smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)[C@@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174699632 198372064 /nfs/dbraw/zinc/37/20/64/198372064.db2.gz KVNFPYFOGXMQFG-RYUDHWBXSA-N 1 2 312.326 0.180 10 5 DCBELO COC(=O)[C@@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174699632 198372066 /nfs/dbraw/zinc/37/20/66/198372066.db2.gz KVNFPYFOGXMQFG-RYUDHWBXSA-N 1 2 312.326 0.180 10 5 DCBELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@H]21 ZINC000284428067 131080058 /nfs/dbraw/zinc/08/00/58/131080058.db2.gz FKHLKRYKOCWVDB-ZIAGYGMSSA-N 1 2 321.333 0.846 10 5 DCBELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@H]21 ZINC000284428067 131080059 /nfs/dbraw/zinc/08/00/59/131080059.db2.gz FKHLKRYKOCWVDB-ZIAGYGMSSA-N 1 2 321.333 0.846 10 5 DCBELO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(F)F)cc1 ZINC000367471188 296508810 /nfs/dbraw/zinc/50/88/10/296508810.db2.gz ZHRPFVGWCKLJDU-SNVBAGLBSA-N 1 2 321.305 0.822 10 5 DCBELO COCC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@@H]1C ZINC000184671784 396301574 /nfs/dbraw/zinc/30/15/74/396301574.db2.gz ZEOKGYIGXAGVSI-JTQLQIEISA-N 1 2 323.353 0.365 10 5 DCBELO COCC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@@H]1C ZINC000184671784 396301577 /nfs/dbraw/zinc/30/15/77/396301577.db2.gz ZEOKGYIGXAGVSI-JTQLQIEISA-N 1 2 323.353 0.365 10 5 DCBELO CCc1n[nH]c(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000189617721 396397181 /nfs/dbraw/zinc/39/71/81/396397181.db2.gz GGCKRFUNKDPUHA-VIFPVBQESA-N 1 2 311.342 0.019 10 5 DCBELO CCc1n[nH]c(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000189617721 396397182 /nfs/dbraw/zinc/39/71/82/396397182.db2.gz GGCKRFUNKDPUHA-VIFPVBQESA-N 1 2 311.342 0.019 10 5 DCBELO CCc1[nH]nc(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000189617721 396397184 /nfs/dbraw/zinc/39/71/84/396397184.db2.gz GGCKRFUNKDPUHA-VIFPVBQESA-N 1 2 311.342 0.019 10 5 DCBELO CCc1[nH]nc(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000189617721 396397186 /nfs/dbraw/zinc/39/71/86/396397186.db2.gz GGCKRFUNKDPUHA-VIFPVBQESA-N 1 2 311.342 0.019 10 5 DCBELO CN(C)c1[nH+]cccc1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000043056785 415216614 /nfs/dbraw/zinc/21/66/14/415216614.db2.gz KDVWEODFDWWYGE-UHFFFAOYSA-N 1 2 304.310 0.569 10 5 DCBELO C[C@@H](C[NH+]1CCOCC1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000193971178 416320915 /nfs/dbraw/zinc/32/09/15/416320915.db2.gz WHSUOGOWFTZHMH-VIFPVBQESA-N 1 2 309.326 0.221 10 5 DCBELO C[C@H]1C[N@H+](CCNc2ccc3ncc([N+](=O)[O-])n3n2)CCO1 ZINC000534311102 416499380 /nfs/dbraw/zinc/49/93/80/416499380.db2.gz QMUPPJITMHWKKA-JTQLQIEISA-N 1 2 306.326 0.770 10 5 DCBELO C[C@H]1C[N@@H+](CCNc2ccc3ncc([N+](=O)[O-])n3n2)CCO1 ZINC000534311102 416499384 /nfs/dbraw/zinc/49/93/84/416499384.db2.gz QMUPPJITMHWKKA-JTQLQIEISA-N 1 2 306.326 0.770 10 5 DCBELO Cc1cc(C(=O)NC[C@@H](C)[NH+]2CCOCC2)c(N)c([N+](=O)[O-])c1 ZINC000068513916 396057900 /nfs/dbraw/zinc/05/79/00/396057900.db2.gz PHTRCINSDFPUMH-LLVKDONJSA-N 1 2 322.365 0.936 10 5 DCBELO C[C@@H](C[NH+]1CCN(C)CC1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000264438697 396280425 /nfs/dbraw/zinc/28/04/25/396280425.db2.gz WHYPRJZKLWVGMV-JTQLQIEISA-N 1 2 322.369 0.137 10 5 DCBELO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3C[C@H](O)C[C@@H]3CO)n2)cc1 ZINC000179172943 396223241 /nfs/dbraw/zinc/22/32/41/396223241.db2.gz GIUMLKHABZQZAD-VXGBXAGGSA-N 1 2 320.305 0.572 10 5 DCBELO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3C[C@H](O)C[C@@H]3CO)n2)cc1 ZINC000179172943 396223245 /nfs/dbraw/zinc/22/32/45/396223245.db2.gz GIUMLKHABZQZAD-VXGBXAGGSA-N 1 2 320.305 0.572 10 5 DCBELO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000128097869 525561806 /nfs/dbraw/zinc/56/18/06/525561806.db2.gz XFUBOKKSHKYOKP-ZDUSSCGKSA-N 1 2 323.349 0.326 10 5 DCBELO C[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@H]1[NH+]1CCOCC1 ZINC000408052983 290756938 /nfs/dbraw/zinc/75/69/38/290756938.db2.gz NDNIJCPPQDBXPU-CMPLNLGQSA-N 1 2 323.353 0.121 10 5 DCBELO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc([N+](=O)[O-])ccc1O ZINC000182133742 199391287 /nfs/dbraw/zinc/39/12/87/199391287.db2.gz VHVOLRZMUIKGRP-LBPRGKRZSA-N 1 2 323.349 0.877 10 5 DCBELO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000188687613 200287607 /nfs/dbraw/zinc/28/76/07/200287607.db2.gz IZUZITAMRSWBCS-JTQLQIEISA-N 1 2 308.338 0.437 10 5 DCBELO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000188687613 200287609 /nfs/dbraw/zinc/28/76/09/200287609.db2.gz IZUZITAMRSWBCS-JTQLQIEISA-N 1 2 308.338 0.437 10 5 DCBELO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000128098068 280658459 /nfs/dbraw/zinc/65/84/59/280658459.db2.gz XFUBOKKSHKYOKP-CYBMUJFWSA-N 1 2 323.349 0.326 10 5 DCBELO C[N@@H+]1CCO[C@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000130280196 523948031 /nfs/dbraw/zinc/94/80/31/523948031.db2.gz BLVVDHHNXMFINF-CQSZACIVSA-N 1 2 307.350 0.974 10 5 DCBELO C[N@H+]1CCO[C@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000130280196 523948034 /nfs/dbraw/zinc/94/80/34/523948034.db2.gz BLVVDHHNXMFINF-CQSZACIVSA-N 1 2 307.350 0.974 10 5 DCBELO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000729338740 662789015 /nfs/dbraw/zinc/78/90/15/662789015.db2.gz QKEZDRCRRJUEHL-JTQLQIEISA-N 1 2 321.341 0.614 10 5 DCBELO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000090698707 283717016 /nfs/dbraw/zinc/71/70/16/283717016.db2.gz WPJXGIPPVYMTJY-YFCVBGDOSA-N 1 2 316.361 0.724 10 5 DCBELO C[C@H]1C(=O)NCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000189294768 396392964 /nfs/dbraw/zinc/39/29/64/396392964.db2.gz GRIQEGGIPKZHCX-VIFPVBQESA-N 1 2 306.322 0.404 10 5 DCBELO C[C@H]1C(=O)NCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000189294768 396392965 /nfs/dbraw/zinc/39/29/65/396392965.db2.gz GRIQEGGIPKZHCX-VIFPVBQESA-N 1 2 306.322 0.404 10 5 DCBELO NC(=O)c1ccc(C[N@@H+]2CCN3CCOC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000368223573 159382827 /nfs/dbraw/zinc/38/28/27/159382827.db2.gz QGDVMEWKYWSKLK-ZDUSSCGKSA-N 1 2 320.349 0.210 10 5 DCBELO NC(=O)c1ccc(C[N@H+]2CCN3CCOC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000368223573 159382830 /nfs/dbraw/zinc/38/28/30/159382830.db2.gz QGDVMEWKYWSKLK-ZDUSSCGKSA-N 1 2 320.349 0.210 10 5 DCBELO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@H]1C[NH+]2CCN1CC2 ZINC000178636345 416167493 /nfs/dbraw/zinc/16/74/93/416167493.db2.gz ISUDWZLNFNEFHW-GJBLVYBDSA-N 1 2 316.361 0.724 10 5 DCBELO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cccc(O)c3[N+](=O)[O-])[C@@H]2C1 ZINC000285114305 536468820 /nfs/dbraw/zinc/46/88/20/536468820.db2.gz VAEQHAWWJDETCO-YPMHNXCESA-N 1 2 321.333 0.846 10 5 DCBELO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cccc(O)c3[N+](=O)[O-])[C@@H]2C1 ZINC000285114305 536468821 /nfs/dbraw/zinc/46/88/21/536468821.db2.gz VAEQHAWWJDETCO-YPMHNXCESA-N 1 2 321.333 0.846 10 5 DCBELO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H]1[NH+]1CCOCC1 ZINC000286071272 218776790 /nfs/dbraw/zinc/77/67/90/218776790.db2.gz LVLNBVGERFTKGQ-KOLCDFICSA-N 1 2 309.326 0.111 10 5 DCBELO CNC(=O)[C@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000248436033 395986926 /nfs/dbraw/zinc/98/69/26/395986926.db2.gz GCIQHWGXBAUOBC-CHWSQXEVSA-N 1 2 309.322 0.075 10 5 DCBELO CNC(=O)[C@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000248436033 395986927 /nfs/dbraw/zinc/98/69/27/395986927.db2.gz GCIQHWGXBAUOBC-CHWSQXEVSA-N 1 2 309.322 0.075 10 5 DCBELO C[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000408038344 278420034 /nfs/dbraw/zinc/42/00/34/278420034.db2.gz KQSPTMOORVEXRQ-QWRGUYRKSA-N 1 2 323.353 0.121 10 5 DCBELO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccc([N+](=O)[O-])cc1O ZINC000157929961 526551286 /nfs/dbraw/zinc/55/12/86/526551286.db2.gz SQYIIUHTAOZTCQ-GFCCVEGCSA-N 1 2 321.333 0.893 10 5 DCBELO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccc([N+](=O)[O-])cc1O ZINC000157929961 526551288 /nfs/dbraw/zinc/55/12/88/526551288.db2.gz SQYIIUHTAOZTCQ-GFCCVEGCSA-N 1 2 321.333 0.893 10 5 DCBELO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cccc(O)c3[N+](=O)[O-])[C@H]2C1 ZINC000285114296 536469235 /nfs/dbraw/zinc/46/92/35/536469235.db2.gz VAEQHAWWJDETCO-AAEUAGOBSA-N 1 2 321.333 0.846 10 5 DCBELO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cccc(O)c3[N+](=O)[O-])[C@H]2C1 ZINC000285114296 536469237 /nfs/dbraw/zinc/46/92/37/536469237.db2.gz VAEQHAWWJDETCO-AAEUAGOBSA-N 1 2 321.333 0.846 10 5 DCBELO C[C@@]1(C(N)=O)CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000185927063 396337240 /nfs/dbraw/zinc/33/72/40/396337240.db2.gz OZEHAKSNBUOTEY-HNNXBMFYSA-N 1 2 320.349 0.924 10 5 DCBELO C[C@@]1(C(N)=O)CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000185927063 396337243 /nfs/dbraw/zinc/33/72/43/396337243.db2.gz OZEHAKSNBUOTEY-HNNXBMFYSA-N 1 2 320.349 0.924 10 5 DCBELO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H]1[NH+]1CCOCC1 ZINC000408231196 160064874 /nfs/dbraw/zinc/06/48/74/160064874.db2.gz GJPXTJHUKOZKJA-YPMHNXCESA-N 1 2 322.365 0.726 10 5 DCBELO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccc[nH+]c1N(C)C ZINC000065867081 415356503 /nfs/dbraw/zinc/35/65/03/415356503.db2.gz OPPKQCVSIQOMHI-UHFFFAOYSA-N 1 2 318.337 0.877 10 5 DCBELO Nc1ccc(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000115164691 415725251 /nfs/dbraw/zinc/72/52/51/415725251.db2.gz VHUYLJQENGTEIH-LBPRGKRZSA-N 1 2 320.349 0.770 10 5 DCBELO Nc1ccc(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000115164691 415725258 /nfs/dbraw/zinc/72/52/58/415725258.db2.gz VHUYLJQENGTEIH-LBPRGKRZSA-N 1 2 320.349 0.770 10 5 DCBELO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178627422 416167768 /nfs/dbraw/zinc/16/77/68/416167768.db2.gz CKWSGSVICVXRHP-LBPRGKRZSA-N 1 2 305.338 0.028 10 5 DCBELO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000115164546 395838417 /nfs/dbraw/zinc/83/84/17/395838417.db2.gz LWZTUEMTJCJEPZ-ZDUSSCGKSA-N 1 2 323.353 0.161 10 5 DCBELO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000115164546 395838420 /nfs/dbraw/zinc/83/84/20/395838420.db2.gz LWZTUEMTJCJEPZ-ZDUSSCGKSA-N 1 2 323.353 0.161 10 5 DCBELO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)n1 ZINC000600840497 396956001 /nfs/dbraw/zinc/95/60/01/396956001.db2.gz OHQHORHQPKMQGC-SNVBAGLBSA-N 1 2 304.310 0.830 10 5 DCBELO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000114856792 158158150 /nfs/dbraw/zinc/15/81/50/158158150.db2.gz JUVNNXOSSJLORU-LBPRGKRZSA-N 1 2 323.353 0.079 10 5 DCBELO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000114856792 158158153 /nfs/dbraw/zinc/15/81/53/158158153.db2.gz JUVNNXOSSJLORU-LBPRGKRZSA-N 1 2 323.353 0.079 10 5 DCBELO O=C(C[N@@H+]1CCNC(=O)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000125669150 158258171 /nfs/dbraw/zinc/25/81/71/158258171.db2.gz VQFYPGLKGIBOFO-UHFFFAOYSA-N 1 2 318.333 0.306 10 5 DCBELO O=C(C[N@H+]1CCNC(=O)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000125669150 158258173 /nfs/dbraw/zinc/25/81/73/158258173.db2.gz VQFYPGLKGIBOFO-UHFFFAOYSA-N 1 2 318.333 0.306 10 5 DCBELO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172759803 158399572 /nfs/dbraw/zinc/39/95/72/158399572.db2.gz FFRYRYGDHIMCKO-GFCCVEGCSA-N 1 2 323.353 0.115 10 5 DCBELO Cc1nnc([C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CCO2)[nH]1 ZINC000174878645 416090201 /nfs/dbraw/zinc/09/02/01/416090201.db2.gz SPZFULZRQGWOCM-NSHDSACASA-N 1 2 307.314 0.291 10 5 DCBELO Cc1nnc([C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CCO2)[nH]1 ZINC000174878645 416090208 /nfs/dbraw/zinc/09/02/08/416090208.db2.gz SPZFULZRQGWOCM-NSHDSACASA-N 1 2 307.314 0.291 10 5 DCBELO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)[C@@H]2C1 ZINC000285275525 536479586 /nfs/dbraw/zinc/47/95/86/536479586.db2.gz AWZLOEYESJWELE-TZMCWYRMSA-N 1 2 321.333 0.846 10 5 DCBELO C[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)[C@@H]2C1 ZINC000285275525 536479588 /nfs/dbraw/zinc/47/95/88/536479588.db2.gz AWZLOEYESJWELE-TZMCWYRMSA-N 1 2 321.333 0.846 10 5 DCBELO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc([N+](=O)[O-])ccc1O ZINC000182133759 199391557 /nfs/dbraw/zinc/39/15/57/199391557.db2.gz VHVOLRZMUIKGRP-GFCCVEGCSA-N 1 2 323.349 0.877 10 5 DCBELO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1CCO ZINC000187271281 200087057 /nfs/dbraw/zinc/08/70/57/200087057.db2.gz ZHIWOAAONSFNOI-SNVBAGLBSA-N 1 2 311.313 0.873 10 5 DCBELO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1CCO ZINC000187271281 200087058 /nfs/dbraw/zinc/08/70/58/200087058.db2.gz ZHIWOAAONSFNOI-SNVBAGLBSA-N 1 2 311.313 0.873 10 5 DCBELO CC(C)(NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(N)=O ZINC000057256055 395941578 /nfs/dbraw/zinc/94/15/78/395941578.db2.gz NKBLHOXFAVKAHF-UHFFFAOYSA-N 1 2 317.305 0.774 10 5 DCBELO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1O ZINC000185110902 396318026 /nfs/dbraw/zinc/31/80/26/396318026.db2.gz NCENHWWBMAMYRK-LBPRGKRZSA-N 1 2 323.349 0.877 10 5 DCBELO NC(=O)c1ccc(C[N@@H+]2CCN3CCOC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000368223572 159382780 /nfs/dbraw/zinc/38/27/80/159382780.db2.gz QGDVMEWKYWSKLK-CYBMUJFWSA-N 1 2 320.349 0.210 10 5 DCBELO NC(=O)c1ccc(C[N@H+]2CCN3CCOC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000368223572 159382782 /nfs/dbraw/zinc/38/27/82/159382782.db2.gz QGDVMEWKYWSKLK-CYBMUJFWSA-N 1 2 320.349 0.210 10 5 DCBELO C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000408288893 160076699 /nfs/dbraw/zinc/07/66/99/160076699.db2.gz AIPKGEUPLLGPNT-OLZOCXBDSA-N 1 2 309.297 0.889 10 5 DCBELO C[N@H+]1CCO[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000408288893 160076702 /nfs/dbraw/zinc/07/67/02/160076702.db2.gz AIPKGEUPLLGPNT-OLZOCXBDSA-N 1 2 309.297 0.889 10 5 DCBELO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000187262568 261122543 /nfs/dbraw/zinc/12/25/43/261122543.db2.gz SZEPNJSABVHLAJ-LLVKDONJSA-N 1 2 323.349 0.742 10 5 DCBELO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000187262568 261122544 /nfs/dbraw/zinc/12/25/44/261122544.db2.gz SZEPNJSABVHLAJ-LLVKDONJSA-N 1 2 323.349 0.742 10 5 DCBELO O=[N+]([O-])c1ccc(OC[C@H](O)C[NH+]2CCOCC2)c(F)c1 ZINC000153906752 237026080 /nfs/dbraw/zinc/02/60/80/237026080.db2.gz KBGOAQZATLNVDU-LLVKDONJSA-N 1 2 300.286 0.806 10 5 DCBELO COc1ccc(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000187286617 200088945 /nfs/dbraw/zinc/08/89/45/200088945.db2.gz INIGLLJJQBVIRN-NSHDSACASA-N 1 2 323.349 0.742 10 5 DCBELO COc1ccc(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000187286617 200088947 /nfs/dbraw/zinc/08/89/47/200088947.db2.gz INIGLLJJQBVIRN-NSHDSACASA-N 1 2 323.349 0.742 10 5 DCBELO COCCNc1nc[nH+]c(NN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000040623617 183109754 /nfs/dbraw/zinc/10/97/54/183109754.db2.gz LYHQQDNZCPMKKV-UHFFFAOYSA-N 1 2 311.346 0.017 10 5 DCBELO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CCO1 ZINC000116977894 395849575 /nfs/dbraw/zinc/84/95/75/395849575.db2.gz GXNJXSZDJBLWST-LLVKDONJSA-N 1 2 309.322 0.703 10 5 DCBELO COc1cc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000171286887 396112797 /nfs/dbraw/zinc/11/27/97/396112797.db2.gz DWHIXNSXKJFYMF-LLVKDONJSA-N 1 2 309.322 0.664 10 5 DCBELO COc1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000171286887 396112801 /nfs/dbraw/zinc/11/28/01/396112801.db2.gz DWHIXNSXKJFYMF-LLVKDONJSA-N 1 2 309.322 0.664 10 5 DCBELO C[N@@H+]1CCO[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000171288776 396113084 /nfs/dbraw/zinc/11/30/84/396113084.db2.gz LWGJXAOXGVAMCC-ZDUSSCGKSA-N 1 2 309.322 0.420 10 5 DCBELO C[N@H+]1CCO[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000171288776 396113086 /nfs/dbraw/zinc/11/30/86/396113086.db2.gz LWGJXAOXGVAMCC-ZDUSSCGKSA-N 1 2 309.322 0.420 10 5 DCBELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])s1 ZINC000176438868 396155756 /nfs/dbraw/zinc/15/57/56/396155756.db2.gz RTNAQRKCCBACSP-VIFPVBQESA-N 1 2 315.351 0.079 10 5 DCBELO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000188786333 396386502 /nfs/dbraw/zinc/38/65/02/396386502.db2.gz FSIPKXKSPPDZTL-NSHDSACASA-N 1 2 323.349 0.742 10 5 DCBELO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000188786333 396386505 /nfs/dbraw/zinc/38/65/05/396386505.db2.gz FSIPKXKSPPDZTL-NSHDSACASA-N 1 2 323.349 0.742 10 5 DCBELO C[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000408038343 160019288 /nfs/dbraw/zinc/01/92/88/160019288.db2.gz KQSPTMOORVEXRQ-MNOVXSKESA-N 1 2 323.353 0.121 10 5 DCBELO C[N@@H+]1CCO[C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000130280406 523936953 /nfs/dbraw/zinc/93/69/53/523936953.db2.gz BLVVDHHNXMFINF-AWEZNQCLSA-N 1 2 307.350 0.974 10 5 DCBELO C[N@H+]1CCO[C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000130280406 523936955 /nfs/dbraw/zinc/93/69/55/523936955.db2.gz BLVVDHHNXMFINF-AWEZNQCLSA-N 1 2 307.350 0.974 10 5 DCBELO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCN1CCO ZINC000187706801 237357682 /nfs/dbraw/zinc/35/76/82/237357682.db2.gz OFNPGLVAPGFKBK-CYBMUJFWSA-N 1 2 309.366 0.972 10 5 DCBELO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCN1CCO ZINC000187706801 237357690 /nfs/dbraw/zinc/35/76/90/237357690.db2.gz OFNPGLVAPGFKBK-CYBMUJFWSA-N 1 2 309.366 0.972 10 5 DCBELO C[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000122652732 395887975 /nfs/dbraw/zinc/88/79/75/395887975.db2.gz GAKJVVXZZYATBM-ONGXEEELSA-N 1 2 309.326 0.111 10 5 DCBELO C[N@@H+]1CCO[C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000171288771 396113090 /nfs/dbraw/zinc/11/30/90/396113090.db2.gz LWGJXAOXGVAMCC-CYBMUJFWSA-N 1 2 309.322 0.420 10 5 DCBELO C[N@H+]1CCO[C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000171288771 396113091 /nfs/dbraw/zinc/11/30/91/396113091.db2.gz LWGJXAOXGVAMCC-CYBMUJFWSA-N 1 2 309.322 0.420 10 5 DCBELO Cc1nnc(CN2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)[nH]1 ZINC000611431105 396866077 /nfs/dbraw/zinc/86/60/77/396866077.db2.gz QEXXBAIQNXUCSC-UHFFFAOYSA-N 1 2 320.357 0.036 10 5 DCBELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000170683847 416028762 /nfs/dbraw/zinc/02/87/62/416028762.db2.gz SGYVGYCRHNIUDS-VIFPVBQESA-N 1 2 312.301 0.377 10 5 DCBELO C[N@H+]1CCO[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000170683847 416028765 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306.322 0.332 10 5 DCBELO COc1ccc(OCC[N@@H+]2CCNC(=O)CC2)c([N+](=O)[O-])c1 ZINC000173657519 198237156 /nfs/dbraw/zinc/23/71/56/198237156.db2.gz XPIUIZMLDQSCIR-UHFFFAOYSA-N 1 2 309.322 0.804 10 5 DCBELO COc1ccc(OCC[N@H+]2CCNC(=O)CC2)c([N+](=O)[O-])c1 ZINC000173657519 198237158 /nfs/dbraw/zinc/23/71/58/198237158.db2.gz XPIUIZMLDQSCIR-UHFFFAOYSA-N 1 2 309.322 0.804 10 5 DCBELO C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000074773784 191358084 /nfs/dbraw/zinc/35/80/84/191358084.db2.gz XLKDXILUOAUWJQ-LLVKDONJSA-N 1 2 315.351 0.204 10 5 DCBELO C[N@H+]1CCO[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000074773784 191358087 /nfs/dbraw/zinc/35/80/87/191358087.db2.gz XLKDXILUOAUWJQ-LLVKDONJSA-N 1 2 315.351 0.204 10 5 DCBELO C[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000104785568 194039998 /nfs/dbraw/zinc/03/99/98/194039998.db2.gz SXFWLOPZRHBVRI-ZDUSSCGKSA-N 1 2 308.338 0.725 10 5 DCBELO C[N@H+]1CCO[C@@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000104785568 194040000 /nfs/dbraw/zinc/04/00/00/194040000.db2.gz SXFWLOPZRHBVRI-ZDUSSCGKSA-N 1 2 308.338 0.725 10 5 DCBELO CCCc1n[nH]c(C(=O)NC[C@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC000109621079 395797972 /nfs/dbraw/zinc/79/79/72/395797972.db2.gz XEJFMBCCJNVCPW-VIFPVBQESA-N 1 2 311.342 0.331 10 5 DCBELO CCCc1n[nH]c(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC000109621079 395797974 /nfs/dbraw/zinc/79/79/74/395797974.db2.gz XEJFMBCCJNVCPW-VIFPVBQESA-N 1 2 311.342 0.331 10 5 DCBELO COc1cc(C(=O)NC[C@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000171286891 396112702 /nfs/dbraw/zinc/11/27/02/396112702.db2.gz DWHIXNSXKJFYMF-NSHDSACASA-N 1 2 309.322 0.664 10 5 DCBELO COc1cc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000171286891 396112704 /nfs/dbraw/zinc/11/27/04/396112704.db2.gz DWHIXNSXKJFYMF-NSHDSACASA-N 1 2 309.322 0.664 10 5 DCBELO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000408182218 160054692 /nfs/dbraw/zinc/05/46/92/160054692.db2.gz IWEZLASRAWGZAL-UHFFFAOYSA-N 1 2 310.354 0.957 10 5 DCBELO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000408182218 160054693 /nfs/dbraw/zinc/05/46/93/160054693.db2.gz IWEZLASRAWGZAL-UHFFFAOYSA-N 1 2 310.354 0.957 10 5 DCBELO Cc1n[nH]c(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000266161059 287129780 /nfs/dbraw/zinc/12/97/80/287129780.db2.gz ITKBYEMCKITHPR-GXSJLCMTSA-N 1 2 323.353 0.419 10 5 DCBELO Cc1[nH]nc(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000266161059 287129784 /nfs/dbraw/zinc/12/97/84/287129784.db2.gz ITKBYEMCKITHPR-GXSJLCMTSA-N 1 2 323.353 0.419 10 5 DCBELO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000128059897 526074399 /nfs/dbraw/zinc/07/43/99/526074399.db2.gz BDISTTXHLFTERU-CYBMUJFWSA-N 1 2 323.349 0.326 10 5 DCBELO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000729338865 662789035 /nfs/dbraw/zinc/78/90/35/662789035.db2.gz QKEZDRCRRJUEHL-SNVBAGLBSA-N 1 2 321.341 0.614 10 5 DCBELO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185193098 285221453 /nfs/dbraw/zinc/22/14/53/285221453.db2.gz YYCMXNXMSNAWCF-AWEZNQCLSA-N 1 2 309.322 0.248 10 5 DCBELO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185193098 285221458 /nfs/dbraw/zinc/22/14/58/285221458.db2.gz YYCMXNXMSNAWCF-AWEZNQCLSA-N 1 2 309.322 0.248 10 5 DCBELO COC(=O)[C@@]1(C)CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000186367741 396348926 /nfs/dbraw/zinc/34/89/26/396348926.db2.gz UQZYCQVQDIZBMZ-CQSZACIVSA-N 1 2 309.322 0.784 10 5 DCBELO COC(=O)[C@@]1(C)CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000186367741 396348929 /nfs/dbraw/zinc/34/89/29/396348929.db2.gz UQZYCQVQDIZBMZ-CQSZACIVSA-N 1 2 309.322 0.784 10 5 DCBELO COc1cccc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC000192467655 416305806 /nfs/dbraw/zinc/30/58/06/416305806.db2.gz HUOYEBZVHQPQCG-SNVBAGLBSA-N 1 2 309.322 0.664 10 5 DCBELO COc1cccc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC000192467655 416305810 /nfs/dbraw/zinc/30/58/10/416305810.db2.gz HUOYEBZVHQPQCG-SNVBAGLBSA-N 1 2 309.322 0.664 10 5 DCBELO CCc1nc(C(C)(C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)no1 ZINC000441256166 416668781 /nfs/dbraw/zinc/66/87/81/416668781.db2.gz MRBXQFMQHCTQMX-SNVBAGLBSA-N 1 2 324.341 0.623 10 5 DCBELO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H]1[NH+]1CCOCC1 ZINC000408233493 278411179 /nfs/dbraw/zinc/41/11/79/278411179.db2.gz VDRRZIPYMHSOPS-GWCFXTLKSA-N 1 2 308.338 0.716 10 5 DCBELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000286250265 290112404 /nfs/dbraw/zinc/11/24/04/290112404.db2.gz DZQGWZNMNNLVPF-STQMWFEESA-N 1 2 320.349 0.722 10 5 DCBELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000286250265 290112407 /nfs/dbraw/zinc/11/24/07/290112407.db2.gz DZQGWZNMNNLVPF-STQMWFEESA-N 1 2 320.349 0.722 10 5 DCBELO C[N@@H+]1CCO[C@H]2CN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@H]21 ZINC000408150559 290119126 /nfs/dbraw/zinc/11/91/26/290119126.db2.gz MNTSOXWMDSEAQU-NEPJUHHUSA-N 1 2 306.322 0.332 10 5 DCBELO C[N@H+]1CCO[C@H]2CN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@H]21 ZINC000408150559 290119128 /nfs/dbraw/zinc/11/91/28/290119128.db2.gz MNTSOXWMDSEAQU-NEPJUHHUSA-N 1 2 306.322 0.332 10 5 DCBELO Cc1cnn(C[C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CCO2)c1 ZINC000174850925 198393027 /nfs/dbraw/zinc/39/30/27/198393027.db2.gz FVNFJFNBJNHOMQ-AWEZNQCLSA-N 1 2 320.353 0.697 10 5 DCBELO Cc1cnn(C[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CCO2)c1 ZINC000174850925 198393029 /nfs/dbraw/zinc/39/30/29/198393029.db2.gz FVNFJFNBJNHOMQ-AWEZNQCLSA-N 1 2 320.353 0.697 10 5 DCBELO C[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000180642168 199189796 /nfs/dbraw/zinc/18/97/96/199189796.db2.gz ZMHVCWFWJFDPFX-SNVBAGLBSA-N 1 2 308.338 0.628 10 5 DCBELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000284428063 131080111 /nfs/dbraw/zinc/08/01/11/131080111.db2.gz FKHLKRYKOCWVDB-UONOGXRCSA-N 1 2 321.333 0.846 10 5 DCBELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000284428063 131080113 /nfs/dbraw/zinc/08/01/13/131080113.db2.gz FKHLKRYKOCWVDB-UONOGXRCSA-N 1 2 321.333 0.846 10 5 DCBELO O=[N+]([O-])c1ccn(CC[N@@H+]2CCO[C@H](Cn3cccn3)C2)n1 ZINC000176233982 396152289 /nfs/dbraw/zinc/15/22/89/396152289.db2.gz HDOIJGWDKKFQFF-LBPRGKRZSA-N 1 2 306.326 0.389 10 5 DCBELO O=[N+]([O-])c1ccn(CC[N@H+]2CCO[C@H](Cn3cccn3)C2)n1 ZINC000176233982 396152291 /nfs/dbraw/zinc/15/22/91/396152291.db2.gz HDOIJGWDKKFQFF-LBPRGKRZSA-N 1 2 306.326 0.389 10 5 DCBELO Cc1c(CC(=O)NC[C@@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000163932261 525694375 /nfs/dbraw/zinc/69/43/75/525694375.db2.gz ZDJTVPMYWJLCNW-CYBMUJFWSA-N 1 2 307.350 0.893 10 5 DCBELO Cc1c(CC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000163932261 525694385 /nfs/dbraw/zinc/69/43/85/525694385.db2.gz ZDJTVPMYWJLCNW-CYBMUJFWSA-N 1 2 307.350 0.893 10 5 DCBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000179171139 396223197 /nfs/dbraw/zinc/22/31/97/396223197.db2.gz JQCADYKVVIXEDT-NEPJUHHUSA-N 1 2 309.322 0.269 10 5 DCBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000179171139 396223201 /nfs/dbraw/zinc/22/32/01/396223201.db2.gz JQCADYKVVIXEDT-NEPJUHHUSA-N 1 2 309.322 0.269 10 5 DCBELO C[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000173067917 287052648 /nfs/dbraw/zinc/05/26/48/287052648.db2.gz AADVKCUICMSTSV-GFCCVEGCSA-N 1 2 307.350 0.974 10 5 DCBELO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172759797 416048285 /nfs/dbraw/zinc/04/82/85/416048285.db2.gz FFRYRYGDHIMCKO-LBPRGKRZSA-N 1 2 323.353 0.115 10 5 DCBELO C[N@@H+]1CCO[C@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000170683674 416028159 /nfs/dbraw/zinc/02/81/59/416028159.db2.gz ZCFITCMEGXTQNH-LLVKDONJSA-N 1 2 308.338 0.454 10 5 DCBELO C[N@H+]1CCO[C@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000170683674 416028163 /nfs/dbraw/zinc/02/81/63/416028163.db2.gz ZCFITCMEGXTQNH-LLVKDONJSA-N 1 2 308.338 0.454 10 5 DCBELO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000408093011 283155560 /nfs/dbraw/zinc/15/55/60/283155560.db2.gz MTRPRXGHYHAHKQ-UONOGXRCSA-N 1 2 321.333 0.846 10 5 DCBELO C[N@H+]1CC[C@H]2OCCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000408093011 283155565 /nfs/dbraw/zinc/15/55/65/283155565.db2.gz MTRPRXGHYHAHKQ-UONOGXRCSA-N 1 2 321.333 0.846 10 5 DCBELO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H]1[NH+]1CCOCC1 ZINC000286071275 396372455 /nfs/dbraw/zinc/37/24/55/396372455.db2.gz LVLNBVGERFTKGQ-MWLCHTKSSA-N 1 2 309.326 0.111 10 5 DCBELO CCc1n[nH]c(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000284758028 415600484 /nfs/dbraw/zinc/60/04/84/415600484.db2.gz OMYGRIFELWXEBI-WDEREUQCSA-N 1 2 323.353 0.425 10 5 DCBELO CCc1n[nH]c(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000284758028 415600491 /nfs/dbraw/zinc/60/04/91/415600491.db2.gz OMYGRIFELWXEBI-WDEREUQCSA-N 1 2 323.353 0.425 10 5 DCBELO CCc1[nH]nc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000284758028 415600495 /nfs/dbraw/zinc/60/04/95/415600495.db2.gz OMYGRIFELWXEBI-WDEREUQCSA-N 1 2 323.353 0.425 10 5 DCBELO CCc1[nH]nc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000284758028 415600502 /nfs/dbraw/zinc/60/05/02/415600502.db2.gz OMYGRIFELWXEBI-WDEREUQCSA-N 1 2 323.353 0.425 10 5 DCBELO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000132386654 415933143 /nfs/dbraw/zinc/93/31/43/415933143.db2.gz WHVONLBIWOPGBO-LBPRGKRZSA-N 1 2 323.349 0.326 10 5 DCBELO O=[N+]([O-])c1cnc2ccc(NC[C@H]3C[NH+]4CCN3CC4)nn21 ZINC000301960136 230005654 /nfs/dbraw/zinc/00/56/54/230005654.db2.gz MDBHCZQYUJQDAZ-JTQLQIEISA-N 1 2 303.326 0.049 10 5 DCBELO CCN(CC)c1nc[nH+]c(NN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000040607981 183108293 /nfs/dbraw/zinc/10/82/93/183108293.db2.gz PXDWJPUEUJXXKF-UHFFFAOYSA-N 1 2 309.374 0.805 10 5 DCBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000183391234 396269140 /nfs/dbraw/zinc/26/91/40/396269140.db2.gz GHAOXGALTBBTAI-CYBMUJFWSA-N 1 2 318.333 0.046 10 5 DCBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000183391234 396269142 /nfs/dbraw/zinc/26/91/42/396269142.db2.gz GHAOXGALTBBTAI-CYBMUJFWSA-N 1 2 318.333 0.046 10 5 DCBELO C[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000067291625 158038870 /nfs/dbraw/zinc/03/88/70/158038870.db2.gz ZZHXJFQMWHSMDA-LBPRGKRZSA-N 1 2 322.365 0.844 10 5 DCBELO CC(=O)[C@](C)(O)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459514061 416546282 /nfs/dbraw/zinc/54/62/82/416546282.db2.gz RUVWNNIFEWMLEE-CQSZACIVSA-N 1 2 308.338 0.452 10 5 DCBELO C[C@@H]1C[N@H+](CCNc2ccc3ncc([N+](=O)[O-])n3n2)CCO1 ZINC000534311103 416499952 /nfs/dbraw/zinc/49/99/52/416499952.db2.gz QMUPPJITMHWKKA-SNVBAGLBSA-N 1 2 306.326 0.770 10 5 DCBELO C[C@@H]1C[N@@H+](CCNc2ccc3ncc([N+](=O)[O-])n3n2)CCO1 ZINC000534311103 416499956 /nfs/dbraw/zinc/49/99/56/416499956.db2.gz QMUPPJITMHWKKA-SNVBAGLBSA-N 1 2 306.326 0.770 10 5 DCBELO COc1cc(C[N@@H+]2CCNC(=O)CC2)c([N+](=O)[O-])cc1OC ZINC000093101666 277376865 /nfs/dbraw/zinc/37/68/65/277376865.db2.gz UDYPNIWXCOGQFN-UHFFFAOYSA-N 1 2 309.322 0.934 10 5 DCBELO COc1cc(C[N@H+]2CCNC(=O)CC2)c([N+](=O)[O-])cc1OC ZINC000093101666 277376866 /nfs/dbraw/zinc/37/68/66/277376866.db2.gz UDYPNIWXCOGQFN-UHFFFAOYSA-N 1 2 309.322 0.934 10 5 DCBELO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CCO1 ZINC000186578755 289201129 /nfs/dbraw/zinc/20/11/29/289201129.db2.gz XUPYGIOOMPWZKG-LLVKDONJSA-N 1 2 309.322 0.703 10 5 DCBELO C[NH+](C)C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)CCO1 ZINC000182024431 289217436 /nfs/dbraw/zinc/21/74/36/289217436.db2.gz JGVQSUJMKFKFIH-NSHDSACASA-N 1 2 309.322 0.703 10 5 DCBELO O=[N+]([O-])c1ccc(OC[C@@H](O)C[NH+]2CCOCC2)c(F)c1 ZINC000153906846 237026457 /nfs/dbraw/zinc/02/64/57/237026457.db2.gz KBGOAQZATLNVDU-NSHDSACASA-N 1 2 300.286 0.806 10 5 DCBELO C[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000122653147 395887919 /nfs/dbraw/zinc/88/79/19/395887919.db2.gz GAKJVVXZZYATBM-GXSJLCMTSA-N 1 2 309.326 0.111 10 5 DCBELO C[C@H](C[NH+]1CCN(C)CC1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000264438699 396280382 /nfs/dbraw/zinc/28/03/82/396280382.db2.gz WHYPRJZKLWVGMV-SNVBAGLBSA-N 1 2 322.369 0.137 10 5 DCBELO COc1cccc(NC[C@@H](O)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000185115008 396317317 /nfs/dbraw/zinc/31/73/17/396317317.db2.gz VAWFAGAKJFDVGM-LLVKDONJSA-N 1 2 311.338 0.708 10 5 DCBELO NC(=O)c1ccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000185147154 396319768 /nfs/dbraw/zinc/31/97/68/396319768.db2.gz WEZSVBRYLDYQJR-OAHLLOKOSA-N 1 2 321.333 0.685 10 5 DCBELO NC(=O)c1ccc(C[N@H+]2CCO[C@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000185147154 396319770 /nfs/dbraw/zinc/31/97/70/396319770.db2.gz WEZSVBRYLDYQJR-OAHLLOKOSA-N 1 2 321.333 0.685 10 5 DCBELO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000408288892 160076881 /nfs/dbraw/zinc/07/68/81/160076881.db2.gz AIPKGEUPLLGPNT-CHWSQXEVSA-N 1 2 309.297 0.889 10 5 DCBELO C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000408288892 160076883 /nfs/dbraw/zinc/07/68/83/160076883.db2.gz AIPKGEUPLLGPNT-CHWSQXEVSA-N 1 2 309.297 0.889 10 5 DCBELO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000408093012 417140163 /nfs/dbraw/zinc/14/01/63/417140163.db2.gz MTRPRXGHYHAHKQ-ZIAGYGMSSA-N 1 2 321.333 0.846 10 5 DCBELO C[N@H+]1CC[C@H]2OCCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000408093012 417140169 /nfs/dbraw/zinc/14/01/69/417140169.db2.gz MTRPRXGHYHAHKQ-ZIAGYGMSSA-N 1 2 321.333 0.846 10 5 DCBELO COc1cc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc([N+](=O)[O-])c1C ZINC000190746677 522118419 /nfs/dbraw/zinc/11/84/19/522118419.db2.gz JAHYHFUOTSQKIS-GFCCVEGCSA-N 1 2 323.349 0.972 10 5 DCBELO COc1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc([N+](=O)[O-])c1C ZINC000190746677 522118428 /nfs/dbraw/zinc/11/84/28/522118428.db2.gz JAHYHFUOTSQKIS-GFCCVEGCSA-N 1 2 323.349 0.972 10 5 DCBELO O=[N+]([O-])c1cnn(CC[N@@H+]2CCO[C@H](Cn3cccn3)C2)c1 ZINC000174850857 198392996 /nfs/dbraw/zinc/39/29/96/198392996.db2.gz KKKDIFCXNJYJJF-ZDUSSCGKSA-N 1 2 306.326 0.389 10 5 DCBELO O=[N+]([O-])c1cnn(CC[N@H+]2CCO[C@H](Cn3cccn3)C2)c1 ZINC000174850857 198392997 /nfs/dbraw/zinc/39/29/97/198392997.db2.gz KKKDIFCXNJYJJF-ZDUSSCGKSA-N 1 2 306.326 0.389 10 5 DCBELO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3C[C@@H](O)C[C@@H]3CO)n2)c1 ZINC000179174933 198994025 /nfs/dbraw/zinc/99/40/25/198994025.db2.gz OHYUPUXPQNDETL-NEPJUHHUSA-N 1 2 320.305 0.572 10 5 DCBELO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3C[C@@H](O)C[C@@H]3CO)n2)c1 ZINC000179174933 198994026 /nfs/dbraw/zinc/99/40/26/198994026.db2.gz OHYUPUXPQNDETL-NEPJUHHUSA-N 1 2 320.305 0.572 10 5 DCBELO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000123191866 296301897 /nfs/dbraw/zinc/30/18/97/296301897.db2.gz NMSQDHLSUPVFJV-LLVKDONJSA-N 1 2 323.353 0.645 10 5 DCBELO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000184410198 396294142 /nfs/dbraw/zinc/29/41/42/396294142.db2.gz BKILTKAVUNNTEW-GFCCVEGCSA-N 1 2 320.349 0.770 10 5 DCBELO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000184410198 396294145 /nfs/dbraw/zinc/29/41/45/396294145.db2.gz BKILTKAVUNNTEW-GFCCVEGCSA-N 1 2 320.349 0.770 10 5 DCBELO Cc1nnc(CN2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)[nH]1 ZINC000611431254 396867329 /nfs/dbraw/zinc/86/73/29/396867329.db2.gz FDGDNPHHFFNLMI-UHFFFAOYSA-N 1 2 320.357 0.036 10 5 DCBELO Cc1n[nH]c(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000408028465 417132913 /nfs/dbraw/zinc/13/29/13/417132913.db2.gz DTJAFGDALRBTLO-UWVGGRQHSA-N 1 2 309.326 0.171 10 5 DCBELO Cc1n[nH]c(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000408028465 417132920 /nfs/dbraw/zinc/13/29/20/417132920.db2.gz DTJAFGDALRBTLO-UWVGGRQHSA-N 1 2 309.326 0.171 10 5 DCBELO Cc1[nH]nc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000408028465 417132925 /nfs/dbraw/zinc/13/29/25/417132925.db2.gz DTJAFGDALRBTLO-UWVGGRQHSA-N 1 2 309.326 0.171 10 5 DCBELO Cc1[nH]nc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000408028465 417132932 /nfs/dbraw/zinc/13/29/32/417132932.db2.gz DTJAFGDALRBTLO-UWVGGRQHSA-N 1 2 309.326 0.171 10 5 DCBELO C[N@@H+]1CCO[C@H]2CN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000152953075 290115326 /nfs/dbraw/zinc/11/53/26/290115326.db2.gz YOJUVEFHGFHINC-RYUDHWBXSA-N 1 2 323.353 0.068 10 5 DCBELO C[N@H+]1CCO[C@H]2CN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000152953075 290115328 /nfs/dbraw/zinc/11/53/28/290115328.db2.gz YOJUVEFHGFHINC-RYUDHWBXSA-N 1 2 323.353 0.068 10 5 DCBELO C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000151913573 290119293 /nfs/dbraw/zinc/11/92/93/290119293.db2.gz OMWLWPDARKXCAC-STQMWFEESA-N 1 2 309.297 0.889 10 5 DCBELO C[N@H+]1CCO[C@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000151913573 290119295 /nfs/dbraw/zinc/11/92/95/290119295.db2.gz OMWLWPDARKXCAC-STQMWFEESA-N 1 2 309.297 0.889 10 5 DCBELO CC(=O)NC1C[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000191729741 519649569 /nfs/dbraw/zinc/64/95/69/519649569.db2.gz GUBQJJRKISDNGE-GFCCVEGCSA-N 1 2 309.322 0.155 10 5 DCBELO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1CCO ZINC000187271303 200086931 /nfs/dbraw/zinc/08/69/31/200086931.db2.gz ZHIWOAAONSFNOI-JTQLQIEISA-N 1 2 311.313 0.873 10 5 DCBELO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1CCO ZINC000187271303 200086932 /nfs/dbraw/zinc/08/69/32/200086932.db2.gz ZHIWOAAONSFNOI-JTQLQIEISA-N 1 2 311.313 0.873 10 5 DCBELO O=C(C[N@@H+]1CCNC(=O)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000042570398 395746473 /nfs/dbraw/zinc/74/64/73/395746473.db2.gz JOBQYJKYHLOBCD-UHFFFAOYSA-N 1 2 318.333 0.306 10 5 DCBELO O=C(C[N@H+]1CCNC(=O)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000042570398 395746474 /nfs/dbraw/zinc/74/64/74/395746474.db2.gz JOBQYJKYHLOBCD-UHFFFAOYSA-N 1 2 318.333 0.306 10 5 DCBELO Cc1cc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000154110420 396031135 /nfs/dbraw/zinc/03/11/35/396031135.db2.gz JIUVTTDYDAPGKR-ZDUSSCGKSA-N 1 2 323.349 0.326 10 5 DCBELO COCC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@H]1C ZINC000184671768 396301423 /nfs/dbraw/zinc/30/14/23/396301423.db2.gz ZEOKGYIGXAGVSI-SNVBAGLBSA-N 1 2 323.353 0.365 10 5 DCBELO COCC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@H]1C ZINC000184671768 396301426 /nfs/dbraw/zinc/30/14/26/396301426.db2.gz ZEOKGYIGXAGVSI-SNVBAGLBSA-N 1 2 323.353 0.365 10 5 DCBELO C[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H]1[NH+]1CCOCC1 ZINC000408052986 160024289 /nfs/dbraw/zinc/02/42/89/160024289.db2.gz NDNIJCPPQDBXPU-JQWIXIFHSA-N 1 2 323.353 0.121 10 5 DCBELO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C[C@@H]21 ZINC000124289578 277123062 /nfs/dbraw/zinc/12/30/62/277123062.db2.gz FNGUJCWBXMLHIE-NWDGAFQWSA-N 1 2 324.312 0.471 10 5 DCBELO C[N@H+]1CCO[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C[C@@H]21 ZINC000124289578 277123064 /nfs/dbraw/zinc/12/30/64/277123064.db2.gz FNGUJCWBXMLHIE-NWDGAFQWSA-N 1 2 324.312 0.471 10 5 DCBELO O=[N+]([O-])c1ccc(F)cc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000152923337 664682507 /nfs/dbraw/zinc/68/25/07/664682507.db2.gz NBUNANGYZLYXDY-NSHDSACASA-N 1 2 300.286 0.806 10 5 DCBELO O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnn(C3C[NH2+]C3)c2)cc1 ZINC000757067385 670347737 /nfs/dbraw/zinc/34/77/37/670347737.db2.gz WDWDGJDEBDTNEC-UHFFFAOYSA-N 1 2 323.334 0.736 10 5 DCBELO CN(CC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccccc1[N+](=O)[O-] ZINC000172922438 198167983 /nfs/dbraw/zinc/16/79/83/198167983.db2.gz OXVPSGBKBULQDZ-LBPRGKRZSA-N 1 2 322.365 0.478 10 5 DCBELO CN(CC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccccc1[N+](=O)[O-] ZINC000172922438 198167985 /nfs/dbraw/zinc/16/79/85/198167985.db2.gz OXVPSGBKBULQDZ-LBPRGKRZSA-N 1 2 322.365 0.478 10 5 DCBELO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178627410 416167449 /nfs/dbraw/zinc/16/74/49/416167449.db2.gz CKWSGSVICVXRHP-GFCCVEGCSA-N 1 2 305.338 0.028 10 5 DCBELO Cc1nc(N2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000548417098 288141047 /nfs/dbraw/zinc/14/10/47/288141047.db2.gz UHZXCJFBWDHDEY-UHFFFAOYSA-N 1 2 317.309 0.379 10 5 DCBELO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000408093009 160034173 /nfs/dbraw/zinc/03/41/73/160034173.db2.gz MTRPRXGHYHAHKQ-KBPBESRZSA-N 1 2 321.333 0.846 10 5 DCBELO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000408093009 160034174 /nfs/dbraw/zinc/03/41/74/160034174.db2.gz MTRPRXGHYHAHKQ-KBPBESRZSA-N 1 2 321.333 0.846 10 5 DCBELO C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000153084871 415975615 /nfs/dbraw/zinc/97/56/15/415975615.db2.gz AIPKGEUPLLGPNT-STQMWFEESA-N 1 2 309.297 0.889 10 5 DCBELO C[N@H+]1CCO[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000153084871 415975619 /nfs/dbraw/zinc/97/56/19/415975619.db2.gz AIPKGEUPLLGPNT-STQMWFEESA-N 1 2 309.297 0.889 10 5 DCBELO C[N@@H+]1CCO[C@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@H]21 ZINC000356913933 416005101 /nfs/dbraw/zinc/00/51/01/416005101.db2.gz OPKRQFYUEQBCBI-OLZOCXBDSA-N 1 2 307.306 0.455 10 5 DCBELO C[N@H+]1CCO[C@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@H]21 ZINC000356913933 416005103 /nfs/dbraw/zinc/00/51/03/416005103.db2.gz OPKRQFYUEQBCBI-OLZOCXBDSA-N 1 2 307.306 0.455 10 5 DCBELO CNc1[nH+]cnc2c1cnn2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000193755264 416319638 /nfs/dbraw/zinc/31/96/38/416319638.db2.gz HITJDXMKESTAKW-VIFPVBQESA-N 1 2 318.297 0.034 10 5 DCBELO COc1cc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)c([N+](=O)[O-])cc1F ZINC000184290080 277377569 /nfs/dbraw/zinc/37/75/69/277377569.db2.gz FVEVTQPLEDDBRU-ZJUUUORDSA-N 1 2 300.286 0.670 10 5 DCBELO COc1cc(C[N@H+]2C[C@@H](O)C[C@@H]2CO)c([N+](=O)[O-])cc1F ZINC000184290080 277377570 /nfs/dbraw/zinc/37/75/70/277377570.db2.gz FVEVTQPLEDDBRU-ZJUUUORDSA-N 1 2 300.286 0.670 10 5 DCBELO Cc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000154139734 280777619 /nfs/dbraw/zinc/77/76/19/280777619.db2.gz BAKLZTHVWHJIAV-CYBMUJFWSA-N 1 2 323.349 0.326 10 5 DCBELO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H]1[NH+]1CCOCC1 ZINC000173858689 198260911 /nfs/dbraw/zinc/26/09/11/198260911.db2.gz OIRVCLWQNJWDBR-WDEREUQCSA-N 1 2 309.322 0.981 10 5 DCBELO NC(=O)c1ccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000185147173 396319305 /nfs/dbraw/zinc/31/93/05/396319305.db2.gz WEZSVBRYLDYQJR-HNNXBMFYSA-N 1 2 321.333 0.685 10 5 DCBELO NC(=O)c1ccc(C[N@H+]2CCO[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000185147173 396319307 /nfs/dbraw/zinc/31/93/07/396319307.db2.gz WEZSVBRYLDYQJR-HNNXBMFYSA-N 1 2 321.333 0.685 10 5 DCBELO COc1cc(NC[C@H](O)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000269338563 396408069 /nfs/dbraw/zinc/40/80/69/396408069.db2.gz GHKYQLHQUXLABG-LBPRGKRZSA-N 1 2 311.338 0.708 10 5 DCBELO NC(=O)N[C@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611287534 396849834 /nfs/dbraw/zinc/84/98/34/396849834.db2.gz RDCLUYSRRIRNBQ-JTQLQIEISA-N 1 2 322.321 0.609 10 5 DCBELO NC(=O)N[C@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611287534 396849835 /nfs/dbraw/zinc/84/98/35/396849835.db2.gz RDCLUYSRRIRNBQ-JTQLQIEISA-N 1 2 322.321 0.609 10 5 DCBELO CNC(=O)C[N@@H+]1CCCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000365890565 397330199 /nfs/dbraw/zinc/33/01/99/397330199.db2.gz IVFHTDWQFJLJHJ-UHFFFAOYSA-N 1 2 307.354 0.556 10 5 DCBELO CNC(=O)C[N@H+]1CCCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000365890565 397330204 /nfs/dbraw/zinc/33/02/04/397330204.db2.gz IVFHTDWQFJLJHJ-UHFFFAOYSA-N 1 2 307.354 0.556 10 5 DCBELO Cc1n[nH]c(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000266161061 287129812 /nfs/dbraw/zinc/12/98/12/287129812.db2.gz ITKBYEMCKITHPR-MWLCHTKSSA-N 1 2 323.353 0.419 10 5 DCBELO Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000266161061 287129814 /nfs/dbraw/zinc/12/98/14/287129814.db2.gz ITKBYEMCKITHPR-MWLCHTKSSA-N 1 2 323.353 0.419 10 5 DCBELO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000153084982 415975368 /nfs/dbraw/zinc/97/53/68/415975368.db2.gz AIPKGEUPLLGPNT-QWHCGFSZSA-N 1 2 309.297 0.889 10 5 DCBELO C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000153084982 415975373 /nfs/dbraw/zinc/97/53/73/415975373.db2.gz AIPKGEUPLLGPNT-QWHCGFSZSA-N 1 2 309.297 0.889 10 5 DCBELO Cc1cc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC000121979817 280350058 /nfs/dbraw/zinc/35/00/58/280350058.db2.gz XYOXJFSHMNTQOU-AWEZNQCLSA-N 1 2 323.349 0.326 10 5 DCBELO COc1cccc(NC[C@H](O)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000185114994 396317951 /nfs/dbraw/zinc/31/79/51/396317951.db2.gz VAWFAGAKJFDVGM-NSHDSACASA-N 1 2 311.338 0.708 10 5 DCBELO Cc1n[nH]c(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000408028466 160015970 /nfs/dbraw/zinc/01/59/70/160015970.db2.gz DTJAFGDALRBTLO-VHSXEESVSA-N 1 2 309.326 0.171 10 5 DCBELO Cc1n[nH]c(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000408028466 160015971 /nfs/dbraw/zinc/01/59/71/160015971.db2.gz DTJAFGDALRBTLO-VHSXEESVSA-N 1 2 309.326 0.171 10 5 DCBELO Cc1[nH]nc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000408028466 160015973 /nfs/dbraw/zinc/01/59/73/160015973.db2.gz DTJAFGDALRBTLO-VHSXEESVSA-N 1 2 309.326 0.171 10 5 DCBELO Cc1[nH]nc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000408028466 160015975 /nfs/dbraw/zinc/01/59/75/160015975.db2.gz DTJAFGDALRBTLO-VHSXEESVSA-N 1 2 309.326 0.171 10 5 DCBELO Cc1n[nH]c(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000408231661 160064451 /nfs/dbraw/zinc/06/44/51/160064451.db2.gz JKIZSBWQKWKFAX-JTQLQIEISA-N 1 2 309.326 0.173 10 5 DCBELO Cc1[nH]nc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000408231661 160064454 /nfs/dbraw/zinc/06/44/54/160064454.db2.gz JKIZSBWQKWKFAX-JTQLQIEISA-N 1 2 309.326 0.173 10 5 DCBELO C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@H]21 ZINC000408290333 160077472 /nfs/dbraw/zinc/07/74/72/160077472.db2.gz OMWLWPDARKXCAC-OLZOCXBDSA-N 1 2 309.297 0.889 10 5 DCBELO C[N@H+]1CCO[C@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@H]21 ZINC000408290333 160077473 /nfs/dbraw/zinc/07/74/73/160077473.db2.gz OMWLWPDARKXCAC-OLZOCXBDSA-N 1 2 309.297 0.889 10 5 DCBELO C[N@@H+]1CCO[C@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000170683857 416028262 /nfs/dbraw/zinc/02/82/62/416028262.db2.gz FUCMSBMENNQIRO-GFCCVEGCSA-N 1 2 323.349 0.811 10 5 DCBELO C[N@H+]1CCO[C@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000170683857 416028265 /nfs/dbraw/zinc/02/82/65/416028265.db2.gz FUCMSBMENNQIRO-GFCCVEGCSA-N 1 2 323.349 0.811 10 5 DCBELO C[N@@H+]1CCO[C@@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000170683678 416029498 /nfs/dbraw/zinc/02/94/98/416029498.db2.gz ZCFITCMEGXTQNH-NSHDSACASA-N 1 2 308.338 0.454 10 5 DCBELO C[N@H+]1CCO[C@@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000170683678 416029502 /nfs/dbraw/zinc/02/95/02/416029502.db2.gz ZCFITCMEGXTQNH-NSHDSACASA-N 1 2 308.338 0.454 10 5 DCBELO Nc1c(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc(F)cc1[N+](=O)[O-] ZINC000178973039 416179232 /nfs/dbraw/zinc/17/92/32/416179232.db2.gz DGISYZYTDXVSNI-SNVBAGLBSA-N 1 2 323.328 0.046 10 5 DCBELO O=[N+]([O-])c1cccc(F)c1OC[C@H](O)C[NH+]1CCOCC1 ZINC000184776754 261119164 /nfs/dbraw/zinc/11/91/64/261119164.db2.gz VIYXTVLNYLGNCE-SNVBAGLBSA-N 1 2 300.286 0.806 10 5 DCBELO C[C@H](C(N)=O)[NH+]1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000302041641 289393334 /nfs/dbraw/zinc/39/33/34/289393334.db2.gz NVSXEWSRZRAQNZ-SNVBAGLBSA-N 1 2 308.338 0.083 10 5 DCBELO COc1cc(C(=O)NC[C@H]2C[N@H+](C)CCO2)cc([N+](=O)[O-])c1C ZINC000190746694 522123635 /nfs/dbraw/zinc/12/36/35/522123635.db2.gz JAHYHFUOTSQKIS-LBPRGKRZSA-N 1 2 323.349 0.972 10 5 DCBELO COc1cc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc([N+](=O)[O-])c1C ZINC000190746694 522123644 /nfs/dbraw/zinc/12/36/44/522123644.db2.gz JAHYHFUOTSQKIS-LBPRGKRZSA-N 1 2 323.349 0.972 10 5 DCBELO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cccc(O)c3[N+](=O)[O-])[C@H]2C1 ZINC000285114302 536480056 /nfs/dbraw/zinc/48/00/56/536480056.db2.gz VAEQHAWWJDETCO-WCQYABFASA-N 1 2 321.333 0.846 10 5 DCBELO C[N@H+]1CC[C@H]2OCCN(C(=O)c3cccc(O)c3[N+](=O)[O-])[C@H]2C1 ZINC000285114302 536480059 /nfs/dbraw/zinc/48/00/59/536480059.db2.gz VAEQHAWWJDETCO-WCQYABFASA-N 1 2 321.333 0.846 10 5 DCBELO CN(CC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccccc1[N+](=O)[O-] ZINC000172922428 198168444 /nfs/dbraw/zinc/16/84/44/198168444.db2.gz OXVPSGBKBULQDZ-GFCCVEGCSA-N 1 2 322.365 0.478 10 5 DCBELO CN(CC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccccc1[N+](=O)[O-] ZINC000172922428 198168445 /nfs/dbraw/zinc/16/84/45/198168445.db2.gz OXVPSGBKBULQDZ-GFCCVEGCSA-N 1 2 322.365 0.478 10 5 DCBELO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000188687585 200288214 /nfs/dbraw/zinc/28/82/14/200288214.db2.gz IZUZITAMRSWBCS-SNVBAGLBSA-N 1 2 308.338 0.437 10 5 DCBELO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000188687585 200288216 /nfs/dbraw/zinc/28/82/16/200288216.db2.gz IZUZITAMRSWBCS-SNVBAGLBSA-N 1 2 308.338 0.437 10 5 DCBELO C[N@@H+]1CCO[C@@H]2CN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000152952827 396018904 /nfs/dbraw/zinc/01/89/04/396018904.db2.gz YOJUVEFHGFHINC-NWDGAFQWSA-N 1 2 323.353 0.068 10 5 DCBELO C[N@H+]1CCO[C@@H]2CN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000152952827 396018909 /nfs/dbraw/zinc/01/89/09/396018909.db2.gz YOJUVEFHGFHINC-NWDGAFQWSA-N 1 2 323.353 0.068 10 5 DCBELO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000408023796 160014716 /nfs/dbraw/zinc/01/47/16/160014716.db2.gz VIHXDRJCPRFOEJ-KGLIPLIRSA-N 1 2 320.349 0.843 10 5 DCBELO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000408023796 160014719 /nfs/dbraw/zinc/01/47/19/160014719.db2.gz VIHXDRJCPRFOEJ-KGLIPLIRSA-N 1 2 320.349 0.843 10 5 DCBELO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000408023797 160014863 /nfs/dbraw/zinc/01/48/63/160014863.db2.gz VIHXDRJCPRFOEJ-UONOGXRCSA-N 1 2 320.349 0.843 10 5 DCBELO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000408023797 160014865 /nfs/dbraw/zinc/01/48/65/160014865.db2.gz VIHXDRJCPRFOEJ-UONOGXRCSA-N 1 2 320.349 0.843 10 5 DCBELO Cc1nn(C)c(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000408129425 160043376 /nfs/dbraw/zinc/04/33/76/160043376.db2.gz PJDCTHPPUHOKIM-NSHDSACASA-N 1 2 323.353 0.183 10 5 DCBELO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@H]1[NH+]1CCOCC1 ZINC000408231194 160064574 /nfs/dbraw/zinc/06/45/74/160064574.db2.gz GJPXTJHUKOZKJA-WCQYABFASA-N 1 2 322.365 0.726 10 5 DCBELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1csc([N+](=O)[O-])c1 ZINC000192455469 416304966 /nfs/dbraw/zinc/30/49/66/416304966.db2.gz XRQPEFKENDVPSK-JTQLQIEISA-N 1 2 315.351 0.079 10 5 DCBELO C[N@@H+]1CCO[C@@H]2CN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000152952721 290089498 /nfs/dbraw/zinc/08/94/98/290089498.db2.gz YOJUVEFHGFHINC-VXGBXAGGSA-N 1 2 323.353 0.068 10 5 DCBELO C[N@H+]1CCO[C@@H]2CN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000152952721 290089501 /nfs/dbraw/zinc/08/95/01/290089501.db2.gz YOJUVEFHGFHINC-VXGBXAGGSA-N 1 2 323.353 0.068 10 5 DCBELO O=[N+]([O-])c1ccc(F)cc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000152923265 664779419 /nfs/dbraw/zinc/77/94/19/664779419.db2.gz NBUNANGYZLYXDY-LLVKDONJSA-N 1 2 300.286 0.806 10 5 DCBELO C[NH+](C)C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)CCO1 ZINC000182024411 199375837 /nfs/dbraw/zinc/37/58/37/199375837.db2.gz JGVQSUJMKFKFIH-LLVKDONJSA-N 1 2 309.322 0.703 10 5 DCBELO C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCN1CCO ZINC000187706815 237354260 /nfs/dbraw/zinc/35/42/60/237354260.db2.gz OFNPGLVAPGFKBK-ZDUSSCGKSA-N 1 2 309.366 0.972 10 5 DCBELO C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCN1CCO ZINC000187706815 237354271 /nfs/dbraw/zinc/35/42/71/237354271.db2.gz OFNPGLVAPGFKBK-ZDUSSCGKSA-N 1 2 309.366 0.972 10 5 DCBELO C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000194733999 395805963 /nfs/dbraw/zinc/80/59/63/395805963.db2.gz IWCZHWJKNWXGFL-LLVKDONJSA-N 1 2 315.351 0.204 10 5 DCBELO C[N@H+]1CCO[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000194733999 395805965 /nfs/dbraw/zinc/80/59/65/395805965.db2.gz IWCZHWJKNWXGFL-LLVKDONJSA-N 1 2 315.351 0.204 10 5 DCBELO Cc1nnc([C@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CCO2)[nH]1 ZINC000176270440 416124303 /nfs/dbraw/zinc/12/43/03/416124303.db2.gz CCNTUPFJJKOQRL-SNVBAGLBSA-N 1 2 307.314 0.291 10 5 DCBELO Cc1nnc([C@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)CCO2)[nH]1 ZINC000176270440 416124306 /nfs/dbraw/zinc/12/43/06/416124306.db2.gz CCNTUPFJJKOQRL-SNVBAGLBSA-N 1 2 307.314 0.291 10 5 DCBELO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@@H+]1CCO ZINC000187298582 200090921 /nfs/dbraw/zinc/09/09/21/200090921.db2.gz XEZYVJSZJHDVFC-SNVBAGLBSA-N 1 2 309.322 0.439 10 5 DCBELO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@H+]1CCO ZINC000187298582 200090922 /nfs/dbraw/zinc/09/09/22/200090922.db2.gz XEZYVJSZJHDVFC-SNVBAGLBSA-N 1 2 309.322 0.439 10 5 DCBELO CCOCC[N@@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H]1C ZINC000160880952 291240088 /nfs/dbraw/zinc/24/00/88/291240088.db2.gz YDMSAWWVCMVCPJ-JTQLQIEISA-N 1 2 311.342 0.501 10 5 DCBELO CCOCC[N@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H]1C ZINC000160880952 291240091 /nfs/dbraw/zinc/24/00/91/291240091.db2.gz YDMSAWWVCMVCPJ-JTQLQIEISA-N 1 2 311.342 0.501 10 5 DCBELO CC[C@@H](CO)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000185221166 396322009 /nfs/dbraw/zinc/32/20/09/396322009.db2.gz TWNNXXXOICDHEO-NSHDSACASA-N 1 2 323.349 0.829 10 5 DCBELO Cc1n[nH]c(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000266161062 287129752 /nfs/dbraw/zinc/12/97/52/287129752.db2.gz ITKBYEMCKITHPR-ONGXEEELSA-N 1 2 323.353 0.419 10 5 DCBELO Cc1[nH]nc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000266161062 287129755 /nfs/dbraw/zinc/12/97/55/287129755.db2.gz ITKBYEMCKITHPR-ONGXEEELSA-N 1 2 323.353 0.419 10 5 DCBELO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178638024 416167539 /nfs/dbraw/zinc/16/75/39/416167539.db2.gz RWBUSPKXECSAED-ZDUSSCGKSA-N 1 2 304.350 0.633 10 5 DCBELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000286250260 290084156 /nfs/dbraw/zinc/08/41/56/290084156.db2.gz DZQGWZNMNNLVPF-QWHCGFSZSA-N 1 2 320.349 0.722 10 5 DCBELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000286250260 290084160 /nfs/dbraw/zinc/08/41/60/290084160.db2.gz DZQGWZNMNNLVPF-QWHCGFSZSA-N 1 2 320.349 0.722 10 5 DCBELO CC(=O)NC1C[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000191729292 519649274 /nfs/dbraw/zinc/64/92/74/519649274.db2.gz VTSUQWAXLIYTRY-ZDUSSCGKSA-N 1 2 309.322 0.155 10 5 DCBELO Cc1nn(CN2CC[C@@H]([NH+]3CCOCC3)C2)c(C)c1[N+](=O)[O-] ZINC000172961673 664626027 /nfs/dbraw/zinc/62/60/27/664626027.db2.gz XOLUEUNGJSVPDZ-CYBMUJFWSA-N 1 2 309.370 0.772 10 5 DCBELO C[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000180642149 199190096 /nfs/dbraw/zinc/19/00/96/199190096.db2.gz ZMHVCWFWJFDPFX-JTQLQIEISA-N 1 2 308.338 0.628 10 5 DCBELO C[N@@H+]1CCO[C@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000104785565 194039552 /nfs/dbraw/zinc/03/95/52/194039552.db2.gz SXFWLOPZRHBVRI-CYBMUJFWSA-N 1 2 308.338 0.725 10 5 DCBELO C[N@H+]1CCO[C@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000104785565 194039553 /nfs/dbraw/zinc/03/95/53/194039553.db2.gz SXFWLOPZRHBVRI-CYBMUJFWSA-N 1 2 308.338 0.725 10 5 DCBELO CNC(=O)[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000248436034 395987619 /nfs/dbraw/zinc/98/76/19/395987619.db2.gz GCIQHWGXBAUOBC-OLZOCXBDSA-N 1 2 309.322 0.075 10 5 DCBELO CNC(=O)[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000248436034 395987622 /nfs/dbraw/zinc/98/76/22/395987622.db2.gz GCIQHWGXBAUOBC-OLZOCXBDSA-N 1 2 309.322 0.075 10 5 DCBELO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000194628970 395802961 /nfs/dbraw/zinc/80/29/61/395802961.db2.gz SWQDQRLNSLBCDV-NSHDSACASA-N 1 2 309.322 0.664 10 5 DCBELO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000194628970 395802964 /nfs/dbraw/zinc/80/29/64/395802964.db2.gz SWQDQRLNSLBCDV-NSHDSACASA-N 1 2 309.322 0.664 10 5 DCBELO CCCc1n[nH]c(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC000109621077 395798082 /nfs/dbraw/zinc/79/80/82/395798082.db2.gz XEJFMBCCJNVCPW-SECBINFHSA-N 1 2 311.342 0.331 10 5 DCBELO CCCc1n[nH]c(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC000109621077 395798084 /nfs/dbraw/zinc/79/80/84/395798084.db2.gz XEJFMBCCJNVCPW-SECBINFHSA-N 1 2 311.342 0.331 10 5 DCBELO C[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](C(N)=O)O1 ZINC000246306224 395947254 /nfs/dbraw/zinc/94/72/54/395947254.db2.gz QESPYZGFLCPDHY-WQAKAFBOSA-N 1 2 309.322 0.203 10 5 DCBELO C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](C(N)=O)O1 ZINC000246306224 395947256 /nfs/dbraw/zinc/94/72/56/395947256.db2.gz QESPYZGFLCPDHY-WQAKAFBOSA-N 1 2 309.322 0.203 10 5 DCBELO O=C1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1 ZINC000054257602 158020546 /nfs/dbraw/zinc/02/05/46/158020546.db2.gz JIULRHQSDWKMTP-UHFFFAOYSA-N 1 2 317.305 0.967 10 5 DCBELO O=C1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1 ZINC000054257602 158020548 /nfs/dbraw/zinc/02/05/48/158020548.db2.gz JIULRHQSDWKMTP-UHFFFAOYSA-N 1 2 317.305 0.967 10 5 DCBELO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172746574 158398681 /nfs/dbraw/zinc/39/86/81/158398681.db2.gz GCMSSAPHLGYVHI-GFCCVEGCSA-N 1 2 323.353 0.033 10 5 DCBELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@H]21 ZINC000286250246 415628732 /nfs/dbraw/zinc/62/87/32/415628732.db2.gz DZQGWZNMNNLVPF-CHWSQXEVSA-N 1 2 320.349 0.722 10 5 DCBELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@H]21 ZINC000286250246 415628736 /nfs/dbraw/zinc/62/87/36/415628736.db2.gz DZQGWZNMNNLVPF-CHWSQXEVSA-N 1 2 320.349 0.722 10 5 DCBELO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000195337242 416326025 /nfs/dbraw/zinc/32/60/25/416326025.db2.gz ILBRFZYTCFTYME-LLVKDONJSA-N 1 2 313.358 0.225 10 5 DCBELO C[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000124574037 524434153 /nfs/dbraw/zinc/43/41/53/524434153.db2.gz NPIJZFONTGKKCK-SNVBAGLBSA-N 1 2 309.326 0.832 10 5 DCBELO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)[C@@H]2C1 ZINC000285275520 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NC(=O)N[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444660251 416858503 /nfs/dbraw/zinc/85/85/03/416858503.db2.gz JCWOUVJVPVUPCO-QMMMGPOBSA-N 1 2 304.310 0.714 10 5 DCBELO O=C([C@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000054447911 662766511 /nfs/dbraw/zinc/76/65/11/662766511.db2.gz NRNZBMRJHQLJSS-LBPRGKRZSA-N 1 2 323.353 0.320 10 5 DCBELO O=C([C@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000054447911 662766512 /nfs/dbraw/zinc/76/65/12/662766512.db2.gz NRNZBMRJHQLJSS-LBPRGKRZSA-N 1 2 323.353 0.320 10 5 DCBELO O=C1CC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CCN1 ZINC000054454053 662767678 /nfs/dbraw/zinc/76/76/78/662767678.db2.gz BPBKVCPDFSYUDJ-UHFFFAOYSA-N 1 2 316.321 0.633 10 5 DCBELO O=C1CC[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CCN1 ZINC000054454053 662767681 /nfs/dbraw/zinc/76/76/81/662767681.db2.gz BPBKVCPDFSYUDJ-UHFFFAOYSA-N 1 2 316.321 0.633 10 5 DCBELO O=[N+]([O-])c1ccc(OC[C@H](O)C[NH+]2CCOCC2)cc1F ZINC000154185381 665093967 /nfs/dbraw/zinc/09/39/67/665093967.db2.gz RYDKOWQRRCCQTG-SNVBAGLBSA-N 1 2 300.286 0.806 10 5 DCBELO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000184559116 396298746 /nfs/dbraw/zinc/29/87/46/396298746.db2.gz NEUUUVKUVRPCOH-NSHDSACASA-N 1 2 321.337 0.165 10 5 DCBELO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000184559116 396298751 /nfs/dbraw/zinc/29/87/51/396298751.db2.gz NEUUUVKUVRPCOH-NSHDSACASA-N 1 2 321.337 0.165 10 5 DCBELO CC[C@H](CO)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000185221185 396322517 /nfs/dbraw/zinc/32/25/17/396322517.db2.gz TWNNXXXOICDHEO-LLVKDONJSA-N 1 2 323.349 0.829 10 5 DCBELO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000090698548 158105071 /nfs/dbraw/zinc/10/50/71/158105071.db2.gz UKZZZCOQJKATJG-NSHDSACASA-N 1 2 324.768 0.978 10 5 DCBELO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@H]1[NH+]1CCOCC1 ZINC000408231192 160064907 /nfs/dbraw/zinc/06/49/07/160064907.db2.gz GJPXTJHUKOZKJA-DGCLKSJQSA-N 1 2 322.365 0.726 10 5 DCBELO C[C@@H]1C(=O)NCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000189294741 287180171 /nfs/dbraw/zinc/18/01/71/287180171.db2.gz GRIQEGGIPKZHCX-SECBINFHSA-N 1 2 306.322 0.404 10 5 DCBELO C[C@@H]1C(=O)NCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000189294741 287180172 /nfs/dbraw/zinc/18/01/72/287180172.db2.gz GRIQEGGIPKZHCX-SECBINFHSA-N 1 2 306.322 0.404 10 5 DCBELO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1C[NH+]2CCN1CC2 ZINC000301757390 416089993 /nfs/dbraw/zinc/08/99/93/416089993.db2.gz DYPKXCFZMONRGC-GFCCVEGCSA-N 1 2 319.365 0.366 10 5 DCBELO O=C1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCN1 ZINC000054257710 280254490 /nfs/dbraw/zinc/25/44/90/280254490.db2.gz RSYUYMWZIYXHML-UHFFFAOYSA-N 1 2 307.306 0.783 10 5 DCBELO O=C1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCN1 ZINC000054257710 280254494 /nfs/dbraw/zinc/25/44/94/280254494.db2.gz RSYUYMWZIYXHML-UHFFFAOYSA-N 1 2 307.306 0.783 10 5 DCBELO O=[N+]([O-])c1ccc(CO)cc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000302034061 534881843 /nfs/dbraw/zinc/88/18/43/534881843.db2.gz LEMLGZLSSLYHCF-ZDUSSCGKSA-N 1 2 307.350 0.998 10 5 DCBELO C[N@@H+]1CCO[C@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000194723845 395805943 /nfs/dbraw/zinc/80/59/43/395805943.db2.gz YHCORCBUEIVMKN-CYBMUJFWSA-N 1 2 309.322 0.420 10 5 DCBELO C[N@H+]1CCO[C@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000194723845 395805945 /nfs/dbraw/zinc/80/59/45/395805945.db2.gz YHCORCBUEIVMKN-CYBMUJFWSA-N 1 2 309.322 0.420 10 5 DCBELO C[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000188797686 396386241 /nfs/dbraw/zinc/38/62/41/396386241.db2.gz PCVUCAWTYBNRSR-JTQLQIEISA-N 1 2 311.313 0.873 10 5 DCBELO C[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000188797686 396386242 /nfs/dbraw/zinc/38/62/42/396386242.db2.gz PCVUCAWTYBNRSR-JTQLQIEISA-N 1 2 311.313 0.873 10 5 DCBELO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367479872 159341097 /nfs/dbraw/zinc/34/10/97/159341097.db2.gz FVPPKHXIIYFZOX-SECBINFHSA-N 1 2 321.305 0.822 10 5 DCBELO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178638014 416168039 /nfs/dbraw/zinc/16/80/39/416168039.db2.gz RWBUSPKXECSAED-CYBMUJFWSA-N 1 2 304.350 0.633 10 5 DCBELO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000180783998 416200667 /nfs/dbraw/zinc/20/06/67/416200667.db2.gz IMDWZJRSSSQCQH-LLVKDONJSA-N 1 2 320.349 0.770 10 5 DCBELO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000180783998 416200671 /nfs/dbraw/zinc/20/06/71/416200671.db2.gz IMDWZJRSSSQCQH-LLVKDONJSA-N 1 2 320.349 0.770 10 5 DCBELO C[C@H](C[NH+]1CCOCC1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000193971196 416320707 /nfs/dbraw/zinc/32/07/07/416320707.db2.gz WHSUOGOWFTZHMH-SECBINFHSA-N 1 2 309.326 0.221 10 5 DCBELO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3O)[C@H]2C1 ZINC000285834237 290167971 /nfs/dbraw/zinc/16/79/71/290167971.db2.gz POBHXXSRIFJTFP-JSGCOSHPSA-N 1 2 321.333 0.846 10 5 DCBELO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3O)[C@H]2C1 ZINC000285834237 290167974 /nfs/dbraw/zinc/16/79/74/290167974.db2.gz POBHXXSRIFJTFP-JSGCOSHPSA-N 1 2 321.333 0.846 10 5 DCBELO CN1c2ccc(Br)cc2[C@@]([NH3+])(C[N+](=O)[O-])C1=O ZINC000584610542 337372047 /nfs/dbraw/zinc/37/20/47/337372047.db2.gz FWBXYPGFYLYIGQ-JTQLQIEISA-N 1 2 300.112 0.856 10 5 DCBELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@H]21 ZINC000284428060 283027205 /nfs/dbraw/zinc/02/72/05/283027205.db2.gz FKHLKRYKOCWVDB-KGLIPLIRSA-N 1 2 321.333 0.846 10 5 DCBELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@H]21 ZINC000284428060 283027210 /nfs/dbraw/zinc/02/72/10/283027210.db2.gz FKHLKRYKOCWVDB-KGLIPLIRSA-N 1 2 321.333 0.846 10 5 DCBELO CCOCC[N@@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H]1C ZINC000160881080 291240177 /nfs/dbraw/zinc/24/01/77/291240177.db2.gz YDMSAWWVCMVCPJ-SNVBAGLBSA-N 1 2 311.342 0.501 10 5 DCBELO CCOCC[N@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H]1C ZINC000160881080 291240179 /nfs/dbraw/zinc/24/01/79/291240179.db2.gz YDMSAWWVCMVCPJ-SNVBAGLBSA-N 1 2 311.342 0.501 10 5 DCBELO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(C(=O)[C@@H](C)O)CC1 ZINC000183372843 396267889 /nfs/dbraw/zinc/26/78/89/396267889.db2.gz TXBCOVGZZJEIJM-GFCCVEGCSA-N 1 2 307.350 0.928 10 5 DCBELO C[C@]1(C(N)=O)CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000185927045 396337095 /nfs/dbraw/zinc/33/70/95/396337095.db2.gz OZEHAKSNBUOTEY-OAHLLOKOSA-N 1 2 320.349 0.924 10 5 DCBELO C[C@]1(C(N)=O)CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000185927045 396337096 /nfs/dbraw/zinc/33/70/96/396337096.db2.gz OZEHAKSNBUOTEY-OAHLLOKOSA-N 1 2 320.349 0.924 10 5 DCBELO C[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000188797659 396386708 /nfs/dbraw/zinc/38/67/08/396386708.db2.gz PCVUCAWTYBNRSR-SNVBAGLBSA-N 1 2 311.313 0.873 10 5 DCBELO C[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000188797659 396386710 /nfs/dbraw/zinc/38/67/10/396386710.db2.gz PCVUCAWTYBNRSR-SNVBAGLBSA-N 1 2 311.313 0.873 10 5 DCBELO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000408023799 160014467 /nfs/dbraw/zinc/01/44/67/160014467.db2.gz VIHXDRJCPRFOEJ-ZIAGYGMSSA-N 1 2 320.349 0.843 10 5 DCBELO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000408023799 160014469 /nfs/dbraw/zinc/01/44/69/160014469.db2.gz VIHXDRJCPRFOEJ-ZIAGYGMSSA-N 1 2 320.349 0.843 10 5 DCBELO Cc1nn(C)c(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000408129424 160043512 /nfs/dbraw/zinc/04/35/12/160043512.db2.gz PJDCTHPPUHOKIM-LLVKDONJSA-N 1 2 323.353 0.183 10 5 DCBELO C[N@@H+]1CCO[C@@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000170683859 416028212 /nfs/dbraw/zinc/02/82/12/416028212.db2.gz FUCMSBMENNQIRO-LBPRGKRZSA-N 1 2 323.349 0.811 10 5 DCBELO C[N@H+]1CCO[C@@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000170683859 416028217 /nfs/dbraw/zinc/02/82/17/416028217.db2.gz FUCMSBMENNQIRO-LBPRGKRZSA-N 1 2 323.349 0.811 10 5 DCBELO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1C[NH+]2CCN1CC2 ZINC000301757396 416090467 /nfs/dbraw/zinc/09/04/67/416090467.db2.gz DYPKXCFZMONRGC-LBPRGKRZSA-N 1 2 319.365 0.366 10 5 DCBELO Nc1c(C(=O)NC[C@H]2C[NH+]3CCN2CC3)cc(F)cc1[N+](=O)[O-] ZINC000178973054 416179333 /nfs/dbraw/zinc/17/93/33/416179333.db2.gz DGISYZYTDXVSNI-JTQLQIEISA-N 1 2 323.328 0.046 10 5 DCBELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1csc([N+](=O)[O-])c1 ZINC000192455477 416306332 /nfs/dbraw/zinc/30/63/32/416306332.db2.gz XRQPEFKENDVPSK-SNVBAGLBSA-N 1 2 315.351 0.079 10 5 DCBELO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@@H+]1CCO ZINC000187298598 200091249 /nfs/dbraw/zinc/09/12/49/200091249.db2.gz XEZYVJSZJHDVFC-JTQLQIEISA-N 1 2 309.322 0.439 10 5 DCBELO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@H+]1CCO ZINC000187298598 200091252 /nfs/dbraw/zinc/09/12/52/200091252.db2.gz XEZYVJSZJHDVFC-JTQLQIEISA-N 1 2 309.322 0.439 10 5 DCBELO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H]1[NH+]1CCOCC1 ZINC000286071269 218776515 /nfs/dbraw/zinc/77/65/15/218776515.db2.gz LVLNBVGERFTKGQ-GXSJLCMTSA-N 1 2 309.326 0.111 10 5 DCBELO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2C(F)F)cc1 ZINC000367471187 159339978 /nfs/dbraw/zinc/33/99/78/159339978.db2.gz ZHRPFVGWCKLJDU-JTQLQIEISA-N 1 2 321.305 0.822 10 5 DCBELO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H]1[NH+]1CCOCC1 ZINC000408233495 160065791 /nfs/dbraw/zinc/06/57/91/160065791.db2.gz VDRRZIPYMHSOPS-MFKMUULPSA-N 1 2 308.338 0.716 10 5 DCBELO Cc1cnn(C[C@@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CCO2)c1 ZINC000176234065 416122836 /nfs/dbraw/zinc/12/28/36/416122836.db2.gz ITBIEAAIQSVCRU-ZDUSSCGKSA-N 1 2 320.353 0.697 10 5 DCBELO Cc1cnn(C[C@@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)CCO2)c1 ZINC000176234065 416122838 /nfs/dbraw/zinc/12/28/38/416122838.db2.gz ITBIEAAIQSVCRU-ZDUSSCGKSA-N 1 2 320.353 0.697 10 5 DCBELO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000180784017 416201267 /nfs/dbraw/zinc/20/12/67/416201267.db2.gz IMDWZJRSSSQCQH-NSHDSACASA-N 1 2 320.349 0.770 10 5 DCBELO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000180784017 416201272 /nfs/dbraw/zinc/20/12/72/416201272.db2.gz IMDWZJRSSSQCQH-NSHDSACASA-N 1 2 320.349 0.770 10 5 DCBELO CCc1n[nH]c(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000284758018 536001548 /nfs/dbraw/zinc/00/15/48/536001548.db2.gz OMYGRIFELWXEBI-MNOVXSKESA-N 1 2 323.353 0.425 10 5 DCBELO CCc1n[nH]c(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000284758018 536001550 /nfs/dbraw/zinc/00/15/50/536001550.db2.gz OMYGRIFELWXEBI-MNOVXSKESA-N 1 2 323.353 0.425 10 5 DCBELO CCc1[nH]nc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000284758018 536001554 /nfs/dbraw/zinc/00/15/54/536001554.db2.gz OMYGRIFELWXEBI-MNOVXSKESA-N 1 2 323.353 0.425 10 5 DCBELO CCc1[nH]nc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000284758018 536001557 /nfs/dbraw/zinc/00/15/57/536001557.db2.gz OMYGRIFELWXEBI-MNOVXSKESA-N 1 2 323.353 0.425 10 5 DCBELO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000090698547 295672397 /nfs/dbraw/zinc/67/23/97/295672397.db2.gz UKZZZCOQJKATJG-LLVKDONJSA-N 1 2 324.768 0.978 10 5 DCBELO Cc1cc(C(=O)NC[C@H](C)[NH+]2CCOCC2)c(N)c([N+](=O)[O-])c1 ZINC000068513919 396057999 /nfs/dbraw/zinc/05/79/99/396057999.db2.gz PHTRCINSDFPUMH-NSHDSACASA-N 1 2 322.365 0.936 10 5 DCBELO O=[N+]([O-])c1ccn(CC[N@@H+]2CCO[C@@H](Cn3cccn3)C2)n1 ZINC000176233998 396152482 /nfs/dbraw/zinc/15/24/82/396152482.db2.gz HDOIJGWDKKFQFF-GFCCVEGCSA-N 1 2 306.326 0.389 10 5 DCBELO O=[N+]([O-])c1ccn(CC[N@H+]2CCO[C@@H](Cn3cccn3)C2)n1 ZINC000176233998 396152484 /nfs/dbraw/zinc/15/24/84/396152484.db2.gz HDOIJGWDKKFQFF-GFCCVEGCSA-N 1 2 306.326 0.389 10 5 DCBELO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000188786314 396386536 /nfs/dbraw/zinc/38/65/36/396386536.db2.gz FSIPKXKSPPDZTL-LLVKDONJSA-N 1 2 323.349 0.742 10 5 DCBELO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000188786314 396386540 /nfs/dbraw/zinc/38/65/40/396386540.db2.gz FSIPKXKSPPDZTL-LLVKDONJSA-N 1 2 323.349 0.742 10 5 DCBELO C[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000408038345 397344916 /nfs/dbraw/zinc/34/49/16/397344916.db2.gz KQSPTMOORVEXRQ-WDEREUQCSA-N 1 2 323.353 0.121 10 5 DCBELO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172761410 158399541 /nfs/dbraw/zinc/39/95/41/158399541.db2.gz UVCMOJNDRYNAFP-LBPRGKRZSA-N 1 2 320.349 0.845 10 5 DCBELO Cc1nnc([C@@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CCO2)[nH]1 ZINC000176270422 416123377 /nfs/dbraw/zinc/12/33/77/416123377.db2.gz CCNTUPFJJKOQRL-JTQLQIEISA-N 1 2 307.314 0.291 10 5 DCBELO Cc1nnc([C@@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)CCO2)[nH]1 ZINC000176270422 416123380 /nfs/dbraw/zinc/12/33/80/416123380.db2.gz CCNTUPFJJKOQRL-JTQLQIEISA-N 1 2 307.314 0.291 10 5 DCBELO O=C1CC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CCN1 ZINC000042093374 669826127 /nfs/dbraw/zinc/82/61/27/669826127.db2.gz GWMZXEVVSJTESW-UHFFFAOYSA-N 1 2 316.321 0.633 10 5 DCBELO O=C1CC[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CCN1 ZINC000042093374 669826131 /nfs/dbraw/zinc/82/61/31/669826131.db2.gz GWMZXEVVSJTESW-UHFFFAOYSA-N 1 2 316.321 0.633 10 5 DCBELO C[N@@H+]1CCO[C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000194634204 395802477 /nfs/dbraw/zinc/80/24/77/395802477.db2.gz VDUDNTBWHVARIV-NSHDSACASA-N 1 2 309.322 0.420 10 5 DCBELO C[N@H+]1CCO[C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000194634204 395802480 /nfs/dbraw/zinc/80/24/80/395802480.db2.gz VDUDNTBWHVARIV-NSHDSACASA-N 1 2 309.322 0.420 10 5 DCBELO C[N@@H+]1CCO[C@@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000104792686 415628063 /nfs/dbraw/zinc/62/80/63/415628063.db2.gz NOGQUZXTIZMCFY-ZDUSSCGKSA-N 1 2 308.338 0.725 10 5 DCBELO C[N@H+]1CCO[C@@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000104792686 415628066 /nfs/dbraw/zinc/62/80/66/415628066.db2.gz NOGQUZXTIZMCFY-ZDUSSCGKSA-N 1 2 308.338 0.725 10 5 DCBELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000154103979 415989891 /nfs/dbraw/zinc/98/98/91/415989891.db2.gz DRGRCZFGBWUVPE-CYBMUJFWSA-N 1 2 309.322 0.018 10 5 DCBELO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@H]21 ZINC000356913932 416005215 /nfs/dbraw/zinc/00/52/15/416005215.db2.gz OPKRQFYUEQBCBI-CHWSQXEVSA-N 1 2 307.306 0.455 10 5 DCBELO C[N@H+]1CCO[C@@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@H]21 ZINC000356913932 416005217 /nfs/dbraw/zinc/00/52/17/416005217.db2.gz OPKRQFYUEQBCBI-CHWSQXEVSA-N 1 2 307.306 0.455 10 5 DCBELO Nc1c(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cccc1[N+](=O)[O-] ZINC000176705186 416132428 /nfs/dbraw/zinc/13/24/28/416132428.db2.gz ZXHZXEXMROBPSQ-NSHDSACASA-N 1 2 320.349 0.770 10 5 DCBELO Nc1c(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cccc1[N+](=O)[O-] ZINC000176705186 416132434 /nfs/dbraw/zinc/13/24/34/416132434.db2.gz ZXHZXEXMROBPSQ-NSHDSACASA-N 1 2 320.349 0.770 10 5 DCBELO CNc1[nH+]cnc2c1cnn2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000193755248 416320092 /nfs/dbraw/zinc/32/00/92/416320092.db2.gz HITJDXMKESTAKW-SECBINFHSA-N 1 2 318.297 0.034 10 5 DCBELO COc1cc(C[N@@H+]2CC[C@@H](NC(N)=O)C2)c([N+](=O)[O-])cc1F ZINC000362325073 262022581 /nfs/dbraw/zinc/02/25/81/262022581.db2.gz MWZDUBHGNSLPMI-SECBINFHSA-N 1 2 312.301 0.985 10 5 DCBELO COc1cc(C[N@H+]2CC[C@@H](NC(N)=O)C2)c([N+](=O)[O-])cc1F ZINC000362325073 262022583 /nfs/dbraw/zinc/02/25/83/262022583.db2.gz MWZDUBHGNSLPMI-SECBINFHSA-N 1 2 312.301 0.985 10 5 DCBELO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000132386842 301849902 /nfs/dbraw/zinc/84/99/02/301849902.db2.gz WHVONLBIWOPGBO-GFCCVEGCSA-N 1 2 323.349 0.326 10 5 DCBELO O=[N+]([O-])c1cc(F)ccc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000153893614 237025083 /nfs/dbraw/zinc/02/50/83/237025083.db2.gz PROYQANVSGWQIE-NSHDSACASA-N 1 2 300.286 0.806 10 5 DCBELO C[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C(N)=O)O1 ZINC000246306202 395947012 /nfs/dbraw/zinc/94/70/12/395947012.db2.gz QESPYZGFLCPDHY-OASPWFOLSA-N 1 2 309.322 0.203 10 5 DCBELO C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C(N)=O)O1 ZINC000246306202 395947015 /nfs/dbraw/zinc/94/70/15/395947015.db2.gz QESPYZGFLCPDHY-OASPWFOLSA-N 1 2 309.322 0.203 10 5 DCBELO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185193076 396321276 /nfs/dbraw/zinc/32/12/76/396321276.db2.gz YYCMXNXMSNAWCF-CQSZACIVSA-N 1 2 309.322 0.248 10 5 DCBELO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185193076 396321277 /nfs/dbraw/zinc/32/12/77/396321277.db2.gz YYCMXNXMSNAWCF-CQSZACIVSA-N 1 2 309.322 0.248 10 5 DCBELO CN(C)c1[nH+]cccc1N(C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000176784460 529814610 /nfs/dbraw/zinc/81/46/10/529814610.db2.gz FFUMOEUUXKTICW-UHFFFAOYSA-N 1 2 304.310 0.915 10 5 DCBELO O=C1NC[C@H]2C[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CCN12 ZINC000246272913 395946016 /nfs/dbraw/zinc/94/60/16/395946016.db2.gz MOAAUIIEQLGWOI-STQMWFEESA-N 1 2 306.322 0.338 10 5 DCBELO O=C1NC[C@H]2C[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CCN12 ZINC000246272913 395946017 /nfs/dbraw/zinc/94/60/17/395946017.db2.gz MOAAUIIEQLGWOI-STQMWFEESA-N 1 2 306.322 0.338 10 5 DCBELO Cc1ccc(Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c(C)[nH+]1 ZINC000186575688 158531623 /nfs/dbraw/zinc/53/16/23/158531623.db2.gz CNFHDPKAAHPIKU-UHFFFAOYSA-N 1 2 302.290 0.916 10 5 DCBELO Cn1c(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000408021466 160013774 /nfs/dbraw/zinc/01/37/74/160013774.db2.gz IDDQHSUVEQURAH-NEPJUHHUSA-N 1 2 308.338 0.478 10 5 DCBELO Cn1c(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000408021466 160013776 /nfs/dbraw/zinc/01/37/76/160013776.db2.gz IDDQHSUVEQURAH-NEPJUHHUSA-N 1 2 308.338 0.478 10 5 DCBELO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000408093010 160034154 /nfs/dbraw/zinc/03/41/54/160034154.db2.gz MTRPRXGHYHAHKQ-KGLIPLIRSA-N 1 2 321.333 0.846 10 5 DCBELO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000408093010 160034155 /nfs/dbraw/zinc/03/41/55/160034155.db2.gz MTRPRXGHYHAHKQ-KGLIPLIRSA-N 1 2 321.333 0.846 10 5 DCBELO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178621761 416166567 /nfs/dbraw/zinc/16/65/67/416166567.db2.gz PCKKJEMAIMCEBI-RGDDUWESSA-N 1 2 316.361 0.724 10 5 DCBELO C[N@@H+]1CCO[C@@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000104791399 194039963 /nfs/dbraw/zinc/03/99/63/194039963.db2.gz JUAFFHRYIIYSHL-AWEZNQCLSA-N 1 2 322.365 0.767 10 5 DCBELO C[N@H+]1CCO[C@@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000104791399 194039965 /nfs/dbraw/zinc/03/99/65/194039965.db2.gz JUAFFHRYIIYSHL-AWEZNQCLSA-N 1 2 322.365 0.767 10 5 DCBELO O=C1NC[C@H]2C[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCN12 ZINC000246272904 395946163 /nfs/dbraw/zinc/94/61/63/395946163.db2.gz MOAAUIIEQLGWOI-QWHCGFSZSA-N 1 2 306.322 0.338 10 5 DCBELO O=C1NC[C@H]2C[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCN12 ZINC000246272904 395946168 /nfs/dbraw/zinc/94/61/68/395946168.db2.gz MOAAUIIEQLGWOI-QWHCGFSZSA-N 1 2 306.322 0.338 10 5 DCBELO Cc1c(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000154116088 396031153 /nfs/dbraw/zinc/03/11/53/396031153.db2.gz WJUXLLHVBBHDLB-GFCCVEGCSA-N 1 2 323.349 0.326 10 5 DCBELO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)[NH+]1CCOCC1 ZINC000178163215 396190376 /nfs/dbraw/zinc/19/03/76/396190376.db2.gz BUJCAPHFPMFDEY-JTQLQIEISA-N 1 2 308.338 0.628 10 5 DCBELO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000114856790 158157118 /nfs/dbraw/zinc/15/71/18/158157118.db2.gz JUVNNXOSSJLORU-GFCCVEGCSA-N 1 2 323.353 0.079 10 5 DCBELO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000114856790 158157123 /nfs/dbraw/zinc/15/71/23/158157123.db2.gz JUVNNXOSSJLORU-GFCCVEGCSA-N 1 2 323.353 0.079 10 5 DCBELO C[C@@H](C(N)=O)[NH+]1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000302041639 286788648 /nfs/dbraw/zinc/78/86/48/286788648.db2.gz NVSXEWSRZRAQNZ-JTQLQIEISA-N 1 2 308.338 0.083 10 5 DCBELO Cc1n[nH]c(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000408231663 160064986 /nfs/dbraw/zinc/06/49/86/160064986.db2.gz JKIZSBWQKWKFAX-SNVBAGLBSA-N 1 2 309.326 0.173 10 5 DCBELO Cc1[nH]nc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000408231663 160064988 /nfs/dbraw/zinc/06/49/88/160064988.db2.gz JKIZSBWQKWKFAX-SNVBAGLBSA-N 1 2 309.326 0.173 10 5 DCBELO C[N@@H+]1CCO[C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C[C@H]21 ZINC000408296639 160079212 /nfs/dbraw/zinc/07/92/12/160079212.db2.gz FNGUJCWBXMLHIE-NEPJUHHUSA-N 1 2 324.312 0.471 10 5 DCBELO C[N@H+]1CCO[C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C[C@H]21 ZINC000408296639 160079214 /nfs/dbraw/zinc/07/92/14/160079214.db2.gz FNGUJCWBXMLHIE-NEPJUHHUSA-N 1 2 324.312 0.471 10 5 DCBELO Nc1c(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000176919785 416137550 /nfs/dbraw/zinc/13/75/50/416137550.db2.gz ATZOLDKSMNZVTC-LLVKDONJSA-N 1 2 320.349 0.724 10 5 DCBELO Cc1cccc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000154129610 301955887 /nfs/dbraw/zinc/95/58/87/301955887.db2.gz PLLIEXDGCPJIPH-LBPRGKRZSA-N 1 2 323.349 0.326 10 5 DCBELO C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000074773786 191356906 /nfs/dbraw/zinc/35/69/06/191356906.db2.gz XLKDXILUOAUWJQ-NSHDSACASA-N 1 2 315.351 0.204 10 5 DCBELO C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000074773786 191356907 /nfs/dbraw/zinc/35/69/07/191356907.db2.gz XLKDXILUOAUWJQ-NSHDSACASA-N 1 2 315.351 0.204 10 5 DCBELO COc1ccc(C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000194725791 395805830 /nfs/dbraw/zinc/80/58/30/395805830.db2.gz XYOKUUANYLQWNR-NSHDSACASA-N 1 2 309.322 0.664 10 5 DCBELO COc1ccc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000194725791 395805833 /nfs/dbraw/zinc/80/58/33/395805833.db2.gz XYOKUUANYLQWNR-NSHDSACASA-N 1 2 309.322 0.664 10 5 DCBELO C[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000122652920 395887938 /nfs/dbraw/zinc/88/79/38/395887938.db2.gz GAKJVVXZZYATBM-MWLCHTKSSA-N 1 2 309.326 0.111 10 5 DCBELO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000090698708 158105449 /nfs/dbraw/zinc/10/54/49/158105449.db2.gz WPJXGIPPVYMTJY-VFQAQYNWSA-N 1 2 316.361 0.724 10 5 DCBELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000154103410 415988697 /nfs/dbraw/zinc/98/86/97/415988697.db2.gz UYSZCNYTTNZONR-NSHDSACASA-N 1 2 309.322 0.018 10 5 DCBELO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)[NH+]1CCOCC1 ZINC000180524197 416197070 /nfs/dbraw/zinc/19/70/70/416197070.db2.gz XNOCSFDLVOVIAU-SECBINFHSA-N 1 2 309.326 0.023 10 5 DCBELO O=[N+]([O-])c1cnn(CC[N@@H+]2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000174850865 198393576 /nfs/dbraw/zinc/39/35/76/198393576.db2.gz KKKDIFCXNJYJJF-CYBMUJFWSA-N 1 2 306.326 0.389 10 5 DCBELO O=[N+]([O-])c1cnn(CC[N@H+]2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000174850865 198393578 /nfs/dbraw/zinc/39/35/78/198393578.db2.gz KKKDIFCXNJYJJF-CYBMUJFWSA-N 1 2 306.326 0.389 10 5 DCBELO C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000194734015 395805733 /nfs/dbraw/zinc/80/57/33/395805733.db2.gz IWCZHWJKNWXGFL-NSHDSACASA-N 1 2 315.351 0.204 10 5 DCBELO C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000194734015 395805737 /nfs/dbraw/zinc/80/57/37/395805737.db2.gz IWCZHWJKNWXGFL-NSHDSACASA-N 1 2 315.351 0.204 10 5 DCBELO CN(C)c1[nH+]cccc1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000065780278 158035194 /nfs/dbraw/zinc/03/51/94/158035194.db2.gz WVWVWLMZYVAGSR-UHFFFAOYSA-N 1 2 318.337 0.959 10 5 DCBELO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCn3cc[nH+]c3C2)c1 ZINC000074785439 158059637 /nfs/dbraw/zinc/05/96/37/158059637.db2.gz QCSRRNBFVXFUEB-UHFFFAOYSA-N 1 2 308.319 0.996 10 5 DCBELO O=C(NCc1cccnc1-n1cc[nH+]c1)c1[nH]ncc1[N+](=O)[O-] ZINC000135004992 158332426 /nfs/dbraw/zinc/33/24/26/158332426.db2.gz BENQISBPWVBSTG-UHFFFAOYSA-N 1 2 313.277 0.829 10 5 DCBELO Cn1c(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000408021468 160014067 /nfs/dbraw/zinc/01/40/67/160014067.db2.gz IDDQHSUVEQURAH-RYUDHWBXSA-N 1 2 308.338 0.478 10 5 DCBELO Cn1c(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000408021468 160014069 /nfs/dbraw/zinc/01/40/69/160014069.db2.gz IDDQHSUVEQURAH-RYUDHWBXSA-N 1 2 308.338 0.478 10 5 DCBELO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000129600944 415910601 /nfs/dbraw/zinc/91/06/01/415910601.db2.gz JSRMMYKREMAORS-UHFFFAOYSA-N 1 2 318.333 0.840 10 5 DCBELO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178968549 416179752 /nfs/dbraw/zinc/17/97/52/416179752.db2.gz YYGMZUNRIUYICA-GFCCVEGCSA-N 1 2 319.365 0.123 10 5 DCBELO COc1cccc(C(=O)NC[C@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC000192467663 416306321 /nfs/dbraw/zinc/30/63/21/416306321.db2.gz HUOYEBZVHQPQCG-JTQLQIEISA-N 1 2 309.322 0.664 10 5 DCBELO COc1cccc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC000192467663 416306325 /nfs/dbraw/zinc/30/63/25/416306325.db2.gz HUOYEBZVHQPQCG-JTQLQIEISA-N 1 2 309.322 0.664 10 5 DCBELO Cn1c[nH+]c(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000170270465 252593811 /nfs/dbraw/zinc/59/38/11/252593811.db2.gz KAOZSENZEKNECO-UHFFFAOYSA-N 1 2 310.335 0.849 10 5 DCBELO Cn1c(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000408021467 160013586 /nfs/dbraw/zinc/01/35/86/160013586.db2.gz IDDQHSUVEQURAH-NWDGAFQWSA-N 1 2 308.338 0.478 10 5 DCBELO Cn1c(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000408021467 160013588 /nfs/dbraw/zinc/01/35/88/160013588.db2.gz IDDQHSUVEQURAH-NWDGAFQWSA-N 1 2 308.338 0.478 10 5 DCBELO Cc1cnn(C[C@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CCO2)c1 ZINC000176234079 416122735 /nfs/dbraw/zinc/12/27/35/416122735.db2.gz ITBIEAAIQSVCRU-CYBMUJFWSA-N 1 2 320.353 0.697 10 5 DCBELO Cc1cnn(C[C@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)CCO2)c1 ZINC000176234079 416122736 /nfs/dbraw/zinc/12/27/36/416122736.db2.gz ITBIEAAIQSVCRU-CYBMUJFWSA-N 1 2 320.353 0.697 10 5 DCBELO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)[NH+]1CCOCC1 ZINC000180524180 416197946 /nfs/dbraw/zinc/19/79/46/416197946.db2.gz XNOCSFDLVOVIAU-VIFPVBQESA-N 1 2 309.326 0.023 10 5 DCBELO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000189344560 524021615 /nfs/dbraw/zinc/02/16/15/524021615.db2.gz RINJATWLLRWQTI-NWDGAFQWSA-N 1 2 322.325 0.945 10 5 DCBELO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000189344560 524021619 /nfs/dbraw/zinc/02/16/19/524021619.db2.gz RINJATWLLRWQTI-NWDGAFQWSA-N 1 2 322.325 0.945 10 5 DCBELO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000189342987 524022083 /nfs/dbraw/zinc/02/20/83/524022083.db2.gz GWPXPNQIPAGOTN-WDEREUQCSA-N 1 2 322.325 0.945 10 5 DCBELO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000189342987 524022086 /nfs/dbraw/zinc/02/20/86/524022086.db2.gz GWPXPNQIPAGOTN-WDEREUQCSA-N 1 2 322.325 0.945 10 5 DCBELO O=[N+]([O-])c1ccc(CO)cc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000302034060 534881666 /nfs/dbraw/zinc/88/16/66/534881666.db2.gz LEMLGZLSSLYHCF-CYBMUJFWSA-N 1 2 307.350 0.998 10 5 DCBELO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H]1[NH+]1CCOCC1 ZINC000173858676 198261522 /nfs/dbraw/zinc/26/15/22/198261522.db2.gz OIRVCLWQNJWDBR-GHMZBOCLSA-N 1 2 309.322 0.981 10 5 DCBELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000284428056 131080302 /nfs/dbraw/zinc/08/03/02/131080302.db2.gz FKHLKRYKOCWVDB-KBPBESRZSA-N 1 2 321.333 0.846 10 5 DCBELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000284428056 131080304 /nfs/dbraw/zinc/08/03/04/131080304.db2.gz FKHLKRYKOCWVDB-KBPBESRZSA-N 1 2 321.333 0.846 10 5 DCBELO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000184410215 396294254 /nfs/dbraw/zinc/29/42/54/396294254.db2.gz BKILTKAVUNNTEW-LBPRGKRZSA-N 1 2 320.349 0.770 10 5 DCBELO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000184410215 396294258 /nfs/dbraw/zinc/29/42/58/396294258.db2.gz BKILTKAVUNNTEW-LBPRGKRZSA-N 1 2 320.349 0.770 10 5 DCBELO COc1cc(NC[C@@H](O)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000269338561 396408452 /nfs/dbraw/zinc/40/84/52/396408452.db2.gz GHKYQLHQUXLABG-GFCCVEGCSA-N 1 2 311.338 0.708 10 5 DCBELO C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@H]1[NH+]1CCOCC1 ZINC000408052988 160024312 /nfs/dbraw/zinc/02/43/12/160024312.db2.gz NDNIJCPPQDBXPU-ZYHUDNBSSA-N 1 2 323.353 0.121 10 5 DCBELO C[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000173067911 287052658 /nfs/dbraw/zinc/05/26/58/287052658.db2.gz AADVKCUICMSTSV-LBPRGKRZSA-N 1 2 307.350 0.974 10 5 DCBELO COC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246715322 287086934 /nfs/dbraw/zinc/08/69/34/287086934.db2.gz KVNFPYFOGXMQFG-NEPJUHHUSA-N 1 2 312.326 0.180 10 5 DCBELO COC(=O)[C@@H]1CCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246715322 287086936 /nfs/dbraw/zinc/08/69/36/287086936.db2.gz KVNFPYFOGXMQFG-NEPJUHHUSA-N 1 2 312.326 0.180 10 5 DCBELO Cc1nn(CN2CC[C@H]([NH+]3CCOCC3)C2)c(C)c1[N+](=O)[O-] ZINC000172961667 664625996 /nfs/dbraw/zinc/62/59/96/664625996.db2.gz XOLUEUNGJSVPDZ-ZDUSSCGKSA-N 1 2 309.370 0.772 10 5 DCBELO Nc1ccc(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000115164689 220443426 /nfs/dbraw/zinc/44/34/26/220443426.db2.gz VHUYLJQENGTEIH-GFCCVEGCSA-N 1 2 320.349 0.770 10 5 DCBELO Nc1ccc(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000115164689 220443432 /nfs/dbraw/zinc/44/34/32/220443432.db2.gz VHUYLJQENGTEIH-GFCCVEGCSA-N 1 2 320.349 0.770 10 5 DCBELO C[N@@H+]1CCO[C@@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000108945672 395795109 /nfs/dbraw/zinc/79/51/09/395795109.db2.gz GESKBBJZLLNBJC-VIFPVBQESA-N 1 2 319.321 0.574 10 5 DCBELO C[N@H+]1CCO[C@@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000108945672 395795112 /nfs/dbraw/zinc/79/51/12/395795112.db2.gz GESKBBJZLLNBJC-VIFPVBQESA-N 1 2 319.321 0.574 10 5 DCBELO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000184559096 396298378 /nfs/dbraw/zinc/29/83/78/396298378.db2.gz NEUUUVKUVRPCOH-LLVKDONJSA-N 1 2 321.337 0.165 10 5 DCBELO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000184559096 396298380 /nfs/dbraw/zinc/29/83/80/396298380.db2.gz NEUUUVKUVRPCOH-LLVKDONJSA-N 1 2 321.337 0.165 10 5 DCBELO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H]1[NH+]1CCOCC1 ZINC000408231190 160065039 /nfs/dbraw/zinc/06/50/39/160065039.db2.gz GJPXTJHUKOZKJA-AAEUAGOBSA-N 1 2 322.365 0.726 10 5 DCBELO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3O)[C@@H]2C1 ZINC000285834241 290167837 /nfs/dbraw/zinc/16/78/37/290167837.db2.gz POBHXXSRIFJTFP-OCCSQVGLSA-N 1 2 321.333 0.846 10 5 DCBELO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3O)[C@@H]2C1 ZINC000285834241 290167840 /nfs/dbraw/zinc/16/78/40/290167840.db2.gz POBHXXSRIFJTFP-OCCSQVGLSA-N 1 2 321.333 0.846 10 5 DCBELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000154103862 396031652 /nfs/dbraw/zinc/03/16/52/396031652.db2.gz DRGRCZFGBWUVPE-ZDUSSCGKSA-N 1 2 309.322 0.018 10 5 DCBELO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3C[C@@H](O)C[C@@H]3CO)n2)cc1 ZINC000179172954 396222961 /nfs/dbraw/zinc/22/29/61/396222961.db2.gz GIUMLKHABZQZAD-NEPJUHHUSA-N 1 2 320.305 0.572 10 5 DCBELO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3C[C@@H](O)C[C@@H]3CO)n2)cc1 ZINC000179172954 396222964 /nfs/dbraw/zinc/22/29/64/396222964.db2.gz GIUMLKHABZQZAD-NEPJUHHUSA-N 1 2 320.305 0.572 10 5 DCBELO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000408023794 160015069 /nfs/dbraw/zinc/01/50/69/160015069.db2.gz VIHXDRJCPRFOEJ-KBPBESRZSA-N 1 2 320.349 0.843 10 5 DCBELO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000408023794 160015070 /nfs/dbraw/zinc/01/50/70/160015070.db2.gz VIHXDRJCPRFOEJ-KBPBESRZSA-N 1 2 320.349 0.843 10 5 DCBELO Cc1n[nH]c(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000408028468 160015550 /nfs/dbraw/zinc/01/55/50/160015550.db2.gz DTJAFGDALRBTLO-ZJUUUORDSA-N 1 2 309.326 0.171 10 5 DCBELO Cc1n[nH]c(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000408028468 160015552 /nfs/dbraw/zinc/01/55/52/160015552.db2.gz DTJAFGDALRBTLO-ZJUUUORDSA-N 1 2 309.326 0.171 10 5 DCBELO Cc1[nH]nc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000408028468 160015554 /nfs/dbraw/zinc/01/55/54/160015554.db2.gz DTJAFGDALRBTLO-ZJUUUORDSA-N 1 2 309.326 0.171 10 5 DCBELO Cc1[nH]nc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000408028468 160015555 /nfs/dbraw/zinc/01/55/55/160015555.db2.gz DTJAFGDALRBTLO-ZJUUUORDSA-N 1 2 309.326 0.171 10 5 DCBELO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H]1[NH+]1CCOCC1 ZINC000286071278 279813694 /nfs/dbraw/zinc/81/36/94/279813694.db2.gz LVLNBVGERFTKGQ-ONGXEEELSA-N 1 2 309.326 0.111 10 5 DCBELO Cc1cc(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000154110531 280349759 /nfs/dbraw/zinc/34/97/59/280349759.db2.gz JIUVTTDYDAPGKR-CYBMUJFWSA-N 1 2 323.349 0.326 10 5 DCBELO C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCN1CCO ZINC000187709613 237356716 /nfs/dbraw/zinc/35/67/16/237356716.db2.gz HTUUIRCMCDTBIO-ZDUSSCGKSA-N 1 2 309.366 0.972 10 5 DCBELO C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCN1CCO ZINC000187709613 237356723 /nfs/dbraw/zinc/35/67/23/237356723.db2.gz HTUUIRCMCDTBIO-ZDUSSCGKSA-N 1 2 309.366 0.972 10 5 DCBELO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000171286178 396112345 /nfs/dbraw/zinc/11/23/45/396112345.db2.gz VYFFNSWTXJZMHC-LLVKDONJSA-N 1 2 309.322 0.664 10 5 DCBELO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000171286178 396112348 /nfs/dbraw/zinc/11/23/48/396112348.db2.gz VYFFNSWTXJZMHC-LLVKDONJSA-N 1 2 309.322 0.664 10 5 DCBELO Cn1c(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000408021469 160014041 /nfs/dbraw/zinc/01/40/41/160014041.db2.gz IDDQHSUVEQURAH-VXGBXAGGSA-N 1 2 308.338 0.478 10 5 DCBELO Cn1c(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000408021469 160014044 /nfs/dbraw/zinc/01/40/44/160014044.db2.gz IDDQHSUVEQURAH-VXGBXAGGSA-N 1 2 308.338 0.478 10 5 DCBELO Cc1n[nH]c(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000408028462 160015625 /nfs/dbraw/zinc/01/56/25/160015625.db2.gz DTJAFGDALRBTLO-NXEZZACHSA-N 1 2 309.326 0.171 10 5 DCBELO Cc1n[nH]c(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000408028462 160015627 /nfs/dbraw/zinc/01/56/27/160015627.db2.gz DTJAFGDALRBTLO-NXEZZACHSA-N 1 2 309.326 0.171 10 5 DCBELO Cc1[nH]nc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000408028462 160015629 /nfs/dbraw/zinc/01/56/29/160015629.db2.gz DTJAFGDALRBTLO-NXEZZACHSA-N 1 2 309.326 0.171 10 5 DCBELO Cc1[nH]nc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000408028462 160015631 /nfs/dbraw/zinc/01/56/31/160015631.db2.gz DTJAFGDALRBTLO-NXEZZACHSA-N 1 2 309.326 0.171 10 5 DCBELO O=C(Nc1ccncc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000183567820 416245138 /nfs/dbraw/zinc/24/51/38/416245138.db2.gz HQSMGXNYRTXSDJ-NSHDSACASA-N 1 2 321.337 0.928 10 5 DCBELO NC(=O)N[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444660249 416857995 /nfs/dbraw/zinc/85/79/95/416857995.db2.gz JCWOUVJVPVUPCO-MRVPVSSYSA-N 1 2 304.310 0.714 10 5 DCBELO NC(=O)N[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444660249 416858002 /nfs/dbraw/zinc/85/80/02/416858002.db2.gz JCWOUVJVPVUPCO-MRVPVSSYSA-N 1 2 304.310 0.714 10 5 DCBELO COc1cc(C[N@@H+]2CC[C@H](NC(N)=O)C2)c([N+](=O)[O-])cc1F ZINC000362325074 262022974 /nfs/dbraw/zinc/02/29/74/262022974.db2.gz MWZDUBHGNSLPMI-VIFPVBQESA-N 1 2 312.301 0.985 10 5 DCBELO COc1cc(C[N@H+]2CC[C@H](NC(N)=O)C2)c([N+](=O)[O-])cc1F ZINC000362325074 262022976 /nfs/dbraw/zinc/02/29/76/262022976.db2.gz MWZDUBHGNSLPMI-VIFPVBQESA-N 1 2 312.301 0.985 10 5 DCBELO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3O)[C@H]2C1 ZINC000285834234 290235708 /nfs/dbraw/zinc/23/57/08/290235708.db2.gz POBHXXSRIFJTFP-GXTWGEPZSA-N 1 2 321.333 0.846 10 5 DCBELO C[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3O)[C@H]2C1 ZINC000285834234 290235711 /nfs/dbraw/zinc/23/57/11/290235711.db2.gz POBHXXSRIFJTFP-GXTWGEPZSA-N 1 2 321.333 0.846 10 5 DCBELO NC(=O)c1ccc(N2CC[C@@H]([NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000173976908 295182313 /nfs/dbraw/zinc/18/23/13/295182313.db2.gz DTCRNRZHHPPFTG-GFCCVEGCSA-N 1 2 320.349 0.605 10 5 DCBELO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cccc(O)c3[N+](=O)[O-])[C@@H]2C1 ZINC000285114299 536480003 /nfs/dbraw/zinc/48/00/03/536480003.db2.gz VAEQHAWWJDETCO-DGCLKSJQSA-N 1 2 321.333 0.846 10 5 DCBELO C[N@H+]1CC[C@H]2OCCN(C(=O)c3cccc(O)c3[N+](=O)[O-])[C@@H]2C1 ZINC000285114299 536480005 /nfs/dbraw/zinc/48/00/05/536480005.db2.gz VAEQHAWWJDETCO-DGCLKSJQSA-N 1 2 321.333 0.846 10 5 DCBELO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000151913635 395996775 /nfs/dbraw/zinc/99/67/75/395996775.db2.gz OMWLWPDARKXCAC-QWHCGFSZSA-N 1 2 309.297 0.889 10 5 DCBELO C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000151913635 395996779 /nfs/dbraw/zinc/99/67/79/395996779.db2.gz OMWLWPDARKXCAC-QWHCGFSZSA-N 1 2 309.297 0.889 10 5 DCBELO Cc1ccc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000154139634 415988762 /nfs/dbraw/zinc/98/87/62/415988762.db2.gz BAKLZTHVWHJIAV-ZDUSSCGKSA-N 1 2 323.349 0.326 10 5 DCBELO C[N@@H+]1CCO[C@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000356913935 416005711 /nfs/dbraw/zinc/00/57/11/416005711.db2.gz OPKRQFYUEQBCBI-STQMWFEESA-N 1 2 307.306 0.455 10 5 DCBELO C[N@H+]1CCO[C@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000356913935 416005714 /nfs/dbraw/zinc/00/57/14/416005714.db2.gz OPKRQFYUEQBCBI-STQMWFEESA-N 1 2 307.306 0.455 10 5 DCBELO COC(=O)CN(CC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])nc1 ZINC000450428197 287449737 /nfs/dbraw/zinc/44/97/37/287449737.db2.gz VMTGEVBJCKDGLQ-UHFFFAOYSA-N 1 2 324.337 0.301 10 5 DCBELO O=[N+]([O-])c1cnc2ccc(NC[C@@H]3C[NH+]4CCN3CC4)nn21 ZINC000301960137 230006074 /nfs/dbraw/zinc/00/60/74/230006074.db2.gz MDBHCZQYUJQDAZ-SNVBAGLBSA-N 1 2 303.326 0.049 10 5 DCBELO CC(=O)NC1C[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000191729726 519649417 /nfs/dbraw/zinc/64/94/17/519649417.db2.gz GUBQJJRKISDNGE-LBPRGKRZSA-N 1 2 309.322 0.155 10 5 DCBELO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)[C@H]2C1 ZINC000285275516 536468729 /nfs/dbraw/zinc/46/87/29/536468729.db2.gz AWZLOEYESJWELE-JSGCOSHPSA-N 1 2 321.333 0.846 10 5 DCBELO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)[C@H]2C1 ZINC000285275516 536468731 /nfs/dbraw/zinc/46/87/31/536468731.db2.gz AWZLOEYESJWELE-JSGCOSHPSA-N 1 2 321.333 0.846 10 5 DCBELO CC(C)(C(=O)N1CC[NH+](C2CC2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000102341138 395769839 /nfs/dbraw/zinc/76/98/39/395769839.db2.gz LXKFTVBOXMERHG-UHFFFAOYSA-N 1 2 307.354 0.833 10 5 DCBELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000171289107 396113683 /nfs/dbraw/zinc/11/36/83/396113683.db2.gz JGKBTELJQDCKEZ-LBPRGKRZSA-N 1 2 324.293 0.563 10 5 DCBELO C[N@H+]1CCO[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000171289107 396113687 /nfs/dbraw/zinc/11/36/87/396113687.db2.gz JGKBTELJQDCKEZ-LBPRGKRZSA-N 1 2 324.293 0.563 10 5 DCBELO C[N@@H+]1CCO[C@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000104792685 415628233 /nfs/dbraw/zinc/62/82/33/415628233.db2.gz NOGQUZXTIZMCFY-CYBMUJFWSA-N 1 2 308.338 0.725 10 5 DCBELO C[N@H+]1CCO[C@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000104792685 415628238 /nfs/dbraw/zinc/62/82/38/415628238.db2.gz NOGQUZXTIZMCFY-CYBMUJFWSA-N 1 2 308.338 0.725 10 5 DCBELO Nc1c(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000176919772 416138180 /nfs/dbraw/zinc/13/81/80/416138180.db2.gz ATZOLDKSMNZVTC-NSHDSACASA-N 1 2 320.349 0.724 10 5 DCBELO O=[N+]([O-])c1cccc(F)c1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000184776770 261119591 /nfs/dbraw/zinc/11/95/91/261119591.db2.gz VIYXTVLNYLGNCE-JTQLQIEISA-N 1 2 300.286 0.806 10 5 DCBELO COc1ccc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000194725774 395806030 /nfs/dbraw/zinc/80/60/30/395806030.db2.gz XYOKUUANYLQWNR-LLVKDONJSA-N 1 2 309.322 0.664 10 5 DCBELO COc1ccc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000194725774 395806033 /nfs/dbraw/zinc/80/60/33/395806033.db2.gz XYOKUUANYLQWNR-LLVKDONJSA-N 1 2 309.322 0.664 10 5 DCBELO CN1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1=O ZINC000191107613 396415809 /nfs/dbraw/zinc/41/58/09/396415809.db2.gz DVQMHBNPLGBVJG-UHFFFAOYSA-N 1 2 306.322 0.358 10 5 DCBELO CN1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1=O ZINC000191107613 396415812 /nfs/dbraw/zinc/41/58/12/396415812.db2.gz DVQMHBNPLGBVJG-UHFFFAOYSA-N 1 2 306.322 0.358 10 5 DCBELO O=[N+]([O-])c1ccc(S(=O)(=O)NCCn2cc[nH+]c2)s1 ZINC000098117514 158126525 /nfs/dbraw/zinc/12/65/25/158126525.db2.gz FVJLYKOFSMSWNY-UHFFFAOYSA-N 1 2 302.337 0.831 10 5 DCBELO C[N@@H+]1CCO[C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000194634188 395802594 /nfs/dbraw/zinc/80/25/94/395802594.db2.gz VDUDNTBWHVARIV-LLVKDONJSA-N 1 2 309.322 0.420 10 5 DCBELO C[N@H+]1CCO[C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000194634188 395802598 /nfs/dbraw/zinc/80/25/98/395802598.db2.gz VDUDNTBWHVARIV-LLVKDONJSA-N 1 2 309.322 0.420 10 5 DCBELO Cc1nnc([C@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CCO2)[nH]1 ZINC000174878657 416090261 /nfs/dbraw/zinc/09/02/61/416090261.db2.gz SPZFULZRQGWOCM-LLVKDONJSA-N 1 2 307.314 0.291 10 5 DCBELO Cc1nnc([C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CCO2)[nH]1 ZINC000174878657 416090265 /nfs/dbraw/zinc/09/02/65/416090265.db2.gz SPZFULZRQGWOCM-LLVKDONJSA-N 1 2 307.314 0.291 10 5 DCBELO COC(=O)c1cc(NC[C@@H]2C[NH+]3CCN2CC3)ccc1[N+](=O)[O-] ZINC000301778453 416091477 /nfs/dbraw/zinc/09/14/77/416091477.db2.gz MHTZNPYHARVBLQ-GFCCVEGCSA-N 1 2 320.349 0.793 10 5 DCBELO CCc1n[nH]c(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000284758012 536002380 /nfs/dbraw/zinc/00/23/80/536002380.db2.gz OMYGRIFELWXEBI-GHMZBOCLSA-N 1 2 323.353 0.425 10 5 DCBELO CCc1n[nH]c(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000284758012 536002382 /nfs/dbraw/zinc/00/23/82/536002382.db2.gz OMYGRIFELWXEBI-GHMZBOCLSA-N 1 2 323.353 0.425 10 5 DCBELO CCc1[nH]nc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000284758012 536002385 /nfs/dbraw/zinc/00/23/85/536002385.db2.gz OMYGRIFELWXEBI-GHMZBOCLSA-N 1 2 323.353 0.425 10 5 DCBELO CCc1[nH]nc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000284758012 536002386 /nfs/dbraw/zinc/00/23/86/536002386.db2.gz OMYGRIFELWXEBI-GHMZBOCLSA-N 1 2 323.353 0.425 10 5 DCBELO O=[N+]([O-])c1ccc(OC[C@@H](O)C[NH+]2CCOCC2)cc1F ZINC000154185481 665093941 /nfs/dbraw/zinc/09/39/41/665093941.db2.gz RYDKOWQRRCCQTG-JTQLQIEISA-N 1 2 300.286 0.806 10 5 DCBELO CN(C)c1[nH+]cccc1CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000162008160 291242932 /nfs/dbraw/zinc/24/29/32/291242932.db2.gz YVEBCWUNLLUGRZ-UHFFFAOYSA-N 1 2 304.310 0.719 10 5 DCBELO COCCN(CCOC)c1ncnc(-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000040618397 183109654 /nfs/dbraw/zinc/10/96/54/183109654.db2.gz UBXCMNJHJWENAO-UHFFFAOYSA-N 1 2 322.325 0.670 10 5 DCBELO C[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000122652479 395887889 /nfs/dbraw/zinc/88/78/89/395887889.db2.gz GAKJVVXZZYATBM-KOLCDFICSA-N 1 2 309.326 0.111 10 5 DCBELO CC(=O)N1CC[NH+](CCNc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601105309 397004243 /nfs/dbraw/zinc/00/42/43/397004243.db2.gz ZGRBLFJTBWGUEY-UHFFFAOYSA-N 1 2 311.317 0.705 10 5 DCBELO COC(=O)c1cc(NC[C@H]2C[NH+]3CCN2CC3)ccc1[N+](=O)[O-] ZINC000301778454 416092710 /nfs/dbraw/zinc/09/27/10/416092710.db2.gz MHTZNPYHARVBLQ-LBPRGKRZSA-N 1 2 320.349 0.793 10 5 DCBELO CC(=O)[C@@](C)(O)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459514059 416547520 /nfs/dbraw/zinc/54/75/20/416547520.db2.gz RUVWNNIFEWMLEE-AWEZNQCLSA-N 1 2 308.338 0.452 10 5 DCBELO CCc1nc(C(C)(C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)no1 ZINC000441256162 416667562 /nfs/dbraw/zinc/66/75/62/416667562.db2.gz MRBXQFMQHCTQMX-JTQLQIEISA-N 1 2 324.341 0.623 10 5 DCBELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@H]21 ZINC000286250253 290113207 /nfs/dbraw/zinc/11/32/07/290113207.db2.gz DZQGWZNMNNLVPF-OLZOCXBDSA-N 1 2 320.349 0.722 10 5 DCBELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@H]21 ZINC000286250253 290113208 /nfs/dbraw/zinc/11/32/08/290113208.db2.gz DZQGWZNMNNLVPF-OLZOCXBDSA-N 1 2 320.349 0.722 10 5 DCBELO C[N@@H+]1CCO[C@H]2CN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000408150562 290118808 /nfs/dbraw/zinc/11/88/08/290118808.db2.gz MNTSOXWMDSEAQU-RYUDHWBXSA-N 1 2 306.322 0.332 10 5 DCBELO C[N@H+]1CCO[C@H]2CN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000408150562 290118812 /nfs/dbraw/zinc/11/88/12/290118812.db2.gz MNTSOXWMDSEAQU-RYUDHWBXSA-N 1 2 306.322 0.332 10 5 DCBELO CCc1n[nH]c(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000284758023 536000708 /nfs/dbraw/zinc/00/07/08/536000708.db2.gz OMYGRIFELWXEBI-QWRGUYRKSA-N 1 2 323.353 0.425 10 5 DCBELO CCc1n[nH]c(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000284758023 536000713 /nfs/dbraw/zinc/00/07/13/536000713.db2.gz OMYGRIFELWXEBI-QWRGUYRKSA-N 1 2 323.353 0.425 10 5 DCBELO CCc1[nH]nc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000284758023 536000716 /nfs/dbraw/zinc/00/07/16/536000716.db2.gz OMYGRIFELWXEBI-QWRGUYRKSA-N 1 2 323.353 0.425 10 5 DCBELO CCc1[nH]nc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000284758023 536000721 /nfs/dbraw/zinc/00/07/21/536000721.db2.gz OMYGRIFELWXEBI-QWRGUYRKSA-N 1 2 323.353 0.425 10 5 DCBELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])s1 ZINC000176438880 396155569 /nfs/dbraw/zinc/15/55/69/396155569.db2.gz RTNAQRKCCBACSP-SECBINFHSA-N 1 2 315.351 0.079 10 5 DCBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000080624188 396283616 /nfs/dbraw/zinc/28/36/16/396283616.db2.gz XYMLXRLZOFRTCB-UHFFFAOYSA-N 1 2 312.307 0.805 10 5 DCBELO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H]1[NH+]1CCOCC1 ZINC000408233496 160065750 /nfs/dbraw/zinc/06/57/50/160065750.db2.gz VDRRZIPYMHSOPS-ZWNOBZJWSA-N 1 2 308.338 0.716 10 5 DCBELO Cc1cccc(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000154129725 415988683 /nfs/dbraw/zinc/98/86/83/415988683.db2.gz PLLIEXDGCPJIPH-GFCCVEGCSA-N 1 2 323.349 0.326 10 5 DCBELO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178636332 416168341 /nfs/dbraw/zinc/16/83/41/416168341.db2.gz ISUDWZLNFNEFHW-VBROQKIQSA-N 1 2 316.361 0.724 10 5 DCBELO NC(=O)c1ccc(N2CC[C@H]([NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000173976890 295182719 /nfs/dbraw/zinc/18/27/19/295182719.db2.gz DTCRNRZHHPPFTG-LBPRGKRZSA-N 1 2 320.349 0.605 10 5 DCBELO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccc([N+](=O)[O-])cc1O ZINC000157930088 526621904 /nfs/dbraw/zinc/62/19/04/526621904.db2.gz SQYIIUHTAOZTCQ-LBPRGKRZSA-N 1 2 321.333 0.893 10 5 DCBELO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccc([N+](=O)[O-])cc1O ZINC000157930088 526621908 /nfs/dbraw/zinc/62/19/08/526621908.db2.gz SQYIIUHTAOZTCQ-LBPRGKRZSA-N 1 2 321.333 0.893 10 5 DCBELO O=C([C@@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000054447913 662766575 /nfs/dbraw/zinc/76/65/75/662766575.db2.gz NRNZBMRJHQLJSS-GFCCVEGCSA-N 1 2 323.353 0.320 10 5 DCBELO O=C([C@@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000054447913 662766576 /nfs/dbraw/zinc/76/65/76/662766576.db2.gz NRNZBMRJHQLJSS-GFCCVEGCSA-N 1 2 323.353 0.320 10 5 DCBELO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000116890064 395848881 /nfs/dbraw/zinc/84/88/81/395848881.db2.gz MLSJGXOJNYJTDE-VIFPVBQESA-N 1 2 317.342 0.857 10 5 DCBELO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000116890064 395848882 /nfs/dbraw/zinc/84/88/82/395848882.db2.gz MLSJGXOJNYJTDE-VIFPVBQESA-N 1 2 317.342 0.857 10 5 DCBELO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)[NH+]1CCOCC1 ZINC000178163233 396189941 /nfs/dbraw/zinc/18/99/41/396189941.db2.gz BUJCAPHFPMFDEY-SNVBAGLBSA-N 1 2 308.338 0.628 10 5 DCBELO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1O ZINC000185110922 396317932 /nfs/dbraw/zinc/31/79/32/396317932.db2.gz NCENHWWBMAMYRK-GFCCVEGCSA-N 1 2 323.349 0.877 10 5 DCBELO CCc1n[nH]c(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1[N+](=O)[O-] ZINC000189617701 396396991 /nfs/dbraw/zinc/39/69/91/396396991.db2.gz GGCKRFUNKDPUHA-SECBINFHSA-N 1 2 311.342 0.019 10 5 DCBELO CCc1n[nH]c(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1[N+](=O)[O-] ZINC000189617701 396396993 /nfs/dbraw/zinc/39/69/93/396396993.db2.gz GGCKRFUNKDPUHA-SECBINFHSA-N 1 2 311.342 0.019 10 5 DCBELO CCc1[nH]nc(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1[N+](=O)[O-] ZINC000189617701 396396997 /nfs/dbraw/zinc/39/69/97/396396997.db2.gz GGCKRFUNKDPUHA-SECBINFHSA-N 1 2 311.342 0.019 10 5 DCBELO CCc1[nH]nc(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1[N+](=O)[O-] ZINC000189617701 396396999 /nfs/dbraw/zinc/39/69/99/396396999.db2.gz GGCKRFUNKDPUHA-SECBINFHSA-N 1 2 311.342 0.019 10 5 DCBELO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000090698624 158104734 /nfs/dbraw/zinc/10/47/34/158104734.db2.gz IWGZALVZXVCNPL-AWEZNQCLSA-N 1 2 304.350 0.253 10 5 DCBELO CC1(C)COCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000170869431 416036159 /nfs/dbraw/zinc/03/61/59/416036159.db2.gz HTJYJRQMKWECDT-UHFFFAOYSA-N 1 2 323.353 0.611 10 5 DCBELO CC1(C)COCC[N@H+]1CCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000170869431 416036161 /nfs/dbraw/zinc/03/61/61/416036161.db2.gz HTJYJRQMKWECDT-UHFFFAOYSA-N 1 2 323.353 0.611 10 5 DCBELO COc1ccc(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000187286601 200089620 /nfs/dbraw/zinc/08/96/20/200089620.db2.gz INIGLLJJQBVIRN-LLVKDONJSA-N 1 2 323.349 0.742 10 5 DCBELO COc1ccc(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000187286601 200089622 /nfs/dbraw/zinc/08/96/22/200089622.db2.gz INIGLLJJQBVIRN-LLVKDONJSA-N 1 2 323.349 0.742 10 5 DCBELO C[N@@H+]1CCO[C@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000104784213 194040588 /nfs/dbraw/zinc/04/05/88/194040588.db2.gz GYIXXNFQZJLLNM-GFCCVEGCSA-N 1 2 308.338 0.725 10 5 DCBELO C[N@H+]1CCO[C@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000104784213 194040590 /nfs/dbraw/zinc/04/05/90/194040590.db2.gz GYIXXNFQZJLLNM-GFCCVEGCSA-N 1 2 308.338 0.725 10 5 DCBELO C[NH+](C)C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CCO1 ZINC000116977897 395849722 /nfs/dbraw/zinc/84/97/22/395849722.db2.gz GXNJXSZDJBLWST-NSHDSACASA-N 1 2 309.322 0.703 10 5 DCBELO O=C1[C@@H]([N@@H+]2CCNC(=O)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109131379 158136719 /nfs/dbraw/zinc/13/67/19/158136719.db2.gz VISWPPUBZCTRAL-ZDUSSCGKSA-N 1 2 318.333 0.522 10 5 DCBELO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000128059693 526074078 /nfs/dbraw/zinc/07/40/78/526074078.db2.gz BDISTTXHLFTERU-ZDUSSCGKSA-N 1 2 323.349 0.326 10 5 DCBELO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000090698623 158104558 /nfs/dbraw/zinc/10/45/58/158104558.db2.gz IWGZALVZXVCNPL-CQSZACIVSA-N 1 2 304.350 0.253 10 5 DCBELO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000367479873 159340615 /nfs/dbraw/zinc/34/06/15/159340615.db2.gz FVPPKHXIIYFZOX-VIFPVBQESA-N 1 2 321.305 0.822 10 5 DCBELO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H]1[NH+]1CCOCC1 ZINC000173858660 278414367 /nfs/dbraw/zinc/41/43/67/278414367.db2.gz OIRVCLWQNJWDBR-QWRGUYRKSA-N 1 2 309.322 0.981 10 5 DCBELO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCN1CCO ZINC000187709598 237355532 /nfs/dbraw/zinc/35/55/32/237355532.db2.gz HTUUIRCMCDTBIO-CYBMUJFWSA-N 1 2 309.366 0.972 10 5 DCBELO C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCN1CCO ZINC000187709598 237355535 /nfs/dbraw/zinc/35/55/35/237355535.db2.gz HTUUIRCMCDTBIO-CYBMUJFWSA-N 1 2 309.366 0.972 10 5 DCBELO C[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000104784216 194039784 /nfs/dbraw/zinc/03/97/84/194039784.db2.gz GYIXXNFQZJLLNM-LBPRGKRZSA-N 1 2 308.338 0.725 10 5 DCBELO C[N@H+]1CCO[C@@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000104784216 194039785 /nfs/dbraw/zinc/03/97/85/194039785.db2.gz GYIXXNFQZJLLNM-LBPRGKRZSA-N 1 2 308.338 0.725 10 5 DCBELO C[N@@H+]1CCO[C@@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000194723864 395805868 /nfs/dbraw/zinc/80/58/68/395805868.db2.gz YHCORCBUEIVMKN-ZDUSSCGKSA-N 1 2 309.322 0.420 10 5 DCBELO C[N@H+]1CCO[C@@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000194723864 395805872 /nfs/dbraw/zinc/80/58/72/395805872.db2.gz YHCORCBUEIVMKN-ZDUSSCGKSA-N 1 2 309.322 0.420 10 5 DCBELO Cc1c(C(=O)NC[C@H](O)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000154115953 396031638 /nfs/dbraw/zinc/03/16/38/396031638.db2.gz WJUXLLHVBBHDLB-LBPRGKRZSA-N 1 2 323.349 0.326 10 5 DCBELO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000171286184 396112725 /nfs/dbraw/zinc/11/27/25/396112725.db2.gz VYFFNSWTXJZMHC-NSHDSACASA-N 1 2 309.322 0.664 10 5 DCBELO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000171286184 396112728 /nfs/dbraw/zinc/11/27/28/396112728.db2.gz VYFFNSWTXJZMHC-NSHDSACASA-N 1 2 309.322 0.664 10 5 DCBELO C[N@@H+]1CCO[C@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000171289098 396112849 /nfs/dbraw/zinc/11/28/49/396112849.db2.gz JGKBTELJQDCKEZ-GFCCVEGCSA-N 1 2 324.293 0.563 10 5 DCBELO C[N@H+]1CCO[C@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000171289098 396112851 /nfs/dbraw/zinc/11/28/51/396112851.db2.gz JGKBTELJQDCKEZ-GFCCVEGCSA-N 1 2 324.293 0.563 10 5 DCBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000183391256 396269262 /nfs/dbraw/zinc/26/92/62/396269262.db2.gz GHAOXGALTBBTAI-ZDUSSCGKSA-N 1 2 318.333 0.046 10 5 DCBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000183391256 396269264 /nfs/dbraw/zinc/26/92/64/396269264.db2.gz GHAOXGALTBBTAI-ZDUSSCGKSA-N 1 2 318.333 0.046 10 5 DCBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000179171129 396223442 /nfs/dbraw/zinc/22/34/42/396223442.db2.gz JQCADYKVVIXEDT-VXGBXAGGSA-N 1 2 309.322 0.269 10 5 DCBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000179171129 396223446 /nfs/dbraw/zinc/22/34/46/396223446.db2.gz JQCADYKVVIXEDT-VXGBXAGGSA-N 1 2 309.322 0.269 10 5 DCBELO NC(=O)N[C@@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611287543 396849631 /nfs/dbraw/zinc/84/96/31/396849631.db2.gz RDCLUYSRRIRNBQ-SNVBAGLBSA-N 1 2 322.321 0.609 10 5 DCBELO NC(=O)N[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611287543 396849637 /nfs/dbraw/zinc/84/96/37/396849637.db2.gz RDCLUYSRRIRNBQ-SNVBAGLBSA-N 1 2 322.321 0.609 10 5 DCBELO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172746572 158398228 /nfs/dbraw/zinc/39/82/28/158398228.db2.gz GCMSSAPHLGYVHI-LBPRGKRZSA-N 1 2 323.353 0.033 10 5 DCBELO CC(C)Cn1cc[nH+]c1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000173029154 416051308 /nfs/dbraw/zinc/05/13/08/416051308.db2.gz YTFFQLOUAGGBHK-UHFFFAOYSA-N 1 2 306.326 0.960 10 5 DCBELO Nc1c(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cccc1[N+](=O)[O-] ZINC000176705170 416133597 /nfs/dbraw/zinc/13/35/97/416133597.db2.gz ZXHZXEXMROBPSQ-LLVKDONJSA-N 1 2 320.349 0.770 10 5 DCBELO Nc1c(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cccc1[N+](=O)[O-] ZINC000176705170 416133601 /nfs/dbraw/zinc/13/36/01/416133601.db2.gz ZXHZXEXMROBPSQ-LLVKDONJSA-N 1 2 320.349 0.770 10 5 DCBELO CN(C)c1[nH+]cccc1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180529309 416196918 /nfs/dbraw/zinc/19/69/18/416196918.db2.gz AUJZPXYTGDETNR-UHFFFAOYSA-N 1 2 316.321 0.963 10 5 DCBELO COc1cccc(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)c1[N+](=O)[O-] ZINC000192911384 261139741 /nfs/dbraw/zinc/13/97/41/261139741.db2.gz PQXGSEIVSJTWST-LLVKDONJSA-N 1 2 323.349 0.742 10 5 DCBELO C[N@@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000194392781 277052198 /nfs/dbraw/zinc/05/21/98/277052198.db2.gz WJWXGINOSBAUNK-UHFFFAOYSA-N 1 2 305.381 0.983 10 5 DCBELO C[N@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000194392781 277052199 /nfs/dbraw/zinc/05/21/99/277052199.db2.gz WJWXGINOSBAUNK-UHFFFAOYSA-N 1 2 305.381 0.983 10 5 DCBELO CC(=O)NC1C[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000191729309 519649435 /nfs/dbraw/zinc/64/94/35/519649435.db2.gz VTSUQWAXLIYTRY-CYBMUJFWSA-N 1 2 309.322 0.155 10 5 DCBELO Cc1c(F)cc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000132479706 525795344 /nfs/dbraw/zinc/79/53/44/525795344.db2.gz RSAJOZCXWJPMET-UHFFFAOYSA-N 1 2 317.342 0.978 10 5 DCBELO Cc1cnn(C[C@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CCO2)c1 ZINC000174850932 198393037 /nfs/dbraw/zinc/39/30/37/198393037.db2.gz FVNFJFNBJNHOMQ-CQSZACIVSA-N 1 2 320.353 0.697 10 5 DCBELO Cc1cnn(C[C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CCO2)c1 ZINC000174850932 198393039 /nfs/dbraw/zinc/39/30/39/198393039.db2.gz FVNFJFNBJNHOMQ-CQSZACIVSA-N 1 2 320.353 0.697 10 5 DCBELO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000127481913 158274766 /nfs/dbraw/zinc/27/47/66/158274766.db2.gz ZDPNBBMYMYZPCT-CYBMUJFWSA-N 1 2 320.349 0.891 10 5 DCBELO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000127481913 158274767 /nfs/dbraw/zinc/27/47/67/158274767.db2.gz ZDPNBBMYMYZPCT-CYBMUJFWSA-N 1 2 320.349 0.891 10 5 DCBELO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@H]21 ZINC000408290330 160077616 /nfs/dbraw/zinc/07/76/16/160077616.db2.gz OMWLWPDARKXCAC-CHWSQXEVSA-N 1 2 309.297 0.889 10 5 DCBELO C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@H]21 ZINC000408290330 160077617 /nfs/dbraw/zinc/07/76/17/160077617.db2.gz OMWLWPDARKXCAC-CHWSQXEVSA-N 1 2 309.297 0.889 10 5 DCBELO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C[C@H]21 ZINC000408296640 160079012 /nfs/dbraw/zinc/07/90/12/160079012.db2.gz FNGUJCWBXMLHIE-VXGBXAGGSA-N 1 2 324.312 0.471 10 5 DCBELO C[N@H+]1CCO[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C[C@H]21 ZINC000408296640 160079015 /nfs/dbraw/zinc/07/90/15/160079015.db2.gz FNGUJCWBXMLHIE-VXGBXAGGSA-N 1 2 324.312 0.471 10 5 DCBELO Cc1n[nH]c(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000266161060 287129769 /nfs/dbraw/zinc/12/97/69/287129769.db2.gz ITKBYEMCKITHPR-KOLCDFICSA-N 1 2 323.353 0.419 10 5 DCBELO Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000266161060 287129771 /nfs/dbraw/zinc/12/97/71/287129771.db2.gz ITKBYEMCKITHPR-KOLCDFICSA-N 1 2 323.353 0.419 10 5 DCBELO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178621750 416165778 /nfs/dbraw/zinc/16/57/78/416165778.db2.gz PCKKJEMAIMCEBI-MBVDDHJVSA-N 1 2 316.361 0.724 10 5 DCBELO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3O)[C@@H]2C1 ZINC000285834245 290235891 /nfs/dbraw/zinc/23/58/91/290235891.db2.gz POBHXXSRIFJTFP-TZMCWYRMSA-N 1 2 321.333 0.846 10 5 DCBELO C[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3O)[C@@H]2C1 ZINC000285834245 290235895 /nfs/dbraw/zinc/23/58/95/290235895.db2.gz POBHXXSRIFJTFP-TZMCWYRMSA-N 1 2 321.333 0.846 10 5 DCBELO CCOC(=O)C(C)(C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173461494 528559386 /nfs/dbraw/zinc/55/93/86/528559386.db2.gz XOIJETUNKBBGGZ-JTQLQIEISA-N 1 2 300.315 0.084 10 5 DCBELO Cc1sc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc1[N+](=O)[O-] ZINC000178604595 396200044 /nfs/dbraw/zinc/20/00/44/396200044.db2.gz KGABOSZZVKMINO-SNVBAGLBSA-N 1 2 310.379 0.694 10 5 DCBELO CCn1cc([N+](=O)[O-])c(C(=O)N(C)CC[NH+]2CCOCC2)n1 ZINC000191797425 396425009 /nfs/dbraw/zinc/42/50/09/396425009.db2.gz HWVAZMIEIDYEJE-UHFFFAOYSA-N 1 2 311.342 0.215 10 5 DCBELO COc1cccc(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1[N+](=O)[O-] ZINC000192909956 396440541 /nfs/dbraw/zinc/44/05/41/396440541.db2.gz OTGMFEKGZHDRNN-LLVKDONJSA-N 1 2 323.349 0.742 10 5 DCBELO COc1cccc(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1[N+](=O)[O-] ZINC000192909956 396440542 /nfs/dbraw/zinc/44/05/42/396440542.db2.gz OTGMFEKGZHDRNN-LLVKDONJSA-N 1 2 323.349 0.742 10 5 DCBELO O=C1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCN1 ZINC000065955080 158034070 /nfs/dbraw/zinc/03/40/70/158034070.db2.gz CBRVDHXOJCDMCS-UHFFFAOYSA-N 1 2 317.305 0.967 10 5 DCBELO O=C1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCN1 ZINC000065955080 158034073 /nfs/dbraw/zinc/03/40/73/158034073.db2.gz CBRVDHXOJCDMCS-UHFFFAOYSA-N 1 2 317.305 0.967 10 5 DCBELO O=C(NCc1ccnc(-n2cc[nH+]c2)c1)c1[nH]ncc1[N+](=O)[O-] ZINC000137287313 158345542 /nfs/dbraw/zinc/34/55/42/158345542.db2.gz XPSUAFWAIGKCIU-UHFFFAOYSA-N 1 2 313.277 0.829 10 5 DCBELO Cc1cc(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC000121980043 280349545 /nfs/dbraw/zinc/34/95/45/280349545.db2.gz XYOXJFSHMNTQOU-CQSZACIVSA-N 1 2 323.349 0.326 10 5 DCBELO C[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000124573910 524691481 /nfs/dbraw/zinc/69/14/81/524691481.db2.gz NPIJZFONTGKKCK-JTQLQIEISA-N 1 2 309.326 0.832 10 5 DCBELO CN(C)c1[nH+]cccc1N(C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000176778357 529814577 /nfs/dbraw/zinc/81/45/77/529814577.db2.gz VFXRPCHKZLUQBN-UHFFFAOYSA-N 1 2 304.310 0.915 10 5 DCBELO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000116890062 395848568 /nfs/dbraw/zinc/84/85/68/395848568.db2.gz MLSJGXOJNYJTDE-SECBINFHSA-N 1 2 317.342 0.857 10 5 DCBELO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000116890062 395848571 /nfs/dbraw/zinc/84/85/71/395848571.db2.gz MLSJGXOJNYJTDE-SECBINFHSA-N 1 2 317.342 0.857 10 5 DCBELO C[N@@H+]1CCO[C@H]2CN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000152952966 396018955 /nfs/dbraw/zinc/01/89/55/396018955.db2.gz YOJUVEFHGFHINC-NEPJUHHUSA-N 1 2 323.353 0.068 10 5 DCBELO C[N@H+]1CCO[C@H]2CN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000152952966 396018958 /nfs/dbraw/zinc/01/89/58/396018958.db2.gz YOJUVEFHGFHINC-NEPJUHHUSA-N 1 2 323.353 0.068 10 5 DCBELO Cn1cc(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)nn1 ZINC000611931430 396950707 /nfs/dbraw/zinc/95/07/07/396950707.db2.gz STAAYVKWFOTTDX-UHFFFAOYSA-N 1 2 305.294 0.784 10 5 DCBELO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000127482147 158274667 /nfs/dbraw/zinc/27/46/67/158274667.db2.gz ZDPNBBMYMYZPCT-ZDUSSCGKSA-N 1 2 320.349 0.891 10 5 DCBELO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000127482147 158274672 /nfs/dbraw/zinc/27/46/72/158274672.db2.gz ZDPNBBMYMYZPCT-ZDUSSCGKSA-N 1 2 320.349 0.891 10 5 DCBELO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172761415 158399811 /nfs/dbraw/zinc/39/98/11/158399811.db2.gz UVCMOJNDRYNAFP-GFCCVEGCSA-N 1 2 320.349 0.845 10 5 DCBELO C[NH+](C)C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CCO1 ZINC000186578774 289217398 /nfs/dbraw/zinc/21/73/98/289217398.db2.gz XUPYGIOOMPWZKG-NSHDSACASA-N 1 2 309.322 0.703 10 5 DCBELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000154103508 303785232 /nfs/dbraw/zinc/78/52/32/303785232.db2.gz UYSZCNYTTNZONR-LLVKDONJSA-N 1 2 309.322 0.018 10 5 DCBELO Cc1c(CC(=O)NC[C@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000163932381 525693795 /nfs/dbraw/zinc/69/37/95/525693795.db2.gz ZDJTVPMYWJLCNW-ZDUSSCGKSA-N 1 2 307.350 0.893 10 5 DCBELO Cc1c(CC(=O)NC[C@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000163932381 525693805 /nfs/dbraw/zinc/69/38/05/525693805.db2.gz ZDJTVPMYWJLCNW-ZDUSSCGKSA-N 1 2 307.350 0.893 10 5 DCBELO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177814938 198782409 /nfs/dbraw/zinc/78/24/09/198782409.db2.gz UEBSXGYPKZIOTK-GFCCVEGCSA-N 1 2 318.337 0.987 10 5 DCBELO NC(=O)c1cc([N+](=O)[O-])cn(Cc2c[nH+]c3ccccn23)c1=O ZINC000155930938 291222547 /nfs/dbraw/zinc/22/25/47/291222547.db2.gz BDZAQIGMFHQOOK-UHFFFAOYSA-N 1 2 313.273 0.551 10 5 DCBELO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3C[C@H](O)C[C@@H]3CO)n2)c1 ZINC000179174920 396223451 /nfs/dbraw/zinc/22/34/51/396223451.db2.gz OHYUPUXPQNDETL-VXGBXAGGSA-N 1 2 320.305 0.572 10 5 DCBELO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3C[C@H](O)C[C@@H]3CO)n2)c1 ZINC000179174920 396223454 /nfs/dbraw/zinc/22/34/54/396223454.db2.gz OHYUPUXPQNDETL-VXGBXAGGSA-N 1 2 320.305 0.572 10 5 DCBELO C[C@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000067291627 158039398 /nfs/dbraw/zinc/03/93/98/158039398.db2.gz ZZHXJFQMWHSMDA-GFCCVEGCSA-N 1 2 322.365 0.844 10 5 DCBELO C[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000187274784 200087659 /nfs/dbraw/zinc/08/76/59/200087659.db2.gz CCIRJJXESPYJHZ-SNVBAGLBSA-N 1 2 308.338 0.316 10 5 DCBELO C[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000187274784 200087661 /nfs/dbraw/zinc/08/76/61/200087661.db2.gz CCIRJJXESPYJHZ-SNVBAGLBSA-N 1 2 308.338 0.316 10 5 DCBELO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000123192075 395891764 /nfs/dbraw/zinc/89/17/64/395891764.db2.gz NMSQDHLSUPVFJV-NSHDSACASA-N 1 2 323.353 0.645 10 5 DCBELO NC(=O)c1ccc(NC[C@H]2C[N@@H+](C3CC3)CCO2)c([N+](=O)[O-])c1 ZINC000066745770 158037584 /nfs/dbraw/zinc/03/75/84/158037584.db2.gz SIRVUCUFLSJPNG-LBPRGKRZSA-N 1 2 320.349 0.969 10 5 DCBELO NC(=O)c1ccc(NC[C@H]2C[N@H+](C3CC3)CCO2)c([N+](=O)[O-])c1 ZINC000066745770 158037588 /nfs/dbraw/zinc/03/75/88/158037588.db2.gz SIRVUCUFLSJPNG-LBPRGKRZSA-N 1 2 320.349 0.969 10 5 DCBELO C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H]1[NH+]1CCOCC1 ZINC000408052987 160024250 /nfs/dbraw/zinc/02/42/50/160024250.db2.gz NDNIJCPPQDBXPU-PWSUYJOCSA-N 1 2 323.353 0.121 10 5 DCBELO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H]1[NH+]1CCOCC1 ZINC000408233494 160065754 /nfs/dbraw/zinc/06/57/54/160065754.db2.gz VDRRZIPYMHSOPS-GXFFZTMASA-N 1 2 308.338 0.716 10 5 DCBELO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1 ZINC000187262583 261122622 /nfs/dbraw/zinc/12/26/22/261122622.db2.gz SZEPNJSABVHLAJ-NSHDSACASA-N 1 2 323.349 0.742 10 5 DCBELO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000187262583 261122623 /nfs/dbraw/zinc/12/26/23/261122623.db2.gz SZEPNJSABVHLAJ-NSHDSACASA-N 1 2 323.349 0.742 10 5 DCBELO CCOC(=O)C(C)(C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173461507 528558499 /nfs/dbraw/zinc/55/84/99/528558499.db2.gz XOIJETUNKBBGGZ-SNVBAGLBSA-N 1 2 300.315 0.084 10 5 DCBELO