smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccn2c1nc1c(cc(C(N)=O)c(=N)n1CCN1CCOCC1)c2=O ZINC000000788675 209265687 /nfs/dbraw/zinc/26/56/87/209265687.db2.gz SQADILXUYFYXCF-UHFFFAOYSA-N 0 0 382.424 -0.132 50 5 GBBARN CNC(=O)c1cc2c(nc3ccccn3c2=O)n(CCN2CCOCC2)c1=N ZINC000000788677 570330658 /nfs/dbraw/zinc/33/06/58/570330658.db2.gz XCVDXAGDDSZUHS-UHFFFAOYSA-N 0 0 382.424 -0.180 50 5 GBBARN N=c1c(C(N)=O)cc2c(nc3ccccn3c2=O)n1CCCN1CCOCC1 ZINC000000788698 212181641 /nfs/dbraw/zinc/18/16/41/212181641.db2.gz CXDMERSBQJMJTI-UHFFFAOYSA-N 0 0 382.424 -0.050 50 5 GBBARN COc1ccc([N+](=O)[O-])cc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000000851802 209271628 /nfs/dbraw/zinc/27/16/28/209271628.db2.gz VEAVNKUTBZCWRG-UHFFFAOYSA-N 0 0 388.340 -0.011 50 5 biogenic GBBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000001126108 570753506 /nfs/dbraw/zinc/75/35/06/570753506.db2.gz AKMINWNINJYXFZ-UHFFFAOYSA-N 0 0 384.414 -0.070 50 5 GBBARN Cc1cc2nc3c(=O)[n-]c(=O)nc-3n(CC[NH+](CCO)CCO)c2cc1Cl ZINC000001722914 570270776 /nfs/dbraw/zinc/27/07/76/570270776.db2.gz RJURBGYVDMBORN-UHFFFAOYSA-N 0 0 393.831 -0.167 50 5 GBBARN C[C@@]1(NC(=O)CC[N+]2(C)CCCCC2)CS(=O)(=O)C[C@@H]1S(=O)(=O)[O-] ZINC000002258975 220516237 /nfs/dbraw/zinc/51/62/37/220516237.db2.gz IEXZZFYUCJEPTG-GXTWGEPZSA-O 0 0 383.512 -0.433 50 5 GBBARN C[C@]1(NC(=O)CC[N+]2(C)CCCCC2)CS(=O)(=O)C[C@@H]1S(=O)(=O)[O-] ZINC000002258976 530072508 /nfs/dbraw/zinc/07/25/08/530072508.db2.gz IEXZZFYUCJEPTG-JSGCOSHPSA-O 0 0 383.512 -0.433 50 5 GBBARN CCCC[N+](C)(C)CCC(=O)N[C@@]1(C)CS(=O)(=O)C[C@@H]1S(=O)(=O)[O-] ZINC000002350780 209359046 /nfs/dbraw/zinc/35/90/46/209359046.db2.gz KICNMCFBJKDQIU-JSGCOSHPSA-O 0 0 385.528 -0.187 50 5 GBBARN CCCC[N+](C)(C)CCC(=O)N[C@]1(C)CS(=O)(=O)C[C@@H]1S(=O)(=O)[O-] ZINC000002350781 530072453 /nfs/dbraw/zinc/07/24/53/530072453.db2.gz KICNMCFBJKDQIU-GXTWGEPZSA-O 0 0 385.528 -0.187 50 5 GBBARN COC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000002886779 206445003 /nfs/dbraw/zinc/44/50/03/206445003.db2.gz DIUBWUKCAZATLD-NSHDSACASA-N 0 0 380.382 -0.027 50 5 GBBARN CNC1=C([N+](=O)[O-])CC([N+](=O)[O-])=C(N2CCN(S(C)(=O)=O)CC2)N1C ZINC000003190073 530136805 /nfs/dbraw/zinc/13/68/05/530136805.db2.gz UGUOZSRXVAPZMW-UHFFFAOYSA-N 0 0 376.395 -0.990 50 5 GBBARN Cc1ccc2nc3c(cc(C(N)=O)c(=N)n3CCN3CCOCC3)c(=O)n2c1 ZINC000004552976 570880182 /nfs/dbraw/zinc/88/01/82/570880182.db2.gz KCJGNXYJKCQCMG-UHFFFAOYSA-N 0 0 382.424 -0.132 50 5 GBBARN CC(=O)Nn1c(=O)c2ccc3c(=O)n(NC(C)=O)c(=O)c4ccc(c1=O)c2c34 ZINC000004695682 570394316 /nfs/dbraw/zinc/39/43/16/570394316.db2.gz MVNAYRQCFXQQFS-UHFFFAOYSA-N 0 0 380.316 -0.754 50 5 GBBARN CN(C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004707520 570855035 /nfs/dbraw/zinc/85/50/35/570855035.db2.gz RXYPRVAOVPUNSX-QNWHQSFQSA-N 0 0 384.307 -0.514 50 5 GBBARN CCCC[N+](C)(C)CCC(=O)N[C@]1(C)CS(=O)(=O)C[C@H]1S(=O)(=O)[O-] ZINC000004713878 206547501 /nfs/dbraw/zinc/54/75/01/206547501.db2.gz KICNMCFBJKDQIU-TZMCWYRMSA-O 0 0 385.528 -0.187 50 5 GBBARN CCCC[N+](C)(C)CCC(=O)N[C@@]1(C)CS(=O)(=O)C[C@H]1S(=O)(=O)[O-] ZINC000004713879 530072871 /nfs/dbraw/zinc/07/28/71/530072871.db2.gz KICNMCFBJKDQIU-OCCSQVGLSA-O 0 0 385.528 -0.187 50 5 GBBARN C[C@]1(NC(=O)CC[N+]2(C)CCCCC2)CS(=O)(=O)C[C@H]1S(=O)(=O)[O-] ZINC000004791749 204075167 /nfs/dbraw/zinc/07/51/67/204075167.db2.gz IEXZZFYUCJEPTG-OCCSQVGLSA-O 0 0 383.512 -0.433 50 5 GBBARN C[C@@]1(NC(=O)CC[N+]2(C)CCCCC2)CS(=O)(=O)C[C@H]1S(=O)(=O)[O-] ZINC000004791752 204076031 /nfs/dbraw/zinc/07/60/31/204076031.db2.gz IEXZZFYUCJEPTG-TZMCWYRMSA-O 0 0 383.512 -0.433 50 5 GBBARN CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1ccc([N+](=O)[O-])cc1Cl ZINC000005167479 530110223 /nfs/dbraw/zinc/11/02/23/530110223.db2.gz UBBCYDPSFMEFFL-DHGKCCLASA-N 0 0 376.749 -0.429 50 5 GBBARN O=c1ccc2nc3ccc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3oc-2c1 ZINC000006093728 560205266 /nfs/dbraw/zinc/20/52/66/560205266.db2.gz QULZFZMEBOATFS-DISONHOPSA-N 0 0 375.333 -0.529 50 5 in-vitro GBBARN CS(=O)(=O)c1ccc(OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 ZINC000008741809 221054001 /nfs/dbraw/zinc/05/40/01/221054001.db2.gz PNZPKSOZMPZDGO-SECBINFHSA-N 0 0 392.411 -0.320 50 5 GBBARN CS(=O)(=O)c1ccc(OCC(=O)N[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 ZINC000008741810 530144239 /nfs/dbraw/zinc/14/42/39/530144239.db2.gz PNZPKSOZMPZDGO-VIFPVBQESA-N 0 0 392.411 -0.320 50 5 GBBARN COc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c([N+](=O)[O-])c1 ZINC000009015284 204296600 /nfs/dbraw/zinc/29/66/00/204296600.db2.gz ALZBKMFVMFQWPO-UHFFFAOYSA-N 0 0 388.340 -0.011 50 5 biogenic GBBARN COC(CN1CC2(Cc3cc([N+](=O)[O-])ccc31)C(=O)NC(=O)NC2=O)OC ZINC000009187477 230871163 /nfs/dbraw/zinc/87/11/63/230871163.db2.gz LYYJYTOKEOEJDM-UHFFFAOYSA-N 0 0 378.341 -0.071 50 5 GBBARN Cn1c2nc(NN)n(C[C@H](O)COc3ccc([N+](=O)[O-])cc3)c2c(=O)[nH]c1=O ZINC000009242459 221075603 /nfs/dbraw/zinc/07/56/03/221075603.db2.gz LKMKFAPSYYSTNY-VIFPVBQESA-N 0 0 391.344 -0.943 50 5 GBBARN COc1cc([N+](=O)[O-])ccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000009369907 204308426 /nfs/dbraw/zinc/30/84/26/204308426.db2.gz CLYFVLQQCPDQKB-UHFFFAOYSA-N 0 0 388.340 -0.011 50 5 GBBARN Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000009955533 570889943 /nfs/dbraw/zinc/88/99/43/570889943.db2.gz NWYFYTJIQFTELD-UHFFFAOYSA-N 0 0 386.386 -0.379 50 5 GBBARN CN(C)C(=O)COC(=O)CNS(=O)(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC000009987365 221095142 /nfs/dbraw/zinc/09/51/42/221095142.db2.gz JCDJMDPPEIGYJE-UHFFFAOYSA-N 0 0 388.402 -0.430 50 5 GBBARN O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@H]1CCS(=O)(=O)C1 ZINC000010212907 204331112 /nfs/dbraw/zinc/33/11/12/204331112.db2.gz NMMWLBVCEVFLMH-VIFPVBQESA-N 0 0 381.366 -0.116 50 5 GBBARN O=C(NCCNC(=O)c1cnccn1)c1nc(Cn2cc([N+](=O)[O-])cn2)no1 ZINC000012360653 206889383 /nfs/dbraw/zinc/88/93/83/206889383.db2.gz FLEWPRJDHYUYOF-UHFFFAOYSA-N 0 0 387.316 -0.828 50 5 GBBARN NC(=O)Cn1nc([N+](=O)[O-])nc1Oc1ccccc1C(=O)N1CCOCC1 ZINC000012375335 206889771 /nfs/dbraw/zinc/88/97/71/206889771.db2.gz QTGYPUPQGKHIKQ-UHFFFAOYSA-N 0 0 376.329 -0.064 50 5 GBBARN Cc1[nH]c(=O)sc1S(=O)(=O)N1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000012577570 221208152 /nfs/dbraw/zinc/20/81/52/221208152.db2.gz RKGGWGDGAPVHIX-UHFFFAOYSA-N 0 0 388.431 -0.103 50 5 GBBARN CCOC(=O)C(=O)N1CCN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC1 ZINC000013152944 210052768 /nfs/dbraw/zinc/05/27/68/210052768.db2.gz YWKCUEMXKYKEKP-UHFFFAOYSA-N 0 0 391.384 -0.003 50 5 GBBARN O=c1ccc2nc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3oc-2c1 ZINC000014968020 221321928 /nfs/dbraw/zinc/32/19/28/221321928.db2.gz QULZFZMEBOATFS-UYTYNIKBSA-N 0 0 375.333 -0.529 50 5 GBBARN CS(=O)(=O)c1ccc(NCC(=O)N[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 ZINC000016156304 221358809 /nfs/dbraw/zinc/35/88/09/221358809.db2.gz TUWGNLKEVQTRRN-SECBINFHSA-N 0 0 391.427 -0.287 50 5 GBBARN CS(=O)(=O)c1ccc(NCC(=O)N[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 ZINC000016156306 204591318 /nfs/dbraw/zinc/59/13/18/204591318.db2.gz TUWGNLKEVQTRRN-VIFPVBQESA-N 0 0 391.427 -0.287 50 5 GBBARN CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000016474372 221363001 /nfs/dbraw/zinc/36/30/01/221363001.db2.gz NNKNDOGAVIUMEU-UHFFFAOYSA-N 0 0 378.432 -0.293 50 5 GBBARN CC(=O)N1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)NC(=O)NC3=O)[C@H]2C1 ZINC000017014946 570923609 /nfs/dbraw/zinc/92/36/09/570923609.db2.gz RWCHZWOBRLOIRS-CYBMUJFWSA-N 0 0 387.352 -0.460 50 5 GBBARN Cn1nc(C(=O)N2CCOCC2)cc1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000017077149 221376620 /nfs/dbraw/zinc/37/66/20/221376620.db2.gz AFSZXEOXERYQIL-UHFFFAOYSA-N 0 0 377.361 -0.573 50 5 GBBARN O=[N+]([O-])c1ccc(C(CCc2nn[nH]n2)(CCc2nn[nH]n2)c2nn[nH]n2)cc1 ZINC000017143600 207086052 /nfs/dbraw/zinc/08/60/52/207086052.db2.gz UVOUUQPLDAYVAG-UHFFFAOYSA-N 0 0 397.363 -0.314 50 5 GBBARN CC(=O)N1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)NC(=O)NC3=O)[C@@H]2C1 ZINC000018179051 221388642 /nfs/dbraw/zinc/38/86/42/221388642.db2.gz RWCHZWOBRLOIRS-ZDUSSCGKSA-N 0 0 387.352 -0.460 50 5 GBBARN CC(C)NC(=O)C(=O)NCCN1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000019831409 210300682 /nfs/dbraw/zinc/30/06/82/210300682.db2.gz SBWDZIAKKMZPEC-UHFFFAOYSA-N 0 0 391.428 -0.007 50 5 GBBARN O=[N+]([O-])c1ccc(N2CCN(CCO)CC2)nc1N1CCN(CCO)CC1 ZINC000020223931 210323449 /nfs/dbraw/zinc/32/34/49/210323449.db2.gz UUVQZBZHDLYFNJ-UHFFFAOYSA-N 0 0 380.449 -0.782 50 5 GBBARN CN1CCN(c2nc(NCCCN3CCOCC3)nc(N)c2[N+](=O)[O-])CC1 ZINC000020267099 207186054 /nfs/dbraw/zinc/18/60/54/207186054.db2.gz WUZJRYWYAKLCGR-UHFFFAOYSA-N 0 0 380.453 -0.147 50 5 GBBARN CCN1CCN(c2nc(NCCN3CCOCC3)nc(N)c2[N+](=O)[O-])CC1 ZINC000020442231 221487936 /nfs/dbraw/zinc/48/79/36/221487936.db2.gz PIAVGIVYQYDAHF-UHFFFAOYSA-N 0 0 380.453 -0.147 50 5 GBBARN Cc1ccc(S(=O)(=O)NCCNC(=O)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000023304923 221591050 /nfs/dbraw/zinc/59/10/50/221591050.db2.gz VRSVKRCZPFPIAM-UHFFFAOYSA-N 0 0 386.430 -0.370 50 5 GBBARN Cn1c2c(nc3s/c(=C\c4ccc([N+](=O)[O-])o4)c(=O)n32)c(=O)n(C)c1=O ZINC000025576024 570792107 /nfs/dbraw/zinc/79/21/07/570792107.db2.gz FQYKVBAWSZMRJU-ALCCZGGFSA-N 0 0 375.322 -0.645 50 5 GBBARN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000031672272 570819722 /nfs/dbraw/zinc/81/97/22/570819722.db2.gz BZOCRAMZUWMZHK-CYBMUJFWSA-N 0 0 384.414 -0.912 50 5 GBBARN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000031672275 570819543 /nfs/dbraw/zinc/81/95/43/570819543.db2.gz BZOCRAMZUWMZHK-ZDUSSCGKSA-N 0 0 384.414 -0.912 50 5 GBBARN Cc1ccc(C(=O)NCC(=O)NCCC(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000032786832 570809595 /nfs/dbraw/zinc/80/95/95/570809595.db2.gz NEAGBFICVGOEJW-UHFFFAOYSA-N 0 0 378.385 -0.002 50 5 GBBARN CN1C(=O)C[C@H](N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)C1=O ZINC000032869592 204924778 /nfs/dbraw/zinc/92/47/78/204924778.db2.gz NYYIONCZFAZQGG-AWEZNQCLSA-N 0 0 396.425 -0.122 50 5 GBBARN O=C(CNc1nc2ccccn2c(=O)c1[N+](=O)[O-])N[C@@H]1CCS(=O)(=O)C1 ZINC000036394897 204318852 /nfs/dbraw/zinc/31/88/52/204318852.db2.gz RDABXJOXKPTTDD-SECBINFHSA-N 0 0 381.370 -0.682 50 5 GBBARN O=C(CNc1nc2ccccn2c(=O)c1[N+](=O)[O-])N[C@H]1CCS(=O)(=O)C1 ZINC000036394898 204319446 /nfs/dbraw/zinc/31/94/46/204319446.db2.gz RDABXJOXKPTTDD-VIFPVBQESA-N 0 0 381.370 -0.682 50 5 GBBARN O=c1c2cc3c(ccn(-n4cnnc4)c3=O)nc2ccn1CCN1CCOCC1 ZINC000038829276 570584162 /nfs/dbraw/zinc/58/41/62/570584162.db2.gz IJXJPUIZCFSIEI-UHFFFAOYSA-N 0 0 393.407 -0.054 50 5 GBBARN Cc1ccc(S(=O)(=O)NCCN2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000040088526 530147161 /nfs/dbraw/zinc/14/71/61/530147161.db2.gz ADBPKQXVKZPZHV-UHFFFAOYSA-N 0 0 377.444 -0.088 50 5 GBBARN Cc1cc2c(cc1Cl)nc1c(=O)[n-]c(=O)nc-1n2CC[NH+](CCO)CCO ZINC000043214973 212043161 /nfs/dbraw/zinc/04/31/61/212043161.db2.gz WWJJEMUYRDDKCN-UHFFFAOYSA-N 0 0 393.831 -0.167 50 5 GBBARN CS(=O)(=O)N1CCN(CCNc2nc3ccccn3c(=O)c2[N+](=O)[O-])CC1 ZINC000048300785 570234201 /nfs/dbraw/zinc/23/42/01/570234201.db2.gz HRKXAMRXLOAWQK-UHFFFAOYSA-N 0 0 396.429 -0.408 50 5 GBBARN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000048311500 221986858 /nfs/dbraw/zinc/98/68/58/221986858.db2.gz CHQYYNKVFUDNQO-UHFFFAOYSA-N 0 0 386.430 -0.002 50 5 GBBARN NC(=O)[C@@H]1CN(c2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])CCN1 ZINC000057425813 132452006 /nfs/dbraw/zinc/45/20/06/132452006.db2.gz AEYAVMDPVCKLCN-LBPRGKRZSA-N 0 0 383.430 -0.357 50 5 GBBARN COC(=O)C[C@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000061997064 570553325 /nfs/dbraw/zinc/55/33/25/570553325.db2.gz CEGGFCRYJMSOQP-LBPRGKRZSA-N 0 0 381.341 -0.064 50 5 GBBARN COC(=O)C[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000061997065 222064629 /nfs/dbraw/zinc/06/46/29/222064629.db2.gz CEGGFCRYJMSOQP-GFCCVEGCSA-N 0 0 381.341 -0.064 50 5 GBBARN CN1CCN(S(=O)(=O)c2ccc(NCCn3ncnn3)c([N+](=O)[O-])c2)CC1 ZINC000079109263 222304025 /nfs/dbraw/zinc/30/40/25/222304025.db2.gz ZBRCXNKYCFDEKP-UHFFFAOYSA-N 0 0 396.433 -0.371 50 5 GBBARN O=[N+]([O-])c1c(NCCO)c([N+](=O)[O-])c(NCCO)c([N+](=O)[O-])c1NCCO ZINC000100494886 570372436 /nfs/dbraw/zinc/37/24/36/570372436.db2.gz BNULYKZFUFELNU-UHFFFAOYSA-N 0 0 390.309 -0.376 50 5 GBBARN COC(=O)CCC(CN1CC([N+](=O)[O-])([N+](=O)[O-])CCC1=O)([N+](=O)[O-])[N+](=O)[O-] ZINC000100798943 222463016 /nfs/dbraw/zinc/46/30/16/222463016.db2.gz GXGFZSNJOBQYAO-UHFFFAOYSA-N 0 0 393.265 -0.939 50 5 GBBARN CN1C(=O)C[C@@H](N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)C1=O ZINC000102616415 136190334 /nfs/dbraw/zinc/19/03/34/136190334.db2.gz NYYIONCZFAZQGG-CQSZACIVSA-N 0 0 396.425 -0.122 50 5 GBBARN CN1C(=O)C[C@H](Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C1=O ZINC000170642192 570963629 /nfs/dbraw/zinc/96/36/29/570963629.db2.gz SBQGOPSHJXJMEX-LBPRGKRZSA-N 0 0 398.397 -0.215 50 5 GBBARN CN1C(=O)C[C@@H](Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C1=O ZINC000170642194 570964115 /nfs/dbraw/zinc/96/41/15/570964115.db2.gz SBQGOPSHJXJMEX-GFCCVEGCSA-N 0 0 398.397 -0.215 50 5 GBBARN CN(C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000245256618 212135093 /nfs/dbraw/zinc/13/50/93/212135093.db2.gz RXYPRVAOVPUNSX-CYDGBPFRSA-N 0 0 384.307 -0.514 50 5 GBBARN CN(C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000245256619 212134758 /nfs/dbraw/zinc/13/47/58/212134758.db2.gz RXYPRVAOVPUNSX-RNJOBUHISA-N 0 0 384.307 -0.514 50 5 GBBARN NS(=O)(=O)CC[C@H]1NC(=O)N(CCCOc2ccc([N+](=O)[O-])cc2)C1=O ZINC000408518570 231049038 /nfs/dbraw/zinc/04/90/38/231049038.db2.gz OGVVOWAAMORSHQ-GFCCVEGCSA-N 0 0 386.386 -0.037 50 5 GBBARN NS(=O)(=O)CC[C@@H]1NC(=O)N(CCCOc2ccc([N+](=O)[O-])cc2)C1=O ZINC000408518571 231049613 /nfs/dbraw/zinc/04/96/13/231049613.db2.gz OGVVOWAAMORSHQ-LBPRGKRZSA-N 0 0 386.386 -0.037 50 5 GBBARN