71/66/18/371716618.db2.gz TWZIRPSTYYMLCA-HTQZYQBOSA-N 1 0 237.263 0.416 10 5 BCBERO C[C@H]1CN(c2c([N+](=O)[O-])ncn2C)C[C@@H]1C[NH3+] ZINC000600960226 371718438 /nfs/dbraw/zinc/71/84/38/371718438.db2.gz BTHJZDDJMDPNDP-YUMQZZPRSA-N 1 0 239.279 0.359 10 5 BCBERO C[C@@H]([NH3+])CNc1ncc([N+](=O)[O-])s1 ZINC000226780521 371743252 /nfs/dbraw/zinc/74/32/52/371743252.db2.gz WLJKCNHDVVQGIZ-SCSAIBSYSA-N 1 0 202.239 0.810 10 5 BCBERO O=[N+]([O-])c1cnc(N[C@@H]2CCC[NH2+]C2)nc1 ZINC000070950193 384481354 /nfs/dbraw/zinc/48/13/54/384481354.db2.gz GYBDWQHCDSQYBT-SSDOTTSWSA-N 1 0 223.236 0.549 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCC[NH2+]C1 ZINC000070950469 384482129 /nfs/dbraw/zinc/48/21/29/384482129.db2.gz CNGDCRNORBJIGW-SSDOTTSWSA-N 1 0 225.252 0.492 10 5 BCBERO O=[N+]([O-])c1ccc([C@@H]2[NH2+]CC[C@@H]2O)cc1 ZINC000536952639 384804697 /nfs/dbraw/zinc/80/46/97/384804697.db2.gz DNCHOAPRXWJOPF-UWVGGRQHSA-N 1 0 208.217 0.990 10 5 BCBERO [NH3+]Cc1nc(-c2ccccc2[N+](=O)[O-])n[nH]1 ZINC000072236505 384842703 /nfs/dbraw/zinc/84/27/03/384842703.db2.gz OEOBFPJASFNATE-UHFFFAOYSA-N 1 0 219.204 0.839 10 5 BCBERO [NH3+][C@@H]1CCn2c1nc1cc([N+](=O)[O-])ccc1c2=O ZINC000072266452 385144914 /nfs/dbraw/zinc/14/49/14/385144914.db2.gz OSODITNBZWTFHF-MRVPVSSYSA-N 1 0 246.226 0.708 10 5 BCBERO O=[N+]([O-])c1cnc(NCC23CC(C2)C[NH2+]3)nc1 ZINC000596026790 388400464 /nfs/dbraw/zinc/40/04/64/388400464.db2.gz MGDOSXYGPBMKGZ-UHFFFAOYSA-N 1 0 235.247 0.549 10 5 BCBERO [NH3+][C@@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000041030252 132223816 /nfs/dbraw/zinc/22/38/16/132223816.db2.gz XXNDMIURVJDJFN-MRVPVSSYSA-N 1 0 222.248 0.917 10 5 BCBERO Cc1ccc([N+](=O)[O-])c(N2CC[NH2+]CC2)n1 ZINC000036242636 132318539 /nfs/dbraw/zinc/31/85/39/132318539.db2.gz SMJSURSESNLFJC-UHFFFAOYSA-N 1 0 222.248 0.708 10 5 BCBERO Cc1ccnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000036245113 132318577 /nfs/dbraw/zinc/31/85/77/132318577.db2.gz UOSSKPDMJUNRQO-UHFFFAOYSA-N 1 0 222.248 0.708 10 5 BCBERO CN(C(=O)c1ccc([N+](=O)[O-])s1)C1C[NH2+]C1 ZINC000085257594 134268768 /nfs/dbraw/zinc/26/87/68/134268768.db2.gz RAVTVMQBPGHIIH-UHFFFAOYSA-N 1 0 241.272 0.700 10 5 BCBERO C[C@H]1[C@H]([NH3+])CCN1c1ccc([N+](=O)[O-])nc1 ZINC000261592073 135233078 /nfs/dbraw/zinc/23/30/78/135233078.db2.gz VSYXDHXBZMJKPL-IONNQARKSA-N 1 0 222.248 0.916 10 5 BCBERO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](C)C[NH3+] ZINC000420222668 411130571 /nfs/dbraw/zinc/13/05/71/411130571.db2.gz XRZNTTNWNBAKRG-ZETCQYMHSA-N 1 0 224.264 1.305 10 5 BCBERO Cc1nc(N[C@@H](C)[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000381619524 411751786 /nfs/dbraw/zinc/75/17/86/411751786.db2.gz RGBOHVLESVHMKV-BQBZGAKWSA-N 1 0 224.264 1.446 10 5 BCBERO C[NH2+]C[C@@H](C)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000596031159 412292131 /nfs/dbraw/zinc/29/21/31/412292131.db2.gz APSGWGOJSRNSRH-SSDOTTSWSA-N 1 0 224.264 1.318 10 5 BCBERO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C1C[NH2+]C1 ZINC000090289721 172314994 /nfs/dbraw/zinc/31/49/94/172314994.db2.gz ITFRAXXBCBXQGN-UHFFFAOYSA-N 1 0 249.270 0.568 10 5 BCBERO C[NH+]1CCC(n2ncc([N+](=O)[O-])c2N)CC1 ZINC000043669422 173002019 /nfs/dbraw/zinc/00/20/19/173002019.db2.gz YQYKMUMBQODBEG-UHFFFAOYSA-N 1 0 225.252 0.640 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C)C1 ZINC000042375216 173125883 /nfs/dbraw/zinc/12/58/83/173125883.db2.gz FNNNYYCSPHODNM-SSDOTTSWSA-N 1 0 225.252 0.444 10 5 BCBERO C[NH2+]CC(=O)N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000037810948 173325507 /nfs/dbraw/zinc/32/55/07/173325507.db2.gz WWQMVRSZIVGRNG-UHFFFAOYSA-N 1 0 237.259 0.773 10 5 BCBERO C[NH2+]CC(=O)Nc1ccc(O)cc1[N+](=O)[O-] ZINC000037000701 173334370 /nfs/dbraw/zinc/33/43/70/173334370.db2.gz HUDOCPZXHKVIPY-UHFFFAOYSA-N 1 0 225.204 0.458 10 5 BCBERO C[NH2+]C[C@H](O)COc1cc(C)ccc1[N+](=O)[O-] ZINC000019865027 173376661 /nfs/dbraw/zinc/37/66/61/173376661.db2.gz NBCAZSFQESZGHW-VIFPVBQESA-N 1 0 240.259 0.862 10 5 BCBERO COc1ccc([N+](=O)[O-])cc1OC1C[NH2+]C1 ZINC000054931712 175201212 /nfs/dbraw/zinc/20/12/12/175201212.db2.gz OHGZPRUPGIUOOI-UHFFFAOYSA-N 1 0 224.216 0.954 10 5 BCBERO COc1ccc([N+](=O)[O-])cc1NC(=O)C[NH3+] ZINC000034979721 175201273 /nfs/dbraw/zinc/20/12/73/175201273.db2.gz MHUNTXVPDCVAMB-UHFFFAOYSA-N 1 0 225.204 0.501 10 5 BCBERO C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)C[C@@H]1[NH3+] ZINC000235364557 176319238 /nfs/dbraw/zinc/31/92/38/176319238.db2.gz HTPIRXOKGKVELZ-APPZFPTMSA-N 1 0 222.248 0.773 10 5 BCBERO C[C@@H]1C[NH2+]CCN1Cc1ccc([N+](=O)[O-])o1 ZINC000054373921 176327128 /nfs/dbraw/zinc/32/71/28/176327128.db2.gz ANZSCENONWSFPR-MRVPVSSYSA-N 1 0 225.248 0.982 10 5 BCBERO C[C@H]1[NH2+]CCC[C@@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000229597076 177395187 /nfs/dbraw/zinc/39/51/87/177395187.db2.gz GRQHBIHFMJUSKJ-APPZFPTMSA-N 1 0 237.263 0.937 10 5 BCBERO CC(C)(C[NH+]1CCC(O)CC1)[N+](=O)[O-] ZINC000039320554 322905466 /nfs/dbraw/zinc/90/54/66/322905466.db2.gz ZGDOTBGPAUIYTQ-UHFFFAOYSA-N 1 0 202.254 0.498 10 5 BCBERO CN1C(=O)c2cc([N+](=O)[O-])ccc2[C@H]1C[NH3+] ZINC000536954810 323963223 /nfs/dbraw/zinc/96/32/23/323963223.db2.gz MJEVQMPDGVYLDV-SECBINFHSA-N 1 0 221.216 0.680 10 5 BCBERO O=[N+]([O-])c1ccc(NC[C@H]2C[NH2+]CCO2)cn1 ZINC000134272918 591907739 /nfs/dbraw/zinc/90/77/39/591907739.db2.gz KQSYQDMRYZFWSV-SECBINFHSA-N 1 0 238.247 0.390 10 5 BCBERO C[C@H]([NH3+])CN(C)c1ccc([N+](=O)[O-])nc1 ZINC000308854888 631694943 /nfs/dbraw/zinc/69/49/43/631694943.db2.gz SOBQDACQZVLQDM-ZETCQYMHSA-N 1 0 210.237 0.773 10 5 BCBERO [NH3+]C[C@@H]1CCCCN1c1ncc([N+](=O)[O-])cn1 ZINC000044559857 640437702 /nfs/dbraw/zinc/43/77/02/640437702.db2.gz UUNIBWVYRAJSTB-QMMMGPOBSA-N 1 0 237.263 0.702 10 5 BCBERO [NH3+][C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000041028629 641538742 /nfs/dbraw/zinc/53/87/42/641538742.db2.gz FBGAIMUSFJBIEO-ZETCQYMHSA-N 1 0 238.247 0.486 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1NCC(C)(C)[NH3+] ZINC000113805286 645534168 /nfs/dbraw/zinc/53/41/68/645534168.db2.gz ZGGKXJQVYLCEQG-UHFFFAOYSA-N 1 0 213.241 0.478 10 5 BCBERO CC1(C)C[NH2+]C[C@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000721858110 711791804 /nfs/dbraw/zinc/79/18/04/711791804.db2.gz CRPRSIKZAXIQCW-MRVPVSSYSA-N 1 0 237.263 0.795 10 5 BCBERO CC1(C)CN(c2ncc([N+](=O)[O-])cn2)C[C@H]1[NH3+] ZINC000720830129 712869100 /nfs/dbraw/zinc/86/91/00/712869100.db2.gz YSPGZRACAHBIIW-MRVPVSSYSA-N 1 0 237.263 0.558 10 5 BCBERO C[N+](C)(C)CCOC(=O)c1ccncc1 ZINC000003620975 717096493 /nfs/dbraw/zinc/09/64/93/717096493.db2.gz KNCYYMSYEJBIDG-UHFFFAOYSA-N 1 0 209.269 0.945 10 5 BCBERO CCCCCC[C@@H](O)C[N+](C)(C)C[C@@H](O)CO ZINC000038647502 717126011 /nfs/dbraw/zinc/12/60/11/717126011.db2.gz RLBHXEXHWOZGKV-CHWSQXEVSA-N 1 0 248.387 0.747 10 5 BCBERO CC(=O)NCCOCCC[N+](C)(C)C ZINC000005160218 717099367 /nfs/dbraw/zinc/09/93/67/717099367.db2.gz FTXJJWSBDNXQSL-UHFFFAOYSA-O 1 0 203.306 0.235 10 5 BCBERO Cc1cc(N(C)CC[NH3+])ncc1[N+](=O)[O-] ZINC000086003086 136211846 /nfs/dbraw/zinc/21/18/46/136211846.db2.gz RBALWABNBSBZNS-UHFFFAOYSA-N 1 0 210.237 0.693 10 5 BCBERO Cc1cc(OC[C@H](O)C[NH3+])ccc1[N+](=O)[O-] ZINC000022171135 178212264 /nfs/dbraw/zinc/21/22/64/178212264.db2.gz VIVRFPQIURUCOI-MRVPVSSYSA-N 1 0 226.232 0.602 10 5 BCBERO COc1ccc([C@H](N)C[NH3+])cc1[N+](=O)[O-] ZINC000072200783 343069787 /nfs/dbraw/zinc/06/97/87/343069787.db2.gz FMZQURVEPYDXIB-SSDOTTSWSA-N 1 0 211.221 0.562 10 5 BCBERO Cc1ccc([N+](=O)[O-])c(N(C)CC[NH3+])n1 ZINC000088036526 136284013 /nfs/dbraw/zinc/28/40/13/136284013.db2.gz QMIFQAFRYIYQIY-UHFFFAOYSA-N 1 0 210.237 0.693 10 5 BCBERO CC(=O)OC(C[N+](C)(C)C)OC(C)=O ZINC000215500788 349887221 /nfs/dbraw/zinc/88/72/21/349887221.db2.gz JIIWKEFDBAIFFA-UHFFFAOYSA-N 1 0 204.246 0.145 10 5 BCBERO C[NH2+]CCOCCNc1ccc([N+](=O)[O-])nc1 ZINC000600952429 343931534 /nfs/dbraw/zinc/93/15/34/343931534.db2.gz VWPDKZXADPHQSX-UHFFFAOYSA-N 1 0 240.263 0.638 10 5 BCBERO CCN(CC[NH3+])c1ncc([N+](=O)[O-])cn1 ZINC000165942224 344244317 /nfs/dbraw/zinc/24/43/17/344244317.db2.gz WOOHRCBQFPZUPL-UHFFFAOYSA-N 1 0 211.225 0.170 10 5 BCBERO C[C@@H]1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)C[NH2+]1 ZINC000600955656 344401744 /nfs/dbraw/zinc/40/17/44/344401744.db2.gz PKIXEXWNFWDUMU-SFYZADRCSA-N 1 0 237.263 0.937 10 5 BCBERO C[C@H]1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)C[NH2+]1 ZINC000600955657 344401856 /nfs/dbraw/zinc/40/18/56/344401856.db2.gz PKIXEXWNFWDUMU-YUMQZZPRSA-N 1 0 237.263 0.937 10 5 BCBERO O=[N+]([O-])c1ccc(NC2=[NH+]CCN2)cc1 ZINC000140259652 537847543 /nfs/dbraw/zinc/84/75/43/537847543.db2.gz PLZAMCXEDPBIOT-UHFFFAOYSA-N 1 0 206.205 0.966 10 5 BCBERO [NH3+]C[C@@H]1CN(c2ccccc2[N+](=O)[O-])CCO1 ZINC000158930340 346193355 /nfs/dbraw/zinc/19/33/55/346193355.db2.gz MBPKSPWSVVRSHT-SECBINFHSA-N 1 0 237.259 0.759 10 5 BCBERO CC[N@@H+]1CC[C@H](Nc2ccncc2[N+](=O)[O-])C1 ZINC000389410343 346253578 /nfs/dbraw/zinc/25/35/78/346253578.db2.gz RVFKTBBSYBGNSQ-VIFPVBQESA-N 1 0 236.275 0.918 10 5 BCBERO CN(CC(C)(C)[NH3+])c1ncc([N+](=O)[O-])cn1 ZINC000594693882 348101293 /nfs/dbraw/zinc/10/12/93/348101293.db2.gz XKUJVXFWPDNWGH-UHFFFAOYSA-N 1 0 225.252 0.558 10 5 BCBERO C[NH2+]C[C@@H](C)Nc1ncc([N+](=O)[O-])cn1 ZINC000596033744 348427944 /nfs/dbraw/zinc/42/79/44/348427944.db2.gz VSXBLFHJMQVSKV-ZCFIWIBFSA-N 1 0 211.225 0.405 10 5 BCBERO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H]([NH3+])C1 ZINC000050243675 180176511 /nfs/dbraw/zinc/17/65/11/180176511.db2.gz AWPNYXFHNQKCMC-SECBINFHSA-N 1 0 239.279 0.133 10 5 BCBERO Cc1nn([C@H]2CC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000051783760 180393275 /nfs/dbraw/zinc/39/32/75/180393275.db2.gz CMZLXNBUDOFZFI-QMMMGPOBSA-N 1 0 210.237 0.943 10 5 BCBERO C[C@@H]([NH3+])CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000063170285 351266136 /nfs/dbraw/zinc/26/61/36/351266136.db2.gz SCVVDTQZIKJRNB-SSDOTTSWSA-N 1 0 240.263 0.400 10 5 BCBERO O=[N+]([O-])c1ccc2ncnc(NC3C[NH2+]C3)c2c1 ZINC000090289407 363032692 /nfs/dbraw/zinc/03/26/92/363032692.db2.gz VBUYDWIILMVFQM-UHFFFAOYSA-N 1 0 245.242 0.922 10 5 BCBERO C[C@@H](C[NH3+])CNc1ncccc1[N+](=O)[O-] ZINC000420222286 192177083 /nfs/dbraw/zinc/17/70/83/192177083.db2.gz WGOICXSRQYFOGK-ZETCQYMHSA-N 1 0 210.237 0.997 10 5 BCBERO CN1C(=O)c2cc([N+](=O)[O-])ccc2[C@@H]1C[NH3+] ZINC000536954813 323964515 /nfs/dbraw/zinc/96/45/15/323964515.db2.gz MJEVQMPDGVYLDV-VIFPVBQESA-N 1 0 221.216 0.680 10 5 BCBERO O=C1NCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000610897268 358228839 /nfs/dbraw/zinc/22/88/39/358228839.db2.gz VWKNJERNXHPDGJ-LLVKDONJSA-N 1 0 249.270 0.615 10 5 BCBERO Cc1nc(N[C@H](C)[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000381619526 491162156 /nfs/dbraw/zinc/16/21/56/491162156.db2.gz RGBOHVLESVHMKV-NKWVEPMBSA-N 1 0 224.264 1.446 10 5 BCBERO [NH3+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000035018156 181355315 /nfs/dbraw/zinc/35/53/15/181355315.db2.gz RIKKTDKJVVGFLN-UHFFFAOYSA-N 1 0 239.187 0.221 10 5 BCBERO [NH3+]CC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000042205386 181355593 /nfs/dbraw/zinc/35/55/93/181355593.db2.gz BUMUHRAMHLXTGM-UHFFFAOYSA-N 1 0 213.168 0.631 10 5 BCBERO NC(=O)c1ccc(NCCC[NH3+])c([N+](=O)[O-])c1 ZINC000035330791 181383410 /nfs/dbraw/zinc/38/34/10/181383410.db2.gz XXUZLJKEDDKFDR-UHFFFAOYSA-N 1 0 238.247 0.454 10 5 BCBERO [NH3+]CCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000037902466 181392965 /nfs/dbraw/zinc/39/29/65/181392965.db2.gz YKODCOPYRUSCIC-SNAWJCMRSA-N 1 0 235.243 0.683 10 5 BCBERO CN(CCOCC[NH3+])c1ncccc1[N+](=O)[O-] ZINC000600956567 371714636 /nfs/dbraw/zinc/71/46/36/371714636.db2.gz VEXNNMMFXJIHAY-UHFFFAOYSA-N 1 0 240.263 0.401 10 5 BCBERO C[C@H]1C[C@H]([NH3+])CN1c1ncc([N+](=O)[O-])s1 ZINC000600962570 371716262 /nfs/dbraw/zinc/71/62/62/371716262.db2.gz GVDLWQSBNVFTIE-WDSKDSINSA-N 1 0 228.277 0.977 10 5 BCBERO O=[N+]([O-])c1cnc(NC2C[NH2+]C2)s1 ZINC000226781456 371744920 /nfs/dbraw/zinc/74/49/20/371744920.db2.gz KOWANBUQGRHNEO-UHFFFAOYSA-N 1 0 200.223 0.435 10 5 BCBERO CN(CCC[NH3+])c1ncccc1[N+](=O)[O-] ZINC000227749948 371929455 /nfs/dbraw/zinc/92/94/55/371929455.db2.gz LVUSMGSMUPKDMN-UHFFFAOYSA-N 1 0 210.237 0.775 10 5 BCBERO O=C(NC[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000133630449 182242442 /nfs/dbraw/zinc/24/24/42/182242442.db2.gz NFBDDJRLSJFXCX-VIFPVBQESA-N 1 0 249.270 0.934 10 5 BCBERO O=[N+]([O-])c1cnc(OC2CC[NH2+]CC2)nc1 ZINC000051865721 182958565 /nfs/dbraw/zinc/95/85/65/182958565.db2.gz YAPVZIIFXYWWEH-UHFFFAOYSA-N 1 0 224.220 0.516 10 5 BCBERO NCC(F)(F)CNc1ccc([N+](=O)[O-])cn1 ZINC000164923032 384334838 /nfs/dbraw/zinc/33/48/38/384334838.db2.gz VJKNNESTOMYJHT-UHFFFAOYSA-N 1 0 232.190 0.996 10 5 BCBERO [NH3+][C@@]1(c2ccccc2[N+](=O)[O-])C[C@@H](O)C1 ZINC000536957869 384806544 /nfs/dbraw/zinc/80/65/44/384806544.db2.gz FGVKLXBQNBCYNR-WKFQBHICSA-N 1 0 208.217 0.904 10 5 BCBERO CCc1nn(C)c(NCCC[NH3+])c1[N+](=O)[O-] ZINC000085020632 385017997 /nfs/dbraw/zinc/01/79/97/385017997.db2.gz BIPHCYFOVAIVKJ-UHFFFAOYSA-N 1 0 227.268 0.651 10 5 BCBERO [NH3+][C@H]1CCn2c1nc1ccc([N+](=O)[O-])cc1c2=O ZINC000072266459 385144810 /nfs/dbraw/zinc/14/48/10/385144810.db2.gz PDXZQDWZOUHEPE-QMMMGPOBSA-N 1 0 246.226 0.708 10 5 BCBERO [NH3+]C[C@@H]1CCCN1c1ncccc1[N+](=O)[O-] ZINC000095072593 388758583 /nfs/dbraw/zinc/75/85/83/388758583.db2.gz ITBKSVDPLUQZLH-QMMMGPOBSA-N 1 0 222.248 0.917 10 5 BCBERO C[C@H]1CN(c2cc([N+](=O)[O-])ccn2)CC[NH2+]1 ZINC000052783572 132362456 /nfs/dbraw/zinc/36/24/56/132362456.db2.gz VMUHWDHQIDLPNI-QMMMGPOBSA-N 1 0 222.248 0.788 10 5 BCBERO C[C@H]1CN(c2ccc([N+](=O)[O-])nc2)C[C@H]1[NH3+] ZINC000261533390 135164763 /nfs/dbraw/zinc/16/47/63/135164763.db2.gz HTPIRXOKGKVELZ-IONNQARKSA-N 1 0 222.248 0.773 10 5 BCBERO C[NH2+][C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000261564175 135206022 /nfs/dbraw/zinc/20/60/22/135206022.db2.gz XNYFILVETNPJOG-ZETCQYMHSA-N 1 0 240.263 0.271 10 5 BCBERO CC[NH2+][C@H](C)CNc1ncc([N+](=O)[O-])s1 ZINC000387617921 410004280 /nfs/dbraw/zinc/00/42/80/410004280.db2.gz AZBSJEOOROEIEY-ZCFIWIBFSA-N 1 0 230.293 1.461 10 5 BCBERO CC[NH+](CC)C[C@@H](O)Cn1ccnc1[N+](=O)[O-] ZINC000005501911 169786980 /nfs/dbraw/zinc/78/69/80/169786980.db2.gz PUYVBJPMTDIJSY-SECBINFHSA-N 1 0 242.279 0.494 10 5 BCBERO Cc1nc(N[C@H](C)CC[NH3+])ccc1[N+](=O)[O-] ZINC000336645722 411750904 /nfs/dbraw/zinc/75/09/04/411750904.db2.gz DDWCPVIVHYLWCO-SSDOTTSWSA-N 1 0 224.264 1.447 10 5 BCBERO C[C@@H](C[NH3+])CNc1ncc([N+](=O)[O-])s1 ZINC000420220386 411818328 /nfs/dbraw/zinc/81/83/28/411818328.db2.gz SIHHAQJSFNYWIR-YFKPBYRVSA-N 1 0 216.266 1.058 10 5 BCBERO C[NH2+]C[C@H](C)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000596031160 412292400 /nfs/dbraw/zinc/29/24/00/412292400.db2.gz APSGWGOJSRNSRH-ZETCQYMHSA-N 1 0 224.264 1.318 10 5 BCBERO CCc1nn(C)c(N[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000091560492 172039572 /nfs/dbraw/zinc/03/95/72/172039572.db2.gz ZECONQFELIRGCL-ZETCQYMHSA-N 1 0 239.279 0.665 10 5 BCBERO C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000019864776 173365530 /nfs/dbraw/zinc/36/55/30/173365530.db2.gz BEJVTJIPORUOAE-SECBINFHSA-N 1 0 226.232 0.554 10 5 BCBERO C[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])o2)o1 ZINC000050615475 173398151 /nfs/dbraw/zinc/39/81/51/173398151.db2.gz WPUNSEXTBIUYRE-UHFFFAOYSA-N 1 0 224.176 0.957 10 5 BCBERO CO[C@H]1C[NH2+]C[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000036268257 174899614 /nfs/dbraw/zinc/89/96/14/174899614.db2.gz ZGKFSLFSINMBCY-ONGXEEELSA-N 1 0 237.259 0.994 10 5 BCBERO COc1cc([N+](=O)[O-])ccc1OC1C[NH2+]C1 ZINC000054931738 175017476 /nfs/dbraw/zinc/01/74/76/175017476.db2.gz SWANEHOFMPMJSG-UHFFFAOYSA-N 1 0 224.216 0.954 10 5 BCBERO COc1ccc([C@H]([NH3+])CCO)cc1[N+](=O)[O-] ZINC000044233137 175191791 /nfs/dbraw/zinc/19/17/91/175191791.db2.gz MQHWIQSHYASDAT-MRVPVSSYSA-N 1 0 226.232 0.986 10 5 BCBERO COc1ccc([N+](=O)[O-])cc1OC[C@H](O)C[NH3+] ZINC000022222680 175200823 /nfs/dbraw/zinc/20/08/23/175200823.db2.gz JSSWBJJGCQYBNO-MRVPVSSYSA-N 1 0 242.231 0.302 10 5 BCBERO C[C@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[NH2+]1 ZINC000052783477 177275836 /nfs/dbraw/zinc/27/58/36/177275836.db2.gz JAADDEUETSZLSV-ZETCQYMHSA-N 1 0 225.252 0.126 10 5 BCBERO C[NH2+][C@H](C)CNc1c([N+](=O)[O-])ncn1C ZINC000261534920 536404446 /nfs/dbraw/zinc/40/44/46/536404446.db2.gz NKKUZJYXWCAJIM-ZCFIWIBFSA-N 1 0 213.241 0.348 10 5 BCBERO C[C@H]([NH3+])CNc1ccc([N+](=O)[O-])c2nonc21 ZINC000111302561 588741623 /nfs/dbraw/zinc/74/16/23/588741623.db2.gz CFZPRCKOMQEIMX-YFKPBYRVSA-N 1 0 237.219 0.890 10 5 BCBERO CCn1c(C)nc([N+](=O)[O-])c1N(C)C[C@@H](C)[NH3+] ZINC000310531276 636265446 /nfs/dbraw/zinc/26/54/46/636265446.db2.gz ZBVBCUZXQVYZHZ-SSDOTTSWSA-N 1 0 241.295 0.903 10 5 BCBERO C[NH+](C)[C@@H]1CCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000170842803 642697025 /nfs/dbraw/zinc/69/70/25/642697025.db2.gz JSNPFMWUZZLQTJ-SECBINFHSA-N 1 0 239.279 0.385 10 5 BCBERO [NH3+]C[C@@H]1CCC[C@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000089092348 644534014 /nfs/dbraw/zinc/53/40/14/644534014.db2.gz XCERGFLYNMWYER-IONNQARKSA-N 1 0 237.263 0.924 10 5 BCBERO O=[N+]([O-])c1c(N2CC[NH2+]CC2)nc2ccccn21 ZINC000096134260 644798823 /nfs/dbraw/zinc/79/88/23/644798823.db2.gz WRUZTVLZZMQMIY-UHFFFAOYSA-N 1 0 247.258 0.652 10 5 BCBERO NC(=O)C1CC([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000716729802 712571105 /nfs/dbraw/zinc/57/11/05/712571105.db2.gz BMOXKYFSOUWPPG-UHFFFAOYSA-N 1 0 249.270 0.948 10 5 BCBERO CSCC[C@H](N)C(=O)OCC[N+](C)(C)C ZINC000113643812 717149616 /nfs/dbraw/zinc/14/96/16/717149616.db2.gz MHKXYKMQSTUWFM-VIFPVBQESA-N 1 0 235.373 0.316 10 5 BCBERO C[N+](C)(C)CCOC(=O)NN1CCCCC1 ZINC000006068103 717103459 /nfs/dbraw/zinc/10/34/59/717103459.db2.gz RHFHILMFVGCCSV-UHFFFAOYSA-O 1 0 230.332 0.820 10 5 BCBERO CCC(=O)O[C@@H](C)C(=O)OCC[N+](C)(C)C ZINC000033825002 717122053 /nfs/dbraw/zinc/12/20/53/717122053.db2.gz QEFPIERSVCYQQN-VIFPVBQESA-N 1 0 232.300 0.578 10 5 BCBERO C[N+]1(CCNC(=O)c2ccco2)CCOCC1 ZINC000059181800 717131011 /nfs/dbraw/zinc/13/10/11/717131011.db2.gz NXFZKUKEZKJEKU-UHFFFAOYSA-O 1 0 239.295 0.486 10 5 BCBERO O=[N+]([O-])c1cnc(NC[C@H]2CCCC[NH2+]2)nc1 ZINC000044493153 345095811 /nfs/dbraw/zinc/09/58/11/345095811.db2.gz DWCHEZAENIHPPE-MRVPVSSYSA-N 1 0 237.263 0.939 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCCC[NH2+]1 ZINC000044493292 345095816 /nfs/dbraw/zinc/09/58/16/345095816.db2.gz ZJSPNVAMXOPZDK-MRVPVSSYSA-N 1 0 239.279 0.882 10 5 BCBERO [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[N+](=O)[O-] ZINC000138456711 345770724 /nfs/dbraw/zinc/77/07/24/345770724.db2.gz WPFTULYJQDDXAM-VHSXEESVSA-N 1 0 210.233 0.194 10 5 BCBERO C[C@H]([NH3+])[C@H](C)Nc1ncc([N+](=O)[O-])cn1 ZINC000381800820 346442014 /nfs/dbraw/zinc/44/20/14/346442014.db2.gz UFNPNMCVCJWVQE-WDSKDSINSA-N 1 0 211.225 0.532 10 5 BCBERO C[NH2+]C[C@@H](C)N=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000596032916 348427339 /nfs/dbraw/zinc/42/73/39/348427339.db2.gz PXWFHDKDQHQFGM-SSDOTTSWSA-N 1 0 249.274 0.913 10 5 BCBERO C[NH2+]C[C@@H](C)Nc1c([N+](=O)[O-])ncn1C ZINC000596033154 348428159 /nfs/dbraw/zinc/42/81/59/348428159.db2.gz RDNCIXGQFPFHJG-ZCFIWIBFSA-N 1 0 213.241 0.348 10 5 BCBERO Cc1nn(C)c(N2CCC[NH2+]CC2)c1[N+](=O)[O-] ZINC000036748919 180354566 /nfs/dbraw/zinc/35/45/66/180354566.db2.gz QIEJMWRHMKCCJV-UHFFFAOYSA-N 1 0 239.279 0.436 10 5 BCBERO Cc1nn(C)c(NC[C@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000053255328 180357830 /nfs/dbraw/zinc/35/78/30/180357830.db2.gz ZECQQIDLEXBWJV-MRVPVSSYSA-N 1 0 239.279 0.801 10 5 BCBERO Cc1nn(CC[NH+](C)C)c(N)c1[N+](=O)[O-] ZINC000054433461 180387608 /nfs/dbraw/zinc/38/76/08/180387608.db2.gz GWIVWRCUBBSDRH-UHFFFAOYSA-N 1 0 213.241 0.244 10 5 BCBERO C[C@H](C[NH3+])N(C)c1ccc([N+](=O)[O-])nc1 ZINC000383023673 351166548 /nfs/dbraw/zinc/16/65/48/351166548.db2.gz VBISTDSKXPTRJN-SSDOTTSWSA-N 1 0 210.237 0.773 10 5 BCBERO O=[N+]([O-])c1cnc(NC[C@H]2CCC[NH2+]C2)nc1 ZINC000044502863 352653555 /nfs/dbraw/zinc/65/35/55/352653555.db2.gz JZVDBRUAQMGINB-QMMMGPOBSA-N 1 0 237.263 0.796 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000115339638 180773459 /nfs/dbraw/zinc/77/34/59/180773459.db2.gz MJMNUDNEAHHYMV-HTQZYQBOSA-N 1 0 239.279 0.868 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1N[C@H](CC[NH3+])C(F)F ZINC000383347549 352747428 /nfs/dbraw/zinc/74/74/28/352747428.db2.gz AAPPIZLVKWUQRB-RXMQYKEDSA-N 1 0 249.221 0.723 10 5 BCBERO COc1cc([N+](=O)[O-])ccc1NC1=[NH+]CCN1 ZINC000675072582 538503061 /nfs/dbraw/zinc/50/30/61/538503061.db2.gz JQSZARNCNIBDKB-UHFFFAOYSA-N 1 0 236.231 0.975 10 5 BCBERO O=C1NCCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000050394706 358726532 /nfs/dbraw/zinc/72/65/32/358726532.db2.gz SPGLBYBZKPIFTH-LLVKDONJSA-N 1 0 249.270 0.963 10 5 BCBERO [NH3+]CCCNc1ccc([N+](=O)[O-])c2nonc21 ZINC000035663896 181383114 /nfs/dbraw/zinc/38/31/14/181383114.db2.gz PRCSVUGMJFDTLD-UHFFFAOYSA-N 1 0 237.219 0.892 10 5 BCBERO CN(CCC[NH3+])c1c([N+](=O)[O-])ncn1C ZINC000227750408 371929374 /nfs/dbraw/zinc/92/93/74/371929374.db2.gz PGJNAHMVCFJLGS-UHFFFAOYSA-N 1 0 213.241 0.113 10 5 BCBERO O=C(NCCc1ccc([N+](=O)[O-])cc1)C1C[NH2+]C1 ZINC000091408969 182203048 /nfs/dbraw/zinc/20/30/48/182203048.db2.gz PEFPWZSJZCAIED-UHFFFAOYSA-N 1 0 249.270 0.473 10 5 BCBERO O=C(N[C@@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000052092909 182303998 /nfs/dbraw/zinc/30/39/98/182303998.db2.gz FKYNVJWPHHCUMW-ZCFIWIBFSA-N 1 0 224.220 0.015 10 5 BCBERO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)C[NH3+] ZINC000085022548 385017403 /nfs/dbraw/zinc/01/74/03/385017403.db2.gz UUTMIYOIFIFVES-LURJTMIESA-N 1 0 227.268 0.879 10 5 BCBERO O=[N+]([O-])c1cnc(N[C@@H]2CC[NH2+]C2)s1 ZINC000226779617 385050762 /nfs/dbraw/zinc/05/07/62/385050762.db2.gz VPXVCIOJNZRHDA-RXMQYKEDSA-N 1 0 214.250 0.825 10 5 BCBERO C[C@H]1CN(c2ccc([N+](=O)[O-])cn2)C[C@H]1[NH3+] ZINC000261533903 135165589 /nfs/dbraw/zinc/16/55/89/135165589.db2.gz LAPSJOJEABATDT-IONNQARKSA-N 1 0 222.248 0.773 10 5 BCBERO C[C@H]1[C@H]([NH3+])CCN1c1ccc([N+](=O)[O-])cn1 ZINC000261579936 135220370 /nfs/dbraw/zinc/22/03/70/135220370.db2.gz MPLOLXRVTGTYCF-IONNQARKSA-N 1 0 222.248 0.916 10 5 BCBERO C[C@@H]1[C@@H]([NH3+])CCN1c1ccc([N+](=O)[O-])nc1 ZINC000261592071 135232625 /nfs/dbraw/zinc/23/26/25/135232625.db2.gz VSYXDHXBZMJKPL-APPZFPTMSA-N 1 0 222.248 0.916 10 5 BCBERO [NH3+]C[C@H]1CCC[C@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000089092346 135528929 /nfs/dbraw/zinc/52/89/29/135528929.db2.gz XCERGFLYNMWYER-VXNVDRBHSA-N 1 0 237.263 0.924 10 5 BCBERO CC[NH2+]CCNc1c([N+](=O)[O-])c(CC)nn1C ZINC000091561322 170116608 /nfs/dbraw/zinc/11/66/08/170116608.db2.gz HEGWRYYGOCVRNI-UHFFFAOYSA-N 1 0 241.295 0.912 10 5 BCBERO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC[NH2+]C1 ZINC000091557208 172248853 /nfs/dbraw/zinc/24/88/53/172248853.db2.gz VNJFQNMLDRUOKY-QMMMGPOBSA-N 1 0 239.279 0.893 10 5 BCBERO CN1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])o2)C1 ZINC000042545669 173153509 /nfs/dbraw/zinc/15/35/09/173153509.db2.gz CBXXWGLJHJJHTG-QMMMGPOBSA-N 1 0 225.248 0.982 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1N[C@H]1CC[N@H+](C)C1 ZINC000042375217 173153798 /nfs/dbraw/zinc/15/37/98/173153798.db2.gz FNNNYYCSPHODNM-ZETCQYMHSA-N 1 0 225.252 0.444 10 5 BCBERO CNC(=O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000035648895 173277491 /nfs/dbraw/zinc/27/74/91/173277491.db2.gz DXOGVUHQWNMAIP-UHFFFAOYSA-N 1 0 237.259 0.739 10 5 BCBERO CNC(=O)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037668582 173303062 /nfs/dbraw/zinc/30/30/62/173303062.db2.gz BXAJMAHASZFGMQ-QMMMGPOBSA-N 1 0 237.259 0.819 10 5 BCBERO COc1cc(NCC[NH3+])ccc1[N+](=O)[O-] ZINC000059161219 175002480 /nfs/dbraw/zinc/00/24/80/175002480.db2.gz QNPRMXVAMNFDRN-UHFFFAOYSA-N 1 0 211.221 0.974 10 5 BCBERO C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[NH2+]1 ZINC000052783476 176319289 /nfs/dbraw/zinc/31/92/89/176319289.db2.gz JAADDEUETSZLSV-SSDOTTSWSA-N 1 0 225.252 0.126 10 5 BCBERO C[C@H]1C[C@@]2(C[C@H](C[N+](C)(C)C)OC2=O)C(=O)O1 ZINC000005752158 177352565 /nfs/dbraw/zinc/35/25/65/177352565.db2.gz KMLDFWXPPAXUIY-YGOYTEALSA-N 1 0 242.295 0.330 10 5 BCBERO C[C@H]1[NH2+]CCC[C@H]1Nc1c([N+](=O)[O-])ncn1C ZINC000229595683 177396605 /nfs/dbraw/zinc/39/66/05/177396605.db2.gz XDVDFDVYHHTMGI-HTQZYQBOSA-N 1 0 239.279 0.881 10 5 BCBERO COc1ccc([N+](=O)[O-])c([C@@]2([NH3+])C[C@H](O)C2)c1 ZINC000536957499 323968934 /nfs/dbraw/zinc/96/89/34/323968934.db2.gz DOTQYIBHRHCPTN-DGFRNANFSA-N 1 0 238.243 0.912 10 5 BCBERO CCc1nn(C)c(NC[C@H](C)[NH2+]C)c1[N+](=O)[O-] ZINC000261564264 536182068 /nfs/dbraw/zinc/18/20/68/536182068.db2.gz XQMCLXAECGJTHC-ZETCQYMHSA-N 1 0 241.295 0.911 10 5 BCBERO Cc1nc(N(C)C2C[NH2+]C2)ccc1[N+](=O)[O-] ZINC000124148104 589950913 /nfs/dbraw/zinc/95/09/13/589950913.db2.gz BWCUCPZZNLWJOL-UHFFFAOYSA-N 1 0 222.248 0.706 10 5 BCBERO COC(=O)c1ccc([N+](=O)[O-])c(NCC[NH3+])c1 ZINC000134354782 591921081 /nfs/dbraw/zinc/92/10/81/591921081.db2.gz YOJZAKJXPRPQOK-UHFFFAOYSA-N 1 0 239.231 0.752 10 5 BCBERO CCN(c1c([N+](=O)[O-])ncn1C)[C@@H]1CC[NH2+]C1 ZINC000071314290 643123893 /nfs/dbraw/zinc/12/38/93/643123893.db2.gz IFEFWYFBCVFERL-MRVPVSSYSA-N 1 0 239.279 0.517 10 5 BCBERO C[C@@H]1C[NH2+][C@@H](C)CN1c1c([N+](=O)[O-])ncn1C ZINC000086471304 644140825 /nfs/dbraw/zinc/14/08/25/644140825.db2.gz BTADGJZRFHODKL-JGVFFNPUSA-N 1 0 239.279 0.515 10 5 BCBERO Cn1ncc([N+](=O)[O-])c1N1CC[C@H](C[NH3+])C1 ZINC000091691079 644637065 /nfs/dbraw/zinc/63/70/65/644637065.db2.gz NYFRMINWWUEYLS-SSDOTTSWSA-N 1 0 225.252 0.113 10 5 BCBERO CC1(C)C[NH2+]C[C@@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000721858115 711791738 /nfs/dbraw/zinc/79/17/38/711791738.db2.gz CRPRSIKZAXIQCW-QMMMGPOBSA-N 1 0 237.263 0.795 10 5 BCBERO CCN(CC)C(=O)CCN[N+](C)(C)C ZINC000039190600 717126476 /nfs/dbraw/zinc/12/64/76/717126476.db2.gz NKGRDRUVKCSSQI-UHFFFAOYSA-N 1 0 202.322 0.456 10 5 BCBERO C[C@@H]1C[C@]2(C[C@@H](C[N+](C)(C)C)OC2=O)C(=O)O1 ZINC000001844993 717090105 /nfs/dbraw/zinc/09/01/05/717090105.db2.gz KMLDFWXPPAXUIY-PTRXPTGYSA-N 1 0 242.295 0.330 10 5 BCBERO c1csc(C[N+]23CN4CN(CN(C4)C2)C3)c1 ZINC000019319351 717112877 /nfs/dbraw/zinc/11/28/77/717112877.db2.gz OAALNGCDPATTNQ-UHFFFAOYSA-N 1 0 237.352 0.757 10 5 BCBERO C[N+](C)(C)Cc1ccc(S(N)(=O)=O)cc1 ZINC000033902866 717123631 /nfs/dbraw/zinc/12/36/31/717123631.db2.gz FMLBAQUWSXXOOW-UHFFFAOYSA-N 1 0 229.325 0.540 10 5 BCBERO Cc1cc(NC(=O)C[NH3+])ccc1[N+](=O)[O-] ZINC000043570232 178131030 /nfs/dbraw/zinc/13/10/30/178131030.db2.gz VSSAALKFVGTQBB-UHFFFAOYSA-N 1 0 209.205 0.800 10 5 BCBERO COc1cc(N(C)CC[NH3+])ccc1[N+](=O)[O-] ZINC000082523603 136221669 /nfs/dbraw/zinc/22/16/69/136221669.db2.gz BQNFQSYJKQPKQS-UHFFFAOYSA-N 1 0 225.248 0.998 10 5 BCBERO Cc1cc([N+](=O)[O-])nn1CSCC[NH3+] ZINC000002538340 178274967 /nfs/dbraw/zinc/27/49/67/178274967.db2.gz YHXINWXLKFBYSH-UHFFFAOYSA-N 1 0 216.266 0.749 10 5 BCBERO Cc1ccc(C(=O)N(C)C2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000090289767 178376071 /nfs/dbraw/zinc/37/60/71/178376071.db2.gz VMHJWOKIGZBDQD-UHFFFAOYSA-N 1 0 249.270 0.947 10 5 BCBERO Cc1nc(NC2C[NH2+]C2)ccc1[N+](=O)[O-] ZINC000124147888 398314054 /nfs/dbraw/zinc/31/40/54/398314054.db2.gz RLTZIXWMJQDHIX-UHFFFAOYSA-N 1 0 208.221 0.682 10 5 BCBERO C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)C[C@H]1C[NH3+] ZINC000600960218 344019487 /nfs/dbraw/zinc/01/94/87/344019487.db2.gz BTHJZDDJMDPNDP-HTQZYQBOSA-N 1 0 239.279 0.359 10 5 BCBERO CC[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000389200531 343306462 /nfs/dbraw/zinc/30/64/62/343306462.db2.gz YPEJOGTWQOWNIA-QMMMGPOBSA-N 1 0 237.263 0.891 10 5 BCBERO C[C@@H]([NH3+])[C@H](C)Nc1c([N+](=O)[O-])ncn1C ZINC000381734600 344582629 /nfs/dbraw/zinc/58/26/29/344582629.db2.gz LIPBEMSFEANLTN-RITPCOANSA-N 1 0 213.241 0.476 10 5 BCBERO C[C@H]1C[C@H]([NH3+])CN1c1ncccc1[N+](=O)[O-] ZINC000600962949 344854979 /nfs/dbraw/zinc/85/49/79/344854979.db2.gz PNTKSJCELUILKW-YUMQZZPRSA-N 1 0 222.248 0.916 10 5 BCBERO O=[N+]([O-])c1cccnc1NC[C@H]1COCC[NH2+]1 ZINC000236413765 346237959 /nfs/dbraw/zinc/23/79/59/346237959.db2.gz UUHVKTJWTBLPLG-QMMMGPOBSA-N 1 0 238.247 0.390 10 5 BCBERO O=[N+]([O-])c1ccc(NC[C@@H]2COCC[NH2+]2)nc1 ZINC000236421836 346239704 /nfs/dbraw/zinc/23/97/04/346239704.db2.gz ZTIIERIVPGXJKP-MRVPVSSYSA-N 1 0 238.247 0.390 10 5 BCBERO COc1ccc(OC[C@@H](O)C[NH3+])c([N+](=O)[O-])c1 ZINC000022216588 187420013 /nfs/dbraw/zinc/42/00/13/187420013.db2.gz ORHIGLUANGINKF-ZETCQYMHSA-N 1 0 242.231 0.302 10 5 BCBERO NC(=O)c1ccc(NC2C[NH2+]C2)c([N+](=O)[O-])c1 ZINC000090289401 363032332 /nfs/dbraw/zinc/03/23/32/363032332.db2.gz OTCUSCDBECWOQH-UHFFFAOYSA-N 1 0 236.231 0.077 10 5 BCBERO C[C@H]1C[C@@H]([NH3+])CN1c1ncc([N+](=O)[O-])cn1 ZINC000230538928 351970801 /nfs/dbraw/zinc/97/08/01/351970801.db2.gz VODSCXBSAJUJLY-NKWVEPMBSA-N 1 0 223.236 0.311 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1NCC[C@H]1CC[NH2+]C1 ZINC000110798645 180773182 /nfs/dbraw/zinc/77/31/82/180773182.db2.gz MVDPCODVTMMNRT-MRVPVSSYSA-N 1 0 239.279 0.740 10 5 BCBERO C[C@@H](C[NH3+])CNc1c([N+](=O)[O-])ncn1C ZINC000420209950 192176497 /nfs/dbraw/zinc/17/64/97/192176497.db2.gz CNYIRBNODAFQDC-LURJTMIESA-N 1 0 213.241 0.335 10 5 BCBERO O=[N+]([O-])c1ccc(N2CCC[NH2+]CC2)cn1 ZINC000019868157 355353494 /nfs/dbraw/zinc/35/34/94/355353494.db2.gz GRBROCTUIONENR-UHFFFAOYSA-N 1 0 222.248 0.790 10 5 BCBERO C[C@@H](C[NH3+])CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000420220315 192193797 /nfs/dbraw/zinc/19/37/97/192193797.db2.gz SCAFOCNGMKRZLK-ZETCQYMHSA-N 1 0 249.274 0.900 10 5 BCBERO O=[N+]([O-])c1ccc(NC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000420250076 192187185 /nfs/dbraw/zinc/18/71/85/192187185.db2.gz JMWKWHNUNGPXIR-KWQFWETISA-N 1 0 237.259 0.587 10 5 BCBERO COc1ccc([N+](=O)[O-])c(C2([NH3+])CC(O)C2)c1 ZINC000675058410 538481216 /nfs/dbraw/zinc/48/12/16/538481216.db2.gz DOTQYIBHRHCPTN-UHFFFAOYSA-N 1 0 238.243 0.912 10 5 BCBERO CN(c1ncccc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000085258419 134272678 /nfs/dbraw/zinc/27/26/78/134272678.db2.gz KIKWQWRAVNLFRE-UHFFFAOYSA-N 1 0 208.221 0.398 10 5 BCBERO Cc1nn(C)c(NC2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000037116622 361677014 /nfs/dbraw/zinc/67/70/14/361677014.db2.gz BPEJVBKYLCBUGX-UHFFFAOYSA-N 1 0 239.279 0.801 10 5 BCBERO [NH3+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000074402352 181388453 /nfs/dbraw/zinc/38/84/53/181388453.db2.gz DRVAZYHYGLRTTC-UHFFFAOYSA-N 1 0 237.215 0.852 10 5 BCBERO [NH3+]C[C@@H](O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000019281562 181422076 /nfs/dbraw/zinc/42/20/76/181422076.db2.gz KDTSSXZVVURDPD-SECBINFHSA-N 1 0 236.231 0.264 10 5 BCBERO Cc1nn(C)c(N[C@@H]2CC[NH2+][C@H]2C)c1[N+](=O)[O-] ZINC000600957092 371714695 /nfs/dbraw/zinc/71/46/95/371714695.db2.gz MCPGGZFIQMJJPW-POYBYMJQSA-N 1 0 239.279 0.799 10 5 BCBERO C[C@H]1CN(c2c([N+](=O)[O-])ncn2C)C[C@H]1C[NH3+] ZINC000600960222 371716077 /nfs/dbraw/zinc/71/60/77/371716077.db2.gz BTHJZDDJMDPNDP-JGVFFNPUSA-N 1 0 239.279 0.359 10 5 BCBERO C[C@@H]1C[C@@H]([NH3+])CN1c1ccc([N+](=O)[O-])nc1 ZINC000600963299 371717411 /nfs/dbraw/zinc/71/74/11/371717411.db2.gz UQLVUNMUSJWMTQ-HTQZYQBOSA-N 1 0 222.248 0.916 10 5 BCBERO O=[N+]([O-])c1cnc(N[C@@H]2CC[NH2+]C2)nc1 ZINC000052094008 182959220 /nfs/dbraw/zinc/95/92/20/182959220.db2.gz ZGXPKAQSNSSFDT-ZCFIWIBFSA-N 1 0 209.209 0.159 10 5 BCBERO CC[NH2+]CCCNc1ncc([N+](=O)[O-])cn1 ZINC000040454969 384571058 /nfs/dbraw/zinc/57/10/58/384571058.db2.gz SISHMCBBUZIFSL-UHFFFAOYSA-N 1 0 225.252 0.796 10 5 BCBERO COc1ccc([N+](=O)[O-])c(NCC[NH3+])c1 ZINC000038762607 384883522 /nfs/dbraw/zinc/88/35/22/384883522.db2.gz NYEPVTVFVYEGIQ-UHFFFAOYSA-N 1 0 211.221 0.974 10 5 BCBERO Nc1ccc([C@@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC000054965010 384861089 /nfs/dbraw/zinc/86/10/89/384861089.db2.gz ORRKLIIVCXRSJK-JTQLQIEISA-N 1 0 223.232 0.838 10 5 BCBERO O=[N+]([O-])c1cnc(N[C@H]2CC[NH2+]C2)nc1 ZINC000052094009 385656900 /nfs/dbraw/zinc/65/69/00/385656900.db2.gz ZGXPKAQSNSSFDT-LURJTMIESA-N 1 0 209.209 0.159 10 5 BCBERO O=[N+]([O-])c1ccccc1NC[C@H]1C[NH2+]CCO1 ZINC000123310079 388651447 /nfs/dbraw/zinc/65/14/47/388651447.db2.gz CHWMBHUQOHEYSN-SECBINFHSA-N 1 0 237.259 0.995 10 5 BCBERO [NH3+][C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000040434945 132347563 /nfs/dbraw/zinc/34/75/63/132347563.db2.gz HOYDPTIKFSAADJ-QMMMGPOBSA-N 1 0 222.248 0.917 10 5 BCBERO [NH3+][C@H]1CCCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000041030343 132349327 /nfs/dbraw/zinc/34/93/27/132349327.db2.gz BGNYATDOHBWLRZ-ZETCQYMHSA-N 1 0 223.236 0.312 10 5 BCBERO C[C@@H]1[C@H]([NH3+])CCN1c1ncccc1[N+](=O)[O-] ZINC000261598993 135237079 /nfs/dbraw/zinc/23/70/79/135237079.db2.gz ZQVMJRKFFTWKCZ-HTQZYQBOSA-N 1 0 222.248 0.916 10 5 BCBERO CC[NH2+]C[C@H](O)COc1ccc([N+](=O)[O-])cc1 ZINC000036949047 170121865 /nfs/dbraw/zinc/12/18/65/170121865.db2.gz PFBGCACCPJLUPH-JTQLQIEISA-N 1 0 240.259 0.944 10 5 BCBERO Cc1cc(NC[C@@H](C)C[NH3+])ncc1[N+](=O)[O-] ZINC000420213821 411650500 /nfs/dbraw/zinc/65/05/00/411650500.db2.gz IEIZJDYOBFZGLW-ZETCQYMHSA-N 1 0 224.264 1.305 10 5 BCBERO CN(C(=O)C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000042228356 172307966 /nfs/dbraw/zinc/30/79/66/172307966.db2.gz MOTGJQVHAMSRAM-UHFFFAOYSA-N 1 0 209.205 0.516 10 5 BCBERO C[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000042547944 173156602 /nfs/dbraw/zinc/15/66/02/173156602.db2.gz DHKQASYGGSVWLE-ZETCQYMHSA-N 1 0 223.236 0.501 10 5 BCBERO C[NH2+]CCOc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000051866782 173357535 /nfs/dbraw/zinc/35/75/35/173357535.db2.gz AFLIYIAEMSHFHW-UHFFFAOYSA-N 1 0 239.231 0.292 10 5 BCBERO C[NH2+]C[C@@H](O)COc1cc([N+](=O)[O-])ccc1C ZINC000035678292 173365689 /nfs/dbraw/zinc/36/56/89/173365689.db2.gz WGUUHLLXKIXCEZ-SNVBAGLBSA-N 1 0 240.259 0.862 10 5 BCBERO C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1C ZINC000035283239 173376550 /nfs/dbraw/zinc/37/65/50/173376550.db2.gz ORULCZWXBDLISB-VIFPVBQESA-N 1 0 240.259 0.862 10 5 BCBERO C[C@@H](Oc1ccc([N+](=O)[O-])cc1C[NH3+])C(N)=O ZINC000035414528 176004724 /nfs/dbraw/zinc/00/47/24/176004724.db2.gz TWVYVYGQULJQPL-ZCFIWIBFSA-N 1 0 239.231 0.306 10 5 BCBERO O=[N+]([O-])c1ccc([C@H]2[NH2+]CC[C@@H]2O)cc1 ZINC000536952640 323959036 /nfs/dbraw/zinc/95/90/36/323959036.db2.gz DNCHOAPRXWJOPF-VHSXEESVSA-N 1 0 208.217 0.990 10 5 BCBERO CCc1nn(C)c(NC[C@@H](C)[NH2+]C)c1[N+](=O)[O-] ZINC000261564263 536181536 /nfs/dbraw/zinc/18/15/36/536181536.db2.gz XQMCLXAECGJTHC-SSDOTTSWSA-N 1 0 241.295 0.911 10 5 BCBERO C[C@H]([NH3+])CN(C)c1ncccc1[N+](=O)[O-] ZINC000308843526 631690022 /nfs/dbraw/zinc/69/00/22/631690022.db2.gz OGPPONHDTMNJQA-ZETCQYMHSA-N 1 0 210.237 0.773 10 5 BCBERO [NH3+][C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000041028615 641538802 /nfs/dbraw/zinc/53/88/02/641538802.db2.gz MPENJHUVTMANEN-ZETCQYMHSA-N 1 0 238.247 0.486 10 5 BCBERO CCN(c1ncc([N+](=O)[O-])cn1)[C@@H]1CC[NH2+]C1 ZINC000071314136 643125188 /nfs/dbraw/zinc/12/51/88/643125188.db2.gz VGFPLIYSQMAIMB-MRVPVSSYSA-N 1 0 237.263 0.573 10 5 BCBERO CCn1nc(C)c([N+](=O)[O-])c1NCC[NH2+]C ZINC000085022529 643680886 /nfs/dbraw/zinc/68/08/86/643680886.db2.gz QROHFLLHEWXELB-UHFFFAOYSA-N 1 0 227.268 0.751 10 5 BCBERO C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)[C@H](C)C[NH2+]1 ZINC000086471336 644140697 /nfs/dbraw/zinc/14/06/97/644140697.db2.gz BHKUEZYUJJIUBL-HTQZYQBOSA-N 1 0 237.263 0.571 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCC[C@H]1C[NH3+] ZINC000115339645 645623585 /nfs/dbraw/zinc/62/35/85/645623585.db2.gz MJMNUDNEAHHYMV-JGVFFNPUSA-N 1 0 239.279 0.868 10 5 BCBERO Cc1nn(C)c(N(C)C[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000309197679 711595500 /nfs/dbraw/zinc/59/55/00/711595500.db2.gz MFRUXCWNFVVILL-LURJTMIESA-N 1 0 227.268 0.420 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1NCC1CC([NH3+])C1 ZINC000715086881 712507590 /nfs/dbraw/zinc/50/75/90/712507590.db2.gz ZJSDBGMTSZHNDH-UHFFFAOYSA-N 1 0 225.252 0.478 10 5 BCBERO CC(=O)SCC[N+]1(C)CCN(C)CC1 ZINC000059358754 717131476 /nfs/dbraw/zinc/13/14/76/717131476.db2.gz OZRWNEYMDQUTRE-UHFFFAOYSA-N 1 0 217.358 0.658 10 5 BCBERO CC(C)=CC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C ZINC000605696600 717186035 /nfs/dbraw/zinc/18/60/35/717186035.db2.gz KZNPYPZXHGETDD-SNVBAGLBSA-N 1 0 243.303 0.918 10 5 BCBERO C=C(C(=O)OCC[N+](C)(C)C)c1c[nH]cn1 ZINC000605700835 717186070 /nfs/dbraw/zinc/18/60/70/717186070.db2.gz PIMLAKZAANFYQP-UHFFFAOYSA-N 1 0 224.284 0.672 10 5 BCBERO CC(=O)O[C@H](C)CC(=O)OCC[N+](C)(C)C ZINC000001856016 717090536 /nfs/dbraw/zinc/09/05/36/717090536.db2.gz GFHRYNLINQGSDA-SECBINFHSA-N 1 0 232.300 0.578 10 5 BCBERO CN(C)C(=O)O[C@@H]1CCC[N+](C)(C)C1 ZINC000033856061 717122476 /nfs/dbraw/zinc/12/24/76/717122476.db2.gz DCHNOAGSWLKFGR-SECBINFHSA-N 1 0 201.290 0.923 10 5 BCBERO CN(c1ccc([N+](=O)[O-])cn1)C1C[NH2+]C1 ZINC000085258370 136211677 /nfs/dbraw/zinc/21/16/77/136211677.db2.gz NVEWWPDFPVZRTH-UHFFFAOYSA-N 1 0 208.221 0.398 10 5 BCBERO Cc1cc([N+](=O)[O-])cnc1N(C)CC[NH3+] ZINC000054419648 178273914 /nfs/dbraw/zinc/27/39/14/178273914.db2.gz BNTMOXRCDFPTHF-UHFFFAOYSA-N 1 0 210.237 0.693 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1NCC[NH2+]C1CC1 ZINC000107605961 398288074 /nfs/dbraw/zinc/28/80/74/398288074.db2.gz NDXQLSFZXXPSIE-UHFFFAOYSA-N 1 0 225.252 0.492 10 5 BCBERO N[C@H](C[NH3+])c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000072201147 343069473 /nfs/dbraw/zinc/06/94/73/343069473.db2.gz TTXWUGNAANUIHK-ZCFIWIBFSA-N 1 0 225.204 0.282 10 5 BCBERO N[C@@H](C[NH3+])c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000072201148 343069652 /nfs/dbraw/zinc/06/96/52/343069652.db2.gz TTXWUGNAANUIHK-LURJTMIESA-N 1 0 225.204 0.282 10 5 BCBERO COCC[NH2+]CCNc1ccc([N+](=O)[O-])cn1 ZINC000215529645 136277756 /nfs/dbraw/zinc/27/77/56/136277756.db2.gz CIMSTAGVGRMDFU-UHFFFAOYSA-N 1 0 240.263 0.638 10 5 BCBERO CCN(CC[NH3+])c1ncccc1[N+](=O)[O-] ZINC000165938130 344239902 /nfs/dbraw/zinc/23/99/02/344239902.db2.gz DOIYRKLRHNORDJ-UHFFFAOYSA-N 1 0 210.237 0.775 10 5 BCBERO O=[N+]([O-])c1c(NC2C[NH2+]C2)nc2sccn21 ZINC000085259402 344515067 /nfs/dbraw/zinc/51/50/67/344515067.db2.gz PXLXYXJGDFHDIR-UHFFFAOYSA-N 1 0 239.260 0.688 10 5 BCBERO O=[N+]([O-])c1ccc(NC[C@H]2COCC[NH2+]2)cn1 ZINC000236422213 346239218 /nfs/dbraw/zinc/23/92/18/346239218.db2.gz VWMQWVCRRHMUAR-VIFPVBQESA-N 1 0 238.247 0.390 10 5 BCBERO Cc1nn(C)c(N(C)CC(C)(C)[NH3+])c1[N+](=O)[O-] ZINC000594693894 348101000 /nfs/dbraw/zinc/10/10/00/348101000.db2.gz XXWOUEJHZQUBQN-UHFFFAOYSA-N 1 0 241.295 0.810 10 5 BCBERO C[NH2+]C[C@@H](C)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000596031768 348427402 /nfs/dbraw/zinc/42/74/02/348427402.db2.gz FMUYCMOCRMKVJB-ZCFIWIBFSA-N 1 0 227.268 0.657 10 5 BCBERO Cc1nn(C)c(N[C@H](C)CC[NH3+])c1[N+](=O)[O-] ZINC000309470714 180360050 /nfs/dbraw/zinc/36/00/50/180360050.db2.gz UDXSDBCTXBZWOR-ZCFIWIBFSA-N 1 0 227.268 0.786 10 5 BCBERO Cc1nn(C)c(N2CC[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC000052783498 180356130 /nfs/dbraw/zinc/35/61/30/180356130.db2.gz YMZUZWGIPPWMAT-SSDOTTSWSA-N 1 0 239.279 0.435 10 5 BCBERO Cc1nn(C)c(N[C@@H](C)CC[NH3+])c1[N+](=O)[O-] ZINC000309470713 180357980 /nfs/dbraw/zinc/35/79/80/180357980.db2.gz UDXSDBCTXBZWOR-LURJTMIESA-N 1 0 227.268 0.786 10 5 BCBERO CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@H](C)C[NH3+] ZINC000382976139 351120204 /nfs/dbraw/zinc/12/02/04/351120204.db2.gz QLYRBCBJMUMRHP-SSDOTTSWSA-N 1 0 241.295 0.903 10 5 BCBERO C[C@H](C[NH3+])N(C)c1ncc([N+](=O)[O-])s1 ZINC000382978887 351121350 /nfs/dbraw/zinc/12/13/50/351121350.db2.gz VBMTXZIKTPUEDJ-RXMQYKEDSA-N 1 0 216.266 0.835 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1N1CCCC[C@H]1C[NH3+] ZINC000044559395 352655552 /nfs/dbraw/zinc/65/55/52/352655552.db2.gz BAFLTOWKPJERCL-QMMMGPOBSA-N 1 0 239.279 0.646 10 5 BCBERO C[C@H](C[NH3+])CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000420220314 192193527 /nfs/dbraw/zinc/19/35/27/192193527.db2.gz SCAFOCNGMKRZLK-SSDOTTSWSA-N 1 0 249.274 0.900 10 5 BCBERO O=[N+]([O-])c1ccccc1NC[C@H]1C[NH2+]C[C@H]1O ZINC000420255221 192188466 /nfs/dbraw/zinc/18/84/66/192188466.db2.gz SMIMBALPWZOQPN-LDYMZIIASA-N 1 0 237.259 0.587 10 5 BCBERO COc1ccc([N+](=O)[O-])cc1NC1=[NH+]CCN1 ZINC000675073456 538505869 /nfs/dbraw/zinc/50/58/69/538505869.db2.gz YEDPAPRPGBYUNG-UHFFFAOYSA-N 1 0 236.231 0.975 10 5 BCBERO O=[N+]([O-])c1cnc(NCC[NH2+]C2CC2)nc1 ZINC000054267766 359760747 /nfs/dbraw/zinc/76/07/47/359760747.db2.gz XEHUVRGYQZGAKF-UHFFFAOYSA-N 1 0 223.236 0.549 10 5 BCBERO [NH3+]C1CC(NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000036256532 181340058 /nfs/dbraw/zinc/34/00/58/181340058.db2.gz GJJQDKXZIQXPDB-UHFFFAOYSA-N 1 0 224.220 0.142 10 5 BCBERO [NH3+]C1CC(Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000040454934 181340189 /nfs/dbraw/zinc/34/01/89/181340189.db2.gz NJUDKLSQLRXAPJ-UHFFFAOYSA-N 1 0 209.209 0.286 10 5 BCBERO [NH3+]C1CCC(n2cnc([N+](=O)[O-])n2)CC1 ZINC000055144729 181342520 /nfs/dbraw/zinc/34/25/20/181342520.db2.gz NXMWPKCYNQSEQF-UHFFFAOYSA-N 1 0 211.225 0.629 10 5 BCBERO [NH3+]CCNC(=O)c1cc([N+](=O)[O-])cn1C1CC1 ZINC000037902396 181395591 /nfs/dbraw/zinc/39/55/91/181395591.db2.gz SFRQTTMXYHJNNJ-UHFFFAOYSA-N 1 0 238.247 0.420 10 5 BCBERO [NH3+]CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000044428008 181395656 /nfs/dbraw/zinc/39/56/56/181395656.db2.gz NEFKYGVTCZUORP-UHFFFAOYSA-N 1 0 227.195 0.422 10 5 BCBERO CCN(CC[NH3+])c1c([N+](=O)[O-])nc(C)n1CC ZINC000310079621 370296182 /nfs/dbraw/zinc/29/61/82/370296182.db2.gz CFRIUWFTKSQORM-UHFFFAOYSA-N 1 0 241.295 0.905 10 5 BCBERO [NH3+][C@@H]1C[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000036233662 181600853 /nfs/dbraw/zinc/60/08/53/181600853.db2.gz OMSSPBCLODLASA-HTQZYQBOSA-N 1 0 221.216 0.424 10 5 BCBERO C[C@@H]1CC[C@@H](Nc2ncc([N+](=O)[O-])cn2)C[NH2+]1 ZINC000600955654 371714669 /nfs/dbraw/zinc/71/46/69/371714669.db2.gz PKIXEXWNFWDUMU-HTQZYQBOSA-N 1 0 237.263 0.937 10 5 BCBERO C[C@H]1C[C@@H]([NH3+])CN1c1ncc([N+](=O)[O-])s1 ZINC000600962567 371717288 /nfs/dbraw/zinc/71/72/88/371717288.db2.gz GVDLWQSBNVFTIE-NTSWFWBYSA-N 1 0 228.277 0.977 10 5 BCBERO CCn1nc(C)c([N+](=O)[O-])c1N(C)CCC[NH3+] ZINC000133829719 372119578 /nfs/dbraw/zinc/11/95/78/372119578.db2.gz DLNQQRWWFPOQPM-UHFFFAOYSA-N 1 0 241.295 0.905 10 5 BCBERO O=[N+]([O-])c1cnc(NC2CC[NH2+]CC2)nc1 ZINC000040454954 373274984 /nfs/dbraw/zinc/27/49/84/373274984.db2.gz NTHKVBKGLOZRGS-UHFFFAOYSA-N 1 0 223.236 0.549 10 5 BCBERO C[C@H](CC[NH3+])Nc1c([N+](=O)[O-])ncn1C ZINC000336665582 384252002 /nfs/dbraw/zinc/25/20/02/384252002.db2.gz DJZNCECNVCBKQX-ZCFIWIBFSA-N 1 0 213.241 0.478 10 5 BCBERO CN(c1ncccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000070896946 384375718 /nfs/dbraw/zinc/37/57/18/384375718.db2.gz AFLVOGXZCLEFSX-MRVPVSSYSA-N 1 0 222.248 0.788 10 5 BCBERO O=[N+]([O-])c1ccc([C@@H]2[NH2+]CC[C@H]2O)cc1 ZINC000536952641 384803188 /nfs/dbraw/zinc/80/31/88/384803188.db2.gz DNCHOAPRXWJOPF-ZJUUUORDSA-N 1 0 208.217 0.990 10 5 BCBERO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)C[NH3+] ZINC000309317272 385047540 /nfs/dbraw/zinc/04/75/40/385047540.db2.gz ODCOWLYFGWJSTG-LURJTMIESA-N 1 0 227.268 0.879 10 5 BCBERO [NH3+][C@H](CO)c1cc(F)ccc1[N+](=O)[O-] ZINC000072197876 385049211 /nfs/dbraw/zinc/04/92/11/385049211.db2.gz MQHNYQXPVIGQLJ-SSDOTTSWSA-N 1 0 200.169 0.726 10 5 BCBERO O=[N+]([O-])c1ccc(NC[C@@H]2C[NH2+]CCO2)cc1 ZINC000134268692 388396914 /nfs/dbraw/zinc/39/69/14/388396914.db2.gz WZPADKBCGFXTNS-NSHDSACASA-N 1 0 237.259 0.995 10 5 BCBERO Nc1ccc([C@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC000054965011 388594638 /nfs/dbraw/zinc/59/46/38/388594638.db2.gz ORRKLIIVCXRSJK-SNVBAGLBSA-N 1 0 223.232 0.838 10 5 BCBERO O=[N+]([O-])c1ccnc(N2CC[NH2+]CC2)c1 ZINC000034925388 132337040 /nfs/dbraw/zinc/33/70/40/132337040.db2.gz MIXDGCKFNRMARQ-UHFFFAOYSA-N 1 0 208.221 0.399 10 5 BCBERO [NH3+][C@@H]1CCCN(c2ccncc2[N+](=O)[O-])C1 ZINC000041030238 132349330 /nfs/dbraw/zinc/34/93/30/132349330.db2.gz JCZLXIODSRQUEA-MRVPVSSYSA-N 1 0 222.248 0.917 10 5 BCBERO C[C@H]1C[NH2+]CCN1c1ccc([N+](=O)[O-])cn1 ZINC000054375226 132364331 /nfs/dbraw/zinc/36/43/31/132364331.db2.gz HDUCHXGIUDFNEP-QMMMGPOBSA-N 1 0 222.248 0.788 10 5 BCBERO [NH3+]CCCNc1ncc([N+](=O)[O-])s1 ZINC000226766544 134370740 /nfs/dbraw/zinc/37/07/40/134370740.db2.gz LLUXOPKUGPZFDH-UHFFFAOYSA-N 1 0 202.239 0.812 10 5 BCBERO C[C@@H]1[C@@H]([NH3+])CCN1c1ccc([N+](=O)[O-])cn1 ZINC000261579934 135221029 /nfs/dbraw/zinc/22/10/29/135221029.db2.gz MPLOLXRVTGTYCF-APPZFPTMSA-N 1 0 222.248 0.916 10 5 BCBERO CCn1nc(C)c([N+](=O)[O-])c1N(C)CC[NH2+]C ZINC000091549782 172249063 /nfs/dbraw/zinc/24/90/63/172249063.db2.gz WGVNMANGAQRVJS-UHFFFAOYSA-N 1 0 241.295 0.775 10 5 BCBERO C[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000020362191 173325198 /nfs/dbraw/zinc/32/51/98/173325198.db2.gz UZMRTCXNKVOFQT-UHFFFAOYSA-N 1 0 223.232 0.777 10 5 BCBERO C[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000034979681 173334769 /nfs/dbraw/zinc/33/47/69/173334769.db2.gz XTLPWKWAFVFETR-UHFFFAOYSA-N 1 0 209.205 0.753 10 5 BCBERO C[NH2+]C[C@@H](O)COc1cc(F)ccc1[N+](=O)[O-] ZINC000019864781 173365547 /nfs/dbraw/zinc/36/55/47/173365547.db2.gz QSYHOZIVEYGUQN-MRVPVSSYSA-N 1 0 244.222 0.693 10 5 BCBERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH3+] ZINC000034979733 175018225 /nfs/dbraw/zinc/01/82/25/175018225.db2.gz AVJRERMQAAGJBT-UHFFFAOYSA-N 1 0 225.204 0.501 10 5 BCBERO C[C@@H]1CN(c2ncc([N+](=O)[O-])s2)CC[NH2+]1 ZINC000226766577 176320978 /nfs/dbraw/zinc/32/09/78/176320978.db2.gz FFFRTXPYOABSSV-ZCFIWIBFSA-N 1 0 228.277 0.849 10 5 BCBERO C[C@H]([NH3+])CC(=O)Nc1ccc(O)cc1[N+](=O)[O-] ZINC000037607475 176757576 /nfs/dbraw/zinc/75/75/76/176757576.db2.gz BWDUFJHZJFGVGD-LURJTMIESA-N 1 0 239.231 0.976 10 5 BCBERO C[C@H]1C[C@]2(C[C@H](C[N+](C)(C)C)OC2=O)C(=O)O1 ZINC000005752200 177388363 /nfs/dbraw/zinc/38/83/63/177388363.db2.gz KMLDFWXPPAXUIY-SBMIAAHKSA-N 1 0 242.295 0.330 10 5 BCBERO C[C@H]1[NH2+]CCC[C@@H]1Nc1c([N+](=O)[O-])ncn1C ZINC000229595670 177395019 /nfs/dbraw/zinc/39/50/19/177395019.db2.gz XDVDFDVYHHTMGI-SFYZADRCSA-N 1 0 239.279 0.881 10 5 BCBERO C[NH2+][C@H](C)CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000261564173 536400814 /nfs/dbraw/zinc/40/08/14/536400814.db2.gz XNYFILVETNPJOG-SSDOTTSWSA-N 1 0 240.263 0.271 10 5 BCBERO CCc1nn(C)c(N(C)C[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000310321008 632724586 /nfs/dbraw/zinc/72/45/86/632724586.db2.gz WVDDWWCLDLGRIM-SSDOTTSWSA-N 1 0 241.295 0.674 10 5 BCBERO CCc1nn(C)c(N(C)C[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000310321009 632724889 /nfs/dbraw/zinc/72/48/89/632724889.db2.gz WVDDWWCLDLGRIM-ZETCQYMHSA-N 1 0 241.295 0.674 10 5 BCBERO CCN(c1c([N+](=O)[O-])ncn1C)[C@H]1CC[NH2+]C1 ZINC000071314291 643125785 /nfs/dbraw/zinc/12/57/85/643125785.db2.gz IFEFWYFBCVFERL-QMMMGPOBSA-N 1 0 239.279 0.517 10 5 BCBERO C[C@@H]1C[NH2+]C[C@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000723788569 711537239 /nfs/dbraw/zinc/53/72/39/711537239.db2.gz JJIKWQCVISKQBK-SFYZADRCSA-N 1 0 237.263 0.652 10 5 BCBERO Cn1cnc([N+](=O)[O-])c1N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720829221 712868965 /nfs/dbraw/zinc/86/89/65/712868965.db2.gz WDECTVIWFPEGSY-SSDOTTSWSA-N 1 0 239.279 0.502 10 5 BCBERO