smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1c([O-])cc([O-])cc1O[C@H]1CCCC[C@@H]1F ZINC001228975269 776674628 /nfs/dbraw/zinc/67/46/28/776674628.db2.gz YYIZPMJGCNIQQE-WPRPVWTQSA-N -2 3 271.244 2.666 20 5 CFBDHL C[C@H]1CC[C@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])CC1 ZINC001228969886 776672610 /nfs/dbraw/zinc/67/26/10/776672610.db2.gz DKUOHAJZWABAGL-CZMCAQCFSA-N -2 3 267.281 2.964 20 5 CFBDHL O=[N+]([O-])c1c([O-])cc([O-])cc1O[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC001228974655 776673597 /nfs/dbraw/zinc/67/35/97/776673597.db2.gz VLPXQYZIEJRKQZ-VHSKPIJISA-N -2 3 265.265 2.573 20 5 CFBDHL C[C@H]1CCC[C@@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])C1 ZINC001228971969 776674109 /nfs/dbraw/zinc/67/41/09/776674109.db2.gz TXBXPEJNYQRDQG-WCBMZHEXSA-N -2 3 267.281 2.964 20 5 CFBDHL CCC[C@H](CC)Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228972354 776674497 /nfs/dbraw/zinc/67/44/97/776674497.db2.gz VYBAXUVZAOQJEX-VIFPVBQESA-N -2 3 255.270 2.964 20 5 CFBDHL O=[N+]([O-])c1c([O-])cc([O-])cc1O[C@H]1CCCC[C@H]1F ZINC001228975263 776674836 /nfs/dbraw/zinc/67/48/36/776674836.db2.gz YYIZPMJGCNIQQE-SCZZXKLOSA-N -2 3 271.244 2.666 20 5 CFBDHL Cc1ccc([O-])c(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000129426624 377425332 /nfs/dbraw/zinc/42/53/32/377425332.db2.gz KDDSRHFJASDRAH-UHFFFAOYSA-N -2 3 288.259 2.567 20 5 CFBDHL Cc1cccc([O-])c1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000183758179 381314818 /nfs/dbraw/zinc/31/48/18/381314818.db2.gz BXGUUMSRZDUEHH-UHFFFAOYSA-N -2 3 288.259 2.567 20 5 CFBDHL O=c1nc(C=Cc2sccc2Cl)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352014468 382130458 /nfs/dbraw/zinc/13/04/58/382130458.db2.gz QBJZLZGRIBXSKA-UPHRSURJSA-N -2 3 299.695 2.681 20 5 CFBDHL O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1cccc([O-])c1 ZINC000170967329 526356403 /nfs/dbraw/zinc/35/64/03/526356403.db2.gz URJZURPRGHQFMT-SNAWJCMRSA-N -2 3 286.243 2.564 20 5 CFBDHL CCCC(=O)[C@H](CCC)Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228970204 776671895 /nfs/dbraw/zinc/67/18/95/776671895.db2.gz HHSNKYNHFPIFEI-LBPRGKRZSA-N -2 3 297.307 2.923 20 5 CFBDHL C[C@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])C1CCC1 ZINC001228971307 776672571 /nfs/dbraw/zinc/67/25/71/776672571.db2.gz NLBMJPLNPLPXLP-ZETCQYMHSA-N -2 3 253.254 2.573 20 5 CFBDHL O=[N+]([O-])c1c([O-])cc([O-])cc1O[C@@H]1CC2CCC1CC2 ZINC001228970176 776672803 /nfs/dbraw/zinc/67/28/03/776672803.db2.gz GPNIOVCELYKCNC-SHVIVCPWSA-N -2 3 279.292 2.964 20 5 CFBDHL O=[N+]([O-])c1c([O-])cc([O-])cc1O[C@H]1CCC(F)(F)C1 ZINC001228973845 776674033 /nfs/dbraw/zinc/67/40/33/776674033.db2.gz NITBWOTXXWDVAP-ZETCQYMHSA-N -2 3 275.207 2.573 20 5 CFBDHL O=C(Nc1cc(Cl)ccc1[O-])c1ccc([N+](=O)[O-])[n-]1 ZINC000340242701 383389081 /nfs/dbraw/zinc/38/90/81/383389081.db2.gz FADKCTACLRTCIM-UHFFFAOYSA-N -2 3 281.655 2.534 20 5 CFBDHL CCCC[C@@H](C)Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228970613 776672684 /nfs/dbraw/zinc/67/26/84/776672684.db2.gz JCOXNPQYZOXZRU-MRVPVSSYSA-N -2 3 255.270 2.964 20 5 CFBDHL C[C@@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])c1nccs1 ZINC001228972646 776674463 /nfs/dbraw/zinc/67/44/63/776674463.db2.gz BGRIANVVLTYOIC-ZCFIWIBFSA-N -2 3 282.277 2.603 20 5 CFBDHL O=[N+]([O-])c1c([O-])cc([O-])cc1OC(C1CC1)C1CC1 ZINC001228972509 776674773 /nfs/dbraw/zinc/67/47/73/776674773.db2.gz XDJFDEUDIVZZDY-UHFFFAOYSA-N -2 3 265.265 2.573 20 5 CFBDHL Cc1cccc([O-])c1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000185917709 381778196 /nfs/dbraw/zinc/77/81/96/381778196.db2.gz RCFDGWHIZWPSBP-UHFFFAOYSA-N -2 3 288.259 2.567 20 5 CFBDHL O=c1cccc2oc3cc([O-])c(OC4CC4)cc3c([O-])c1-2 ZINC001227308237 776176375 /nfs/dbraw/zinc/17/63/75/776176375.db2.gz ATNGBYUYXLILAR-UHFFFAOYSA-N -2 3 284.267 2.899 20 5 CFBDHL CC(C)C[C@@H](C)Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228969942 776671969 /nfs/dbraw/zinc/67/19/69/776671969.db2.gz DXTMNNXLSYRAKO-MRVPVSSYSA-N -2 3 255.270 2.819 20 5 CFBDHL COC(C)(C)C[C@H](C)Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228973139 776673913 /nfs/dbraw/zinc/67/39/13/776673913.db2.gz GKBHEHBPUMTVNY-QMMMGPOBSA-N -2 3 285.296 2.588 20 5 CFBDHL Cc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1[O-] ZINC000092549228 393788402 /nfs/dbraw/zinc/78/84/02/393788402.db2.gz ZVHBZIWNQVPJLP-UHFFFAOYSA-N -2 3 288.259 2.567 20 5 CFBDHL O=C([N-]c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1nccs1 ZINC000618389055 352764917 /nfs/dbraw/zinc/76/49/17/352764917.db2.gz FXYDRYHNGDRMNW-UHFFFAOYSA-N -2 3 299.695 2.663 20 5 CFBDHL O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1ccc([O-])cc1 ZINC000052507476 373445300 /nfs/dbraw/zinc/44/53/00/373445300.db2.gz VCCVTUMRKHUUNP-ZZXKWVIFSA-N -2 3 286.243 2.564 20 5 CFBDHL Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c([O-])c1 ZINC000130338877 394108770 /nfs/dbraw/zinc/10/87/70/394108770.db2.gz OXQFPKRLYVEQPT-UHFFFAOYSA-N -2 3 288.259 2.567 20 5 CFBDHL C[C@@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])c1ccncc1 ZINC001228968921 776670762 /nfs/dbraw/zinc/67/07/62/776670762.db2.gz UGYVXJMFSAXDMV-MRVPVSSYSA-N -2 3 276.248 2.541 20 5 CFBDHL C[C@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])c1nccs1 ZINC001228972645 776674280 /nfs/dbraw/zinc/67/42/80/776674280.db2.gz BGRIANVVLTYOIC-LURJTMIESA-N -2 3 282.277 2.603 20 5 CFBDHL CC[C@@H](C)[C@H](C)Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228972182 776674816 /nfs/dbraw/zinc/67/48/16/776674816.db2.gz TZVZNCCNVKSVJR-SFYZADRCSA-N -2 3 255.270 2.819 20 5 CFBDHL Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c([O-])c1 ZINC000017410746 372134275 /nfs/dbraw/zinc/13/42/75/372134275.db2.gz VMKOHHWXXYYOEF-UHFFFAOYSA-N -2 3 288.259 2.567 20 5 CFBDHL O=c1cc(C=Cc2ccc([O-])c([N+](=O)[O-])c2)nc(C2CC2)[n-]1 ZINC000436932764 394035860 /nfs/dbraw/zinc/03/58/60/394035860.db2.gz ORUJQTDRASYHBX-ORCRQEGFSA-N -2 3 299.286 2.844 20 5 CFBDHL C[C@H]1CC[C@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])C1 ZINC001228971942 776672795 /nfs/dbraw/zinc/67/27/95/776672795.db2.gz TUWTWIRVEFDKEM-CBAPKCEASA-N -2 3 253.254 2.573 20 5 CFBDHL C[C@@H]1CCC[C@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])C1 ZINC001228971967 776672811 /nfs/dbraw/zinc/67/28/11/776672811.db2.gz TXBXPEJNYQRDQG-SCZZXKLOSA-N -2 3 267.281 2.964 20 5 CFBDHL C[C@H]1CCC[C@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])C1 ZINC001228971970 776673858 /nfs/dbraw/zinc/67/38/58/776673858.db2.gz TXBXPEJNYQRDQG-WPRPVWTQSA-N -2 3 267.281 2.964 20 5 CFBDHL C[C@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])c1ncccc1F ZINC001228973116 776674401 /nfs/dbraw/zinc/67/44/01/776674401.db2.gz FXHXKHJYEGXYLU-ZETCQYMHSA-N -2 3 294.238 2.680 20 5 CFBDHL C[C@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])c1ccncc1F ZINC001228973208 776674693 /nfs/dbraw/zinc/67/46/93/776674693.db2.gz HYSSGZKJGYWYTC-ZETCQYMHSA-N -2 3 294.238 2.680 20 5 CFBDHL Cc1ccc([O-])c(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000354494012 381303695 /nfs/dbraw/zinc/30/36/95/381303695.db2.gz DRZCTWYDRIABGC-UHFFFAOYSA-N -2 3 288.259 2.567 20 5 CFBDHL O=C(Nc1ccc(Cl)cc1[O-])c1ccc([N+](=O)[O-])[n-]1 ZINC000340330418 383414886 /nfs/dbraw/zinc/41/48/86/383414886.db2.gz MEPLWEYIVFKEDW-UHFFFAOYSA-N -2 3 281.655 2.534 20 5 CFBDHL Cc1ccc([C@H](C)Oc2cc([O-])cc([O-])c2[N+](=O)[O-])cn1 ZINC001228971192 776672199 /nfs/dbraw/zinc/67/21/99/776672199.db2.gz LIROMAQSJDZFCN-VIFPVBQESA-N -2 3 290.275 2.849 20 5 CFBDHL CCC[C@@H](CC)Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228972353 776674000 /nfs/dbraw/zinc/67/40/00/776674000.db2.gz VYBAXUVZAOQJEX-SECBINFHSA-N -2 3 255.270 2.964 20 5 CFBDHL O=[N+]([O-])c1c([O-])cc([O-])cc1OC1CCCCC1 ZINC001228972281 776674208 /nfs/dbraw/zinc/67/42/08/776674208.db2.gz VGOMLZRZWKHTEL-UHFFFAOYSA-N -2 3 253.254 2.718 20 5 CFBDHL O=c1cc(C=Cc2ccc([O-])c([N+](=O)[O-])c2)nc(C2CC2)[n-]1 ZINC000436932762 394036305 /nfs/dbraw/zinc/03/63/05/394036305.db2.gz ORUJQTDRASYHBX-KTAJNNJTSA-N -2 3 299.286 2.844 20 5 CFBDHL C[C@@H]1CC[C@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])C1 ZINC001228971941 776672352 /nfs/dbraw/zinc/67/23/52/776672352.db2.gz TUWTWIRVEFDKEM-APPZFPTMSA-N -2 3 253.254 2.573 20 5 CFBDHL C[C@@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])c1ccccn1 ZINC001228971548 776672837 /nfs/dbraw/zinc/67/28/37/776672837.db2.gz QFRVRXRBWLJFOA-MRVPVSSYSA-N -2 3 276.248 2.541 20 5 CFBDHL CC1(C)C(=O)CCC[C@@H]1Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228974980 776673807 /nfs/dbraw/zinc/67/38/07/776673807.db2.gz WLSQQOUEOXVZGU-LBPRGKRZSA-N -2 3 295.291 2.533 20 5 CFBDHL CC(C)[C@@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])C(F)(F)F ZINC001228972567 776674448 /nfs/dbraw/zinc/67/44/48/776674448.db2.gz YVSHQQMIHNKNAB-SNVBAGLBSA-N -2 3 295.213 2.972 20 5 CFBDHL Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1[O-] ZINC000159431563 348012505 /nfs/dbraw/zinc/01/25/05/348012505.db2.gz AICUFDGRAPFEND-UHFFFAOYSA-N -2 3 288.259 2.567 20 5 CFBDHL O=c1cc(C=Cc2ccc([N+](=O)[O-])c([O-])c2)nc(C2CC2)[n-]1 ZINC000352021038 382133257 /nfs/dbraw/zinc/13/32/57/382133257.db2.gz LWTDQIMOMOGJPL-KTAJNNJTSA-N -2 3 299.286 2.844 20 5 CFBDHL Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1[O-] ZINC000193854978 382727178 /nfs/dbraw/zinc/72/71/78/382727178.db2.gz ISOHXNBWEYGWNZ-UHFFFAOYSA-N -2 3 288.259 2.567 20 5 CFBDHL Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c([O-])c1 ZINC000092547573 393788964 /nfs/dbraw/zinc/78/89/64/393788964.db2.gz VGRMIWARDLSRRA-UHFFFAOYSA-N -2 3 288.259 2.567 20 5 CFBDHL C[C@@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])C1CCC1 ZINC001228971306 776672890 /nfs/dbraw/zinc/67/28/90/776672890.db2.gz NLBMJPLNPLPXLP-SSDOTTSWSA-N -2 3 253.254 2.573 20 5 CFBDHL O=c1nc(C=Cc2sccc2Cl)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352014467 382129384 /nfs/dbraw/zinc/12/93/84/382129384.db2.gz QBJZLZGRIBXSKA-OWOJBTEDSA-N -2 3 299.695 2.681 20 5 CFBDHL Cc1ccc(-c2nc3ccc([O-])cc3c(=O)[n-]2)cc1[N+](=O)[O-] ZINC000351864408 163206277 /nfs/dbraw/zinc/20/62/77/163206277.db2.gz XRDXPRLDZNUDQX-UHFFFAOYSA-N -2 3 297.270 2.925 20 5 CFBDHL CC1CCC(Oc2cc([O-])cc([O-])c2[N+](=O)[O-])CC1 ZINC001228969887 776672952 /nfs/dbraw/zinc/67/29/52/776672952.db2.gz DKUOHAJZWABAGL-UHFFFAOYSA-N -2 3 267.281 2.964 20 5 CFBDHL C[C@@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])C1CCCC1 ZINC001228972616 776674072 /nfs/dbraw/zinc/67/40/72/776674072.db2.gz AOWVSULJZIBHNO-MRVPVSSYSA-N -2 3 267.281 2.964 20 5 CFBDHL Cc1cccc([O-])c1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182178869 381012960 /nfs/dbraw/zinc/01/29/60/381012960.db2.gz ZDYSCYSDCPSUDI-UHFFFAOYSA-N -2 3 288.259 2.567 20 5 CFBDHL Cc1ccc([N+](=O)[O-])cc1-c1nc2ccc([O-])cc2c(=O)[n-]1 ZINC000351855470 382066794 /nfs/dbraw/zinc/06/67/94/382066794.db2.gz TXQUDYDCRBNEON-UHFFFAOYSA-N -2 3 297.270 2.925 20 5 CFBDHL O=[N+]([O-])c1ccc(-c2nc(-c3ccc([O-])cc3)no2)cc1[O-] ZINC000436939218 383898047 /nfs/dbraw/zinc/89/80/47/383898047.db2.gz NEPUYXDXJFABEK-UHFFFAOYSA-N -2 3 299.242 2.723 20 5 CFBDHL C[C@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)C1=CC=C[CH]1 ZINC001227745953 776277596 /nfs/dbraw/zinc/27/75/96/776277596.db2.gz PFZXJKSUJCVMQA-VIFPVBQESA-N -2 3 270.268 2.939 20 5 CFBDHL C[C@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)C1=CC=C[CH]1 ZINC001227745953 776277601 /nfs/dbraw/zinc/27/76/01/776277601.db2.gz PFZXJKSUJCVMQA-VIFPVBQESA-N -2 3 270.268 2.939 20 5 CFBDHL CC(C)C[C@H](C)Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228969944 776672399 /nfs/dbraw/zinc/67/23/99/776672399.db2.gz DXTMNNXLSYRAKO-QMMMGPOBSA-N -2 3 255.270 2.819 20 5 CFBDHL C[C@H]1CC[C@@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])CC1 ZINC001228972820 776673626 /nfs/dbraw/zinc/67/36/26/776673626.db2.gz DKUOHAJZWABAGL-WAAGHKOSSA-N -2 3 267.281 2.964 20 5 CFBDHL CC1(C)CC(=O)CC[C@@H]1Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228972356 776673973 /nfs/dbraw/zinc/67/39/73/776673973.db2.gz WBOKQCVHILKLAP-LBPRGKRZSA-N -2 3 295.291 2.533 20 5 CFBDHL CC1(C)CC(=O)CC[C@H]1Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228972355 776674720 /nfs/dbraw/zinc/67/47/20/776674720.db2.gz WBOKQCVHILKLAP-GFCCVEGCSA-N -2 3 295.291 2.533 20 5 CFBDHL C[C@H]1CCCC[C@@H]1Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228969855 778216507 /nfs/dbraw/zinc/21/65/07/778216507.db2.gz DDPCZIPYTFYPHQ-KWQFWETISA-N -2 3 267.281 2.964 20 5 CFBDHL Cc1ccc(NC(=O)c2cccc([O-])c2[N+](=O)[O-])c([O-])c1 ZINC000355464410 130307670 /nfs/dbraw/zinc/30/76/70/130307670.db2.gz JRWBMTKXZYHSGW-UHFFFAOYSA-N -2 3 288.259 2.567 20 5 CFBDHL CCCC(=O)[C@@H](CCC)Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228970203 776672305 /nfs/dbraw/zinc/67/23/05/776672305.db2.gz HHSNKYNHFPIFEI-GFCCVEGCSA-N -2 3 297.307 2.923 20 5 CFBDHL C[C@H]1CCCC[C@H]1Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228969848 776672629 /nfs/dbraw/zinc/67/26/29/776672629.db2.gz DDPCZIPYTFYPHQ-GZMMTYOYSA-N -2 3 267.281 2.964 20 5 CFBDHL CC(C)[C@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])C(F)(F)F ZINC001228972566 776673832 /nfs/dbraw/zinc/67/38/32/776673832.db2.gz YVSHQQMIHNKNAB-JTQLQIEISA-N -2 3 295.213 2.972 20 5 CFBDHL C[C@@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])c1ccco1 ZINC001228974520 776674424 /nfs/dbraw/zinc/67/44/24/776674424.db2.gz UCOMDANHNRTWHD-SSDOTTSWSA-N -2 3 265.221 2.739 20 5 CFBDHL Cc1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c([O-])c1 ZINC000163993357 379000343 /nfs/dbraw/zinc/00/03/43/379000343.db2.gz DCLPHMPBPAEYAX-UHFFFAOYSA-N -2 3 288.259 2.567 20 5 CFBDHL O=c1cc(C=Cc2ccc([N+](=O)[O-])c([O-])c2)nc(C2CC2)[n-]1 ZINC000352021039 382133612 /nfs/dbraw/zinc/13/36/12/382133612.db2.gz LWTDQIMOMOGJPL-ORCRQEGFSA-N -2 3 299.286 2.844 20 5 CFBDHL O=c1nc(C=Cc2ccc(Cl)s2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352021295 382133773 /nfs/dbraw/zinc/13/37/73/382133773.db2.gz ONAPOBIFMJZAKX-HNQUOIGGSA-N -2 3 299.695 2.681 20 5 CFBDHL Cc1ccc([O-])c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000092547600 393788338 /nfs/dbraw/zinc/78/83/38/393788338.db2.gz WRDJFALPQFLQAU-UHFFFAOYSA-N -2 3 288.259 2.567 20 5 CFBDHL Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1[O-] ZINC000174977149 379973922 /nfs/dbraw/zinc/97/39/22/379973922.db2.gz PWIHIQQAYRRLHD-UHFFFAOYSA-N -2 3 288.259 2.567 20 5 CFBDHL C[C@@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])c1ccncc1F ZINC001228973207 776674298 /nfs/dbraw/zinc/67/42/98/776674298.db2.gz HYSSGZKJGYWYTC-SSDOTTSWSA-N -2 3 294.238 2.680 20 5 CFBDHL Cc1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c([O-])c1 ZINC000355240417 381698796 /nfs/dbraw/zinc/69/87/96/381698796.db2.gz NJBOBNKKEVOILQ-UHFFFAOYSA-N -2 3 288.259 2.567 20 5 CFBDHL O=[N+]([O-])c1c([O-])cc([O-])cc1OC1CCC(F)(F)CC1 ZINC001228972590 776674268 /nfs/dbraw/zinc/67/42/68/776674268.db2.gz ZSFJMCXQAXLVOM-UHFFFAOYSA-N -2 3 289.234 2.963 20 5 CFBDHL CCCCOC[C@H](C)Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228970163 776671876 /nfs/dbraw/zinc/67/18/76/776671876.db2.gz GLUGRWPTKRJBKQ-VIFPVBQESA-N -2 3 285.296 2.590 20 5 CFBDHL O=[N+]([O-])c1c([O-])cc([O-])cc1O[C@@H]1CCC(F)(F)C1 ZINC001228973842 776674096 /nfs/dbraw/zinc/67/40/96/776674096.db2.gz NITBWOTXXWDVAP-SSDOTTSWSA-N -2 3 275.207 2.573 20 5 CFBDHL CC[C@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])C(C)C ZINC001228975386 776674733 /nfs/dbraw/zinc/67/47/33/776674733.db2.gz ZUVQZDPAXKIGOH-JTQLQIEISA-N -2 3 255.270 2.819 20 5 CFBDHL O=C(Nc1cccc(Cl)c1[O-])c1ccc([N+](=O)[O-])[n-]1 ZINC000340320114 383413051 /nfs/dbraw/zinc/41/30/51/383413051.db2.gz ZAIQVTJWYRAHNC-UHFFFAOYSA-N -2 3 281.655 2.534 20 5 CFBDHL O=[N+]([O-])c1cc(Nc2c([O-])cccc2F)ccc1[O-] ZINC001210394645 770278877 /nfs/dbraw/zinc/27/88/77/770278877.db2.gz FEGRZAMGARRORA-UHFFFAOYSA-N -2 3 264.212 2.889 20 5 CFBDHL C[C@@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)C1=CC=C[CH]1 ZINC001227745950 776276823 /nfs/dbraw/zinc/27/68/23/776276823.db2.gz PFZXJKSUJCVMQA-SECBINFHSA-N -2 3 270.268 2.939 20 5 CFBDHL C[C@@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)C1=CC=C[CH]1 ZINC001227745950 776276830 /nfs/dbraw/zinc/27/68/30/776276830.db2.gz PFZXJKSUJCVMQA-SECBINFHSA-N -2 3 270.268 2.939 20 5 CFBDHL Cc1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c([O-])c1 ZINC000345640769 154228273 /nfs/dbraw/zinc/22/82/73/154228273.db2.gz MQEMFMMDZMXBQV-UHFFFAOYSA-N -2 3 288.259 2.567 20 5 CFBDHL CC[C@@H](C)[C@@H](C)Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228971984 776674141 /nfs/dbraw/zinc/67/41/41/776674141.db2.gz TZVZNCCNVKSVJR-HTQZYQBOSA-N -2 3 255.270 2.819 20 5 CFBDHL CC[C@@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])C(C)C ZINC001228975391 776674710 /nfs/dbraw/zinc/67/47/10/776674710.db2.gz ZUVQZDPAXKIGOH-SNVBAGLBSA-N -2 3 255.270 2.819 20 5 CFBDHL Cc1cccc([O-])c1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000183079575 232409022 /nfs/dbraw/zinc/40/90/22/232409022.db2.gz FMKARJSBJROYDN-UHFFFAOYSA-N -2 3 288.259 2.567 20 5 CFBDHL O=C(Nc1ccc([O-])c(Cl)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000085204467 374796092 /nfs/dbraw/zinc/79/60/92/374796092.db2.gz YBJVRTHVHDVABB-UHFFFAOYSA-N -2 3 281.655 2.534 20 5 CFBDHL C[C@@H](Cc1ccco1)Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228972631 776674169 /nfs/dbraw/zinc/67/41/69/776674169.db2.gz BCDAZLDZQJAQDD-QMMMGPOBSA-N -2 3 279.248 2.609 20 5 CFBDHL C[C@@H]1CCCC[C@H]1Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228969858 778216488 /nfs/dbraw/zinc/21/64/88/778216488.db2.gz DDPCZIPYTFYPHQ-LDYMZIIASA-N -2 3 267.281 2.964 20 5 CFBDHL O=c1c2cccc([O-])c2oc2cc([O-])cc(OC3CC3)c21 ZINC001234741076 778294486 /nfs/dbraw/zinc/29/44/86/778294486.db2.gz FOJHQFUIEDLBGU-UHFFFAOYSA-N -2 3 284.267 2.899 20 5 CFBDHL O=c1nc(C=Cc2ccc(Cl)s2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352021296 382134515 /nfs/dbraw/zinc/13/45/15/382134515.db2.gz ONAPOBIFMJZAKX-IWQZZHSRSA-N -2 3 299.695 2.681 20 5 CFBDHL Cc1cc(Cl)cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1[O-] ZINC000340326048 524877166 /nfs/dbraw/zinc/87/71/66/524877166.db2.gz DGQWIRMITFOGGN-UHFFFAOYSA-N -2 3 295.682 2.843 20 5 CFBDHL CCCCOC[C@@H](C)Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228970161 776672648 /nfs/dbraw/zinc/67/26/48/776672648.db2.gz GLUGRWPTKRJBKQ-SECBINFHSA-N -2 3 285.296 2.590 20 5 CFBDHL O=[N+]([O-])c1c([O-])cc([O-])cc1O[C@@H]1CCCC[C@H]1F ZINC001228975260 776674338 /nfs/dbraw/zinc/67/43/38/776674338.db2.gz YYIZPMJGCNIQQE-PSASIEDQSA-N -2 3 271.244 2.666 20 5 CFBDHL O=[N+]([O-])c1c([O-])cc([O-])cc1O[C@H]1CC2CCC1CC2 ZINC001228970175 776672779 /nfs/dbraw/zinc/67/27/79/776672779.db2.gz GPNIOVCELYKCNC-KWPJZBAWSA-N -2 3 279.292 2.964 20 5 CFBDHL C[C@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])c1cccnc1F ZINC001228973174 776674220 /nfs/dbraw/zinc/67/42/20/776674220.db2.gz HIPXGNQVAOQJPX-ZETCQYMHSA-N -2 3 294.238 2.680 20 5 CFBDHL CCCC[C@H](C)Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228970614 776672256 /nfs/dbraw/zinc/67/22/56/776672256.db2.gz JCOXNPQYZOXZRU-QMMMGPOBSA-N -2 3 255.270 2.964 20 5 CFBDHL C[C@@H]1CC[C@@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])C1 ZINC001228971944 776671813 /nfs/dbraw/zinc/67/18/13/776671813.db2.gz TUWTWIRVEFDKEM-VXNVDRBHSA-N -2 3 253.254 2.573 20 5 CFBDHL C[C@@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])c1cccnc1F ZINC001228973173 776673774 /nfs/dbraw/zinc/67/37/74/776673774.db2.gz HIPXGNQVAOQJPX-SSDOTTSWSA-N -2 3 294.238 2.680 20 5 CFBDHL C[C@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])c1ccncc1 ZINC001228968922 776670629 /nfs/dbraw/zinc/67/06/29/776670629.db2.gz UGYVXJMFSAXDMV-QMMMGPOBSA-N -2 3 276.248 2.541 20 5 CFBDHL C[C@@H]1CCCC[C@@H]1Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228969852 776672417 /nfs/dbraw/zinc/67/24/17/776672417.db2.gz DDPCZIPYTFYPHQ-KCJUWKMLSA-N -2 3 267.281 2.964 20 5 CFBDHL C[C@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])C1CCCC1 ZINC001228972617 776673698 /nfs/dbraw/zinc/67/36/98/776673698.db2.gz AOWVSULJZIBHNO-QMMMGPOBSA-N -2 3 267.281 2.964 20 5 CFBDHL Cc1cc(C(=O)[N-]c2cc(Cl)cc([N+](=O)[O-])c2[O-])on1 ZINC000180787150 380699750 /nfs/dbraw/zinc/69/97/50/380699750.db2.gz ZQLUVSJALXLSCA-UHFFFAOYSA-N -2 3 297.654 2.503 20 5 CFBDHL C[C@@H]1CCC[C@@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])C1 ZINC001228971966 776672050 /nfs/dbraw/zinc/67/20/50/776672050.db2.gz TXBXPEJNYQRDQG-PSASIEDQSA-N -2 3 267.281 2.964 20 5 CFBDHL Cc1ccc([C@@H](C)Oc2cc([O-])cc([O-])c2[N+](=O)[O-])cn1 ZINC001228971191 776672381 /nfs/dbraw/zinc/67/23/81/776672381.db2.gz LIROMAQSJDZFCN-SECBINFHSA-N -2 3 290.275 2.849 20 5 CFBDHL C[C@H]1CC[C@@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])C1 ZINC001228971943 776672448 /nfs/dbraw/zinc/67/24/48/776672448.db2.gz TUWTWIRVEFDKEM-IONNQARKSA-N -2 3 253.254 2.573 20 5 CFBDHL C[C@H](Cc1ccco1)Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228972630 776674062 /nfs/dbraw/zinc/67/40/62/776674062.db2.gz BCDAZLDZQJAQDD-MRVPVSSYSA-N -2 3 279.248 2.609 20 5 CFBDHL CC[C@H](C)[C@H](C)Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228972183 776674251 /nfs/dbraw/zinc/67/42/51/776674251.db2.gz TZVZNCCNVKSVJR-YUMQZZPRSA-N -2 3 255.270 2.819 20 5 CFBDHL CC(C)c1cc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2[O-])on1 ZINC000089531172 347520727 /nfs/dbraw/zinc/52/07/27/347520727.db2.gz KYOIHYCRLFRIDQ-UHFFFAOYSA-N -2 3 291.263 2.664 20 5 CFBDHL Cc1cccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1[O-] ZINC000618935282 352914030 /nfs/dbraw/zinc/91/40/30/352914030.db2.gz HZESNTMOYCOREG-UHFFFAOYSA-N -2 3 288.259 2.567 20 5 CFBDHL Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c([O-])c1 ZINC000194741661 393715963 /nfs/dbraw/zinc/71/59/63/393715963.db2.gz WDCVFHYZIXORNV-UHFFFAOYSA-N -2 3 288.259 2.567 20 5 CFBDHL C[C@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])c1ccccn1 ZINC001228971549 776672139 /nfs/dbraw/zinc/67/21/39/776672139.db2.gz QFRVRXRBWLJFOA-QMMMGPOBSA-N -2 3 276.248 2.541 20 5 CFBDHL CC[C@H](C)[C@@H](C)Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228972181 776674320 /nfs/dbraw/zinc/67/43/20/776674320.db2.gz TZVZNCCNVKSVJR-JGVFFNPUSA-N -2 3 255.270 2.819 20 5 CFBDHL CC1(C)[C@@H]2C[C@@H](Oc3cc([O-])cc([O-])c3[N+](=O)[O-])C[C@@H]21 ZINC001228971301 776671857 /nfs/dbraw/zinc/67/18/57/776671857.db2.gz NELCCWCUQIFZMO-OWUUHHOZSA-N -2 3 279.292 2.819 20 5 CFBDHL O=[N+]([O-])c1c([O-])cc([O-])cc1O[C@@H]1CCCC[C@@H]1F ZINC001228975266 776674188 /nfs/dbraw/zinc/67/41/88/776674188.db2.gz YYIZPMJGCNIQQE-WCBMZHEXSA-N -2 3 271.244 2.666 20 5 CFBDHL Cc1cccc([O-])c1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000357601830 382246676 /nfs/dbraw/zinc/24/66/76/382246676.db2.gz SFQZIIPGGZOHHJ-UHFFFAOYSA-N -2 3 288.259 2.567 20 5 CFBDHL Cc1ncoc1C(=O)[N-]c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000351764529 163191371 /nfs/dbraw/zinc/19/13/71/163191371.db2.gz QDBSRCJCDPIFIV-UHFFFAOYSA-N -2 3 297.654 2.503 20 5 CFBDHL C[C@@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])c1ncccc1F ZINC001228973112 776673649 /nfs/dbraw/zinc/67/36/49/776673649.db2.gz FXHXKHJYEGXYLU-SSDOTTSWSA-N -2 3 294.238 2.680 20 5 CFBDHL O=[N+]([O-])c1c([O-])cc([O-])cc1O[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC001228972325 776673674 /nfs/dbraw/zinc/67/36/74/776673674.db2.gz VLPXQYZIEJRKQZ-VAOFZXAKSA-N -2 3 265.265 2.573 20 5 CFBDHL COC(C)(C)C[C@@H](C)Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228973138 776674232 /nfs/dbraw/zinc/67/42/32/776674232.db2.gz GKBHEHBPUMTVNY-MRVPVSSYSA-N -2 3 285.296 2.588 20 5 CFBDHL Cc1ccc([O-])c(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000159316417 232243133 /nfs/dbraw/zinc/24/31/33/232243133.db2.gz LSWVGHAVQPPAFS-UHFFFAOYSA-N -2 3 288.259 2.567 20 5 CFBDHL Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c([O-])c1 ZINC000184591520 381441984 /nfs/dbraw/zinc/44/19/84/381441984.db2.gz GTOYCTBOOQJHNE-UHFFFAOYSA-N -2 3 288.259 2.567 20 5 CFBDHL Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])ccc1[O-] ZINC000227042714 393772041 /nfs/dbraw/zinc/77/20/41/393772041.db2.gz ULKKPVOJRIVQSJ-UHFFFAOYSA-N -2 3 288.259 2.567 20 5 CFBDHL