smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000125910222 1032723212 /nfs/dbraw/zinc/72/32/12/1032723212.db2.gz QEVPBCUAWFOHBF-QAPCUYQASA-N 2 1 319.449 3.756 20 5 DHBDMP C[C@@H]([NH2+]CC[C@@H](C)[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000184506008 1018083130 /nfs/dbraw/zinc/08/31/30/1018083130.db2.gz QWSOOZXFRXUZIN-HUUCEWRRSA-N 2 1 305.422 3.510 20 5 DHBDMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000162381387 1020485248 /nfs/dbraw/zinc/48/52/48/1020485248.db2.gz DQPPMXZAUPIVGS-GJZGRUSLSA-N 2 1 305.422 3.510 20 5 DHBDMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000162381387 1020485251 /nfs/dbraw/zinc/48/52/51/1020485251.db2.gz DQPPMXZAUPIVGS-GJZGRUSLSA-N 2 1 305.422 3.510 20 5 DHBDMP CCC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000414185540 1020973223 /nfs/dbraw/zinc/97/32/23/1020973223.db2.gz OXRVKRGZQWDKCP-CRAIPNDOSA-N 2 1 319.449 3.758 20 5 DHBDMP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000322117201 1025731084 /nfs/dbraw/zinc/73/10/84/1025731084.db2.gz QJDLFTWXUBZWOS-OAHLLOKOSA-N 2 1 319.449 3.900 20 5 DHBDMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000322117201 1025731087 /nfs/dbraw/zinc/73/10/87/1025731087.db2.gz QJDLFTWXUBZWOS-OAHLLOKOSA-N 2 1 319.449 3.900 20 5 DHBDMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423471789 1027559049 /nfs/dbraw/zinc/55/90/49/1027559049.db2.gz PZTZJJJKADQWCA-NEPJUHHUSA-N 2 1 319.430 3.711 20 5 DHBDMP CC(C)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000577634693 1027855169 /nfs/dbraw/zinc/85/51/69/1027855169.db2.gz VBWXJISNIJBNIJ-INIZCTEOSA-N 2 1 319.449 3.538 20 5 DHBDMP CC(C)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000577634693 1027855189 /nfs/dbraw/zinc/85/51/89/1027855189.db2.gz VBWXJISNIJBNIJ-INIZCTEOSA-N 2 1 319.449 3.538 20 5 DHBDMP CC[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000193024056 1035864722 /nfs/dbraw/zinc/86/47/22/1035864722.db2.gz GHRZLEIRTMVLOF-QGZVFWFLSA-N 2 1 305.422 3.512 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000490103797 1037603719 /nfs/dbraw/zinc/60/37/19/1037603719.db2.gz QTZMEXCGEOEUIG-CVEARBPZSA-N 2 1 319.449 3.770 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000490103797 1037603733 /nfs/dbraw/zinc/60/37/33/1037603733.db2.gz QTZMEXCGEOEUIG-CVEARBPZSA-N 2 1 319.449 3.770 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000490103797 1037603746 /nfs/dbraw/zinc/60/37/46/1037603746.db2.gz QTZMEXCGEOEUIG-CVEARBPZSA-N 2 1 319.449 3.770 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000490103797 1037603761 /nfs/dbraw/zinc/60/37/61/1037603761.db2.gz QTZMEXCGEOEUIG-CVEARBPZSA-N 2 1 319.449 3.770 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000490103797 1037603772 /nfs/dbraw/zinc/60/37/72/1037603772.db2.gz QTZMEXCGEOEUIG-CVEARBPZSA-N 2 1 319.449 3.770 20 5 DHBDMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000164643681 1038235598 /nfs/dbraw/zinc/23/55/98/1038235598.db2.gz QTFYWOWVPNASBT-CQSZACIVSA-N 2 1 316.405 3.539 20 5 DHBDMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000122129030 1040984018 /nfs/dbraw/zinc/98/40/18/1040984018.db2.gz BYCBXEDJYIXQOZ-GJZGRUSLSA-N 2 1 305.422 3.510 20 5 DHBDMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000122129030 1040984043 /nfs/dbraw/zinc/98/40/43/1040984043.db2.gz BYCBXEDJYIXQOZ-GJZGRUSLSA-N 2 1 305.422 3.510 20 5 DHBDMP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000122139765 132161386 /nfs/dbraw/zinc/16/13/86/132161386.db2.gz DGRYTYCPHDKOSI-LBPRGKRZSA-N 2 1 305.422 3.555 20 5 DHBDMP CC(C)[N@H+](CCC[NH+]1CCCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000508172039 340240040 /nfs/dbraw/zinc/24/00/40/340240040.db2.gz BMMXSQKUMZHBPC-UHFFFAOYSA-N 2 1 319.449 3.681 20 5 DHBDMP CC(C)[N@@H+](CCC[NH+]1CCCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000508172039 340240041 /nfs/dbraw/zinc/24/00/41/340240041.db2.gz BMMXSQKUMZHBPC-UHFFFAOYSA-N 2 1 319.449 3.681 20 5 DHBDMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000245470528 341295924 /nfs/dbraw/zinc/29/59/24/341295924.db2.gz WLZWQHRNNABGJN-HZPDHXFCSA-N 2 1 319.449 3.900 20 5 DHBDMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000245470529 341295998 /nfs/dbraw/zinc/29/59/98/341295998.db2.gz WLZWQHRNNABGJN-JKSUJKDBSA-N 2 1 319.449 3.900 20 5 DHBDMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000125910007 1032723439 /nfs/dbraw/zinc/72/34/39/1032723439.db2.gz QEVPBCUAWFOHBF-MAUKXSAKSA-N 2 1 319.449 3.756 20 5 DHBDMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423471791 1027558066 /nfs/dbraw/zinc/55/80/66/1027558066.db2.gz PZTZJJJKADQWCA-RYUDHWBXSA-N 2 1 319.430 3.711 20 5 DHBDMP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000480604622 1034346999 /nfs/dbraw/zinc/34/69/99/1034346999.db2.gz YXNJAZOZIUIHLF-OAGGEKHMSA-N 2 1 319.449 3.613 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000490103806 1037603092 /nfs/dbraw/zinc/60/30/92/1037603092.db2.gz QTZMEXCGEOEUIG-JKSUJKDBSA-N 2 1 319.449 3.770 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000490103806 1037603106 /nfs/dbraw/zinc/60/31/06/1037603106.db2.gz QTZMEXCGEOEUIG-JKSUJKDBSA-N 2 1 319.449 3.770 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000490103806 1037603118 /nfs/dbraw/zinc/60/31/18/1037603118.db2.gz QTZMEXCGEOEUIG-JKSUJKDBSA-N 2 1 319.449 3.770 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000490103806 1037603127 /nfs/dbraw/zinc/60/31/27/1037603127.db2.gz QTZMEXCGEOEUIG-JKSUJKDBSA-N 2 1 319.449 3.770 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000490103806 1037603133 /nfs/dbraw/zinc/60/31/33/1037603133.db2.gz QTZMEXCGEOEUIG-JKSUJKDBSA-N 2 1 319.449 3.770 20 5 DHBDMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000164475431 1038201001 /nfs/dbraw/zinc/20/10/01/1038201001.db2.gz PWBVJIIVMGEHGV-HNNXBMFYSA-N 2 1 319.449 3.818 20 5 DHBDMP CC[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000320737906 335134454 /nfs/dbraw/zinc/13/44/54/335134454.db2.gz YLCZINKXJZJFTB-SFHVURJKSA-N 2 1 319.449 3.758 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000531989703 334365158 /nfs/dbraw/zinc/36/51/58/334365158.db2.gz SSXYXFQAWRVDNP-OAHLLOKOSA-N 2 1 319.449 3.674 20 5 DHBDMP Cc1ccc([C@@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000543416892 341043349 /nfs/dbraw/zinc/04/33/49/341043349.db2.gz XQZDIYMSQXJEHF-JKSUJKDBSA-N 2 1 319.449 3.818 20 5 DHBDMP Cc1ccc([C@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000543416890 341043369 /nfs/dbraw/zinc/04/33/69/341043369.db2.gz XQZDIYMSQXJEHF-HOTGVXAUSA-N 2 1 319.449 3.818 20 5 DHBDMP Cc1c([C@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)cccc1[N+](=O)[O-] ZINC000545519268 341128153 /nfs/dbraw/zinc/12/81/53/341128153.db2.gz YKSVAYZQPQSJKI-HNNXBMFYSA-N 2 1 319.449 3.676 20 5 DHBDMP CC[C@@H]([NH2+]CC[C@@H](C)[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000346870039 1016617704 /nfs/dbraw/zinc/61/77/04/1016617704.db2.gz DTSZAYQGBSMCKJ-CRAIPNDOSA-N 2 1 319.449 3.900 20 5 DHBDMP CC[C@H]([NH2+]CC[C@@H](C)[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000346870041 1016618251 /nfs/dbraw/zinc/61/82/51/1016618251.db2.gz DTSZAYQGBSMCKJ-QAPCUYQASA-N 2 1 319.449 3.900 20 5 DHBDMP CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000370671224 1019711198 /nfs/dbraw/zinc/71/11/98/1019711198.db2.gz OPRITEJKMGTBPS-NUJGCVRESA-N 2 1 317.433 3.652 20 5 DHBDMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000090586635 1037124912 /nfs/dbraw/zinc/12/49/12/1037124912.db2.gz MWEQXBYTKOBGDY-HOTGVXAUSA-N 2 1 319.449 3.613 20 5 DHBDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000090586635 1037124920 /nfs/dbraw/zinc/12/49/20/1037124920.db2.gz MWEQXBYTKOBGDY-HOTGVXAUSA-N 2 1 319.449 3.613 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000490103800 1037605262 /nfs/dbraw/zinc/60/52/62/1037605262.db2.gz QTZMEXCGEOEUIG-HOTGVXAUSA-N 2 1 319.449 3.770 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000490103800 1037605267 /nfs/dbraw/zinc/60/52/67/1037605267.db2.gz QTZMEXCGEOEUIG-HOTGVXAUSA-N 2 1 319.449 3.770 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000490103800 1037605271 /nfs/dbraw/zinc/60/52/71/1037605271.db2.gz QTZMEXCGEOEUIG-HOTGVXAUSA-N 2 1 319.449 3.770 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000490103800 1037605277 /nfs/dbraw/zinc/60/52/77/1037605277.db2.gz QTZMEXCGEOEUIG-HOTGVXAUSA-N 2 1 319.449 3.770 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000490103800 1037605279 /nfs/dbraw/zinc/60/52/79/1037605279.db2.gz QTZMEXCGEOEUIG-HOTGVXAUSA-N 2 1 319.449 3.770 20 5 DHBDMP Cc1ccc([C@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000120547845 132144630 /nfs/dbraw/zinc/14/46/30/132144630.db2.gz STVCJFNQCNAOFS-ZDUSSCGKSA-N 2 1 319.449 3.863 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000125851630 1024332108 /nfs/dbraw/zinc/33/21/08/1024332108.db2.gz LXTLLSJXQJDQMC-HZPDHXFCSA-N 2 1 319.449 3.674 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000125851630 1024332124 /nfs/dbraw/zinc/33/21/24/1024332124.db2.gz LXTLLSJXQJDQMC-HZPDHXFCSA-N 2 1 319.449 3.674 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000125851630 1024332136 /nfs/dbraw/zinc/33/21/36/1024332136.db2.gz LXTLLSJXQJDQMC-HZPDHXFCSA-N 2 1 319.449 3.674 20 5 DHBDMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000530952911 1030093504 /nfs/dbraw/zinc/09/35/04/1030093504.db2.gz ACUZVRDGWVXWRY-AEFFLSMTSA-N 2 1 319.449 3.585 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000125851176 1037973374 /nfs/dbraw/zinc/97/33/74/1037973374.db2.gz LXTLLSJXQJDQMC-CVEARBPZSA-N 2 1 319.449 3.674 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000125851176 1037973384 /nfs/dbraw/zinc/97/33/84/1037973384.db2.gz LXTLLSJXQJDQMC-CVEARBPZSA-N 2 1 319.449 3.674 20 5 DHBDMP CC(C)c1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000598994379 1038984591 /nfs/dbraw/zinc/98/45/91/1038984591.db2.gz LPZPJJBUMBOWGB-MRXNPFEDSA-N 2 1 319.449 3.540 20 5 DHBDMP CC(C)c1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000598994379 1038984605 /nfs/dbraw/zinc/98/46/05/1038984605.db2.gz LPZPJJBUMBOWGB-MRXNPFEDSA-N 2 1 319.449 3.540 20 5 DHBDMP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000467836860 339247310 /nfs/dbraw/zinc/24/73/10/339247310.db2.gz TUCXCLVKMDNFII-XHSDSOJGSA-N 2 1 319.449 3.613 20 5 DHBDMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000467836860 339247311 /nfs/dbraw/zinc/24/73/11/339247311.db2.gz TUCXCLVKMDNFII-XHSDSOJGSA-N 2 1 319.449 3.613 20 5 DHBDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000246999335 341359816 /nfs/dbraw/zinc/35/98/16/341359816.db2.gz KOEFYIJWZGKYOR-JKSUJKDBSA-N 2 1 319.449 3.758 20 5 DHBDMP Cc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000319920785 1014278807 /nfs/dbraw/zinc/27/88/07/1014278807.db2.gz BQSAQRMLLZGHBV-HOTGVXAUSA-N 2 1 319.449 3.818 20 5 DHBDMP Cc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000319920785 1014278815 /nfs/dbraw/zinc/27/88/15/1014278815.db2.gz BQSAQRMLLZGHBV-HOTGVXAUSA-N 2 1 319.449 3.818 20 5 DHBDMP CC(C)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000577634697 1012062274 /nfs/dbraw/zinc/06/22/74/1012062274.db2.gz VBWXJISNIJBNIJ-MRXNPFEDSA-N 2 1 319.449 3.538 20 5 DHBDMP CC(C)c1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000577634697 1012062293 /nfs/dbraw/zinc/06/22/93/1012062293.db2.gz VBWXJISNIJBNIJ-MRXNPFEDSA-N 2 1 319.449 3.538 20 5 DHBDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000052209339 1018218746 /nfs/dbraw/zinc/21/87/46/1018218746.db2.gz WPQDJKPFQNBAOF-UHFFFAOYSA-N 2 1 319.449 3.539 20 5 DHBDMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000538430096 1033061150 /nfs/dbraw/zinc/06/11/50/1033061150.db2.gz ROLKEJYPXKMQDU-SJLPKXTDSA-N 2 1 319.449 3.585 20 5 DHBDMP C[C@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000184505954 1022945588 /nfs/dbraw/zinc/94/55/88/1022945588.db2.gz QWSOOZXFRXUZIN-GJZGRUSLSA-N 2 1 305.422 3.510 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000125851373 1024331433 /nfs/dbraw/zinc/33/14/33/1024331433.db2.gz LXTLLSJXQJDQMC-HOTGVXAUSA-N 2 1 319.449 3.674 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000125851373 1024331447 /nfs/dbraw/zinc/33/14/47/1024331447.db2.gz LXTLLSJXQJDQMC-HOTGVXAUSA-N 2 1 319.449 3.674 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000125851373 1024331462 /nfs/dbraw/zinc/33/14/62/1024331462.db2.gz LXTLLSJXQJDQMC-HOTGVXAUSA-N 2 1 319.449 3.674 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000532188089 1024570890 /nfs/dbraw/zinc/57/08/90/1024570890.db2.gz AKRCRWMPHOMCKJ-HOTGVXAUSA-N 2 1 319.449 3.818 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000532188089 1024570892 /nfs/dbraw/zinc/57/08/92/1024570892.db2.gz AKRCRWMPHOMCKJ-HOTGVXAUSA-N 2 1 319.449 3.818 20 5 DHBDMP CCC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000316898508 1037164140 /nfs/dbraw/zinc/16/41/40/1037164140.db2.gz ZBNBRYCPECSUDZ-KMFMINBZSA-N 2 1 305.422 3.508 20 5 DHBDMP CCC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000316898508 1037164149 /nfs/dbraw/zinc/16/41/49/1037164149.db2.gz ZBNBRYCPECSUDZ-KMFMINBZSA-N 2 1 305.422 3.508 20 5 DHBDMP CCC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000192950573 336285742 /nfs/dbraw/zinc/28/57/42/336285742.db2.gz KOKKACHJHREXPW-SFHVURJKSA-N 2 1 319.449 3.898 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCN(C2CCC2)CC1 ZINC000532204589 1024578259 /nfs/dbraw/zinc/57/82/59/1024578259.db2.gz GOVJTYSJWXIDMM-CQSZACIVSA-N 2 1 317.433 3.571 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000532204589 1024578266 /nfs/dbraw/zinc/57/82/66/1024578266.db2.gz GOVJTYSJWXIDMM-CQSZACIVSA-N 2 1 317.433 3.571 20 5 DHBDMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423286240 1027482548 /nfs/dbraw/zinc/48/25/48/1027482548.db2.gz GFOUGORGKPZUFN-NSHDSACASA-N 2 1 319.430 3.711 20 5 DHBDMP CC[N@@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]CC1 ZINC000414709947 334072151 /nfs/dbraw/zinc/07/21/51/334072151.db2.gz FPSDWKNZYJPWBI-MRXNPFEDSA-N 2 1 319.449 3.682 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000531938899 334299728 /nfs/dbraw/zinc/29/97/28/334299728.db2.gz UBEHYOQFYAITNE-HOCLYGCPSA-N 2 1 319.449 3.676 20 5 DHBDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000173325064 340362375 /nfs/dbraw/zinc/36/23/75/340362375.db2.gz LKXJDAYGDLBFKO-CVEARBPZSA-N 2 1 319.449 3.758 20 5 DHBDMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000246415842 341348015 /nfs/dbraw/zinc/34/80/15/341348015.db2.gz MWEQXBYTKOBGDY-CVEARBPZSA-N 2 1 319.449 3.613 20 5 DHBDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000246415842 341348016 /nfs/dbraw/zinc/34/80/16/341348016.db2.gz MWEQXBYTKOBGDY-CVEARBPZSA-N 2 1 319.449 3.613 20 5 DHBDMP Cc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000319920783 1014277717 /nfs/dbraw/zinc/27/77/17/1014277717.db2.gz BQSAQRMLLZGHBV-CVEARBPZSA-N 2 1 319.449 3.818 20 5 DHBDMP Cc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000319920783 1014277726 /nfs/dbraw/zinc/27/77/26/1014277726.db2.gz BQSAQRMLLZGHBV-CVEARBPZSA-N 2 1 319.449 3.818 20 5 DHBDMP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000479587157 1017012420 /nfs/dbraw/zinc/01/24/20/1017012420.db2.gz CZEZSVFIQKJSGJ-UHFFFAOYSA-N 2 1 319.449 3.729 20 5 DHBDMP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000480604624 1034345636 /nfs/dbraw/zinc/34/56/36/1034345636.db2.gz YXNJAZOZIUIHLF-XHSDSOJGSA-N 2 1 319.449 3.613 20 5 DHBDMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000480604624 1034345645 /nfs/dbraw/zinc/34/56/45/1034345645.db2.gz YXNJAZOZIUIHLF-XHSDSOJGSA-N 2 1 319.449 3.613 20 5 DHBDMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000530952919 331641734 /nfs/dbraw/zinc/64/17/34/331641734.db2.gz ACUZVRDGWVXWRY-SJLPKXTDSA-N 2 1 319.449 3.585 20 5 DHBDMP Cc1c([C@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000480171384 339561982 /nfs/dbraw/zinc/56/19/82/339561982.db2.gz QNXNLDQULMLYPG-INIZCTEOSA-N 2 1 319.449 3.676 20 5 DHBDMP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182815935 520728586 /nfs/dbraw/zinc/72/85/86/520728586.db2.gz OVIXHSDVCIQACY-HOTGVXAUSA-N 2 1 319.449 3.628 20 5 DHBDMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182815935 520728597 /nfs/dbraw/zinc/72/85/97/520728597.db2.gz OVIXHSDVCIQACY-HOTGVXAUSA-N 2 1 319.449 3.628 20 5 DHBDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000524156028 1017906590 /nfs/dbraw/zinc/90/65/90/1017906590.db2.gz BOOVVCRRDGMTTD-HNNXBMFYSA-N 2 1 319.449 3.708 20 5 DHBDMP CCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000316898509 1019945635 /nfs/dbraw/zinc/94/56/35/1019945635.db2.gz ZBNBRYCPECSUDZ-LXZKKBNFSA-N 2 1 305.422 3.508 20 5 DHBDMP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000316898509 1019945639 /nfs/dbraw/zinc/94/56/39/1019945639.db2.gz ZBNBRYCPECSUDZ-LXZKKBNFSA-N 2 1 305.422 3.508 20 5 DHBDMP CC(C)[NH+](CCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000155837783 1020277684 /nfs/dbraw/zinc/27/76/84/1020277684.db2.gz CTGAXLKVAPQYRG-OAHLLOKOSA-N 2 1 307.438 3.754 20 5 DHBDMP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000184505994 1022944734 /nfs/dbraw/zinc/94/47/34/1022944734.db2.gz QWSOOZXFRXUZIN-LSDHHAIUSA-N 2 1 305.422 3.510 20 5 DHBDMP C[C@H](CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000184503510 1022946233 /nfs/dbraw/zinc/94/62/33/1022946233.db2.gz IBGDRLGLWZZFRD-CABCVRRESA-N 2 1 305.422 3.510 20 5 DHBDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000052209347 1026259956 /nfs/dbraw/zinc/25/99/56/1026259956.db2.gz GJRPHAUSZSMTCA-UHFFFAOYSA-N 2 1 319.449 3.539 20 5 DHBDMP CCC[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423533886 1027576153 /nfs/dbraw/zinc/57/61/53/1027576153.db2.gz UNPSDNPEBIVCLN-SJORKVTESA-N 2 1 305.422 3.543 20 5 DHBDMP CC(C)[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173223605 1033604048 /nfs/dbraw/zinc/60/40/48/1033604048.db2.gz IXMUMTKMECGLET-XIRDDKMYSA-N 2 1 319.449 3.506 20 5 DHBDMP CCC[N@@H+](CCC[NH+](C)C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000583032642 337231546 /nfs/dbraw/zinc/23/15/46/337231546.db2.gz ZJBJRJGZUULBPM-SSZFMOIBSA-N 2 1 319.449 3.662 20 5 DHBDMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000482144685 339624516 /nfs/dbraw/zinc/62/45/16/339624516.db2.gz RBRNWMUNKYQIQP-IAGOWNOFSA-N 2 1 319.449 3.585 20 5 DHBDMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000173324923 340362337 /nfs/dbraw/zinc/36/23/37/340362337.db2.gz WLZWQHRNNABGJN-HOTGVXAUSA-N 2 1 319.449 3.900 20 5 DHBDMP CC[C@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000346870042 1016618670 /nfs/dbraw/zinc/61/86/70/1016618670.db2.gz DTSZAYQGBSMCKJ-YJBOKZPZSA-N 2 1 319.449 3.900 20 5 DHBDMP CCCC[NH+]1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000122961145 1020329860 /nfs/dbraw/zinc/32/98/60/1020329860.db2.gz UDPBKIJFYJWUKB-CQSZACIVSA-N 2 1 305.422 3.510 20 5 DHBDMP CCC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000414185543 1020972933 /nfs/dbraw/zinc/97/29/33/1020972933.db2.gz OXRVKRGZQWDKCP-YJBOKZPZSA-N 2 1 319.449 3.758 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000517459645 1021766992 /nfs/dbraw/zinc/76/69/92/1021766992.db2.gz VMBJQQDSYGAJPC-HNNXBMFYSA-N 2 1 319.449 3.676 20 5 DHBDMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423471793 1027558413 /nfs/dbraw/zinc/55/84/13/1027558413.db2.gz PZTZJJJKADQWCA-VXGBXAGGSA-N 2 1 319.430 3.711 20 5 DHBDMP Cc1c([C@@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000480171386 1034111897 /nfs/dbraw/zinc/11/18/97/1034111897.db2.gz QNXNLDQULMLYPG-MRXNPFEDSA-N 2 1 319.449 3.676 20 5 DHBDMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000482144689 1035064319 /nfs/dbraw/zinc/06/43/19/1035064319.db2.gz RBRNWMUNKYQIQP-SJORKVTESA-N 2 1 319.449 3.585 20 5 DHBDMP CCC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599068650 1039024448 /nfs/dbraw/zinc/02/44/48/1039024448.db2.gz BLMKLBMPQPQHJZ-YJBOKZPZSA-N 2 1 319.449 3.758 20 5 DHBDMP CCC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599068647 1039025583 /nfs/dbraw/zinc/02/55/83/1039025583.db2.gz BLMKLBMPQPQHJZ-CRAIPNDOSA-N 2 1 319.449 3.758 20 5 DHBDMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000246358731 341344979 /nfs/dbraw/zinc/34/49/79/341344979.db2.gz IGDCFXTZXPQTQP-HZPDHXFCSA-N 2 1 319.449 3.613 20 5 DHBDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000246358731 341344980 /nfs/dbraw/zinc/34/49/80/341344980.db2.gz IGDCFXTZXPQTQP-HZPDHXFCSA-N 2 1 319.449 3.613 20 5 DHBDMP Cc1ccc([C@@H](C)NC[C@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000125820093 1032721253 /nfs/dbraw/zinc/72/12/53/1032721253.db2.gz DODNKRAYEFBQFV-HZPDHXFCSA-N 2 1 319.449 3.674 20 5 DHBDMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000125820093 1032721264 /nfs/dbraw/zinc/72/12/64/1032721264.db2.gz DODNKRAYEFBQFV-HZPDHXFCSA-N 2 1 319.449 3.674 20 5 DHBDMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000125820093 1032721301 /nfs/dbraw/zinc/72/13/01/1032721301.db2.gz DODNKRAYEFBQFV-HZPDHXFCSA-N 2 1 319.449 3.674 20 5 DHBDMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000080468499 1022433523 /nfs/dbraw/zinc/43/35/23/1022433523.db2.gz SRIHKYUOONKRKE-XJKSGUPXSA-N 2 1 307.438 3.612 20 5 DHBDMP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000296009738 1024106328 /nfs/dbraw/zinc/10/63/28/1024106328.db2.gz QZYGCPILCTXZBR-YCXXCVGLSA-N 2 1 317.433 3.651 20 5 DHBDMP CC[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000268995748 1024214391 /nfs/dbraw/zinc/21/43/91/1024214391.db2.gz KMMLKWZGTBKBEY-SFHVURJKSA-N 2 1 317.433 3.652 20 5 DHBDMP C[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H](C)[NH3+] ZINC000423449241 1027547584 /nfs/dbraw/zinc/54/75/84/1027547584.db2.gz REUFQYQBIJWJNL-TUAOUCFPSA-N 2 1 319.430 3.710 20 5 DHBDMP CCC[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423533883 1027578045 /nfs/dbraw/zinc/57/80/45/1027578045.db2.gz UNPSDNPEBIVCLN-DLBZAZTESA-N 2 1 305.422 3.543 20 5 DHBDMP CC(C)[N@@H+](CCCC1CC[NH2+]CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000592477673 1039528374 /nfs/dbraw/zinc/52/83/74/1039528374.db2.gz HBRBHULKAXXROH-UHFFFAOYSA-N 2 1 319.449 3.585 20 5 DHBDMP CC[NH+](CC)CCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433122593 338182401 /nfs/dbraw/zinc/18/24/01/338182401.db2.gz WFFLLTPAUWUGBY-QGZVFWFLSA-N 2 1 319.449 3.639 20 5 DHBDMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433172020 338184049 /nfs/dbraw/zinc/18/40/49/338184049.db2.gz BTTMPAMYACJFKH-KRWDZBQOSA-N 2 1 319.449 3.637 20 5 DHBDMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433172020 338184050 /nfs/dbraw/zinc/18/40/50/338184050.db2.gz BTTMPAMYACJFKH-KRWDZBQOSA-N 2 1 319.449 3.637 20 5 DHBDMP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000160499595 525296196 /nfs/dbraw/zinc/29/61/96/525296196.db2.gz NFQJRESOVMROAP-AWEZNQCLSA-N 2 1 317.433 3.652 20 5 DHBDMP CCCC[NH+]1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000164475740 1017762656 /nfs/dbraw/zinc/76/26/56/1017762656.db2.gz ATNJEEYMINWDGT-OAHLLOKOSA-N 2 1 319.449 3.818 20 5 DHBDMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000090585613 1021233872 /nfs/dbraw/zinc/23/38/72/1021233872.db2.gz IGDCFXTZXPQTQP-JKSUJKDBSA-N 2 1 319.449 3.613 20 5 DHBDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000090585613 1021233879 /nfs/dbraw/zinc/23/38/79/1021233879.db2.gz IGDCFXTZXPQTQP-JKSUJKDBSA-N 2 1 319.449 3.613 20 5 DHBDMP CC(C)c1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000453604317 1024550329 /nfs/dbraw/zinc/55/03/29/1024550329.db2.gz ZEQRFRYUORTLNX-UHFFFAOYSA-N 2 1 319.449 3.682 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC2(CCC[N@H+]2C)CC1 ZINC000368617512 1028385783 /nfs/dbraw/zinc/38/57/83/1028385783.db2.gz ZNWJBYBWFIGEIR-HNNXBMFYSA-N 2 1 317.433 3.524 20 5 DHBDMP Cc1ccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC001175688293 1035084661 /nfs/dbraw/zinc/08/46/61/1035084661.db2.gz OYEFBJRYVQCCOI-UHFFFAOYSA-N 2 1 319.449 3.601 20 5 DHBDMP Cc1ccc([C@@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000120547698 132144001 /nfs/dbraw/zinc/14/40/01/132144001.db2.gz STVCJFNQCNAOFS-CYBMUJFWSA-N 2 1 319.449 3.863 20 5 DHBDMP CCC[N@@H+](CCC[NH+](C)C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000583032641 337231531 /nfs/dbraw/zinc/23/15/31/337231531.db2.gz ZJBJRJGZUULBPM-DTQAZKPQSA-N 2 1 319.449 3.662 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000543416143 341043207 /nfs/dbraw/zinc/04/32/07/341043207.db2.gz JYCSOYSBIVAUIA-JKSUJKDBSA-N 2 1 319.449 3.818 20 5 DHBDMP CC[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1cccc([N+](=O)[O-])c1 ZINC000164673667 1023830609 /nfs/dbraw/zinc/83/06/09/1023830609.db2.gz QMTNIZJYSALNBX-KRWDZBQOSA-N 2 1 316.405 3.621 20 5 DHBDMP CC[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000355064956 1025597804 /nfs/dbraw/zinc/59/78/04/1025597804.db2.gz LXYRNTVKCPOAHT-KRWDZBQOSA-N 2 1 319.449 3.758 20 5 DHBDMP CCC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCC)C1)c1cccc([N+](=O)[O-])c1 ZINC000151119958 1026338281 /nfs/dbraw/zinc/33/82/81/1026338281.db2.gz LWNJFPACPKUDJC-CRAIPNDOSA-N 2 1 319.449 3.758 20 5 DHBDMP CCC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCC)C1)c1cccc([N+](=O)[O-])c1 ZINC000151119852 1026342237 /nfs/dbraw/zinc/34/22/37/1026342237.db2.gz LWNJFPACPKUDJC-MAUKXSAKSA-N 2 1 319.449 3.758 20 5 DHBDMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000530952923 1030093572 /nfs/dbraw/zinc/09/35/72/1030093572.db2.gz ACUZVRDGWVXWRY-WMZOPIPTSA-N 2 1 319.449 3.585 20 5 DHBDMP Cc1ccc([C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000477911551 1033362781 /nfs/dbraw/zinc/36/27/81/1033362781.db2.gz IGXUAOMOBLROGP-OAHLLOKOSA-N 2 1 319.449 3.676 20 5 DHBDMP Cc1c([C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000177836311 1034185450 /nfs/dbraw/zinc/18/54/50/1034185450.db2.gz ZPXGWXBJHIOIJX-HNNXBMFYSA-N 2 1 319.449 3.674 20 5 DHBDMP CC(C)c1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC001177231210 1035358366 /nfs/dbraw/zinc/35/83/66/1035358366.db2.gz GDAFCMBQLGZGHU-UHFFFAOYSA-N 2 1 307.438 3.538 20 5 DHBDMP CC(C)c1ccc(C[NH2+]CCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC001177231210 1035358370 /nfs/dbraw/zinc/35/83/70/1035358370.db2.gz GDAFCMBQLGZGHU-UHFFFAOYSA-N 2 1 307.438 3.538 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000540192427 1036010009 /nfs/dbraw/zinc/01/00/09/1036010009.db2.gz LSPMWELYJQNOHC-AWEZNQCLSA-N 2 1 319.449 3.817 20 5 DHBDMP CCC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599068648 1039026156 /nfs/dbraw/zinc/02/61/56/1039026156.db2.gz BLMKLBMPQPQHJZ-MAUKXSAKSA-N 2 1 319.449 3.758 20 5 DHBDMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000262083238 332019157 /nfs/dbraw/zinc/01/91/57/332019157.db2.gz HFQRXAALZXNBTF-IIAWOOMASA-N 2 1 305.422 3.556 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000540192428 340922552 /nfs/dbraw/zinc/92/25/52/340922552.db2.gz LSPMWELYJQNOHC-CQSZACIVSA-N 2 1 319.449 3.817 20 5 DHBDMP Cc1c([C@@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000542486472 341009841 /nfs/dbraw/zinc/00/98/41/341009841.db2.gz JWQQJNUQJDHETE-GDBMZVCRSA-N 2 1 319.449 3.818 20 5 DHBDMP Cc1ccc([C@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000546931193 341187000 /nfs/dbraw/zinc/18/70/00/341187000.db2.gz RVHGVIDVETXSMG-HNNXBMFYSA-N 2 1 319.449 3.676 20 5 DHBDMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000157890439 1015199207 /nfs/dbraw/zinc/19/92/07/1015199207.db2.gz CECJOTQJQKBRRV-HOTGVXAUSA-N 2 1 319.449 3.900 20 5 DHBDMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000164631593 1017778893 /nfs/dbraw/zinc/77/88/93/1017778893.db2.gz GQXSSGXKDFWALK-CQSZACIVSA-N 2 1 316.405 3.539 20 5 DHBDMP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000122965593 1020333296 /nfs/dbraw/zinc/33/32/96/1020333296.db2.gz DJEBNMJBGKWEMX-CQSZACIVSA-N 2 1 305.422 3.510 20 5 DHBDMP C[C@H](NCCC[N@@H+](C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000322148038 1025885322 /nfs/dbraw/zinc/88/53/22/1025885322.db2.gz YGERVENLZMHCST-HNNXBMFYSA-N 2 1 319.449 3.900 20 5 DHBDMP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000322148038 1025885350 /nfs/dbraw/zinc/88/53/50/1025885350.db2.gz YGERVENLZMHCST-HNNXBMFYSA-N 2 1 319.449 3.900 20 5 DHBDMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000322148038 1025885370 /nfs/dbraw/zinc/88/53/70/1025885370.db2.gz YGERVENLZMHCST-HNNXBMFYSA-N 2 1 319.449 3.900 20 5 DHBDMP CC[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000357844579 1030220095 /nfs/dbraw/zinc/22/00/95/1030220095.db2.gz FZJWBYXXHKGRAV-QGZVFWFLSA-N 2 1 319.449 3.758 20 5 DHBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001173215677 1033598452 /nfs/dbraw/zinc/59/84/52/1033598452.db2.gz YJYPMXDVVNVSOB-OAHLLOKOSA-N 2 1 319.449 3.509 20 5 DHBDMP Cc1c([C@H](C)[NH2+]CC2([NH3+])CCCCCC2)cccc1[N+](=O)[O-] ZINC000423201615 337703647 /nfs/dbraw/zinc/70/36/47/337703647.db2.gz PCYBTYAKGDDULU-AWEZNQCLSA-N 2 1 305.422 3.606 20 5 DHBDMP Cc1ccc([C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000477911550 1015793710 /nfs/dbraw/zinc/79/37/10/1015793710.db2.gz IGXUAOMOBLROGP-HNNXBMFYSA-N 2 1 319.449 3.676 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000125851848 1024331814 /nfs/dbraw/zinc/33/18/14/1024331814.db2.gz LXTLLSJXQJDQMC-JKSUJKDBSA-N 2 1 319.449 3.674 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000125851848 1024331832 /nfs/dbraw/zinc/33/18/32/1024331832.db2.gz LXTLLSJXQJDQMC-JKSUJKDBSA-N 2 1 319.449 3.674 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000125851848 1024331851 /nfs/dbraw/zinc/33/18/51/1024331851.db2.gz LXTLLSJXQJDQMC-JKSUJKDBSA-N 2 1 319.449 3.674 20 5 DHBDMP Cc1c(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC001177299291 1035361280 /nfs/dbraw/zinc/36/12/80/1035361280.db2.gz NVXQTVCMODMWQA-OAHLLOKOSA-N 2 1 319.449 3.647 20 5 DHBDMP Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000131806320 332037244 /nfs/dbraw/zinc/03/72/44/332037244.db2.gz CGPQOUMAURDTBI-LNRIEFBSSA-N 2 1 317.433 3.569 20 5 DHBDMP Cc1ccc([C@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000320217702 333455373 /nfs/dbraw/zinc/45/53/73/333455373.db2.gz UVGQSSZDQTZUTL-INIZCTEOSA-N 2 1 319.449 3.676 20 5 DHBDMP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000414811193 334105851 /nfs/dbraw/zinc/10/58/51/334105851.db2.gz PDHTWTWBYWAONH-LLVKDONJSA-N 2 1 319.792 3.558 20 5 DHBDMP CC[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000357844578 336601261 /nfs/dbraw/zinc/60/12/61/336601261.db2.gz FZJWBYXXHKGRAV-KRWDZBQOSA-N 2 1 319.449 3.758 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000517459646 340470043 /nfs/dbraw/zinc/47/00/43/340470043.db2.gz VMBJQQDSYGAJPC-OAHLLOKOSA-N 2 1 319.449 3.676 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000543416142 341043155 /nfs/dbraw/zinc/04/31/55/341043155.db2.gz JYCSOYSBIVAUIA-HZPDHXFCSA-N 2 1 319.449 3.818 20 5 DHBDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000246999326 341359792 /nfs/dbraw/zinc/35/97/92/341359792.db2.gz KOEFYIJWZGKYOR-HZPDHXFCSA-N 2 1 319.449 3.758 20 5 DHBDMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000125909817 1032724790 /nfs/dbraw/zinc/72/47/90/1032724790.db2.gz QEVPBCUAWFOHBF-YJBOKZPZSA-N 2 1 319.449 3.756 20 5 DHBDMP CC(C)[NH+](CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000155801692 1020274777 /nfs/dbraw/zinc/27/47/77/1020274777.db2.gz KXLHPWIYUYNQLF-HNNXBMFYSA-N 2 1 307.438 3.754 20 5 DHBDMP CCC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000414185541 1020974100 /nfs/dbraw/zinc/97/41/00/1020974100.db2.gz OXRVKRGZQWDKCP-MAUKXSAKSA-N 2 1 319.449 3.758 20 5 DHBDMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000080468493 1022433616 /nfs/dbraw/zinc/43/36/16/1022433616.db2.gz SRIHKYUOONKRKE-CJNGLKHVSA-N 2 1 307.438 3.612 20 5 DHBDMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000164644266 1023822290 /nfs/dbraw/zinc/82/22/90/1023822290.db2.gz OFYKYMJOFJSHDN-AWEZNQCLSA-N 2 1 316.405 3.539 20 5 DHBDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000052208639 1026258386 /nfs/dbraw/zinc/25/83/86/1026258386.db2.gz RHVNYVJEWUBIDM-UHFFFAOYSA-N 2 1 319.449 3.539 20 5 DHBDMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423449235 1027548000 /nfs/dbraw/zinc/54/80/00/1027548000.db2.gz REUFQYQBIJWJNL-SRVKXCTJSA-N 2 1 319.430 3.710 20 5 DHBDMP Cc1c([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000479885820 1033947606 /nfs/dbraw/zinc/94/76/06/1033947606.db2.gz PGTGYGCEPNOWRC-GOEBONIOSA-N 2 1 319.449 3.818 20 5 DHBDMP Cc1c([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000479885820 1033947611 /nfs/dbraw/zinc/94/76/11/1033947611.db2.gz PGTGYGCEPNOWRC-GOEBONIOSA-N 2 1 319.449 3.818 20 5 DHBDMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000482144687 1035063735 /nfs/dbraw/zinc/06/37/35/1035063735.db2.gz RBRNWMUNKYQIQP-IRXDYDNUSA-N 2 1 319.449 3.585 20 5 DHBDMP CCC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599068649 1039024218 /nfs/dbraw/zinc/02/42/18/1039024218.db2.gz BLMKLBMPQPQHJZ-QAPCUYQASA-N 2 1 319.449 3.758 20 5 DHBDMP Cc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000390942921 333409740 /nfs/dbraw/zinc/40/97/40/333409740.db2.gz KVYQQIFJPNHEHR-GOEBONIOSA-N 2 1 319.449 3.676 20 5 DHBDMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000538430094 340823473 /nfs/dbraw/zinc/82/34/73/340823473.db2.gz ROLKEJYPXKMQDU-AEFFLSMTSA-N 2 1 319.449 3.585 20 5 DHBDMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000157890281 1015200030 /nfs/dbraw/zinc/20/00/30/1015200030.db2.gz CECJOTQJQKBRRV-CVEARBPZSA-N 2 1 319.449 3.900 20 5 DHBDMP CCC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000414185542 1020973823 /nfs/dbraw/zinc/97/38/23/1020973823.db2.gz OXRVKRGZQWDKCP-QAPCUYQASA-N 2 1 319.449 3.758 20 5 DHBDMP CCC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1cccc([N+](=O)[O-])c1 ZINC000268881372 1024186922 /nfs/dbraw/zinc/18/69/22/1024186922.db2.gz RRTLTYAEBDJCLY-KRWDZBQOSA-N 2 1 316.405 3.621 20 5 DHBDMP Cc1c([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000479885818 1033947571 /nfs/dbraw/zinc/94/75/71/1033947571.db2.gz PGTGYGCEPNOWRC-GDBMZVCRSA-N 2 1 319.449 3.818 20 5 DHBDMP Cc1c([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000479885818 1033947575 /nfs/dbraw/zinc/94/75/75/1033947575.db2.gz PGTGYGCEPNOWRC-GDBMZVCRSA-N 2 1 319.449 3.818 20 5 DHBDMP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000152744184 1035678349 /nfs/dbraw/zinc/67/83/49/1035678349.db2.gz ODVARDWJMWARSE-GFCCVEGCSA-N 2 1 305.422 3.555 20 5 DHBDMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000119865531 132138683 /nfs/dbraw/zinc/13/86/83/132138683.db2.gz LWEOSCICALCVQQ-ZDUSSCGKSA-N 2 1 305.422 3.508 20 5 DHBDMP CCC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000314266798 333096748 /nfs/dbraw/zinc/09/67/48/333096748.db2.gz ZMQTYVKDKCPBRN-INIZCTEOSA-N 2 1 307.438 3.613 20 5 DHBDMP CC[N@@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000414709946 334072180 /nfs/dbraw/zinc/07/21/80/334072180.db2.gz FPSDWKNZYJPWBI-INIZCTEOSA-N 2 1 319.449 3.682 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000531944329 334300305 /nfs/dbraw/zinc/30/03/05/334300305.db2.gz FSDPLWSUBIYEJX-MRXNPFEDSA-N 2 1 319.449 3.676 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000531989702 334365226 /nfs/dbraw/zinc/36/52/26/334365226.db2.gz SSXYXFQAWRVDNP-HNNXBMFYSA-N 2 1 319.449 3.674 20 5 DHBDMP Cc1c([C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000477907464 339504147 /nfs/dbraw/zinc/50/41/47/339504147.db2.gz BAGAMBVEMTUAOX-HNNXBMFYSA-N 2 1 319.449 3.676 20 5 DHBDMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000173324905 340362407 /nfs/dbraw/zinc/36/24/07/340362407.db2.gz WLZWQHRNNABGJN-CVEARBPZSA-N 2 1 319.449 3.900 20 5 DHBDMP Cc1c([C@@H](C)NC[C@H]2CCC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000125853456 1032724264 /nfs/dbraw/zinc/72/42/64/1032724264.db2.gz BCUFXQZLZFIHLC-HZPDHXFCSA-N 2 1 319.449 3.674 20 5 DHBDMP Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000125853456 1032724276 /nfs/dbraw/zinc/72/42/76/1032724276.db2.gz BCUFXQZLZFIHLC-HZPDHXFCSA-N 2 1 319.449 3.674 20 5 DHBDMP Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000125853456 1032724287 /nfs/dbraw/zinc/72/42/87/1032724287.db2.gz BCUFXQZLZFIHLC-HZPDHXFCSA-N 2 1 319.449 3.674 20 5 DHBDMP Cc1c([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000268975036 1024208070 /nfs/dbraw/zinc/20/80/70/1024208070.db2.gz GOBSOEZQJGPABY-AWEZNQCLSA-N 2 1 317.433 3.571 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000532188088 1024569787 /nfs/dbraw/zinc/56/97/87/1024569787.db2.gz AKRCRWMPHOMCKJ-CVEARBPZSA-N 2 1 319.449 3.818 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000532188088 1024569791 /nfs/dbraw/zinc/56/97/91/1024569791.db2.gz AKRCRWMPHOMCKJ-CVEARBPZSA-N 2 1 319.449 3.818 20 5 DHBDMP Cc1cc(N[C@@H](C)C[N@H+](C)C(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000323983356 1024681522 /nfs/dbraw/zinc/68/15/22/1024681522.db2.gz AFFKOFIRSGRHEP-ZDUSSCGKSA-N 2 1 316.405 3.592 20 5 DHBDMP Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000131806120 332037194 /nfs/dbraw/zinc/03/71/94/332037194.db2.gz CGPQOUMAURDTBI-HZTRTUMWSA-N 2 1 317.433 3.569 20 5 DHBDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000245459496 341295538 /nfs/dbraw/zinc/29/55/38/341295538.db2.gz LKXJDAYGDLBFKO-JKSUJKDBSA-N 2 1 319.449 3.758 20 5 DHBDMP CCC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000268747282 1017709735 /nfs/dbraw/zinc/70/97/35/1017709735.db2.gz VOONZCWTJXYNGN-QGZVFWFLSA-N 2 1 305.422 3.510 20 5 DHBDMP C[C@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000184503492 1022944593 /nfs/dbraw/zinc/94/45/93/1022944593.db2.gz IBGDRLGLWZZFRD-GJZGRUSLSA-N 2 1 305.422 3.510 20 5 DHBDMP CC[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000355064979 1025596646 /nfs/dbraw/zinc/59/66/46/1025596646.db2.gz LXYRNTVKCPOAHT-QGZVFWFLSA-N 2 1 319.449 3.758 20 5 DHBDMP CC[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000193024044 336287114 /nfs/dbraw/zinc/28/71/14/336287114.db2.gz GHRZLEIRTMVLOF-KRWDZBQOSA-N 2 1 305.422 3.512 20 5 DHBDMP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000467836859 339247261 /nfs/dbraw/zinc/24/72/61/339247261.db2.gz TUCXCLVKMDNFII-OWCLPIDISA-N 2 1 319.449 3.613 20 5 DHBDMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000467836859 339247262 /nfs/dbraw/zinc/24/72/62/339247262.db2.gz TUCXCLVKMDNFII-OWCLPIDISA-N 2 1 319.449 3.613 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000543416139 341043160 /nfs/dbraw/zinc/04/31/60/341043160.db2.gz JYCSOYSBIVAUIA-CVEARBPZSA-N 2 1 319.449 3.818 20 5 DHBDMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000246841010 341357635 /nfs/dbraw/zinc/35/76/35/341357635.db2.gz CECJOTQJQKBRRV-JKSUJKDBSA-N 2 1 319.449 3.900 20 5 DHBDMP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000125910439 1032724453 /nfs/dbraw/zinc/72/44/53/1032724453.db2.gz QEVPBCUAWFOHBF-CRAIPNDOSA-N 2 1 319.449 3.756 20 5 DHBDMP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000125853611 1032726326 /nfs/dbraw/zinc/72/63/26/1032726326.db2.gz BCUFXQZLZFIHLC-JKSUJKDBSA-N 2 1 319.449 3.674 20 5 DHBDMP Cc1c([C@H](C)NC[C@H]2CCC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000125853611 1032726297 /nfs/dbraw/zinc/72/62/97/1032726297.db2.gz BCUFXQZLZFIHLC-JKSUJKDBSA-N 2 1 319.449 3.674 20 5 DHBDMP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000125853611 1032726314 /nfs/dbraw/zinc/72/63/14/1032726314.db2.gz BCUFXQZLZFIHLC-JKSUJKDBSA-N 2 1 319.449 3.674 20 5 DHBDMP CCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000370671222 1019712756 /nfs/dbraw/zinc/71/27/56/1019712756.db2.gz OPRITEJKMGTBPS-BQFCYCMXSA-N 2 1 317.433 3.652 20 5 DHBDMP CCC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000316898510 1019945769 /nfs/dbraw/zinc/94/57/69/1019945769.db2.gz ZBNBRYCPECSUDZ-QRTARXTBSA-N 2 1 305.422 3.508 20 5 DHBDMP CCC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000316898510 1019945772 /nfs/dbraw/zinc/94/57/72/1019945772.db2.gz ZBNBRYCPECSUDZ-QRTARXTBSA-N 2 1 305.422 3.508 20 5 DHBDMP CCC[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([NH3+])(CC)CC1 ZINC000925758968 1024004092 /nfs/dbraw/zinc/00/40/92/1024004092.db2.gz JAFCOMCQMWJPFH-INIZCTEOSA-N 2 1 305.422 3.639 20 5 DHBDMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000269060745 1024231184 /nfs/dbraw/zinc/23/11/84/1024231184.db2.gz XUAMHATXYOKKER-CQSZACIVSA-N 2 1 317.433 3.571 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000531938898 334299739 /nfs/dbraw/zinc/29/97/39/334299739.db2.gz UBEHYOQFYAITNE-GOEBONIOSA-N 2 1 319.449 3.676 20 5 DHBDMP CC[NH+](CC)CCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433122592 338182370 /nfs/dbraw/zinc/18/23/70/338182370.db2.gz WFFLLTPAUWUGBY-KRWDZBQOSA-N 2 1 319.449 3.639 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000543416141 341043194 /nfs/dbraw/zinc/04/31/94/341043194.db2.gz JYCSOYSBIVAUIA-HOTGVXAUSA-N 2 1 319.449 3.818 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000544896262 341098143 /nfs/dbraw/zinc/09/81/43/341098143.db2.gz SHOGRMFCBHUFMT-OAHLLOKOSA-N 2 1 319.449 3.676 20 5 DHBDMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000164631713 341706505 /nfs/dbraw/zinc/70/65/05/341706505.db2.gz GQXSSGXKDFWALK-AWEZNQCLSA-N 2 1 316.405 3.539 20 5 DHBDMP Cc1c([C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cccc1[N+](=O)[O-] ZINC000126608601 525916188 /nfs/dbraw/zinc/91/61/88/525916188.db2.gz LWIFSGGVGPZRNY-HNSVSWJLSA-N 2 1 317.433 3.569 20 5 DHBDMP Cc1c([C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000126608601 525916195 /nfs/dbraw/zinc/91/61/95/525916195.db2.gz LWIFSGGVGPZRNY-HNSVSWJLSA-N 2 1 317.433 3.569 20 5 DHBDMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000122965370 1020334504 /nfs/dbraw/zinc/33/45/04/1020334504.db2.gz DJEBNMJBGKWEMX-AWEZNQCLSA-N 2 1 305.422 3.510 20 5 DHBDMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000269060744 1024233097 /nfs/dbraw/zinc/23/30/97/1024233097.db2.gz XUAMHATXYOKKER-AWEZNQCLSA-N 2 1 317.433 3.571 20 5 DHBDMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000080468501 1038509876 /nfs/dbraw/zinc/50/98/76/1038509876.db2.gz SRIHKYUOONKRKE-CZUORRHYSA-N 2 1 307.438 3.612 20 5 DHBDMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000262083257 332019056 /nfs/dbraw/zinc/01/90/56/332019056.db2.gz HFQRXAALZXNBTF-YCPHGPKFSA-N 2 1 305.422 3.556 20 5 DHBDMP CCC[C@H]([NH2+]C1CC[NH+](CCC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000120711095 333307136 /nfs/dbraw/zinc/30/71/36/333307136.db2.gz WNNQFETVTZDAGJ-SFHVURJKSA-N 2 1 319.449 3.900 20 5 DHBDMP CC[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000319889052 1014269689 /nfs/dbraw/zinc/26/96/89/1014269689.db2.gz WUVHQPHXNKJXDT-CRAIPNDOSA-N 2 1 319.449 3.900 20 5 DHBDMP CC[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000319889052 1014269697 /nfs/dbraw/zinc/26/96/97/1014269697.db2.gz WUVHQPHXNKJXDT-CRAIPNDOSA-N 2 1 319.449 3.900 20 5 DHBDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000157946433 1015343626 /nfs/dbraw/zinc/34/36/26/1015343626.db2.gz KOEFYIJWZGKYOR-CVEARBPZSA-N 2 1 319.449 3.758 20 5 DHBDMP CC[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000346870040 1016617543 /nfs/dbraw/zinc/61/75/43/1016617543.db2.gz DTSZAYQGBSMCKJ-MAUKXSAKSA-N 2 1 319.449 3.900 20 5 DHBDMP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000479587926 1017008048 /nfs/dbraw/zinc/00/80/48/1017008048.db2.gz IRBSXFRJNOMPTM-UHFFFAOYSA-N 2 1 319.449 3.729 20 5 DHBDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000524156029 1017905254 /nfs/dbraw/zinc/90/52/54/1017905254.db2.gz BOOVVCRRDGMTTD-OAHLLOKOSA-N 2 1 319.449 3.708 20 5 DHBDMP Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000390942916 1020237259 /nfs/dbraw/zinc/23/72/59/1020237259.db2.gz KVYQQIFJPNHEHR-GDBMZVCRSA-N 2 1 319.449 3.676 20 5 DHBDMP CC[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000268995747 1024216276 /nfs/dbraw/zinc/21/62/76/1024216276.db2.gz KMMLKWZGTBKBEY-GOSISDBHSA-N 2 1 317.433 3.652 20 5 DHBDMP CC(C)[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173223604 1033602918 /nfs/dbraw/zinc/60/29/18/1033602918.db2.gz IXMUMTKMECGLET-DJIMGWMZSA-N 2 1 319.449 3.506 20 5 DHBDMP Cc1c([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000480904019 1034493638 /nfs/dbraw/zinc/49/36/38/1034493638.db2.gz HOWLAOYWOHSYMV-GOEBONIOSA-N 2 1 319.449 3.676 20 5 DHBDMP Cc1c(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC001177299290 1035360680 /nfs/dbraw/zinc/36/06/80/1035360680.db2.gz NVXQTVCMODMWQA-HNNXBMFYSA-N 2 1 319.449 3.647 20 5 DHBDMP Cc1c(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001177299623 1035360994 /nfs/dbraw/zinc/36/09/94/1035360994.db2.gz XNABZAIENCWEEQ-HNNXBMFYSA-N 2 1 319.449 3.505 20 5 DHBDMP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000122139982 132162004 /nfs/dbraw/zinc/16/20/04/132162004.db2.gz DGRYTYCPHDKOSI-GFCCVEGCSA-N 2 1 305.422 3.555 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000531938900 334299719 /nfs/dbraw/zinc/29/97/19/334299719.db2.gz UBEHYOQFYAITNE-ZBFHGGJFSA-N 2 1 319.449 3.676 20 5 DHBDMP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000467836857 339247226 /nfs/dbraw/zinc/24/72/26/339247226.db2.gz TUCXCLVKMDNFII-BZUAXINKSA-N 2 1 319.449 3.613 20 5 DHBDMP Cc1c([C@@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000542486473 341009785 /nfs/dbraw/zinc/00/97/85/341009785.db2.gz JWQQJNUQJDHETE-GOEBONIOSA-N 2 1 319.449 3.818 20 5 DHBDMP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245520979 341299683 /nfs/dbraw/zinc/29/96/83/341299683.db2.gz KBKXAQKJQUWKOD-HZPDHXFCSA-N 2 1 319.449 3.628 20 5 DHBDMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245520979 341299684 /nfs/dbraw/zinc/29/96/84/341299684.db2.gz KBKXAQKJQUWKOD-HZPDHXFCSA-N 2 1 319.449 3.628 20 5 DHBDMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245520979 341299685 /nfs/dbraw/zinc/29/96/85/341299685.db2.gz KBKXAQKJQUWKOD-HZPDHXFCSA-N 2 1 319.449 3.628 20 5 DHBDMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245520979 341299686 /nfs/dbraw/zinc/29/96/86/341299686.db2.gz KBKXAQKJQUWKOD-HZPDHXFCSA-N 2 1 319.449 3.628 20 5 DHBDMP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245526155 341299796 /nfs/dbraw/zinc/29/97/96/341299796.db2.gz OVIXHSDVCIQACY-CVEARBPZSA-N 2 1 319.449 3.628 20 5 DHBDMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245526155 341299797 /nfs/dbraw/zinc/29/97/97/341299797.db2.gz OVIXHSDVCIQACY-CVEARBPZSA-N 2 1 319.449 3.628 20 5 DHBDMP Cc1ccc([C@H](C)NC[C@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000125820262 1032721586 /nfs/dbraw/zinc/72/15/86/1032721586.db2.gz DODNKRAYEFBQFV-JKSUJKDBSA-N 2 1 319.449 3.674 20 5 DHBDMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000125820262 1032721597 /nfs/dbraw/zinc/72/15/97/1032721597.db2.gz DODNKRAYEFBQFV-JKSUJKDBSA-N 2 1 319.449 3.674 20 5 DHBDMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000125820262 1032721607 /nfs/dbraw/zinc/72/16/07/1032721607.db2.gz DODNKRAYEFBQFV-JKSUJKDBSA-N 2 1 319.449 3.674 20 5 DHBDMP CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000370671225 1019713348 /nfs/dbraw/zinc/71/33/48/1019713348.db2.gz OPRITEJKMGTBPS-RYRKJORJSA-N 2 1 317.433 3.652 20 5 DHBDMP Nc1ccc2cc3ccc(Nc4ccc[nH+]c4N)cc3[nH+]c2c1 ZINC001212404031 1020338615 /nfs/dbraw/zinc/33/86/15/1020338615.db2.gz IEJGWWSSWPTCAT-UHFFFAOYSA-N 2 1 301.353 3.691 20 5 DHBDMP CC[N+](C)(C)Cc1ccccc1NCCC[N@H+]1CCCC[C@H]1C ZINC001167753125 1023044871 /nfs/dbraw/zinc/04/48/71/1023044871.db2.gz KWXLFKGWUNJDGM-GOSISDBHSA-N 2 1 318.529 3.959 20 5 DHBDMP CCC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1cccc([N+](=O)[O-])c1 ZINC000268881376 1024185791 /nfs/dbraw/zinc/18/57/91/1024185791.db2.gz RRTLTYAEBDJCLY-QGZVFWFLSA-N 2 1 316.405 3.621 20 5 DHBDMP Cc1c([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000089512893 1026052478 /nfs/dbraw/zinc/05/24/78/1026052478.db2.gz VTPQUQOTLRZWGZ-AWEZNQCLSA-N 2 1 319.449 3.817 20 5 DHBDMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423286239 1027482519 /nfs/dbraw/zinc/48/25/19/1027482519.db2.gz GFOUGORGKPZUFN-LLVKDONJSA-N 2 1 319.430 3.711 20 5 DHBDMP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000480604623 1034345370 /nfs/dbraw/zinc/34/53/70/1034345370.db2.gz YXNJAZOZIUIHLF-OWCLPIDISA-N 2 1 319.449 3.613 20 5 DHBDMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000480604623 1034345382 /nfs/dbraw/zinc/34/53/82/1034345382.db2.gz YXNJAZOZIUIHLF-OWCLPIDISA-N 2 1 319.449 3.613 20 5 DHBDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075713466 1039483831 /nfs/dbraw/zinc/48/38/31/1039483831.db2.gz OOWNFERVGQUHHN-OAHLLOKOSA-N 2 1 319.449 3.708 20 5 DHBDMP CCC[C@H](NCCC[N@@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000319048527 333249650 /nfs/dbraw/zinc/24/96/50/333249650.db2.gz BQHCDSYBAWZGDS-KRWDZBQOSA-N 2 1 307.438 3.756 20 5 DHBDMP CCC[C@H]([NH2+]CCC[N@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000319048527 333249652 /nfs/dbraw/zinc/24/96/52/333249652.db2.gz BQHCDSYBAWZGDS-KRWDZBQOSA-N 2 1 307.438 3.756 20 5 DHBDMP CCC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000319048527 333249653 /nfs/dbraw/zinc/24/96/53/333249653.db2.gz BQHCDSYBAWZGDS-KRWDZBQOSA-N 2 1 307.438 3.756 20 5 DHBDMP CCC[C@@H]([NH2+]C1CC[NH+](CCC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000120711231 333307002 /nfs/dbraw/zinc/30/70/02/333307002.db2.gz WNNQFETVTZDAGJ-GOSISDBHSA-N 2 1 319.449 3.900 20 5 DHBDMP Cc1ccc([C@@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000546931194 341187139 /nfs/dbraw/zinc/18/71/39/341187139.db2.gz RVHGVIDVETXSMG-OAHLLOKOSA-N 2 1 319.449 3.676 20 5 DHBDMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000246415852 341347920 /nfs/dbraw/zinc/34/79/20/341347920.db2.gz MWEQXBYTKOBGDY-HZPDHXFCSA-N 2 1 319.449 3.613 20 5 DHBDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000246415852 341347921 /nfs/dbraw/zinc/34/79/21/341347921.db2.gz MWEQXBYTKOBGDY-HZPDHXFCSA-N 2 1 319.449 3.613 20 5 DHBDMP CC[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000319889058 1014269641 /nfs/dbraw/zinc/26/96/41/1014269641.db2.gz WUVHQPHXNKJXDT-QAPCUYQASA-N 2 1 319.449 3.900 20 5 DHBDMP CC[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000319889058 1014269649 /nfs/dbraw/zinc/26/96/49/1014269649.db2.gz WUVHQPHXNKJXDT-QAPCUYQASA-N 2 1 319.449 3.900 20 5 DHBDMP CC[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000319889061 1014269154 /nfs/dbraw/zinc/26/91/54/1014269154.db2.gz WUVHQPHXNKJXDT-YJBOKZPZSA-N 2 1 319.449 3.900 20 5 DHBDMP CC[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000319889061 1014269167 /nfs/dbraw/zinc/26/91/67/1014269167.db2.gz WUVHQPHXNKJXDT-YJBOKZPZSA-N 2 1 319.449 3.900 20 5 DHBDMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000164475648 1017761495 /nfs/dbraw/zinc/76/14/95/1017761495.db2.gz ATNJEEYMINWDGT-HNNXBMFYSA-N 2 1 319.449 3.818 20 5 DHBDMP CCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000370671223 1019712015 /nfs/dbraw/zinc/71/20/15/1019712015.db2.gz OPRITEJKMGTBPS-JZXOWHBKSA-N 2 1 317.433 3.652 20 5 DHBDMP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000184503526 1022945314 /nfs/dbraw/zinc/94/53/14/1022945314.db2.gz IBGDRLGLWZZFRD-LSDHHAIUSA-N 2 1 305.422 3.510 20 5 DHBDMP c1ccc2c(c1)cc1ccccc1c2C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000770393177 1023304170 /nfs/dbraw/zinc/30/41/70/1023304170.db2.gz BICUUFJIKNPCPN-HDICACEKSA-N 2 1 302.421 3.644 20 5 DHBDMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423449242 1027548032 /nfs/dbraw/zinc/54/80/32/1027548032.db2.gz REUFQYQBIJWJNL-UTUOFQBUSA-N 2 1 319.430 3.710 20 5 DHBDMP CCC[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423533885 1027577135 /nfs/dbraw/zinc/57/71/35/1027577135.db2.gz UNPSDNPEBIVCLN-IRXDYDNUSA-N 2 1 305.422 3.543 20 5 DHBDMP Cc1c([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000480904020 1034494627 /nfs/dbraw/zinc/49/46/27/1034494627.db2.gz HOWLAOYWOHSYMV-HOCLYGCPSA-N 2 1 319.449 3.676 20 5 DHBDMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000122128822 1040983104 /nfs/dbraw/zinc/98/31/04/1040983104.db2.gz BYCBXEDJYIXQOZ-CABCVRRESA-N 2 1 305.422 3.510 20 5 DHBDMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000122128822 1040983080 /nfs/dbraw/zinc/98/30/80/1040983080.db2.gz BYCBXEDJYIXQOZ-CABCVRRESA-N 2 1 305.422 3.510 20 5 DHBDMP CCC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000314266802 333096779 /nfs/dbraw/zinc/09/67/79/333096779.db2.gz ZMQTYVKDKCPBRN-MRXNPFEDSA-N 2 1 307.438 3.613 20 5 DHBDMP Cc1ccc([C@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000543416889 341043305 /nfs/dbraw/zinc/04/33/05/341043305.db2.gz XQZDIYMSQXJEHF-CVEARBPZSA-N 2 1 319.449 3.818 20 5 DHBDMP Cc1ccc([C@@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000543416891 341043310 /nfs/dbraw/zinc/04/33/10/341043310.db2.gz XQZDIYMSQXJEHF-HZPDHXFCSA-N 2 1 319.449 3.818 20 5 DHBDMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000246358719 341344895 /nfs/dbraw/zinc/34/48/95/341344895.db2.gz IGDCFXTZXPQTQP-CVEARBPZSA-N 2 1 319.449 3.613 20 5 DHBDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000246358719 341344896 /nfs/dbraw/zinc/34/48/96/341344896.db2.gz IGDCFXTZXPQTQP-CVEARBPZSA-N 2 1 319.449 3.613 20 5 DHBDMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000246840976 341357596 /nfs/dbraw/zinc/35/75/96/341357596.db2.gz CECJOTQJQKBRRV-HZPDHXFCSA-N 2 1 319.449 3.900 20 5 DHBDMP CCC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000268747278 1017711943 /nfs/dbraw/zinc/71/19/43/1017711943.db2.gz VOONZCWTJXYNGN-KRWDZBQOSA-N 2 1 305.422 3.510 20 5 DHBDMP Cc1c([C@H](C)NC[C@@H]2CCC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000125853298 1032723879 /nfs/dbraw/zinc/72/38/79/1032723879.db2.gz BCUFXQZLZFIHLC-HOTGVXAUSA-N 2 1 319.449 3.674 20 5 DHBDMP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000125853298 1032723894 /nfs/dbraw/zinc/72/38/94/1032723894.db2.gz BCUFXQZLZFIHLC-HOTGVXAUSA-N 2 1 319.449 3.674 20 5 DHBDMP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000125853298 1032723912 /nfs/dbraw/zinc/72/39/12/1032723912.db2.gz BCUFXQZLZFIHLC-HOTGVXAUSA-N 2 1 319.449 3.674 20 5 DHBDMP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000296009733 1024105870 /nfs/dbraw/zinc/10/58/70/1024105870.db2.gz QZYGCPILCTXZBR-MMNRESRNSA-N 2 1 317.433 3.651 20 5 DHBDMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423471790 1027559218 /nfs/dbraw/zinc/55/92/18/1027559218.db2.gz PZTZJJJKADQWCA-NWDGAFQWSA-N 2 1 319.430 3.711 20 5 DHBDMP C[N@H+]1CCC=C(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)C1 ZINC001175581043 1035050791 /nfs/dbraw/zinc/05/07/91/1035050791.db2.gz WWYYFJQNNQOLEY-UHFFFAOYSA-N 2 1 304.397 3.602 20 5 DHBDMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000164643770 1038236958 /nfs/dbraw/zinc/23/69/58/1038236958.db2.gz QTFYWOWVPNASBT-AWEZNQCLSA-N 2 1 316.405 3.539 20 5 DHBDMP Cc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000320217705 333455379 /nfs/dbraw/zinc/45/53/79/333455379.db2.gz UVGQSSZDQTZUTL-MRXNPFEDSA-N 2 1 319.449 3.676 20 5 DHBDMP Cc1c([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000480904021 339590254 /nfs/dbraw/zinc/59/02/54/339590254.db2.gz HOWLAOYWOHSYMV-ZBFHGGJFSA-N 2 1 319.449 3.676 20 5 DHBDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000245459495 341295557 /nfs/dbraw/zinc/29/55/57/341295557.db2.gz LKXJDAYGDLBFKO-HZPDHXFCSA-N 2 1 319.449 3.758 20 5 DHBDMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000248407889 341376719 /nfs/dbraw/zinc/37/67/19/341376719.db2.gz DQPPMXZAUPIVGS-LSDHHAIUSA-N 2 1 305.422 3.510 20 5 DHBDMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000248407889 341376720 /nfs/dbraw/zinc/37/67/20/341376720.db2.gz DQPPMXZAUPIVGS-LSDHHAIUSA-N 2 1 305.422 3.510 20 5 DHBDMP Cc1c([C@@H](C)NC[C@@H]2CCC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000125853055 1032725972 /nfs/dbraw/zinc/72/59/72/1032725972.db2.gz BCUFXQZLZFIHLC-CVEARBPZSA-N 2 1 319.449 3.674 20 5 DHBDMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000125853055 1032725992 /nfs/dbraw/zinc/72/59/92/1032725992.db2.gz BCUFXQZLZFIHLC-CVEARBPZSA-N 2 1 319.449 3.674 20 5 DHBDMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000125853055 1032726004 /nfs/dbraw/zinc/72/60/04/1032726004.db2.gz BCUFXQZLZFIHLC-CVEARBPZSA-N 2 1 319.449 3.674 20 5 DHBDMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000538430097 1033062395 /nfs/dbraw/zinc/06/23/95/1033062395.db2.gz ROLKEJYPXKMQDU-WMZOPIPTSA-N 2 1 319.449 3.585 20 5 DHBDMP C[C@H](CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000184505975 1022945447 /nfs/dbraw/zinc/94/54/47/1022945447.db2.gz QWSOOZXFRXUZIN-CABCVRRESA-N 2 1 305.422 3.510 20 5 DHBDMP CC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000453415124 1024508037 /nfs/dbraw/zinc/50/80/37/1024508037.db2.gz XCZXMPPEJJSKPO-QGZVFWFLSA-N 2 1 305.422 3.510 20 5 DHBDMP CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCC)C1)c1cccc([N+](=O)[O-])c1 ZINC000151119798 1026342310 /nfs/dbraw/zinc/34/23/10/1026342310.db2.gz LWNJFPACPKUDJC-YJBOKZPZSA-N 2 1 319.449 3.758 20 5 DHBDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075713464 1028532223 /nfs/dbraw/zinc/53/22/23/1028532223.db2.gz OOWNFERVGQUHHN-HNNXBMFYSA-N 2 1 319.449 3.708 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000159614751 1035073901 /nfs/dbraw/zinc/07/39/01/1035073901.db2.gz NRHADEVAGQGZCS-ZDUSSCGKSA-N 2 1 319.449 3.863 20 5 DHBDMP Cc1c(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001177299624 1035361047 /nfs/dbraw/zinc/36/10/47/1035361047.db2.gz XNABZAIENCWEEQ-OAHLLOKOSA-N 2 1 319.449 3.505 20 5 DHBDMP Cc1c([C@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000542486475 341009764 /nfs/dbraw/zinc/00/97/64/341009764.db2.gz JWQQJNUQJDHETE-HOCLYGCPSA-N 2 1 319.449 3.818 20 5 DHBDMP Cc1c([C@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000542486476 341009856 /nfs/dbraw/zinc/00/98/56/341009856.db2.gz JWQQJNUQJDHETE-ZBFHGGJFSA-N 2 1 319.449 3.818 20 5 DHBDMP CC(C)[NH+](CCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000155837655 341613812 /nfs/dbraw/zinc/61/38/12/341613812.db2.gz CTGAXLKVAPQYRG-HNNXBMFYSA-N 2 1 307.438 3.754 20 5 DHBDMP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1cccc([N+](=O)[O-])c1 ZINC000164673785 522826158 /nfs/dbraw/zinc/82/61/58/522826158.db2.gz QMTNIZJYSALNBX-QGZVFWFLSA-N 2 1 316.405 3.621 20 5 DHBDMP Cc1cc(N[C@H](C)C[N@H+](C)C(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000323983354 1017467304 /nfs/dbraw/zinc/46/73/04/1017467304.db2.gz AFFKOFIRSGRHEP-CYBMUJFWSA-N 2 1 316.405 3.592 20 5 DHBDMP Cc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000390942926 1020237103 /nfs/dbraw/zinc/23/71/03/1020237103.db2.gz KVYQQIFJPNHEHR-ZBFHGGJFSA-N 2 1 319.449 3.676 20 5 DHBDMP CCN1CCC([N@H+](C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000125246143 1020281548 /nfs/dbraw/zinc/28/15/48/1020281548.db2.gz TZCFDCHIRLHNFH-UHFFFAOYSA-N 2 1 319.449 3.634 20 5 DHBDMP CCN1CCC([N@@H+](C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000125246143 1020281552 /nfs/dbraw/zinc/28/15/52/1020281552.db2.gz TZCFDCHIRLHNFH-UHFFFAOYSA-N 2 1 319.449 3.634 20 5 DHBDMP Cc1c(C[NH2+]CCC[NH+](C(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC001200923534 1037466768 /nfs/dbraw/zinc/46/67/68/1037466768.db2.gz SJHDFINDOPNZPW-UHFFFAOYSA-N 2 1 307.438 3.502 20 5 DHBDMP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000414811194 334105880 /nfs/dbraw/zinc/10/58/80/334105880.db2.gz PDHTWTWBYWAONH-NSHDSACASA-N 2 1 319.792 3.558 20 5 DHBDMP Cc1c([C@@H](C)[NH2+]CC2([NH3+])CCCCCC2)cccc1[N+](=O)[O-] ZINC000423201616 337703691 /nfs/dbraw/zinc/70/36/91/337703691.db2.gz PCYBTYAKGDDULU-CQSZACIVSA-N 2 1 305.422 3.606 20 5 DHBDMP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000480604621 339579129 /nfs/dbraw/zinc/57/91/29/339579129.db2.gz YXNJAZOZIUIHLF-BZUAXINKSA-N 2 1 319.449 3.613 20 5 DHBDMP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182822780 521498975 /nfs/dbraw/zinc/49/89/75/521498975.db2.gz KBKXAQKJQUWKOD-JKSUJKDBSA-N 2 1 319.449 3.628 20 5 DHBDMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182822780 521498977 /nfs/dbraw/zinc/49/89/77/521498977.db2.gz KBKXAQKJQUWKOD-JKSUJKDBSA-N 2 1 319.449 3.628 20 5 DHBDMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182822780 521498982 /nfs/dbraw/zinc/49/89/82/521498982.db2.gz KBKXAQKJQUWKOD-JKSUJKDBSA-N 2 1 319.449 3.628 20 5 DHBDMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182822780 521498984 /nfs/dbraw/zinc/49/89/84/521498984.db2.gz KBKXAQKJQUWKOD-JKSUJKDBSA-N 2 1 319.449 3.628 20 5 DHBDMP Cc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000319920787 1014278631 /nfs/dbraw/zinc/27/86/31/1014278631.db2.gz BQSAQRMLLZGHBV-HZPDHXFCSA-N 2 1 319.449 3.818 20 5 DHBDMP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000319920787 1014278637 /nfs/dbraw/zinc/27/86/37/1014278637.db2.gz BQSAQRMLLZGHBV-HZPDHXFCSA-N 2 1 319.449 3.818 20 5 DHBDMP CCC[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000336864118 1013015997 /nfs/dbraw/zinc/01/59/97/1013015997.db2.gz DXJKRIGQAGQWHI-GOSISDBHSA-N 2 1 319.449 3.902 20 5 DHBDMP Cc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000390942924 1020237167 /nfs/dbraw/zinc/23/71/67/1020237167.db2.gz KVYQQIFJPNHEHR-HOCLYGCPSA-N 2 1 319.449 3.676 20 5 DHBDMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000122960998 1020329331 /nfs/dbraw/zinc/32/93/31/1020329331.db2.gz UDPBKIJFYJWUKB-AWEZNQCLSA-N 2 1 305.422 3.510 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000532188091 1024570008 /nfs/dbraw/zinc/57/00/08/1024570008.db2.gz AKRCRWMPHOMCKJ-JKSUJKDBSA-N 2 1 319.449 3.818 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000532188091 1024570023 /nfs/dbraw/zinc/57/00/23/1024570023.db2.gz AKRCRWMPHOMCKJ-JKSUJKDBSA-N 2 1 319.449 3.818 20 5 DHBDMP Cc1c([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000089512892 1026053325 /nfs/dbraw/zinc/05/33/25/1026053325.db2.gz VTPQUQOTLRZWGZ-CQSZACIVSA-N 2 1 319.449 3.817 20 5 DHBDMP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000152744079 1035678578 /nfs/dbraw/zinc/67/85/78/1035678578.db2.gz ODVARDWJMWARSE-LBPRGKRZSA-N 2 1 305.422 3.555 20 5 DHBDMP CCCC[NH+]1CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000164475495 1038199488 /nfs/dbraw/zinc/19/94/88/1038199488.db2.gz PWBVJIIVMGEHGV-OAHLLOKOSA-N 2 1 319.449 3.818 20 5 DHBDMP CC[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000320737903 335134262 /nfs/dbraw/zinc/13/42/62/335134262.db2.gz YLCZINKXJZJFTB-GOSISDBHSA-N 2 1 319.449 3.758 20 5 DHBDMP Cc1c([C@@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)cccc1[N+](=O)[O-] ZINC000545519269 341128220 /nfs/dbraw/zinc/12/82/20/341128220.db2.gz YKSVAYZQPQSJKI-OAHLLOKOSA-N 2 1 319.449 3.676 20 5 DHBDMP Cc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000319920789 1014277658 /nfs/dbraw/zinc/27/76/58/1014277658.db2.gz BQSAQRMLLZGHBV-JKSUJKDBSA-N 2 1 319.449 3.818 20 5 DHBDMP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000319920789 1014277666 /nfs/dbraw/zinc/27/76/66/1014277666.db2.gz BQSAQRMLLZGHBV-JKSUJKDBSA-N 2 1 319.449 3.818 20 5 DHBDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000157946588 1015342937 /nfs/dbraw/zinc/34/29/37/1015342937.db2.gz KOEFYIJWZGKYOR-HOTGVXAUSA-N 2 1 319.449 3.758 20 5 DHBDMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000162381262 1020485978 /nfs/dbraw/zinc/48/59/78/1020485978.db2.gz DQPPMXZAUPIVGS-CABCVRRESA-N 2 1 305.422 3.510 20 5 DHBDMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000162381262 1020485984 /nfs/dbraw/zinc/48/59/84/1020485984.db2.gz DQPPMXZAUPIVGS-CABCVRRESA-N 2 1 305.422 3.510 20 5 DHBDMP Cc1c([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000479885827 1033947756 /nfs/dbraw/zinc/94/77/56/1033947756.db2.gz PGTGYGCEPNOWRC-ZBFHGGJFSA-N 2 1 319.449 3.818 20 5 DHBDMP Cc1c([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000479885827 1033947762 /nfs/dbraw/zinc/94/77/62/1033947762.db2.gz PGTGYGCEPNOWRC-ZBFHGGJFSA-N 2 1 319.449 3.818 20 5 DHBDMP CCC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000122841160 1037811219 /nfs/dbraw/zinc/81/12/19/1037811219.db2.gz SMYFPTYSXFNEJS-SFHVURJKSA-N 2 1 317.433 3.652 20 5 DHBDMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000080468490 1038508222 /nfs/dbraw/zinc/50/82/22/1038508222.db2.gz SRIHKYUOONKRKE-BBRMVZONSA-N 2 1 307.438 3.612 20 5 DHBDMP Cc1c([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000480904017 339590349 /nfs/dbraw/zinc/59/03/49/339590349.db2.gz HOWLAOYWOHSYMV-GDBMZVCRSA-N 2 1 319.449 3.676 20 5 DHBDMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000248407887 341376747 /nfs/dbraw/zinc/37/67/47/341376747.db2.gz DQPPMXZAUPIVGS-HUUCEWRRSA-N 2 1 305.422 3.510 20 5 DHBDMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000248407887 341376748 /nfs/dbraw/zinc/37/67/48/341376748.db2.gz DQPPMXZAUPIVGS-HUUCEWRRSA-N 2 1 305.422 3.510 20 5 DHBDMP CC[NH+](CC)CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000338229871 520597201 /nfs/dbraw/zinc/59/72/01/520597201.db2.gz DAJFNFXAWPZSNU-UHFFFAOYSA-N 2 1 307.438 3.537 20 5 DHBDMP CC[NH+](CC)CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000338229871 520597196 /nfs/dbraw/zinc/59/71/96/520597196.db2.gz DAJFNFXAWPZSNU-UHFFFAOYSA-N 2 1 307.438 3.537 20 5 DHBDMP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182822757 521491779 /nfs/dbraw/zinc/49/17/79/521491779.db2.gz KBKXAQKJQUWKOD-HOTGVXAUSA-N 2 1 319.449 3.628 20 5 DHBDMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182822757 521491783 /nfs/dbraw/zinc/49/17/83/521491783.db2.gz KBKXAQKJQUWKOD-HOTGVXAUSA-N 2 1 319.449 3.628 20 5 DHBDMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182822757 521491793 /nfs/dbraw/zinc/49/17/93/521491793.db2.gz KBKXAQKJQUWKOD-HOTGVXAUSA-N 2 1 319.449 3.628 20 5 DHBDMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182822757 521491799 /nfs/dbraw/zinc/49/17/99/521491799.db2.gz KBKXAQKJQUWKOD-HOTGVXAUSA-N 2 1 319.449 3.628 20 5 DHBDMP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000160499711 525401142 /nfs/dbraw/zinc/40/11/42/525401142.db2.gz NFQJRESOVMROAP-CQSZACIVSA-N 2 1 317.433 3.652 20 5 DHBDMP Cc1ccc([C@H](C)NC[C@@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000125819942 1032720070 /nfs/dbraw/zinc/72/00/70/1032720070.db2.gz DODNKRAYEFBQFV-HOTGVXAUSA-N 2 1 319.449 3.674 20 5 DHBDMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000125819942 1032720094 /nfs/dbraw/zinc/72/00/94/1032720094.db2.gz DODNKRAYEFBQFV-HOTGVXAUSA-N 2 1 319.449 3.674 20 5 DHBDMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000125819942 1032720104 /nfs/dbraw/zinc/72/01/04/1032720104.db2.gz DODNKRAYEFBQFV-HOTGVXAUSA-N 2 1 319.449 3.674 20 5 DHBDMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000122961575 1020329892 /nfs/dbraw/zinc/32/98/92/1020329892.db2.gz ZNBFFPPKMKLGML-HNNXBMFYSA-N 2 1 319.449 3.818 20 5 DHBDMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000090585614 1021233237 /nfs/dbraw/zinc/23/32/37/1021233237.db2.gz IGDCFXTZXPQTQP-HOTGVXAUSA-N 2 1 319.449 3.613 20 5 DHBDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000090585614 1021233245 /nfs/dbraw/zinc/23/32/45/1021233245.db2.gz IGDCFXTZXPQTQP-HOTGVXAUSA-N 2 1 319.449 3.613 20 5 DHBDMP CCC[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([NH3+])(CC)CC1 ZINC000925758969 1024003031 /nfs/dbraw/zinc/00/30/31/1024003031.db2.gz JAFCOMCQMWJPFH-MRXNPFEDSA-N 2 1 305.422 3.639 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCN(C2CCC2)CC1 ZINC000532204588 1024577704 /nfs/dbraw/zinc/57/77/04/1024577704.db2.gz GOVJTYSJWXIDMM-AWEZNQCLSA-N 2 1 317.433 3.571 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000532204588 1024577717 /nfs/dbraw/zinc/57/77/17/1024577717.db2.gz GOVJTYSJWXIDMM-AWEZNQCLSA-N 2 1 317.433 3.571 20 5 DHBDMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423449244 1027547086 /nfs/dbraw/zinc/54/70/86/1027547086.db2.gz REUFQYQBIJWJNL-WOPDTQHZSA-N 2 1 319.430 3.710 20 5 DHBDMP CCC[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423533884 1027578680 /nfs/dbraw/zinc/57/86/80/1027578680.db2.gz UNPSDNPEBIVCLN-IAGOWNOFSA-N 2 1 305.422 3.543 20 5 DHBDMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000530952918 1030094459 /nfs/dbraw/zinc/09/44/59/1030094459.db2.gz ACUZVRDGWVXWRY-FUHWJXTLSA-N 2 1 319.449 3.585 20 5 DHBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000873016296 1031694276 /nfs/dbraw/zinc/69/42/76/1031694276.db2.gz IXSWYMQCCLMESI-UHFFFAOYSA-N 2 1 319.449 3.564 20 5 DHBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001173215674 1033598166 /nfs/dbraw/zinc/59/81/66/1033598166.db2.gz YJYPMXDVVNVSOB-HNNXBMFYSA-N 2 1 319.449 3.509 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000159614620 1035074440 /nfs/dbraw/zinc/07/44/40/1035074440.db2.gz NRHADEVAGQGZCS-CYBMUJFWSA-N 2 1 319.449 3.863 20 5 DHBDMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000090586628 1037123252 /nfs/dbraw/zinc/12/32/52/1037123252.db2.gz MWEQXBYTKOBGDY-JKSUJKDBSA-N 2 1 319.449 3.613 20 5 DHBDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000090586628 1037123260 /nfs/dbraw/zinc/12/32/60/1037123260.db2.gz MWEQXBYTKOBGDY-JKSUJKDBSA-N 2 1 319.449 3.613 20 5 DHBDMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000262083247 332019167 /nfs/dbraw/zinc/01/91/67/332019167.db2.gz HFQRXAALZXNBTF-IJEWVQPXSA-N 2 1 305.422 3.556 20 5 DHBDMP Cc1c([C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000477907467 339504112 /nfs/dbraw/zinc/50/41/12/339504112.db2.gz BAGAMBVEMTUAOX-OAHLLOKOSA-N 2 1 319.449 3.676 20 5 DHBDMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000482144682 339624495 /nfs/dbraw/zinc/62/44/95/339624495.db2.gz RBRNWMUNKYQIQP-DLBZAZTESA-N 2 1 319.449 3.585 20 5 DHBDMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000538430095 340823431 /nfs/dbraw/zinc/82/34/31/340823431.db2.gz ROLKEJYPXKMQDU-FUHWJXTLSA-N 2 1 319.449 3.585 20 5 DHBDMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000248891428 341389571 /nfs/dbraw/zinc/38/95/71/341389571.db2.gz BYCBXEDJYIXQOZ-LSDHHAIUSA-N 2 1 305.422 3.510 20 5 DHBDMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000248891428 341389572 /nfs/dbraw/zinc/38/95/72/341389572.db2.gz BYCBXEDJYIXQOZ-LSDHHAIUSA-N 2 1 305.422 3.510 20 5 DHBDMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000248891425 341389590 /nfs/dbraw/zinc/38/95/90/341389590.db2.gz BYCBXEDJYIXQOZ-HUUCEWRRSA-N 2 1 305.422 3.510 20 5 DHBDMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000248891425 341389591 /nfs/dbraw/zinc/38/95/91/341389591.db2.gz BYCBXEDJYIXQOZ-HUUCEWRRSA-N 2 1 305.422 3.510 20 5 DHBDMP Cc1c([C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cccc1[N+](=O)[O-] ZINC000126608393 525894705 /nfs/dbraw/zinc/89/47/05/525894705.db2.gz LWIFSGGVGPZRNY-WZYMTQMTSA-N 2 1 317.433 3.569 20 5 DHBDMP Cc1c([C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000126608393 525894713 /nfs/dbraw/zinc/89/47/13/525894713.db2.gz LWIFSGGVGPZRNY-WZYMTQMTSA-N 2 1 317.433 3.569 20 5 DHBDMP CC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000453415122 1024508899 /nfs/dbraw/zinc/50/88/99/1024508899.db2.gz XCZXMPPEJJSKPO-KRWDZBQOSA-N 2 1 305.422 3.510 20 5 DHBDMP C[C@@H](NCCC[N@@H+](C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000322148039 1025886812 /nfs/dbraw/zinc/88/68/12/1025886812.db2.gz YGERVENLZMHCST-OAHLLOKOSA-N 2 1 319.449 3.900 20 5 DHBDMP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000322148039 1025886830 /nfs/dbraw/zinc/88/68/30/1025886830.db2.gz YGERVENLZMHCST-OAHLLOKOSA-N 2 1 319.449 3.900 20 5 DHBDMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000322148039 1025886853 /nfs/dbraw/zinc/88/68/53/1025886853.db2.gz YGERVENLZMHCST-OAHLLOKOSA-N 2 1 319.449 3.900 20 5 DHBDMP CCC[C@H]([NH2+]C[C@H]1CC[N@@H+](CCC)C1)c1cccc([N+](=O)[O-])c1 ZINC000151119903 1026342554 /nfs/dbraw/zinc/34/25/54/1026342554.db2.gz LWNJFPACPKUDJC-QAPCUYQASA-N 2 1 319.449 3.758 20 5 DHBDMP Cc1c([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000479885824 1033947150 /nfs/dbraw/zinc/94/71/50/1033947150.db2.gz PGTGYGCEPNOWRC-HOCLYGCPSA-N 2 1 319.449 3.818 20 5 DHBDMP Cc1c([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000479885824 1033947160 /nfs/dbraw/zinc/94/71/60/1033947160.db2.gz PGTGYGCEPNOWRC-HOCLYGCPSA-N 2 1 319.449 3.818 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000490103803 1037605690 /nfs/dbraw/zinc/60/56/90/1037605690.db2.gz QTZMEXCGEOEUIG-HZPDHXFCSA-N 2 1 319.449 3.770 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000490103803 1037605704 /nfs/dbraw/zinc/60/57/04/1037605704.db2.gz QTZMEXCGEOEUIG-HZPDHXFCSA-N 2 1 319.449 3.770 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000490103803 1037605710 /nfs/dbraw/zinc/60/57/10/1037605710.db2.gz QTZMEXCGEOEUIG-HZPDHXFCSA-N 2 1 319.449 3.770 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000490103803 1037605718 /nfs/dbraw/zinc/60/57/18/1037605718.db2.gz QTZMEXCGEOEUIG-HZPDHXFCSA-N 2 1 319.449 3.770 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000490103803 1037605722 /nfs/dbraw/zinc/60/57/22/1037605722.db2.gz QTZMEXCGEOEUIG-HZPDHXFCSA-N 2 1 319.449 3.770 20 5 DHBDMP CC(C)c1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000598994378 1038986419 /nfs/dbraw/zinc/98/64/19/1038986419.db2.gz LPZPJJBUMBOWGB-INIZCTEOSA-N 2 1 319.449 3.540 20 5 DHBDMP CC(C)c1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000598994378 1038986432 /nfs/dbraw/zinc/98/64/32/1038986432.db2.gz LPZPJJBUMBOWGB-INIZCTEOSA-N 2 1 319.449 3.540 20 5 DHBDMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000119865713 132138376 /nfs/dbraw/zinc/13/83/76/132138376.db2.gz LWEOSCICALCVQQ-CYBMUJFWSA-N 2 1 305.422 3.508 20 5 DHBDMP CCC[C@@H](NCCC[N@@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000319048529 333249772 /nfs/dbraw/zinc/24/97/72/333249772.db2.gz BQHCDSYBAWZGDS-QGZVFWFLSA-N 2 1 307.438 3.756 20 5 DHBDMP CCC[C@@H]([NH2+]CCC[N@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000319048529 333249773 /nfs/dbraw/zinc/24/97/73/333249773.db2.gz BQHCDSYBAWZGDS-QGZVFWFLSA-N 2 1 307.438 3.756 20 5 DHBDMP CCC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000319048529 333249774 /nfs/dbraw/zinc/24/97/74/333249774.db2.gz BQHCDSYBAWZGDS-QGZVFWFLSA-N 2 1 307.438 3.756 20 5 DHBDMP CC(C)c1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000459724504 339044330 /nfs/dbraw/zinc/04/43/30/339044330.db2.gz FBNPVCDUMYKYJR-OAHLLOKOSA-N 2 1 319.449 3.540 20 5 DHBDMP CC(C)c1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000459724503 339044432 /nfs/dbraw/zinc/04/44/32/339044432.db2.gz FBNPVCDUMYKYJR-HNNXBMFYSA-N 2 1 319.449 3.540 20 5 DHBDMP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000467836858 339247316 /nfs/dbraw/zinc/24/73/16/339247316.db2.gz TUCXCLVKMDNFII-OAGGEKHMSA-N 2 1 319.449 3.613 20 5 DHBDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000173325078 340362262 /nfs/dbraw/zinc/36/22/62/340362262.db2.gz LKXJDAYGDLBFKO-HOTGVXAUSA-N 2 1 319.449 3.758 20 5 DHBDMP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245526157 341299809 /nfs/dbraw/zinc/29/98/09/341299809.db2.gz OVIXHSDVCIQACY-HZPDHXFCSA-N 2 1 319.449 3.628 20 5 DHBDMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245526157 341299810 /nfs/dbraw/zinc/29/98/10/341299810.db2.gz OVIXHSDVCIQACY-HZPDHXFCSA-N 2 1 319.449 3.628 20 5 DHBDMP CC(C)[NH+](CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000155801817 341613407 /nfs/dbraw/zinc/61/34/07/341613407.db2.gz KXLHPWIYUYNQLF-OAHLLOKOSA-N 2 1 307.438 3.754 20 5 DHBDMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000164644150 527404229 /nfs/dbraw/zinc/40/42/29/527404229.db2.gz OFYKYMJOFJSHDN-CQSZACIVSA-N 2 1 316.405 3.539 20 5 DHBDMP CC[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000319889055 1014269983 /nfs/dbraw/zinc/26/99/83/1014269983.db2.gz WUVHQPHXNKJXDT-MAUKXSAKSA-N 2 1 319.449 3.900 20 5 DHBDMP CC[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000319889055 1014269992 /nfs/dbraw/zinc/26/99/92/1014269992.db2.gz WUVHQPHXNKJXDT-MAUKXSAKSA-N 2 1 319.449 3.900 20 5 DHBDMP CCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000316898511 1019945123 /nfs/dbraw/zinc/94/51/23/1019945123.db2.gz ZBNBRYCPECSUDZ-UNEWFSDZSA-N 2 1 305.422 3.508 20 5 DHBDMP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000316898511 1019945130 /nfs/dbraw/zinc/94/51/30/1019945130.db2.gz ZBNBRYCPECSUDZ-UNEWFSDZSA-N 2 1 305.422 3.508 20 5 DHBDMP Cc1c([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000268975039 1024206118 /nfs/dbraw/zinc/20/61/18/1024206118.db2.gz GOBSOEZQJGPABY-CQSZACIVSA-N 2 1 317.433 3.571 20 5 DHBDMP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000322117200 1025732214 /nfs/dbraw/zinc/73/22/14/1025732214.db2.gz QJDLFTWXUBZWOS-HNNXBMFYSA-N 2 1 319.449 3.900 20 5 DHBDMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000322117200 1025732231 /nfs/dbraw/zinc/73/22/31/1025732231.db2.gz QJDLFTWXUBZWOS-HNNXBMFYSA-N 2 1 319.449 3.900 20 5 DHBDMP CCC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000122841394 1037810755 /nfs/dbraw/zinc/81/07/55/1037810755.db2.gz SMYFPTYSXFNEJS-GOSISDBHSA-N 2 1 317.433 3.652 20 5 DHBDMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000262083227 332018747 /nfs/dbraw/zinc/01/87/47/332018747.db2.gz HFQRXAALZXNBTF-FMKPAKJESA-N 2 1 305.422 3.556 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000531938897 334299656 /nfs/dbraw/zinc/29/96/56/334299656.db2.gz UBEHYOQFYAITNE-GDBMZVCRSA-N 2 1 319.449 3.676 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000531944328 334300338 /nfs/dbraw/zinc/30/03/38/334300338.db2.gz FSDPLWSUBIYEJX-INIZCTEOSA-N 2 1 319.449 3.676 20 5 DHBDMP CCC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000192950589 336285844 /nfs/dbraw/zinc/28/58/44/336285844.db2.gz KOKKACHJHREXPW-GOSISDBHSA-N 2 1 319.449 3.898 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000544896261 341098022 /nfs/dbraw/zinc/09/80/22/341098022.db2.gz SHOGRMFCBHUFMT-HNNXBMFYSA-N 2 1 319.449 3.676 20 5 DHBDMP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245520976 341299755 /nfs/dbraw/zinc/29/97/55/341299755.db2.gz KBKXAQKJQUWKOD-CVEARBPZSA-N 2 1 319.449 3.628 20 5 DHBDMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245520976 341299756 /nfs/dbraw/zinc/29/97/56/341299756.db2.gz KBKXAQKJQUWKOD-CVEARBPZSA-N 2 1 319.449 3.628 20 5 DHBDMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245520976 341299757 /nfs/dbraw/zinc/29/97/57/341299757.db2.gz KBKXAQKJQUWKOD-CVEARBPZSA-N 2 1 319.449 3.628 20 5 DHBDMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245520976 341299758 /nfs/dbraw/zinc/29/97/58/341299758.db2.gz KBKXAQKJQUWKOD-CVEARBPZSA-N 2 1 319.449 3.628 20 5 DHBDMP Cc1c([C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000177836302 1014403097 /nfs/dbraw/zinc/40/30/97/1014403097.db2.gz ZPXGWXBJHIOIJX-OAHLLOKOSA-N 2 1 319.449 3.674 20 5 DHBDMP CCC[N@@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000347110661 1016737155 /nfs/dbraw/zinc/73/71/55/1016737155.db2.gz NPXGNXIZHLCOFL-UHFFFAOYSA-N 2 1 319.449 3.682 20 5 DHBDMP Cc1ccc([C@@H](C)NC[C@@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000125819780 1032721976 /nfs/dbraw/zinc/72/19/76/1032721976.db2.gz DODNKRAYEFBQFV-CVEARBPZSA-N 2 1 319.449 3.674 20 5 DHBDMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000125819780 1032721992 /nfs/dbraw/zinc/72/19/92/1032721992.db2.gz DODNKRAYEFBQFV-CVEARBPZSA-N 2 1 319.449 3.674 20 5 DHBDMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000125819780 1032722008 /nfs/dbraw/zinc/72/20/08/1032722008.db2.gz DODNKRAYEFBQFV-CVEARBPZSA-N 2 1 319.449 3.674 20 5 DHBDMP C[C@@H]([NH2+]CC[C@@H](C)[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000184503544 1018085468 /nfs/dbraw/zinc/08/54/68/1018085468.db2.gz IBGDRLGLWZZFRD-HUUCEWRRSA-N 2 1 305.422 3.510 20 5 DHBDMP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000122961721 1020328973 /nfs/dbraw/zinc/32/89/73/1020328973.db2.gz ZNBFFPPKMKLGML-OAHLLOKOSA-N 2 1 319.449 3.818 20 5 DHBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000876559481 1033091702 /nfs/dbraw/zinc/09/17/02/1033091702.db2.gz ABYZNIZNQNTQLV-UHFFFAOYSA-N 2 1 319.449 3.516 20 5 DHBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000876559481 1033091709 /nfs/dbraw/zinc/09/17/09/1033091709.db2.gz ABYZNIZNQNTQLV-UHFFFAOYSA-N 2 1 319.449 3.516 20 5 DHBDMP CC[N+](C)(C)Cc1ccccc1NCCC[N@H+]1CCCC[C@@H]1C ZINC001167753126 1023044299 /nfs/dbraw/zinc/04/42/99/1023044299.db2.gz KWXLFKGWUNJDGM-SFHVURJKSA-N 2 1 318.529 3.959 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000532188090 1024570695 /nfs/dbraw/zinc/57/06/95/1024570695.db2.gz AKRCRWMPHOMCKJ-HZPDHXFCSA-N 2 1 319.449 3.818 20 5 DHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000532188090 1024570699 /nfs/dbraw/zinc/57/06/99/1024570699.db2.gz AKRCRWMPHOMCKJ-HZPDHXFCSA-N 2 1 319.449 3.818 20 5 DHBDMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433172021 338184018 /nfs/dbraw/zinc/18/40/18/338184018.db2.gz BTTMPAMYACJFKH-QGZVFWFLSA-N 2 1 319.449 3.637 20 5 DHBDMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433172021 338184019 /nfs/dbraw/zinc/18/40/19/338184019.db2.gz BTTMPAMYACJFKH-QGZVFWFLSA-N 2 1 319.449 3.637 20 5 DHBDMP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182815954 520741255 /nfs/dbraw/zinc/74/12/55/520741255.db2.gz OVIXHSDVCIQACY-JKSUJKDBSA-N 2 1 319.449 3.628 20 5 DHBDMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182815954 520741258 /nfs/dbraw/zinc/74/12/58/520741258.db2.gz OVIXHSDVCIQACY-JKSUJKDBSA-N 2 1 319.449 3.628 20 5 DHBDMP