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0.984 10 5 ACBEHN CC(COC(=O)C1CCC1)[N+](=O)[O-] 308221989 573010218 /nfs/dbraw/zinc/01/02/18/573010218.db2.gz CMBKABDEZQGJBQ-LURJTMIESA-N 0 3 187.195 0.995 10 5 ACBEHN C[C@@H]([C@H]1CCCN1C)[N+](=O)[O-] 258595598 573222560 /nfs/dbraw/zinc/22/25/60/573222560.db2.gz ULEYETVVSGQYIC-NKWVEPMBSA-N 0 3 158.201 0.746 10 5 ACBEHN Cc1c([C@@H](N)CO)cccc1[N+](=O)[O-] 72191330 573792257 /nfs/dbraw/zinc/79/22/57/573792257.db2.gz YFEWVNTWNADDSI-QMMMGPOBSA-N 0 3 196.206 0.895 10 5 ACBEHN Cc1cccc([C@@H](N)CN)c1[N+](=O)[O-] 72200444 573798893 /nfs/dbraw/zinc/79/88/93/573798893.db2.gz DWAIXDZSZSUDOH-QMMMGPOBSA-N 0 3 195.222 0.862 10 5 ACBEHN Cc1cc([N+](=O)[O-])ccc1[C@@H](N)CO 72197786 573799015 /nfs/dbraw/zinc/79/90/15/573799015.db2.gz WPGQBTTUZIKTIO-VIFPVBQESA-N 0 3 196.206 0.895 10 5 ACBEHN Cc1cccc([C@@H](N)CO)c1[N+](=O)[O-] 72197774 573799299 /nfs/dbraw/zinc/79/92/99/573799299.db2.gz IOAFWXPFHHWBAG-QMMMGPOBSA-N 0 3 196.206 0.895 10 5 ACBEHN Cc1ccc([N+](=O)[O-])cc1[C@H](N)CO 72197779 573799458 /nfs/dbraw/zinc/79/94/58/573799458.db2.gz ADISPFSUHLIZGZ-SECBINFHSA-N 0 3 196.206 0.895 10 5 ACBEHN O=[N+]([O-])C1CCCOC1 84307883 573819565 /nfs/dbraw/zinc/81/95/65/573819565.db2.gz MZOPMSWJGGRPRP-RXMQYKEDSA-N 0 3 131.131 0.442 10 5 ACBEHN CC(C)(CN)[N+](=O)[O-] 101438423 573864287 /nfs/dbraw/zinc/86/42/87/573864287.db2.gz YPQQGPWKKSICKZ-UHFFFAOYSA-N 0 3 118.136 0.000 10 5 ACBEHN O=c1[n-]cc([N+](=O)[O-])c2c1C[NH2+]CC2 257905351 573931868 /nfs/dbraw/zinc/93/18/68/573931868.db2.gz ZJSXOEYGOKZCKS-UHFFFAOYSA-N 0 3 195.178 0.341 10 5 ACBEHN CC([C@@H]1CCCS1(=O)=O)[N+](=O)[O-] 257907556 573942665 /nfs/dbraw/zinc/94/26/65/573942665.db2.gz ZPQTYKIRMSGDIX-RITPCOANSA-N 0 3 193.224 0.229 10 5 ACBEHN CN[C@@H](CO)c1cccc([N+](=O)[O-])c1 211772480 573945478 /nfs/dbraw/zinc/94/54/78/573945478.db2.gz PGJPMZZAKOFZLM-VIFPVBQESA-N 0 3 196.206 0.848 10 5 ACBEHN Cc1ccnc([C@H](N)CN)c1[N+](=O)[O-] 104478895 574000850 /nfs/dbraw/zinc/00/08/50/574000850.db2.gz IMJJNQIOLVMDAZ-ZCFIWIBFSA-N 0 3 196.210 0.257 10 5 ACBEHN C[C@H](O)[C@@H](N)c1ccc([N+](=O)[O-])nc1 104497310 574014899 /nfs/dbraw/zinc/01/48/99/574014899.db2.gz WPTYYGUXWDLTJG-YLWLKBPMSA-N 0 3 197.194 0.370 10 5 ACBEHN C[C@](N)(CO)c1ccc([N+](=O)[O-])cn1 104499662 574016643 /nfs/dbraw/zinc/01/66/43/574016643.db2.gz AAUZZEXXQBPGKT-QMMMGPOBSA-N 0 3 197.194 0.156 10 5 ACBEHN C[C@@H](O)[C@H](N)c1ccc([N+](=O)[O-])nc1 104499665 574016841 /nfs/dbraw/zinc/01/68/41/574016841.db2.gz WPTYYGUXWDLTJG-XRGYYRRGSA-N 0 3 197.194 0.370 10 5 ACBEHN C[C@@](N)(CO)c1ccc([N+](=O)[O-])cn1 104499657 574017890 /nfs/dbraw/zinc/01/78/90/574017890.db2.gz AAUZZEXXQBPGKT-MRVPVSSYSA-N 0 3 197.194 0.156 10 5 ACBEHN CCCC(=O)OCC(C)[N+](=O)[O-] 163771542 673965422 /nfs/dbraw/zinc/96/54/22/673965422.db2.gz KFHAVEHPXUJOAM-ZCFIWIBFSA-N 0 3 175.184 0.995 10 5 ACBEHN CCCC(=O)OCC(C)[N+](=O)[O-] 163771620 673965912 /nfs/dbraw/zinc/96/59/12/673965912.db2.gz KFHAVEHPXUJOAM-LURJTMIESA-N 0 3 175.184 0.995 10 5 ACBEHN CC1(C)[C@@H](O)CCN1CC[N+](=O)[O-] 930530321 674053608 /nfs/dbraw/zinc/05/36/08/674053608.db2.gz RLTPVRWZLXNVCX-ZETCQYMHSA-N 0 3 188.227 0.108 10 5 ACBEHN CC1(C)[C@H](O)CCN1CC[N+](=O)[O-] 930530320 674052995 /nfs/dbraw/zinc/05/29/95/674052995.db2.gz RLTPVRWZLXNVCX-SSDOTTSWSA-N 0 3 188.227 0.108 10 5 ACBEHN CC1(C)OCC[C@H]1NCC[N+](=O)[O-] 930605685 674054498 /nfs/dbraw/zinc/05/44/98/674054498.db2.gz IIMBJXVAVWFCOJ-SSDOTTSWSA-N 0 3 188.227 0.420 10 5 ACBEHN CC1(C)OCC[C@@H]1NCC[N+](=O)[O-] 930605687 674054890 /nfs/dbraw/zinc/05/48/90/674054890.db2.gz IIMBJXVAVWFCOJ-ZETCQYMHSA-N 0 3 188.227 0.420 10 5 ACBEHN CN(CC[N+](=O)[O-])CC1CCC1 1308131823 1170185087 /nfs/dbraw/zinc/18/50/87/1170185087.db2.gz JUQKXSUKTYBJQC-UHFFFAOYSA-N 0 3 172.228 0.995 10 5 ACBEHN CCC([C@@H](C)OC(C)=O)[N+](=O)[O-] 38251319 571753436 /nfs/dbraw/zinc/75/34/36/571753436.db2.gz PNMIAXVWFQTJQI-IYSWYEEDSA-N 0 3 175.184 0.993 10 5 ACBEHN N[C@]1(Cl)C=CC=CC1[N+](=O)[O-] 144227291 571851358 /nfs/dbraw/zinc/85/13/58/571851358.db2.gz OEHBQEJTNLCJJM-NTSWFWBYSA-N 0 3 174.587 0.652 10 5 ACBEHN C[C@H](O)C([C@H]1CCCCO1)[N+](=O)[O-] 687806192 571862004 /nfs/dbraw/zinc/86/20/04/571862004.db2.gz NXSQJJZHOYKACF-RNJXMRFFSA-N 0 3 189.211 0.582 10 5 ACBEHN C[C@H](O)C([C@@H]1CCCCO1)[N+](=O)[O-] 687806191 571862430 /nfs/dbraw/zinc/86/24/30/571862430.db2.gz NXSQJJZHOYKACF-FXQIFTODSA-N 0 3 189.211 0.582 10 5 ACBEHN O=[N+]([O-])C1CN[C@@H]1c1ccccc1 687806476 571862564 /nfs/dbraw/zinc/86/25/64/571862564.db2.gz CLVNQGCBJAQOJY-RKDXNWHRSA-N 0 3 178.191 0.976 10 5 ACBEHN O=[N+]([O-])C1CN[C@H]1c1ccccc1 687806475 571862620 /nfs/dbraw/zinc/86/26/20/571862620.db2.gz CLVNQGCBJAQOJY-IUCAKERBSA-N 0 3 178.191 0.976 10 5 ACBEHN C[C@H](O)C([C@@H]1CCCCO1)[N+](=O)[O-] 687806190 571862626 /nfs/dbraw/zinc/86/26/26/571862626.db2.gz NXSQJJZHOYKACF-BIIVOSGPSA-N 0 3 189.211 0.582 10 5 ACBEHN O=[N+]([O-])C1CN[C@H]1c1ccccc1 687806471 571863394 /nfs/dbraw/zinc/86/33/94/571863394.db2.gz CLVNQGCBJAQOJY-BDAKNGLRSA-N 0 3 178.191 0.976 10 5 ACBEHN C[C@H](O)C([C@H]1CCCCO1)[N+](=O)[O-] 687806193 571863641 /nfs/dbraw/zinc/86/36/41/571863641.db2.gz NXSQJJZHOYKACF-XLPZGREQSA-N 0 3 189.211 0.582 10 5 ACBEHN CC[C@H](C[C@@H]1CNCCO1)[N+](=O)[O-] 144955967 571874372 /nfs/dbraw/zinc/87/43/72/571874372.db2.gz FNHXAABLBSEWNG-HTQZYQBOSA-N 0 3 188.227 0.420 10 5 ACBEHN CC(CO[C@H](C)CO)[N+](=O)[O-] 687806626 571883411 /nfs/dbraw/zinc/88/34/11/571883411.db2.gz SVZPTGONUXJYIX-PHDIDXHHSA-N 0 3 163.173 0.049 10 5 ACBEHN CC(CO[C@@H](C)CO)[N+](=O)[O-] 687806627 571884274 /nfs/dbraw/zinc/88/42/74/571884274.db2.gz SVZPTGONUXJYIX-RITPCOANSA-N 0 3 163.173 0.049 10 5 ACBEHN CC(CO[C@H](C)CO)[N+](=O)[O-] 687806625 571884366 /nfs/dbraw/zinc/88/43/66/571884366.db2.gz SVZPTGONUXJYIX-NTSWFWBYSA-N 0 3 163.173 0.049 10 5 ACBEHN CC(CO[C@@H](C)CO)[N+](=O)[O-] 687806628 571885551 /nfs/dbraw/zinc/88/55/51/571885551.db2.gz SVZPTGONUXJYIX-WDSKDSINSA-N 0 3 163.173 0.049 10 5 ACBEHN CC(C)(C)NC[C@](C)(CO)[N+](=O)[O-] 687727608 571891414 /nfs/dbraw/zinc/89/14/14/571891414.db2.gz YEAICUYPYLQKLQ-MRVPVSSYSA-N 0 3 190.243 0.402 10 5 ACBEHN C=COCCNCC(C)(C)[N+](=O)[O-] 687727583 571892624 /nfs/dbraw/zinc/89/26/24/571892624.db2.gz LRHZIMQKYLERGE-UHFFFAOYSA-N 0 3 188.227 0.791 10 5 ACBEHN CC(C)(C)NC[C@@](C)(CO)[N+](=O)[O-] 687727609 571893317 /nfs/dbraw/zinc/89/33/17/571893317.db2.gz YEAICUYPYLQKLQ-QMMMGPOBSA-N 0 3 190.243 0.402 10 5 ACBEHN CCNCc1c([N+](=O)[O-])c(C)nn1C 687728237 571899265 /nfs/dbraw/zinc/89/92/65/571899265.db2.gz RLWXKPCLVJYRKW-UHFFFAOYSA-N 0 3 198.226 0.746 10 5 ACBEHN CCCCC[C@@](CN)(CO)[N+](=O)[O-] 687728781 571903496 /nfs/dbraw/zinc/90/34/96/571903496.db2.gz RZRAWMJARNJIOI-MRVPVSSYSA-N 0 3 190.243 0.533 10 5 ACBEHN CCCCNC[C@@](C)(CO)[N+](=O)[O-] 687728104 571902255 /nfs/dbraw/zinc/90/22/55/571902255.db2.gz FQBLHUPTHLHUES-QMMMGPOBSA-N 0 3 190.243 0.404 10 5 ACBEHN CCNC[C@@](CC)(CO)[N+](=O)[O-] 687728118 571902431 /nfs/dbraw/zinc/90/24/31/571902431.db2.gz LCAALFGWXLGUQW-ZETCQYMHSA-N 0 3 176.216 0.014 10 5 ACBEHN CCNC[C@](CC)(CO)[N+](=O)[O-] 687728117 571902536 /nfs/dbraw/zinc/90/25/36/571902536.db2.gz LCAALFGWXLGUQW-SSDOTTSWSA-N 0 3 176.216 0.014 10 5 ACBEHN CC(C)CNC[C@](C)(CO)[N+](=O)[O-] 687728141 571902852 /nfs/dbraw/zinc/90/28/52/571902852.db2.gz SZCOTBPYPNAQNY-MRVPVSSYSA-N 0 3 190.243 0.260 10 5 ACBEHN CCCC[C@](CN)(CO)[N+](=O)[O-] 687728081 571903052 /nfs/dbraw/zinc/90/30/52/571903052.db2.gz OMJFCAANZVJGPI-ZETCQYMHSA-N 0 3 176.216 0.143 10 5 ACBEHN CCCC[C@@](CN)(CO)[N+](=O)[O-] 687728080 571903138 /nfs/dbraw/zinc/90/31/38/571903138.db2.gz OMJFCAANZVJGPI-SSDOTTSWSA-N 0 3 176.216 0.143 10 5 ACBEHN CN(C)CCc1[nH]cnc1[N+](=O)[O-] 687728102 571903971 /nfs/dbraw/zinc/90/39/71/571903971.db2.gz BOGRHIXSPDKUBP-UHFFFAOYSA-N 0 3 184.199 0.422 10 5 ACBEHN CC(C)CNC[C@@](C)(CO)[N+](=O)[O-] 687728143 571903900 /nfs/dbraw/zinc/90/39/00/571903900.db2.gz SZCOTBPYPNAQNY-QMMMGPOBSA-N 0 3 190.243 0.260 10 5 ACBEHN CN(C)c1cc([N+](=O)[O-])cc(NN)n1 234264856 571905257 /nfs/dbraw/zinc/90/52/57/571905257.db2.gz SVELJCIXPCXGGP-UHFFFAOYSA-N 0 3 197.198 0.341 10 5 ACBEHN CCCCNC[C@](C)(CO)[N+](=O)[O-] 687728103 571904424 /nfs/dbraw/zinc/90/44/24/571904424.db2.gz FQBLHUPTHLHUES-MRVPVSSYSA-N 0 3 190.243 0.404 10 5 ACBEHN CCCCC[C@](CN)(CO)[N+](=O)[O-] 687728782 571905096 /nfs/dbraw/zinc/90/50/96/571905096.db2.gz RZRAWMJARNJIOI-QMMMGPOBSA-N 0 3 190.243 0.533 10 5 ACBEHN COc1ccc([C@H](N)C[N+](=O)[O-])cc1 687728430 571905194 /nfs/dbraw/zinc/90/51/94/571905194.db2.gz BNOSLLCWDIIROA-SECBINFHSA-N 0 3 196.206 0.972 10 5 ACBEHN COc1ccc([C@@H](N)C[N+](=O)[O-])cc1 687728431 571905796 /nfs/dbraw/zinc/90/57/96/571905796.db2.gz BNOSLLCWDIIROA-VIFPVBQESA-N 0 3 196.206 0.972 10 5 ACBEHN NC[C@@H]1Oc2ccc([N+](=O)[O-])cc2O1 687728829 571906622 /nfs/dbraw/zinc/90/66/22/571906622.db2.gz YVWFYSXNKKIMIJ-MRVPVSSYSA-N 0 3 196.162 0.651 10 5 ACBEHN NC[C@H]1Oc2ccc([N+](=O)[O-])cc2O1 687728830 571906747 /nfs/dbraw/zinc/90/67/47/571906747.db2.gz YVWFYSXNKKIMIJ-QMMMGPOBSA-N 0 3 196.162 0.651 10 5 ACBEHN CC[C@H](CO)NCC(C)(C)[N+](=O)[O-] 687728848 571907099 /nfs/dbraw/zinc/90/70/99/571907099.db2.gz IRPCYXGZERTFRR-SSDOTTSWSA-N 0 3 190.243 0.402 10 5 ACBEHN CC[C@@H](CO)NCC(C)(C)[N+](=O)[O-] 687728849 571907230 /nfs/dbraw/zinc/90/72/30/571907230.db2.gz IRPCYXGZERTFRR-ZETCQYMHSA-N 0 3 190.243 0.402 10 5 ACBEHN N[C@H]1c2c(cccc2[N+](=O)[O-])C[C@@H]1O 687728879 571907875 /nfs/dbraw/zinc/90/78/75/571907875.db2.gz WLSSZIYFLBDZCI-IONNQARKSA-N 0 3 194.190 0.512 10 5 ACBEHN N[C@H]1c2cccc([N+](=O)[O-])c2C[C@@H]1O 687728876 571908562 /nfs/dbraw/zinc/90/85/62/571908562.db2.gz RDFQIUZNFXWRIJ-IUCAKERBSA-N 0 3 194.190 0.512 10 5 ACBEHN N[C@H]1c2ccc([N+](=O)[O-])cc2C[C@@H]1O 687728874 571909368 /nfs/dbraw/zinc/90/93/68/571909368.db2.gz NIVZJULFAPJHRT-IUCAKERBSA-N 0 3 194.190 0.512 10 5 ACBEHN O=[N+]([O-])C(O)[C@H](O)c1ccccc1 687809282 571935478 /nfs/dbraw/zinc/93/54/78/571935478.db2.gz YUPBNNYRBNOGMO-SFYZADRCSA-N 0 3 183.163 0.315 10 5 ACBEHN O=[N+]([O-])C(O)[C@@H](O)c1ccccc1 687809283 571935547 /nfs/dbraw/zinc/93/55/47/571935547.db2.gz YUPBNNYRBNOGMO-YUMQZZPRSA-N 0 3 183.163 0.315 10 5 ACBEHN O=[N+]([O-])C(O)[C@H](O)c1ccccc1 687809281 571935679 /nfs/dbraw/zinc/93/56/79/571935679.db2.gz YUPBNNYRBNOGMO-HTQZYQBOSA-N 0 3 183.163 0.315 10 5 ACBEHN CC(C)[C@@H]1SC[C@H](O)C1[N+](=O)[O-] 687809224 571936282 /nfs/dbraw/zinc/93/62/82/571936282.db2.gz VZHUWNYVUJSRRB-ACZMJKKPSA-N 0 3 191.252 0.764 10 5 ACBEHN CCC[C@@H](OC)C(CO)[N+](=O)[O-] 687756837 571949224 /nfs/dbraw/zinc/94/92/24/571949224.db2.gz RPSCOALSNYXYIN-RNFRBKRXSA-N 0 3 177.200 0.439 10 5 ACBEHN O=[N+]([O-])C(CO)Cc1ccco1 687756142 571949534 /nfs/dbraw/zinc/94/95/34/571949534.db2.gz UQNREEMQOJTOJX-ZCFIWIBFSA-N 0 3 171.152 0.460 10 5 ACBEHN CCC[C@H](OC)C(CO)[N+](=O)[O-] 687756838 571949706 /nfs/dbraw/zinc/94/97/06/571949706.db2.gz RPSCOALSNYXYIN-RQJHMYQMSA-N 0 3 177.200 0.439 10 5 ACBEHN CC(COC[C@H](C)O)[N+](=O)[O-] 687756842 571949824 /nfs/dbraw/zinc/94/98/24/571949824.db2.gz SWXLNIFZTZYYML-WDSKDSINSA-N 0 3 163.173 0.049 10 5 ACBEHN CC[C@@H]1O[C@@H](O)CCC1[N+](=O)[O-] 687756667 571950085 /nfs/dbraw/zinc/95/00/85/571950085.db2.gz FWHOQAMJYWEADE-DSYKOEDSSA-N 0 3 175.184 0.539 10 5 ACBEHN C[C@@H]1O[C@@H](O)CCC1[N+](=O)[O-] 687756695 571950119 /nfs/dbraw/zinc/95/01/19/571950119.db2.gz UWTNAPWVYUZPLG-HCWXCVPCSA-N 0 3 161.157 0.149 10 5 ACBEHN CC(COC[C@@H](C)O)[N+](=O)[O-] 687756839 571950234 /nfs/dbraw/zinc/95/02/34/571950234.db2.gz SWXLNIFZTZYYML-NTSWFWBYSA-N 0 3 163.173 0.049 10 5 ACBEHN C[C@@H]1O[C@H](O)CCC1[N+](=O)[O-] 687756698 571950256 /nfs/dbraw/zinc/95/02/56/571950256.db2.gz UWTNAPWVYUZPLG-ZLUOBGJFSA-N 0 3 161.157 0.149 10 5 ACBEHN C[C@@H]1O[C@@H](O)CCC1[N+](=O)[O-] 687756697 571950479 /nfs/dbraw/zinc/95/04/79/571950479.db2.gz UWTNAPWVYUZPLG-KVQBGUIXSA-N 0 3 161.157 0.149 10 5 ACBEHN CC[C@@H]1O[C@H](O)CCC1[N+](=O)[O-] 687756669 571950902 /nfs/dbraw/zinc/95/09/02/571950902.db2.gz FWHOQAMJYWEADE-VQVTYTSYSA-N 0 3 175.184 0.539 10 5 ACBEHN C[C@@H]1O[C@H](O)CCC1[N+](=O)[O-] 687756696 571950690 /nfs/dbraw/zinc/95/06/90/571950690.db2.gz UWTNAPWVYUZPLG-JKUQZMGJSA-N 0 3 161.157 0.149 10 5 ACBEHN O=[N+]([O-])C1C[C@H]2C[C@@H]1[C@H](O)C2 687756368 571951212 /nfs/dbraw/zinc/95/12/12/571951212.db2.gz AZHBXKZISHSNRR-JRTVQGFMSA-N 0 3 157.169 0.423 10 5 ACBEHN CC(COC[C@H](C)O)[N+](=O)[O-] 687756841 571951288 /nfs/dbraw/zinc/95/12/88/571951288.db2.gz SWXLNIFZTZYYML-RITPCOANSA-N 0 3 163.173 0.049 10 5 ACBEHN CCC[C@@H](OC)C(CO)[N+](=O)[O-] 687756836 571951540 /nfs/dbraw/zinc/95/15/40/571951540.db2.gz RPSCOALSNYXYIN-NKWVEPMBSA-N 0 3 177.200 0.439 10 5 ACBEHN O=[N+]([O-])C(CO)Cc1ccco1 687756141 571951879 /nfs/dbraw/zinc/95/18/79/571951879.db2.gz UQNREEMQOJTOJX-LURJTMIESA-N 0 3 171.152 0.460 10 5 ACBEHN CC[C@@H]1O[C@H](O)CCC1[N+](=O)[O-] 687756666 571951932 /nfs/dbraw/zinc/95/19/32/571951932.db2.gz FWHOQAMJYWEADE-ACZMJKKPSA-N 0 3 175.184 0.539 10 5 ACBEHN CCC[C@H](OC)C(CO)[N+](=O)[O-] 687756835 571951940 /nfs/dbraw/zinc/95/19/40/571951940.db2.gz RPSCOALSNYXYIN-BQBZGAKWSA-N 0 3 177.200 0.439 10 5 ACBEHN CC(COC[C@@H](C)O)[N+](=O)[O-] 687756840 571951957 /nfs/dbraw/zinc/95/19/57/571951957.db2.gz SWXLNIFZTZYYML-PHDIDXHHSA-N 0 3 163.173 0.049 10 5 ACBEHN CC[C@@H]1O[C@@H](O)CCC1[N+](=O)[O-] 687756668 571952299 /nfs/dbraw/zinc/95/22/99/571952299.db2.gz FWHOQAMJYWEADE-LYFYHCNISA-N 0 3 175.184 0.539 10 5 ACBEHN CC[C@H](NC(C)=O)C(C)[N+](=O)[O-] 687760031 571958674 /nfs/dbraw/zinc/95/86/74/571958674.db2.gz QBRCAAPTVHFFDT-VDTYLAMSSA-N 0 3 174.200 0.566 10 5 ACBEHN CC(=O)CCC(C[C@H](C)O)[N+](=O)[O-] 687757705 571953320 /nfs/dbraw/zinc/95/33/20/571953320.db2.gz QGXIGCQUHNEVNX-YUMQZZPRSA-N 0 3 189.211 0.772 10 5 ACBEHN CC([C@H]1CO[C@@H](O)[C@H]1C)[N+](=O)[O-] 687757485 571953783 /nfs/dbraw/zinc/95/37/83/571953783.db2.gz NZNHABWFMCXRPN-ZTYPAOSTSA-N 0 3 175.184 0.253 10 5 ACBEHN CCC(CO[C@@H](C)CO)[N+](=O)[O-] 687757611 571954099 /nfs/dbraw/zinc/95/40/99/571954099.db2.gz SIZRXEXGXGPOKH-BQBZGAKWSA-N 0 3 177.200 0.439 10 5 ACBEHN CC(=O)CCC(C[C@H](C)O)[N+](=O)[O-] 687757703 571954078 /nfs/dbraw/zinc/95/40/78/571954078.db2.gz QGXIGCQUHNEVNX-JGVFFNPUSA-N 0 3 189.211 0.772 10 5 ACBEHN O=[N+]([O-])C(CO)[C@H]1CCCCO1 687757721 571954086 /nfs/dbraw/zinc/95/40/86/571954086.db2.gz YTGPUEPWYBBMKP-NKWVEPMBSA-N 0 3 175.184 0.193 10 5 ACBEHN CCC(CO[C@H](C)CO)[N+](=O)[O-] 687757614 571954092 /nfs/dbraw/zinc/95/40/92/571954092.db2.gz SIZRXEXGXGPOKH-RQJHMYQMSA-N 0 3 177.200 0.439 10 5 ACBEHN CC[C@H](O)C(C[C@@H](C)O)[N+](=O)[O-] 687757715 571954694 /nfs/dbraw/zinc/95/46/94/571954694.db2.gz XBQMYRGNRFSJQM-QYNIQEEDSA-N 0 3 177.200 0.174 10 5 ACBEHN CCC[C@H](O)C(C[C@H](C)O)[N+](=O)[O-] 687757700 571954525 /nfs/dbraw/zinc/95/45/25/571954525.db2.gz OWMWZCLOBCMCIG-RNJXMRFFSA-N 0 3 191.227 0.564 10 5 ACBEHN CCC[C@H](O)C(C[C@@H](C)O)[N+](=O)[O-] 687757696 571954532 /nfs/dbraw/zinc/95/45/32/571954532.db2.gz OWMWZCLOBCMCIG-CSMHCCOUSA-N 0 3 191.227 0.564 10 5 ACBEHN O=[N+]([O-])C(CO)[C@@H]1CCCCO1 687757723 571954614 /nfs/dbraw/zinc/95/46/14/571954614.db2.gz YTGPUEPWYBBMKP-RQJHMYQMSA-N 0 3 175.184 0.193 10 5 ACBEHN CC([C@@H]1CO[C@@H](O)[C@H]1C)[N+](=O)[O-] 687757484 571954641 /nfs/dbraw/zinc/95/46/41/571954641.db2.gz NZNHABWFMCXRPN-VWDOSNQTSA-N 0 3 175.184 0.253 10 5 ACBEHN CC[C@H](O)C(C[C@H](C)O)[N+](=O)[O-] 687757717 571954652 /nfs/dbraw/zinc/95/46/52/571954652.db2.gz XBQMYRGNRFSJQM-XVMARJQXSA-N 0 3 177.200 0.174 10 5 ACBEHN CC[C@H](O)C(C[C@@H](C)O)[N+](=O)[O-] 687757716 571954671 /nfs/dbraw/zinc/95/46/71/571954671.db2.gz XBQMYRGNRFSJQM-VQVTYTSYSA-N 0 3 177.200 0.174 10 5 ACBEHN C[C@H]1O[C@H](O)CCC1[N+](=O)[O-] 687757218 571954877 /nfs/dbraw/zinc/95/48/77/571954877.db2.gz UWTNAPWVYUZPLG-SRQIZXRXSA-N 0 3 161.157 0.149 10 5 ACBEHN CC(=O)CCC(C[C@@H](C)O)[N+](=O)[O-] 687757702 571955005 /nfs/dbraw/zinc/95/50/05/571955005.db2.gz QGXIGCQUHNEVNX-HTQZYQBOSA-N 0 3 189.211 0.772 10 5 ACBEHN CC([C@@H]1CO[C@@H](O)[C@H]1C)[N+](=O)[O-] 687757482 571955017 /nfs/dbraw/zinc/95/50/17/571955017.db2.gz NZNHABWFMCXRPN-BDVNFPICSA-N 0 3 175.184 0.253 10 5 ACBEHN O=[N+]([O-])C(CO)[C@H]1CCCCO1 687757722 571955073 /nfs/dbraw/zinc/95/50/73/571955073.db2.gz YTGPUEPWYBBMKP-RNFRBKRXSA-N 0 3 175.184 0.193 10 5 ACBEHN O=[N+]([O-])C(CO)[C@@H]1CCCCO1 687757720 571955196 /nfs/dbraw/zinc/95/51/96/571955196.db2.gz YTGPUEPWYBBMKP-BQBZGAKWSA-N 0 3 175.184 0.193 10 5 ACBEHN C[C@H]1O[C@@H](O)CCC1[N+](=O)[O-] 687757217 571955270 /nfs/dbraw/zinc/95/52/70/571955270.db2.gz UWTNAPWVYUZPLG-NGJCXOISSA-N 0 3 161.157 0.149 10 5 ACBEHN CC[C@H](O)C(C[C@H](C)O)[N+](=O)[O-] 687757714 571955340 /nfs/dbraw/zinc/95/53/40/571955340.db2.gz XBQMYRGNRFSJQM-ACZMJKKPSA-N 0 3 177.200 0.174 10 5 ACBEHN CCC[C@H](O)C(C[C@@H](C)O)[N+](=O)[O-] 687757699 571955406 /nfs/dbraw/zinc/95/54/06/571955406.db2.gz OWMWZCLOBCMCIG-PRJMDXOYSA-N 0 3 191.227 0.564 10 5 ACBEHN CCCCO[C@H](C)C(CO)[N+](=O)[O-] 687757855 571955845 /nfs/dbraw/zinc/95/58/45/571955845.db2.gz JJJJRRQGWLXMPW-HTQZYQBOSA-N 0 3 191.227 0.829 10 5 ACBEHN O=C1Oc2cccc([N+](=O)[O-])c2C1O 687757903 571956529 /nfs/dbraw/zinc/95/65/29/571956529.db2.gz SZTVWCFIRTYERS-ZETCQYMHSA-N 0 3 195.130 0.547 10 5 ACBEHN CCCCO[C@H](C)C(CO)[N+](=O)[O-] 687757857 571956762 /nfs/dbraw/zinc/95/67/62/571956762.db2.gz JJJJRRQGWLXMPW-SFYZADRCSA-N 0 3 191.227 0.829 10 5 ACBEHN O=C1Oc2cccc([N+](=O)[O-])c2C1O 687757902 571956966 /nfs/dbraw/zinc/95/69/66/571956966.db2.gz SZTVWCFIRTYERS-SSDOTTSWSA-N 0 3 195.130 0.547 10 5 ACBEHN CCCCO[C@@H](C)C(CO)[N+](=O)[O-] 687757858 571957284 /nfs/dbraw/zinc/95/72/84/571957284.db2.gz JJJJRRQGWLXMPW-YUMQZZPRSA-N 0 3 191.227 0.829 10 5 ACBEHN CCCCO[C@@H](C)C(CO)[N+](=O)[O-] 687757856 571957590 /nfs/dbraw/zinc/95/75/90/571957590.db2.gz JJJJRRQGWLXMPW-JGVFFNPUSA-N 0 3 191.227 0.829 10 5 ACBEHN CC[C@@H](NC(C)=O)C(C)[N+](=O)[O-] 687760028 571958297 /nfs/dbraw/zinc/95/82/97/571958297.db2.gz QBRCAAPTVHFFDT-CAHLUQPWSA-N 0 3 174.200 0.566 10 5 ACBEHN N[C@@H]1c2c(cccc2[N+](=O)[O-])C[C@@H]1O 687759275 571960492 /nfs/dbraw/zinc/96/04/92/571960492.db2.gz WLSSZIYFLBDZCI-CBAPKCEASA-N 0 3 194.190 0.512 10 5 ACBEHN CC[C@@H](NC(C)=O)C(C)[N+](=O)[O-] 687760030 571958805 /nfs/dbraw/zinc/95/88/05/571958805.db2.gz QBRCAAPTVHFFDT-IYSWYEEDSA-N 0 3 174.200 0.566 10 5 ACBEHN N[C@H]1c2c(cccc2[N+](=O)[O-])C[C@H]1O 687759276 571958875 /nfs/dbraw/zinc/95/88/75/571958875.db2.gz WLSSZIYFLBDZCI-VXNVDRBHSA-N 0 3 194.190 0.512 10 5 ACBEHN CC[C@H](NC(C)=O)C(C)[N+](=O)[O-] 687760029 571958937 /nfs/dbraw/zinc/95/89/37/571958937.db2.gz QBRCAAPTVHFFDT-FSPLSTOPSA-N 0 3 174.200 0.566 10 5 ACBEHN N[C@@H]1c2c(cccc2[N+](=O)[O-])C[C@H]1O 687759274 571960336 /nfs/dbraw/zinc/96/03/36/571960336.db2.gz WLSSZIYFLBDZCI-APPZFPTMSA-N 0 3 194.190 0.512 10 5 ACBEHN CO[C@@H]1CCC[C@H](O)C1[N+](=O)[O-] 687762821 571967184 /nfs/dbraw/zinc/96/71/84/571967184.db2.gz XIKVSLDNIFLMHP-RRKCRQDMSA-N 0 3 175.184 0.192 10 5 ACBEHN CO[C@@H]1CCC[C@@H](O)C1[N+](=O)[O-] 687762820 571967289 /nfs/dbraw/zinc/96/72/89/571967289.db2.gz XIKVSLDNIFLMHP-QYNIQEEDSA-N 0 3 175.184 0.192 10 5 ACBEHN CO[C@@H]1CCC[C@@H](O)C1[N+](=O)[O-] 687762819 571967594 /nfs/dbraw/zinc/96/75/94/571967594.db2.gz XIKVSLDNIFLMHP-FSDSQADBSA-N 0 3 175.184 0.192 10 5 ACBEHN CO[C@@H]1CCC[C@H](O)C1[N+](=O)[O-] 687762822 571967954 /nfs/dbraw/zinc/96/79/54/571967954.db2.gz XIKVSLDNIFLMHP-XVMARJQXSA-N 0 3 175.184 0.192 10 5 ACBEHN O=[N+]([O-])c1ccc(C2(O)CNC2)cc1 219423263 571982022 /nfs/dbraw/zinc/98/20/22/571982022.db2.gz COGXPWWUYDGDHM-UHFFFAOYSA-N 0 3 194.190 0.386 10 5 ACBEHN O=[N+]([O-])C1CCCC[C@H]1NO 34478971 572085042 /nfs/dbraw/zinc/08/50/42/572085042.db2.gz RBGHUBSQCUVTSQ-RITPCOANSA-N 0 3 160.173 0.553 10 5 ACBEHN CN[C@H](CO)c1ccc([N+](=O)[O-])nc1 238801448 572438716 /nfs/dbraw/zinc/43/87/16/572438716.db2.gz URTSJMODDZEROY-SSDOTTSWSA-N 0 3 197.194 0.243 10 5 ACBEHN C[C@H](O)CCN[C@@H](C)C[N+](=O)[O-] 308063299 572560652 /nfs/dbraw/zinc/56/06/52/572560652.db2.gz XKUIKLVKUIQQDK-BQBZGAKWSA-N 0 3 176.216 0.012 10 5 ACBEHN C[C@H](O)CCN[C@H](C)C[N+](=O)[O-] 308063304 572560817 /nfs/dbraw/zinc/56/08/17/572560817.db2.gz XKUIKLVKUIQQDK-RQJHMYQMSA-N 0 3 176.216 0.012 10 5 ACBEHN C[C@@H](C[N+](=O)[O-])NCC[C@@H](C)O 308063301 572561913 /nfs/dbraw/zinc/56/19/13/572561913.db2.gz XKUIKLVKUIQQDK-NKWVEPMBSA-N 0 3 176.216 0.012 10 5 ACBEHN C[C@@H](O)CCN[C@H](C)C[N+](=O)[O-] 308063302 572563870 /nfs/dbraw/zinc/56/38/70/572563870.db2.gz XKUIKLVKUIQQDK-RNFRBKRXSA-N 0 3 176.216 0.012 10 5 ACBEHN CC[C@H](CO)N[C@H](C)C[N+](=O)[O-] 308065142 572570795 /nfs/dbraw/zinc/57/07/95/572570795.db2.gz YFDNRIOZTULOFU-RNFRBKRXSA-N 0 3 176.216 0.012 10 5 ACBEHN CC[C@H](CO)N[C@@H](C)C[N+](=O)[O-] 308065141 572572448 /nfs/dbraw/zinc/57/24/48/572572448.db2.gz YFDNRIOZTULOFU-NKWVEPMBSA-N 0 3 176.216 0.012 10 5 ACBEHN CC[C@@H](CO)N[C@H](C)C[N+](=O)[O-] 308065143 572572546 /nfs/dbraw/zinc/57/25/46/572572546.db2.gz YFDNRIOZTULOFU-RQJHMYQMSA-N 0 3 176.216 0.012 10 5 ACBEHN CC[C@@H](CO)N[C@@H](C)C[N+](=O)[O-] 308065140 572572909 /nfs/dbraw/zinc/57/29/09/572572909.db2.gz YFDNRIOZTULOFU-BQBZGAKWSA-N 0 3 176.216 0.012 10 5 ACBEHN CSCC(=O)OCC(C)[N+](=O)[O-] 308073739 572609500 /nfs/dbraw/zinc/60/95/00/572609500.db2.gz BYVCKGXUFNYRBT-YFKPBYRVSA-N 0 3 193.224 0.558 10 5 ACBEHN CSCC(=O)OCC(C)[N+](=O)[O-] 308073738 572609727 /nfs/dbraw/zinc/60/97/27/572609727.db2.gz BYVCKGXUFNYRBT-RXMQYKEDSA-N 0 3 193.224 0.558 10 5 ACBEHN CN(C)CCn1ccc([N+](=O)[O-])c1 115293908 572613435 /nfs/dbraw/zinc/61/34/35/572613435.db2.gz DEXIPZAZRMJDLQ-UHFFFAOYSA-N 0 3 183.211 0.958 10 5 ACBEHN CN[C@@H](CO)c1ccc([N+](=O)[O-])nc1 238368014 572634642 /nfs/dbraw/zinc/63/46/42/572634642.db2.gz URTSJMODDZEROY-ZETCQYMHSA-N 0 3 197.194 0.243 10 5 ACBEHN O=[N+]([O-])c1c[n-][n+](=O)c2ccccc12 334138436 572634990 /nfs/dbraw/zinc/63/49/90/572634990.db2.gz VKGGFMJBBBITEL-UHFFFAOYSA-N 0 3 192.154 0.991 10 5 ACBEHN Nc1ncc([N+](=O)[O-])cc1C1(N)CC1 214762036 572798667 /nfs/dbraw/zinc/79/86/67/572798667.db2.gz ZMBUYXQIRYFIAK-UHFFFAOYSA-N 0 3 194.194 0.520 10 5 ACBEHN COC[C@H](C)N[C@@H](C)C[N+](=O)[O-] 307947820 572819894 /nfs/dbraw/zinc/81/98/94/572819894.db2.gz ABJWORDHBISYLC-BQBZGAKWSA-N 0 3 176.216 0.276 10 5 ACBEHN COC[C@H](C)N[C@H](C)C[N+](=O)[O-] 307947823 572820488 /nfs/dbraw/zinc/82/04/88/572820488.db2.gz ABJWORDHBISYLC-RQJHMYQMSA-N 0 3 176.216 0.276 10 5 ACBEHN COC[C@@H](C)N[C@H](C)C[N+](=O)[O-] 307947822 572820497 /nfs/dbraw/zinc/82/04/97/572820497.db2.gz ABJWORDHBISYLC-RNFRBKRXSA-N 0 3 176.216 0.276 10 5 ACBEHN COC[C@@H](C)N[C@@H](C)C[N+](=O)[O-] 307947821 572820533 /nfs/dbraw/zinc/82/05/33/572820533.db2.gz ABJWORDHBISYLC-NKWVEPMBSA-N 0 3 176.216 0.276 10 5 ACBEHN Nc1cc2c(cc1[N+](=O)[O-])OC[C@@H]2N 713767526 572837790 /nfs/dbraw/zinc/83/77/90/572837790.db2.gz GOGGIEFAAKJJDS-LURJTMIESA-N 0 3 195.178 0.569 10 5 ACBEHN Nc1cc2c(cc1[N+](=O)[O-])OC[C@H]2N 713767528 572838293 /nfs/dbraw/zinc/83/82/93/572838293.db2.gz GOGGIEFAAKJJDS-ZCFIWIBFSA-N 0 3 195.178 0.569 10 5 ACBEHN COCCCN[C@@H](C)C[N+](=O)[O-] 307978077 572890533 /nfs/dbraw/zinc/89/05/33/572890533.db2.gz MRBSWVQKYJZREL-ZETCQYMHSA-N 0 3 176.216 0.278 10 5 ACBEHN COCCCN[C@H](C)C[N+](=O)[O-] 307978076 572891123 /nfs/dbraw/zinc/89/11/23/572891123.db2.gz MRBSWVQKYJZREL-SSDOTTSWSA-N 0 3 176.216 0.278 10 5 ACBEHN CC(C)[C@H](N)c1c([N+](=O)[O-])cnn1C 75854372 572902229 /nfs/dbraw/zinc/90/22/29/572902229.db2.gz IGMSOZKOVXLMFZ-ZETCQYMHSA-N 0 3 198.226 0.984 10 5 ACBEHN Cn1ncc([N+](=O)[O-])c1[C@@H]1CCCN1 75868458 572907819 /nfs/dbraw/zinc/90/78/19/572907819.db2.gz XXASGFHJHUBKAC-LURJTMIESA-N 0 3 196.210 0.753 10 5 ACBEHN Cn1ncc([N+](=O)[O-])c1[C@H]1CCCN1 75868459 572908463 /nfs/dbraw/zinc/90/84/63/572908463.db2.gz XXASGFHJHUBKAC-ZCFIWIBFSA-N 0 3 196.210 0.753 10 5 ACBEHN CC(COC(=O)C1CCC1)[N+](=O)[O-] 308221990 573010856 /nfs/dbraw/zinc/01/08/56/573010856.db2.gz CMBKABDEZQGJBQ-ZCFIWIBFSA-N 0 3 187.195 0.995 10 5 ACBEHN CC(COC(=O)C(C)(C)F)[N+](=O)[O-] 308272527 573126135 /nfs/dbraw/zinc/12/61/35/573126135.db2.gz STXDALUGIXMBQV-YFKPBYRVSA-N 0 3 193.174 0.943 10 5 ACBEHN CC(COC(=O)C(C)(C)F)[N+](=O)[O-] 308272526 573126259 /nfs/dbraw/zinc/12/62/59/573126259.db2.gz STXDALUGIXMBQV-RXMQYKEDSA-N 0 3 193.174 0.943 10 5 ACBEHN CC(COC(=O)C1(C)CC1)[N+](=O)[O-] 308277375 573129647 /nfs/dbraw/zinc/12/96/47/573129647.db2.gz VPYCKBFYVZCPIG-LURJTMIESA-N 0 3 187.195 0.995 10 5 ACBEHN CC(COC(=O)C1(C)CC1)[N+](=O)[O-] 308277381 573130194 /nfs/dbraw/zinc/13/01/94/573130194.db2.gz VPYCKBFYVZCPIG-ZCFIWIBFSA-N 0 3 187.195 0.995 10 5 ACBEHN CC(COC(=O)CC1CC1)[N+](=O)[O-] 308279037 573135244 /nfs/dbraw/zinc/13/52/44/573135244.db2.gz WHBIKDTXKRERRB-ZCFIWIBFSA-N 0 3 187.195 0.995 10 5 ACBEHN CC(COC(=O)CC1CC1)[N+](=O)[O-] 308279035 573136393 /nfs/dbraw/zinc/13/63/93/573136393.db2.gz WHBIKDTXKRERRB-LURJTMIESA-N 0 3 187.195 0.995 10 5 ACBEHN CC(COC(=O)[C@@H]1C[C@H]1C)[N+](=O)[O-] 308283425 573153746 /nfs/dbraw/zinc/15/37/46/573153746.db2.gz XULCQCTWJICKED-DSYKOEDSSA-N 0 3 187.195 0.851 10 5 ACBEHN CC(COC(=O)[C@@H]1C[C@H]1C)[N+](=O)[O-] 308283433 573154718 /nfs/dbraw/zinc/15/47/18/573154718.db2.gz XULCQCTWJICKED-FSDSQADBSA-N 0 3 187.195 0.851 10 5 ACBEHN CC(COC(=O)[C@H]1C[C@H]1C)[N+](=O)[O-] 308283449 573156312 /nfs/dbraw/zinc/15/63/12/573156312.db2.gz XULCQCTWJICKED-VQVTYTSYSA-N 0 3 187.195 0.851 10 5 ACBEHN CC[C@](C)(O)CN[C@@H](C)C[N+](=O)[O-] 308306832 573196247 /nfs/dbraw/zinc/19/62/47/573196247.db2.gz OXQLQJCCJDCNQK-YUMQZZPRSA-N 0 3 190.243 0.402 10 5 ACBEHN CC[C@@](C)(O)CN[C@@H](C)C[N+](=O)[O-] 308306827 573196857 /nfs/dbraw/zinc/19/68/57/573196857.db2.gz OXQLQJCCJDCNQK-JGVFFNPUSA-N 0 3 190.243 0.402 10 5 ACBEHN CC[C@](C)(O)CN[C@H](C)C[N+](=O)[O-] 308306830 573197318 /nfs/dbraw/zinc/19/73/18/573197318.db2.gz OXQLQJCCJDCNQK-SFYZADRCSA-N 0 3 190.243 0.402 10 5 ACBEHN C[C@H]([C@@H]1CCCN1C)[N+](=O)[O-] 258595600 573222331 /nfs/dbraw/zinc/22/23/31/573222331.db2.gz ULEYETVVSGQYIC-RQJHMYQMSA-N 0 3 158.201 0.746 10 5 ACBEHN C[C@H]([C@H]1CCCN1C)[N+](=O)[O-] 258595599 573224585 /nfs/dbraw/zinc/22/45/85/573224585.db2.gz ULEYETVVSGQYIC-RNFRBKRXSA-N 0 3 158.201 0.746 10 5 ACBEHN C[NH2+][C@@H](C)c1cc([N+](=O)[O-])c[n-]c1=O 238327650 573264314 /nfs/dbraw/zinc/26/43/14/573264314.db2.gz LEXKTNCCRCBPNQ-YFKPBYRVSA-N 0 3 197.194 0.976 10 5 ACBEHN CN[C@@H](C)c1cc([N+](=O)[O-])cnc1N 238327638 573267232 /nfs/dbraw/zinc/26/72/32/573267232.db2.gz CHXBAACAVKVJOS-YFKPBYRVSA-N 0 3 196.210 0.852 10 5 ACBEHN CC([C@@H]1CCCO1)[N+](=O)[O-] 257984749 573272814 /nfs/dbraw/zinc/27/28/14/573272814.db2.gz BGQYYVWFKKKFDR-RITPCOANSA-N 0 3 145.158 0.831 10 5 ACBEHN C[NH2+][C@H](C)c1c[n-]c(=O)c([N+](=O)[O-])c1 238339061 573303714 /nfs/dbraw/zinc/30/37/14/573303714.db2.gz IGCNYCBBPICQSC-RXMQYKEDSA-N 0 3 197.194 0.976 10 5 ACBEHN N[C@H]1CCO[C@@H]1c1ccc([N+](=O)[O-])o1 86249304 573335373 /nfs/dbraw/zinc/33/53/73/573335373.db2.gz JXBMGLLBZJJDBA-XNCJUZBTSA-N 0 3 198.178 0.977 10 5 ACBEHN C[C@H](C1CCN(C)CC1)[N+](=O)[O-] 257824077 573516920 /nfs/dbraw/zinc/51/69/20/573516920.db2.gz GRSNAACPBFRPFS-SSDOTTSWSA-N 0 3 172.228 0.993 10 5 ACBEHN C[C@H](N)c1c([N+](=O)[O-])cnn1C 75845328 573705559 /nfs/dbraw/zinc/70/55/59/573705559.db2.gz MNWDGOXAAPIJCD-BYPYZUCNSA-N 0 3 170.172 0.348 10 5 ACBEHN Cc1ccc([N+](=O)[O-])c([C@H](N)CO)c1 238505474 573758053 /nfs/dbraw/zinc/75/80/53/573758053.db2.gz RTUBZYGPUOFLNZ-MRVPVSSYSA-N 0 3 196.206 0.895 10 5 ACBEHN Cc1ccc([N+](=O)[O-])c([C@@H](N)CO)c1 238505296 573759545 /nfs/dbraw/zinc/75/95/45/573759545.db2.gz RTUBZYGPUOFLNZ-QMMMGPOBSA-N 0 3 196.206 0.895 10 5 ACBEHN Cc1cc([C@@H](N)CO)ccc1[N+](=O)[O-] 238513631 573779143 /nfs/dbraw/zinc/77/91/43/573779143.db2.gz WYNJYPGRRDFRMN-QMMMGPOBSA-N 0 3 196.206 0.895 10 5 ACBEHN Cc1ccc([C@@H](N)CN)c([N+](=O)[O-])c1 72200454 573796638 /nfs/dbraw/zinc/79/66/38/573796638.db2.gz FVKYMRNHROOUGM-QMMMGPOBSA-N 0 3 195.222 0.862 10 5 ACBEHN Cc1ccc([C@@H](N)CO)c([N+](=O)[O-])c1 72197782 573797506 /nfs/dbraw/zinc/79/75/06/573797506.db2.gz WYQHDPLJGQHYGN-QMMMGPOBSA-N 0 3 196.206 0.895 10 5 ACBEHN Cc1cccc([C@H](N)CN)c1[N+](=O)[O-] 72200443 573797549 /nfs/dbraw/zinc/79/75/49/573797549.db2.gz DWAIXDZSZSUDOH-MRVPVSSYSA-N 0 3 195.222 0.862 10 5 ACBEHN Cc1ccc([N+](=O)[O-])cc1[C@H](N)CN 72200451 573798212 /nfs/dbraw/zinc/79/82/12/573798212.db2.gz MLVQIJBSOPEUOP-SECBINFHSA-N 0 3 195.222 0.862 10 5 ACBEHN Cc1cccc([C@H](N)CO)c1[N+](=O)[O-] 72197773 573798583 /nfs/dbraw/zinc/79/85/83/573798583.db2.gz IOAFWXPFHHWBAG-MRVPVSSYSA-N 0 3 196.206 0.895 10 5 ACBEHN Cc1c([C@H](N)CO)cccc1[N+](=O)[O-] 72197775 573798670 /nfs/dbraw/zinc/79/86/70/573798670.db2.gz YFEWVNTWNADDSI-MRVPVSSYSA-N 0 3 196.206 0.895 10 5 ACBEHN O=[N+]([O-])[C@H]1CCCNC1 80074968 573880131 /nfs/dbraw/zinc/88/01/31/573880131.db2.gz VSMFBEZUGPVXJW-YFKPBYRVSA-N 0 3 130.147 0.015 10 5 ACBEHN CC([C@H]1CCOC1)[N+](=O)[O-] 258445825 573905946 /nfs/dbraw/zinc/90/59/46/573905946.db2.gz FMQGJUUDUORMNE-RITPCOANSA-N 0 3 145.158 0.688 10 5 ACBEHN CC([C@@H]1CCOC1)[N+](=O)[O-] 258445793 573907798 /nfs/dbraw/zinc/90/77/98/573907798.db2.gz FMQGJUUDUORMNE-NTSWFWBYSA-N 0 3 145.158 0.688 10 5 ACBEHN CC([C@H]1CCOC1)[N+](=O)[O-] 258445846 573908057 /nfs/dbraw/zinc/90/80/57/573908057.db2.gz FMQGJUUDUORMNE-WDSKDSINSA-N 0 3 145.158 0.688 10 5 ACBEHN N[C@H](C[N+](=O)[O-])c1ccccc1 150278375 573929521 /nfs/dbraw/zinc/92/95/21/573929521.db2.gz JAUKIKINZPYUPY-MRVPVSSYSA-N 0 3 166.180 0.963 10 5 ACBEHN N[C@@H](C[N+](=O)[O-])c1ccccc1 150278164 573931709 /nfs/dbraw/zinc/93/17/09/573931709.db2.gz JAUKIKINZPYUPY-QMMMGPOBSA-N 0 3 166.180 0.963 10 5 ACBEHN CC([C@H]1CCCS1(=O)=O)[N+](=O)[O-] 257907553 573943670 /nfs/dbraw/zinc/94/36/70/573943670.db2.gz ZPQTYKIRMSGDIX-PHDIDXHHSA-N 0 3 193.224 0.229 10 5 ACBEHN CC([C@@H]1CCCS1(=O)=O)[N+](=O)[O-] 257907558 573944101 /nfs/dbraw/zinc/94/41/01/573944101.db2.gz ZPQTYKIRMSGDIX-WDSKDSINSA-N 0 3 193.224 0.229 10 5 ACBEHN CC([C@H]1CCCS1(=O)=O)[N+](=O)[O-] 257907551 573944362 /nfs/dbraw/zinc/94/43/62/573944362.db2.gz ZPQTYKIRMSGDIX-NTSWFWBYSA-N 0 3 193.224 0.229 10 5 ACBEHN CN(N)c1ccc(CN)cc1[N+](=O)[O-] 44249445 573966332 /nfs/dbraw/zinc/96/63/32/573966332.db2.gz UBXGLBFWEXVHLS-UHFFFAOYSA-N 0 3 196.210 0.363 10 5 ACBEHN Cc1ncc([N+](=O)[O-])n1CCN(C)C 196793038 487012474 /nfs/dbraw/zinc/01/24/74/487012474.db2.gz AVSWLSYGBMXJGJ-UHFFFAOYSA-N 0 3 198.226 0.661 10 5 ACBEHN CC(C)[C@H]1CCN1CC[N+](=O)[O-] 899881122 582564273 /nfs/dbraw/zinc/56/42/73/582564273.db2.gz FQHKNLRKHJBHTB-MRVPVSSYSA-N 0 3 172.228 0.993 10 5 ACBEHN CC(C)[C@@H]1CCN1CC[N+](=O)[O-] 899881123 582564835 /nfs/dbraw/zinc/56/48/35/582564835.db2.gz FQHKNLRKHJBHTB-QMMMGPOBSA-N 0 3 172.228 0.993 10 5 ACBEHN O=[N+]([O-])CCNCC1CC1 905022708 582642465 /nfs/dbraw/zinc/64/24/65/582642465.db2.gz GLPQAFUARVQLSL-UHFFFAOYSA-N 0 3 144.174 0.263 10 5 ACBEHN CC1(C)C[C@@H]1CNCC[N+](=O)[O-] 905107782 582642739 /nfs/dbraw/zinc/64/27/39/582642739.db2.gz BGYRIECPHOATPX-SSDOTTSWSA-N 0 3 172.228 0.899 10 5 ACBEHN CC1(C)C[C@H]1CNCC[N+](=O)[O-] 905107783 582642913 /nfs/dbraw/zinc/64/29/13/582642913.db2.gz BGYRIECPHOATPX-ZETCQYMHSA-N 0 3 172.228 0.899 10 5 ACBEHN O=[N+]([O-])CCNCCC1CC1 905132907 582643243 /nfs/dbraw/zinc/64/32/43/582643243.db2.gz CBJKHFROYZXYBM-UHFFFAOYSA-N 0 3 158.201 0.653 10 5 ACBEHN CS[C@@H](C)CNCC[N+](=O)[O-] 905178731 582643486 /nfs/dbraw/zinc/64/34/86/582643486.db2.gz CTHYRUWZSMJRFE-LURJTMIESA-N 0 3 178.257 0.604 10 5 ACBEHN CS[C@H](C)CNCC[N+](=O)[O-] 905178732 582643980 /nfs/dbraw/zinc/64/39/80/582643980.db2.gz CTHYRUWZSMJRFE-ZCFIWIBFSA-N 0 3 178.257 0.604 10 5 ACBEHN CC(C)[C@@H]1C[C@H]1NCC[N+](=O)[O-] 905283553 582646524 /nfs/dbraw/zinc/64/65/24/582646524.db2.gz FZWUHWLPJRDSLO-JGVFFNPUSA-N 0 3 172.228 0.897 10 5 ACBEHN CC(COC(=O)C1(F)CC1)[N+](=O)[O-] 842802440 583129321 /nfs/dbraw/zinc/12/93/21/583129321.db2.gz YVSFYJOKLIFDBK-RXMQYKEDSA-N 0 3 191.158 0.697 10 5 ACBEHN CC(COC(=O)C1(F)CC1)[N+](=O)[O-] 842802441 583129745 /nfs/dbraw/zinc/12/97/45/583129745.db2.gz YVSFYJOKLIFDBK-YFKPBYRVSA-N 0 3 191.158 0.697 10 5 ACBEHN CN1CCc2ncc([N+](=O)[O-])cc2C1 34266235 343114870 /nfs/dbraw/zinc/11/48/70/343114870.db2.gz RGFPALIXIHYKPE-UHFFFAOYSA-N 0 3 193.206 0.978 10 5 ACBEHN Cc1cc([N+](=O)[O-])cnc1CN 95642107 343685464 /nfs/dbraw/zinc/68/54/64/343685464.db2.gz SDPOWLRRDYIWJI-UHFFFAOYSA-N 0 3 167.168 0.757 10 5 ACBEHN CO[C@@H]1CCC([N+](=O)[O-])CO1 90548183 168208146 /nfs/dbraw/zinc/20/81/46/168208146.db2.gz LNGGBEKCGLQXEO-WDSKDSINSA-N 0 3 161.157 0.415 10 5 ACBEHN CO[C@@H]1CCC([N+](=O)[O-])CO1 90548185 168208248 /nfs/dbraw/zinc/20/82/48/168208248.db2.gz LNGGBEKCGLQXEO-RITPCOANSA-N 0 3 161.157 0.415 10 5 ACBEHN CO[C@H]1CCC([N+](=O)[O-])CO1 90548184 168218432 /nfs/dbraw/zinc/21/84/32/168218432.db2.gz LNGGBEKCGLQXEO-NTSWFWBYSA-N 0 3 161.157 0.415 10 5 ACBEHN CO[C@H]1CCC([N+](=O)[O-])CO1 90548186 168218991 /nfs/dbraw/zinc/21/89/91/168218991.db2.gz LNGGBEKCGLQXEO-PHDIDXHHSA-N 0 3 161.157 0.415 10 5 ACBEHN COc1cc(CN)cc([N+](=O)[O-])n1 95766990 168233702 /nfs/dbraw/zinc/23/37/02/168233702.db2.gz DFPIGZYHCRZRKW-UHFFFAOYSA-N 0 3 183.167 0.457 10 5 ACBEHN COc1cc(C[NH3+])c([N+](=O)[O-])cc1[O-] 50273158 168233987 /nfs/dbraw/zinc/23/39/87/168233987.db2.gz PLJXIVDNRQODJI-UHFFFAOYSA-N 0 3 198.178 0.768 10 5 ACBEHN COc1cc(CN)nc([N+](=O)[O-])c1 95766664 168234442 /nfs/dbraw/zinc/23/44/42/168234442.db2.gz RBWLEMVMHCZMFK-UHFFFAOYSA-N 0 3 183.167 0.457 10 5 ACBEHN COc1cc([N+](=O)[O-])cc(CN)n1 95766826 168240329 /nfs/dbraw/zinc/24/03/29/168240329.db2.gz RNQIHWXKIIPWAZ-UHFFFAOYSA-N 0 3 183.167 0.457 10 5 ACBEHN COc1ccc([N+](=O)[O-])cc1C(=N)N 20258435 168260807 /nfs/dbraw/zinc/26/08/07/168260807.db2.gz OSKCUBPRLKUGIL-UHFFFAOYSA-N 0 3 195.178 0.887 10 5 ACBEHN C[C@@H](N)c1c([N+](=O)[O-])cnn1C 75845329 168368324 /nfs/dbraw/zinc/36/83/24/168368324.db2.gz MNWDGOXAAPIJCD-SCSAIBSYSA-N 0 3 170.172 0.348 10 5 ACBEHN C[C@@]12OC1=NC=CC2[N+](=O)[O-] 113465386 168506403 /nfs/dbraw/zinc/50/64/03/168506403.db2.gz AJWQBQVLPADOOF-NJGYIYPDSA-N 0 3 154.125 0.346 10 5 ACBEHN Cc1cc([N+](=O)[O-])ccc1[C@H](N)CO 72197785 168785348 /nfs/dbraw/zinc/78/53/48/168785348.db2.gz WPGQBTTUZIKTIO-SECBINFHSA-N 0 3 196.206 0.895 10 5 ACBEHN N=C(N)Sc1ncc([N+](=O)[O-])cn1 255983116 169138959 /nfs/dbraw/zinc/13/89/59/169138959.db2.gz KIKUDZIIVZAPDO-UHFFFAOYSA-N 0 3 199.195 0.370 10 5 ACBEHN NC[C@@H](N)c1ccc(F)c([N+](=O)[O-])c1 72200547 169202515 /nfs/dbraw/zinc/20/25/15/169202515.db2.gz COZOTZTWMOZQGK-SSDOTTSWSA-N 0 3 199.185 0.692 10 5 ACBEHN NC[C@@H](N)c1cccc([N+](=O)[O-])c1N 72200473 169203079 /nfs/dbraw/zinc/20/30/79/169203079.db2.gz FNBSNUJLTWGNSM-ZCFIWIBFSA-N 0 3 196.210 0.136 10 5 ACBEHN NC[C@@H](N)c1ccc(F)cc1[N+](=O)[O-] 72200551 169203291 /nfs/dbraw/zinc/20/32/91/169203291.db2.gz SXYYQSGVQKNUIH-SSDOTTSWSA-N 0 3 199.185 0.692 10 5 ACBEHN NC[C@@H](N)c1cc(F)ccc1[N+](=O)[O-] 72200545 169203398 /nfs/dbraw/zinc/20/33/98/169203398.db2.gz YDGWCLPHWVTICX-SSDOTTSWSA-N 0 3 199.185 0.692 10 5 ACBEHN NC[C@@H](N)c1cc([N+](=O)[O-])ccc1F 72200543 169203459 /nfs/dbraw/zinc/20/34/59/169203459.db2.gz KQOAVRFZQLYSLR-MRVPVSSYSA-N 0 3 199.185 0.692 10 5 ACBEHN NC[C@@H](N)c1ccccc1[N+](=O)[O-] 39381745 169203515 /nfs/dbraw/zinc/20/35/15/169203515.db2.gz WXAACSNXQOIEJI-SSDOTTSWSA-N 0 3 181.195 0.553 10 5 ACBEHN NC[C@@H](N)c1cccc([N+](=O)[O-])c1 72200160 169203566 /nfs/dbraw/zinc/20/35/66/169203566.db2.gz OEQWGKADTXZFPF-MRVPVSSYSA-N 0 3 181.195 0.553 10 5 ACBEHN NC[C@@H](N)c1ccc([N+](=O)[O-])cc1F 72200549 169203701 /nfs/dbraw/zinc/20/37/01/169203701.db2.gz CYCMQHRBYAWWHE-MRVPVSSYSA-N 0 3 199.185 0.692 10 5 ACBEHN NC[C@@H](N)c1ccc([N+](=O)[O-])cc1N 72200471 169203849 /nfs/dbraw/zinc/20/38/49/169203849.db2.gz MXIMFMXUZLHHFI-MRVPVSSYSA-N 0 3 196.210 0.136 10 5 ACBEHN NC[C@H](N)c1cccc([N+](=O)[O-])c1 72200159 169212350 /nfs/dbraw/zinc/21/23/50/169212350.db2.gz OEQWGKADTXZFPF-QMMMGPOBSA-N 0 3 181.195 0.553 10 5 ACBEHN NC[C@H](N)c1cccc([N+](=O)[O-])c1N 72200474 169212557 /nfs/dbraw/zinc/21/25/57/169212557.db2.gz FNBSNUJLTWGNSM-LURJTMIESA-N 0 3 196.210 0.136 10 5 ACBEHN NC[C@H](N)c1ccc(F)cc1[N+](=O)[O-] 72200552 169212628 /nfs/dbraw/zinc/21/26/28/169212628.db2.gz SXYYQSGVQKNUIH-ZETCQYMHSA-N 0 3 199.185 0.692 10 5 ACBEHN NC[C@H](N)c1ccc([N+](=O)[O-])cc1F 72200550 169212680 /nfs/dbraw/zinc/21/26/80/169212680.db2.gz CYCMQHRBYAWWHE-QMMMGPOBSA-N 0 3 199.185 0.692 10 5 ACBEHN NC[C@H](N)c1ccccc1[N+](=O)[O-] 39381746 169213092 /nfs/dbraw/zinc/21/30/92/169213092.db2.gz WXAACSNXQOIEJI-ZETCQYMHSA-N 0 3 181.195 0.553 10 5 ACBEHN NC[C@H](N)c1ccc(F)c([N+](=O)[O-])c1 72200548 169213112 /nfs/dbraw/zinc/21/31/12/169213112.db2.gz COZOTZTWMOZQGK-ZETCQYMHSA-N 0 3 199.185 0.692 10 5 ACBEHN NC[C@H](N)c1cc(F)ccc1[N+](=O)[O-] 72200546 169213235 /nfs/dbraw/zinc/21/32/35/169213235.db2.gz YDGWCLPHWVTICX-ZETCQYMHSA-N 0 3 199.185 0.692 10 5 ACBEHN NC[C@H](N)c1cc([N+](=O)[O-])ccc1F 72200544 169213296 /nfs/dbraw/zinc/21/32/96/169213296.db2.gz KQOAVRFZQLYSLR-QMMMGPOBSA-N 0 3 199.185 0.692 10 5 ACBEHN NC[C@H](N)c1ccc([N+](=O)[O-])cc1N 72200472 169213412 /nfs/dbraw/zinc/21/34/12/169213412.db2.gz MXIMFMXUZLHHFI-QMMMGPOBSA-N 0 3 196.210 0.136 10 5 ACBEHN NCc1cc(F)nc([N+](=O)[O-])c1 95766883 169220017 /nfs/dbraw/zinc/22/00/17/169220017.db2.gz IKUGUWZGCIQHBA-UHFFFAOYSA-N 0 3 171.131 0.588 10 5 ACBEHN NCc1cc(N)cc([N+](=O)[O-])c1 95763904 169220110 /nfs/dbraw/zinc/22/01/10/169220110.db2.gz LMYAUHWQUYARCO-UHFFFAOYSA-N 0 3 167.168 0.636 10 5 ACBEHN NCc1cc2c(cc1[N+](=O)[O-])OCO2 82637617 169220165 /nfs/dbraw/zinc/22/01/65/169220165.db2.gz WMHLFXNAHFNOSD-UHFFFAOYSA-N 0 3 196.162 0.782 10 5 ACBEHN NCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 83342629 169220817 /nfs/dbraw/zinc/22/08/17/169220817.db2.gz GJOBHFCBZMPBPR-UHFFFAOYSA-N 0 3 197.150 0.962 10 5 ACBEHN NCc1cc([N+](=O)[O-])cc(N)n1 95766825 169220969 /nfs/dbraw/zinc/22/09/69/169220969.db2.gz VIRVQSXJIMYZFR-UHFFFAOYSA-N 0 3 168.156 0.031 10 5 ACBEHN NCc1cc(N)nc([N+](=O)[O-])c1 95766988 169221030 /nfs/dbraw/zinc/22/10/30/169221030.db2.gz VBVWAMJUIXNRDO-UHFFFAOYSA-N 0 3 168.156 0.031 10 5 ACBEHN NCc1cc([N+](=O)[O-])c2[nH]ncc2c1 89197215 169221041 /nfs/dbraw/zinc/22/10/41/169221041.db2.gz XTJDUCCMKZQYBI-UHFFFAOYSA-N 0 3 192.178 0.930 10 5 ACBEHN NCc1cc(N)cc([N+](=O)[O-])n1 95766662 169221100 /nfs/dbraw/zinc/22/11/00/169221100.db2.gz DTQGFMXOBXYJNT-UHFFFAOYSA-N 0 3 168.156 0.031 10 5 ACBEHN NCc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 34354450 169223262 /nfs/dbraw/zinc/22/32/62/169223262.db2.gz BLHOZYUWNGSTLD-UHFFFAOYSA-N 0 3 197.150 0.962 10 5 ACBEHN [NH3+]Cc1ccc([N+](=O)[O-])c(=O)[n-]1 21985802 169223372 /nfs/dbraw/zinc/22/33/72/169223372.db2.gz QLMJFNLUESAVDY-UHFFFAOYSA-N 0 3 169.140 0.154 10 5 ACBEHN NCc1ccc([N+](=O)[O-])nc1 299889749 169223383 /nfs/dbraw/zinc/22/33/83/169223383.db2.gz ODDOCGSONFOHBK-UHFFFAOYSA-N 0 3 153.141 0.449 10 5 ACBEHN NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 19938677 169223482 /nfs/dbraw/zinc/22/34/82/169223482.db2.gz SVEPUZNLROGYNZ-UHFFFAOYSA-N 0 3 197.150 0.962 10 5 ACBEHN NCc1ccc(NN)c([N+](=O)[O-])c1 44249413 169223880 /nfs/dbraw/zinc/22/38/80/169223880.db2.gz DTYGWTHQKKKFNJ-UHFFFAOYSA-N 0 3 182.183 0.339 10 5 ACBEHN NCc1cn2cc([N+](=O)[O-])ccc2n1 19765372 169225990 /nfs/dbraw/zinc/22/59/90/169225990.db2.gz ZAVLRZHGVIMPAA-UHFFFAOYSA-N 0 3 192.178 0.701 10 5 ACBEHN NCc1cnccc1[N+](=O)[O-] 95642406 169226730 /nfs/dbraw/zinc/22/67/30/169226730.db2.gz QWVUFEUSHYNIIQ-UHFFFAOYSA-N 0 3 153.141 0.449 10 5 ACBEHN NCc1cncc([N+](=O)[O-])c1 83268333 169227853 /nfs/dbraw/zinc/22/78/53/169227853.db2.gz ZNIIYQZQRGUFDJ-UHFFFAOYSA-N 0 3 153.141 0.449 10 5 ACBEHN [NH3+]Cc1nc2cccc([N+](=O)[O-])c2[n-]1 95922861 169229819 /nfs/dbraw/zinc/22/98/19/169229819.db2.gz IRRBFIUVOWZDHT-UHFFFAOYSA-N 0 3 192.178 0.930 10 5 ACBEHN N[C@@H](CCO)c1cccc([N+](=O)[O-])c1 44232565 169244288 /nfs/dbraw/zinc/24/42/88/169244288.db2.gz KKVSRHNIXKKLSK-VIFPVBQESA-N 0 3 196.206 0.977 10 5 ACBEHN N[C@@H](CCO)c1ccccc1[N+](=O)[O-] 44232549 169244755 /nfs/dbraw/zinc/24/47/55/169244755.db2.gz XOCLHYKQNGYVTA-QMMMGPOBSA-N 0 3 196.206 0.977 10 5 ACBEHN N[C@@H](CO)c1ccccc1[N+](=O)[O-] 72197461 169245941 /nfs/dbraw/zinc/24/59/41/169245941.db2.gz ZVFTWSQDUOJVMD-ZETCQYMHSA-N 0 3 182.179 0.587 10 5 ACBEHN N[C@@H](CO)c1ccc([N+](=O)[O-])cc1 72197459 169246125 /nfs/dbraw/zinc/24/61/25/169246125.db2.gz WWDKYXJKHQRFGX-QMMMGPOBSA-N 0 3 182.179 0.587 10 5 ACBEHN N[C@@H]1COc2ccc([N+](=O)[O-])cc21 95636779 169257231 /nfs/dbraw/zinc/25/72/31/169257231.db2.gz QTTBDJWBMZYHBS-SSDOTTSWSA-N 0 3 180.163 0.987 10 5 ACBEHN N[C@H](CO)c1ccccc1[N+](=O)[O-] 72197460 169266413 /nfs/dbraw/zinc/26/64/13/169266413.db2.gz ZVFTWSQDUOJVMD-SSDOTTSWSA-N 0 3 182.179 0.587 10 5 ACBEHN N[C@H](CO)c1ccc([N+](=O)[O-])cc1 72197458 169267271 /nfs/dbraw/zinc/26/72/71/169267271.db2.gz WWDKYXJKHQRFGX-MRVPVSSYSA-N 0 3 182.179 0.587 10 5 ACBEHN N[C@H]1COc2ccc([N+](=O)[O-])cc21 95636641 169276917 /nfs/dbraw/zinc/27/69/17/169276917.db2.gz QTTBDJWBMZYHBS-ZETCQYMHSA-N 0 3 180.163 0.987 10 5 ACBEHN Nc1c([C@H](N)CO)cccc1[N+](=O)[O-] 72197801 169282626 /nfs/dbraw/zinc/28/26/26/169282626.db2.gz VQAADBYDKJOLGK-ZCFIWIBFSA-N 0 3 197.194 0.169 10 5 ACBEHN Nc1c([C@@H](N)CO)cccc1[N+](=O)[O-] 72197802 169282847 /nfs/dbraw/zinc/28/28/47/169282847.db2.gz VQAADBYDKJOLGK-LURJTMIESA-N 0 3 197.194 0.169 10 5 ACBEHN Nc1cc([N+](=O)[O-])ccc1[C@@H](N)CO 72197800 169288558 /nfs/dbraw/zinc/28/85/58/169288558.db2.gz MTFITSSKSPMUGT-QMMMGPOBSA-N 0 3 197.194 0.169 10 5 ACBEHN Nc1cc([N+](=O)[O-])ccc1[C@H](N)CO 72197799 169289385 /nfs/dbraw/zinc/28/93/85/169289385.db2.gz MTFITSSKSPMUGT-MRVPVSSYSA-N 0 3 197.194 0.169 10 5 ACBEHN Nc1ccc([C@H](N)CO)cc1[N+](=O)[O-] 72197803 169293604 /nfs/dbraw/zinc/29/36/04/169293604.db2.gz RABXSYXBLLWLQI-SSDOTTSWSA-N 0 3 197.194 0.169 10 5 ACBEHN Nc1ccc([C@@H](N)CO)cc1[N+](=O)[O-] 72197804 169293935 /nfs/dbraw/zinc/29/39/35/169293935.db2.gz RABXSYXBLLWLQI-ZETCQYMHSA-N 0 3 197.194 0.169 10 5 ACBEHN C[N+](C)(C)c1nc2cncnc2[n-]1 13209550 171026410 /nfs/dbraw/zinc/02/64/10/171026410.db2.gz GJNWHBHBRLPUTK-UHFFFAOYSA-N 0 3 178.219 0.550 10 5 ACBEHN CN1CCC(C[N+](=O)[O-])CC1 82405699 171171810 /nfs/dbraw/zinc/17/18/10/171171810.db2.gz VAIPJTHYTSAIIW-UHFFFAOYSA-N 0 3 158.201 0.605 10 5 ACBEHN CCNc1cc([N+](=O)[O-])cc(NN)n1 233660230 344703404 /nfs/dbraw/zinc/70/34/04/344703404.db2.gz DWEKYPFSYXPWSB-UHFFFAOYSA-N 0 3 197.198 0.707 10 5 ACBEHN Cn1cnc([N+](=O)[O-])c1C1(N)CCC1 307521500 346089680 /nfs/dbraw/zinc/08/96/80/346089680.db2.gz VSIVOGNUGWNWAF-UHFFFAOYSA-N 0 3 196.210 0.666 10 5 ACBEHN CC(c1ccn(C)n1)[N+](=O)[O-] 584647757 346741802 /nfs/dbraw/zinc/74/18/02/346741802.db2.gz XDASUBCHXSSLMZ-YFKPBYRVSA-N 0 3 155.157 0.758 10 5 ACBEHN C=CC(=O)OCC(CC)[N+](=O)[O-] 5923004 343009657 /nfs/dbraw/zinc/00/96/57/343009657.db2.gz KDDXAKYGDJGCLF-LURJTMIESA-N 0 3 173.168 0.771 10 5 ACBEHN C=CC(=O)OCC(CC)[N+](=O)[O-] 5925730 343009927 /nfs/dbraw/zinc/00/99/27/343009927.db2.gz KDDXAKYGDJGCLF-ZCFIWIBFSA-N 0 3 173.168 0.771 10 5 ACBEHN Cc1nc(CN)ccc1[N+](=O)[O-] 44185019 343261831 /nfs/dbraw/zinc/26/18/31/343261831.db2.gz ZZMOFQZJKYCOGZ-UHFFFAOYSA-N 0 3 167.168 0.757 10 5 ACBEHN Cc1nn(C2CNC2)c(C)c1[N+](=O)[O-] 54931666 343331494 /nfs/dbraw/zinc/33/14/94/343331494.db2.gz MROGAWVDCFQCAG-UHFFFAOYSA-N 0 3 196.210 0.552 10 5 ACBEHN O=[N+]([O-])c1ccnc(OC2CNC2)c1 62810102 343380896 /nfs/dbraw/zinc/38/08/96/343380896.db2.gz NXRDTCFLESONML-UHFFFAOYSA-N 0 3 195.178 0.340 10 5 ACBEHN O=[N+]([O-])c1cccnc1OC1CNC1 62810058 343380983 /nfs/dbraw/zinc/38/09/83/343380983.db2.gz QSXUHVJVCRGSMP-UHFFFAOYSA-N 0 3 195.178 0.340 10 5 ACBEHN CC([C@H]1CCS(=O)(=O)C1)[N+](=O)[O-] 64873910 343407568 /nfs/dbraw/zinc/40/75/68/343407568.db2.gz XNHBLPAIHQXNKV-RITPCOANSA-N 0 3 193.224 0.086 10 5 ACBEHN CC([C@@H]1CCS(=O)(=O)C1)[N+](=O)[O-] 64873907 343407633 /nfs/dbraw/zinc/40/76/33/343407633.db2.gz XNHBLPAIHQXNKV-PHDIDXHHSA-N 0 3 193.224 0.086 10 5 ACBEHN Cc1ccc([C@@H](N)CO)cc1[N+](=O)[O-] 72197772 343560632 /nfs/dbraw/zinc/56/06/32/343560632.db2.gz YEVMGNXCWOXLAQ-QMMMGPOBSA-N 0 3 196.206 0.895 10 5 ACBEHN Cc1ccc([C@H](N)CO)cc1[N+](=O)[O-] 72197771 343560965 /nfs/dbraw/zinc/56/09/65/343560965.db2.gz YEVMGNXCWOXLAQ-MRVPVSSYSA-N 0 3 196.206 0.895 10 5 ACBEHN O=[N+]([O-])c1cccnc1NC1CNC1 85256691 343642239 /nfs/dbraw/zinc/64/22/39/343642239.db2.gz CBZGNBIMRMNTJF-UHFFFAOYSA-N 0 3 194.194 0.374 10 5 ACBEHN Cc1c([N+](=O)[O-])ccnc1CN 95751473 343687126 /nfs/dbraw/zinc/68/71/26/343687126.db2.gz OREDWZRGAAVVIQ-UHFFFAOYSA-N 0 3 167.168 0.757 10 5 ACBEHN CC[C@@H]1CC(=O)NCC1[N+](=O)[O-] 96032623 343693175 /nfs/dbraw/zinc/69/31/75/343693175.db2.gz FBINXKGEZALEAC-RITPCOANSA-N 0 3 172.184 0.178 10 5 ACBEHN CC(C)[C@@H]1CC(=O)NCC1[N+](=O)[O-] 96032635 343693181 /nfs/dbraw/zinc/69/31/81/343693181.db2.gz VZFAYXHSSBSJIO-NKWVEPMBSA-N 0 3 186.211 0.424 10 5 ACBEHN CC[C@H]1CCNC[C@@H]1[N+](=O)[O-] 96032628 343693206 /nfs/dbraw/zinc/69/32/06/343693206.db2.gz QSPMBYNYHSHFSX-BQBZGAKWSA-N 0 3 158.201 0.651 10 5 ACBEHN C[C@H]1CCNC[C@@H]1[N+](=O)[O-] 96032617 343693216 /nfs/dbraw/zinc/69/32/16/343693216.db2.gz PCPCXTIUFYBJST-WDSKDSINSA-N 0 3 144.174 0.261 10 5 ACBEHN CC1(C)CC(=O)NCC1[N+](=O)[O-] 96032590 343693224 /nfs/dbraw/zinc/69/32/24/343693224.db2.gz UKCBRWJDFSCOHK-YFKPBYRVSA-N 0 3 172.184 0.178 10 5 ACBEHN CC(C)[C@H]1CCNC[C@@H]1[N+](=O)[O-] 96032638 343693280 /nfs/dbraw/zinc/69/32/80/343693280.db2.gz CIZLREKKQLYNCE-SFYZADRCSA-N 0 3 172.228 0.897 10 5 ACBEHN CC[C@H]1CC(=O)NCC1[N+](=O)[O-] 96032624 343693296 /nfs/dbraw/zinc/69/32/96/343693296.db2.gz FBINXKGEZALEAC-WDSKDSINSA-N 0 3 172.184 0.178 10 5 ACBEHN CC[C@@H]1CC(=O)NCC1[N+](=O)[O-] 96032625 343693305 /nfs/dbraw/zinc/69/33/05/343693305.db2.gz FBINXKGEZALEAC-PHDIDXHHSA-N 0 3 172.184 0.178 10 5 ACBEHN CC(C)[C@@H]1CC(=O)NCC1[N+](=O)[O-] 96032633 343693338 /nfs/dbraw/zinc/69/33/38/343693338.db2.gz VZFAYXHSSBSJIO-BQBZGAKWSA-N 0 3 186.211 0.424 10 5 ACBEHN CC(C)[C@H]1CC(=O)NCC1[N+](=O)[O-] 96032636 343693350 /nfs/dbraw/zinc/69/33/50/343693350.db2.gz VZFAYXHSSBSJIO-RNFRBKRXSA-N 0 3 186.211 0.424 10 5 ACBEHN CC(C)[C@@H]1CCNC[C@@H]1[N+](=O)[O-] 96032637 343693362 /nfs/dbraw/zinc/69/33/62/343693362.db2.gz CIZLREKKQLYNCE-YUMQZZPRSA-N 0 3 172.228 0.897 10 5 ACBEHN CC[C@@H]1CCNC[C@@H]1[N+](=O)[O-] 96032627 343693380 /nfs/dbraw/zinc/69/33/80/343693380.db2.gz QSPMBYNYHSHFSX-RQJHMYQMSA-N 0 3 158.201 0.651 10 5 ACBEHN CC[C@H]1CCNC[C@H]1[N+](=O)[O-] 96032630 343693383 /nfs/dbraw/zinc/69/33/83/343693383.db2.gz QSPMBYNYHSHFSX-NKWVEPMBSA-N 0 3 158.201 0.651 10 5 ACBEHN CC[C@H]1CC(=O)NCC1[N+](=O)[O-] 96032626 343693390 /nfs/dbraw/zinc/69/33/90/343693390.db2.gz FBINXKGEZALEAC-NTSWFWBYSA-N 0 3 172.184 0.178 10 5 ACBEHN CC(C)[C@@H]1CCNC[C@H]1[N+](=O)[O-] 96032639 343693404 /nfs/dbraw/zinc/69/34/04/343693404.db2.gz CIZLREKKQLYNCE-JGVFFNPUSA-N 0 3 172.228 0.897 10 5 ACBEHN CC1(C)CCNC[C@@H]1[N+](=O)[O-] 96032588 343693440 /nfs/dbraw/zinc/69/34/40/343693440.db2.gz JEAOKYTWJJSCIS-LURJTMIESA-N 0 3 158.201 0.651 10 5 ACBEHN C[C@H]1CCNC[C@H]1[N+](=O)[O-] 96032619 343693489 /nfs/dbraw/zinc/69/34/89/343693489.db2.gz PCPCXTIUFYBJST-NTSWFWBYSA-N 0 3 144.174 0.261 10 5 ACBEHN CC1(C)CC(=O)NCC1[N+](=O)[O-] 96032591 343693501 /nfs/dbraw/zinc/69/35/01/343693501.db2.gz UKCBRWJDFSCOHK-RXMQYKEDSA-N 0 3 172.184 0.178 10 5 ACBEHN CC1(C)CCNC[C@H]1[N+](=O)[O-] 96032589 343693521 /nfs/dbraw/zinc/69/35/21/343693521.db2.gz JEAOKYTWJJSCIS-ZCFIWIBFSA-N 0 3 158.201 0.651 10 5 ACBEHN CC(C)[C@H]1CC(=O)NCC1[N+](=O)[O-] 96032634 343693527 /nfs/dbraw/zinc/69/35/27/343693527.db2.gz VZFAYXHSSBSJIO-RQJHMYQMSA-N 0 3 186.211 0.424 10 5 ACBEHN CC[C@@H]1CCNC[C@H]1[N+](=O)[O-] 96032629 343693534 /nfs/dbraw/zinc/69/35/34/343693534.db2.gz QSPMBYNYHSHFSX-RNFRBKRXSA-N 0 3 158.201 0.651 10 5 ACBEHN CC(C)[C@H]1CCNC[C@H]1[N+](=O)[O-] 96032640 343693537 /nfs/dbraw/zinc/69/35/37/343693537.db2.gz CIZLREKKQLYNCE-HTQZYQBOSA-N 0 3 172.228 0.897 10 5 ACBEHN CN(C)Nc1ccc([N+](=O)[O-])c(N)n1 148227888 344051648 /nfs/dbraw/zinc/05/16/48/344051648.db2.gz FYPWVNDZQFNAIV-UHFFFAOYSA-N 0 3 197.198 0.461 10 5 ACBEHN CCCC(C(=O)OC)[N+](=O)[O-] 196231350 344356573 /nfs/dbraw/zinc/35/65/73/344356573.db2.gz GBNHPLOGFRTHOD-RXMQYKEDSA-N 0 3 161.157 0.605 10 5 ACBEHN CCC[C@@H](C(=O)OC)[N+](=O)[O-] 196231343 344356653 /nfs/dbraw/zinc/35/66/53/344356653.db2.gz GBNHPLOGFRTHOD-YFKPBYRVSA-N 0 3 161.157 0.605 10 5 ACBEHN CNc1cc([N+](=O)[O-])cc(NN)n1 234485474 344721893 /nfs/dbraw/zinc/72/18/93/344721893.db2.gz VFVQZDWRAPHTPE-UHFFFAOYSA-N 0 3 183.171 0.317 10 5 ACBEHN NCc1cccc(N)c1[N+](=O)[O-] 238684690 344818945 /nfs/dbraw/zinc/81/89/45/344818945.db2.gz HFSXDOBHVWOQFE-UHFFFAOYSA-N 0 3 167.168 0.636 10 5 ACBEHN Cn1cc([N+](=O)[O-])c(C(C)(C)N)n1 306197159 345086349 /nfs/dbraw/zinc/08/63/49/345086349.db2.gz OIGPTHDCSIYCBZ-UHFFFAOYSA-N 0 3 184.199 0.522 10 5 ACBEHN NC1(c2ccc([N+](=O)[O-])cn2)CC1 306406923 345266142 /nfs/dbraw/zinc/26/61/42/345266142.db2.gz FABLDURAJWPJOA-UHFFFAOYSA-N 0 3 179.179 0.938 10 5 ACBEHN NC1(c2ccncc2[N+](=O)[O-])CC1 306529430 345400917 /nfs/dbraw/zinc/40/09/17/345400917.db2.gz IDXMOQMGXIDTPD-UHFFFAOYSA-N 0 3 179.179 0.938 10 5 ACBEHN NC1(c2cc([N+](=O)[O-])ccn2)CC1 306845583 345653645 /nfs/dbraw/zinc/65/36/45/345653645.db2.gz GYKFVRRWVWPOEL-UHFFFAOYSA-N 0 3 179.179 0.938 10 5 ACBEHN NC1(c2ccc([N+](=O)[O-])nc2)CC1 307645228 346165166 /nfs/dbraw/zinc/16/51/66/346165166.db2.gz XRUWNTWKGDFPED-UHFFFAOYSA-N 0 3 179.179 0.938 10 5 ACBEHN CN(C)CCn1nccc1[N+](=O)[O-] 308293575 346283657 /nfs/dbraw/zinc/28/36/57/346283657.db2.gz GPDSEMSWGOGJCQ-UHFFFAOYSA-N 0 3 184.199 0.353 10 5 ACBEHN CC(c1ccn(C)n1)[N+](=O)[O-] 584647752 346741786 /nfs/dbraw/zinc/74/17/86/346741786.db2.gz XDASUBCHXSSLMZ-RXMQYKEDSA-N 0 3 155.157 0.758 10 5 ACBEHN Cc1nn(CCN(C)C)cc1[N+](=O)[O-] 590739158 346791654 /nfs/dbraw/zinc/79/16/54/346791654.db2.gz GPZUYVOCTNUSIB-UHFFFAOYSA-N 0 3 198.226 0.661 10 5 ACBEHN Cc1cc([N+](=O)[O-])cn(CCN)c1=O 592161986 346828307 /nfs/dbraw/zinc/82/83/07/346828307.db2.gz UCKNHGUSPDTGOT-UHFFFAOYSA-N 0 3 197.194 0.024 10 5 ACBEHN Cc1nn(C2CNC2)cc1[N+](=O)[O-] 592165227 346828480 /nfs/dbraw/zinc/82/84/80/346828480.db2.gz BZKRQZBZDKQRPH-UHFFFAOYSA-N 0 3 182.183 0.244 10 5 ACBEHN CC([C@H]1CCS(=O)(=O)C1)[N+](=O)[O-] 64873908 351591555 /nfs/dbraw/zinc/59/15/55/351591555.db2.gz XNHBLPAIHQXNKV-WDSKDSINSA-N 0 3 193.224 0.086 10 5 ACBEHN CC([C@@H]1CCS(=O)(=O)C1)[N+](=O)[O-] 64873906 351591765 /nfs/dbraw/zinc/59/17/65/351591765.db2.gz XNHBLPAIHQXNKV-NTSWFWBYSA-N 0 3 193.224 0.086 10 5 ACBEHN C[C@@H]1CCNC[C@@H]1[N+](=O)[O-] 96032616 351678454 /nfs/dbraw/zinc/67/84/54/351678454.db2.gz PCPCXTIUFYBJST-RITPCOANSA-N 0 3 144.174 0.261 10 5 ACBEHN C[C@@H]1CCNC[C@H]1[N+](=O)[O-] 96032618 351678571 /nfs/dbraw/zinc/67/85/71/351678571.db2.gz PCPCXTIUFYBJST-PHDIDXHHSA-N 0 3 144.174 0.261 10 5 ACBEHN Cn1cnc([N+](=O)[O-])c1C(C)(C)N 306288642 351917037 /nfs/dbraw/zinc/91/70/37/351917037.db2.gz MZKUPRJSYUOABX-UHFFFAOYSA-N 0 3 184.199 0.522 10 5 ACBEHN NCc1ccc(N)cc1[N+](=O)[O-] 165516352 371678181 /nfs/dbraw/zinc/67/81/81/371678181.db2.gz IFIOCSOJQSSNEA-UHFFFAOYSA-N 0 3 167.168 0.636 10 5 ACBEHN CC([C@@H]1CCCO1)[N+](=O)[O-] 257984764 573272362 /nfs/dbraw/zinc/27/23/62/573272362.db2.gz BGQYYVWFKKKFDR-WDSKDSINSA-N 0 3 145.158 0.831 10 5 ACBEHN CN1CCC[C@H]1C[N+](=O)[O-] 258629597 573326179 /nfs/dbraw/zinc/32/61/79/573326179.db2.gz XPXLFUDRBZKNKX-LURJTMIESA-N 0 3 144.174 0.357 10 5 ACBEHN NCc1cn2cc([N+](=O)[O-])cnc2n1 84858306 573334495 /nfs/dbraw/zinc/33/44/95/573334495.db2.gz APKDFFQTDRITDO-UHFFFAOYSA-N 0 3 193.166 0.096 10 5 ACBEHN C[C@@H](C1CCN(C)CC1)[N+](=O)[O-] 257824078 573519821 /nfs/dbraw/zinc/51/98/21/573519821.db2.gz GRSNAACPBFRPFS-ZETCQYMHSA-N 0 3 172.228 0.993 10 5 ACBEHN C[C@@H]([NH3+])Cc1c[n-]c(=O)c([N+](=O)[O-])c1 238435918 573546419 /nfs/dbraw/zinc/54/64/19/573546419.db2.gz FNUJKWYBXJRSDC-RXMQYKEDSA-N 0 3 197.194 0.585 10 5 ACBEHN Cc1ccc([N+](=O)[O-])cc1[C@@H](N)CN 72200452 573794731 /nfs/dbraw/zinc/79/47/31/573794731.db2.gz MLVQIJBSOPEUOP-VIFPVBQESA-N 0 3 195.222 0.862 10 5 ACBEHN Cc1ccc([C@H](N)CN)c([N+](=O)[O-])c1 72200453 573795306 /nfs/dbraw/zinc/79/53/06/573795306.db2.gz FVKYMRNHROOUGM-MRVPVSSYSA-N 0 3 195.222 0.862 10 5 ACBEHN Cc1ccc([C@H](N)CO)c([N+](=O)[O-])c1 72197781 573795540 /nfs/dbraw/zinc/79/55/40/573795540.db2.gz WYQHDPLJGQHYGN-MRVPVSSYSA-N 0 3 196.206 0.895 10 5 ACBEHN Cc1ccc([N+](=O)[O-])cc1[C@@H](N)CO 72197780 573795973 /nfs/dbraw/zinc/79/59/73/573795973.db2.gz ADISPFSUHLIZGZ-VIFPVBQESA-N 0 3 196.206 0.895 10 5 ACBEHN CC(COC(=O)[C@H]1C[C@H]1C)[N+](=O)[O-] 308283440 629854034 /nfs/dbraw/zinc/85/40/34/629854034.db2.gz XULCQCTWJICKED-QYNIQEEDSA-N 0 3 187.195 0.851 10 5 ACBEHN C[C@@H](NCC[N+](=O)[O-])[C@H]1CCCO1 308344752 629859714 /nfs/dbraw/zinc/85/97/14/629859714.db2.gz UKEGXSGWEJLWLK-HTQZYQBOSA-N 0 3 188.227 0.420 10 5 ACBEHN CO[C@H](C)C(=O)OCC(C)[N+](=O)[O-] 308355840 629859794 /nfs/dbraw/zinc/85/97/94/629859794.db2.gz KQRXPMGMCCQSFW-NTSWFWBYSA-N 0 3 191.183 0.230 10 5 ACBEHN C[C@H](NCC[N+](=O)[O-])[C@@H]1CCCO1 308344755 629859893 /nfs/dbraw/zinc/85/98/93/629859893.db2.gz UKEGXSGWEJLWLK-YUMQZZPRSA-N 0 3 188.227 0.420 10 5 ACBEHN CO[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] 308355844 629860154 /nfs/dbraw/zinc/86/01/54/629860154.db2.gz KQRXPMGMCCQSFW-WDSKDSINSA-N 0 3 191.183 0.230 10 5 ACBEHN CO[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] 308355843 629860208 /nfs/dbraw/zinc/86/02/08/629860208.db2.gz KQRXPMGMCCQSFW-RITPCOANSA-N 0 3 191.183 0.230 10 5 ACBEHN C[C@H](NCC[N+](=O)[O-])[C@H]1CCCO1 308344753 629860540 /nfs/dbraw/zinc/86/05/40/629860540.db2.gz UKEGXSGWEJLWLK-JGVFFNPUSA-N 0 3 188.227 0.420 10 5 ACBEHN CO[C@H](C)C(=O)OCC(C)[N+](=O)[O-] 308355842 629860725 /nfs/dbraw/zinc/86/07/25/629860725.db2.gz KQRXPMGMCCQSFW-PHDIDXHHSA-N 0 3 191.183 0.230 10 5 ACBEHN CC(=O)OCC(C)[N+](=O)[O-] 34091708 629924399 /nfs/dbraw/zinc/92/43/99/629924399.db2.gz BAQZQYQQCNGASG-SCSAIBSYSA-N 0 3 147.130 0.215 10 5 ACBEHN CC(=O)OCC(C)[N+](=O)[O-] 34091707 630249195 /nfs/dbraw/zinc/24/91/95/630249195.db2.gz BAQZQYQQCNGASG-BYPYZUCNSA-N 0 3 147.130 0.215 10 5 ACBEHN CC12CC(CN1CC[N+](=O)[O-])C2 931079085 631119771 /nfs/dbraw/zinc/11/97/71/631119771.db2.gz GAKQOUWLZKUEKG-UHFFFAOYSA-N 0 3 170.212 0.747 10 5 ACBEHN C[C@@H]1CC[C@H](CO)N1CC[N+](=O)[O-] 931698391 631126682 /nfs/dbraw/zinc/12/66/82/631126682.db2.gz KGUABXUEHMDLNZ-HTQZYQBOSA-N 0 3 188.227 0.108 10 5 ACBEHN