smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC1(CNC(=O)c2ccc([N+](=O)[O-])cc2O)CCC1 ZINC001446063739 937361036 /nfs/dbraw/zinc/36/10/36/937361036.db2.gz YHZOEBRWDNTEQE-UHFFFAOYSA-N 0 2 292.335 3.001 20 5 CGBDLN CCCCCC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001540652718 938132679 /nfs/dbraw/zinc/13/26/79/938132679.db2.gz QESNYQQHNQWHKC-LLVKDONJSA-N 0 2 294.351 3.389 20 5 CGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCC2(CC2)C1 ZINC000597443184 347575570 /nfs/dbraw/zinc/57/55/70/347575570.db2.gz PZOUJTZOLADTCV-SNVBAGLBSA-N 0 2 290.319 3.209 20 5 CGBDLN CC1=CC[C@](C)(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CC1 ZINC000597491065 347578282 /nfs/dbraw/zinc/57/82/82/347578282.db2.gz FLTRLTSJMLKYIV-HNNXBMFYSA-N 0 2 290.319 3.375 20 5 CGBDLN Cc1cccc(-n2[nH]c(-c3ccc([N+](=O)[O-])cc3)cc2=O)c1 ZINC000603807665 348095862 /nfs/dbraw/zinc/09/58/62/348095862.db2.gz KQKKGFJISJJUPG-UHFFFAOYSA-N 0 2 295.298 3.044 20 5 CGBDLN CC(C)(C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000177345707 138425921 /nfs/dbraw/zinc/42/59/21/138425921.db2.gz LJWBPSISAKEKTH-UHFFFAOYSA-N 0 2 294.351 3.245 20 5 CGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1CCCCCC1 ZINC000092549434 370098004 /nfs/dbraw/zinc/09/80/04/370098004.db2.gz JBAMPBLIPSTADA-UHFFFAOYSA-N 0 2 278.308 3.209 20 5 CGBDLN CCS[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)C(C)C ZINC000166078238 372564197 /nfs/dbraw/zinc/56/41/97/372564197.db2.gz ZKXDIPZUSPKDSJ-LBPRGKRZSA-N 0 2 298.364 3.017 20 5 CGBDLN Cc1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1C ZINC000235921546 376654995 /nfs/dbraw/zinc/65/49/95/376654995.db2.gz ZBDSEIRBSDLKDP-UHFFFAOYSA-N 0 2 286.287 3.170 20 5 CGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccoc1C1CC1 ZINC000343625308 378045672 /nfs/dbraw/zinc/04/56/72/378045672.db2.gz FREVRSRFXPPSFP-UHFFFAOYSA-N 0 2 288.259 3.023 20 5 CGBDLN C[C@@H]1CC(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000361663984 296275147 /nfs/dbraw/zinc/27/51/47/296275147.db2.gz YNKPKGQFZGTHNM-UWVGGRQHSA-N 0 2 292.335 3.311 20 5 CGBDLN CO[C@H]1CCCC[C@@H]1Nc1ncc([N+](=O)[O-])cc1Cl ZINC000266283475 190246110 /nfs/dbraw/zinc/24/61/10/190246110.db2.gz UVWLMQZQDXIYDV-QWRGUYRKSA-N 0 2 285.731 3.013 20 5 CGBDLN Cc1c(F)cccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000158106133 392555061 /nfs/dbraw/zinc/55/50/61/392555061.db2.gz JSGFTUSBKONFBG-UHFFFAOYSA-N 0 2 290.250 3.000 20 5 CGBDLN C[C@H]1c2ccccc2CN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436971530 300712906 /nfs/dbraw/zinc/71/29/06/300712906.db2.gz JSXMXGJRXHHQRX-JTQLQIEISA-N 0 2 298.298 3.017 20 5 CGBDLN CCCC[C@@H](CC)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000141030026 528771296 /nfs/dbraw/zinc/77/12/96/528771296.db2.gz FESIAQOWIZZKAB-SNVBAGLBSA-N 0 2 280.324 3.455 20 5 CGBDLN Cc1ccc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000164032455 799083825 /nfs/dbraw/zinc/08/38/25/799083825.db2.gz JEGLZXALIPRUPF-UHFFFAOYSA-N 0 2 287.275 3.048 20 5 CGBDLN Cc1ccc([C@H](C)Oc2cccc(O)c2[N+](=O)[O-])cn1 ZINC001225619616 817115846 /nfs/dbraw/zinc/11/58/46/817115846.db2.gz FKTPKPGWTAEHFX-JTQLQIEISA-N 0 2 274.276 3.144 20 5 CGBDLN COc1ccccc1[C@@H](C)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225621761 817116373 /nfs/dbraw/zinc/11/63/73/817116373.db2.gz CVEBFXIMRBXITQ-SNVBAGLBSA-N 0 2 289.287 3.449 20 5 CGBDLN C[C@@H](Oc1cccc(O)c1[N+](=O)[O-])c1cccnc1Cl ZINC001225623093 817116813 /nfs/dbraw/zinc/11/68/13/817116813.db2.gz LVVXAFTXMUPDCL-MRVPVSSYSA-N 0 2 294.694 3.489 20 5 CGBDLN CC[C@@H](C)CSCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000124368321 187134339 /nfs/dbraw/zinc/13/43/39/187134339.db2.gz VHUHZZRFCNAPFJ-SNVBAGLBSA-N 0 2 282.365 3.313 20 5 CGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc2ccccc2o1 ZINC000059354250 369580662 /nfs/dbraw/zinc/58/06/62/369580662.db2.gz KTAWLCCGLSXFRY-UHFFFAOYSA-N 0 2 298.254 3.299 20 5 CGBDLN Cc1cc2[nH]c(-c3ccc(O)c([N+](=O)[O-])c3)nc2c(F)c1 ZINC000436949505 372842767 /nfs/dbraw/zinc/84/27/67/372842767.db2.gz MFUYFNBZTCBJOD-UHFFFAOYSA-N 0 2 287.250 3.291 20 5 CGBDLN C[C@@H]1CCC[C@@]1(C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000450397030 374101346 /nfs/dbraw/zinc/10/13/46/374101346.db2.gz YFSLNVZCAVCABA-YMTOWFKASA-N 0 2 278.308 3.065 20 5 CGBDLN C[C@H]1CCC[C@@]1(C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000450397027 374102562 /nfs/dbraw/zinc/10/25/62/374102562.db2.gz YFSLNVZCAVCABA-LKFCYVNXSA-N 0 2 278.308 3.065 20 5 CGBDLN Cc1cc2nc(-c3ccc([N+](=O)[O-])c(O)c3)[nH]c2cc1C ZINC000498550054 375627323 /nfs/dbraw/zinc/62/73/23/375627323.db2.gz VNRONIKSSATPFP-UHFFFAOYSA-N 0 2 283.287 3.461 20 5 CGBDLN CCN(C(=O)c1cccc(O)c1[N+](=O)[O-])C1CCCCC1 ZINC000281088491 195098213 /nfs/dbraw/zinc/09/82/13/195098213.db2.gz DOISZRFQURBGBG-UHFFFAOYSA-N 0 2 292.335 3.095 20 5 CGBDLN CC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000450542655 394013648 /nfs/dbraw/zinc/01/36/48/394013648.db2.gz VAESQRFYMJURPW-ONGXEEELSA-N 0 2 278.308 3.065 20 5 CGBDLN CC[C@H]1CCCCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182039820 288186088 /nfs/dbraw/zinc/18/60/88/288186088.db2.gz GLFJHNFFHSDNEQ-NSHDSACASA-N 0 2 292.335 3.095 20 5 CGBDLN CC[C@H]1CCC[C@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000450542647 288229519 /nfs/dbraw/zinc/22/95/19/288229519.db2.gz VAESQRFYMJURPW-GXSJLCMTSA-N 0 2 278.308 3.065 20 5 CGBDLN Cc1cccc(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184830957 301975814 /nfs/dbraw/zinc/97/58/14/301975814.db2.gz FRJUFMVTPWKVOQ-UHFFFAOYSA-N 0 2 286.287 3.170 20 5 CGBDLN Cc1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1C ZINC000163962212 534746066 /nfs/dbraw/zinc/74/60/66/534746066.db2.gz FKILVPIOBNANAH-UHFFFAOYSA-N 0 2 286.287 3.170 20 5 CGBDLN O=C(Nc1ccc2c(c1)CCC2)c1ccc(O)c([N+](=O)[O-])c1 ZINC000163993123 534839830 /nfs/dbraw/zinc/83/98/30/534839830.db2.gz HWRLLOHSDPVKGW-UHFFFAOYSA-N 0 2 298.298 3.041 20 5 CGBDLN C/C=C(/C=C/C(=O)Nc1cc([N+](=O)[O-])ccc1O)CC ZINC000770856979 627649062 /nfs/dbraw/zinc/64/90/62/627649062.db2.gz OSOLLJUNBDMRJB-ZVBUZHGDSA-N 0 2 276.292 3.151 20 5 CGBDLN CCOc1cccc2[nH]c(-c3cc([N+](=O)[O-])ccc3O)nc21 ZINC001251045043 805835270 /nfs/dbraw/zinc/83/52/70/805835270.db2.gz FHJUBDUSNFPZKJ-UHFFFAOYSA-N 0 2 299.286 3.242 20 5 CGBDLN O=[N+]([O-])c1cc(Nc2cc(F)c(O)c(F)c2)ccc1O ZINC001210400128 814445556 /nfs/dbraw/zinc/44/55/56/814445556.db2.gz BQSQGTSVLBVRAR-UHFFFAOYSA-N 0 2 282.202 3.028 20 5 CGBDLN C[C@H](Oc1cccc(O)c1[N+](=O)[O-])c1cccnc1Cl ZINC001225623094 817116449 /nfs/dbraw/zinc/11/64/49/817116449.db2.gz LVVXAFTXMUPDCL-QMMMGPOBSA-N 0 2 294.694 3.489 20 5 CGBDLN CCC[C@@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])C(C)C ZINC001228972556 932063442 /nfs/dbraw/zinc/06/34/42/932063442.db2.gz YQBGUXDUSXKLHX-LLVKDONJSA-N 0 2 269.297 3.210 20 5 CGBDLN Cc1ccc(F)c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000164047025 232259687 /nfs/dbraw/zinc/25/96/87/232259687.db2.gz FXZMVNMUVRRMBG-UHFFFAOYSA-N 0 2 290.250 3.000 20 5 CGBDLN CCC[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])C(C)(C)C ZINC000456123381 283914091 /nfs/dbraw/zinc/91/40/91/283914091.db2.gz XGSDWVBRJRNQNM-LBPRGKRZSA-N 0 2 294.351 3.245 20 5 CGBDLN O=C(/C=C\c1ccsc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000492927757 244054697 /nfs/dbraw/zinc/05/46/97/244054697.db2.gz NMQCCTDMVHSZGM-RJRFIUFISA-N 0 2 290.300 3.014 20 5 CGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CC2CCC1CC2 ZINC000315145176 374327055 /nfs/dbraw/zinc/32/70/55/374327055.db2.gz FVWIOMXBBMUQMS-RTYFJBAXSA-N 0 2 290.319 3.065 20 5 CGBDLN CO[C@@H]1CCCC[C@@H]1Nc1ncc([N+](=O)[O-])cc1Cl ZINC000266283476 190245837 /nfs/dbraw/zinc/24/58/37/190245837.db2.gz UVWLMQZQDXIYDV-WDEREUQCSA-N 0 2 285.731 3.013 20 5 CGBDLN O=C(NCCC1CCCCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000128252468 287306757 /nfs/dbraw/zinc/30/67/57/287306757.db2.gz WCVKEXPNOXNHMI-UHFFFAOYSA-N 0 2 292.335 3.001 20 5 CGBDLN CCC1(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCCCC1 ZINC000389885253 328960768 /nfs/dbraw/zinc/96/07/68/328960768.db2.gz LMAQRYKWMZZLJK-UHFFFAOYSA-N 0 2 292.335 3.143 20 5 CGBDLN O=[N+]([O-])c1ccc(O)cc1-c1nc2cc(F)c(F)cc2[nH]1 ZINC001250854352 805787834 /nfs/dbraw/zinc/78/78/34/805787834.db2.gz RKSMLNWGMQQVMB-UHFFFAOYSA-N 0 2 291.213 3.122 20 5 CGBDLN CCCC[C@H](CCC)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001294375602 809467196 /nfs/dbraw/zinc/46/71/96/809467196.db2.gz DQLWOJNRUIJZDM-NSHDSACASA-N 0 2 294.351 3.389 20 5 CGBDLN Cc1cnc(F)c([C@H](C)Oc2cccc(O)c2[N+](=O)[O-])c1 ZINC001225626288 817118481 /nfs/dbraw/zinc/11/84/81/817118481.db2.gz PQODTOFYUQZVCG-VIFPVBQESA-N 0 2 292.266 3.283 20 5 CGBDLN Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1F ZINC000154023958 232216329 /nfs/dbraw/zinc/21/63/29/232216329.db2.gz FALUFJDUQLFUFY-UHFFFAOYSA-N 0 2 290.250 3.000 20 5 CGBDLN O=C(Nc1ccc2[nH]ccc2c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000164103843 232259867 /nfs/dbraw/zinc/25/98/67/232259867.db2.gz PWKULYFCOPEEPT-UHFFFAOYSA-N 0 2 297.270 3.034 20 5 CGBDLN C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000594725266 347214360 /nfs/dbraw/zinc/21/43/60/347214360.db2.gz XTMBMBALHMSCFJ-DOMZBBRYSA-N 0 2 291.395 3.118 20 5 CGBDLN CCC[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])C(C)(C)C ZINC000456123370 374502144 /nfs/dbraw/zinc/50/21/44/374502144.db2.gz XGSDWVBRJRNQNM-GFCCVEGCSA-N 0 2 294.351 3.245 20 5 CGBDLN CC(C)(C)CCc1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000508608749 375752787 /nfs/dbraw/zinc/75/27/87/375752787.db2.gz LVXVLRDHSQLLBJ-UHFFFAOYSA-N 0 2 291.307 3.329 20 5 CGBDLN CC1(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)CCCC1 ZINC000362963384 382167809 /nfs/dbraw/zinc/16/78/09/382167809.db2.gz LUFZUKGRCNJNKZ-UHFFFAOYSA-N 0 2 278.308 3.209 20 5 CGBDLN CCCC[C@H](C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000282684593 195680413 /nfs/dbraw/zinc/68/04/13/195680413.db2.gz IONOYXTVMMWAIW-VIFPVBQESA-N 0 2 266.297 3.065 20 5 CGBDLN CC(C)=CCC[C@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000452543251 394081754 /nfs/dbraw/zinc/08/17/54/394081754.db2.gz PMDCXFPHUIMTGD-NSHDSACASA-N 0 2 292.335 3.165 20 5 CGBDLN C[C@H](CC1CCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000536300146 288477550 /nfs/dbraw/zinc/47/75/50/288477550.db2.gz BYIOGHWUJBZQAR-SNVBAGLBSA-N 0 2 292.335 3.455 20 5 CGBDLN CC(C)(C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)C1CCCC1 ZINC000166186045 321906764 /nfs/dbraw/zinc/90/67/64/321906764.db2.gz NAGIJFZLVIDXMI-UHFFFAOYSA-N 0 2 292.335 3.455 20 5 CGBDLN COc1cc2nc(-c3cc(O)ccc3[N+](=O)[O-])[nH]c2cc1C ZINC001250853893 805788008 /nfs/dbraw/zinc/78/80/08/805788008.db2.gz JAIIERWJTVLKDZ-UHFFFAOYSA-N 0 2 299.286 3.161 20 5 CGBDLN Cc1cc2nc(-c3cc(O)ccc3[N+](=O)[O-])[nH]c2cc1C ZINC001250854289 805788536 /nfs/dbraw/zinc/78/85/36/805788536.db2.gz PDLPCDQWYKKUKG-UHFFFAOYSA-N 0 2 283.287 3.461 20 5 CGBDLN CC(=O)c1ccc(F)c(Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC001210399727 814445662 /nfs/dbraw/zinc/44/56/62/814445662.db2.gz ZGNXKKYGJBCQBK-UHFFFAOYSA-N 0 2 290.250 3.386 20 5 CGBDLN Cc1cccc(-c2noc(-c3c(O)cccc3[N+](=O)[O-])n2)c1 ZINC001216845407 815898416 /nfs/dbraw/zinc/89/84/16/815898416.db2.gz NBGJRGVUWMSJKD-UHFFFAOYSA-N 0 2 297.270 3.326 20 5 CGBDLN C[C@H](COc1ccccc1)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225620758 817116015 /nfs/dbraw/zinc/11/60/15/817116015.db2.gz UJNWNLUKEQDWPI-LLVKDONJSA-N 0 2 289.287 3.147 20 5 CGBDLN C[C@H](Oc1cccc(O)c1[N+](=O)[O-])c1cnc2ccccn21 ZINC001225624400 817117216 /nfs/dbraw/zinc/11/72/16/817117216.db2.gz XTKJIDLSHJCFAR-JTQLQIEISA-N 0 2 299.286 3.088 20 5 CGBDLN CCCCC[C@H](C)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228969721 932060885 /nfs/dbraw/zinc/06/08/85/932060885.db2.gz ATWCDNOJAVQUMZ-VIFPVBQESA-N 0 2 269.297 3.354 20 5 CGBDLN C[C@@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])c1ccccc1F ZINC001228971369 932061263 /nfs/dbraw/zinc/06/12/63/932061263.db2.gz OFVQODPGEORCRJ-MRVPVSSYSA-N 0 2 293.250 3.285 20 5 CGBDLN CC[C@H](C)CSCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000124368504 187134509 /nfs/dbraw/zinc/13/45/09/187134509.db2.gz VHUHZZRFCNAPFJ-JTQLQIEISA-N 0 2 282.365 3.313 20 5 CGBDLN CC(C)(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092548874 345844518 /nfs/dbraw/zinc/84/45/18/345844518.db2.gz SECBLSKSOQPWMA-UHFFFAOYSA-N 0 2 266.297 3.065 20 5 CGBDLN CCN(C(=O)c1cc([N+](=O)[O-])ccc1O)C1CCCCC1 ZINC000179417547 189193217 /nfs/dbraw/zinc/19/32/17/189193217.db2.gz LTRRMVKCJKNECA-UHFFFAOYSA-N 0 2 292.335 3.095 20 5 CGBDLN C[C@@H]1CCCC[C@@H]1CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000539970471 376350376 /nfs/dbraw/zinc/35/03/76/376350376.db2.gz DGCFEQPBKPZSOQ-GHMZBOCLSA-N 0 2 292.335 3.455 20 5 CGBDLN CC(C)(CC(=O)Nc1cc([N+](=O)[O-])ccc1O)C1CC1 ZINC000343868845 378118718 /nfs/dbraw/zinc/11/87/18/378118718.db2.gz AVXJVNNXKIXOOM-UHFFFAOYSA-N 0 2 278.308 3.065 20 5 CGBDLN C[C@H]1CC(C(=O)Nc2cc([N+](=O)[O-])ccc2O)C[C@H](C)C1 ZINC000357404712 381147717 /nfs/dbraw/zinc/14/77/17/381147717.db2.gz NHEBKPRPZZSVSX-NXEZZACHSA-N 0 2 292.335 3.311 20 5 CGBDLN CCCC[C@H](CC)CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000029709601 286883245 /nfs/dbraw/zinc/88/32/45/286883245.db2.gz KBGNPVFLZAENPT-NSHDSACASA-N 0 2 294.351 3.247 20 5 CGBDLN CC(C)CCSCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092545904 165301082 /nfs/dbraw/zinc/30/10/82/165301082.db2.gz SNPGEJXATMCKOK-UHFFFAOYSA-N 0 2 298.364 3.018 20 5 CGBDLN CCC[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)C(C)C ZINC000166091179 321906962 /nfs/dbraw/zinc/90/69/62/321906962.db2.gz CEEBDEVSRBPHOT-LLVKDONJSA-N 0 2 280.324 3.311 20 5 CGBDLN CC[C@@H]1CCCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000476499483 535818670 /nfs/dbraw/zinc/81/86/70/535818670.db2.gz LFCNFKWADJVGPC-PWSUYJOCSA-N 0 2 292.335 3.455 20 5 CGBDLN Cc1ccc2[nH]c(-c3cc([N+](=O)[O-])ccc3O)nc2c1F ZINC001251046767 805835376 /nfs/dbraw/zinc/83/53/76/805835376.db2.gz ZVHSWIAPQBDXTB-UHFFFAOYSA-N 0 2 287.250 3.291 20 5 CGBDLN Cc1cc(F)cc2[nH]c(-c3cc(O)cc([N+](=O)[O-])c3)nc21 ZINC001251385985 805890373 /nfs/dbraw/zinc/89/03/73/805890373.db2.gz OHBXOHGZCIWIDG-UHFFFAOYSA-N 0 2 287.250 3.291 20 5 CGBDLN CCCCC1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC1 ZINC001153454560 805399147 /nfs/dbraw/zinc/39/91/47/805399147.db2.gz AAJMVXUUQAMJDX-UHFFFAOYSA-N 0 2 278.308 3.209 20 5 CGBDLN C[C@H](Oc1cccc(O)c1[N+](=O)[O-])c1ccccc1 ZINC001225622241 817116717 /nfs/dbraw/zinc/11/67/17/817116717.db2.gz GSQCIWIHFDBYIR-JTQLQIEISA-N 0 2 259.261 3.440 20 5 CGBDLN O=[N+]([O-])c1c(O)cc(O)cc1O[C@H]1CCc2ccccc21 ZINC001228968740 932061622 /nfs/dbraw/zinc/06/16/22/932061622.db2.gz ORDHKOLKLLZPSZ-ZDUSSCGKSA-N 0 2 287.271 3.072 20 5 CGBDLN C[C@H](Cc1ccccc1)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228971616 932062267 /nfs/dbraw/zinc/06/22/67/932062267.db2.gz RCBRHGWWROGEQN-SNVBAGLBSA-N 0 2 289.287 3.016 20 5 CGBDLN CCCCS[C@@H](C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183901297 189371018 /nfs/dbraw/zinc/37/10/18/189371018.db2.gz UXQOLRILZLBNSN-VIFPVBQESA-N 0 2 298.364 3.161 20 5 CGBDLN O=C(Nc1ccc2ccoc2c1)c1ccc([N+](=O)[O-])cc1O ZINC000442934674 373129740 /nfs/dbraw/zinc/12/97/40/373129740.db2.gz LJRMNIPBLRZAPF-UHFFFAOYSA-N 0 2 298.254 3.299 20 5 CGBDLN O=C(Nc1ccc2ccoc2c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000442935803 373129813 /nfs/dbraw/zinc/12/98/13/373129813.db2.gz VNWLNDKRXJQPEU-UHFFFAOYSA-N 0 2 298.254 3.299 20 5 CGBDLN Cc1cccc(F)c1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000184046049 374486414 /nfs/dbraw/zinc/48/64/14/374486414.db2.gz KNFCOQVOXRYHHO-UHFFFAOYSA-N 0 2 290.250 3.000 20 5 CGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1csc(Cl)c1 ZINC000188645169 375246331 /nfs/dbraw/zinc/24/63/31/375246331.db2.gz BZGCLKHGRWLNHX-UHFFFAOYSA-N 0 2 298.707 3.268 20 5 CGBDLN Cc1ccc(C)c(NC(=O)c2cccc(O)c2[N+](=O)[O-])c1 ZINC000346824877 218023743 /nfs/dbraw/zinc/02/37/43/218023743.db2.gz LIYLKGNPIWALDD-UHFFFAOYSA-N 0 2 286.287 3.170 20 5 CGBDLN Cc1ccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])cc1F ZINC000354290018 380388291 /nfs/dbraw/zinc/38/82/91/380388291.db2.gz OPVLBTLSIZERDF-UHFFFAOYSA-N 0 2 290.250 3.000 20 5 CGBDLN O=[N+]([O-])c1ccc(-c2nc3c(ccc(F)c3F)[nH]2)cc1O ZINC000355424723 380671438 /nfs/dbraw/zinc/67/14/38/380671438.db2.gz SWAFXOYGIHQMNE-UHFFFAOYSA-N 0 2 291.213 3.122 20 5 CGBDLN Cc1ccc(F)c(NC(=O)c2cccc(O)c2[N+](=O)[O-])c1 ZINC000357340258 381114167 /nfs/dbraw/zinc/11/41/67/381114167.db2.gz AEWVJFQFUCRSRR-UHFFFAOYSA-N 0 2 290.250 3.000 20 5 CGBDLN CC(C)CN(CC(C)C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000281006343 195066763 /nfs/dbraw/zinc/06/67/63/195066763.db2.gz RUHSVDVOSVYLLY-UHFFFAOYSA-N 0 2 294.351 3.055 20 5 CGBDLN CC(C)C[C@H](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000356292871 393411211 /nfs/dbraw/zinc/41/12/11/393411211.db2.gz KESPCZHJSSTFMH-JTQLQIEISA-N 0 2 280.324 3.311 20 5 CGBDLN Cc1ccc([C@@H](C)Oc2cccc(O)c2[N+](=O)[O-])cn1 ZINC001225619617 817115685 /nfs/dbraw/zinc/11/56/85/817115685.db2.gz FKTPKPGWTAEHFX-SNVBAGLBSA-N 0 2 274.276 3.144 20 5 CGBDLN Cc1ccc([C@H](C)Oc2cc(O)cc(O)c2[N+](=O)[O-])cc1 ZINC001228974093 932063266 /nfs/dbraw/zinc/06/32/66/932063266.db2.gz PIBJWMVICOYIBC-JTQLQIEISA-N 0 2 289.287 3.454 20 5 CGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCCC2(CC2)C1 ZINC000597491080 347578470 /nfs/dbraw/zinc/57/84/70/347578470.db2.gz FSCVVBSDWMPFFU-SNVBAGLBSA-N 0 2 290.319 3.209 20 5 CGBDLN CCCC(CCC)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166115723 321906576 /nfs/dbraw/zinc/90/65/76/321906576.db2.gz VPCAZXRMSBNSOY-UHFFFAOYSA-N 0 2 280.324 3.455 20 5 CGBDLN C[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)c1ccsc1 ZINC000346653893 378662767 /nfs/dbraw/zinc/66/27/67/378662767.db2.gz DKFGROPJLYXKFG-MRVPVSSYSA-N 0 2 292.316 3.104 20 5 CGBDLN CC(C)CC(C)(C)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354018008 380282001 /nfs/dbraw/zinc/28/20/01/380282001.db2.gz NQKCIWVHHGDEOJ-UHFFFAOYSA-N 0 2 294.351 3.103 20 5 CGBDLN O=C(Nc1ccsc1Cl)c1cc(O)ccc1[N+](=O)[O-] ZINC000354998396 380567395 /nfs/dbraw/zinc/56/73/95/380567395.db2.gz DRRQRQNSSUFIHE-UHFFFAOYSA-N 0 2 298.707 3.268 20 5 CGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CC12CCCCC2 ZINC000356293852 393410394 /nfs/dbraw/zinc/41/03/94/393410394.db2.gz MFFUSAWCIDUHFG-NSHDSACASA-N 0 2 290.319 3.209 20 5 CGBDLN Cc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1C ZINC000089531343 165211069 /nfs/dbraw/zinc/21/10/69/165211069.db2.gz MRXTUZRBNBVNRW-UHFFFAOYSA-N 0 2 286.287 3.170 20 5 CGBDLN CCc1cc(C)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)o1 ZINC000092547067 165303465 /nfs/dbraw/zinc/30/34/65/165303465.db2.gz UYMYWXYRUHEQOY-UHFFFAOYSA-N 0 2 290.275 3.017 20 5 CGBDLN CCCC(CCC)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000021027993 171291555 /nfs/dbraw/zinc/29/15/55/171291555.db2.gz KZCONVVIRLBFQU-UHFFFAOYSA-N 0 2 280.324 3.455 20 5 CGBDLN C[C@H]1CCCC[C@H]1CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000548190470 288996692 /nfs/dbraw/zinc/99/66/92/288996692.db2.gz KHNSWTOIXYKTDT-QWRGUYRKSA-N 0 2 292.335 3.455 20 5 CGBDLN CC[C@H](CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1)C(C)C ZINC000166168599 321906502 /nfs/dbraw/zinc/90/65/02/321906502.db2.gz YLXNETOVAZZARI-SNVBAGLBSA-N 0 2 280.324 3.311 20 5 CGBDLN Cc1c2nc(-c3cc(O)ccc3[N+](=O)[O-])[nH]c2ccc1F ZINC001250854779 805787773 /nfs/dbraw/zinc/78/77/73/805787773.db2.gz YFCJMRLRACNYDH-UHFFFAOYSA-N 0 2 287.250 3.291 20 5 CGBDLN O=[N+]([O-])c1ccc(O)cc1-c1nc2c(ccc(F)c2F)[nH]1 ZINC001250852558 805788509 /nfs/dbraw/zinc/78/85/09/805788509.db2.gz BPOAOUAAKMUURM-UHFFFAOYSA-N 0 2 291.213 3.122 20 5 CGBDLN Cc1ccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC001176672540 809740032 /nfs/dbraw/zinc/74/00/32/809740032.db2.gz KUNCDQVULILHLX-UHFFFAOYSA-N 0 2 287.275 3.048 20 5 CGBDLN Cc1ccc(-c2noc(-c3cc(O)ccc3[N+](=O)[O-])n2)cc1 ZINC001216678528 815891957 /nfs/dbraw/zinc/89/19/57/815891957.db2.gz JPRMLGYREJCDIB-UHFFFAOYSA-N 0 2 297.270 3.326 20 5 CGBDLN O=[N+]([O-])c1c(O)cccc1O[C@@H](c1cccnc1)C1CC1 ZINC001225619807 817115071 /nfs/dbraw/zinc/11/50/71/817115071.db2.gz JDYQXRAZGGMEAK-OAHLLOKOSA-N 0 2 286.287 3.226 20 5 CGBDLN CC(C)=CCC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001468196280 937725422 /nfs/dbraw/zinc/72/54/22/937725422.db2.gz UENHCOSKHXJTMW-LLVKDONJSA-N 0 2 292.335 3.165 20 5 CGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CC2CCC1CC2 ZINC000346327396 304003248 /nfs/dbraw/zinc/00/32/48/304003248.db2.gz PHTULMXKPSRLND-CBINBANVSA-N 0 2 290.319 3.065 20 5 CGBDLN Cc1ccc(F)cc1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000235776776 376650236 /nfs/dbraw/zinc/65/02/36/376650236.db2.gz KXHCRONLQUGHEY-UHFFFAOYSA-N 0 2 290.250 3.000 20 5 CGBDLN Cc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1F ZINC000235895208 376652460 /nfs/dbraw/zinc/65/24/60/376652460.db2.gz MWMFLBLMAYHQHK-UHFFFAOYSA-N 0 2 290.250 3.000 20 5 CGBDLN O=C(Nc1ccc2[nH]ccc2c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000346151941 378482419 /nfs/dbraw/zinc/48/24/19/378482419.db2.gz OKOTYJGVSBEWQB-UHFFFAOYSA-N 0 2 297.270 3.034 20 5 CGBDLN CCC(CC)N(C(=O)c1ccc([N+](=O)[O-])cc1O)C1CC1 ZINC000548121620 393176393 /nfs/dbraw/zinc/17/63/93/393176393.db2.gz TUMWQEVZCYTWOX-UHFFFAOYSA-N 0 2 292.335 3.094 20 5 CGBDLN Cc1cc(F)cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000437000375 533838007 /nfs/dbraw/zinc/83/80/07/533838007.db2.gz NJHUPGGCNPHVSZ-UHFFFAOYSA-N 0 2 290.250 3.000 20 5 CGBDLN CCCC(C)(C)CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000427464073 527983061 /nfs/dbraw/zinc/98/30/61/527983061.db2.gz HWIPTYGVKDDNQY-UHFFFAOYSA-N 0 2 280.324 3.455 20 5 CGBDLN COc1cc([N+](=O)[O-])cc(-c2nc3cccc(C)c3[nH]2)c1O ZINC001250820825 805782589 /nfs/dbraw/zinc/78/25/89/805782589.db2.gz RJWMIJVJBBAREX-UHFFFAOYSA-N 0 2 299.286 3.161 20 5 CGBDLN Cc1ccc(-c2nnc(CCC(C)C)o2)c([N+](=O)[O-])c1O ZINC001258356788 807426228 /nfs/dbraw/zinc/42/62/28/807426228.db2.gz LJBZZOCHVGYEDK-UHFFFAOYSA-N 0 2 291.307 3.247 20 5 CGBDLN O=[N+]([O-])c1ccc(O)cc1-c1nnc(CC2CCCC2)o1 ZINC001258691372 807547468 /nfs/dbraw/zinc/54/74/68/807547468.db2.gz WXSRSXBRQUJGSJ-UHFFFAOYSA-N 0 2 289.291 3.083 20 5 CGBDLN Cc1cc(C)c(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c[nH+]1 ZINC001176673918 809741087 /nfs/dbraw/zinc/74/10/87/809741087.db2.gz CEFJTKMYUNGVLR-UHFFFAOYSA-N 0 2 287.275 3.048 20 5 CGBDLN O=[N+]([O-])c1cccc(O)c1-c1nc(-c2ccccc2)no1 ZINC001216845186 815898701 /nfs/dbraw/zinc/89/87/01/815898701.db2.gz BFJODETZURXVMS-UHFFFAOYSA-N 0 2 283.243 3.017 20 5 CGBDLN CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C(C)(C)C ZINC001449777429 937381257 /nfs/dbraw/zinc/38/12/57/937381257.db2.gz ARDJJBKKGCBEHC-ZDUSSCGKSA-N 0 2 294.351 3.245 20 5 CGBDLN CCCC[C@@H](CC)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228971239 932061150 /nfs/dbraw/zinc/06/11/50/932061150.db2.gz MNKYSPAUZBDOHT-SNVBAGLBSA-N 0 2 269.297 3.354 20 5 CGBDLN C[C@@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])c1cccs1 ZINC001228968537 932061365 /nfs/dbraw/zinc/06/13/65/932061365.db2.gz KPAVOBLZXYLEKN-SSDOTTSWSA-N 0 2 281.289 3.208 20 5 CGBDLN C[C@@H]1CC[C@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C[C@@H]1C ZINC001228971887 932062710 /nfs/dbraw/zinc/06/27/10/932062710.db2.gz SNIHWXFHEVEFBI-YWVKMMECSA-N 0 2 281.308 3.210 20 5 CGBDLN Cc1cc(C)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)s1 ZINC001466629098 937710924 /nfs/dbraw/zinc/71/09/24/937710924.db2.gz QNJJGJRXTZUVRI-UHFFFAOYSA-N 0 2 292.316 3.231 20 5 CGBDLN C[C@@H]1CC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C[C@@H]1C ZINC001466628961 937710954 /nfs/dbraw/zinc/71/09/54/937710954.db2.gz MDTQIEXNCJCBGU-OUAUKWLOSA-N 0 2 292.335 3.311 20 5 CGBDLN O=[N+]([O-])c1cc(-c2nc3cc(F)c(F)cc3[nH]2)ccc1O ZINC000048878167 345069371 /nfs/dbraw/zinc/06/93/71/345069371.db2.gz JHFOLGHMLYGERS-UHFFFAOYSA-N 0 2 291.213 3.122 20 5 CGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCCC2(CC2)C1 ZINC000597491079 347578568 /nfs/dbraw/zinc/57/85/68/347578568.db2.gz FSCVVBSDWMPFFU-JTQLQIEISA-N 0 2 290.319 3.209 20 5 CGBDLN CC(C)N(C(=O)c1cc([N+](=O)[O-])ccc1O)C1CCCC1 ZINC000181980097 189311472 /nfs/dbraw/zinc/31/14/72/189311472.db2.gz LBHSVLOGDPRNCF-UHFFFAOYSA-N 0 2 292.335 3.094 20 5 CGBDLN C[C@H]1CCCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000424757537 372097982 /nfs/dbraw/zinc/09/79/82/372097982.db2.gz UKUNZNOQKWXCLX-ONGXEEELSA-N 0 2 278.308 3.065 20 5 CGBDLN C[C@H]1CC[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000180769920 374044865 /nfs/dbraw/zinc/04/48/65/374044865.db2.gz PTKWPYXFQZVYOE-VHSXEESVSA-N 0 2 278.308 3.065 20 5 CGBDLN C[C@H]1c2ccccc2CN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000341636220 377610440 /nfs/dbraw/zinc/61/04/40/377610440.db2.gz KXVMOFGIXHQXBZ-JTQLQIEISA-N 0 2 298.298 3.017 20 5 CGBDLN CCC(C)(C)CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000361659286 392286681 /nfs/dbraw/zinc/28/66/81/392286681.db2.gz ZNRQCRDHLPJKOZ-UHFFFAOYSA-N 0 2 266.297 3.065 20 5 CGBDLN CCCCCc1nnc(-c2cc(O)ccc2[N+](=O)[O-])o1 ZINC001256137385 806831616 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C[C@@H]1CC[C@@H](C)[C@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C1 ZINC001228971555 932062980 /nfs/dbraw/zinc/06/29/80/932062980.db2.gz QHAQVIVDWUUTRD-KBVBSXBZSA-N 0 2 281.308 3.210 20 5 CGBDLN C[C@@H]1CCC[C@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])[C@@H]1C ZINC001228972806 932063306 /nfs/dbraw/zinc/06/33/06/932063306.db2.gz DAOHGCOPPXROHW-LNLATYFQSA-N 0 2 281.308 3.210 20 5 CGBDLN CC[C@H](C)n1nc(Nc2sccc2[N+](=O)[O-])cc1C ZINC000611415475 348450070 /nfs/dbraw/zinc/45/00/70/348450070.db2.gz FGFRWDCAHPNRDU-QMMMGPOBSA-N 0 2 280.353 3.298 20 5 CGBDLN O=C(CCC1CCCC1)Nc1cc([N+](=O)[O-])ccc1O ZINC000120867714 370808530 /nfs/dbraw/zinc/80/85/30/370808530.db2.gz BGPPIDLTOQUUKC-UHFFFAOYSA-N 0 2 278.308 3.209 20 5 CGBDLN CC[C@@H](CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1)C(C)C ZINC000166168482 372566033 /nfs/dbraw/zinc/56/60/33/372566033.db2.gz YLXNETOVAZZARI-JTQLQIEISA-N 0 2 280.324 3.311 20 5 CGBDLN O=C(Nc1ccc2ccoc2c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000442936543 373129785 /nfs/dbraw/zinc/12/97/85/373129785.db2.gz UEFSDSBXIQSUNW-UHFFFAOYSA-N 0 2 298.254 3.299 20 5 CGBDLN CCCC[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000311328761 374236668 /nfs/dbraw/zinc/23/66/68/374236668.db2.gz FNDWLKAXAYCZEP-SECBINFHSA-N 0 2 266.297 3.065 20 5 CGBDLN CC[C@H](C)CON=c1[nH]cc(Cl)cc1[N+](=O)[O-] ZINC000291852753 392493080 /nfs/dbraw/zinc/49/30/80/392493080.db2.gz MNHHSMJXXICCCF-ZETCQYMHSA-N 0 2 259.693 3.033 20 5 CGBDLN CC(C)(C)C(C)(C)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000554378760 289279485 /nfs/dbraw/zinc/27/94/85/289279485.db2.gz HMFQSEKWWIJHFD-UHFFFAOYSA-N 0 2 294.351 3.103 20 5 CGBDLN C[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)C(C)(C)C ZINC000221013851 333171936 /nfs/dbraw/zinc/17/19/36/333171936.db2.gz VQSZQDPKQAUXSM-SECBINFHSA-N 0 2 280.324 3.311 20 5 CGBDLN CC[C@H](C)CONc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000848711475 636639120 /nfs/dbraw/zinc/63/91/20/636639120.db2.gz NTSVEPUAXRMUSO-JTQLQIEISA-N 0 2 283.328 3.167 20 5 CGBDLN Cc1ccc(-c2nnc(-c3cc(O)ccc3[N+](=O)[O-])o2)cc1 ZINC001252690957 806103382 /nfs/dbraw/zinc/10/33/82/806103382.db2.gz PBNZDKUBEVDXMJ-UHFFFAOYSA-N 0 2 297.270 3.326 20 5 CGBDLN COc1ccccc1[C@H](C)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225621759 817117383 /nfs/dbraw/zinc/11/73/83/817117383.db2.gz CVEBFXIMRBXITQ-JTQLQIEISA-N 0 2 289.287 3.449 20 5 CGBDLN CCc1ccccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000164089566 529600184 /nfs/dbraw/zinc/60/01/84/529600184.db2.gz GACWZELFKFBBAX-UHFFFAOYSA-N 0 2 286.287 3.115 20 5 CGBDLN CCC(C)(CC)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166166655 346186281 /nfs/dbraw/zinc/18/62/81/346186281.db2.gz QTUDBGLRCHMXNV-UHFFFAOYSA-N 0 2 266.297 3.065 20 5 CGBDLN CCC(CC)(CC)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000614271972 348664061 /nfs/dbraw/zinc/66/40/61/348664061.db2.gz OMCOBNJUYDAWCB-UHFFFAOYSA-N 0 2 280.324 3.455 20 5 CGBDLN CC(C)CCC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000025345816 368844859 /nfs/dbraw/zinc/84/48/59/368844859.db2.gz QQCZQGWAECITRX-NSHDSACASA-N 0 2 294.351 3.245 20 5 CGBDLN CC(C)(CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1)C1CC1 ZINC000293542343 372406612 /nfs/dbraw/zinc/40/66/12/372406612.db2.gz SEDUKEJSWMMPOX-UHFFFAOYSA-N 0 2 278.308 3.065 20 5 CGBDLN CC(C)C[C@@H](C)CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166183877 372566406 /nfs/dbraw/zinc/56/64/06/372566406.db2.gz DMXVYJRUGQJPEE-SNVBAGLBSA-N 0 2 280.324 3.311 20 5 CGBDLN CCN(Cc1c(F)cc([N+](=O)[O-])cc1F)CC(F)(F)F ZINC000286428474 380211443 /nfs/dbraw/zinc/21/14/43/380211443.db2.gz MVNJKZWGNFEIBK-UHFFFAOYSA-N 0 2 298.211 3.257 20 5 CGBDLN CC[C@H](C)CCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000354620216 380503395 /nfs/dbraw/zinc/50/33/95/380503395.db2.gz MNLJUKWSKRPLPM-VIFPVBQESA-N 0 2 266.297 3.065 20 5 CGBDLN O=[N+]([O-])c1ccc(-c2nc(-c3ccsc3)no2)cc1O ZINC000189929816 304801749 /nfs/dbraw/zinc/80/17/49/304801749.db2.gz FATDCIWSKRPMOW-UHFFFAOYSA-N 0 2 289.272 3.079 20 5 CGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc2[nH]ccc21 ZINC000092545858 287112829 /nfs/dbraw/zinc/11/28/29/287112829.db2.gz BSWXFVBZBRKADO-UHFFFAOYSA-N 0 2 297.270 3.034 20 5 CGBDLN CC[C@@H]1CCC[C@]1(C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001295973098 809497397 /nfs/dbraw/zinc/49/73/97/809497397.db2.gz RVTXTQSZEAZELC-BMIGLBTASA-N 0 2 292.335 3.455 20 5 CGBDLN CC[C@@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])C(C)(C)C ZINC001228970582 932061045 /nfs/dbraw/zinc/06/10/45/932061045.db2.gz IFCBSZFVNLKSBF-LLVKDONJSA-N 0 2 269.297 3.210 20 5 CGBDLN Cc1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)ccc1F ZINC000160257219 232244113 /nfs/dbraw/zinc/24/41/13/232244113.db2.gz UGNUIQHJFAUFJG-UHFFFAOYSA-N 0 2 290.250 3.000 20 5 CGBDLN O=C(Nc1cccc2[nH]ccc21)c1ccc([N+](=O)[O-])c(O)c1 ZINC000171274548 346205693 /nfs/dbraw/zinc/20/56/93/346205693.db2.gz YQJZGYPFPREYFV-UHFFFAOYSA-N 0 2 297.270 3.034 20 5 CGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1CCC2(CC2)CC1 ZINC000597440718 347575549 /nfs/dbraw/zinc/57/55/49/347575549.db2.gz CMVACQAVPOIGBV-UHFFFAOYSA-N 0 2 290.319 3.209 20 5 CGBDLN CC[C@H]1CCCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000476499481 243015349 /nfs/dbraw/zinc/01/53/49/243015349.db2.gz LFCNFKWADJVGPC-CMPLNLGQSA-N 0 2 292.335 3.455 20 5 CGBDLN Cc1ccccc1-c1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000478972029 243090210 /nfs/dbraw/zinc/09/02/10/243090210.db2.gz PBNJWJJNECSQOW-UHFFFAOYSA-N 0 2 297.270 3.326 20 5 CGBDLN O=C(CCC1CCCC1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183896743 374470734 /nfs/dbraw/zinc/47/07/34/374470734.db2.gz LKDQICMITRZXGQ-UHFFFAOYSA-N 0 2 278.308 3.209 20 5 CGBDLN O=C(NC1CCCCCCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000280722190 379772395 /nfs/dbraw/zinc/77/23/95/379772395.db2.gz HRDVWKGLDHSNRE-UHFFFAOYSA-N 0 2 292.335 3.143 20 5 CGBDLN CC[C@@H]1CCCCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182039801 392741912 /nfs/dbraw/zinc/74/19/12/392741912.db2.gz GLFJHNFFHSDNEQ-LLVKDONJSA-N 0 2 292.335 3.095 20 5 CGBDLN CCCCN(CCCC)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000070870677 165065931 /nfs/dbraw/zinc/06/59/31/165065931.db2.gz WHUAWQIQCTUAJK-UHFFFAOYSA-N 0 2 294.351 3.343 20 5 CGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1csc(Cl)c1 ZINC000190590217 270073556 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C[C@H]1CCC[C@@H]1CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000186010883 374785589 /nfs/dbraw/zinc/78/55/89/374785589.db2.gz RZWOOCIKQMUHHH-VHSXEESVSA-N 0 2 278.308 3.065 20 5 CGBDLN O=[N+]([O-])c1ccc(-c2nc(-c3cccs3)no2)cc1O ZINC000189929350 375460585 /nfs/dbraw/zinc/46/05/85/375460585.db2.gz RHISTALFIIXZIK-UHFFFAOYSA-N 0 2 289.272 3.079 20 5 CGBDLN Cc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1C ZINC000235895122 376651964 /nfs/dbraw/zinc/65/19/64/376651964.db2.gz LNIZSUDNCTVCJA-UHFFFAOYSA-N 0 2 286.287 3.170 20 5 CGBDLN Cc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1F ZINC000092547016 249034151 /nfs/dbraw/zinc/03/41/51/249034151.db2.gz PTDJBSNPCUPSKW-UHFFFAOYSA-N 0 2 290.250 3.000 20 5 CGBDLN C[C@@H](CCC(C)(C)C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000353003289 380070483 /nfs/dbraw/zinc/07/04/83/380070483.db2.gz LPBCZGMLRCLEKY-JTQLQIEISA-N 0 2 294.351 3.245 20 5 CGBDLN Cc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1C ZINC000115659733 287155299 /nfs/dbraw/zinc/15/52/99/287155299.db2.gz RBMIYIGWJXWFTD-UHFFFAOYSA-N 0 2 286.287 3.170 20 5 CGBDLN CC[C@H]1CC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC1 ZINC000328382618 270095369 /nfs/dbraw/zinc/09/53/69/270095369.db2.gz ZKTPFTHFKVUINT-XYPYZODXSA-N 0 2 292.335 3.455 20 5 CGBDLN O=C(/C=C\c1cccs1)Nc1cc([N+](=O)[O-])ccc1O ZINC000255557208 618180400 /nfs/dbraw/zinc/18/04/00/618180400.db2.gz HMZBTVFVOMCXJN-XQRVVYSFSA-N 0 2 290.300 3.014 20 5 CGBDLN CCCC[C@](C)(F)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000831243516 633933265 /nfs/dbraw/zinc/93/32/65/633933265.db2.gz KMVGOVNDDIXVMC-ZDUSSCGKSA-N 0 2 284.287 3.157 20 5 CGBDLN CCn1c2ccccc2nc1-c1cc(O)ccc1[N+](=O)[O-] ZINC001250854657 805788555 /nfs/dbraw/zinc/78/85/55/805788555.db2.gz WBPUBNTYQWEAIC-UHFFFAOYSA-N 0 2 283.287 3.337 20 5 CGBDLN CC1(C)CC(Oc2cccc(O)c2[N+](=O)[O-])CC(C)(C)O1 ZINC001225619690 817115434 /nfs/dbraw/zinc/11/54/34/817115434.db2.gz HFHXJBIUYHYADF-UHFFFAOYSA-N 0 2 295.335 3.415 20 5 CGBDLN CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C(C)(C)C ZINC001449777426 937381363 /nfs/dbraw/zinc/38/13/63/937381363.db2.gz ARDJJBKKGCBEHC-CYBMUJFWSA-N 0 2 294.351 3.245 20 5 CGBDLN CSc1cccnc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC001452823486 937398793 /nfs/dbraw/zinc/39/87/93/937398793.db2.gz RXRGIMBTSSVDGJ-UHFFFAOYSA-N 0 2 295.345 3.026 20 5 CGBDLN C[C@@H]1CC[C@H](C)[C@@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C1 ZINC001228971557 932062288 /nfs/dbraw/zinc/06/22/88/932062288.db2.gz QHAQVIVDWUUTRD-PTRXPTGYSA-N 0 2 281.308 3.210 20 5 CGBDLN C[C@H]1CCC[C@H](C)C1Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228973550 932062963 /nfs/dbraw/zinc/06/29/63/932062963.db2.gz LBUXPZHJNGHONX-IUCAKERBSA-N 0 2 281.308 3.210 20 5 CGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1C[C@@H]1C1CCCC1 ZINC000593551942 347091144 /nfs/dbraw/zinc/09/11/44/347091144.db2.gz CEHXMSLWVGTLQV-VXGBXAGGSA-N 0 2 290.319 3.065 20 5 CGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1C[C@H]1C1CCCC1 ZINC000593595976 347093473 /nfs/dbraw/zinc/09/34/73/347093473.db2.gz MMMYPSONCYCZCI-NWDGAFQWSA-N 0 2 290.319 3.065 20 5 CGBDLN C[C@H](CN(C)C(=O)c1ccc([N+](=O)[O-])cc1O)C(C)(C)C ZINC000602218602 347941376 /nfs/dbraw/zinc/94/13/76/347941376.db2.gz QWQMTQIRMZHUMT-SNVBAGLBSA-N 0 2 294.351 3.055 20 5 CGBDLN CCc1ccsc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000180763954 374045015 /nfs/dbraw/zinc/04/50/15/374045015.db2.gz QTCUCVBUPHXHBX-UHFFFAOYSA-N 0 2 292.316 3.177 20 5 CGBDLN CC(C)(C)C(C)(C)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000314545534 374319074 /nfs/dbraw/zinc/31/90/74/374319074.db2.gz OCHAFTMBLXIWHK-UHFFFAOYSA-N 0 2 294.351 3.103 20 5 CGBDLN C[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)c1cccs1 ZINC000183919531 374473690 /nfs/dbraw/zinc/47/36/90/374473690.db2.gz VFLAKLGERUOQME-MRVPVSSYSA-N 0 2 292.316 3.104 20 5 CGBDLN Cc1ccc(F)c(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000184609887 374541380 /nfs/dbraw/zinc/54/13/80/374541380.db2.gz BDOXPDUZQXGVKW-UHFFFAOYSA-N 0 2 290.250 3.000 20 5 CGBDLN C[C@@H]1CCC[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000536298472 376085748 /nfs/dbraw/zinc/08/57/48/376085748.db2.gz 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CC[C@H](CC(C)C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000450540252 394012899 /nfs/dbraw/zinc/01/28/99/394012899.db2.gz NAXSCMVZUXEWCJ-SNVBAGLBSA-N 0 2 280.324 3.311 20 5 CGBDLN Cc1cc(F)ccc1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000235777948 224693091 /nfs/dbraw/zinc/69/30/91/224693091.db2.gz FEYPXJYDOYWNQU-UHFFFAOYSA-N 0 2 290.250 3.000 20 5 CGBDLN CCC1CN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 ZINC000335119365 278653770 /nfs/dbraw/zinc/65/37/70/278653770.db2.gz UVIJXJTZMZIKAM-UHFFFAOYSA-N 0 2 276.336 3.002 20 5 CGBDLN CCCCCN(C(=O)c1ccc([N+](=O)[O-])cc1O)C(C)C ZINC000436871969 528161815 /nfs/dbraw/zinc/16/18/15/528161815.db2.gz VMICRGCCTBUQQO-UHFFFAOYSA-N 0 2 294.351 3.341 20 5 CGBDLN CC[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000476621434 536065804 /nfs/dbraw/zinc/06/58/04/536065804.db2.gz AJVFVHIQCIFGSO-JQWIXIFHSA-N 0 2 292.335 3.455 20 5 CGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cscc1Cl ZINC000711511825 800065744 /nfs/dbraw/zinc/06/57/44/800065744.db2.gz PPDZKTSETXIWKM-UHFFFAOYSA-N 0 2 298.707 3.268 20 5 CGBDLN CCCC(=O)[C@H](CCC)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225620791 817115575 /nfs/dbraw/zinc/11/55/75/817115575.db2.gz VHMOTTMWMFGWER-LBPRGKRZSA-N 0 2 281.308 3.217 20 5 CGBDLN O=C(Nc1ccc(Cl)cc1)c1cccc(O)c1[N+](=O)[O-] ZINC000166556163 346186987 /nfs/dbraw/zinc/18/69/87/346186987.db2.gz CMEROSMZJPKHDH-UHFFFAOYSA-N 0 2 292.678 3.206 20 5 CGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CC12CCCCC2 ZINC000361654878 304003490 /nfs/dbraw/zinc/00/34/90/304003490.db2.gz MSCULRWPKJBXHG-NSHDSACASA-N 0 2 290.319 3.209 20 5 CGBDLN CC1(C)CCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000229011263 138505134 /nfs/dbraw/zinc/50/51/34/138505134.db2.gz FOMQJDYEADKISH-JTQLQIEISA-N 0 2 278.308 3.065 20 5 CGBDLN Cc1cc([C@@H](C)Nc2ncc([N+](=O)[O-])c(C)n2)ccc1F ZINC000297546374 200223949 /nfs/dbraw/zinc/22/39/49/200223949.db2.gz QJKMYOBIGFXLKY-SECBINFHSA-N 0 2 290.298 3.314 20 5 CGBDLN C[C@@H]1CCC[C@H](CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1 ZINC000483434596 243285388 /nfs/dbraw/zinc/28/53/88/243285388.db2.gz OHLXZMXNZUSYBK-MNOVXSKESA-N 0 2 292.335 3.455 20 5 CGBDLN CC(C)CCCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000450393849 374099083 /nfs/dbraw/zinc/09/90/83/374099083.db2.gz RCWYLMAXDYRGFH-UHFFFAOYSA-N 0 2 266.297 3.065 20 5 CGBDLN CCCC[C@H](CCC)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000226219720 376342725 /nfs/dbraw/zinc/34/27/25/376342725.db2.gz MJEFAOJUKOMLLV-LBPRGKRZSA-N 0 2 294.351 3.389 20 5 CGBDLN O=C(NCCC1CCCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236560774 376666561 /nfs/dbraw/zinc/66/65/61/376666561.db2.gz DRCILXSPHKFZOC-UHFFFAOYSA-N 0 2 292.335 3.001 20 5 CGBDLN CC1CCC(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)CC1 ZINC000356301092 393414860 /nfs/dbraw/zinc/41/48/60/393414860.db2.gz YKJDVHJKODSPJY-UHFFFAOYSA-N 0 2 292.335 3.455 20 5 CGBDLN CC1(C)CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000356320465 393420468 /nfs/dbraw/zinc/42/04/68/393420468.db2.gz KNYQWMQXQRGGNL-SNVBAGLBSA-N 0 2 292.335 3.455 20 5 CGBDLN CCC(C)(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000356293676 393410784 /nfs/dbraw/zinc/41/07/84/393410784.db2.gz LKLMOMGPAGZINS-UHFFFAOYSA-N 0 2 266.297 3.065 20 5 CGBDLN C[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])c2ccccc21 ZINC000349856654 300188227 /nfs/dbraw/zinc/18/82/27/300188227.db2.gz YDPPFQXYDZZQLE-JTQLQIEISA-N 0 2 298.298 3.064 20 5 CGBDLN CC(C)(C)C1CC(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1 ZINC000457703368 534548425 /nfs/dbraw/zinc/54/84/25/534548425.db2.gz FKBOOMQAQRJLQE-UHFFFAOYSA-N 0 2 292.335 3.311 20 5 CGBDLN C/C(=C/C(C)(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000588505684 799704416 /nfs/dbraw/zinc/70/44/16/799704416.db2.gz IDCCKAWMFOMJSB-HJWRWDBZSA-N 0 2 278.308 3.231 20 5 CGBDLN CCCCCc1nnc(-c2ccc([N+](=O)[O-])cc2O)o1 ZINC001256136671 806831778 /nfs/dbraw/zinc/83/17/78/806831778.db2.gz NZLZQMUDDWKRKN-UHFFFAOYSA-N 0 2 277.280 3.083 20 5 CGBDLN O=C(Nc1ccc2c(c1)CCC2)c1ccc([N+](=O)[O-])cc1O ZINC001135566775 803605294 /nfs/dbraw/zinc/60/52/94/803605294.db2.gz VCWWJJHYJMKZFJ-UHFFFAOYSA-N 0 2 298.298 3.041 20 5 CGBDLN Cc1ccc(-c2nc(-c3ccccc3)no2)c([N+](=O)[O-])c1O ZINC001216856769 815897882 /nfs/dbraw/zinc/89/78/82/815897882.db2.gz NAUVWPJJWAZFBV-UHFFFAOYSA-N 0 2 297.270 3.326 20 5 CGBDLN CCC[C@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])C(C)C ZINC001228972557 932062308 /nfs/dbraw/zinc/06/23/08/932062308.db2.gz YQBGUXDUSXKLHX-NSHDSACASA-N 0 2 269.297 3.210 20 5 CGBDLN O=[N+]([O-])c1c(O)cc(O)cc1O[C@H]1CCC=CCCC1 ZINC001228971382 932062678 /nfs/dbraw/zinc/06/26/78/932062678.db2.gz OMCBUNZIVVHORG-NSHDSACASA-N 0 2 279.292 3.274 20 5 CGBDLN CC(C)CC[C@H](C)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228971828 932063483 /nfs/dbraw/zinc/06/34/83/932063483.db2.gz SAZQRZAWOJYSNP-VIFPVBQESA-N 0 2 269.297 3.210 20 5 CGBDLN CC(C)CCC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001540616647 938132634 /nfs/dbraw/zinc/13/26/34/938132634.db2.gz YNJSIKYDFDSVMK-NSHDSACASA-N 0 2 294.351 3.245 20 5 CGBDLN C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000594725806 347214399 /nfs/dbraw/zinc/21/43/99/347214399.db2.gz XTMBMBALHMSCFJ-IUODEOHRSA-N 0 2 291.395 3.118 20 5 CGBDLN CC(C)=CCC[C@@H](C)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000297055957 200073608 /nfs/dbraw/zinc/07/36/08/200073608.db2.gz WTLIUICHACTWRE-LLVKDONJSA-N 0 2 292.335 3.165 20 5 CGBDLN C[C@@H]1CC[C@H](CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1 ZINC000166193875 372565770 /nfs/dbraw/zinc/56/57/70/372565770.db2.gz FAPJVPDQBSDCGX-ZJUUUORDSA-N 0 2 278.308 3.065 20 5 CGBDLN C[C@@H](CC1CCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000536300144 376085996 /nfs/dbraw/zinc/08/59/96/376085996.db2.gz BYIOGHWUJBZQAR-JTQLQIEISA-N 0 2 292.335 3.455 20 5 CGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1sccc1Cl ZINC000236584351 376667675 /nfs/dbraw/zinc/66/76/75/376667675.db2.gz GQFMDCQJELNJAI-UHFFFAOYSA-N 0 2 298.707 3.268 20 5 CGBDLN C[C@@H]1c2ccccc2CN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000341636223 377610392 /nfs/dbraw/zinc/61/03/92/377610392.db2.gz KXVMOFGIXHQXBZ-SNVBAGLBSA-N 0 2 298.298 3.017 20 5 CGBDLN CCCC1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCC1 ZINC000356299433 393413910 /nfs/dbraw/zinc/41/39/10/393413910.db2.gz VLRBELGCEBNLBP-UHFFFAOYSA-N 0 2 278.308 3.209 20 5 CGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(Cl)c1 ZINC000075283541 165098229 /nfs/dbraw/zinc/09/82/29/165098229.db2.gz HKLVUUYEYLOLHE-UHFFFAOYSA-N 0 2 292.678 3.206 20 5 CGBDLN CCCCCc1nnc(Cc2ccc(O)c([N+](=O)[O-])c2)o1 ZINC001256088921 806818060 /nfs/dbraw/zinc/81/80/60/806818060.db2.gz HZWWUUXRZOURAQ-UHFFFAOYSA-N 0 2 291.307 3.007 20 5 CGBDLN CC(C)C[C@@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])C(C)C ZINC001228970193 932061168 /nfs/dbraw/zinc/06/11/68/932061168.db2.gz HDGDICLPQJYEGO-GFCCVEGCSA-N 0 2 283.324 3.456 20 5 CGBDLN C[C@@H]1CCC[C@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])[C@H]1C ZINC001228972807 932062217 /nfs/dbraw/zinc/06/22/17/932062217.db2.gz DAOHGCOPPXROHW-PTRXPTGYSA-N 0 2 281.308 3.210 20 5 CGBDLN CCCC[C@H](CCC)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000295049594 199319041 /nfs/dbraw/zinc/31/90/41/199319041.db2.gz GMKPLJMGTVNTFH-NSHDSACASA-N 0 2 294.351 3.389 20 5 CGBDLN CCc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000028713935 368888884 /nfs/dbraw/zinc/88/88/84/368888884.db2.gz FXGJSMHZGPDOHD-UHFFFAOYSA-N 0 2 286.287 3.115 20 5 CGBDLN O=C(Nc1cccc(Cl)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000183291993 374398147 /nfs/dbraw/zinc/39/81/47/374398147.db2.gz CHTWNNYBMXVODW-UHFFFAOYSA-N 0 2 292.678 3.206 20 5 CGBDLN CCC(CC)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000536220395 376082270 /nfs/dbraw/zinc/08/22/70/376082270.db2.gz KOVSQBPNFSVERJ-VIFPVBQESA-N 0 2 280.324 3.311 20 5 CGBDLN CC1(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])CCCCC1 ZINC000232799794 376589353 /nfs/dbraw/zinc/58/93/53/376589353.db2.gz CBRNBDHPQLQCHC-UHFFFAOYSA-N 0 2 292.335 3.001 20 5 CGBDLN C[C@H](CCC(C)(C)C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000347100806 218120846 /nfs/dbraw/zinc/12/08/46/218120846.db2.gz BZOFUNTYDJFHQD-SNVBAGLBSA-N 0 2 294.351 3.245 20 5 CGBDLN CC(C)CCC[C@H](C)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280796540 379793043 /nfs/dbraw/zinc/79/30/43/379793043.db2.gz OXWKDQJKXHAPOQ-NSHDSACASA-N 0 2 294.351 3.245 20 5 CGBDLN O=C(Nc1cccc2[nH]ccc21)c1cccc(O)c1[N+](=O)[O-] ZINC000355495846 380689055 /nfs/dbraw/zinc/68/90/55/380689055.db2.gz DTYWGUDMXBGSDS-UHFFFAOYSA-N 0 2 297.270 3.034 20 5 CGBDLN CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CCCCCC1 ZINC000183360373 392756750 /nfs/dbraw/zinc/75/67/50/392756750.db2.gz KTYUISOOEWMFPN-UHFFFAOYSA-N 0 2 292.335 3.095 20 5 CGBDLN Cc1ccc(NC(=O)N2CC(C)CC(C)C2)cc1[N+](=O)[O-] ZINC000075954942 287030476 /nfs/dbraw/zinc/03/04/76/287030476.db2.gz IXIKSRNOYWFXPV-GHMZBOCLSA-N 0 2 291.351 3.413 20 5 CGBDLN CC1=C(C)C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC1 ZINC000570047296 322263495 /nfs/dbraw/zinc/26/34/95/322263495.db2.gz SXTCWUAUEPSDNO-NSHDSACASA-N 0 2 290.319 3.375 20 5 CGBDLN Cc1cc(F)cc2nc(-c3cc(O)ccc3[N+](=O)[O-])[nH]c21 ZINC001250852214 805787880 /nfs/dbraw/zinc/78/78/80/805787880.db2.gz GDISVIXIGBFLHT-UHFFFAOYSA-N 0 2 287.250 3.291 20 5 CGBDLN Cc1ccc2[nH]c(-c3cc(O)ccc3[N+](=O)[O-])nc2c1F ZINC001250852529 805787895 /nfs/dbraw/zinc/78/78/95/805787895.db2.gz BDJFBAVZADSYKU-UHFFFAOYSA-N 0 2 287.250 3.291 20 5 CGBDLN Cc1cccc2c1nc(-c1cc(O)ccc1[N+](=O)[O-])n2C ZINC001250854660 805788353 /nfs/dbraw/zinc/78/83/53/805788353.db2.gz WFLUXMNVYDDFET-UHFFFAOYSA-N 0 2 283.287 3.163 20 5 CGBDLN C[C@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC001228971921 932063184 /nfs/dbraw/zinc/06/31/84/932063184.db2.gz STOKWTIGQXYRCQ-QMMMGPOBSA-N 0 2 293.250 3.285 20 5 CGBDLN CCC1CCC(Oc2cc(O)cc(O)c2[N+](=O)[O-])CC1 ZINC001228972721 932063463 /nfs/dbraw/zinc/06/34/63/932063463.db2.gz CTGDWJDSDFINGH-UHFFFAOYSA-N 0 2 281.308 3.354 20 5 CGBDLN Cc1oc(C)c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1C ZINC000166196237 346186285 /nfs/dbraw/zinc/18/62/85/346186285.db2.gz HSIKYQKLUJSKRN-UHFFFAOYSA-N 0 2 290.275 3.071 20 5 CGBDLN C[C@H]1CC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC1 ZINC000593554295 347090897 /nfs/dbraw/zinc/09/08/97/347090897.db2.gz VDOLSHORTOOXDY-MGCOHNPYSA-N 0 2 278.308 3.065 20 5 CGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1C[C@@H]1C1CCCC1 ZINC000593551939 347091239 /nfs/dbraw/zinc/09/12/39/347091239.db2.gz CEHXMSLWVGTLQV-NEPJUHHUSA-N 0 2 290.319 3.065 20 5 CGBDLN C[C@@H](CN(C)C(=O)c1ccc([N+](=O)[O-])cc1O)C(C)(C)C ZINC000602218601 347941222 /nfs/dbraw/zinc/94/12/22/347941222.db2.gz QWQMTQIRMZHUMT-JTQLQIEISA-N 0 2 294.351 3.055 20 5 CGBDLN Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1F ZINC000182630325 374302026 /nfs/dbraw/zinc/30/20/26/374302026.db2.gz TXIUSKUOOICSHH-UHFFFAOYSA-N 0 2 290.250 3.000 20 5 CGBDLN CC(C)CN(CC(C)C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184777290 374558516 /nfs/dbraw/zinc/55/85/16/374558516.db2.gz OZBJOPORFJCOCB-UHFFFAOYSA-N 0 2 294.351 3.055 20 5 CGBDLN Cc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c(F)c1 ZINC000235894985 376651614 /nfs/dbraw/zinc/65/16/14/376651614.db2.gz LJIUCOOWVQIFON-UHFFFAOYSA-N 0 2 290.250 3.000 20 5 CGBDLN Cc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c(C)c1 ZINC000235894888 376653318 /nfs/dbraw/zinc/65/33/18/376653318.db2.gz 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376342700 /nfs/dbraw/zinc/34/27/00/376342700.db2.gz MJEFAOJUKOMLLV-GFCCVEGCSA-N 0 2 294.351 3.389 20 5 CGBDLN CCc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000234149052 376610153 /nfs/dbraw/zinc/61/01/53/376610153.db2.gz GGIIOLYTMNKOAD-UHFFFAOYSA-N 0 2 286.287 3.115 20 5 CGBDLN CCCCCN(C(=O)c1cccc(O)c1[N+](=O)[O-])C(C)C ZINC000343077793 377897176 /nfs/dbraw/zinc/89/71/76/377897176.db2.gz IQZSRFYQEMYMGU-UHFFFAOYSA-N 0 2 294.351 3.341 20 5 CGBDLN CC1(C)CC(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000343880431 378122405 /nfs/dbraw/zinc/12/24/05/378122405.db2.gz RHMJHWCQPPJFRJ-UHFFFAOYSA-N 0 2 278.308 3.065 20 5 CGBDLN Cc1cc(C)cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000235832697 393030483 /nfs/dbraw/zinc/03/04/83/393030483.db2.gz FAEPVRIDOXFJOW-UHFFFAOYSA-N 0 2 286.287 3.170 20 5 CGBDLN CC1(C)CCC(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CC1 ZINC000361663337 280921812 /nfs/dbraw/zinc/92/18/12/280921812.db2.gz TZHSBUMHLMBOIA-UHFFFAOYSA-N 0 2 292.335 3.455 20 5 CGBDLN CCC[C@](C)(CC)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000476498295 535753864 /nfs/dbraw/zinc/75/38/64/535753864.db2.gz BYABLHOIKHSDKQ-AWEZNQCLSA-N 0 2 280.324 3.455 20 5 CGBDLN O=[N+]([O-])c1c(O)cccc1O[C@@H]1CC2CCC1CC2 ZINC001225620925 817115203 /nfs/dbraw/zinc/11/52/03/817115203.db2.gz XYKFWGUUFHORSE-SRHKJQAYSA-N 0 2 263.293 3.258 20 5 CGBDLN O=[N+]([O-])c1c(O)cccc1O[C@@H]1CCOc2ccccc21 ZINC001225620658 817115621 /nfs/dbraw/zinc/11/56/21/817115621.db2.gz SBBXULWFLNAJGQ-CYBMUJFWSA-N 0 2 287.271 3.203 20 5 CGBDLN CC1(CNC(=O)c2ccc([N+](=O)[O-])cc2O)CCCCC1 ZINC001450668512 937387210 /nfs/dbraw/zinc/38/72/10/937387210.db2.gz GEGFKBJUJCPYQC-UHFFFAOYSA-N 0 2 292.335 3.001 20 5 CGBDLN CC[C@@H]1CCCC[C@H]1Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228971947 932062377 /nfs/dbraw/zinc/06/23/77/932062377.db2.gz TVHPXBWJKHLFGP-BXKDBHETSA-N 0 2 281.308 3.354 20 5 CGBDLN CCC(CC)N(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cccc(C)c1 ZINC001525360375 938048693 /nfs/dbraw/zinc/04/86/93/938048693.db2.gz ZFLGWXGNOJCUAP-HUUCEWRRSA-N 0 2 290.363 3.182 20 5 CGBDLN CSc1cc[nH+]cc1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000610544153 348389496 /nfs/dbraw/zinc/38/94/96/348389496.db2.gz PDWUXJKNGSPUTK-UHFFFAOYSA-N 0 2 295.345 3.026 20 5 CGBDLN CC[C@@H]1CCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000450392847 374099695 /nfs/dbraw/zinc/09/96/95/374099695.db2.gz PROPIUOEOASUQC-MWLCHTKSSA-N 0 2 278.308 3.065 20 5 CGBDLN O=C(Nc1ccccc1Cl)c1ccc(O)c([N+](=O)[O-])c1 ZINC000184781353 374558368 /nfs/dbraw/zinc/55/83/68/374558368.db2.gz HUCXBCJYJTVBIL-UHFFFAOYSA-N 0 2 292.678 3.206 20 5 CGBDLN CCC(CC)CN(CC)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000232863962 376589791 /nfs/dbraw/zinc/58/97/91/376589791.db2.gz RJKNVFIRKGABMZ-UHFFFAOYSA-N 0 2 294.351 3.199 20 5 CGBDLN CC(C)(C)CCCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000517099479 249256551 /nfs/dbraw/zinc/25/65/51/249256551.db2.gz APWSPYHTIJPRMY-UHFFFAOYSA-N 0 2 294.351 3.247 20 5 CGBDLN CCC(CC)(CC)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354097488 380322739 /nfs/dbraw/zinc/32/27/39/380322739.db2.gz QDSTZQFCDHZSHT-UHFFFAOYSA-N 0 2 294.351 3.247 20 5 CGBDLN CC1(C)CC[C@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1 ZINC000361664089 392289934 /nfs/dbraw/zinc/28/99/34/392289934.db2.gz ZOUCFEFKTGWOJE-VIFPVBQESA-N 0 2 278.308 3.065 20 5 CGBDLN CC(C)(C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)C1CCC1 ZINC000450537047 394011953 /nfs/dbraw/zinc/01/19/53/394011953.db2.gz BTKYTTYTBFDEOH-UHFFFAOYSA-N 0 2 278.308 3.065 20 5 CGBDLN CC(C(=O)Nc1cc([N+](=O)[O-])ccc1O)=C1CCCC1 ZINC000092546082 165302109 /nfs/dbraw/zinc/30/21/09/165302109.db2.gz KAHSVUMQZZZTJR-UHFFFAOYSA-N 0 2 276.292 3.129 20 5 CGBDLN C[C@@H]1CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000092545994 165303911 /nfs/dbraw/zinc/30/39/11/165303911.db2.gz LAHCWWAJXDWKGN-NXEZZACHSA-N 0 2 278.308 3.065 20 5 CGBDLN C[C@@H]1CCCC[C@H]1CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000539970472 288640637 /nfs/dbraw/zinc/64/06/37/288640637.db2.gz DGCFEQPBKPZSOQ-MNOVXSKESA-N 0 2 292.335 3.455 20 5 CGBDLN CN(C(=O)c1cccc(O)c1[N+](=O)[O-])C1CCCCCC1 ZINC000281121283 288923996 /nfs/dbraw/zinc/92/39/96/288923996.db2.gz IBVWEBWLMIPQOK-UHFFFAOYSA-N 0 2 292.335 3.095 20 5 CGBDLN O=[N+]([O-])c1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1O ZINC000353885406 304801743 /nfs/dbraw/zinc/80/17/43/304801743.db2.gz GPBGZAZPLVWWKX-UHFFFAOYSA-N 0 2 291.213 3.122 20 5 CGBDLN CCC1(CC)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000874629292 634574697 /nfs/dbraw/zinc/57/46/97/634574697.db2.gz DFJAKBUGSDOGCU-UHFFFAOYSA-N 0 2 292.335 3.095 20 5 CGBDLN Cc1cccc2c1nc(-c1cc([N+](=O)[O-])ccc1O)n2C ZINC001251046502 805835898 /nfs/dbraw/zinc/83/58/98/805835898.db2.gz UFGPFBONHBFATC-UHFFFAOYSA-N 0 2 283.287 3.163 20 5 CGBDLN CC[C@H]1CCC[C@@]1(C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001295973101 809496507 /nfs/dbraw/zinc/49/65/07/809496507.db2.gz RVTXTQSZEAZELC-ZUZCIYMTSA-N 0 2 292.335 3.455 20 5 CGBDLN COc1ccc([N+](=O)[O-])cc1Nc1nnc(C(C)(C)C)o1 ZINC001210443532 814458764 /nfs/dbraw/zinc/45/87/64/814458764.db2.gz IWVCTJXQVNIFMF-UHFFFAOYSA-N 0 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UENHCOSKHXJTMW-NSHDSACASA-N 0 2 292.335 3.165 20 5 CGBDLN CCCC(C)(C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000593596238 347093096 /nfs/dbraw/zinc/09/30/96/347093096.db2.gz NZWUZKWMKWGSIA-UHFFFAOYSA-N 0 2 266.297 3.065 20 5 CGBDLN Cc1cc(Nc2sccc2[N+](=O)[O-])nn1[C@@H](C)C1CC1 ZINC000612094465 348492969 /nfs/dbraw/zinc/49/29/69/348492969.db2.gz BZSZLOVCDUWRDL-VIFPVBQESA-N 0 2 292.364 3.298 20 5 CGBDLN O=C(Nc1ccc(C2CC2)cc1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000612560254 348527358 /nfs/dbraw/zinc/52/73/58/348527358.db2.gz WPVXDIUOKPOWCC-UHFFFAOYSA-N 0 2 298.298 3.430 20 5 CGBDLN CC(C)CN(CC(C)C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182011644 189312261 /nfs/dbraw/zinc/31/22/61/189312261.db2.gz SIURQGQCZDUSQI-UHFFFAOYSA-N 0 2 294.351 3.055 20 5 CGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc2c(c1)CCC2 ZINC000089530856 370042512 /nfs/dbraw/zinc/04/25/12/370042512.db2.gz USVUAUMMBRJIRR-UHFFFAOYSA-N 0 2 298.298 3.041 20 5 CGBDLN CCS[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)C(C)C ZINC000166078371 372563499 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ZINC001251009917 805828341 /nfs/dbraw/zinc/82/83/41/805828341.db2.gz ZTDMBUVRPILAHH-UHFFFAOYSA-N 0 2 283.287 3.461 20 5 CGBDLN CCC[C@H]1CCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001138013325 803823981 /nfs/dbraw/zinc/82/39/81/803823981.db2.gz LTBFKMKGTUUANH-CMPLNLGQSA-N 0 2 292.335 3.455 20 5 CGBDLN Cc1ccc(-c2noc(-c3c(O)cccc3[N+](=O)[O-])n2)cc1 ZINC001216845215 815898389 /nfs/dbraw/zinc/89/83/89/815898389.db2.gz CMRNEHTURXXBFV-UHFFFAOYSA-N 0 2 297.270 3.326 20 5 CGBDLN O=[N+]([O-])c1c(O)cccc1O[C@H]1CC2CCC1CC2 ZINC001225620928 817115487 /nfs/dbraw/zinc/11/54/87/817115487.db2.gz XYKFWGUUFHORSE-ZPPKWKGLSA-N 0 2 263.293 3.258 20 5 CGBDLN C[C@@H]1CCC[C@H](Oc2cccc(O)c2[N+](=O)[O-])C1 ZINC001225620471 817115547 /nfs/dbraw/zinc/11/55/47/817115547.db2.gz RBVDIGXKUADKSQ-ZJUUUORDSA-N 0 2 251.282 3.258 20 5 CGBDLN CCCC(CCC)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228970622 932059427 /nfs/dbraw/zinc/05/94/27/932059427.db2.gz JKSKPPWIBXBNSK-UHFFFAOYSA-N 0 2 269.297 3.354 20 5 CGBDLN CC(C)(C)CCCCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001543205378 938138308 /nfs/dbraw/zinc/13/83/08/938138308.db2.gz QVHRZDFWGNSIPW-UHFFFAOYSA-N 0 2 294.351 3.247 20 5 CGBDLN CCCC[C@@H](CCC)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000295049590 199318616 /nfs/dbraw/zinc/31/86/16/199318616.db2.gz GMKPLJMGTVNTFH-LLVKDONJSA-N 0 2 294.351 3.389 20 5 CGBDLN CCC(CC)CN(CC)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184656924 535017587 /nfs/dbraw/zinc/01/75/87/535017587.db2.gz CMWPIINGNZCQLD-UHFFFAOYSA-N 0 2 294.351 3.199 20 5 CGBDLN CCCCC1=NN(c2ccc([N+](=O)[O-])cc2F)C(=O)[C@@H]1C ZINC000601944203 347927885 /nfs/dbraw/zinc/92/78/85/347927885.db2.gz WQGNAHYSMGECMS-SECBINFHSA-N 0 2 293.298 3.263 20 5 CGBDLN CC(C)(C)CCCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000535516688 376041138 /nfs/dbraw/zinc/04/11/38/376041138.db2.gz NVEOTWMKZWLRKV-UHFFFAOYSA-N 0 2 280.324 3.455 20 5 CGBDLN CC1(C)CCCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000228637551 376443948 /nfs/dbraw/zinc/44/39/48/376443948.db2.gz NSOYVLIUMCIORH-NSHDSACASA-N 0 2 292.335 3.455 20 5 CGBDLN CC1(C)CCCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000228637542 376444444 /nfs/dbraw/zinc/44/44/44/376444444.db2.gz NSOYVLIUMCIORH-LLVKDONJSA-N 0 2 292.335 3.455 20 5 CGBDLN CC[C@H]1CC[C@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CC1 ZINC000489954939 393623816 /nfs/dbraw/zinc/62/38/16/393623816.db2.gz QPAALCFGWYCMFP-XYPYZODXSA-N 0 2 292.335 3.455 20 5 CGBDLN CC1CCC(=CC(=O)Nc2cc([N+](=O)[O-])ccc2O)CC1 ZINC000760197871 626944029 /nfs/dbraw/zinc/94/40/29/626944029.db2.gz MQJWZTNNMAETAC-UHFFFAOYSA-N 0 2 290.319 3.375 20 5 CGBDLN CCOc1cccc2[nH]c(-c3cc(O)ccc3[N+](=O)[O-])nc21 ZINC001250853937 805787651 /nfs/dbraw/zinc/78/76/51/805787651.db2.gz JRHKJQKTNPMDHT-UHFFFAOYSA-N 0 2 299.286 3.242 20 5 CGBDLN O=C(/C=C/c1ccsc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000092547204 345844258 /nfs/dbraw/zinc/84/42/58/345844258.db2.gz NMQCCTDMVHSZGM-DAFODLJHSA-N 0 2 290.300 3.014 20 5 CGBDLN Cn1ncc(Nc2sccc2[N+](=O)[O-])c1C(F)F ZINC000611414584 348449636 /nfs/dbraw/zinc/44/96/36/348449636.db2.gz KLBLOTDLYOPTBD-UHFFFAOYSA-N 0 2 274.252 3.071 20 5 CGBDLN C[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)C1CCCC1 ZINC000614274051 348664258 /nfs/dbraw/zinc/66/42/58/348664258.db2.gz HVLUBTZDZLCTMJ-VIFPVBQESA-N 0 2 278.308 3.065 20 5 CGBDLN CC(C)(C(=O)Nc1cc([N+](=O)[O-])ccc1O)C1CCCC1 ZINC000537775287 376199163 /nfs/dbraw/zinc/19/91/63/376199163.db2.gz WAIOCNDYWCWJEY-UHFFFAOYSA-N 0 2 292.335 3.455 20 5 CGBDLN Cc1ccc2c(c1)nc(-c1ccc([N+](=O)[O-])c(O)c1)n2C ZINC000133559865 371262953 /nfs/dbraw/zinc/26/29/53/371262953.db2.gz XEBQIMHGVWCHCP-UHFFFAOYSA-N 0 2 283.287 3.163 20 5 CGBDLN O=C(Nc1ccsc1Cl)c1ccc(O)c([N+](=O)[O-])c1 ZINC000189502506 375399817 /nfs/dbraw/zinc/39/98/17/375399817.db2.gz JXGLTYZSMDJPKC-UHFFFAOYSA-N 0 2 298.707 3.268 20 5 CGBDLN CCS[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)C(C)C ZINC000092546201 165303167 /nfs/dbraw/zinc/30/31/67/165303167.db2.gz YQHLGKPWWBRXIY-GFCCVEGCSA-N 0 2 298.364 3.017 20 5 CGBDLN C[C@H]1CCCC[C@@H]1CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000548190471 288996716 /nfs/dbraw/zinc/99/67/16/288996716.db2.gz KHNSWTOIXYKTDT-WDEREUQCSA-N 0 2 292.335 3.455 20 5 CGBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(c1ccsc1)C1CCCCC1 ZINC000841201789 635133823 /nfs/dbraw/zinc/13/38/23/635133823.db2.gz QPJSPIZFTPMCFY-CHWSQXEVSA-N 0 2 294.376 3.079 20 5 CGBDLN C[C@@H](COc1ccccc1)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225620759 817116038 /nfs/dbraw/zinc/11/60/38/817116038.db2.gz UJNWNLUKEQDWPI-NSHDSACASA-N 0 2 289.287 3.147 20 5 CGBDLN Cc1cccc([C@H](C)Oc2cc(O)cc(O)c2[N+](=O)[O-])c1 ZINC001228971372 932061472 /nfs/dbraw/zinc/06/14/72/932061472.db2.gz OHPJDXQCNQQJCS-JTQLQIEISA-N 0 2 289.287 3.454 20 5 CGBDLN CC[C@H]1CCCC[C@H]1Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228971949 932062415 /nfs/dbraw/zinc/06/24/15/932062415.db2.gz TVHPXBWJKHLFGP-JOYOIKCWSA-N 0 2 281.308 3.354 20 5 CGBDLN C[C@@H]1CC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C[C@H]1C ZINC001466628959 937710929 /nfs/dbraw/zinc/71/09/29/937710929.db2.gz MDTQIEXNCJCBGU-GMTAPVOTSA-N 0 2 292.335 3.311 20 5 CGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc2cc[nH]c21 ZINC000092547193 249034566 /nfs/dbraw/zinc/03/45/66/249034566.db2.gz YZDHLKWHVRRMHL-UHFFFAOYSA-N 0 2 297.270 3.034 20 5 CGBDLN O=C(Nc1ccc2cc[nH]c2c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000194829008 392939243 /nfs/dbraw/zinc/93/92/43/392939243.db2.gz VRVHIMWIQOCJRM-UHFFFAOYSA-N 0 2 297.270 3.034 20 5 CGBDLN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)sc1C ZINC000127803851 287296625 /nfs/dbraw/zinc/29/66/25/287296625.db2.gz MNHWEOINLCTXEB-UHFFFAOYSA-N 0 2 292.316 3.231 20 5 CGBDLN CCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184624392 287548589 /nfs/dbraw/zinc/54/85/89/287548589.db2.gz VSBULAJWONMACA-UHFFFAOYSA-N 0 2 286.287 3.115 20 5 CGBDLN Cc1cc(F)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184592272 262287921 /nfs/dbraw/zinc/28/79/21/262287921.db2.gz QAADBKCEBCIBCU-UHFFFAOYSA-N 0 2 290.250 3.000 20 5 CGBDLN CC1=C(C)C[C@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CC1 ZINC000567950396 322185661 /nfs/dbraw/zinc/18/56/61/322185661.db2.gz NLXYBOHPCIVMQE-LLVKDONJSA-N 0 2 290.319 3.375 20 5 CGBDLN O=[N+]([O-])c1cccc(O)c1-c1nnc(C2CCCC2)o1 ZINC001257588956 807202421 /nfs/dbraw/zinc/20/24/21/807202421.db2.gz VXSDTGWXJKISHN-UHFFFAOYSA-N 0 2 275.264 3.008 20 5 CGBDLN C[C@@H]1CC[C@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C[C@H]1C ZINC001228971875 932062199 /nfs/dbraw/zinc/06/21/99/932062199.db2.gz SNIHWXFHEVEFBI-KKZNHRDASA-N 0 2 281.308 3.210 20 5 CGBDLN CC(C)CCC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001540616646 938132485 /nfs/dbraw/zinc/13/24/85/938132485.db2.gz YNJSIKYDFDSVMK-LLVKDONJSA-N 0 2 294.351 3.245 20 5 CGBDLN CCc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000163980047 529687148 /nfs/dbraw/zinc/68/71/48/529687148.db2.gz DLJXTCPPEJCZNX-UHFFFAOYSA-N 0 2 286.287 3.115 20 5 CGBDLN C[C@@H](CN(C)C(=O)c1cccc(O)c1[N+](=O)[O-])C(C)(C)C ZINC000602218144 347941500 /nfs/dbraw/zinc/94/15/00/347941500.db2.gz LXDIFKZVSVCZLX-JTQLQIEISA-N 0 2 294.351 3.055 20 5 CGBDLN O=C(Nc1ccc2[nH]ccc2c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000113415895 370474815 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CC1CCC(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CC1 ZINC000361663309 392288362 /nfs/dbraw/zinc/28/83/62/392288362.db2.gz TWVKHYUDKYXSPW-UHFFFAOYSA-N 0 2 292.335 3.455 20 5 CGBDLN CCC[C@@H](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000089531381 165209093 /nfs/dbraw/zinc/20/90/93/165209093.db2.gz NPENNICGRLGYDD-SECBINFHSA-N 0 2 266.297 3.065 20 5 CGBDLN CC[C@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000173258056 288186540 /nfs/dbraw/zinc/18/65/40/288186540.db2.gz NOKBNRKHODHFHC-LBPRGKRZSA-N 0 2 292.335 3.095 20 5 CGBDLN CCC[C@H](C)CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000155950916 321772477 /nfs/dbraw/zinc/77/24/77/321772477.db2.gz NYXRZFZZIZWAJV-VIFPVBQESA-N 0 2 266.297 3.065 20 5 CGBDLN CCCCCN(C(=O)c1cc([N+](=O)[O-])ccc1O)C(C)C ZINC000436675455 528162360 /nfs/dbraw/zinc/16/23/60/528162360.db2.gz YXELUXYPINCWKZ-UHFFFAOYSA-N 0 2 294.351 3.341 20 5 CGBDLN Cc1ccc(F)c2nc(-c3cc(O)ccc3[N+](=O)[O-])[nH]c21 ZINC001250854060 805788648 /nfs/dbraw/zinc/78/86/48/805788648.db2.gz NFYFBNUEJPGGMV-UHFFFAOYSA-N 0 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ZINC000183910224 520955062 /nfs/dbraw/zinc/95/50/62/520955062.db2.gz FWMPWDOEVDPGTL-UHFFFAOYSA-N 0 2 298.364 3.162 20 5 CGBDLN CCC(CC)[C@@H](C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483444284 535099404 /nfs/dbraw/zinc/09/94/04/535099404.db2.gz YMPGBSKBDTYVNP-SECBINFHSA-N 0 2 280.324 3.311 20 5 CGBDLN CCCCCc1nnc(-c2ccc(C)c(O)c2[N+](=O)[O-])o1 ZINC001256144736 806833062 /nfs/dbraw/zinc/83/30/62/806833062.db2.gz NHHHCCJINUJZTC-UHFFFAOYSA-N 0 2 291.307 3.392 20 5 CGBDLN C[C@@H]1CCC[C@@H](Oc2cccc(O)c2[N+](=O)[O-])C1 ZINC001225620434 817115189 /nfs/dbraw/zinc/11/51/89/817115189.db2.gz RBVDIGXKUADKSQ-NXEZZACHSA-N 0 2 251.282 3.258 20 5 CGBDLN C[C@@H]1CCC[C@H](C)[C@H]1Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228973551 932063001 /nfs/dbraw/zinc/06/30/01/932063001.db2.gz LBUXPZHJNGHONX-QRJZZWFUSA-N 0 2 281.308 3.210 20 5 CGBDLN C[C@H](CN(C)C(=O)c1cccc(O)c1[N+](=O)[O-])C(C)(C)C ZINC000602218145 347941434 /nfs/dbraw/zinc/94/14/34/347941434.db2.gz LXDIFKZVSVCZLX-SNVBAGLBSA-N 0 2 294.351 3.055 20 5 CGBDLN CCC(CC)c1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000445230636 373301205 /nfs/dbraw/zinc/30/12/05/373301205.db2.gz LBSAWQYWILCDGL-UHFFFAOYSA-N 0 2 277.280 3.254 20 5 CGBDLN C[C@H]1CCC[C@]1(C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000450397029 374101929 /nfs/dbraw/zinc/10/19/29/374101929.db2.gz YFSLNVZCAVCABA-XPTSAGLGSA-N 0 2 278.308 3.065 20 5 CGBDLN Cc1scc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1C ZINC000186017756 374785247 /nfs/dbraw/zinc/78/52/47/374785247.db2.gz YQAQKLOJFMRLPM-UHFFFAOYSA-N 0 2 292.316 3.231 20 5 CGBDLN Cc1ccc(C)c(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000235864544 376652333 /nfs/dbraw/zinc/65/23/33/376652333.db2.gz SWVQAWIQVKKZEK-UHFFFAOYSA-N 0 2 286.287 3.170 20 5 CGBDLN O=C(Nc1cccc2cc[nH]c21)c1ccc([N+](=O)[O-])cc1O ZINC000548145566 393179699 /nfs/dbraw/zinc/17/96/99/393179699.db2.gz HNULMBNQKIXKFU-UHFFFAOYSA-N 0 2 297.270 3.034 20 5 CGBDLN O=[N+]([O-])c1ccc(O)cc1-c1nc2cc3c(cc2[nH]1)CCC3 ZINC001250854278 805788170 /nfs/dbraw/zinc/78/81/70/805788170.db2.gz OKXAMJABJSXDGC-UHFFFAOYSA-N 0 2 295.298 3.332 20 5 CGBDLN CCC[C@@H]1CCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001138013328 803824315 /nfs/dbraw/zinc/82/43/15/803824315.db2.gz LTBFKMKGTUUANH-ZYHUDNBSSA-N 0 2 292.335 3.455 20 5 CGBDLN O=[N+]([O-])c1cc(Nc2c(O)cc(F)cc2F)ccc1O ZINC001210395191 814441902 /nfs/dbraw/zinc/44/19/02/814441902.db2.gz RGLQARSDUAUCGT-UHFFFAOYSA-N 0 2 282.202 3.028 20 5 CGBDLN O=[N+]([O-])c1cc(Nc2cccc(Cl)c2O)ccc1O ZINC001210401766 814447285 /nfs/dbraw/zinc/44/72/85/814447285.db2.gz ZQKGKEHIIBYKHS-UHFFFAOYSA-N 0 2 280.667 3.403 20 5 CGBDLN CC(=O)[C@H](Oc1cccc(O)c1[N+](=O)[O-])c1ccccc1 ZINC001225619457 817115248 /nfs/dbraw/zinc/11/52/48/817115248.db2.gz AWDVDNVLDLICRC-HNNXBMFYSA-N 0 2 287.271 3.010 20 5 CGBDLN O=C1CC[C@@H](Oc2cccc(O)c2[N+](=O)[O-])c2ccccc21 ZINC001225619906 817115705 /nfs/dbraw/zinc/11/57/05/817115705.db2.gz KHXOUWZKKKHFIB-CQSZACIVSA-N 0 2 299.282 3.397 20 5 CGBDLN CSc1c(F)cccc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC001461502929 937583788 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292.335 3.001 20 5 CGBDLN CCCC[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000311328762 374239327 /nfs/dbraw/zinc/23/93/27/374239327.db2.gz FNDWLKAXAYCZEP-VIFPVBQESA-N 0 2 266.297 3.065 20 5 CGBDLN CC(C)CCC[C@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000232572672 376581755 /nfs/dbraw/zinc/58/17/55/376581755.db2.gz XSZBLAATJPIWSJ-NSHDSACASA-N 0 2 294.351 3.245 20 5 CGBDLN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)c2ccccc21 ZINC000184661869 392765368 /nfs/dbraw/zinc/76/53/68/392765368.db2.gz HKUXEQKVEVEDBQ-SNVBAGLBSA-N 0 2 298.298 3.064 20 5 CGBDLN C[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])c2ccccc21 ZINC000349856655 393154275 /nfs/dbraw/zinc/15/42/75/393154275.db2.gz YDPPFQXYDZZQLE-SNVBAGLBSA-N 0 2 298.298 3.064 20 5 CGBDLN CC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000450542653 394013730 /nfs/dbraw/zinc/01/37/30/394013730.db2.gz VAESQRFYMJURPW-MWLCHTKSSA-N 0 2 278.308 3.065 20 5 CGBDLN CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)C1CCCCC1 ZINC000184637665 520093462 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ZINC001211285293 814869943 /nfs/dbraw/zinc/86/99/43/814869943.db2.gz BZQXYIQBTVFWBL-UHFFFAOYSA-N 0 2 286.247 3.290 20 5 CGBDLN CC1CCC(Oc2cccc(O)c2[N+](=O)[O-])CC1 ZINC001225620480 817115649 /nfs/dbraw/zinc/11/56/49/817115649.db2.gz RCXQHZITJWOCLE-UHFFFAOYSA-N 0 2 251.282 3.258 20 5 CGBDLN O=[N+]([O-])c1c(O)cc(O)cc1OC1CCCCCC1 ZINC001228971979 932063214 /nfs/dbraw/zinc/06/32/14/932063214.db2.gz TYGVWHHOHXNTIY-UHFFFAOYSA-N 0 2 267.281 3.108 20 5 CGBDLN CC1(C)CCC[C@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C1 ZINC001228972641 932063240 /nfs/dbraw/zinc/06/32/40/932063240.db2.gz BGFZLLKVYRZADA-JTQLQIEISA-N 0 2 281.308 3.354 20 5 CGBDLN CC[C@@H]1CCCC[C@@H]1Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228971950 932063408 /nfs/dbraw/zinc/06/34/08/932063408.db2.gz TVHPXBWJKHLFGP-SKDRFNHKSA-N 0 2 281.308 3.354 20 5 CGBDLN C[C@H](CC(C)(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000477718256 243051847 /nfs/dbraw/zinc/05/18/47/243051847.db2.gz YFQGEZHERGFXFS-SECBINFHSA-N 0 2 280.324 3.311 20 5 CGBDLN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c(F)c1 ZINC000183327989 374402183 /nfs/dbraw/zinc/40/21/83/374402183.db2.gz PSYSNEOAYHVOAJ-UHFFFAOYSA-N 0 2 290.250 3.000 20 5 CGBDLN CCCCS[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000089541118 165211528 /nfs/dbraw/zinc/21/15/28/165211528.db2.gz YSEBHWVSUSRXGQ-SECBINFHSA-N 0 2 298.364 3.161 20 5 CGBDLN CCCC[C@@H](CCC)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000226037978 287633325 /nfs/dbraw/zinc/63/33/25/287633325.db2.gz BIHDNWQHSSDNJO-LLVKDONJSA-N 0 2 294.351 3.389 20 5 CGBDLN CC1(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CCCC1 ZINC000573883980 322411962 /nfs/dbraw/zinc/41/19/62/322411962.db2.gz SIAQCNQCICOSOM-UHFFFAOYSA-N 0 2 278.308 3.209 20 5 CGBDLN CC1(C)CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC1 ZINC000356326164 528896045 /nfs/dbraw/zinc/89/60/45/528896045.db2.gz YKDOXOFXCMDIRE-UHFFFAOYSA-N 0 2 292.335 3.455 20 5 CGBDLN Cc1ccc(F)c2nc(-c3cc([N+](=O)[O-])ccc3O)[nH]c21 ZINC001251045530 805836518 /nfs/dbraw/zinc/83/65/18/805836518.db2.gz LCFZHVNFJZUJCB-UHFFFAOYSA-N 0 2 287.250 3.291 20 5 CGBDLN Cc1c[nH+]c(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(C)c1 ZINC001176672286 809739442 /nfs/dbraw/zinc/73/94/42/809739442.db2.gz INCNJXOLWHYKAP-UHFFFAOYSA-N 0 2 287.275 3.048 20 5 CGBDLN C[C@H]1CCCC[C@@H]1Oc1cccc(O)c1[N+](=O)[O-] ZINC001225619547 817115631 /nfs/dbraw/zinc/11/56/31/817115631.db2.gz CFGVWZYCMUJILJ-ONGXEEELSA-N 0 2 251.282 3.258 20 5 CGBDLN CC(=O)[C@@H](Oc1cccc(O)c1[N+](=O)[O-])c1ccccc1 ZINC001225619459 817115757 /nfs/dbraw/zinc/11/57/57/817115757.db2.gz AWDVDNVLDLICRC-OAHLLOKOSA-N 0 2 287.271 3.010 20 5 CGBDLN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1C ZINC001440519987 937331156 /nfs/dbraw/zinc/33/11/56/937331156.db2.gz UPPSGNFEWUPFRN-UHFFFAOYSA-N 0 2 286.287 3.170 20 5 CGBDLN O=[N+]([O-])c1c(O)cc(O)cc1O[C@@H]1CCc2ccccc21 ZINC001228968739 932061346 /nfs/dbraw/zinc/06/13/46/932061346.db2.gz ORDHKOLKLLZPSZ-CYBMUJFWSA-N 0 2 287.271 3.072 20 5 CGBDLN Cc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c(C)c1 ZINC000163962490 232258679 /nfs/dbraw/zinc/25/86/79/232258679.db2.gz RNFGUJYGZWHBTH-UHFFFAOYSA-N 0 2 286.287 3.170 20 5 CGBDLN CCCCC1=NN(c2cccc([N+](=O)[O-])c2)C(=O)[C@H]1C ZINC000601931968 347925218 /nfs/dbraw/zinc/92/52/18/347925218.db2.gz JWJJVNIJGBXKDQ-JTQLQIEISA-N 0 2 275.308 3.124 20 5 CGBDLN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c(C)c1 ZINC000024813964 368836526 /nfs/dbraw/zinc/83/65/26/368836526.db2.gz LYDFAOQHRMMSRF-UHFFFAOYSA-N 0 2 286.287 3.170 20 5 CGBDLN C[C@@H]1CCC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000092545992 370098434 /nfs/dbraw/zinc/09/84/34/370098434.db2.gz LAHCWWAJXDWKGN-ZJUUUORDSA-N 0 2 278.308 3.065 20 5 CGBDLN C[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)c1cccs1 ZINC000183919510 374474444 /nfs/dbraw/zinc/47/44/44/374474444.db2.gz VFLAKLGERUOQME-QMMMGPOBSA-N 0 2 292.316 3.104 20 5 CGBDLN CCCC[C@H](CCC)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000226037989 376339122 /nfs/dbraw/zinc/33/91/22/376339122.db2.gz BIHDNWQHSSDNJO-NSHDSACASA-N 0 2 294.351 3.389 20 5 CGBDLN CC[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)C(C)C ZINC000539971174 376350500 /nfs/dbraw/zinc/35/05/00/376350500.db2.gz XAKKEUGCMJGCBK-SNVBAGLBSA-N 0 2 280.324 3.311 20 5 CGBDLN CCCCSCCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000089541166 165209974 /nfs/dbraw/zinc/20/99/74/165209974.db2.gz QORLWKDYHNXZPR-UHFFFAOYSA-N 0 2 298.364 3.162 20 5 CGBDLN Cc1ccc(F)cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184585945 262287664 /nfs/dbraw/zinc/28/76/64/262287664.db2.gz APJCRMAFOGVKLA-UHFFFAOYSA-N 0 2 290.250 3.000 20 5 CGBDLN Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1F ZINC000186139851 262310791 /nfs/dbraw/zinc/31/07/91/262310791.db2.gz AXKGAMAAASTIIQ-UHFFFAOYSA-N 0 2 290.250 3.000 20 5 CGBDLN C[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)C(C)(C)C ZINC000221013793 333172062 /nfs/dbraw/zinc/17/20/62/333172062.db2.gz VQSZQDPKQAUXSM-VIFPVBQESA-N 0 2 280.324 3.311 20 5 CGBDLN CC(C)(C)C(C)(C)CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000386636526 336176682 /nfs/dbraw/zinc/17/66/82/336176682.db2.gz VWYZTJAYBFBBCV-UHFFFAOYSA-N 0 2 294.351 3.103 20 5 CGBDLN CC(C)(C)C(C)(C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000380330565 517371530 /nfs/dbraw/zinc/37/15/30/517371530.db2.gz RJCQEZPLQHGAMC-UHFFFAOYSA-N 0 2 280.324 3.311 20 5 CGBDLN O=C(Nc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436862822 534347073 /nfs/dbraw/zinc/34/70/73/534347073.db2.gz PXPDHBNQDRUIEJ-UHFFFAOYSA-N 0 2 292.678 3.206 20 5 CGBDLN CCC(CC)[C@H](C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483444285 535135451 /nfs/dbraw/zinc/13/54/51/535135451.db2.gz YMPGBSKBDTYVNP-VIFPVBQESA-N 0 2 280.324 3.311 20 5 CGBDLN Cc1ccc2[nH]c(-c3cc(O)ccc3[N+](=O)[O-])nc2c1C ZINC001250854689 805788638 /nfs/dbraw/zinc/78/86/38/805788638.db2.gz XCQZLZCTPRSKEH-UHFFFAOYSA-N 0 2 283.287 3.461 20 5 CGBDLN O=[N+]([O-])c1cc(Nc2ccc(F)c(F)c2O)ccc1O ZINC001210398115 814444628 /nfs/dbraw/zinc/44/46/28/814444628.db2.gz QPRYTLDAUBVGST-UHFFFAOYSA-N 0 2 282.202 3.028 20 5 CGBDLN C[C@H]1CCC[C@H](Oc2cccc(O)c2[N+](=O)[O-])C1 ZINC001225620437 817115732 /nfs/dbraw/zinc/11/57/32/817115732.db2.gz RBVDIGXKUADKSQ-UWVGGRQHSA-N 0 2 251.282 3.258 20 5 CGBDLN C[C@H](Cc1ccccc1)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225620823 817116065 /nfs/dbraw/zinc/11/60/65/817116065.db2.gz WOLJCSRXZIKUIT-LLVKDONJSA-N 0 2 273.288 3.310 20 5 CGBDLN CC(C)[C@H](Oc1cccc(O)c1[N+](=O)[O-])C(F)(F)F ZINC001225623827 817117257 /nfs/dbraw/zinc/11/72/57/817117257.db2.gz UAPSURWRTPPALV-JTQLQIEISA-N 0 2 279.214 3.266 20 5 CGBDLN C[C@H]1C[C@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC001228970209 932061717 /nfs/dbraw/zinc/06/17/17/932061717.db2.gz HKDAKHZMUFIJFF-JZYVYDRUSA-N 0 2 281.308 3.210 20 5 CGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1C[C@H]1C1CCCC1 ZINC000593551941 347091251 /nfs/dbraw/zinc/09/12/51/347091251.db2.gz CEHXMSLWVGTLQV-RYUDHWBXSA-N 0 2 290.319 3.065 20 5 CGBDLN C[C@@H](CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1)C(C)(C)C ZINC000483432042 243284466 /nfs/dbraw/zinc/28/44/66/243284466.db2.gz GAAWTQLHZWYLBA-VIFPVBQESA-N 0 2 280.324 3.311 20 5 CGBDLN CCCc1occc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000337049861 376068000 /nfs/dbraw/zinc/06/80/00/376068000.db2.gz OFKWYDIUHANMSH-UHFFFAOYSA-N 0 2 290.275 3.098 20 5 CGBDLN O=[N+]([O-])c1ccc(-c2nc(CC3CCCC3)no2)cc1O ZINC000340919614 377320102 /nfs/dbraw/zinc/32/01/02/377320102.db2.gz YSKRHFVWBMYJLG-UHFFFAOYSA-N 0 2 289.291 3.083 20 5 CGBDLN CC(C)CC1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCC1 ZINC000345373110 378270089 /nfs/dbraw/zinc/27/00/89/378270089.db2.gz JQFFXICLAAAYEI-UHFFFAOYSA-N 0 2 292.335 3.455 20 5 CGBDLN CC(C)CCC[C@@H](C)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280796538 379793007 /nfs/dbraw/zinc/79/30/07/379793007.db2.gz OXWKDQJKXHAPOQ-LLVKDONJSA-N 0 2 294.351 3.245 20 5 CGBDLN CCn1c2ccccc2nc1-c1ccc(O)c([N+](=O)[O-])c1 ZINC000048879684 392024724 /nfs/dbraw/zinc/02/47/24/392024724.db2.gz JURRBKCIEUOJTO-UHFFFAOYSA-N 0 2 283.287 3.337 20 5 CGBDLN CC[C@@H]1CCCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000476499484 287042448 /nfs/dbraw/zinc/04/24/48/287042448.db2.gz LFCNFKWADJVGPC-ZYHUDNBSSA-N 0 2 292.335 3.455 20 5 CGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc2ccccc2[nH]1 ZINC000089531461 165211281 /nfs/dbraw/zinc/21/12/81/165211281.db2.gz RGURKUQPEPGYJN-UHFFFAOYSA-N 0 2 297.270 3.034 20 5 CGBDLN CCC1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCCC1 ZINC000092546223 165302910 /nfs/dbraw/zinc/30/29/10/165302910.db2.gz ACDDUVWBTPSDDY-UHFFFAOYSA-N 0 2 278.308 3.209 20 5 CGBDLN CCCCN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@H](C)CC ZINC000436970647 528311296 /nfs/dbraw/zinc/31/12/96/528311296.db2.gz FLJOUQXMWFJWQJ-LLVKDONJSA-N 0 2 294.351 3.341 20 5 CGBDLN CC(C)=CCC[C@@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000452543250 535363387 /nfs/dbraw/zinc/36/33/87/535363387.db2.gz PMDCXFPHUIMTGD-LLVKDONJSA-N 0 2 292.335 3.165 20 5 CGBDLN CC(=O)c1ccc2[nH]c(-c3cc([N+](=O)[O-])ccc3O)nc2c1 ZINC001251045474 805835647 /nfs/dbraw/zinc/83/56/47/805835647.db2.gz KPWZUWNLPUQKQT-UHFFFAOYSA-N 0 2 297.270 3.046 20 5 CGBDLN O=[N+]([O-])c1cc(O)cc(-c2nc3ccc(Cl)cc3[nH]2)c1 ZINC001251385515 805889295 /nfs/dbraw/zinc/88/92/95/805889295.db2.gz DMPLTIKCMYXQCN-UHFFFAOYSA-N 0 2 289.678 3.497 20 5 CGBDLN O=[N+]([O-])c1c(O)cccc1O[C@H](c1cccnc1)C1CC1 ZINC001225619806 817115928 /nfs/dbraw/zinc/11/59/28/817115928.db2.gz JDYQXRAZGGMEAK-HNNXBMFYSA-N 0 2 286.287 3.226 20 5 CGBDLN C[C@@H]1CCCC[C@H]1Oc1cccc(O)c1[N+](=O)[O-] ZINC001225619546 817115991 /nfs/dbraw/zinc/11/59/91/817115991.db2.gz CFGVWZYCMUJILJ-MWLCHTKSSA-N 0 2 251.282 3.258 20 5 CGBDLN CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cccc2ccccc21 ZINC001357880274 937182272 /nfs/dbraw/zinc/18/22/72/937182272.db2.gz IXRXHVLHKAUNFX-GDBMZVCRSA-N 0 2 298.342 3.248 20 5 CGBDLN CC(C)C[C@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])C(C)C ZINC001228970194 932061485 /nfs/dbraw/zinc/06/14/85/932061485.db2.gz HDGDICLPQJYEGO-LBPRGKRZSA-N 0 2 283.324 3.456 20 5 CGBDLN C[C@@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])c1cccc(F)c1 ZINC001228972370 932063069 /nfs/dbraw/zinc/06/30/69/932063069.db2.gz WNGYXUTYTKMDKJ-MRVPVSSYSA-N 0 2 293.250 3.285 20 5 CGBDLN CC(C)CC[C@@H](C)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228971826 932063226 /nfs/dbraw/zinc/06/32/26/932063226.db2.gz SAZQRZAWOJYSNP-SECBINFHSA-N 0 2 269.297 3.210 20 5 CGBDLN CCc1ccccc1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000358099592 529600337 /nfs/dbraw/zinc/60/03/37/529600337.db2.gz NWMOGDQUQNKJIY-UHFFFAOYSA-N 0 2 286.287 3.115 20 5 CGBDLN O=C(Nc1ccc2c(c1)CCC2)c1cc(O)ccc1[N+](=O)[O-] ZINC000336864297 213765262 /nfs/dbraw/zinc/76/52/62/213765262.db2.gz QNWPUMIYWFIBDD-UHFFFAOYSA-N 0 2 298.298 3.041 20 5 CGBDLN CCC(CC)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000536220375 376082711 /nfs/dbraw/zinc/08/27/11/376082711.db2.gz KOVSQBPNFSVERJ-SECBINFHSA-N 0 2 280.324 3.311 20 5 CGBDLN CCCC[C@@H](CC)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280829233 379802133 /nfs/dbraw/zinc/80/21/33/379802133.db2.gz SQSJQLRWLHUBHP-LLVKDONJSA-N 0 2 294.351 3.247 20 5 CGBDLN O=[N+]([O-])c1ccc(-c2nc(C3CCCC3)no2)cc1O ZINC000191245575 130208821 /nfs/dbraw/zinc/20/88/21/130208821.db2.gz GUGBBDFWLYISDJ-UHFFFAOYSA-N 0 2 275.264 3.008 20 5 CGBDLN CC[C@@H](CC(C)C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000450540251 394012950 /nfs/dbraw/zinc/01/29/50/394012950.db2.gz NAXSCMVZUXEWCJ-JTQLQIEISA-N 0 2 280.324 3.311 20 5 CGBDLN CC(C)=CCC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000452546679 394083335 /nfs/dbraw/zinc/08/33/35/394083335.db2.gz GNNCZJOLGRIAMH-NSHDSACASA-N 0 2 292.335 3.165 20 5 CGBDLN Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1C ZINC000075282965 165097453 /nfs/dbraw/zinc/09/74/53/165097453.db2.gz PLXPMQCUZZENLO-UHFFFAOYSA-N 0 2 286.287 3.170 20 5 CGBDLN Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(C)c1 ZINC000089531492 165210480 /nfs/dbraw/zinc/21/04/80/165210480.db2.gz ABDBZHYCIIUFCS-UHFFFAOYSA-N 0 2 286.287 3.170 20 5 CGBDLN CC1(C)CCCC[C@@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000447541779 280942479 /nfs/dbraw/zinc/94/24/79/280942479.db2.gz NLBNYXGYZFYXRG-LLVKDONJSA-N 0 2 292.335 3.455 20 5 CGBDLN CC1(C)CCC[C@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000361651425 281059406 /nfs/dbraw/zinc/05/94/06/281059406.db2.gz CVBHSMTWULATAI-JTQLQIEISA-N 0 2 278.308 3.065 20 5 CGBDLN O=C(/C=C/C1CCCCC1)Nc1cc([N+](=O)[O-])ccc1O ZINC000770856798 627649100 /nfs/dbraw/zinc/64/91/00/627649100.db2.gz MZVYAVUVZWSCJP-RMKNXTFCSA-N 0 2 290.319 3.375 20 5 CGBDLN O=[N+]([O-])c1ccc(-c2nnc(C3CCCC3)o2)c(O)c1 ZINC001257588517 807201969 /nfs/dbraw/zinc/20/19/69/807201969.db2.gz LGGMRMULFIPPKF-UHFFFAOYSA-N 0 2 275.264 3.008 20 5 CGBDLN Cc1ccc(C)c(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)[nH+]1 ZINC001174503369 809052202 /nfs/dbraw/zinc/05/22/02/809052202.db2.gz MBURPQOEOKUOAI-UHFFFAOYSA-N 0 2 287.275 3.048 20 5 CGBDLN CC1(C)CC=C(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC1 ZINC001556080417 938201548 /nfs/dbraw/zinc/20/15/48/938201548.db2.gz DKZGZUJFJGBYRO-UHFFFAOYSA-N 0 2 290.319 3.375 20 5 CGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1C[C@@H]1C1CCCC1 ZINC000593595975 347093234 /nfs/dbraw/zinc/09/32/34/347093234.db2.gz MMMYPSONCYCZCI-NEPJUHHUSA-N 0 2 290.319 3.065 20 5 CGBDLN C[C@H]1c2ccccc2CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436981530 372842757 /nfs/dbraw/zinc/84/27/57/372842757.db2.gz 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/nfs/dbraw/zinc/22/97/37/621229737.db2.gz FHTXFKBLQBJNOQ-UHFFFAOYSA-N 0 2 285.303 3.185 20 5 CGBDLN O=[N+]([O-])c1cc(Nc2ccc(O)c(F)c2F)ccc1O ZINC001210394979 814442303 /nfs/dbraw/zinc/44/23/03/814442303.db2.gz LJYCHKVJSWFWPM-UHFFFAOYSA-N 0 2 282.202 3.028 20 5 CGBDLN O=[N+]([O-])c1c(O)cccc1O[C@H]1CCOc2ccccc21 ZINC001225620660 817115858 /nfs/dbraw/zinc/11/58/58/817115858.db2.gz SBBXULWFLNAJGQ-ZDUSSCGKSA-N 0 2 287.271 3.203 20 5 CGBDLN C[C@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])c1ccccc1 ZINC001228967982 932060444 /nfs/dbraw/zinc/06/04/44/932060444.db2.gz FYNIMGRAUAHSBH-VIFPVBQESA-N 0 2 275.260 3.146 20 5 CGBDLN C[C@@H]1CCC[C@@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])[C@H]1C ZINC001228972808 932063334 /nfs/dbraw/zinc/06/33/34/932063334.db2.gz DAOHGCOPPXROHW-VDDIYKPWSA-N 0 2 281.308 3.210 20 5 CGBDLN C[C@@H]1CC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C[C@@H]1C ZINC001466628962 937711136 /nfs/dbraw/zinc/71/11/36/937711136.db2.gz MDTQIEXNCJCBGU-VWYCJHECSA-N 0 2 292.335 3.311 20 5 CGBDLN CC(C)c1occc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000435796623 372812405 /nfs/dbraw/zinc/81/24/05/372812405.db2.gz WVBSQUYLWKIWJU-UHFFFAOYSA-N 0 2 290.275 3.269 20 5 CGBDLN Cc1cc(F)ccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092545960 249034294 /nfs/dbraw/zinc/03/42/94/249034294.db2.gz CSSPMRWJIQAVHX-UHFFFAOYSA-N 0 2 290.250 3.000 20 5 CGBDLN C[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)c1ccsc1 ZINC000346653897 378663567 /nfs/dbraw/zinc/66/35/67/378663567.db2.gz DKFGROPJLYXKFG-QMMMGPOBSA-N 0 2 292.316 3.104 20 5 CGBDLN CCCC[C@H](CC)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280829238 379802317 /nfs/dbraw/zinc/80/23/17/379802317.db2.gz SQSJQLRWLHUBHP-NSHDSACASA-N 0 2 294.351 3.247 20 5 CGBDLN CCC[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000187361235 392787947 /nfs/dbraw/zinc/78/79/47/392787947.db2.gz PPZLKUVZGHDWCL-NSHDSACASA-N 0 2 292.335 3.095 20 5 CGBDLN C[C@@H]1CN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)c2ccccc21 ZINC000164234429 287530125 /nfs/dbraw/zinc/53/01/25/287530125.db2.gz OOARCTSOTNFNQB-SNVBAGLBSA-N 0 2 298.298 3.064 20 5 CGBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)C1CCCCCC1 ZINC000184630176 288922314 /nfs/dbraw/zinc/92/23/14/288922314.db2.gz QLFQXOCFWRXORV-UHFFFAOYSA-N 0 2 292.335 3.095 20 5 CGBDLN CC[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000476621437 535818759 /nfs/dbraw/zinc/81/87/59/535818759.db2.gz AJVFVHIQCIFGSO-ZYHUDNBSSA-N 0 2 292.335 3.455 20 5 CGBDLN CCCC[C@@H](CCC)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001294375601 809467038 /nfs/dbraw/zinc/46/70/38/809467038.db2.gz DQLWOJNRUIJZDM-LLVKDONJSA-N 0 2 294.351 3.389 20 5 CGBDLN C[C@@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC001228971919 932062820 /nfs/dbraw/zinc/06/28/20/932062820.db2.gz STOKWTIGQXYRCQ-MRVPVSSYSA-N 0 2 293.250 3.285 20 5 CGBDLN CC(C)(C)C1CC(C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC001466629324 937710909 /nfs/dbraw/zinc/71/09/09/937710909.db2.gz YQHBQKSZAYEOHW-UHFFFAOYSA-N 0 2 292.335 3.311 20 5 CGBDLN C[C@@H]1CC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C[C@H]1C ZINC001466628960 937711043 /nfs/dbraw/zinc/71/10/43/937711043.db2.gz MDTQIEXNCJCBGU-MXWKQRLJSA-N 0 2 292.335 3.311 20 5 CGBDLN CC1=CC[C@@](C)(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CC1 ZINC000597491066 347578605 /nfs/dbraw/zinc/57/86/05/347578605.db2.gz FLTRLTSJMLKYIV-OAHLLOKOSA-N 0 2 290.319 3.375 20 5 CGBDLN O=C(Nc1ccccc1Cl)c1cc(O)ccc1[N+](=O)[O-] ZINC000236563407 376667634 /nfs/dbraw/zinc/66/76/34/376667634.db2.gz UOFFLLVJTUNWIJ-UHFFFAOYSA-N 0 2 292.678 3.206 20 5 CGBDLN CCC(CC)N(C(=O)c1cc([N+](=O)[O-])ccc1O)C1CC1 ZINC000543719764 376669250 /nfs/dbraw/zinc/66/92/50/376669250.db2.gz RXNOPJGADLVYSL-UHFFFAOYSA-N 0 2 292.335 3.094 20 5 CGBDLN O=C(NCC1CCCCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000389483202 379901339 /nfs/dbraw/zinc/90/13/39/379901339.db2.gz QCQHXLDRRCTYNM-UHFFFAOYSA-N 0 2 292.335 3.001 20 5 CGBDLN CC[C@@H](C)CCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000354620214 380503870 /nfs/dbraw/zinc/50/38/70/380503870.db2.gz MNLJUKWSKRPLPM-SECBINFHSA-N 0 2 266.297 3.065 20 5 CGBDLN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1cccs1 ZINC000089531558 165210136 /nfs/dbraw/zinc/21/01/36/165210136.db2.gz HCFXTSFSVPEGGA-QMMMGPOBSA-N 0 2 292.316 3.104 20 5 CGBDLN C[C@@H]1CCC[C@@H]1CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000187717874 260163680 /nfs/dbraw/zinc/16/36/80/260163680.db2.gz RADCQCKHTJANOT-NXEZZACHSA-N 0 2 278.308 3.065 20 5 CGBDLN Cc1ccc(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)cc1 ZINC000191291233 270074755 /nfs/dbraw/zinc/07/47/55/270074755.db2.gz GCULRGCVSOFOQZ-UHFFFAOYSA-N 0 2 297.270 3.326 20 5 CGBDLN O=C(Nc1cccc2[nH]ccc21)c1ccc(O)c([N+](=O)[O-])c1 ZINC000164468225 534369457 /nfs/dbraw/zinc/36/94/57/534369457.db2.gz ZFMTVSCZLBPCHY-UHFFFAOYSA-N 0 2 297.270 3.034 20 5 CGBDLN CCCC(C)(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000426960202 527983676 /nfs/dbraw/zinc/98/36/76/527983676.db2.gz OXYHTNLWJCSAOC-UHFFFAOYSA-N 0 2 280.324 3.455 20 5 CGBDLN CCCCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H](C)CC ZINC000436984882 528311235 /nfs/dbraw/zinc/31/12/35/528311235.db2.gz NVCQEPOIDSCXMZ-LLVKDONJSA-N 0 2 294.351 3.341 20 5 CGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(Cl)cs1 ZINC000760474009 626972889 /nfs/dbraw/zinc/97/28/89/626972889.db2.gz WBCFHNDDPVNTAS-UHFFFAOYSA-N 0 2 298.707 3.268 20 5 CGBDLN C/C=C(/C=C\C(=O)Nc1cc([N+](=O)[O-])ccc1O)CC ZINC000770856976 627648530 /nfs/dbraw/zinc/64/85/30/627648530.db2.gz OSOLLJUNBDMRJB-IKJNXXLOSA-N 0 2 276.292 3.151 20 5 CGBDLN O=[N+]([O-])c1ccc(O)cc1-c1nc2c(cccc2Cl)[nH]1 ZINC001250853012 805787608 /nfs/dbraw/zinc/78/76/08/805787608.db2.gz MLSKLGVGBCJVJO-UHFFFAOYSA-N 0 2 289.678 3.497 20 5 CGBDLN Cc1ccc2nc(-c3cc(O)cc([N+](=O)[O-])c3)[nH]c2c1C ZINC001251386028 805889340 /nfs/dbraw/zinc/88/93/40/805889340.db2.gz QPRKSFSFNAXENB-UHFFFAOYSA-N 0 2 283.287 3.461 20 5 CGBDLN Cc1cccc(-c2nnc(-c3cc(O)ccc3[N+](=O)[O-])o2)c1 ZINC001253710978 806282252 /nfs/dbraw/zinc/28/22/52/806282252.db2.gz LMVPYNKDFPOXJY-UHFFFAOYSA-N 0 2 297.270 3.326 20 5 CGBDLN CCC[C@@H]1CCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001138013327 803822573 /nfs/dbraw/zinc/82/25/73/803822573.db2.gz LTBFKMKGTUUANH-PWSUYJOCSA-N 0 2 292.335 3.455 20 5 CGBDLN CC[C@H]1CCC[C@]1(C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001295973099 809497118 /nfs/dbraw/zinc/49/71/18/809497118.db2.gz RVTXTQSZEAZELC-BONVTDFDSA-N 0 2 292.335 3.455 20 5 CGBDLN CCCCC[C@@H](C)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228969720 932061844 /nfs/dbraw/zinc/06/18/44/932061844.db2.gz ATWCDNOJAVQUMZ-SECBINFHSA-N 0 2 269.297 3.354 20 5 CGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1C[C@@H]1C1CCCC1 ZINC000593595979 347093154 /nfs/dbraw/zinc/09/31/54/347093154.db2.gz MMMYPSONCYCZCI-VXGBXAGGSA-N 0 2 290.319 3.065 20 5 CGBDLN CCc1nc(C)cc(Oc2cccc(C)c2[N+](=O)[O-])n1 ZINC000286424556 380211964 /nfs/dbraw/zinc/21/19/64/380211964.db2.gz HOYCLURASUCZHM-UHFFFAOYSA-N 0 2 273.292 3.356 20 5 CGBDLN C[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000424754828 296325997 /nfs/dbraw/zinc/32/59/97/296325997.db2.gz DCMNTMMCLSTQMI-KOLCDFICSA-N 0 2 278.308 3.065 20 5 CGBDLN C[C@@H]1CCCC[C@@H]1CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000548190468 393187455 /nfs/dbraw/zinc/18/74/55/393187455.db2.gz KHNSWTOIXYKTDT-GHMZBOCLSA-N 0 2 292.335 3.455 20 5 CGBDLN O=C(Nc1cccc(Cl)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000175399012 534347978 /nfs/dbraw/zinc/34/79/78/534347978.db2.gz WISHVUVXSNTZOS-UHFFFAOYSA-N 0 2 292.678 3.206 20 5 CGBDLN CCC[C@](C)(CC)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000476630865 535754559 /nfs/dbraw/zinc/75/45/59/535754559.db2.gz OJZVLIPFMLZAJZ-AWEZNQCLSA-N 0 2 280.324 3.455 20 5 CGBDLN O=[N+]([O-])c1cccc(O)c1-c1nnc(-c2ccccc2)o1 ZINC001253130865 806178205 /nfs/dbraw/zinc/17/82/05/806178205.db2.gz HSOMXSJFKUPLPS-UHFFFAOYSA-N 0 2 283.243 3.017 20 5 CGBDLN CCCCCc1nnc(-c2c(O)cccc2[N+](=O)[O-])o1 ZINC001256145291 806834902 /nfs/dbraw/zinc/83/49/02/806834902.db2.gz YLJYARQQIOWTJF-UHFFFAOYSA-N 0 2 277.280 3.083 20 5 CGBDLN Cc1cnc(Nc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC001248589997 804958483 /nfs/dbraw/zinc/95/84/83/804958483.db2.gz CSVHCQXYCKMDSA-UHFFFAOYSA-N 0 2 253.645 3.288 20 5 CGBDLN COc1cccc([C@@H](C)Oc2cccc(O)c2[N+](=O)[O-])c1 ZINC001225619975 817115414 /nfs/dbraw/zinc/11/54/14/817115414.db2.gz LYNXFTFLUQAJQL-SNVBAGLBSA-N 0 2 289.287 3.449 20 5 CGBDLN COc1ccc([C@@H](C)Oc2cccc(O)c2[N+](=O)[O-])cc1 ZINC001225619800 817115464 /nfs/dbraw/zinc/11/54/64/817115464.db2.gz IWZBOHOAPGRNNA-SNVBAGLBSA-N 0 2 289.287 3.449 20 5 CGBDLN