smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(/C=N/N=C2\NC(=O)[C@@H](CC(=O)[O-])S2)cc1 ZINC000005720401 181276038 /nfs/dbraw/zinc/27/60/38/181276038.db2.gz IXAFTOCVNVDRDI-FBWGLTFQSA-N -1 0 307.331 1.091 50 30 DDEARM C=CC[C@]1(CO)CCCN(C(=O)c2cc(C#N)c(=O)[n-]c2C)C1 ZINC000091381800 193048504 /nfs/dbraw/zinc/04/85/04/193048504.db2.gz FDGQYYXKSIKTNX-KRWDZBQOSA-N -1 0 315.373 1.346 50 30 DDEARM N#CCc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])nc2)cc1 ZINC000069738691 406762417 /nfs/dbraw/zinc/76/24/17/406762417.db2.gz SMVGVKSYQQMHBR-UHFFFAOYSA-N -1 0 318.314 1.857 50 30 DDEARM Cc1c(C#N)c(=O)[n-]cc1C(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000077321555 406984640 /nfs/dbraw/zinc/98/46/40/406984640.db2.gz DYJHDUASUUYKQP-LLVKDONJSA-N -1 0 311.345 1.710 50 30 DDEARM C=CCOc1ccc(C(=O)N[C@@H](C)c2nnn[n-]2)cc1OCC ZINC000055369763 407201793 /nfs/dbraw/zinc/20/17/93/407201793.db2.gz RBVWDWMRWAMURJ-JTQLQIEISA-N -1 0 317.349 1.654 50 30 DDEARM Cc1[nH]nc([N-]S(=O)(=O)c2cccc3cnccc32)c1C#N ZINC000096502829 407273591 /nfs/dbraw/zinc/27/35/91/407273591.db2.gz JEMPTOBBUVVRHX-UHFFFAOYSA-N -1 0 313.342 1.939 50 30 DDEARM CCOC(=O)N(C)CCc1cc2c(c(OC)c1/C=N/[O-])OCO2 ZINC000100758658 407308441 /nfs/dbraw/zinc/30/84/41/407308441.db2.gz MJACCDVQTDIQFY-LZYBPNLTSA-N -1 0 324.333 1.863 50 30 DDEARM CS(=O)(=O)[N-]C(=O)COc1cccc(NC(=O)C2CC2)c1 ZINC000048487117 418472287 /nfs/dbraw/zinc/47/22/87/418472287.db2.gz FIPAAJDVUDPCKX-UHFFFAOYSA-N -1 0 312.347 1.330 50 30 DDEARM C#CCCC1(CCC(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)N=N1 ZINC000952876152 775623266 /nfs/dbraw/zinc/62/32/66/775623266.db2.gz COKPRVQFRXTBEW-DGCLKSJQSA-N -1 0 307.350 1.338 50 30 DDEARM C[C@@H](Oc1ccccc1C#N)C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000072280273 191100874 /nfs/dbraw/zinc/10/08/74/191100874.db2.gz BYVCHBJBNKBQON-DGCLKSJQSA-N -1 0 302.330 1.791 50 30 DDEARM O=C([O-])CCCCCNC=C1C(=O)Oc2ccccc2C1=O ZINC000019878129 182159833 /nfs/dbraw/zinc/15/98/33/182159833.db2.gz OLSQMNPFQKHWQF-BENRWUELSA-N -1 0 303.314 1.907 50 30 DDEARM O=C([N-]S(=O)(=O)c1cccc(Cl)c1)[C@@H]1COCCO1 ZINC000048496377 221455952 /nfs/dbraw/zinc/45/59/52/221455952.db2.gz ABZJCGVOXHOZTB-JTQLQIEISA-N -1 0 305.739 1.401 50 30 DDEARM CC(=O)C1=C(O)C(=O)N(CCC(=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000000210182 406631215 /nfs/dbraw/zinc/63/12/15/406631215.db2.gz YGZFRFFCIKGRID-CYBMUJFWSA-N -1 0 307.277 1.585 50 30 DDEARM CCOC([O-])=NC(=O)C(=NNc1cc(C)cc(C)c1)C(C)=O ZINC000013140605 406860065 /nfs/dbraw/zinc/86/00/65/406860065.db2.gz PQPXGLVKMAOAPR-QGOAFFKASA-N -1 0 305.334 1.933 50 30 DDEARM Cc1nc(=O)[n-]c(SCC(=O)NC2CCC(C)CC2)c1C#N ZINC000032776389 406953528 /nfs/dbraw/zinc/95/35/28/406953528.db2.gz MMMRQHXVCVDZCE-UHFFFAOYSA-N -1 0 320.418 1.737 50 30 DDEARM N#CC1(C(=O)Nc2ccc(CCC(=O)[O-])cc2)CCOCC1 ZINC000124785647 407370169 /nfs/dbraw/zinc/37/01/69/407370169.db2.gz AAVHAHDUJAZEOP-UHFFFAOYSA-N -1 0 302.330 1.963 50 30 DDEARM CCC[C@@H](C#N)NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000102952434 418495673 /nfs/dbraw/zinc/49/56/73/418495673.db2.gz JGYDZAKXHVRXDU-JTQLQIEISA-N -1 0 316.386 1.644 50 30 DDEARM O=C([O-])Cn1cc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2F)nn1 ZINC000752873486 700392963 /nfs/dbraw/zinc/39/29/63/700392963.db2.gz GDHHIDFRGPVXJY-RJRFIUFISA-N -1 0 320.236 1.306 50 30 DDEARM C#CCCC1(CCC(=O)N[C@@](C)(Cn2cccn2)C(=O)[O-])N=N1 ZINC000952876522 775624627 /nfs/dbraw/zinc/62/46/27/775624627.db2.gz UYFSYCVSEIFLKJ-AWEZNQCLSA-N -1 0 317.349 1.198 50 30 DDEARM CN(C)c1cccc(C(=O)[N-]S(=O)(=O)c2cnccn2)c1 ZINC000330032681 529786453 /nfs/dbraw/zinc/78/64/53/529786453.db2.gz QOZNUONKJXBSRN-UHFFFAOYSA-N -1 0 306.347 1.236 50 30 DDEARM CC(=O)C1=C(O)C(=O)N(CCCC(=O)[O-])[C@@H]1c1ccccc1F ZINC000020065468 182184115 /nfs/dbraw/zinc/18/41/15/182184115.db2.gz AZPIWEOWYVXJLM-CQSZACIVSA-N -1 0 321.304 1.975 50 30 DDEARM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)c2ccc(C)[nH]c2=O)c1 ZINC000062674219 184247002 /nfs/dbraw/zinc/24/70/02/184247002.db2.gz ITGHHBHVFHMBQE-UHFFFAOYSA-N -1 0 320.370 1.994 50 30 DDEARM C=CCN1C(=O)[N-]C(=O)C(=C(C)NN2CCCCCC2)C1=O ZINC000017249152 257262326 /nfs/dbraw/zinc/26/23/26/257262326.db2.gz UCOOZBBFZNVGSB-VAWYXSNFSA-N -1 0 306.366 1.746 50 30 DDEARM CCOc1ccc(/C=N/Nc2nc(=O)c(C)n[n-]2)cc1OCC ZINC000008926986 406797752 /nfs/dbraw/zinc/79/77/52/406797752.db2.gz MWRSKOHAQFBPAM-CXUHLZMHSA-N -1 0 317.349 1.717 50 30 DDEARM CCOC([O-])=NC(=O)C(=NNc1ccc(F)cc1F)C(C)=O ZINC000013395185 406861723 /nfs/dbraw/zinc/86/17/23/406861723.db2.gz GSLVVRBEBZFAOE-WQRHYEAKSA-N -1 0 313.260 1.594 50 30 DDEARM C=CCN1CCN([C@@H](C(=O)[O-])c2cc(F)ccc2OC)CC1 ZINC000055053772 407194034 /nfs/dbraw/zinc/19/40/34/407194034.db2.gz VUELKFUBZMVOJK-OAHLLOKOSA-N -1 0 308.353 1.764 50 30 DDEARM N#C[C@H]1CN(C(=O)c2ccc([O-])c(Cl)c2)CCN1C1CC1 ZINC000095958505 407217080 /nfs/dbraw/zinc/21/70/80/407217080.db2.gz MBDWJGWKZNVUMS-LBPRGKRZSA-N -1 0 305.765 1.858 50 30 DDEARM CNC(=O)C(C#N)=C([O-])c1cccc(-c2noc(C3CC3)n2)c1 ZINC000102708184 407326197 /nfs/dbraw/zinc/32/61/97/407326197.db2.gz FAKWKAHZBIVHHO-GFCCVEGCSA-N -1 0 310.313 1.682 50 30 DDEARM CCCCCCCCCC(=O)N[C@H](CCC(N)=O)C(=O)[O-] ZINC000100652190 407308166 /nfs/dbraw/zinc/30/81/66/407308166.db2.gz MZUBOXLGCNTCGH-GFCCVEGCSA-N -1 0 300.399 1.962 50 30 DDEARM Cc1ccoc1C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000170605081 407451235 /nfs/dbraw/zinc/45/12/35/407451235.db2.gz RGHGHGBDHAXHLH-UHFFFAOYSA-N -1 0 304.327 1.887 50 30 DDEARM COc1ccc(S(=O)(=O)[N-]C(=O)c2cc(C3CC3)n[nH]2)cc1 ZINC000048584760 418473101 /nfs/dbraw/zinc/47/31/01/418473101.db2.gz ANAKKPWFCFSXPT-UHFFFAOYSA-N -1 0 321.358 1.989 50 30 DDEARM N#CC1(C(=O)NCc2cccc(OCC(=O)[O-])c2)CCOCC1 ZINC000262731984 222291545 /nfs/dbraw/zinc/29/15/45/222291545.db2.gz IENJGSYWGSKNPR-UHFFFAOYSA-N -1 0 318.329 1.087 50 30 DDEARM C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000408513484 418805977 /nfs/dbraw/zinc/80/59/77/418805977.db2.gz CRGYNWRQUVNDBR-SMDDNHRTSA-N -1 0 318.329 1.028 50 30 DDEARM C#CCCCC(=O)NC[C@H](Cc1ccc(O)c(F)c1)C(=O)OC ZINC000408521837 418807914 /nfs/dbraw/zinc/80/79/14/418807914.db2.gz PKFQOIYYWGAIAX-ZDUSSCGKSA-N -1 0 321.348 1.783 50 30 DDEARM N#Cc1ccc(C(=O)[N-]S(=O)(=O)/C=C\c2ccccc2)cn1 ZINC000606443908 422459096 /nfs/dbraw/zinc/45/90/96/422459096.db2.gz UTMUMUIREGJAKQ-HJWRWDBZSA-N -1 0 313.338 1.684 50 30 DDEARM C#CCn1cc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])cn1 ZINC000097097760 353917396 /nfs/dbraw/zinc/91/73/96/353917396.db2.gz SIEKSGRJACYQDZ-UHFFFAOYSA-N -1 0 314.301 1.402 50 30 DDEARM C#CCOc1cccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000003905020 181055032 /nfs/dbraw/zinc/05/50/32/181055032.db2.gz HTRUZCKJPCGHQN-VOTSOKGWSA-N -1 0 313.269 1.566 50 30 DDEARM CCc1nc(SCC(=O)NCc2ccco2)[n-]c(=O)c1C#N ZINC000005238919 181220713 /nfs/dbraw/zinc/22/07/13/181220713.db2.gz DWHDWEZDLYMQTD-UHFFFAOYSA-N -1 0 318.358 1.205 50 30 DDEARM C=CC[C@@]1(C(=O)[O-])CCCN(c2cc(NCCO)ncn2)C1 ZINC000091382185 193049161 /nfs/dbraw/zinc/04/91/61/193049161.db2.gz PGJAIXFTZQRWJS-OAHLLOKOSA-N -1 0 306.366 1.128 50 30 DDEARM CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2cccnc2)n1 ZINC000156036178 197082777 /nfs/dbraw/zinc/08/27/77/197082777.db2.gz RJTTYRDVQSOYPV-UHFFFAOYSA-N -1 0 305.363 1.706 50 30 DDEARM COC(=O)c1ccc(/N=C2\S[C@@H](C(=O)[O-])CC(=O)N2C)cc1 ZINC000012417094 292006561 /nfs/dbraw/zinc/00/65/61/292006561.db2.gz DNWGAQNZOYSHQO-ZEIZSXSISA-N -1 0 322.342 1.509 50 30 DDEARM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000048418211 407097574 /nfs/dbraw/zinc/09/75/74/407097574.db2.gz HNFOHOYHNNUSHJ-UHFFFAOYSA-N -1 0 320.754 1.683 50 30 DDEARM N#Cc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC000126059072 407404283 /nfs/dbraw/zinc/40/42/83/407404283.db2.gz UFWZTUHBKIPBKX-VIFPVBQESA-N -1 0 314.750 1.307 50 30 DDEARM CNC(=O)C(C#N)=C([O-])c1cn(-c2ccc(Cl)cc2)nc1C ZINC000101372532 418494195 /nfs/dbraw/zinc/49/41/95/418494195.db2.gz WSKNGZBGHCEIKO-GFCCVEGCSA-N -1 0 316.748 1.903 50 30 DDEARM N#Cc1cn(CCc2cnn(-c3ccccc3)c2)c(=O)[n-]c1=O ZINC000048325427 418469625 /nfs/dbraw/zinc/46/96/25/418469625.db2.gz HNRFVXNRICAJCI-UHFFFAOYSA-N -1 0 307.313 1.249 50 30 DDEARM CN1N=C(C(=O)[N-]S(=O)(=O)CCC(C)(C)C)CCC1=O ZINC000079036966 185147950 /nfs/dbraw/zinc/14/79/50/185147950.db2.gz FYSMOEWXPPCFJX-UHFFFAOYSA-N -1 0 303.384 1.317 50 30 DDEARM N#CCCCS(=O)(=O)[N-]C(=O)c1noc2c1CCCCC2 ZINC000159638439 354234994 /nfs/dbraw/zinc/23/49/94/354234994.db2.gz FCWKFJMSQHZYBS-UHFFFAOYSA-N -1 0 311.363 1.307 50 30 DDEARM C/N=C1/S[C@@H](C(=O)Nc2cccc(C(=O)[O-])c2)CC(=O)N1C ZINC000018021156 182089822 /nfs/dbraw/zinc/08/98/22/182089822.db2.gz VKSLNIKNVAIGTN-KDGRRTAISA-N -1 0 321.358 1.273 50 30 DDEARM CC(=O)C1=C(O)C(=O)N(CCC(=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000000210178 406631020 /nfs/dbraw/zinc/63/10/20/406631020.db2.gz YGZFRFFCIKGRID-ZDUSSCGKSA-N -1 0 307.277 1.585 50 30 DDEARM CCC(CC)CS(=O)(=O)[N-]C(=O)c1ccc(C#N)c(C)n1 ZINC000072281565 406878520 /nfs/dbraw/zinc/87/85/20/406878520.db2.gz DPJDMWWUAOJXHC-UHFFFAOYSA-N -1 0 309.391 1.758 50 30 DDEARM CS(=O)(=O)[N-]c1c(C#N)cnn1-c1ccc2ccccc2n1 ZINC000012239263 406841229 /nfs/dbraw/zinc/84/12/29/406841229.db2.gz WEQQFIPXDQHFLC-UHFFFAOYSA-N -1 0 313.342 1.664 50 30 DDEARM COc1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc(OC)c1 ZINC000028911400 406919239 /nfs/dbraw/zinc/91/92/39/406919239.db2.gz IFNMSQASYDHTHS-APHBUQMISA-N -1 0 316.309 1.932 50 30 DDEARM Cc1ccc(C([O-])=C(C#N)C(=O)CCN2C(=O)CCC2=O)s1 ZINC000102763768 407326765 /nfs/dbraw/zinc/32/67/65/407326765.db2.gz YGOPOXVJFQKENS-SNVBAGLBSA-N -1 0 318.354 1.487 50 30 DDEARM CC(C)[C@@](C)(O)CNS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000195556099 407468565 /nfs/dbraw/zinc/46/85/65/407468565.db2.gz CQSTVFCUVCDMAI-ZDUSSCGKSA-N -1 0 316.810 1.897 50 30 DDEARM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)NCc2ccc(C#N)c(F)c2)C1 ZINC000263373702 163958509 /nfs/dbraw/zinc/95/85/09/163958509.db2.gz WDVWFVFUKKCCDK-GWCFXTLKSA-N -1 0 319.336 1.950 50 30 DDEARM COC(=O)c1sccc1S(=O)(=O)[N-]C(=O)COC(C)C ZINC000049135133 418476231 /nfs/dbraw/zinc/47/62/31/418476231.db2.gz VBMIGJHPQROHLU-UHFFFAOYSA-N -1 0 321.376 1.605 50 30 DDEARM CNC(=O)C(C#N)=C([O-])c1ccc(Cn2cc(Cl)cn2)o1 ZINC000101112079 418493947 /nfs/dbraw/zinc/49/39/47/418493947.db2.gz VKHZHJSETDGNAY-SNVBAGLBSA-N -1 0 306.709 1.246 50 30 DDEARM C[C@@H](CC#N)OC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000113691492 418501083 /nfs/dbraw/zinc/50/10/83/418501083.db2.gz XUDIGQGQKWSDDJ-QMMMGPOBSA-N -1 0 303.343 1.681 50 30 DDEARM N#Cc1cn(-c2ccc(Oc3cnccn3)cc2)c(=O)[n-]c1=O ZINC000048279919 418468142 /nfs/dbraw/zinc/46/81/42/418468142.db2.gz RJFCCCPPCTUSML-UHFFFAOYSA-N -1 0 307.269 1.392 50 30 DDEARM C=CCNc1ccc(C(=O)N2CCN(CCC(=O)[O-])CC2)cc1 ZINC000426493089 419487340 /nfs/dbraw/zinc/48/73/40/419487340.db2.gz VPPOFJRYCRFNIT-UHFFFAOYSA-N -1 0 317.389 1.517 50 30 DDEARM CC(=O)C1=C(O)C(=O)N(CCC(=O)[O-])[C@H]1c1ccc(C)cc1 ZINC000019208984 277932946 /nfs/dbraw/zinc/93/29/46/277932946.db2.gz HWGIDDIKIVEGIS-AWEZNQCLSA-N -1 0 303.314 1.754 50 30 DDEARM CCn1ncc(C#N)c1[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000195573266 325715017 /nfs/dbraw/zinc/71/50/17/325715017.db2.gz MTMVJMJJYZWBEH-UHFFFAOYSA-N -1 0 322.394 1.428 50 30 DDEARM COc1cc(C=NNc2nc(C)cc(=O)[nH]2)cc([N+](=O)[O-])c1[O-] ZINC000032654957 521997174 /nfs/dbraw/zinc/99/71/74/521997174.db2.gz JBHSXGPAMOENTD-MKMNVTDBSA-N -1 0 319.277 1.147 50 30 DDEARM N#Cc1cc2c([n-]c1=O)CCN(C(=O)CSC1CCCC1)C2 ZINC000225682930 186288517 /nfs/dbraw/zinc/28/85/17/186288517.db2.gz RZYUSFBOZIPFOH-UHFFFAOYSA-N -1 0 317.414 1.807 50 30 DDEARM N#Cc1ccccc1NC(=O)[C@@H](CC(=O)[O-])NCc1ccco1 ZINC000000522984 406653869 /nfs/dbraw/zinc/65/38/69/406653869.db2.gz LITXADBGBNACOM-CQSZACIVSA-N -1 0 313.313 1.723 50 30 DDEARM COC(=O)[C@@H]1C([O-])=C(C(=O)C=Cc2ccco2)C(=O)CC1(C)C ZINC000100150828 407307287 /nfs/dbraw/zinc/30/72/87/407307287.db2.gz OZNNWTQYFYFKJQ-AGKLADILSA-N -1 0 318.325 1.835 50 30 DDEARM C#CCNC(=O)c1c(C)[n-]n(-c2cccc(C(F)(F)F)c2)c1=O ZINC000128560379 407547912 /nfs/dbraw/zinc/54/79/12/407547912.db2.gz FJEXNVWPTUVMRX-LBPRGKRZSA-N -1 0 323.274 1.794 50 30 DDEARM N#Cc1[n-]c2ncc(NC(=O)c3ccccc3)c(=O)n2c1C#N ZINC000009458425 303173898 /nfs/dbraw/zinc/17/38/98/303173898.db2.gz FRORPGZLXMAWIC-UHFFFAOYSA-N -1 0 304.269 1.018 50 30 DDEARM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)cn2)ccc1[N+](=O)[O-] ZINC000174002392 337383612 /nfs/dbraw/zinc/38/36/12/337383612.db2.gz CHVDKFGMOPYPHJ-UHFFFAOYSA-N -1 0 318.314 1.971 50 30 DDEARM Cc1ccc(S(=O)([O-])=NC(=O)NN2C[C@@H]3CCC[C@H]3C2)cc1 ZINC000000523926 525483900 /nfs/dbraw/zinc/48/39/00/525483900.db2.gz BOVGTQGAOIONJV-STQMWFEESA-N -1 0 323.418 1.834 50 30 world DDEARM C#CCCC1(CCC(=O)N[C@@H](C(=O)[O-])c2ccn(C)n2)N=N1 ZINC000952876284 775623102 /nfs/dbraw/zinc/62/31/02/775623102.db2.gz KNNFCVXDNWMFDH-GFCCVEGCSA-N -1 0 303.322 1.018 50 30 DDEARM C#CCCC1(CCC(=O)N[C@H](C(=O)[O-])C2CCOCC2)N=N1 ZINC000952876201 775623371 /nfs/dbraw/zinc/62/33/71/775623371.db2.gz FRJDKDVLVXYHOO-ZDUSSCGKSA-N -1 0 307.350 1.338 50 30 DDEARM Cc1cc(/C=N/NC(N)=S)c(C)n1-c1ccccc1C(=O)[O-] ZINC000004678248 181135436 /nfs/dbraw/zinc/13/54/36/181135436.db2.gz CFYKLJDWNMWEKH-CAOOACKPSA-N -1 0 316.386 1.959 50 30 DDEARM COC(=O)[C@H](C)Sc1nc(-c2ccccc2)c(C#N)c(=O)[n-]1 ZINC000005238261 181220671 /nfs/dbraw/zinc/22/06/71/181220671.db2.gz VJXCAKHBMDQMKB-VIFPVBQESA-N -1 0 315.354 1.962 50 30 DDEARM Cc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(F)c2C#N)o1 ZINC000159988741 197378621 /nfs/dbraw/zinc/37/86/21/197378621.db2.gz VIMGJGDBOLUYEF-UHFFFAOYSA-N -1 0 308.290 1.718 50 30 DDEARM Cn1c(C(=O)[N-]S(=O)(=O)N2CCCC2)cc2ccccc21 ZINC000052771200 183871453 /nfs/dbraw/zinc/87/14/53/183871453.db2.gz SAMSWUKXLGUEDA-UHFFFAOYSA-N -1 0 307.375 1.824 50 30 DDEARM C=CCOC(=O)c1sc(NC(=O)c2csnn2)nc1C ZINC000009250916 257263589 /nfs/dbraw/zinc/26/35/89/257263589.db2.gz WDQJUBKNSXGCBG-UHFFFAOYSA-N -1 0 310.360 1.898 50 30 DDEARM Cc1ccc(S(=O)([O-])=NC(=O)NN2CCCCCC2)cc1 ZINC000000057512 406617544 /nfs/dbraw/zinc/61/75/44/406617544.db2.gz OUDSBRTVNLOZBN-UHFFFAOYSA-N -1 0 311.407 1.978 50 30 fda DDEARM C=CCN1C(=O)[N-]C(=O)/C(=C/c2ccc(O)c(OCC)c2)C1=O ZINC000000494316 406653761 /nfs/dbraw/zinc/65/37/61/406653761.db2.gz SSEORFZTLLHNDN-FLIBITNWSA-N -1 0 316.313 1.439 50 30 DDEARM N#Cc1cn(Cc2ccnc(OC3CCCC3)c2)c(=O)[n-]c1=O ZINC000069161903 406685618 /nfs/dbraw/zinc/68/56/18/406685618.db2.gz SDCHKYFVICCYGQ-UHFFFAOYSA-N -1 0 312.329 1.585 50 30 DDEARM COCCN1C(=O)CC[C@H](C(=O)[O-])[C@H]1c1cccc(C#N)c1 ZINC000069593024 406739245 /nfs/dbraw/zinc/73/92/45/406739245.db2.gz OTOHXZJLGSSDQA-DZGCQCFKSA-N -1 0 302.330 1.569 50 30 DDEARM C/C(=N\NS(=O)(=O)c1ccccc1)c1c([O-])cc(C)oc1=O ZINC000101160202 407309198 /nfs/dbraw/zinc/30/91/98/407309198.db2.gz YJQXWEFAFXLFGT-XNTDXEJSSA-N -1 0 322.342 1.356 50 30 DDEARM CC(=NNS(=O)(=O)c1ccccc1)c1c([O-])cc(C)oc1=O ZINC000252639337 408806834 /nfs/dbraw/zinc/80/68/34/408806834.db2.gz YJQXWEFAFXLFGT-UHFFFAOYSA-N -1 0 322.342 1.356 50 30 DDEARM CC(C)(C)[C@H](C#N)NC(=O)CSc1n[n-]c(=S)s1 ZINC000085437234 484003907 /nfs/dbraw/zinc/00/39/07/484003907.db2.gz CQNNDASTXCRTFX-LURJTMIESA-N -1 0 302.450 1.973 50 30 DDEARM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1ccn(C)c(=O)c1 ZINC000079029196 521019395 /nfs/dbraw/zinc/01/93/95/521019395.db2.gz ZJLNYYFRBRSKHK-JTQLQIEISA-N -1 0 300.380 1.456 50 30 DDEARM COc1cccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CC(=O)[O-])c1 ZINC000000034955 180673140 /nfs/dbraw/zinc/67/31/40/180673140.db2.gz CDSRCLKNDCXPDM-ZDUSSCGKSA-N -1 0 305.286 1.064 50 30 DDEARM C=CCN1C[C@@]2(C(=O)[O-])CN(C(=O)C3CCCCC3)C[C@H]2C1=O ZINC000072409721 191154760 /nfs/dbraw/zinc/15/47/60/191154760.db2.gz VOPOVMOVIRHGDW-SUMWQHHRSA-N -1 0 320.389 1.124 50 30 DDEARM C#CCN1C(=O)S/C(=C\c2ccccc2OCC(=O)[O-])C1=O ZINC000002817361 180961276 /nfs/dbraw/zinc/96/12/76/180961276.db2.gz LUCFAAPQHSXVLI-WQLSENKSSA-N -1 0 317.322 1.820 50 30 DDEARM COCCC1(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)CCC1 ZINC000161100019 354241662 /nfs/dbraw/zinc/24/16/62/354241662.db2.gz FEORKWIWIAODPT-UHFFFAOYSA-N -1 0 322.386 1.570 50 30 DDEARM O=[N+]([O-])c1ccc(C=NNc2ccc(S(=O)(=O)[O-])cc2)o1 ZINC000004866023 181165115 /nfs/dbraw/zinc/16/51/15/181165115.db2.gz AIGSETDVXLDSNU-KPKJPENVSA-N -1 0 311.275 1.881 50 30 DDEARM COc1cc(C#N)ccc1OCC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000013445610 181850757 /nfs/dbraw/zinc/85/07/57/181850757.db2.gz VSHRSBCJURTGNX-LBPRGKRZSA-N -1 0 318.329 1.269 50 30 DDEARM N#Cc1c(=O)[n-]c(SCC(N)=O)nc1-c1ccc(Cl)cc1 ZINC000015859799 182021938 /nfs/dbraw/zinc/02/19/38/182021938.db2.gz MFZMJLITGMCMSX-UHFFFAOYSA-N -1 0 320.761 1.952 50 30 DDEARM CCOC(=O)C1=C(C)NC(=Cc2ccc(C(=O)[O-])cc2)C1=O ZINC000019809270 182152844 /nfs/dbraw/zinc/15/28/44/182152844.db2.gz KJJNUHQGDBEHIK-XYOKQWHBSA-N -1 0 301.298 1.735 50 30 DDEARM O=C([O-])c1ccc([C@@H]2C3C(=O)CCCC3=Nc3ncnn32)cc1 ZINC000018195696 304250533 /nfs/dbraw/zinc/25/05/33/304250533.db2.gz HOIXIQWANOTLLD-CQSZACIVSA-N -1 0 310.313 1.998 50 30 DDEARM O=[N+]([O-])c1ccc([O-])c(/C=N/NS(=O)(=O)c2ccccc2)c1 ZINC000002903573 406704061 /nfs/dbraw/zinc/70/40/61/406704061.db2.gz GAVLWAVBXANOLX-NTEUORMPSA-N -1 0 321.314 1.613 50 30 DDEARM Cc1[n-]n(CN2CCCCC2)c(=O)c1N=Nc1cccc(O)c1 ZINC000013408168 406861286 /nfs/dbraw/zinc/86/12/86/406861286.db2.gz BXBIXGYDLLECLL-SDXDJHTJSA-N -1 0 315.377 1.822 50 30 DDEARM C=CCNC(=O)CCc1nnc(-c2cccc(OC)c2)[n-]c1=O ZINC000034764617 406965498 /nfs/dbraw/zinc/96/54/98/406965498.db2.gz SFBRIXIKAPGIRJ-UHFFFAOYSA-N -1 0 314.345 1.488 50 30 DDEARM COc1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc(OC)c1 ZINC000028911403 406919602 /nfs/dbraw/zinc/91/96/02/406919602.db2.gz IFNMSQASYDHTHS-DWTRPJMMSA-N -1 0 316.309 1.932 50 30 DDEARM N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1 ZINC000096013365 407224719 /nfs/dbraw/zinc/22/47/19/407224719.db2.gz PCNGBUVTNNTUSL-CHWSQXEVSA-N -1 0 322.361 1.679 50 30 DDEARM Cc1[n-]n(C(N)=S)c(=O)c1[C@@H](c1ccccc1)C(C#N)C#N ZINC000100006156 407307156 /nfs/dbraw/zinc/30/71/56/407307156.db2.gz QGDSBAZTFOEGPW-STQMWFEESA-N -1 0 311.370 1.511 50 30 DDEARM O=C([N-]S(=O)(=O)c1cccc(Cl)c1)[C@H]1COCCO1 ZINC000048496380 418472423 /nfs/dbraw/zinc/47/24/23/418472423.db2.gz ABZJCGVOXHOZTB-SNVBAGLBSA-N -1 0 305.739 1.401 50 30 DDEARM N#CC1(C(=O)NCc2cccc(OCC(=O)[O-])c2)CCCC1 ZINC000237968344 222208956 /nfs/dbraw/zinc/20/89/56/222208956.db2.gz QOAGUMAPHKPIOJ-UHFFFAOYSA-N -1 0 302.330 1.850 50 30 DDEARM C=C(C)COc1ccc([C@@]2(C)NC(=O)N(CC(=O)[O-])C2=O)cc1 ZINC000057842309 184056320 /nfs/dbraw/zinc/05/63/20/184056320.db2.gz GMGYGHBIRWERJZ-MRXNPFEDSA-N -1 0 318.329 1.493 50 30 DDEARM Cc1ccc(C([O-])=C(C#N)C(=O)CCN2C(=O)CCC2=O)s1 ZINC000102763766 221492285 /nfs/dbraw/zinc/49/22/85/221492285.db2.gz YGOPOXVJFQKENS-JTQLQIEISA-N -1 0 318.354 1.487 50 30 DDEARM COC[C@@H](C)n1cc(C(=O)c2ccccc2[O-])cc(C#N)c1=O ZINC000014139415 406871039 /nfs/dbraw/zinc/87/10/39/406871039.db2.gz KFFSBNXMMOSBST-LLVKDONJSA-N -1 0 312.325 1.864 50 30 DDEARM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)CCC(=O)c1ccccc1 ZINC000095987722 407220944 /nfs/dbraw/zinc/22/09/44/407220944.db2.gz UYCDQMBEVMFVLN-UHFFFAOYSA-N -1 0 322.386 1.645 50 30 DDEARM N#Cc1cc(Br)ccc1NCCCc1n[nH]c(=O)[n-]1 ZINC000096008490 407223464 /nfs/dbraw/zinc/22/34/64/407223464.db2.gz URTUSOZEGPJTND-UHFFFAOYSA-N -1 0 322.166 1.777 50 30 DDEARM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)CC[C@H]1CCCO1 ZINC000048491579 418472181 /nfs/dbraw/zinc/47/21/81/418472181.db2.gz QUAKUMKXPSKADV-SNVBAGLBSA-N -1 0 302.352 1.896 50 30 DDEARM COc1cc(CCC(=O)[N-]S(C)(=O)=O)cc(OC)c1OC ZINC000048478823 418472311 /nfs/dbraw/zinc/47/23/11/418472311.db2.gz BMNIRBPUNOLRPY-UHFFFAOYSA-N -1 0 317.363 1.561 50 30 DDEARM COc1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc(OC)c1 ZINC000102970753 418495426 /nfs/dbraw/zinc/49/54/26/418495426.db2.gz IFNMSQASYDHTHS-YIEVGGLXSA-N -1 0 316.309 1.932 50 30 DDEARM CCCCNC(=O)N=S(=O)([O-])c1ccccc1[N+](=O)[O-] ZINC000040116213 520554317 /nfs/dbraw/zinc/55/43/17/520554317.db2.gz HKDBSWSTHGVUKU-UHFFFAOYSA-N -1 0 301.324 1.587 50 30 DDEARM C#CCCC1(CCC(=O)N2CC3(CCOCC3)[C@H]2C(=O)[O-])N=N1 ZINC000952881462 775636595 /nfs/dbraw/zinc/63/65/95/775636595.db2.gz OJKARXVCLGQMNN-CYBMUJFWSA-N -1 0 319.361 1.434 50 30 DDEARM Cc1[n-]c(=O)c(C#N)cc1C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC000071765173 191028122 /nfs/dbraw/zinc/02/81/22/191028122.db2.gz YJLFWWBWVHMJTH-SNVBAGLBSA-N -1 0 315.251 1.371 50 30 DDEARM CC[S+](CC)c1c([O-])n(-c2ccccc2F)c(=O)[n-]c1=O ZINC000004820217 181156813 /nfs/dbraw/zinc/15/68/13/181156813.db2.gz KEVLLLZWGYJLEU-UHFFFAOYSA-O -1 0 311.358 1.388 50 30 DDEARM COc1cc([C@@H]2NC(=O)NC(C)=C2C(C)=O)cc([N+](=O)[O-])c1[O-] ZINC000020327644 182208380 /nfs/dbraw/zinc/20/83/80/182208380.db2.gz JYPRQAVPZHQYGO-LBPRGKRZSA-N -1 0 321.289 1.526 50 30 DDEARM COCCN1C(=O)CC[C@H](C(=O)[O-])[C@H]1c1ccc(C#N)cc1 ZINC000069567546 406734297 /nfs/dbraw/zinc/73/42/97/406734297.db2.gz TVCBKGQESUOXMJ-DZGCQCFKSA-N -1 0 302.330 1.569 50 30 DDEARM C#CCOc1ccc(Cl)cc1C=C1C(=O)[N-]C(=O)NC1=O ZINC000002969804 406707506 /nfs/dbraw/zinc/70/75/06/406707506.db2.gz PKPYWLKKVCJXHF-UHFFFAOYSA-N -1 0 304.689 1.101 50 30 DDEARM C=CCOC(=O)NC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000066325951 407248266 /nfs/dbraw/zinc/24/82/66/407248266.db2.gz QVBKKBXBABTQKZ-LBPRGKRZSA-N -1 0 322.317 1.278 50 30 DDEARM Cc1cc(=O)oc2c(C=NN3C(=S)N=NC3C)c([O-])ccc12 ZINC000150301665 408192976 /nfs/dbraw/zinc/19/29/76/408192976.db2.gz BORSRTLDXBMBNZ-GIDUJCDVSA-N -1 0 316.342 1.878 50 30 DDEARM N#Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cn2)cc1 ZINC000112158903 418501625 /nfs/dbraw/zinc/50/16/25/418501625.db2.gz KCCZENKPKBQRTH-UHFFFAOYSA-N -1 0 321.745 1.725 50 30 DDEARM O=C1[N-]C(=S)NC(=O)C1=NNc1ccc(OC(F)F)cc1 ZINC000006017154 181306156 /nfs/dbraw/zinc/30/61/56/181306156.db2.gz VEFIQUJWXJQDNO-UHFFFAOYSA-N -1 0 314.273 1.427 50 30 DDEARM O=C([O-])c1ccccc1NN=C1C(=O)NN=C1C(F)(F)F ZINC000100355117 304269618 /nfs/dbraw/zinc/26/96/18/304269618.db2.gz KPGOQMVAQWQYFU-UHFFFAOYSA-N -1 0 300.196 1.201 50 30 DDEARM COC(=O)c1cncc([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000089404397 407133306 /nfs/dbraw/zinc/13/33/06/407133306.db2.gz AUCDSCVKZDXKHI-UHFFFAOYSA-N -1 0 317.326 1.541 50 30 DDEARM O=C(NCC#Cc1ccccn1)c1n[n-]c2ccccc2c1=O ZINC000089866502 407154513 /nfs/dbraw/zinc/15/45/13/407154513.db2.gz DNHWKYUWRZUAIP-UHFFFAOYSA-N -1 0 304.309 1.100 50 30 DDEARM N#Cc1cccnc1N1CCC[C@@H](Cn2cc(C(=O)[O-])nn2)C1 ZINC000067743561 407282748 /nfs/dbraw/zinc/28/27/48/407282748.db2.gz ZEPFASFHNVNGFT-LLVKDONJSA-N -1 0 312.333 1.160 50 30 DDEARM COCc1ccc(C(=O)[N-]S(=O)(=O)c2c(C)noc2C)o1 ZINC000097465379 407298623 /nfs/dbraw/zinc/29/86/23/407298623.db2.gz JBNASIBEMAKLPO-UHFFFAOYSA-N -1 0 314.319 1.724 50 30 DDEARM CCc1nc(C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)co1 ZINC000122524420 407303704 /nfs/dbraw/zinc/30/37/04/407303704.db2.gz ADFGSCZPNFGCHY-UHFFFAOYSA-N -1 0 319.342 1.368 50 30 DDEARM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]C(=O)C2CCC2)c1 ZINC000048621013 418473778 /nfs/dbraw/zinc/47/37/78/418473778.db2.gz PASZOFTWAIEXPZ-UHFFFAOYSA-N -1 0 317.388 1.535 50 30 DDEARM C=CC[C@@]1(C(=O)[O-])CCCN(C(=O)CCCn2cccn2)C1 ZINC000091547279 519109594 /nfs/dbraw/zinc/10/95/94/519109594.db2.gz XHTVGIHWXVEJLX-MRXNPFEDSA-N -1 0 305.378 1.933 50 30 DDEARM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)cc(OC)c1O ZINC000015723114 696059310 /nfs/dbraw/zinc/05/93/10/696059310.db2.gz VWMGWNBHJCESDR-XFFZJAGNSA-N -1 0 316.313 1.221 50 30 DDEARM C#CCCC1(CCC(=O)N(CC(=O)[O-])Cc2cnn(C)c2)N=N1 ZINC000952876306 775623203 /nfs/dbraw/zinc/62/32/03/775623203.db2.gz LSBKDHDQCDUTBK-UHFFFAOYSA-N -1 0 317.349 1.189 50 30 DDEARM N#Cc1ccc(S(=O)(=O)[N-]c2ccsc2C(N)=O)cc1 ZINC000079106518 353549997 /nfs/dbraw/zinc/54/99/97/353549997.db2.gz KFCZWFUPRQMUAZ-UHFFFAOYSA-N -1 0 307.356 1.519 50 30 DDEARM Cc1ccc(S(=O)([O-])=NC(=O)NCc2ccccn2)cc1 ZINC000000373079 406642980 /nfs/dbraw/zinc/64/29/80/406642980.db2.gz IQUXUMNIOUMNJV-UHFFFAOYSA-N -1 0 305.359 1.783 50 30 DDEARM CCOC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccccc1C ZINC000048426456 407098013 /nfs/dbraw/zinc/09/80/13/407098013.db2.gz QPSUQYQUWWGZLT-UHFFFAOYSA-N -1 0 314.363 1.776 50 30 DDEARM CC(=O)C(C(C)=O)=C1c2ccccc2C(=O)C([O-])=C1[N+](=O)[O-] ZINC000100361876 418492877 /nfs/dbraw/zinc/49/28/77/418492877.db2.gz WLUZJUPWBWBPEC-UHFFFAOYSA-N -1 0 301.254 1.234 50 30 DDEARM CCN(CC)c1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cn1 ZINC000102293974 418495145 /nfs/dbraw/zinc/49/51/45/418495145.db2.gz ZGFNLDOAIZONQG-CQSZACIVSA-N -1 0 314.389 1.873 50 30 DDEARM N#CC(C(=O)N1CCCC1)=C([O-])c1cncc(Br)c1 ZINC000103502607 418496192 /nfs/dbraw/zinc/49/61/92/418496192.db2.gz RSQIYDKORUJLNF-NSHDSACASA-N -1 0 322.162 1.789 50 30 DDEARM N#Cc1cn(CCNc2nc3ccccc3s2)c(=O)[n-]c1=O ZINC000048325387 418470056 /nfs/dbraw/zinc/47/00/56/418470056.db2.gz CMIPBVAVPCCOSR-UHFFFAOYSA-N -1 0 313.342 1.542 50 30 DDEARM CCOCC(=O)[N-]S(=O)(=O)c1ccccc1C(=O)OC ZINC000084801126 484002273 /nfs/dbraw/zinc/00/22/73/484002273.db2.gz ZVNKNKIBSNJCCD-UHFFFAOYSA-N -1 0 301.320 1.155 50 30 DDEARM C/C(=N\N=C1/NC(=O)[C@H](CC(=O)[O-])S1)c1ccccc1O ZINC000005151611 181210010 /nfs/dbraw/zinc/21/00/10/181210010.db2.gz TUQGIQKVZLEHMX-XVBMGZJVSA-N -1 0 307.331 1.179 50 30 DDEARM CC(C)c1nc(CC(=O)Nc2nc(C#N)c(C#N)[n-]2)cs1 ZINC000043032197 183331198 /nfs/dbraw/zinc/33/11/98/183331198.db2.gz TVXNMWXULJFFKK-UHFFFAOYSA-N -1 0 300.347 1.914 50 30 DDEARM Cc1ccccc1C(=O)N[C@@H](C(=O)[N-]S(C)(=O)=O)C(C)C ZINC000048479352 183661475 /nfs/dbraw/zinc/66/14/75/183661475.db2.gz OLTZVZYELAWVMS-GFCCVEGCSA-N -1 0 312.391 1.666 50 30 DDEARM O=C([O-])c1ccc([C@H]2C3C(=O)CCCC3=Nc3ncnn32)cc1 ZINC000018195698 304250888 /nfs/dbraw/zinc/25/08/88/304250888.db2.gz HOIXIQWANOTLLD-AWEZNQCLSA-N -1 0 310.313 1.998 50 30 DDEARM CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C)cc1 ZINC000048491744 221455939 /nfs/dbraw/zinc/45/59/39/221455939.db2.gz YAFZUUIKUWDDPQ-RNCFNFMXSA-N -1 0 310.375 1.624 50 30 DDEARM CCOC(=O)N=S(=O)([O-])c1ccc(N=NN(C)C)cc1 ZINC000004616391 406726075 /nfs/dbraw/zinc/72/60/75/406726075.db2.gz FNMJTGLDFHSUFI-WYMLVPIESA-N -1 0 300.340 1.886 50 30 DDEARM CC(C)Sc1n[nH]c([N-]S(=O)(=O)c2cccc(C#N)c2)n1 ZINC000076023426 406950879 /nfs/dbraw/zinc/95/08/79/406950879.db2.gz HBXGVYXSRJVQHV-UHFFFAOYSA-N -1 0 323.403 1.978 50 30 DDEARM CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C2CCCCCC2)C1 ZINC000078611888 407036394 /nfs/dbraw/zinc/03/63/94/407036394.db2.gz FCOIIZZJIXRHAL-JTQLQIEISA-N -1 0 302.396 1.474 50 30 DDEARM N#Cc1cc(Br)ccc1NCCc1n[nH]c(=O)[n-]1 ZINC000096008489 407223845 /nfs/dbraw/zinc/22/38/45/407223845.db2.gz OKPYNVQGNSJUJI-UHFFFAOYSA-N -1 0 308.139 1.387 50 30 DDEARM N#CCN1CCC(CNC(=O)c2cc(F)c([O-])c(F)c2)CC1 ZINC000097140486 407281768 /nfs/dbraw/zinc/28/17/68/407281768.db2.gz DZULBXSFCBXBPE-UHFFFAOYSA-N -1 0 309.316 1.636 50 30 DDEARM Cn1nncc1/C=C(\C(=O)C(=O)[O-])c1ccc2ccccc2n1 ZINC000584907816 771884406 /nfs/dbraw/zinc/88/44/06/771884406.db2.gz NCRWXTFKQZANMX-WQLSENKSSA-N -1 0 308.297 1.558 50 30 DDEARM Cc1nn2cccnc2c1C(=O)[N-]S(=O)(=O)CCC(C)C ZINC000095395398 185352667 /nfs/dbraw/zinc/35/26/67/185352667.db2.gz CAGQUDKOWXDANO-UHFFFAOYSA-N -1 0 310.379 1.718 50 30 DDEARM C#CCNC(=O)CNC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000097012515 185396939 /nfs/dbraw/zinc/39/69/39/185396939.db2.gz PWHDHYCVSSRVOH-UHFFFAOYSA-N -1 0 301.129 1.178 50 30 DDEARM CC(=O)n1[n-]c(=N)c(N=Nc2ccc(Br)cc2)c1N ZINC000005830664 181287544 /nfs/dbraw/zinc/28/75/44/181287544.db2.gz IAHLLHUMWBKCEO-QNZUYYNSSA-N -1 0 323.154 1.538 50 30 DDEARM C=CCNC(=O)c1ccc2c(c1)[n-]c(=S)n(CCOC)c2=O ZINC000002969735 257243018 /nfs/dbraw/zinc/24/30/18/257243018.db2.gz RGAIYXUXNRDOLE-UHFFFAOYSA-N -1 0 319.386 1.247 50 30 DDEARM N#Cc1ccc(OCC(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000013092036 406858500 /nfs/dbraw/zinc/85/85/00/406858500.db2.gz PMZQEVGRXGUKPI-UHFFFAOYSA-N -1 0 310.309 1.952 50 30 DDEARM CSc1nnc2n(/N=C/c3cc([N+](=O)[O-])ccc3[O-])cnn12 ZINC000038321424 406999864 /nfs/dbraw/zinc/99/98/64/406999864.db2.gz DUSLORHKFKDLQB-LFYBBSHMSA-N -1 0 319.306 1.144 50 30 DDEARM O=c1[nH]ncc(NN=Cc2ccc([O-])c([N+](=O)[O-])c2)c1Cl ZINC000085902806 407106897 /nfs/dbraw/zinc/10/68/97/407106897.db2.gz WUVOGTSGMTVCGA-PQMHYQBVSA-N -1 0 309.669 1.483 50 30 DDEARM Cc1nn(C)c(C)c1C=CC(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000096404481 407260340 /nfs/dbraw/zinc/26/03/40/407260340.db2.gz DGROGABUNXNMQV-WAYWQWQTSA-N -1 0 323.378 1.129 50 30 DDEARM N#Cc1ccc(S(=O)(=O)[N-]c2nncs2)c(Cl)c1 ZINC000096004209 407222922 /nfs/dbraw/zinc/22/29/22/407222922.db2.gz UQIZVYQRLVNUEA-UHFFFAOYSA-N -1 0 300.752 1.864 50 30 DDEARM COC(=O)c1sccc1S(=O)(=O)[N-]C(=O)[C@@H](C)OC ZINC000049135135 418475695 /nfs/dbraw/zinc/47/56/95/418475695.db2.gz LHSHQMIRRCUNBV-ZCFIWIBFSA-N -1 0 307.349 1.215 50 30 DDEARM CNC(=O)C(C#N)=C([O-])c1cnc(Cc2ccc(F)cc2)s1 ZINC000100730468 418493123 /nfs/dbraw/zinc/49/31/23/418493123.db2.gz FQBLZXSLFWTARS-NSHDSACASA-N -1 0 317.345 1.941 50 30 DDEARM C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000593222643 355827354 /nfs/dbraw/zinc/82/73/54/355827354.db2.gz QOXZALFQPDDRJC-PRHODGIISA-N -1 0 312.322 1.324 50 30 DDEARM COC(=O)N=C([N-]C(=O)OC)Nc1ccc(NC(C)=O)c(O)c1 ZINC000085389805 192500438 /nfs/dbraw/zinc/50/04/38/192500438.db2.gz AOXFOKCXJZOWSK-UHFFFAOYSA-N -1 0 324.293 1.445 50 30 DDEARM CCOC(=O)C([O-])=C(C#N)c1nnc(-c2ccccc2)s1 ZINC000006784750 181387539 /nfs/dbraw/zinc/38/75/39/181387539.db2.gz QQSZNEJLMWMGCV-JTQLQIEISA-N -1 0 301.327 1.944 50 30 DDEARM CSCC[C@H](NC=C1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000017862197 182086848 /nfs/dbraw/zinc/08/68/48/182086848.db2.gz QZPVZVJGUGTTTE-LBPRGKRZSA-N -1 0 305.355 1.745 50 30 DDEARM CC(=O)C1=C(O)C(=O)N(CCC(=O)[O-])[C@@H]1c1ccccc1F ZINC000000052553 406614599 /nfs/dbraw/zinc/61/45/99/406614599.db2.gz FJVUVFPCFMLITB-CYBMUJFWSA-N -1 0 307.277 1.585 50 30 DDEARM COc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1O ZINC000003582090 181037018 /nfs/dbraw/zinc/03/70/18/181037018.db2.gz MJFBBCSMLFBFJO-UJAVWCLSSA-N -1 0 302.282 1.629 50 30 DDEARM O=C([O-])COc1ccc(CN=Nc2ccc([N+](=O)[O-])cn2)cc1 ZINC000004598929 181128940 /nfs/dbraw/zinc/12/89/40/181128940.db2.gz SSECXXKOQISENK-FRKPEAEDSA-N -1 0 316.273 1.899 50 30 DDEARM N#CCCCS(=O)(=O)[N-]C(=O)c1ccc(Cl)c(F)c1 ZINC000095987704 193478962 /nfs/dbraw/zinc/47/89/62/193478962.db2.gz OPAWNWPUBBZUIF-UHFFFAOYSA-N -1 0 304.730 1.842 50 30 DDEARM COc1cc(OC)cc(C(=O)[N-]S(=O)(=O)c2cccnc2)c1 ZINC000042323095 183254143 /nfs/dbraw/zinc/25/41/43/183254143.db2.gz MPBPTKGEULMALJ-UHFFFAOYSA-N -1 0 322.342 1.792 50 30 DDEARM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1occc1C ZINC000330032098 533213917 /nfs/dbraw/zinc/21/39/17/533213917.db2.gz IFUXOFCXTGLFFK-BDAKNGLRSA-N -1 0 303.336 1.420 50 30 DDEARM C=CCN1C(=O)[N-]C(=O)/C(=C/c2ccc(OC)c(OC)c2)C1=O ZINC000000494153 406652341 /nfs/dbraw/zinc/65/23/41/406652341.db2.gz ZCXYKJIKOTZJAS-FLIBITNWSA-N -1 0 316.313 1.352 50 30 DDEARM CC(C)OCCS(=O)(=O)[N-]c1nn(C(C)C)cc1C#N ZINC000160660444 408510720 /nfs/dbraw/zinc/51/07/20/408510720.db2.gz ZNYFKWGUWPDXGU-UHFFFAOYSA-N -1 0 300.384 1.502 50 30 DDEARM C[C@H](Oc1ccccc1C#N)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000261793199 163704378 /nfs/dbraw/zinc/70/43/78/163704378.db2.gz UALLMASKBLCIHG-WCQYABFASA-N -1 0 318.329 1.028 50 30 DDEARM N#CCSCC(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000049515027 418478812 /nfs/dbraw/zinc/47/88/12/418478812.db2.gz BGRGDGROSFJHGF-UHFFFAOYSA-N -1 0 319.795 1.778 50 30 DDEARM CCN(CC)c1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cn1 ZINC000102293979 418495189 /nfs/dbraw/zinc/49/51/89/418495189.db2.gz ZGFNLDOAIZONQG-AWEZNQCLSA-N -1 0 314.389 1.873 50 30 DDEARM C[C@H](CC#N)OC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000113691493 418501243 /nfs/dbraw/zinc/50/12/43/418501243.db2.gz XUDIGQGQKWSDDJ-MRVPVSSYSA-N -1 0 303.343 1.681 50 30 DDEARM CC[C@H](C)C(=O)NCC(=O)[N-]S(=O)(=O)c1ccc(C)s1 ZINC000078556458 523832323 /nfs/dbraw/zinc/83/23/23/523832323.db2.gz ZDLCOVGFWPNIBZ-QMMMGPOBSA-N -1 0 318.420 1.864 50 30 DDEARM Cc1c(C#N)c([N-]S(=O)(=O)c2cn(C(C)C)cn2)nn1C ZINC000585129480 771961794 /nfs/dbraw/zinc/96/17/94/771961794.db2.gz LDAGRISNYAGGKD-UHFFFAOYSA-N -1 0 308.367 1.178 50 30 DDEARM N#Cc1cccc(CS(=O)(=O)N(CC(=O)[O-])C2CCC2)c1 ZINC000593945696 356070188 /nfs/dbraw/zinc/07/01/88/356070188.db2.gz ONSHWRWYOHWECA-UHFFFAOYSA-N -1 0 308.359 1.327 50 30 DDEARM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2F)c(=O)[nH]1 ZINC000062674896 184247335 /nfs/dbraw/zinc/24/73/35/184247335.db2.gz PLSLOQYNBHJYRE-UHFFFAOYSA-N -1 0 310.306 1.516 50 30 DDEARM C#CCn1cc(CN(C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC000097112886 221482882 /nfs/dbraw/zinc/48/28/82/221482882.db2.gz BVSIWTSKXQTASC-UHFFFAOYSA-N -1 0 314.301 1.402 50 30 DDEARM C=CCNC(=O)C[C@@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O ZINC000002966914 406708241 /nfs/dbraw/zinc/70/82/41/406708241.db2.gz SOPWFGFVOHGYPS-NSHDSACASA-N -1 0 314.370 1.047 50 30 DDEARM O=C1[N-]C(=O)C(=NNc2ccc(Oc3ccccc3)cc2)C(=O)N1 ZINC000003072373 406710267 /nfs/dbraw/zinc/71/02/67/406710267.db2.gz VKWPIFPGXZEOBX-UHFFFAOYSA-N -1 0 324.296 1.613 50 30 DDEARM COC(=O)C(OC)(OC)[C@@H](c1ccccc1)C(C#N)C(=O)[O-] ZINC000004568215 406726525 /nfs/dbraw/zinc/72/65/25/406726525.db2.gz HXXWQAUMSYFMIN-RYUDHWBXSA-N -1 0 307.302 1.157 50 30 DDEARM O=[P@]([O-])(O)[C@H](O)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000008673147 406793641 /nfs/dbraw/zinc/79/36/41/406793641.db2.gz VCDTZELUHOABQI-REOHCLBHSA-N -1 0 312.049 1.654 50 30 DDEARM C=CCN1C(=O)[N-]C(=O)C(=C(C)Nc2ccccc2N)C1=O ZINC000009009680 406799756 /nfs/dbraw/zinc/79/97/56/406799756.db2.gz WAPMTQPLFMPJAI-FMIVXFBMSA-N -1 0 300.318 1.219 50 30 DDEARM N#Cc1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000009338370 406806798 /nfs/dbraw/zinc/80/67/98/406806798.db2.gz CFSHMVOTRRQOCS-UHFFFAOYSA-N -1 0 315.310 1.794 50 30 DDEARM C=CCn1c(=O)c(C(=O)NCCCO)c([O-])c2ccccc21 ZINC000100270316 407307563 /nfs/dbraw/zinc/30/75/63/407307563.db2.gz SSERCHIARDPHDI-UHFFFAOYSA-N -1 0 302.330 1.005 50 30 DDEARM C=C(C)CNC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000154269203 408006486 /nfs/dbraw/zinc/00/64/86/408006486.db2.gz AYVNGXGCBZATEV-UHFFFAOYSA-N -1 0 303.387 1.768 50 30 DDEARM C[C@H](Oc1ccccc1C#N)C(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000299743482 229382133 /nfs/dbraw/zinc/38/21/33/229382133.db2.gz NSEIYRSFDCBYQD-ZUZCIYMTSA-N -1 0 320.370 1.402 50 30 DDEARM CCCCCCCNC(=O)C(C#N)=N[N-]c1[nH]cnc1[N+](=O)[O-] ZINC000008385547 520051052 /nfs/dbraw/zinc/05/10/52/520051052.db2.gz KAMXKAHUMJFRCQ-VCHYOVAHSA-N -1 0 321.341 1.696 50 30 DDEARM COc1cc(C(=O)[O-])ccc1OCC(=O)N[C@](C)(C#N)C1CC1 ZINC000013420028 522170426 /nfs/dbraw/zinc/17/04/26/522170426.db2.gz RJLYHKDHHQBBNS-MRXNPFEDSA-N -1 0 318.329 1.581 50 30 DDEARM C[C@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1ccccc1C#N ZINC000263528465 698512252 /nfs/dbraw/zinc/51/22/52/698512252.db2.gz VGJAECGVLUEEAD-CMPLNLGQSA-N -1 0 308.359 1.432 50 30 DDEARM COC(=O)c1ccc(/N=C2/S[C@H](C(=O)[O-])CC(=O)N2C)cc1 ZINC000100279950 292006422 /nfs/dbraw/zinc/00/64/22/292006422.db2.gz DNWGAQNZOYSHQO-SJHSGFPMSA-N -1 0 322.342 1.509 50 30 DDEARM C=CCOc1ccc(Cl)cc1C=C1C(=O)[N-]C(=O)NC1=O ZINC000002901490 406704787 /nfs/dbraw/zinc/70/47/87/406704787.db2.gz FPWCOZBNVVMBJO-UHFFFAOYSA-N -1 0 306.705 1.654 50 30 DDEARM C=CCN1C(=O)[N-]C(=O)C(=C(CC)NCc2cccnc2)C1=O ZINC000005817496 406736437 /nfs/dbraw/zinc/73/64/37/406736437.db2.gz NNLJEOXZSOYULM-OUKQBFOZSA-N -1 0 314.345 1.100 50 30 DDEARM COC(=O)C(OC)(OC)[C@H](c1ccccc1)C(C#N)C(=O)[O-] ZINC000004568216 406725231 /nfs/dbraw/zinc/72/52/31/406725231.db2.gz HXXWQAUMSYFMIN-NWDGAFQWSA-N -1 0 307.302 1.157 50 30 DDEARM O=C([O-])c1n[nH]c(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)n1 ZINC000009058681 406801872 /nfs/dbraw/zinc/80/18/72/406801872.db2.gz ASNYMWKHLJQQLT-UHFFFAOYSA-N -1 0 324.112 1.274 50 30 DDEARM Cc1n[n-]c(N/N=C/c2ccc(Br)cc2)nc1=O ZINC000008871651 406797314 /nfs/dbraw/zinc/79/73/14/406797314.db2.gz MTPKYEWAKQWYCL-AWNIVKPZSA-N -1 0 308.139 1.682 50 30 DDEARM Cc1nn(-c2ccccc2)c(C)c1/C=N/Nc1nc(=O)c(C)n[n-]1 ZINC000008834366 406798229 /nfs/dbraw/zinc/79/82/29/406798229.db2.gz HBQXMUNGSYNXNM-RQZCQDPDSA-N -1 0 323.360 1.722 50 30 DDEARM C#CCNC(=O)c1c(-c2ccc(F)cc2)[n-]n(C(C)C)c1=O ZINC000252498755 408800339 /nfs/dbraw/zinc/80/03/39/408800339.db2.gz RKKPSJPOPGAILR-UHFFFAOYSA-N -1 0 301.321 1.926 50 30 DDEARM CCOC(=O)C(N=Nc1ccc(C(=O)[O-])cc1[N+](=O)[O-])C(C)=O ZINC000263631614 741912593 /nfs/dbraw/zinc/91/25/93/741912593.db2.gz DPDLAWAKNJNJGS-UHFFFAOYSA-N -1 0 323.261 1.213 50 30 DDEARM C#CCCC1(CCC(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)N=N1 ZINC000952876112 775621597 /nfs/dbraw/zinc/62/15/97/775621597.db2.gz AGFRLOYHKHOJKF-UHFFFAOYSA-N -1 0 317.349 1.997 50 30 DDEARM Cc1n[n-]c(N/N=C/c2cccc(Br)c2)nc1=O ZINC000003945105 181057935 /nfs/dbraw/zinc/05/79/35/181057935.db2.gz JBLGRZRNOILJGD-AWNIVKPZSA-N -1 0 308.139 1.682 50 30 DDEARM O=C([O-])[C@@H](CS)NC(=O)CCCc1c[nH]c2ccccc12 ZINC000005363771 181235096 /nfs/dbraw/zinc/23/50/96/181235096.db2.gz LXMVSQPUILWDOQ-CYBMUJFWSA-N -1 0 306.387 1.990 50 30 DDEARM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1occc1C ZINC000330032099 533211605 /nfs/dbraw/zinc/21/16/05/533211605.db2.gz IFUXOFCXTGLFFK-RKDXNWHRSA-N -1 0 303.336 1.420 50 30 DDEARM COc1cc(C#N)ccc1OCC(=O)N(CC(=O)[O-])C1CC1 ZINC000299746502 533498350 /nfs/dbraw/zinc/49/83/50/533498350.db2.gz XUNZZSQDKXJSMZ-UHFFFAOYSA-N -1 0 304.302 1.021 50 30 DDEARM COC(=O)c1ccc(/N=C2\S[C@H](C(=O)[O-])CC(=O)N2C)cc1 ZINC000012417097 292006530 /nfs/dbraw/zinc/00/65/30/292006530.db2.gz DNWGAQNZOYSHQO-PQJBRBTKSA-N -1 0 322.342 1.509 50 30 DDEARM Cn1nccc1C[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)F ZINC000002778365 406699262 /nfs/dbraw/zinc/69/92/62/406699262.db2.gz BOVSPNXMLYKCJV-UHFFFAOYSA-N -1 0 307.169 1.869 50 30 DDEARM CNC(=O)C(C#N)=C([O-])c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000102687495 407326244 /nfs/dbraw/zinc/32/62/44/407326244.db2.gz JVFSKWSQKSNAOY-GFCCVEGCSA-N -1 0 310.313 1.682 50 30 DDEARM CCC(=O)N(C)CCc1cc2c(c(OC)c1/C=N/[O-])OCO2 ZINC000100756903 407308448 /nfs/dbraw/zinc/30/84/48/407308448.db2.gz DSHPENJJNQMOGW-LZYBPNLTSA-N -1 0 308.334 1.643 50 30 DDEARM C=CCN1C(=O)[N-]C(=O)C(=C(C)Nc2cccc(F)c2)C1=O ZINC000101076985 407308798 /nfs/dbraw/zinc/30/87/98/407308798.db2.gz JKKIAKLIQLRQSJ-FMIVXFBMSA-N -1 0 303.293 1.776 50 30 DDEARM CCn1ncc(C#N)c1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000195573274 407467070 /nfs/dbraw/zinc/46/70/70/407467070.db2.gz ZTOFTVGCNHBIEO-UHFFFAOYSA-N -1 0 312.301 1.854 50 30 DDEARM CCn1ncc(C#N)c1[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000187761845 407892090 /nfs/dbraw/zinc/89/20/90/407892090.db2.gz FLJUYSAHOFAVTK-UHFFFAOYSA-N -1 0 308.338 1.856 50 30 DDEARM C=CCCCS(=O)(=O)[N-]c1cn(-c2cccc(OC)c2)nn1 ZINC000585129675 771961834 /nfs/dbraw/zinc/96/18/34/771961834.db2.gz RIEXGKBPBGKRBS-UHFFFAOYSA-N -1 0 322.390 1.984 50 30 DDEARM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)CCc2nnc[nH]2)c1 ZINC000075110841 353347570 /nfs/dbraw/zinc/34/75/70/353347570.db2.gz YIUQEVUDYUYFSM-UHFFFAOYSA-N -1 0 308.363 1.700 50 30 DDEARM O=c1[n-]c(=O)c(SC(F)(F)C(F)(F)C(F)(F)F)n[nH]1 ZINC000004137143 181078187 /nfs/dbraw/zinc/07/81/87/181078187.db2.gz RBADAMDLJQEDNS-UHFFFAOYSA-N -1 0 313.154 1.341 50 30 DDEARM COc1ccc(/C(C)=N/N=C2/NC(=O)[C@H](CC(=O)[O-])S2)cc1 ZINC000004718973 181141801 /nfs/dbraw/zinc/14/18/01/181141801.db2.gz QIOOUWZCADDWBS-AXLKIAQESA-N -1 0 321.358 1.482 50 30 DDEARM C=CCOC(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)[O-] ZINC000004899907 181170229 /nfs/dbraw/zinc/17/02/29/181170229.db2.gz IHXJYHSRKKRBPX-JTQLQIEISA-N -1 0 316.354 1.657 50 30 DDEARM C=CCn1c2nc(C3CC3)cc(C(=O)[O-])c2c(=O)[nH]c1=S ZINC000020615918 182239250 /nfs/dbraw/zinc/23/92/50/182239250.db2.gz FRYJNGKOTHTDOT-UHFFFAOYSA-N -1 0 303.343 1.842 50 30 DDEARM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C)[nH]c2=O)s1 ZINC000062674579 184247196 /nfs/dbraw/zinc/24/71/96/184247196.db2.gz XYJSMVZQXCEIIN-UHFFFAOYSA-N -1 0 312.372 1.747 50 30 DDEARM O=C([O-])c1ccccc1[C@@H]1C2C(=O)CCCC2=Nc2ncnn21 ZINC000018195755 304271273 /nfs/dbraw/zinc/27/12/73/304271273.db2.gz JSRNTGHTCYWBTH-CQSZACIVSA-N -1 0 310.313 1.998 50 30 DDEARM CCOC(=O)c1[nH]c2ccccc2c1-n1cc(C#N)c(=O)[n-]c1=O ZINC000001400597 406669553 /nfs/dbraw/zinc/66/95/53/406669553.db2.gz WSIDZYFVUJJSFF-UHFFFAOYSA-N -1 0 324.296 1.055 50 30 DDEARM COc1ccc(C=NC(=S)Nc2nnc(C)c(=O)[n-]2)cc1 ZINC000002597827 406689974 /nfs/dbraw/zinc/68/99/74/406689974.db2.gz XURDANGVTCEZEC-VGOFMYFVSA-N -1 0 303.347 1.298 50 30 DDEARM COC(=O)[C@H]1C([O-])=C(C(=O)C=Cc2ccco2)C(=O)CC1(C)C ZINC000100150827 407307359 /nfs/dbraw/zinc/30/73/59/407307359.db2.gz OZNNWTQYFYFKJQ-JLVOYYQZSA-N -1 0 318.325 1.835 50 30 DDEARM O=C1[N-]C(=S)NC(=O)C1=NNc1ccccc1C(F)(F)F ZINC000005687407 280281611 /nfs/dbraw/zinc/28/16/11/280281611.db2.gz FUVXCAQVEQEAPP-UHFFFAOYSA-N -1 0 316.264 1.004 50 30 DDEARM O=C([O-])C(F)(F)N1C[C@@H](C(F)(F)F)O[C@H](C(F)(F)F)C1 ZINC000100698852 304027267 /nfs/dbraw/zinc/02/72/67/304027267.db2.gz UAIHDPZPOAHNGV-IMJSIDKUSA-N -1 0 317.132 1.858 50 30 DDEARM COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CC(=O)[O-])cc1 ZINC000000283222 180747187 /nfs/dbraw/zinc/74/71/87/180747187.db2.gz LQHLXOBIIJVCHE-ZDUSSCGKSA-N -1 0 305.286 1.064 50 30 biogenic DDEARM Cc1nnc(SCC(=O)[O-])n1/N=C/c1ccc2c(c1)OCO2 ZINC000002532897 180932488 /nfs/dbraw/zinc/93/24/88/180932488.db2.gz MTIQXQXGTDHQMM-LHHJGKSTSA-N -1 0 320.330 1.374 50 30 DDEARM C=CCOc1ccc(Cc2c([O-])n(C)c(=O)n(C)c2=O)cc1 ZINC000002503573 180928570 /nfs/dbraw/zinc/92/85/70/180928570.db2.gz KUGGMRPNFSYHFZ-UHFFFAOYSA-N -1 0 302.330 1.461 50 30 DDEARM O=C([N-][C@H]1CCCC(=O)N1)C(F)(F)C(F)(F)C(F)(F)F ZINC000005480453 181248542 /nfs/dbraw/zinc/24/85/42/181248542.db2.gz KBKTUYPHCCCKCF-BYPYZUCNSA-N -1 0 310.169 1.562 50 30 DDEARM O=c1[n-]c(=O)c(NN=Cc2ccc(Cl)cc2Cl)n[nH]1 ZINC000015905911 182024048 /nfs/dbraw/zinc/02/40/48/182024048.db2.gz OCKJXVNOKDZWAB-YIXHJXPBSA-N -1 0 300.105 1.623 50 30 DDEARM N#Cc1cccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)c1 ZINC000071892474 406862622 /nfs/dbraw/zinc/86/26/22/406862622.db2.gz MKGKMTGXOACMFO-ZDUSSCGKSA-N -1 0 308.359 1.762 50 30 DDEARM CN1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000095946092 407216289 /nfs/dbraw/zinc/21/62/89/407216289.db2.gz ZIRXOYIIGNUTHJ-CYBMUJFWSA-N -1 0 307.375 1.688 50 30 DDEARM CCOc1ccc(/N=C(\C)c2c([O-])n(C)c(=O)n(C)c2=O)cc1 ZINC000101161160 407309210 /nfs/dbraw/zinc/30/92/10/407309210.db2.gz YBPRNFPFQONYTF-LICLKQGHSA-N -1 0 317.345 1.329 50 30 DDEARM C[C@H](Oc1ccccc1C#N)C(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000299743480 229382744 /nfs/dbraw/zinc/38/27/44/229382744.db2.gz NSEIYRSFDCBYQD-BONVTDFDSA-N -1 0 320.370 1.402 50 30 DDEARM C=CCN1C(=O)[N-]C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)C1=O ZINC000000242657 696005254 /nfs/dbraw/zinc/00/52/54/696005254.db2.gz SCTZFVADUCQPJX-DHZHZOJOSA-N -1 0 301.258 1.243 50 30 DDEARM N#Cc1n[nH]cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000585129434 771961901 /nfs/dbraw/zinc/96/19/01/771961901.db2.gz JHCSGWUYULRRMC-UHFFFAOYSA-N -1 0 302.359 1.961 50 30 DDEARM C#CCCC1(CCC(=O)N2CCc3[nH]nc(C(=O)[O-])c3C2)N=N1 ZINC000952876817 775626750 /nfs/dbraw/zinc/62/67/50/775626750.db2.gz XQGAUVHGKRHWIF-UHFFFAOYSA-N -1 0 315.333 1.348 50 30 DDEARM CC1=CC(=O)C(=C([O-])C=Cc2ccc3c(c2)OCCO3)C(=O)O1 ZINC000003581873 181036864 /nfs/dbraw/zinc/03/68/64/181036864.db2.gz ZEVONAYHYJHSBU-WPTTZPOMSA-N -1 0 314.293 1.686 50 30 DDEARM N#CCOc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCOCC3)c2c1 ZINC000036365564 182819934 /nfs/dbraw/zinc/81/99/34/182819934.db2.gz NGQSFUFBPQMACN-OAHLLOKOSA-N -1 0 315.329 1.528 50 30 DDEARM C/C(=N\N=C1/NC(=O)[C@H](CC(=O)[O-])S1)c1ccc(O)cc1 ZINC000058469034 184119255 /nfs/dbraw/zinc/11/92/55/184119255.db2.gz HAMDEYCQNUSCFK-XVBMGZJVSA-N -1 0 307.331 1.179 50 30 DDEARM CC[C@H](OC)C(=O)[N-]S(=O)(=O)c1ccccc1C(=O)OC ZINC000062674163 184247152 /nfs/dbraw/zinc/24/71/52/184247152.db2.gz DCJWFPQZXAIKBK-JTQLQIEISA-N -1 0 315.347 1.543 50 30 DDEARM C=C(C)COc1ccc(C(=O)N2CC[C@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC000065370814 184329560 /nfs/dbraw/zinc/32/95/60/184329560.db2.gz KNUZESXWDAQAAY-DZGCQCFKSA-N -1 0 319.357 1.692 50 30 DDEARM COc1ccccc1S(=O)(=O)[N-]c1cc(C)nn1CCC#N ZINC000066247968 184398742 /nfs/dbraw/zinc/39/87/42/184398742.db2.gz DJSONPVREJUMBX-UHFFFAOYSA-N -1 0 320.374 1.915 50 30 DDEARM CNC(=O)C(C#N)=C([O-])c1ccc2c(c1)nc(C(F)(F)F)n2C ZINC000102708182 407326177 /nfs/dbraw/zinc/32/61/77/407326177.db2.gz RZERQZSXWSXCST-MRVPVSSYSA-N -1 0 324.262 1.661 50 30 DDEARM NC1=NN(c2ccccc2)C(=O)C1=NNc1ccccc1C(=O)[O-] ZINC000100862964 407308329 /nfs/dbraw/zinc/30/83/29/407308329.db2.gz XCOYWYJEOAJARJ-UYRXBGFRSA-N -1 0 323.312 1.472 50 30 DDEARM O=c1cc(N=Cc2coc3cc([O-])ccc3c2=O)[nH]c(=S)[nH]1 ZINC000100750597 407308455 /nfs/dbraw/zinc/30/84/55/407308455.db2.gz OIEBJHRKPSWWIL-PJQLUOCWSA-N -1 0 315.310 1.995 50 30 DDEARM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCO2 ZINC000048491228 418472705 /nfs/dbraw/zinc/47/27/05/418472705.db2.gz DXSRVWAXXITIAF-UHFFFAOYSA-N -1 0 322.342 1.920 50 30 DDEARM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)CCc1ccco1 ZINC000048534139 418473757 /nfs/dbraw/zinc/47/37/57/418473757.db2.gz KBTLCKZXLHIIBU-UHFFFAOYSA-N -1 0 311.363 1.908 50 30 DDEARM C=C(C)COc1cccc(C(=O)NCCCc2nnn[n-]2)c1 ZINC000055401293 518619620 /nfs/dbraw/zinc/61/96/20/518619620.db2.gz IERJJQBDWGCDQM-UHFFFAOYSA-N -1 0 301.350 1.517 50 30 DDEARM C=CCOc1ccc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc1 ZINC000005018781 181191570 /nfs/dbraw/zinc/19/15/70/181191570.db2.gz NXJNKPZRFHEVQX-XYOKQWHBSA-N -1 0 302.286 1.229 50 30 DDEARM O=C1[N-]C(=S)NC(=O)C1=NNc1ccccc1-c1ccccc1 ZINC000005687439 181273166 /nfs/dbraw/zinc/27/31/66/181273166.db2.gz XSKNONCGKUVTBD-UHFFFAOYSA-N -1 0 324.365 1.652 50 30 DDEARM Cc1nc(=O)[n-]c(SCC(=O)N[C@H](C)c2ccco2)c1C#N ZINC000032776414 182662473 /nfs/dbraw/zinc/66/24/73/182662473.db2.gz FJVWGOQHWIOKPT-SECBINFHSA-N -1 0 318.358 1.513 50 30 DDEARM CC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1 ZINC000068723774 406659649 /nfs/dbraw/zinc/65/96/49/406659649.db2.gz UGTKAPNOVXBDCO-SECBINFHSA-N -1 0 313.379 1.546 50 30 DDEARM CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)[N-]S(C)(=O)=O ZINC000071892367 406862864 /nfs/dbraw/zinc/86/28/64/406862864.db2.gz HUXXSQNITREYED-VIFPVBQESA-N -1 0 310.379 1.975 50 30 DDEARM CC(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000078556566 407034170 /nfs/dbraw/zinc/03/41/70/407034170.db2.gz GCXCMFCVOHMDBE-LLVKDONJSA-N -1 0 302.396 1.330 50 30 DDEARM C=CCn1c(=O)c(C(=O)Nc2ncccn2)c([O-])c2ccccc21 ZINC000100513812 407307793 /nfs/dbraw/zinc/30/77/93/407307793.db2.gz SSKBJUIGPABRQP-UHFFFAOYSA-N -1 0 322.324 1.935 50 30 DDEARM Cc1cc(C)nc([N-]S(=O)(=O)c2cccc(CC#N)c2)n1 ZINC000225531303 407592075 /nfs/dbraw/zinc/59/20/75/407592075.db2.gz ZBVKMOVWVODVQI-UHFFFAOYSA-N -1 0 302.359 1.960 50 30 DDEARM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1csc(C(C)C)n1 ZINC000073838655 483944336 /nfs/dbraw/zinc/94/43/36/483944336.db2.gz JEMAFCMVSQNIKE-MRVPVSSYSA-N -1 0 306.409 1.936 50 30 DDEARM CCc1cnc([N-]S(=O)(=O)Cc2ccc(C#N)cc2)s1 ZINC000095988770 484017681 /nfs/dbraw/zinc/01/76/81/484017681.db2.gz FDBUZGQWUQJQMS-UHFFFAOYSA-N -1 0 307.400 2.519 50 30 DDEARM C/C(=N\N=C1/NC(=O)[C@@H](CC(=O)[O-])S1)c1ccc(O)cc1 ZINC000058469036 184119229 /nfs/dbraw/zinc/11/92/29/184119229.db2.gz HAMDEYCQNUSCFK-MIJYTDESSA-N -1 0 307.331 1.179 50 30 DDEARM Cc1ccc(S(=O)([O-])=NC(=O)NN2C[C@H]3CCC[C@@H]3C2)cc1 ZINC000000523925 406652957 /nfs/dbraw/zinc/65/29/57/406652957.db2.gz BOVGTQGAOIONJV-CHWSQXEVSA-N -1 0 323.418 1.834 50 30 world DDEARM COC(=O)CS(=O)(=O)[N-]C(=O)c1cc2ccccc2s1 ZINC000069896839 406788741 /nfs/dbraw/zinc/78/87/41/406788741.db2.gz ZINRJPNWANHFFU-UHFFFAOYSA-N -1 0 313.356 1.709 50 30 DDEARM N#Cc1nc(NC(=O)c2cnn(-c3ccccc3)c2)[n-]c1C#N ZINC000012544332 406846366 /nfs/dbraw/zinc/84/63/66/406846366.db2.gz NFHYWLJMMNONJB-UHFFFAOYSA-N -1 0 303.285 1.591 50 30 DDEARM CCn1nc(C)c(/C=C/C(=O)c2c([O-])[nH]c(=O)sc2=O)c1C ZINC000036621289 406981285 /nfs/dbraw/zinc/98/12/85/406981285.db2.gz PWXRVVSIRCXCPC-AATRIKPKSA-N -1 0 321.358 1.232 50 30 DDEARM N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)CC1 ZINC000096013363 407223660 /nfs/dbraw/zinc/22/36/60/407223660.db2.gz PCNGBUVTNNTUSL-OLZOCXBDSA-N -1 0 322.361 1.679 50 30 DDEARM CNC(=O)C(C#N)=C([O-])c1cnn(-c2ccccc2Cl)c1C ZINC000102759103 407326532 /nfs/dbraw/zinc/32/65/32/407326532.db2.gz YPJRQIHWHRUQIF-SNVBAGLBSA-N -1 0 316.748 1.903 50 30 DDEARM CCCCCCCNC(=O)C(C#N)=N[N-]c1[nH]cnc1[N+](=O)[O-] ZINC000252616434 408805376 /nfs/dbraw/zinc/80/53/76/408805376.db2.gz KAMXKAHUMJFRCQ-UHFFFAOYSA-N -1 0 321.341 1.696 50 30 DDEARM C=CC[C@]1(C(=O)[O-])CCCN(C(=O)CCCN2CCCC2=O)C1 ZINC000091493419 519120920 /nfs/dbraw/zinc/12/09/20/519120920.db2.gz NGJYDBSQRLSKCJ-KRWDZBQOSA-N -1 0 322.405 1.659 50 30 DDEARM COc1cccc(S(=O)(=O)[N-]C(=O)CCc2cnn(C)c2)c1 ZINC000058187971 526243340 /nfs/dbraw/zinc/24/33/40/526243340.db2.gz RVEYEYUYHVNOEF-UHFFFAOYSA-N -1 0 323.374 1.707 50 30 DDEARM COc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1O ZINC000048520729 696213413 /nfs/dbraw/zinc/21/34/13/696213413.db2.gz MJFBBCSMLFBFJO-QTLSWZBMSA-N -1 0 302.282 1.629 50 30 DDEARM C[C@@H](Oc1cccc(C#N)c1)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000237503624 186298288 /nfs/dbraw/zinc/29/82/88/186298288.db2.gz UXQLRJLRNPJBAN-BZNIZROVSA-N -1 0 302.330 1.649 50 30 DDEARM O=C([O-])c1ccccc1[C@H]1C2C(=O)CCCC2=Nc2ncnn21 ZINC000018195757 304271869 /nfs/dbraw/zinc/27/18/69/304271869.db2.gz JSRNTGHTCYWBTH-AWEZNQCLSA-N -1 0 310.313 1.998 50 30 DDEARM COC(=O)c1ccc([N-]/N=C(\C#N)S(=O)(=O)C(C)(C)C)cc1 ZINC000003047541 406711716 /nfs/dbraw/zinc/71/17/16/406711716.db2.gz PQDNUHMAJFMSCH-SFQUDFHCSA-N -1 0 323.374 1.935 50 30 DDEARM CCOc1cc(C#N)ccc1OCC(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000078737313 407043188 /nfs/dbraw/zinc/04/31/88/407043188.db2.gz HJGBPHDTLNYICO-OAHLLOKOSA-N -1 0 320.345 1.561 50 30 DDEARM COc1ccc([O-])c(C(=O)c2cnn(-c3oc(C)nc3C#N)c2)c1 ZINC000055149276 407196063 /nfs/dbraw/zinc/19/60/63/407196063.db2.gz LPIXYVKDFJRODH-UHFFFAOYSA-N -1 0 324.296 1.986 50 30 DDEARM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)cn1 ZINC000097135117 407281888 /nfs/dbraw/zinc/28/18/88/407281888.db2.gz SDCKMZUZCCQVBJ-UHFFFAOYSA-N -1 0 302.290 1.765 50 30 DDEARM N#CCOc1ccccc1C(=O)[N-]S(=O)(=O)CC(F)(F)F ZINC000170646028 407463207 /nfs/dbraw/zinc/46/32/07/407463207.db2.gz OOGSQPNFYGHOTO-UHFFFAOYSA-N -1 0 322.264 1.211 50 30 DDEARM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)OC)c(OC)c1 ZINC000048762025 418474744 /nfs/dbraw/zinc/47/47/44/418474744.db2.gz LVEDQBIHKGOCJT-MRVPVSSYSA-N -1 0 303.336 1.384 50 30 DDEARM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1nccc2ccccc21 ZINC000073839005 483943758 /nfs/dbraw/zinc/94/37/58/483943758.db2.gz IOFGXTARPPZTQH-SNVBAGLBSA-N -1 0 308.359 1.904 50 30 DDEARM C[C@@H](NC(=O)CC1CCCCC1)C(=O)[N-]S(=O)(=O)N(C)C ZINC000069874494 525078482 /nfs/dbraw/zinc/07/84/82/525078482.db2.gz SMJVRWVBNDGVDN-SNVBAGLBSA-N -1 0 319.427 1.224 50 30 DDEARM C#CCCC1(CCC(=O)N[C@@H](CC(=O)[O-])C2CCOCC2)N=N1 ZINC000952876357 775624732 /nfs/dbraw/zinc/62/47/32/775624732.db2.gz NZGHVSJMULLDKM-ZDUSSCGKSA-N -1 0 321.377 1.728 50 30 DDEARM C#CCCC1(CCC(=O)N[C@](C)(Cn2cccn2)C(=O)[O-])N=N1 ZINC000952876523 775625082 /nfs/dbraw/zinc/62/50/82/775625082.db2.gz UYFSYCVSEIFLKJ-CQSZACIVSA-N -1 0 317.349 1.198 50 30 DDEARM CS(=O)(=O)[N-]C(=O)c1ccc(Cn2cc(Cl)cn2)o1 ZINC000079101904 185158371 /nfs/dbraw/zinc/15/83/71/185158371.db2.gz XJQCLEZLMUOYPW-UHFFFAOYSA-N -1 0 303.727 1.442 50 30 DDEARM COc1cccc(/C=N/N=C2\NC(=O)[C@@H](CC(=O)[O-])S2)c1 ZINC000004756006 181149136 /nfs/dbraw/zinc/14/91/36/181149136.db2.gz LWCCFPXDZUDWBF-FBWGLTFQSA-N -1 0 307.331 1.091 50 30 DDEARM C=CCN1C(=O)[N-]C(=O)C(=C(C)Nc2ccc(F)cc2)C1=O ZINC000017835758 182086107 /nfs/dbraw/zinc/08/61/07/182086107.db2.gz UBLKPKCPUYZMQW-XFXZXTDPSA-N -1 0 303.293 1.776 50 30 DDEARM CNC(=O)C(C#N)=C([O-])c1cnc2c(cnn2C2CCCC2)c1 ZINC000103747434 221494946 /nfs/dbraw/zinc/49/49/46/221494946.db2.gz URSIYCXPDICPNU-ZDUSSCGKSA-N -1 0 311.345 1.615 50 30 DDEARM CNC(=O)C(C#N)=C([O-])c1ccc2c(c1)nc(C(F)(F)F)n2C ZINC000102708181 407326164 /nfs/dbraw/zinc/32/61/64/407326164.db2.gz RZERQZSXWSXCST-QMMMGPOBSA-N -1 0 324.262 1.661 50 30 DDEARM COc1ccc2[nH]c(=NN=C3C(=O)[N-]C(=O)NC3=O)sc2c1 ZINC000006093163 415134408 /nfs/dbraw/zinc/13/44/08/415134408.db2.gz QMXUMVADIVIZSS-UHFFFAOYSA-N -1 0 319.302 1.279 50 30 DDEARM COC(=O)c1sccc1S(=O)(=O)[N-]C(=O)[C@H](C)OC ZINC000049135134 418475630 /nfs/dbraw/zinc/47/56/30/418475630.db2.gz LHSHQMIRRCUNBV-LURJTMIESA-N -1 0 307.349 1.215 50 30 DDEARM Cc1cccc(C([O-])=C(C#N)C(=O)NC[C@H]2CCCO2)c1C ZINC000103502316 418496772 /nfs/dbraw/zinc/49/67/72/418496772.db2.gz JHEUDYLHWXMPRO-UKRRQHHQSA-N -1 0 300.358 1.921 50 30 DDEARM Cc1nc2ccc(C(=O)Nc3nc(C#N)c(C#N)[n-]3)cc2nc1C ZINC000040501116 302662963 /nfs/dbraw/zinc/66/29/63/302662963.db2.gz BFCXSZQNZYEKQA-UHFFFAOYSA-N -1 0 317.312 1.965 50 30 DDEARM CC(=O)Nc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1 ZINC000221984518 697756098 /nfs/dbraw/zinc/75/60/98/697756098.db2.gz CRUKFGFDBWHPKO-KQQSKNTNSA-N -1 0 313.309 1.873 50 30 DDEARM C[C@H](Oc1ccccc1C#N)C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000072280274 191101775 /nfs/dbraw/zinc/10/17/75/191101775.db2.gz BYVCHBJBNKBQON-AAEUAGOBSA-N -1 0 302.330 1.791 50 30 DDEARM N#CCOc1ccccc1C=Cc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-] ZINC000004565351 181125051 /nfs/dbraw/zinc/12/50/51/181125051.db2.gz SSBMBTBQLYNLHQ-AATRIKPKSA-N -1 0 314.257 1.456 50 30 DDEARM CC(C)NC(=O)CSc1sc2c([nH]c(=O)cc2[O-])c1C#N ZINC000004945420 181177583 /nfs/dbraw/zinc/17/75/83/181177583.db2.gz VGKBANYFWJRALT-UHFFFAOYSA-N -1 0 323.399 1.784 50 30 DDEARM NC(=N[N+](=O)[O-])NN=Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000004954048 181178744 /nfs/dbraw/zinc/17/87/44/181178744.db2.gz UYVJAFUSFJOEFF-CHHVJCJISA-N -1 0 317.261 1.075 50 30 DDEARM C=CCn1c([O-])c(Cc2ccc(OCC)cc2)c(=O)[nH]c1=O ZINC000005245065 181221175 /nfs/dbraw/zinc/22/11/75/181221175.db2.gz WXNIAPIICXJILN-UHFFFAOYSA-N -1 0 302.330 1.418 50 30 DDEARM CS(=O)(=O)[N-]C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000095351148 193425952 /nfs/dbraw/zinc/42/59/52/193425952.db2.gz INQFOXDAHYIXFX-UHFFFAOYSA-N -1 0 311.768 1.008 50 30 DDEARM C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000013167462 181835644 /nfs/dbraw/zinc/83/56/44/181835644.db2.gz XQPHVPCZZYKYMI-LLVKDONJSA-N -1 0 302.330 1.649 50 30 DDEARM O=C([O-])C[C@@H]1SC(/N=C/c2ccc(Cl)cc2)=NNC1=O ZINC000000031935 406614270 /nfs/dbraw/zinc/61/42/70/406614270.db2.gz RDVQFSSCCOYZOC-RGEMTFFCSA-N -1 0 311.750 1.736 50 30 DDEARM C=CCn1c([O-])c(Cc2ccc(OC)c(OC)c2)c(=O)[nH]c1=O ZINC000002999882 406708877 /nfs/dbraw/zinc/70/88/77/406708877.db2.gz NNMGFXIYGXIDHC-NSHDSACASA-N -1 0 318.329 1.127 50 30 biogenic,in-vitro DDEARM CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)[N-]S(C)(=O)=O ZINC000071892366 406862703 /nfs/dbraw/zinc/86/27/03/406862703.db2.gz HUXXSQNITREYED-SECBINFHSA-N -1 0 310.379 1.975 50 30 DDEARM CCCS(=O)(=O)/N=C(\[O-])c1cc2c(C)nn(C)c2s1 ZINC000096416187 407262403 /nfs/dbraw/zinc/26/24/03/407262403.db2.gz YVQCCCLRTWLTOO-UHFFFAOYSA-N -1 0 301.393 1.988 50 30 DDEARM Cc1ccoc1C([O-])=C(C#N)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000102734750 407326382 /nfs/dbraw/zinc/32/63/82/407326382.db2.gz KILNJTQYNPSEOD-LLVKDONJSA-N -1 0 316.273 1.675 50 30 DDEARM CSC(=Nc1ccccc1)c1c([O-])n(C)c(=O)n(C)c1=O ZINC000102872574 407328292 /nfs/dbraw/zinc/32/82/92/407328292.db2.gz FIHZQAKYUGFAPJ-PTNGSMBKSA-N -1 0 305.359 1.231 50 30 DDEARM CNC(=O)C(C#N)=C([O-])c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000101080267 418493784 /nfs/dbraw/zinc/49/37/84/418493784.db2.gz RPTYBCDAWDFMBV-AWEZNQCLSA-N -1 0 320.308 1.814 50 30 DDEARM COc1ccc(C(=O)/C=C\c2cnn(C)c2)cc1CC(=O)[O-] ZINC000096939700 295076954 /nfs/dbraw/zinc/07/69/54/295076954.db2.gz CZWYVCNSSNAAIY-HYXAFXHYSA-N -1 0 300.314 1.952 50 30 DDEARM CCOC(=O)C(C#N)=C([O-])c1ccc(N2C(=O)CCC2=O)cc1 ZINC000000440167 180791436 /nfs/dbraw/zinc/79/14/36/180791436.db2.gz YCLDSVBXGFIRAO-GFCCVEGCSA-N -1 0 314.297 1.226 50 30 DDEARM CC1=CC(=O)C(=C([O-])C=Cc2ccc3c(c2)OCCO3)C(=O)O1 ZINC000003581884 181037294 /nfs/dbraw/zinc/03/72/94/181037294.db2.gz ZEVONAYHYJHSBU-ICTCPBKTSA-N -1 0 314.293 1.686 50 30 DDEARM COCCN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1ccc(C#N)cc1 ZINC000069567541 184526799 /nfs/dbraw/zinc/52/67/99/184526799.db2.gz TVCBKGQESUOXMJ-UKRRQHHQSA-N -1 0 302.330 1.569 50 30 DDEARM Cc1ccc(-n2nnc(C(=O)[N-]S(C)(=O)=O)c2C2CC2)cc1 ZINC000071850158 184868115 /nfs/dbraw/zinc/86/81/15/184868115.db2.gz FTLGWVYYNNESFB-UHFFFAOYSA-N -1 0 320.374 1.717 50 30 DDEARM Cc1nn(C)cc1/C=N/NC(=S)Nc1cccc(C(=O)[O-])c1 ZINC000000126404 406624403 /nfs/dbraw/zinc/62/44/03/406624403.db2.gz HXUBEZURCCDITI-VIZOYTHASA-N -1 0 317.374 1.747 50 30 DDEARM CCOc1cc(C#N)ccc1OCC(=O)N[C@H](C(=O)[O-])C(C)C ZINC000078737310 407043622 /nfs/dbraw/zinc/04/36/22/407043622.db2.gz HJGBPHDTLNYICO-HNNXBMFYSA-N -1 0 320.345 1.561 50 30 DDEARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000096479912 407270934 /nfs/dbraw/zinc/27/09/34/407270934.db2.gz VXXVQUSIAAMAMG-RYUDHWBXSA-N -1 0 311.259 1.894 50 30 DDEARM N#CC(C(=O)NC1CCCC1)=C([O-])c1cccc(-c2nc[nH]n2)c1 ZINC000225470101 407586590 /nfs/dbraw/zinc/58/65/90/407586590.db2.gz DDHGEPUPVKYJGZ-AWEZNQCLSA-N -1 0 323.356 1.853 50 30 DDEARM C=CCn1cc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)nn1 ZINC000647730643 423018546 /nfs/dbraw/zinc/01/85/46/423018546.db2.gz DISXKLDMYMRYNN-WXHSDQCUSA-N -1 0 304.350 1.322 50 30 DDEARM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)COC1CCCC1 ZINC000048491255 418472747 /nfs/dbraw/zinc/47/27/47/418472747.db2.gz GGIBGMFATKAEQV-UHFFFAOYSA-N -1 0 302.352 1.896 50 30 DDEARM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(Br)o1 ZINC000100871122 418493349 /nfs/dbraw/zinc/49/33/49/418493349.db2.gz HJASXRARZCYMBF-QMMMGPOBSA-N -1 0 311.135 1.987 50 30 DDEARM CNC(=O)C(C#N)=C([O-])c1cnc2c(cnn2C2CCCC2)c1 ZINC000103747440 418496813 /nfs/dbraw/zinc/49/68/13/418496813.db2.gz URSIYCXPDICPNU-CYBMUJFWSA-N -1 0 311.345 1.615 50 30 DDEARM CCCCNC(=O)N=S(=O)([O-])c1cccc(C(=O)OC)c1 ZINC000040116162 520553725 /nfs/dbraw/zinc/55/37/25/520553725.db2.gz HZRYZHQMBWWICH-UHFFFAOYSA-N -1 0 314.363 1.466 50 30 DDEARM N#Cc1ccccc1/C=C\C(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000222095831 697756599 /nfs/dbraw/zinc/75/65/99/697756599.db2.gz FXEZMWVDJSMBOI-FPLPWBNLSA-N -1 0 313.338 1.472 50 30 DDEARM CCOC(=O)C([O-])=C(C#N)c1nnc(-c2ccccc2)s1 ZINC000006784748 181387474 /nfs/dbraw/zinc/38/74/74/181387474.db2.gz QQSZNEJLMWMGCV-SNVBAGLBSA-N -1 0 301.327 1.944 50 30 DDEARM COC(=O)/C=C1\S/C(=N/c2ccc(C(=O)[O-])cc2)N(C)C1=O ZINC000096736620 257272046 /nfs/dbraw/zinc/27/20/46/257272046.db2.gz LKNNOYMBUYUFRD-LXOFCZGTSA-N -1 0 320.326 1.634 50 30 DDEARM COc1cc(OC)cc(C([O-])=C(C#N)C(=O)N2CCCC2)c1 ZINC000103502619 221493548 /nfs/dbraw/zinc/49/35/48/221493548.db2.gz DSQSRXTYXAZWKF-AWEZNQCLSA-N -1 0 302.330 1.649 50 30 DDEARM NS(=O)(=O)c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000000295312 406640403 /nfs/dbraw/zinc/64/04/03/406640403.db2.gz KEDCYTRVSMDRNY-OVCLIPMQSA-N -1 0 321.314 1.698 50 30 DDEARM COC(=O)C(OC)(OC)[C@@H](c1ccccc1)C(C#N)C(=O)[O-] ZINC000004568213 406727251 /nfs/dbraw/zinc/72/72/51/406727251.db2.gz HXXWQAUMSYFMIN-NEPJUHHUSA-N -1 0 307.302 1.157 50 30 DDEARM O=C([N-]S(=O)(=O)c1cccnc1)[C@@H]1COc2ccccc21 ZINC000071905006 406865741 /nfs/dbraw/zinc/86/57/41/406865741.db2.gz ZOVPFQBUEXBISQ-GFCCVEGCSA-N -1 0 304.327 1.903 50 30 DDEARM COCCCn1ccc([N-]c2ncc([N+](=O)[O-])cc2C#N)n1 ZINC000078334539 407025161 /nfs/dbraw/zinc/02/51/61/407025161.db2.gz BIINKMPDBNEIML-UHFFFAOYSA-N -1 0 302.294 1.838 50 30 DDEARM Cc1cscc1C(=O)[N-]S(=O)(=O)c1cccnc1C#N ZINC000225690091 407597041 /nfs/dbraw/zinc/59/70/41/407597041.db2.gz OWSUQNDVLYSCFG-UHFFFAOYSA-N -1 0 307.356 1.442 50 30 DDEARM C=CCn1cc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)nn1 ZINC000647730640 423018565 /nfs/dbraw/zinc/01/85/65/423018565.db2.gz DISXKLDMYMRYNN-DRZSPHRISA-N -1 0 304.350 1.322 50 30 DDEARM COCCS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1c1cccc(C#N)c1 ZINC000083147680 483982859 /nfs/dbraw/zinc/98/28/59/483982859.db2.gz LFOQFLFYRSFPFF-OLZOCXBDSA-N -1 0 308.359 1.594 50 30 DDEARM CO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000084001753 483987401 /nfs/dbraw/zinc/98/74/01/483987401.db2.gz DFJAIEKHAKUCRH-SECBINFHSA-N -1 0 315.347 1.528 50 30 DDEARM C=CC[C@@]1(C(=O)[O-])CCCN(C(=O)CCc2csc(N)n2)C1 ZINC000091270244 519108226 /nfs/dbraw/zinc/10/82/26/519108226.db2.gz DVDRASOVYLLOAR-OAHLLOKOSA-N -1 0 323.418 1.927 50 30 DDEARM N#Cc1cc2c([n-]c1=O)CCN(C(=O)Cc1ccc(F)cc1)C2 ZINC000225680797 186288716 /nfs/dbraw/zinc/28/87/16/186288716.db2.gz NTSLCTVDDGBDEO-UHFFFAOYSA-N -1 0 311.316 1.513 50 30 DDEARM CC(C)(C)OCC(=O)[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000160073960 354237096 /nfs/dbraw/zinc/23/70/96/354237096.db2.gz QGRKCOGNTDLQNH-UHFFFAOYSA-N -1 0 314.338 1.317 50 30 DDEARM CCC[C@@H]1CN(S(=O)(=O)c2ccccc2C#N)C[C@H]1C(=O)[O-] ZINC000091548369 193071930 /nfs/dbraw/zinc/07/19/30/193071930.db2.gz ODJBUYJPCKPBHZ-CHWSQXEVSA-N -1 0 322.386 1.680 50 30 DDEARM C=CCNC(=S)Nc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000002703240 406695915 /nfs/dbraw/zinc/69/59/15/406695915.db2.gz KPLRPRCCYIAGKT-UHFFFAOYSA-N -1 0 307.375 1.962 50 30 DDEARM Cc1nc(=O)[n-]c(SCC(=O)NCc2cccs2)c1C#N ZINC000032776382 406953675 /nfs/dbraw/zinc/95/36/75/406953675.db2.gz AOLHLVSYSMIVII-UHFFFAOYSA-N -1 0 320.399 1.420 50 30 DDEARM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1n[nH]cc1C#N ZINC000160952409 408541610 /nfs/dbraw/zinc/54/16/10/408541610.db2.gz JACRJUGYEBWDOZ-UHFFFAOYSA-N -1 0 307.291 1.299 50 30 DDEARM COc1cccc(C(C)=NN=C2NC(=O)[C@H](CC(=O)[O-])S2)c1 ZINC000252633703 408806745 /nfs/dbraw/zinc/80/67/45/408806745.db2.gz WFUUDTJOKKEOMJ-NSHDSACASA-N -1 0 321.358 1.482 50 30 DDEARM COC(=O)c1cc(C#N)cc(I)c1[O-] ZINC000081213603 277418764 /nfs/dbraw/zinc/41/87/64/277418764.db2.gz FGMFBRLHPGSMEG-UHFFFAOYSA-N -1 0 303.055 1.655 50 30 DDEARM Cc1cc(C)c2c(c1)nc(/C=N/NC(N)=S)c(F)c2C(=O)[O-] ZINC000096171814 301213524 /nfs/dbraw/zinc/21/35/24/301213524.db2.gz SGHGSYIUGLXCRI-YAXRCOADSA-N -1 0 320.349 1.856 50 30 DDEARM C#CCCC1(CCC(=O)NC[C@@]2(C(=O)[O-])CCCOC2)N=N1 ZINC000952880582 775632634 /nfs/dbraw/zinc/63/26/34/775632634.db2.gz WFHWDGDREKKQSW-AWEZNQCLSA-N -1 0 307.350 1.340 50 30 DDEARM Cc1ccc(S(=O)(=O)[N-]NC(=S)NC(C)(C)C)cc1 ZINC000013657871 181875219 /nfs/dbraw/zinc/87/52/19/181875219.db2.gz HFUMYSBDWSPAGF-UHFFFAOYSA-N -1 0 301.437 1.862 50 30 DDEARM CN(C)c1ccc(/C=C2\S/C(=N\CC(=O)[O-])NC2=O)cc1 ZINC000016913929 182064535 /nfs/dbraw/zinc/06/45/35/182064535.db2.gz BCTSECXVHDPPDA-XFFZJAGNSA-N -1 0 305.359 1.397 50 30 DDEARM O=C([O-])c1ccc([C@H]2C3C(=O)CCCC3=Nc3nnnn32)cc1 ZINC000012348371 304250750 /nfs/dbraw/zinc/25/07/50/304250750.db2.gz NMPWCTVONQXUHW-ZDUSSCGKSA-N -1 0 311.301 1.393 50 30 DDEARM CNC(=O)C(C#N)=C([O-])c1cccc(-c2noc(C3CC3)n2)c1 ZINC000102708183 221491314 /nfs/dbraw/zinc/49/13/14/221491314.db2.gz FAKWKAHZBIVHHO-LBPRGKRZSA-N -1 0 310.313 1.682 50 30 DDEARM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)OC)c(OC)c1 ZINC000048762022 418474661 /nfs/dbraw/zinc/47/46/61/418474661.db2.gz LVEDQBIHKGOCJT-QMMMGPOBSA-N -1 0 303.336 1.384 50 30 DDEARM CC(C)(C)CS(=O)(=O)[N-]C(=O)COc1ccc(C#N)cc1 ZINC000112762047 418501594 /nfs/dbraw/zinc/50/15/94/418501594.db2.gz PBRSCNYEJILCQK-UHFFFAOYSA-N -1 0 310.375 1.429 50 30 DDEARM C=CCOC(=O)c1[nH]c2c(c1C)C([O-])=C(C(=O)OC)[C@H](C)C2 ZINC000002499356 277873715 /nfs/dbraw/zinc/87/37/15/277873715.db2.gz WDEOGJQPVWYFDC-LDYMZIIASA-N -1 0 305.330 1.830 50 30 DDEARM C/C(=N\N=C1/NC(=O)[C@@H](CC(=O)[O-])S1)c1ccc(C)cc1 ZINC000004480952 181112686 /nfs/dbraw/zinc/11/26/86/181112686.db2.gz IVSAGKFBYKIPEQ-LKBVRNOZSA-N -1 0 305.359 1.781 50 30 DDEARM CSCC(=O)[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000048419965 183658102 /nfs/dbraw/zinc/65/81/02/183658102.db2.gz RJHYQAQAFRPMPF-UHFFFAOYSA-N -1 0 302.377 1.653 50 30 DDEARM Cn1cc(S(=O)(=O)[N-]C(=O)c2ccc(Cl)cc2F)cn1 ZINC000048519986 183663609 /nfs/dbraw/zinc/66/36/09/183663609.db2.gz IDPWMZVPTXEHJK-UHFFFAOYSA-N -1 0 317.729 1.906 50 30 DDEARM O=C1c2ccccc2C(=O)N1/N=C/c1ccc([O-])c([N+](=O)[O-])c1 ZINC000000559014 406656618 /nfs/dbraw/zinc/65/66/18/406656618.db2.gz RMVKNLUZUCFKJF-LZYBPNLTSA-N -1 0 311.253 1.931 50 30 DDEARM CCOc1ccccc1/C=N/N=C1/NC(=O)[C@H](CC(=O)[O-])S1 ZINC000001152508 406666948 /nfs/dbraw/zinc/66/69/48/406666948.db2.gz WXCJENORKGUYAP-UXYFDLPDSA-N -1 0 321.358 1.482 50 30 DDEARM CCNC(=S)N=NCc1cc(OCC)c([O-])c([N+](=O)[O-])c1 ZINC000001969059 406681239 /nfs/dbraw/zinc/68/12/39/406681239.db2.gz KQKLXPALHJMNJQ-VGOFMYFVSA-N -1 0 312.351 1.928 50 30 DDEARM COc1cccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c1OC ZINC000035684748 406974346 /nfs/dbraw/zinc/97/43/46/406974346.db2.gz DFWZOLGLAVMLAW-LZNQSLFOSA-N -1 0 316.309 1.932 50 30 DDEARM Cn1cc(C(=O)[N-]S(=O)(=O)N2CCCc3ccccc32)cn1 ZINC000078556600 407034162 /nfs/dbraw/zinc/03/41/62/407034162.db2.gz CNFGWEWKMQHNBN-UHFFFAOYSA-N -1 0 320.374 1.422 50 30 DDEARM CC(C)C[C@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)C(=O)[O-] ZINC000263024559 408003375 /nfs/dbraw/zinc/00/33/75/408003375.db2.gz BGLNWZMDLLEIBL-LBPRGKRZSA-N -1 0 314.338 1.475 50 30 DDEARM COc1ccccc1/C=N/N=C1\NC(=O)[C@H](CC(=O)[O-])S1 ZINC000004184446 181082541 /nfs/dbraw/zinc/08/25/41/181082541.db2.gz IAHJSNGOWBAKDP-UQDQQJHMSA-N -1 0 307.331 1.091 50 30 DDEARM CC1=CC(=O)C(=C([O-])C=Cc2ccc3c(c2)OCO3)C(=O)O1 ZINC000019309278 182114128 /nfs/dbraw/zinc/11/41/28/182114128.db2.gz KSCGIEFVSSOWMY-TXTHVTMNSA-N -1 0 300.266 1.644 50 30 DDEARM C[C@@H](Oc1ccccc1C#N)C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000072280275 296209521 /nfs/dbraw/zinc/20/95/21/296209521.db2.gz BYVCHBJBNKBQON-YPMHNXCESA-N -1 0 302.330 1.791 50 30 DDEARM C=CCN1C(=O)[N-]C(=O)/C(=C/c2ccc(O)c(OC)c2)C1=O ZINC000015009121 406878272 /nfs/dbraw/zinc/87/82/72/406878272.db2.gz XYKBVLJWQOIINI-YFHOEESVSA-N -1 0 302.286 1.049 50 30 DDEARM COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCC(=O)[O-])cc1 ZINC000018113760 406884622 /nfs/dbraw/zinc/88/46/22/406884622.db2.gz NJKMDJJVFBMYSA-AWEZNQCLSA-N -1 0 319.313 1.454 50 30 DDEARM Cc1cc(S(=O)(=O)[N-]C(=O)c2c(C)nn(C)c2C)c(C)o1 ZINC000097035248 407275710 /nfs/dbraw/zinc/27/57/10/407275710.db2.gz VAMLUNXFYGLYDG-UHFFFAOYSA-N -1 0 311.363 1.940 50 30 DDEARM CCOC(=O)C(=N\[O-])/C(C)=N/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000105406496 407353644 /nfs/dbraw/zinc/35/36/44/407353644.db2.gz OWAPHUISXZKCJJ-CMVZYXHKSA-N -1 0 306.278 1.783 50 30 DDEARM CCn1ncc(C#N)c1[N-]S(=O)(=O)Cc1ccccc1F ZINC000170603073 407447763 /nfs/dbraw/zinc/44/77/63/407447763.db2.gz CTTONTJJDUGWDU-UHFFFAOYSA-N -1 0 308.338 1.856 50 30 DDEARM Cc1ccccc1S(=O)(=O)[N-]C(=O)CCCNC(=O)C1CC1 ZINC000048426109 418471712 /nfs/dbraw/zinc/47/17/12/418471712.db2.gz DZAJZGNEGDOUHU-UHFFFAOYSA-N -1 0 324.402 1.947 50 30 DDEARM COC(=O)c1sccc1S(=O)(=O)[N-]C(=O)CSC ZINC000048512562 418472261 /nfs/dbraw/zinc/47/22/61/418472261.db2.gz BFGCLLHLEVSBTE-UHFFFAOYSA-N -1 0 309.390 1.543 50 30 DDEARM Cc1cccc(C([O-])=C(C#N)C(=O)NC[C@@H]2CCCO2)c1C ZINC000103502313 418496181 /nfs/dbraw/zinc/49/61/81/418496181.db2.gz JHEUDYLHWXMPRO-ZFWWWQNUSA-N -1 0 300.358 1.921 50 30 DDEARM Cc1noc(CCC(=O)[N-]S(=O)(=O)Cc2ccccc2)n1 ZINC000085981523 484005174 /nfs/dbraw/zinc/00/51/74/484005174.db2.gz ADVZJJXPBNJJKI-UHFFFAOYSA-N -1 0 309.347 1.797 50 30 DDEARM Cc1cc(C#N)cc([N-]S(=O)(=O)c2cnn(C(C)C)c2)n1 ZINC000585128396 771960088 /nfs/dbraw/zinc/96/00/88/771960088.db2.gz ADWLIFNWLVPSSX-UHFFFAOYSA-N -1 0 305.363 1.840 50 30 DDEARM N#Cc1cccc([C@@H]2CN(c3cnc(C(=O)[O-])cn3)CCO2)c1 ZINC000263410157 539276193 /nfs/dbraw/zinc/27/61/93/539276193.db2.gz MBHNSPFYZOALMT-AWEZNQCLSA-N -1 0 310.313 1.624 50 30 DDEARM Cc1[nH]nc([N-]S(=O)(=O)Cc2ccc(F)cc2F)c1C#N ZINC000095466274 185371709 /nfs/dbraw/zinc/37/17/09/185371709.db2.gz APHVMKMEIUYBTD-UHFFFAOYSA-N -1 0 312.301 1.810 50 30 DDEARM Cc1ccc(C(=O)[N-]S(=O)(=O)N2CCc3ccccc32)n1C ZINC000069880106 190834179 /nfs/dbraw/zinc/83/41/79/190834179.db2.gz UHEZLCWPJSOVLX-UHFFFAOYSA-N -1 0 319.386 1.946 50 30 DDEARM CC(=O)C(=N[N-]c1cc2c(cc1[N+](=O)[O-])OCCO2)C(C)=O ZINC000005225801 181219310 /nfs/dbraw/zinc/21/93/10/181219310.db2.gz OBRCMNLOSQLUQG-UHFFFAOYSA-N -1 0 307.262 1.312 50 30 DDEARM Cc1cc(/C=N/NC(N)=S)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000005925970 181296305 /nfs/dbraw/zinc/29/63/05/181296305.db2.gz GUMVDLMEVPIDFS-CAOOACKPSA-N -1 0 316.386 1.959 50 30 DDEARM CC(=O)C1=C(O)C(=O)N(CCC(=O)[O-])[C@H]1c1ccccc1F ZINC000000052552 406615334 /nfs/dbraw/zinc/61/53/34/406615334.db2.gz FJVUVFPCFMLITB-ZDUSSCGKSA-N -1 0 307.277 1.585 50 30 DDEARM Cc1c(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2F)cnn1C ZINC000096444355 407267413 /nfs/dbraw/zinc/26/74/13/407267413.db2.gz LPKGXFKIMQQJEM-UHFFFAOYSA-N -1 0 311.338 1.870 50 30 DDEARM N#Cc1ccc(S(=O)(=O)[N-]C(=O)CCC2CCOCC2)cc1 ZINC000170645548 407464536 /nfs/dbraw/zinc/46/45/36/407464536.db2.gz YKSFHTJAOOXIEC-UHFFFAOYSA-N -1 0 322.386 1.570 50 30 DDEARM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc2c(c1)N(C)CC2 ZINC000225574960 407598166 /nfs/dbraw/zinc/59/81/66/407598166.db2.gz JIBOOYWDGOVTFX-CYBMUJFWSA-N -1 0 308.341 1.618 50 30 DDEARM CCOc1cccc(C([O-])=C(C#N)C(=O)N2CCSCC2)c1 ZINC000101087061 418493979 /nfs/dbraw/zinc/49/39/79/418493979.db2.gz FURBIJMTBNFXKY-CQSZACIVSA-N -1 0 318.398 1.983 50 30 DDEARM NC(=O)c1ccc(N=Cc2c([O-])c3ccccc3oc2=O)cc1 ZINC000102938595 696612103 /nfs/dbraw/zinc/61/21/03/696612103.db2.gz MDADXQSWOPLLNN-UKTHLTGXSA-N -1 0 308.293 1.883 50 30 DDEARM C=CC[C@@]1(C(=O)[O-])CCCN(C(=O)CCCN2CCCC2=O)C1 ZINC000091493421 193063842 /nfs/dbraw/zinc/06/38/42/193063842.db2.gz NGJYDBSQRLSKCJ-QGZVFWFLSA-N -1 0 322.405 1.659 50 30 DDEARM C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000237544544 296209478 /nfs/dbraw/zinc/20/94/78/296209478.db2.gz GCMHRXHWFPGSFG-BZNIZROVSA-N -1 0 302.330 1.649 50 30 DDEARM C/N=C1\S[C@@H](C(=O)Nc2ccc(C(=O)[O-])cc2)CC(=O)N1C ZINC000002728179 406696514 /nfs/dbraw/zinc/69/65/14/406696514.db2.gz ZNGUCXGGRXOANK-ZEIZSXSISA-N -1 0 321.358 1.273 50 30 DDEARM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1nc(C(C)C)nn1C ZINC000072294347 406879375 /nfs/dbraw/zinc/87/93/75/406879375.db2.gz OSZZOOZIZSAUKA-UHFFFAOYSA-N -1 0 319.390 1.919 50 30 DDEARM COc1cccc(C(C)=NN=C2NC(=O)[C@@H](CC(=O)[O-])S2)c1 ZINC000252633701 408807376 /nfs/dbraw/zinc/80/73/76/408807376.db2.gz WFUUDTJOKKEOMJ-LLVKDONJSA-N -1 0 321.358 1.482 50 30 DDEARM CCCCNC(=O)N=S(=O)([O-])c1ccc(C(=O)OC)o1 ZINC000002887118 520554152 /nfs/dbraw/zinc/55/41/52/520554152.db2.gz COJWKQVFHWXNOY-UHFFFAOYSA-N -1 0 304.324 1.059 50 30 DDEARM CCOC(=O)/C(=N\[O-])C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000048545014 352542340 /nfs/dbraw/zinc/54/23/40/352542340.db2.gz MKOXLSBVGKVWON-PTNGSMBKSA-N -1 0 311.290 1.288 50 30 DDEARM COCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccccc2C#N)C1 ZINC000091690326 193090908 /nfs/dbraw/zinc/09/09/08/193090908.db2.gz XKLJQTQZLJJTBL-KRWDZBQOSA-N -1 0 316.357 1.902 50 30 DDEARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(OCC#N)cc1 ZINC000018895643 182102629 /nfs/dbraw/zinc/10/26/29/182102629.db2.gz HBSDUBCHCFLRNG-UHFFFAOYSA-N -1 0 307.331 1.995 50 30 DDEARM C=C(C)COc1cccc(C(=O)N2CCOC[C@H]2CC(=O)[O-])c1 ZINC000055060807 183961330 /nfs/dbraw/zinc/96/13/30/183961330.db2.gz SOHCJNJSYYCCDF-CQSZACIVSA-N -1 0 319.357 1.957 50 30 DDEARM CS(=O)(=O)[N-]C(=O)c1nnn(-c2ccccc2)c1C1CC1 ZINC000071850157 184868223 /nfs/dbraw/zinc/86/82/23/184868223.db2.gz SOCRYWKHSOCHCA-UHFFFAOYSA-N -1 0 306.347 1.409 50 30 DDEARM COc1ccc(/C=N/N=C2/NC(=O)[C@H](CC(=O)[O-])S2)cc1 ZINC000001233509 406664971 /nfs/dbraw/zinc/66/49/71/406664971.db2.gz IXAFTOCVNVDRDI-UQDQQJHMSA-N -1 0 307.331 1.091 50 30 DDEARM C#CCOc1nc([N-]c2nc(C)cc(C)n2)nc(OCC#C)n1 ZINC000003147872 406714222 /nfs/dbraw/zinc/71/42/22/406714222.db2.gz JPPAMSQKPZFCLZ-UHFFFAOYSA-N -1 0 310.317 1.046 50 30 DDEARM Cc1n[n-]c(N/N=C/c2ccccc2Br)nc1=O ZINC000012341105 406841753 /nfs/dbraw/zinc/84/17/53/406841753.db2.gz FQDDEBMJHPPFJB-AWNIVKPZSA-N -1 0 308.139 1.682 50 30 DDEARM CN(C)c1ncccc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000195573253 407468913 /nfs/dbraw/zinc/46/89/13/407468913.db2.gz AFVHMFGTCZSQEF-UHFFFAOYSA-N -1 0 320.349 1.959 50 30 DDEARM N#Cc1cn(-c2cccc(OCc3cccnc3)c2)c(=O)[n-]c1=O ZINC000048279973 418468820 /nfs/dbraw/zinc/46/88/20/418468820.db2.gz ZKGWEZLHPGLSGM-UHFFFAOYSA-N -1 0 320.308 1.784 50 30 DDEARM CC(=O)[N-]S(=O)(=O)c1ccc(N=NN2CCOCC2)cc1 ZINC000252627868 222247530 /nfs/dbraw/zinc/24/75/30/222247530.db2.gz SDBNAWOKRQYNRZ-UHFFFAOYSA-N -1 0 312.351 1.683 50 30 DDEARM COc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1O ZINC000048520731 696213548 /nfs/dbraw/zinc/21/35/48/696213548.db2.gz MJFBBCSMLFBFJO-UYWPIULCSA-N -1 0 302.282 1.629 50 30 DDEARM Cc1n[nH]cc1S(=O)(=O)[N-]c1cc(N(C)C)ccc1C#N ZINC000095417501 185359319 /nfs/dbraw/zinc/35/93/19/185359319.db2.gz VSULLPPAHORHND-UHFFFAOYSA-N -1 0 305.363 1.457 50 30 DDEARM O=C([O-])C[C@@H]1S/C(=N/N=C2\CCCc3ccccc32)NC1=O ZINC000004520950 181119313 /nfs/dbraw/zinc/11/93/13/181119313.db2.gz TZKUZSJGLPOSLB-OOIIIRTPSA-N -1 0 317.370 1.789 50 30 DDEARM O=C1[N-]C(=O)C(=NNc2ccc(SC(F)F)cc2)C(=O)N1 ZINC000006414966 181338892 /nfs/dbraw/zinc/33/88/92/181338892.db2.gz XDEBEPFCNUPUOP-UHFFFAOYSA-N -1 0 314.273 1.135 50 30 DDEARM Cn1cc(S(=O)(=O)[N-]C(=O)c2cccc3c2ccn3C)cn1 ZINC000077940635 407015968 /nfs/dbraw/zinc/01/59/68/407015968.db2.gz WPBDNDGALJSKTR-UHFFFAOYSA-N -1 0 318.358 1.605 50 30 DDEARM CCn1cc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)cn1 ZINC000089309917 407130529 /nfs/dbraw/zinc/13/05/29/407130529.db2.gz VIHWOSQSNQDFNP-UHFFFAOYSA-N -1 0 319.390 1.641 50 30 DDEARM N#Cc1cccc([C@H]2CN(c3cnc(C(=O)[O-])cn3)CCO2)c1 ZINC000263410158 163963567 /nfs/dbraw/zinc/96/35/67/163963567.db2.gz MBHNSPFYZOALMT-CQSZACIVSA-N -1 0 310.313 1.624 50 30 DDEARM CSc1ccsc1C(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000078657749 191906436 /nfs/dbraw/zinc/90/64/36/191906436.db2.gz LPLVFQQYPMYIOR-UHFFFAOYSA-N -1 0 317.417 1.897 50 30 DDEARM O=C([O-])C[C@@H]1S/C(=N/N=C/c2c[nH]c3ccccc23)NC1=O ZINC000005650265 181267924 /nfs/dbraw/zinc/26/79/24/181267924.db2.gz SGQDTDYZEPGBGF-JRUYLCMPSA-N -1 0 316.342 1.564 50 30 DDEARM C=CCc1c(OCC(=O)[O-])ccc2nc3n(c(=O)c21)CCC3 ZINC000020761152 182246684 /nfs/dbraw/zinc/24/66/84/182246684.db2.gz ZHEBMWPJIVDPPT-UHFFFAOYSA-N -1 0 300.314 1.535 50 30 DDEARM O=C([O-])c1ccc(/C=N\NS(=O)(=O)c2ccccc2)cc1 ZINC000030826575 221452860 /nfs/dbraw/zinc/45/28/60/221452860.db2.gz ROALKSJNIQNBCJ-GDNBJRDFSA-N -1 0 304.327 1.697 50 30 DDEARM CCOc1ccc(/C=N/N=C2/NC(=O)[C@H](CC(=O)[O-])S2)cc1 ZINC000002207809 406685000 /nfs/dbraw/zinc/68/50/00/406685000.db2.gz WVIICWILKCVGKW-UXYFDLPDSA-N -1 0 321.358 1.482 50 30 DDEARM O=c1[nH][n-]c(C(F)(F)F)c1N=Nc1cc(-c2ccccc2)n[nH]1 ZINC000013408043 406861077 /nfs/dbraw/zinc/86/10/77/406861077.db2.gz YMGCKEZNCUQGQH-UHFFFAOYSA-N -1 0 322.250 1.893 50 30 DDEARM CC[C@@H](C)n1ncc2c1nc(C)cc2C([O-])=C(C#N)C(=O)NC ZINC000100684208 418493096 /nfs/dbraw/zinc/49/30/96/418493096.db2.gz NXBNKPUYVJPCMU-PWSUYJOCSA-N -1 0 313.361 1.779 50 30 DDEARM CC(C)NC(=O)C(C#N)=C([O-])c1cnn(-c2ccc(F)cc2)n1 ZINC000101215787 418493825 /nfs/dbraw/zinc/49/38/25/418493825.db2.gz FCNYXAAMACBYDU-GFCCVEGCSA-N -1 0 315.308 1.253 50 30 DDEARM Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)COCC1CC1 ZINC000114988517 418501631 /nfs/dbraw/zinc/50/16/31/418501631.db2.gz ADBHNDDRGILZMQ-UHFFFAOYSA-N -1 0 308.359 1.098 50 30 DDEARM C[C@@H](Oc1cccc(C#N)c1)C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000237503376 186298486 /nfs/dbraw/zinc/29/84/86/186298486.db2.gz GLQNFWSWVGQQAO-RISCZKNCSA-N -1 0 302.330 1.791 50 30 DDEARM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(N2CCCC2)nc1 ZINC000102293966 353925417 /nfs/dbraw/zinc/92/54/17/353925417.db2.gz RKAMLSKSQMSBHO-CQSZACIVSA-N -1 0 312.373 1.627 50 30 DDEARM CCOc1ccc(/C=N/Nc2nc(=O)c(C)n[n-]2)cc1OC ZINC000003945076 181058021 /nfs/dbraw/zinc/05/80/21/181058021.db2.gz OJVNCXNMYRZPQK-OVCLIPMQSA-N -1 0 303.322 1.327 50 30 DDEARM O=C(C[C@@H]1CCCO1)[N-]S(=O)(=O)N1CCc2ccccc21 ZINC000078556628 191884820 /nfs/dbraw/zinc/88/48/20/191884820.db2.gz XUZHENGKTLTTNR-LBPRGKRZSA-N -1 0 310.375 1.820 50 30 DDEARM N#Cc1ccccc1S(=O)(=O)[N-]c1ccccc1C(N)=O ZINC000006507443 181347128 /nfs/dbraw/zinc/34/71/28/181347128.db2.gz UNAOMJYMJZKTRE-UHFFFAOYSA-N -1 0 301.327 1.458 50 30 DDEARM Cc1ccc(C(=O)N[C@@H](C(=O)[N-]S(C)(=O)=O)C(C)C)cc1 ZINC000048479047 183661050 /nfs/dbraw/zinc/66/10/50/183661050.db2.gz WLYXFUFHQARKCS-GFCCVEGCSA-N -1 0 312.391 1.666 50 30 DDEARM N#CCOc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCOCC3)c2c1 ZINC000036365562 406979746 /nfs/dbraw/zinc/97/97/46/406979746.db2.gz NGQSFUFBPQMACN-HNNXBMFYSA-N -1 0 315.329 1.528 50 30 DDEARM N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)c1cscn1 ZINC000170621153 407456914 /nfs/dbraw/zinc/45/69/14/407456914.db2.gz JTADAJQZWRPMFR-UHFFFAOYSA-N -1 0 307.356 1.275 50 30 DDEARM N#Cc1c2c(sc1NC=C1C(=O)[N-]C(=O)NC1=O)CCCC2 ZINC000101450041 418494152 /nfs/dbraw/zinc/49/41/52/418494152.db2.gz DFQYLUICPUQITH-OMCISZLKSA-N -1 0 316.342 1.183 50 30 DDEARM C#CCCC1(CCC(=O)N[C@@]2(CC(=O)[O-])CCCOC2)N=N1 ZINC000952876472 775624922 /nfs/dbraw/zinc/62/49/22/775624922.db2.gz RTBYQVMFTJUMKW-CQSZACIVSA-N -1 0 307.350 1.482 50 30 DDEARM N#Cc1ccccc1S(=O)(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000003327966 181006290 /nfs/dbraw/zinc/00/62/90/181006290.db2.gz UYGSOUWARRAXTM-UHFFFAOYSA-N -1 0 316.338 1.735 50 30 DDEARM CN(C)c1ccc(/C=N/N=C2/NC(=O)[C@@H](CC(=O)[O-])S2)cc1 ZINC000005585837 181260435 /nfs/dbraw/zinc/26/04/35/181260435.db2.gz VSTLAGXYQPZCBE-OXFWXOROSA-N -1 0 320.374 1.149 50 30 DDEARM C=CCN1C(=O)[N-]C(=O)/C(=C\c2ccc(OC)c(O)c2)C1=O ZINC000015659238 182010327 /nfs/dbraw/zinc/01/03/27/182010327.db2.gz VQIPTABFHQNXIB-JXMROGBWSA-N -1 0 302.286 1.049 50 30 DDEARM C=CCC1C(=O)N=C(SCC(=O)N(C)CCCC)N=C1[O-] ZINC000013957183 406868601 /nfs/dbraw/zinc/86/86/01/406868601.db2.gz LGSHOGSZXIYHAC-UHFFFAOYSA-N -1 0 311.407 1.555 50 30 DDEARM C#CCOc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1Br ZINC000012342720 406843137 /nfs/dbraw/zinc/84/31/37/406843137.db2.gz FNTWHQRIFPSWBY-JXMROGBWSA-N -1 0 321.130 1.641 50 30 DDEARM Cc1ccoc1C([O-])=C(C#N)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000102734747 407326252 /nfs/dbraw/zinc/32/62/52/407326252.db2.gz KILNJTQYNPSEOD-NSHDSACASA-N -1 0 316.273 1.675 50 30 DDEARM COC(=O)[C@H]1C([O-])=C(C(=O)C=Cc2ccco2)C(=O)CC1(C)C ZINC000100150829 407307248 /nfs/dbraw/zinc/30/72/48/407307248.db2.gz OZNNWTQYFYFKJQ-HYLRALAJSA-N -1 0 318.325 1.835 50 30 DDEARM C=CCN(C)C(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000154143522 407980917 /nfs/dbraw/zinc/98/09/17/407980917.db2.gz UKVCDQHMZVKYEE-UHFFFAOYSA-N -1 0 303.387 1.720 50 30 DDEARM CSCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000048461667 418471653 /nfs/dbraw/zinc/47/16/53/418471653.db2.gz SCTUELDRXCTCLT-UHFFFAOYSA-N -1 0 303.361 1.466 50 30 DDEARM CNC(=O)C(C#N)=C([O-])c1csc(-c2ccccc2OC)n1 ZINC000104055492 418497174 /nfs/dbraw/zinc/49/71/74/418497174.db2.gz IEKRUQHRSKYZKX-SNVBAGLBSA-N -1 0 315.354 1.887 50 30 DDEARM C=CCN(CC(=O)[O-])S(=O)(=O)c1ccccc1C(F)(F)F ZINC000006158415 277843044 /nfs/dbraw/zinc/84/30/44/277843044.db2.gz HPEIAFFUKVUJOK-UHFFFAOYSA-N -1 0 323.292 1.967 50 30 DDEARM C#CCCC1(CCC(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)N=N1 ZINC000952876153 775623153 /nfs/dbraw/zinc/62/31/53/775623153.db2.gz COKPRVQFRXTBEW-WCQYABFASA-N -1 0 307.350 1.338 50 30 DDEARM C#CCCC1(CCC(=O)N[C@H](C(=O)[O-])c2ccn(C)n2)N=N1 ZINC000952876285 775623474 /nfs/dbraw/zinc/62/34/74/775623474.db2.gz KNNFCVXDNWMFDH-LBPRGKRZSA-N -1 0 303.322 1.018 50 30 DDEARM C=CCN1C[C@@]2(C(=O)[O-])CN(C(=O)CC3CCCC3)C[C@H]2C1=O ZINC000072409830 191153613 /nfs/dbraw/zinc/15/36/13/191153613.db2.gz GWZWEOGFTFMDHE-SUMWQHHRSA-N -1 0 320.389 1.124 50 30 DDEARM C[C@@H]1C[C@@H]1c1ccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)o1 ZINC000328586255 222874271 /nfs/dbraw/zinc/87/42/71/222874271.db2.gz FCYZFXKQBKMSBY-BDAKNGLRSA-N -1 0 314.363 1.439 50 30 DDEARM O=C([N-][C@@H]1CCCC(=O)N1)C(F)(F)C(F)(F)C(F)(F)F ZINC000005480478 181248653 /nfs/dbraw/zinc/24/86/53/181248653.db2.gz KBKTUYPHCCCKCF-SCSAIBSYSA-N -1 0 310.169 1.562 50 30 DDEARM CCOc1cc(C#N)ccc1O[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000596009380 356745357 /nfs/dbraw/zinc/74/53/57/356745357.db2.gz PVVKMFJOBOPPBV-GFCCVEGCSA-N -1 0 304.302 1.021 50 30 DDEARM N#Cc1c(NC(=O)COCC(=O)[O-])sc2c1CCCCC2 ZINC000017031713 182070049 /nfs/dbraw/zinc/07/00/49/182070049.db2.gz JBSGBYMFRDNEHM-UHFFFAOYSA-N -1 0 308.359 1.928 50 30 DDEARM COc1cc(C(=O)[O-])ccc1OCC(=O)NC1(C#N)CCCC1 ZINC000013420101 406860623 /nfs/dbraw/zinc/86/06/23/406860623.db2.gz IPWOYMXWIMJEPC-UHFFFAOYSA-N -1 0 318.329 1.725 50 30 DDEARM CCOC([O-])=NC(=O)C(=NNc1ccc(OC)cc1)C(C)=O ZINC000100219650 407307604 /nfs/dbraw/zinc/30/76/04/407307604.db2.gz WNWZCGJBOQFRLD-ATVHPVEESA-N -1 0 307.306 1.325 50 30 DDEARM C=CCn1c2cc(OC)c(OC)cc2c([O-])c(C(=O)NC)c1=O ZINC000100643312 407308173 /nfs/dbraw/zinc/30/81/73/407308173.db2.gz ZXOHDFFOKFCYHC-UHFFFAOYSA-N -1 0 318.329 1.270 50 30 DDEARM Cc1cc(C)n(/N=C/c2cc([N+](=O)[O-])ccc2[O-])c(=O)c1C#N ZINC000036107993 524500165 /nfs/dbraw/zinc/50/01/65/524500165.db2.gz DPGFSXLWCNPJMP-CAOOACKPSA-N -1 0 312.285 1.833 50 30 DDEARM COc1cc(C=NNc2nnc(C)c(=O)[n-]2)cc(OC)c1OC ZINC000254450914 698407478 /nfs/dbraw/zinc/40/74/78/698407478.db2.gz POXBVGIMUYVRRO-UHFFFAOYSA-N -1 0 319.321 1.357 50 30 DDEARM O=C([O-])C(F)(F)N1C[C@H](C(F)(F)F)O[C@@H](C(F)(F)F)C1 ZINC000100698855 304027307 /nfs/dbraw/zinc/02/73/07/304027307.db2.gz UAIHDPZPOAHNGV-QWWZWVQMSA-N -1 0 317.132 1.858 50 30 DDEARM CCCN(CCC)C(=O)CSc1nc(CC)c(C#N)c(=O)[n-]1 ZINC000005238910 181220601 /nfs/dbraw/zinc/22/06/01/181220601.db2.gz DBAAQJOJADCBJY-UHFFFAOYSA-N -1 0 322.434 1.945 50 30 DDEARM Cn1cc(C([O-])=C(C#N)c2nnc(-c3ccccc3)n2C)cn1 ZINC000058265796 184096565 /nfs/dbraw/zinc/09/65/65/184096565.db2.gz VEDKUGKEJAZCDI-ZDUSSCGKSA-N -1 0 306.329 1.706 50 30 DDEARM CC(=O)C1=C(O)C(=O)N(CCC(=O)[O-])[C@H]1c1cccc(F)c1 ZINC000000074404 406618408 /nfs/dbraw/zinc/61/84/08/406618408.db2.gz NGTYTXCQYVNIKK-ZDUSSCGKSA-N -1 0 307.277 1.585 50 30 DDEARM O=C([N-]S(=O)(=O)c1cccnc1)c1ccc2c(c1)COC2 ZINC000050204886 407128788 /nfs/dbraw/zinc/12/87/88/407128788.db2.gz ZTQPFNFNYTVIBP-UHFFFAOYSA-N -1 0 304.327 1.805 50 30 DDEARM N#Cc1cccc(N2CCN(Cc3ncccc3C(=O)[O-])CC2)c1 ZINC000065507810 407244302 /nfs/dbraw/zinc/24/43/02/407244302.db2.gz RLLWDUSJMXVYRH-UHFFFAOYSA-N -1 0 322.368 1.974 50 30 DDEARM COCc1ccc(C(=O)[N-]S(=O)(=O)c2cccnc2)cc1 ZINC000042321679 418421770 /nfs/dbraw/zinc/42/17/70/418421770.db2.gz QXBZSBATUPOWCG-UHFFFAOYSA-N -1 0 306.343 1.922 50 30 DDEARM COc1cc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)ccc1C ZINC000048647994 418473794 /nfs/dbraw/zinc/47/37/94/418473794.db2.gz YSEZBYFOJHJBOB-UHFFFAOYSA-N -1 0 309.347 1.431 50 30 DDEARM COc1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1OC ZINC000103502639 418496256 /nfs/dbraw/zinc/49/62/56/418496256.db2.gz RKLFCCTUUSOMMK-GFCCVEGCSA-N -1 0 302.330 1.649 50 30 DDEARM N#CC1(C(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)CCCC1 ZINC000263183148 303140492 /nfs/dbraw/zinc/14/04/92/303140492.db2.gz ZSGWYVOOZFSFSZ-GFCCVEGCSA-N -1 0 304.268 1.936 50 30 DDEARM COC(=O)c1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1 ZINC000003333884 181007799 /nfs/dbraw/zinc/00/77/99/181007799.db2.gz PCIJAHIZZCTVCY-PXTSUWAFSA-N -1 0 314.293 1.701 50 30 DDEARM CC1=CC(=O)C(=C([O-])C=Cc2ccc3c(c2)OCO3)C(=O)O1 ZINC000019309281 182114479 /nfs/dbraw/zinc/11/44/79/182114479.db2.gz KSCGIEFVSSOWMY-OMDKTOEGSA-N -1 0 300.266 1.644 50 30 DDEARM C=CCc1c(OCC(=O)[O-])ccc2ncn(CC=C)c(=O)c21 ZINC000020760824 182246710 /nfs/dbraw/zinc/24/67/10/182246710.db2.gz FRYFIFBPEBVVHU-UHFFFAOYSA-N -1 0 300.314 1.774 50 30 DDEARM C[S@@](=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cccnc2)cc1 ZINC000042321918 183254214 /nfs/dbraw/zinc/25/42/14/183254214.db2.gz QQWWNCSPIGPUKV-FQEVSTJZSA-N -1 0 324.383 1.513 50 30 DDEARM O=C([O-])C[C@H]1SC(/N=C/c2ccc(Cl)cc2)=NNC1=O ZINC000000031933 406614466 /nfs/dbraw/zinc/61/44/66/406614466.db2.gz RDVQFSSCCOYZOC-ISKYKNHCSA-N -1 0 311.750 1.736 50 30 DDEARM O=C([O-])Cc1sc(NN=Cc2ccc(Cl)cc2)nc1O ZINC000006975125 406745084 /nfs/dbraw/zinc/74/50/84/406745084.db2.gz QXQDXPYEAMYLBE-RGEMTFFCSA-N -1 0 311.750 1.736 50 30 DDEARM O=C1[N-]C(=O)C(=NNc2cccc(Br)c2)C(=O)N1 ZINC000006974409 406745385 /nfs/dbraw/zinc/74/53/85/406745385.db2.gz KOGCWKLOIKQIKS-UHFFFAOYSA-N -1 0 311.095 1.423 50 30 DDEARM N#Cc1cc2c(nc1SCC(=O)NCC(=O)[O-])CCCCC2 ZINC000008382663 406785135 /nfs/dbraw/zinc/78/51/35/406785135.db2.gz JALRQYDBNMXVOA-UHFFFAOYSA-N -1 0 319.386 1.515 50 30 DDEARM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C#N)[nH]2)cc1 ZINC000151839064 407510632 /nfs/dbraw/zinc/51/06/32/407510632.db2.gz PJAFDWFSNVPSIU-UHFFFAOYSA-N -1 0 317.326 1.208 50 30 DDEARM O=C(N=c1cn[n-]s1)N1CCC(N2CCCCC2=O)CC1 ZINC000330240611 410597376 /nfs/dbraw/zinc/59/73/76/410597376.db2.gz FIXSGUJXZCGYKI-UHFFFAOYSA-N -1 0 309.395 1.561 50 30 DDEARM COc1ccc(S(=O)(=O)[N-]C(=O)CSCC#N)cc1C ZINC000049020778 418476082 /nfs/dbraw/zinc/47/60/82/418476082.db2.gz IQRGUWWJAUJYEW-UHFFFAOYSA-N -1 0 314.388 1.906 50 30 DDEARM CNC(=O)C(C#N)=C([O-])c1cnc(Cc2ccc(F)cc2)s1 ZINC000100730470 418493062 /nfs/dbraw/zinc/49/30/62/418493062.db2.gz FQBLZXSLFWTARS-LLVKDONJSA-N -1 0 317.345 1.941 50 30 DDEARM Cc1cccc(C([O-])=C(C#N)C(=O)NC[C@@H]2CCCO2)c1C ZINC000103502312 418496370 /nfs/dbraw/zinc/49/63/70/418496370.db2.gz JHEUDYLHWXMPRO-DZGCQCFKSA-N -1 0 300.358 1.921 50 30 DDEARM NC(=S)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1[O-] ZINC000003099413 303353225 /nfs/dbraw/zinc/35/32/25/303353225.db2.gz SCEPZNMDYSCHJG-QDEBKDIKSA-N -1 0 319.140 1.230 50 30 DDEARM Cc1ccc(-c2nc(SCC(N)=O)[n-]c(=O)c2C#N)cc1 ZINC000005238268 181220771 /nfs/dbraw/zinc/22/07/71/181220771.db2.gz XCBLYIDRVBSPFF-UHFFFAOYSA-N -1 0 300.343 1.194 50 30 DDEARM N#Cc1ccc(OCC(=O)N2NC=C[C@]2(O)C(F)(F)F)cc1 ZINC000005505060 181250691 /nfs/dbraw/zinc/25/06/91/181250691.db2.gz CEGIMUOMVSMCGN-LBPRGKRZSA-N -1 0 313.235 1.406 50 30 DDEARM COCC1(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2C)CCC1 ZINC000253416680 202876064 /nfs/dbraw/zinc/87/60/64/202876064.db2.gz GPECKVOHQXVBBV-UHFFFAOYSA-N -1 0 322.386 1.488 50 30 DDEARM CC(C)S(=O)(=O)[N-]C(=O)CCN1C(=O)c2ccccc2C1=O ZINC000058289805 184100381 /nfs/dbraw/zinc/10/03/81/184100381.db2.gz GEZPIDRCKLIJOS-UHFFFAOYSA-N -1 0 324.358 1.367 50 30 DDEARM CS(=O)(=O)[N-]C(=O)c1nnn(-c2cccc(F)c2)c1C1CC1 ZINC000071850159 184868411 /nfs/dbraw/zinc/86/84/11/184868411.db2.gz QBCFZCRLFZZIQS-UHFFFAOYSA-N -1 0 324.337 1.548 50 30 DDEARM C=CCN1C(=O)[N-]C(=O)C(=C(CC)Nc2ccccc2N)C1=O ZINC000009089646 406803900 /nfs/dbraw/zinc/80/39/00/406803900.db2.gz TWRNFQHPTWBDNB-ACCUITESSA-N -1 0 314.345 1.609 50 30 DDEARM CNC(=O)C(C#N)=C([O-])c1ccc(-n2nc(C)cc2C)c(F)c1 ZINC000102759098 407326602 /nfs/dbraw/zinc/32/66/02/407326602.db2.gz YGBRMFGSSKYVPO-GFCCVEGCSA-N -1 0 314.320 1.697 50 30 DDEARM Cc1[n-]oc(=O)c1N=Nc1cc(C(N)=O)c(Cl)cc1Cl ZINC000252605377 408805792 /nfs/dbraw/zinc/80/57/92/408805792.db2.gz GJZVSZVZOCEQKP-UHFFFAOYSA-N -1 0 315.116 1.793 50 30 DDEARM N=C(NN=Cc1cc(Cl)cc(Cl)c1[O-])c1nonc1N ZINC000252642714 408806263 /nfs/dbraw/zinc/80/62/63/408806263.db2.gz ZORRAEKZTSFBHB-UHFFFAOYSA-N -1 0 315.120 1.404 50 30 DDEARM CCO[N-]C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000134741408 196416708 /nfs/dbraw/zinc/41/67/08/196416708.db2.gz FJLUEADWOFGUSX-UHFFFAOYSA-N -1 0 301.224 1.583 50 30 DDEARM CC(C)(O)C#Cc1ccc(C(=O)N2CCC[C@H]2C(=O)[O-])s1 ZINC000004196124 278635393 /nfs/dbraw/zinc/63/53/93/278635393.db2.gz UQOFZBLKJFNIOI-NSHDSACASA-N -1 0 307.371 1.560 50 30 DDEARM CN1CCCc2ccc(S(=O)(=O)[N-]c3n[nH]cc3C#N)cc21 ZINC000091052625 484012150 /nfs/dbraw/zinc/01/21/50/484012150.db2.gz XVQHYEAIZPIESW-UHFFFAOYSA-N -1 0 317.374 1.465 50 30 DDEARM COc1cc(C([O-])=C[N+](=O)[O-])cc(Br)c1OC ZINC000100023737 484021716 /nfs/dbraw/zinc/02/17/16/484021716.db2.gz GGJYJKRSAPAEJP-UHFFFAOYSA-N -1 0 304.096 1.926 50 30 DDEARM COC(=O)c1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1 ZINC000003333875 181007757 /nfs/dbraw/zinc/00/77/57/181007757.db2.gz PCIJAHIZZCTVCY-SBJJXXPASA-N -1 0 314.293 1.701 50 30 DDEARM C/C(=N\N=C1\NC(=O)[C@@H](CC(=O)[O-])S1)c1ccc(F)cc1 ZINC000004709230 181140676 /nfs/dbraw/zinc/14/06/76/181140676.db2.gz WOFDVIFOEBBBDH-JYMRLUDQSA-N -1 0 309.322 1.612 50 30 DDEARM C=CCN1C(=O)[N-]C(=O)C(=C(C)NCc2ccc(F)cc2)C1=O ZINC000005816536 181286403 /nfs/dbraw/zinc/28/64/03/181286403.db2.gz GWZOXYARFQJLGV-JLHYYAGUSA-N -1 0 317.320 1.454 50 30 DDEARM O=C([O-])CCNC(=O)c1ccc(C#CC2(O)CCCCC2)cc1 ZINC000000477067 304057002 /nfs/dbraw/zinc/05/70/02/304057002.db2.gz VJXAGHYAJHJXBD-UHFFFAOYSA-N -1 0 315.369 1.938 50 30 DDEARM N#Cc1nc(NC(=O)CNc2ccccc2Cl)[n-]c1C#N ZINC000096456287 193655908 /nfs/dbraw/zinc/65/59/08/193655908.db2.gz TUIPHQHRVMERPJ-UHFFFAOYSA-N -1 0 300.709 1.857 50 30 DDEARM N#Cc1ccc(S(=O)(=O)[N-]c2nnc[nH]2)cc1C(F)(F)F ZINC000096459650 193657040 /nfs/dbraw/zinc/65/70/40/193657040.db2.gz FEKAPNAFDWUADF-UHFFFAOYSA-N -1 0 317.252 1.496 50 30 DDEARM Cc1nnc(S[C@@H](C)C(=O)Nc2ccccc2C#N)[n-]c1=O ZINC000024754721 182389853 /nfs/dbraw/zinc/38/98/53/182389853.db2.gz TVYKTOYJRFVJDX-VIFPVBQESA-N -1 0 315.358 1.877 50 30 DDEARM C=CCN1C(=O)[N-]C(=O)/C(=C\c2ccc3c(c2)OCO3)C1=O ZINC000000097408 406620539 /nfs/dbraw/zinc/62/05/39/406620539.db2.gz KWNMPOKRGCULJL-UXBLZVDNSA-N -1 0 300.270 1.063 50 30 DDEARM CC(C)(O)C#Cc1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000426547706 419505261 /nfs/dbraw/zinc/50/52/61/419505261.db2.gz XAIFCWDXUUDVIJ-HNNXBMFYSA-N -1 0 315.369 1.888 50 30 DDEARM C=CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)[O-] ZINC000072328106 191122737 /nfs/dbraw/zinc/12/27/37/191122737.db2.gz DZZFWGBRXCYPHY-UHFFFAOYSA-N -1 0 322.346 1.164 50 30 DDEARM COCCOCCC(=O)[N-]S(=O)(=O)c1cccc(OC)c1 ZINC000058188122 184085825 /nfs/dbraw/zinc/08/58/25/184085825.db2.gz FFAYBCXKPJVIDY-UHFFFAOYSA-N -1 0 317.363 1.394 50 30 DDEARM N#Cc1ccc(OCC(=O)[N-]S(=O)(=O)CC2CCC2)cc1 ZINC000165004397 408806253 /nfs/dbraw/zinc/80/62/53/408806253.db2.gz OQRXXAUEMMNBTR-UHFFFAOYSA-N -1 0 308.359 1.183 50 30 DDEARM N#Cc1c[nH]nc1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000390833326 325783101 /nfs/dbraw/zinc/78/31/01/325783101.db2.gz GDTQRACVXMNBRS-UHFFFAOYSA-N -1 0 300.702 1.875 50 30 DDEARM C=CCn1c(=O)c(C(=O)Nc2cnccn2)c([O-])c2ccccc21 ZINC000148838376 186046213 /nfs/dbraw/zinc/04/62/13/186046213.db2.gz QLQDRWYZGWQIGX-UHFFFAOYSA-N -1 0 322.324 1.935 50 30 DDEARM CCc1nc(C(=O)[N-]S(=O)(=O)c2cccc(F)c2C#N)co1 ZINC000159992901 354236708 /nfs/dbraw/zinc/23/67/08/354236708.db2.gz JGIXRJPCBNHHNA-UHFFFAOYSA-N -1 0 323.305 1.366 50 30 DDEARM COc1cccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c1OC ZINC000023324638 182357289 /nfs/dbraw/zinc/35/72/89/182357289.db2.gz DFWZOLGLAVMLAW-MVGZEHJDSA-N -1 0 316.309 1.932 50 30 DDEARM CCc1nc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)no1 ZINC000097140414 407282363 /nfs/dbraw/zinc/28/23/63/407282363.db2.gz PDJMOZKBOZSDOT-UHFFFAOYSA-N -1 0 312.738 1.958 50 30 DDEARM CC(C)CNC(=O)C(C#N)=C([O-])c1ccc(-n2ccnc2)cc1 ZINC000101966187 418494784 /nfs/dbraw/zinc/49/47/84/418494784.db2.gz QEOQZTXMHZDPTC-OAHLLOKOSA-N -1 0 310.357 1.967 50 30 DDEARM C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000408513482 418806449 /nfs/dbraw/zinc/80/64/49/418806449.db2.gz CRGYNWRQUVNDBR-FZMZJTMJSA-N -1 0 318.329 1.028 50 30 DDEARM COC(=O)CC1CCN(C(=O)c2cc(C#N)ccc2[O-])CC1 ZINC000585089380 771939364 /nfs/dbraw/zinc/93/93/64/771939364.db2.gz ILEAIJHXVUMAQH-UHFFFAOYSA-N -1 0 302.330 1.679 50 30 DDEARM C#CCCC1(CCC(=O)N2C[C@@H](OC)C[C@@]2(C)C(=O)[O-])N=N1 ZINC000952876465 775624821 /nfs/dbraw/zinc/62/48/21/775624821.db2.gz RPBUCNSBJCAOAH-FZMZJTMJSA-N -1 0 307.350 1.433 50 30 DDEARM CCN(CC)S(=O)(=O)[N-]C(=O)c1cc(OC)ccc1OC ZINC000078984770 185140322 /nfs/dbraw/zinc/14/03/22/185140322.db2.gz SEXFLBHWRXDVKM-UHFFFAOYSA-N -1 0 316.379 1.595 50 30 DDEARM CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2cccnc2)c1 ZINC000095463440 185371358 /nfs/dbraw/zinc/37/13/58/185371358.db2.gz NGSLWBWRRYZPET-UHFFFAOYSA-N -1 0 302.359 1.820 50 30 DDEARM N#CC(C(=O)NC1CCCC1)=C([O-])c1cccc(-c2nc[nH]n2)c1 ZINC000225470133 407586596 /nfs/dbraw/zinc/58/65/96/407586596.db2.gz DDHGEPUPVKYJGZ-CQSZACIVSA-N -1 0 323.356 1.853 50 30 DDEARM NC1=NN(c2ccccc2)C(=O)C1=N[N-]c1ccccc1[N+](=O)[O-] ZINC000252635540 408807033 /nfs/dbraw/zinc/80/70/33/408807033.db2.gz WYBLRVVUNXGTBQ-UHFFFAOYSA-N -1 0 324.300 1.682 50 30 DDEARM C=CCn1cc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])nn1 ZINC000647730641 423018004 /nfs/dbraw/zinc/01/80/04/423018004.db2.gz DISXKLDMYMRYNN-RTXFEEFZSA-N -1 0 304.350 1.322 50 30 DDEARM CC(C)NC(=O)C(C#N)=C([O-])c1cnn(-c2ccc(F)cc2)n1 ZINC000101215784 418493684 /nfs/dbraw/zinc/49/36/84/418493684.db2.gz FCNYXAAMACBYDU-LBPRGKRZSA-N -1 0 315.308 1.253 50 30 DDEARM CC(C)CNC(=O)C(C#N)=C([O-])c1cccc(-n2cccn2)c1 ZINC000101167565 418493909 /nfs/dbraw/zinc/49/39/09/418493909.db2.gz WCTMSZXANYKMGL-OAHLLOKOSA-N -1 0 310.357 1.967 50 30 DDEARM CC(C)(O)C#Cc1ccc(CN2CCO[C@@H](C(=O)[O-])C2)s1 ZINC000828488894 759652208 /nfs/dbraw/zinc/65/22/08/759652208.db2.gz FLTRYWOTSRWGPP-CYBMUJFWSA-N -1 0 309.387 1.156 50 30 DDEARM C#CCOc1ccc(/C=C2\NC(=O)[N-]C2=O)cc1Br ZINC000002988715 180974698 /nfs/dbraw/zinc/97/46/98/180974698.db2.gz FNTWHQRIFPSWBY-YFHOEESVSA-N -1 0 321.130 1.641 50 30 DDEARM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cn(C)cn1 ZINC000096427080 193636370 /nfs/dbraw/zinc/63/63/70/193636370.db2.gz JXRSCNGUEPEPML-UHFFFAOYSA-N -1 0 319.390 1.914 50 30 DDEARM Cc1ccc(S(=O)([O-])=NC(=O)NCc2cccnc2)cc1 ZINC000000499479 406654436 /nfs/dbraw/zinc/65/44/36/406654436.db2.gz QMROGBLGCHCUBA-UHFFFAOYSA-N -1 0 305.359 1.783 50 30 DDEARM N#Cc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1 ZINC000001601042 406672993 /nfs/dbraw/zinc/67/29/93/406672993.db2.gz WKPXJLWHMPKRDX-BJMVGYQFSA-N -1 0 304.352 1.844 50 30 DDEARM CCOC(=O)C(C#N)=N[N-]c1c(C#N)csc1C(=O)OC ZINC000003083075 406710317 /nfs/dbraw/zinc/71/03/17/406710317.db2.gz UWMDKSODVKNPTG-OVCLIPMQSA-N -1 0 306.303 1.261 50 30 DDEARM C=CCNC(=O)CCc1nnc(-c2ccc(F)c(F)c2)[n-]c1=O ZINC000034768371 406965910 /nfs/dbraw/zinc/96/59/10/406965910.db2.gz BTBJXYVEXAPWJJ-UHFFFAOYSA-N -1 0 320.299 1.757 50 30 DDEARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000096479920 407270708 /nfs/dbraw/zinc/27/07/08/407270708.db2.gz VXXVQUSIAAMAMG-NWDGAFQWSA-N -1 0 311.259 1.894 50 30 DDEARM CC(=O)Nc1ccc(C=Nn2c(=O)c(C)n[n-]c2=S)cc1 ZINC000254293031 407463617 /nfs/dbraw/zinc/46/36/17/407463617.db2.gz XLWYCMUOLQFQAF-UHFFFAOYSA-N -1 0 303.347 1.076 50 30 DDEARM CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2COCCO2)cc1 ZINC000048452936 418471977 /nfs/dbraw/zinc/47/19/77/418471977.db2.gz QBEZDTHTPUPMMU-GFCCVEGCSA-N -1 0 315.347 1.146 50 30 DDEARM CCc1nc(CC(=O)[N-]S(=O)(=O)c2cccnc2)cs1 ZINC000049004136 418475609 /nfs/dbraw/zinc/47/56/09/418475609.db2.gz LNRPKQDVHSUOPE-UHFFFAOYSA-N -1 0 311.388 1.988 50 30 DDEARM Cc1cc(C)n(/N=C\c2cc([N+](=O)[O-])ccc2[O-])c(=O)c1C#N ZINC000036024669 301236077 /nfs/dbraw/zinc/23/60/77/301236077.db2.gz DPGFSXLWCNPJMP-IUXPMGMMSA-N -1 0 312.285 1.833 50 30 DDEARM C=C(C)COc1ccccc1C(=O)NCCCc1nnn[n-]1 ZINC000055282123 518621233 /nfs/dbraw/zinc/62/12/33/518621233.db2.gz AWVCPUGIGHKYHG-UHFFFAOYSA-N -1 0 301.350 1.517 50 30 DDEARM C=CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccn(CC)c(=O)c2)C1 ZINC000091665374 696590679 /nfs/dbraw/zinc/59/06/79/696590679.db2.gz VTXJJYBOXIWUMW-QGZVFWFLSA-N -1 0 318.373 1.751 50 30 DDEARM Cn1ccnc1C([O-])=C(C#N)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153320363 354198407 /nfs/dbraw/zinc/19/84/07/354198407.db2.gz ZMYOBPPBYSTIFJ-LBPRGKRZSA-N -1 0 312.285 1.463 50 30 DDEARM CCOCC(=O)[N-]S(=O)(=O)c1cccc(C(=O)OC)c1 ZINC000058188615 184085875 /nfs/dbraw/zinc/08/58/75/184085875.db2.gz HMBPFAGKXPHUEB-UHFFFAOYSA-N -1 0 301.320 1.155 50 30 DDEARM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2C)c(=O)[nH]1 ZINC000062674039 184247012 /nfs/dbraw/zinc/24/70/12/184247012.db2.gz TUTSMYZZPGIKIB-UHFFFAOYSA-N -1 0 306.343 1.685 50 30 DDEARM N#CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000375429 406643014 /nfs/dbraw/zinc/64/30/14/406643014.db2.gz YYEZAZSGBIPTHO-UHFFFAOYSA-N -1 0 322.371 1.796 50 30 DDEARM COc1ccc(/C(C)=N/N=C2\NC(=O)C[C@@H](C(=O)[O-])S2)cc1 ZINC000013136323 406860190 /nfs/dbraw/zinc/86/01/90/406860190.db2.gz GGGAIFBVFDAWTG-AXLKIAQESA-N -1 0 321.358 1.482 50 30 DDEARM C#CCSc1nc2c(-c3ccc(F)cc3)c[n-]n2c(=O)n1 ZINC000015107324 406880051 /nfs/dbraw/zinc/88/00/51/406880051.db2.gz AJWAAZGYCFPHNH-UHFFFAOYSA-N -1 0 300.318 1.949 50 30 DDEARM C=C1CC[C@H]2C(=C)CC[C@H]3[C@H](CS(=O)(=O)[O-])C(=O)O[C@@H]3[C@@H]12 ZINC000096023577 407224707 /nfs/dbraw/zinc/22/47/07/407224707.db2.gz IDSMFDGIKYVJPL-PEDHHIEDSA-N -1 0 312.387 1.964 50 30 DDEARM CC(C)[C@H](C#N)OC(=O)c1cccc(-n2[n-]c(=O)ccc2=O)c1 ZINC000121604227 408240044 /nfs/dbraw/zinc/24/00/44/408240044.db2.gz NGOJSXFQVMMLJJ-ZDUSSCGKSA-N -1 0 313.313 1.231 50 30 DDEARM CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000048478917 418472275 /nfs/dbraw/zinc/47/22/75/418472275.db2.gz UPQAJYMELGPPDD-QMMMGPOBSA-N -1 0 302.377 1.269 50 30 DDEARM COc1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc(OC)c1 ZINC000102970752 418495619 /nfs/dbraw/zinc/49/56/19/418495619.db2.gz IFNMSQASYDHTHS-AWFCHZOYSA-N -1 0 316.309 1.932 50 30 DDEARM C[C@@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1ccccc1C#N ZINC000263528467 698511896 /nfs/dbraw/zinc/51/18/96/698511896.db2.gz VGJAECGVLUEEAD-PWSUYJOCSA-N -1 0 308.359 1.432 50 30 DDEARM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cc(Cl)ccc1C#N ZINC000278573905 214247117 /nfs/dbraw/zinc/24/71/17/214247117.db2.gz NYHOQBLQXNMENE-QMMMGPOBSA-N -1 0 315.782 1.430 50 30 DDEARM CCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(NC(N)=O)cc1 ZINC000079101512 353549966 /nfs/dbraw/zinc/54/99/66/353549966.db2.gz KRKYXNNVLYMADI-UHFFFAOYSA-N -1 0 314.367 1.068 50 30 DDEARM O=C([O-])C[C@H]1S/C(=N/N=C2C3CC4CC(C3)CC2C4)NC1=O ZINC000004017956 181062660 /nfs/dbraw/zinc/06/26/60/181062660.db2.gz OJJKRBNLZXVHEP-LZTKIECASA-N -1 0 321.402 1.861 50 30 DDEARM CC(=O)C1=C(O)C(=O)N(CCCC(=O)[O-])[C@H]1c1ccccc1 ZINC000020113252 182188185 /nfs/dbraw/zinc/18/81/85/182188185.db2.gz BXYLWAMRNSCKHT-AWEZNQCLSA-N -1 0 303.314 1.836 50 30 DDEARM Cc1nc(=O)[n-]c(SCC(=O)N[C@@H](C)c2ccco2)c1C#N ZINC000032776415 182662072 /nfs/dbraw/zinc/66/20/72/182662072.db2.gz FJVWGOQHWIOKPT-VIFPVBQESA-N -1 0 318.358 1.513 50 30 DDEARM Cc1nc(=O)[n-]c(SCC(=O)NC2CCCCCC2)c1C#N ZINC000032776368 182662425 /nfs/dbraw/zinc/66/24/25/182662425.db2.gz IYHHCRWNYCECGC-UHFFFAOYSA-N -1 0 320.418 1.881 50 30 DDEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2cnc(C)cn2)n1 ZINC000006606059 406739333 /nfs/dbraw/zinc/73/93/33/406739333.db2.gz CKOFTMACPIYYBM-JTQLQIEISA-N -1 0 316.342 1.583 50 30 DDEARM O=c1[nH]cc(N=Cc2cc(Cl)cc(Cl)c2[O-])c(=O)[nH]1 ZINC000013118523 406858283 /nfs/dbraw/zinc/85/82/83/406858283.db2.gz HMBQGXAQNZFODB-LZWSPWQCSA-N -1 0 300.101 1.826 50 30 DDEARM CC(C)Oc1ccc(S(=O)(=O)[N-]c2nn(C)cc2C#N)cc1 ZINC000091018844 407174291 /nfs/dbraw/zinc/17/42/91/407174291.db2.gz PAGNXIGSRVRIPS-UHFFFAOYSA-N -1 0 320.374 1.880 50 30 DDEARM C/N=C1\S[C@H](C(=O)Nc2cccc(C(=O)[O-])c2)CC(=O)N1C ZINC000100272067 407307542 /nfs/dbraw/zinc/30/75/42/407307542.db2.gz VKSLNIKNVAIGTN-PQJBRBTKSA-N -1 0 321.358 1.273 50 30 DDEARM N#Cc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)c(Cl)c1 ZINC000126059291 407404243 /nfs/dbraw/zinc/40/42/43/407404243.db2.gz UFWZTUHBKIPBKX-SECBINFHSA-N -1 0 314.750 1.307 50 30 DDEARM C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000237680101 407836383 /nfs/dbraw/zinc/83/63/83/407836383.db2.gz GCMHRXHWFPGSFG-ZBEGNZNMSA-N -1 0 302.330 1.649 50 30 DDEARM CCOc1ccc(/C=N/N=C2\NC(=O)[C@@H](CC(=O)[O-])S2)cc1 ZINC000004184487 181082794 /nfs/dbraw/zinc/08/27/94/181082794.db2.gz WVIICWILKCVGKW-OXFWXOROSA-N -1 0 321.358 1.482 50 30 DDEARM Cn1ccnc1C([O-])=C(C#N)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153320476 354198294 /nfs/dbraw/zinc/19/82/94/354198294.db2.gz ZMYOBPPBYSTIFJ-GFCCVEGCSA-N -1 0 312.285 1.463 50 30 DDEARM C#CCOC(=O)c1ccccc1C(=O)N[C@H](CCCC)C(=O)[O-] ZINC000004537836 181120676 /nfs/dbraw/zinc/12/06/76/181120676.db2.gz VLRVASZJEITUCK-CQSZACIVSA-N -1 0 317.341 1.850 50 30 DDEARM C=CCOc1ccccc1C(=O)N1CC[C@H](O)C[C@@H]1C(=O)[O-] ZINC000065417238 184341393 /nfs/dbraw/zinc/34/13/93/184341393.db2.gz QVZJCHGEASKCDY-WCQYABFASA-N -1 0 305.330 1.302 50 30 DDEARM COc1ccc(S(=O)(=O)[N-]C(=O)C(C)C)c([N+](=O)[O-])c1 ZINC000048518806 407099742 /nfs/dbraw/zinc/09/97/42/407099742.db2.gz GRPGGNARTVYZNB-UHFFFAOYSA-N -1 0 302.308 1.905 50 30 DDEARM C#CCNC(=O)c1c(C)[n-]n(-c2cccc(C(F)(F)F)c2)c1=O ZINC000128560621 407549223 /nfs/dbraw/zinc/54/92/23/407549223.db2.gz FJEXNVWPTUVMRX-GFCCVEGCSA-N -1 0 323.274 1.794 50 30 DDEARM Cc1cc(C#N)ccc1C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000129686069 196067327 /nfs/dbraw/zinc/06/73/27/196067327.db2.gz TVXNMQRAESGMIQ-CYBMUJFWSA-N -1 0 322.386 1.495 50 30 DDEARM COc1cccc(OCC(=O)[N-]S(=O)(=O)c2cccnc2)c1 ZINC000048533336 418472584 /nfs/dbraw/zinc/47/25/84/418472584.db2.gz CXFPUUVULDASGZ-UHFFFAOYSA-N -1 0 322.342 1.814 50 30 DDEARM COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)[C@H](C)OC)c1 ZINC000049135105 418475360 /nfs/dbraw/zinc/47/53/60/418475360.db2.gz YYWYRBBSCRXGAC-QMMMGPOBSA-N -1 0 303.336 1.384 50 30 DDEARM CN(C(=O)c1ccco1)c1ccccc1C(=O)[N-]S(C)(=O)=O ZINC000078715019 523951336 /nfs/dbraw/zinc/95/13/36/523951336.db2.gz PWYHUVBCMLSQPW-UHFFFAOYSA-N -1 0 322.342 1.820 50 30 DDEARM C[C@H](NC(=O)CC1CCCCC1)C(=O)[N-]S(=O)(=O)N(C)C ZINC000069874492 524924873 /nfs/dbraw/zinc/92/48/73/524924873.db2.gz SMJVRWVBNDGVDN-JTQLQIEISA-N -1 0 319.427 1.224 50 30 DDEARM C#CCCC1(CCC(=O)N[C@@H](C)C2(C(=O)[O-])CCOCC2)N=N1 ZINC000952876203 775623339 /nfs/dbraw/zinc/62/33/39/775623339.db2.gz FZHMMWBXUWVZTA-LBPRGKRZSA-N -1 0 321.377 1.728 50 30 DDEARM CCC1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000097001036 185396169 /nfs/dbraw/zinc/39/61/69/185396169.db2.gz WYVDEOJGGQWBIT-UHFFFAOYSA-N -1 0 322.386 1.824 50 30 DDEARM C=CCOC(=O)N[C@H](CCCNC(=O)OC(C)(C)C)C(=O)[O-] ZINC000004899908 181170456 /nfs/dbraw/zinc/17/04/56/181170456.db2.gz IHXJYHSRKKRBPX-SNVBAGLBSA-N -1 0 316.354 1.657 50 30 DDEARM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000071904768 406865246 /nfs/dbraw/zinc/86/52/46/406865246.db2.gz ZNXVCMZMUGTAEC-SSDOTTSWSA-N -1 0 317.255 1.837 50 30 DDEARM N#Cc1cccnc1N1CCC[C@H](Cn2cc(C(=O)[O-])nn2)C1 ZINC000067743560 407282027 /nfs/dbraw/zinc/28/20/27/407282027.db2.gz ZEPFASFHNVNGFT-NSHDSACASA-N -1 0 312.333 1.160 50 30 DDEARM CC(=O)Nc1ccc(N2CCN(CCC#N)CC2)cc1C(=O)[O-] ZINC000045967722 418444240 /nfs/dbraw/zinc/44/42/40/418444240.db2.gz WAUCATHXIFCBDG-UHFFFAOYSA-N -1 0 316.361 1.379 50 30 DDEARM CC(C)[C@H](NC(=O)c1cccs1)C(=O)[N-]S(C)(=O)=O ZINC000048480084 418472724 /nfs/dbraw/zinc/47/27/24/418472724.db2.gz KNQGLJPQRSXULH-VIFPVBQESA-N -1 0 304.393 1.419 50 30 DDEARM C[C@@H](CC#N)NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000104088198 418497164 /nfs/dbraw/zinc/49/71/64/418497164.db2.gz YPYRTEFICMFGFB-QMMMGPOBSA-N -1 0 302.359 1.254 50 30 DDEARM C[C@@H](Oc1cccc(C#N)c1)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000408513478 418806471 /nfs/dbraw/zinc/80/64/71/418806471.db2.gz CRGYNWRQUVNDBR-BXUZGUMPSA-N -1 0 318.329 1.028 50 30 DDEARM CCCCNC(=O)N=S(=O)([O-])c1ccc(OC)c(OC)c1 ZINC000036395651 520553336 /nfs/dbraw/zinc/55/33/36/520553336.db2.gz CBBAWVKTKOGOQL-UHFFFAOYSA-N -1 0 316.379 1.696 50 30 DDEARM COC(=O)/C(=N\[O-])c1ccc(Br)cc1[N+](=O)[O-] ZINC000169748251 741646567 /nfs/dbraw/zinc/64/65/67/741646567.db2.gz DBFMDFCETKWFBB-FLIBITNWSA-N -1 0 303.068 1.709 50 30 DDEARM Cc1ocnc1C(=O)[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000160033126 354236811 /nfs/dbraw/zinc/23/68/11/354236811.db2.gz STJXDPOVYQASPE-UHFFFAOYSA-N -1 0 309.278 1.113 50 30 DDEARM N#Cc1ccc(CS(=O)(=O)N(CC(=O)[O-])C2CCC2)cc1 ZINC000593945242 356070363 /nfs/dbraw/zinc/07/03/63/356070363.db2.gz PGKKXGMECCHVPX-UHFFFAOYSA-N -1 0 308.359 1.327 50 30 DDEARM COC(=O)c1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1 ZINC000105639687 194116868 /nfs/dbraw/zinc/11/68/68/194116868.db2.gz PCIJAHIZZCTVCY-KKTNHOPESA-N -1 0 314.293 1.701 50 30 DDEARM CCOC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000048422738 285821078 /nfs/dbraw/zinc/82/10/78/285821078.db2.gz GOQIPIXPGHACDK-UHFFFAOYSA-N -1 0 314.363 1.776 50 30 DDEARM C=CCN1C(=O)[N-]C(=O)/C(=C\c2ccc(OC)cc2OC)C1=O ZINC000013510396 406862775 /nfs/dbraw/zinc/86/27/75/406862775.db2.gz PFMVYMPHLBQBPW-XYOKQWHBSA-N -1 0 316.313 1.352 50 30 DDEARM COc1ccc(C(C)=NN=C2NC(=O)[C@H](CC(=O)[O-])S2)cc1 ZINC000252462165 408794948 /nfs/dbraw/zinc/79/49/48/408794948.db2.gz QIOOUWZCADDWBS-NSHDSACASA-N -1 0 321.358 1.482 50 30 DDEARM C[C@H]1CC(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C[C@H](C)C1 ZINC000585121034 422308373 /nfs/dbraw/zinc/30/83/73/422308373.db2.gz COXQOJZRLUATHX-GHMZBOCLSA-N -1 0 318.377 1.152 50 30 DDEARM CC(=O)Nc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1 ZINC000028605399 696106222 /nfs/dbraw/zinc/10/62/22/696106222.db2.gz CRUKFGFDBWHPKO-CDVVCGDMSA-N -1 0 313.309 1.873 50 30 DDEARM N#Cc1cccc(/C=C\C(=O)[N-]S(=O)(=O)Cc2ccon2)c1 ZINC000492082016 234379440 /nfs/dbraw/zinc/37/94/40/234379440.db2.gz HSXRILZIQYCDGP-PLNGDYQASA-N -1 0 317.326 1.206 50 30 DDEARM C=CCN1C(=O)[N-]C(=O)C(=C(C)NCCc2ccccc2)C1=O ZINC000005561738 181257974 /nfs/dbraw/zinc/25/79/74/181257974.db2.gz QEPUMXMTRFNMFC-WYMLVPIESA-N -1 0 313.357 1.357 50 30 DDEARM Cc1[n-]n(C(N)=S)c(=O)c1[C@@H](c1ccccc1)C(C#N)C#N ZINC000018143208 182094398 /nfs/dbraw/zinc/09/43/98/182094398.db2.gz QGDSBAZTFOEGPW-OLZOCXBDSA-N -1 0 311.370 1.511 50 30 DDEARM CC(=O)C1=C(O)C(=O)N(CCCC(=O)[O-])[C@H]1c1ccccc1F ZINC000020065469 182184514 /nfs/dbraw/zinc/18/45/14/182184514.db2.gz AZPIWEOWYVXJLM-AWEZNQCLSA-N -1 0 321.304 1.975 50 30 DDEARM COc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C)[nH]c2=O)cc1 ZINC000062674853 184247282 /nfs/dbraw/zinc/24/72/82/184247282.db2.gz MGCUNFXJUUVNEX-UHFFFAOYSA-N -1 0 322.342 1.385 50 30 DDEARM C=CCOC(=O)c1[nH]c2c(c1C)C([O-])=C(C(=O)OC)[C@@H](C)C2 ZINC000002499366 406690244 /nfs/dbraw/zinc/69/02/44/406690244.db2.gz WDEOGJQPVWYFDC-GZMMTYOYSA-N -1 0 305.330 1.830 50 30 DDEARM C#CCN1C(=O)S/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C1=O ZINC000012378675 406843485 /nfs/dbraw/zinc/84/34/85/406843485.db2.gz VXOBUURJVCGZEA-XFFZJAGNSA-N -1 0 304.283 1.970 50 30 DDEARM C[C@H](C#N)NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000125442697 407388926 /nfs/dbraw/zinc/38/89/26/407388926.db2.gz QBYLBMTYVWTNSH-SECBINFHSA-N -1 0 302.359 1.104 50 30 DDEARM COCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)CCC2 ZINC000103502825 418496713 /nfs/dbraw/zinc/49/67/13/418496713.db2.gz FDEBIAUQWVCFPF-HNNXBMFYSA-N -1 0 300.358 1.650 50 30 DDEARM Cn1ccc2c1cccc2C(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000077941704 483966261 /nfs/dbraw/zinc/96/62/61/483966261.db2.gz STQLNRFSVRFGGL-UHFFFAOYSA-N -1 0 307.375 1.824 50 30 DDEARM CCOC(=O)N=c1[n-]nc(SCC(=O)NCC(C)C)s1 ZINC000032891728 520389809 /nfs/dbraw/zinc/38/98/09/520389809.db2.gz QTXMPMHOLOKUFC-UHFFFAOYSA-N -1 0 318.424 1.984 50 30 DDEARM O=C(Oc1ccc(CN=Nc2nnn[n-]2)cc1)c1cccs1 ZINC000004761489 526438657 /nfs/dbraw/zinc/43/86/57/526438657.db2.gz MGFLSCSERFWYQH-RIYZIHGNSA-N -1 0 314.330 1.926 50 30 DDEARM CCCc1cc(=O)[nH]c(NN=Cc2ccc(C(=O)[O-])cc2)n1 ZINC000003947094 181058751 /nfs/dbraw/zinc/05/87/51/181058751.db2.gz QRJRHHJPRGGCRS-CXUHLZMHSA-N -1 0 300.318 1.867 50 30 DDEARM Cc1cc(C)c(CC(=O)[N-]S(=O)(=O)CCCC#N)c(C)c1 ZINC000195574061 354298009 /nfs/dbraw/zinc/29/80/09/354298009.db2.gz JDLGTTCPPASQIY-UHFFFAOYSA-N -1 0 308.403 1.904 50 30 DDEARM O=C1[N-]C(=S)NC(=O)C1=NNc1cccc(C(F)(F)F)c1 ZINC000005818914 181286748 /nfs/dbraw/zinc/28/67/48/181286748.db2.gz PTXLSSQHJUJSKB-UHFFFAOYSA-N -1 0 316.264 1.845 50 30 DDEARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000096479917 193663462 /nfs/dbraw/zinc/66/34/62/193663462.db2.gz VXXVQUSIAAMAMG-VXGBXAGGSA-N -1 0 311.259 1.894 50 30 DDEARM COc1nc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cc2ccccc21 ZINC000058267037 184097343 /nfs/dbraw/zinc/09/73/43/184097343.db2.gz AIEZTIVGYXRJCZ-UHFFFAOYSA-N -1 0 318.296 1.962 50 30 DDEARM COc1ccc(OC)c(C=Nn2c(=O)c(C)n[n-]c2=S)c1 ZINC000000137950 257234326 /nfs/dbraw/zinc/23/43/26/257234326.db2.gz XIXBDGHTVHDFLM-VGOFMYFVSA-N -1 0 306.347 1.509 50 30 DDEARM C=CCn1c([O-])c(Cc2ccc(OC)c(OC)c2)c(=O)[nH]c1=O ZINC000000133890 406624222 /nfs/dbraw/zinc/62/42/22/406624222.db2.gz NNMGFXIYGXIDHC-LLVKDONJSA-N -1 0 318.329 1.127 50 30 biogenic,in-vitro DDEARM C#CCN1C(=O)S/C(=C\c2ccc(OCC(=O)[O-])cc2)C1=O ZINC000002968004 406707789 /nfs/dbraw/zinc/70/77/89/406707789.db2.gz RXQJWTTUWMCLBS-WQLSENKSSA-N -1 0 317.322 1.820 50 30 DDEARM Cc1cc(NCc2n[nH]c(=O)[n-]2)n2c3ccccc3nc2c1C#N ZINC000075109964 406921919 /nfs/dbraw/zinc/92/19/19/406921919.db2.gz GJURPKXPWOGBDR-UHFFFAOYSA-N -1 0 319.328 1.691 50 30 DDEARM CCCCCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)[O-] ZINC000077286434 406982940 /nfs/dbraw/zinc/98/29/40/406982940.db2.gz MZUBOXLGCNTCGH-LBPRGKRZSA-N -1 0 300.399 1.962 50 30 in-vitro DDEARM COCc1ccccc1C(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000052793941 407158066 /nfs/dbraw/zinc/15/80/66/407158066.db2.gz SNENZQRODZRKDZ-UHFFFAOYSA-N -1 0 312.391 1.868 50 30 DDEARM CNC(=O)C(C#N)=C([O-])c1csc(CCc2ccccc2)n1 ZINC000102762585 407326625 /nfs/dbraw/zinc/32/66/25/407326625.db2.gz UMHFQDUTEPUTKR-GFCCVEGCSA-N -1 0 313.382 1.997 50 30 DDEARM N#CCc1ccc(S(=O)(=O)[N-]c2nc3ccccn3n2)cc1 ZINC000097098477 407280383 /nfs/dbraw/zinc/28/03/83/407280383.db2.gz NZKVHLJQISSTBZ-UHFFFAOYSA-N -1 0 313.342 1.596 50 30 DDEARM C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000237680067 407834244 /nfs/dbraw/zinc/83/42/44/407834244.db2.gz GCMHRXHWFPGSFG-MEDUHNTESA-N -1 0 302.330 1.649 50 30 DDEARM COc1ccc(C(C)=NN=C2NC(=O)[C@@H](CC(=O)[O-])S2)cc1 ZINC000252462164 408794762 /nfs/dbraw/zinc/79/47/62/408794762.db2.gz QIOOUWZCADDWBS-LLVKDONJSA-N -1 0 321.358 1.482 50 30 DDEARM Cc1cc(C)n(N=Cc2cc([N+](=O)[O-])ccc2[O-])c(=O)c1C#N ZINC000252460333 408794772 /nfs/dbraw/zinc/79/47/72/408794772.db2.gz DPGFSXLWCNPJMP-UHFFFAOYSA-N -1 0 312.285 1.833 50 30 DDEARM CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2COCCO2)cc1 ZINC000048452934 418472215 /nfs/dbraw/zinc/47/22/15/418472215.db2.gz QBEZDTHTPUPMMU-LBPRGKRZSA-N -1 0 315.347 1.146 50 30 DDEARM CCC[C@H](C#N)NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000102952435 418495355 /nfs/dbraw/zinc/49/53/55/418495355.db2.gz JGYDZAKXHVRXDU-SNVBAGLBSA-N -1 0 316.386 1.644 50 30 DDEARM CC(C)[C@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)C(=O)[O-] ZINC000362122824 418749662 /nfs/dbraw/zinc/74/96/62/418749662.db2.gz HBPZKWNZJRRUTO-LBPRGKRZSA-N -1 0 314.338 1.226 50 30 DDEARM C#CCCC1(CCC(=O)N[C@]2(CC(=O)[O-])CCCOC2)N=N1 ZINC000952876471 775625152 /nfs/dbraw/zinc/62/51/52/775625152.db2.gz RTBYQVMFTJUMKW-AWEZNQCLSA-N -1 0 307.350 1.482 50 30 DDEARM COc1cc([C@H]2NC(=O)NC(C)=C2C(C)=O)cc([N+](=O)[O-])c1[O-] ZINC000018205719 182098770 /nfs/dbraw/zinc/09/87/70/182098770.db2.gz JYPRQAVPZHQYGO-GFCCVEGCSA-N -1 0 321.289 1.526 50 30 DDEARM O=C([N-]S(=O)(=O)N1CCc2sccc2C1)c1ccoc1 ZINC000071859316 184872655 /nfs/dbraw/zinc/87/26/55/184872655.db2.gz NTHQWLGUECDSMI-UHFFFAOYSA-N -1 0 312.372 1.949 50 30 DDEARM C[C@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000069282079 406695468 /nfs/dbraw/zinc/69/54/68/406695468.db2.gz HRGPOMVIIDIAAF-RYUDHWBXSA-N -1 0 313.375 1.916 50 30 DDEARM Cc1ccccc1NC(=O)CSc1[n-]c(=O)nc(C)c1C#N ZINC000032776341 406953588 /nfs/dbraw/zinc/95/35/88/406953588.db2.gz WVVVRFUEOKBKET-UHFFFAOYSA-N -1 0 314.370 1.989 50 30 DDEARM O=C([N-]S(=O)(=O)CCCF)c1cnc([C@@H]2CCCO2)s1 ZINC000089979630 407163616 /nfs/dbraw/zinc/16/36/16/407163616.db2.gz LJSLADYYXZOIGV-QMMMGPOBSA-N -1 0 322.383 1.989 50 30 DDEARM N#Cc1c[nH]nc1[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000091052595 407175361 /nfs/dbraw/zinc/17/53/61/407175361.db2.gz ZGNYFCIGAXYCDW-UHFFFAOYSA-N -1 0 314.330 1.268 50 30 DDEARM Cc1nc(NC(=O)CN2CCC[C@@H](C#N)C2)sc1C(=O)[O-] ZINC000299777959 302602801 /nfs/dbraw/zinc/60/28/01/302602801.db2.gz IDFGQUSIPWHFHU-VIFPVBQESA-N -1 0 308.363 1.324 50 30 DDEARM COc1nc(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2)c(C)n1 ZINC000585435956 773683345 /nfs/dbraw/zinc/68/33/45/773683345.db2.gz HQNYHRVCTOETBG-UHFFFAOYSA-N -1 0 318.358 1.775 50 30 DDEARM C#CCCC1(CCC(=O)N[C@@H](C(=O)[O-])C2CCOCC2)N=N1 ZINC000952876200 775623155 /nfs/dbraw/zinc/62/31/55/775623155.db2.gz FRJDKDVLVXYHOO-CYBMUJFWSA-N -1 0 307.350 1.338 50 30 DDEARM N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CSCC(=O)[O-] ZINC000002650682 406694225 /nfs/dbraw/zinc/69/42/25/406694225.db2.gz OMVYFKKJFSXYQO-UHFFFAOYSA-N -1 0 313.338 1.970 50 30 DDEARM CCOC(=O)C(C#N)=N[N-]c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000015357011 406881310 /nfs/dbraw/zinc/88/13/10/406881310.db2.gz DJCILPVBJGYEGA-SXGWCWSVSA-N -1 0 320.261 1.221 50 30 DDEARM COc1ccccc1C(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1C ZINC000048533362 418472100 /nfs/dbraw/zinc/47/21/00/418472100.db2.gz VFGMYWKNVJVVJI-UHFFFAOYSA-N -1 0 323.374 1.739 50 30 DDEARM CNC(=O)C(C#N)=C([O-])c1cn(-c2ccc(Cl)cc2)nc1C ZINC000101372535 418494235 /nfs/dbraw/zinc/49/42/35/418494235.db2.gz WSKNGZBGHCEIKO-LBPRGKRZSA-N -1 0 316.748 1.903 50 30 DDEARM COC[C@@H](C)NC(=O)C(C#N)=C([O-])c1cn(C)c2ccccc12 ZINC000103503037 418496689 /nfs/dbraw/zinc/49/66/89/418496689.db2.gz WFQQQCIPDIXSTH-DGCLKSJQSA-N -1 0 313.357 1.652 50 30 DDEARM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(N)=O)cc1 ZINC000006623265 303199668 /nfs/dbraw/zinc/19/96/68/303199668.db2.gz VJDFEKZRFGONKW-UHFFFAOYSA-N -1 0 301.327 1.458 50 30 DDEARM CN(C)c1ncccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000097101388 337382320 /nfs/dbraw/zinc/38/23/20/337382320.db2.gz HHTBIWQSRUADPK-UHFFFAOYSA-N -1 0 302.359 1.820 50 30 DDEARM C=CC[C@]1(C(=O)[O-])CCCN(C(=O)CCCn2cccn2)C1 ZINC000091547277 519121525 /nfs/dbraw/zinc/12/15/25/519121525.db2.gz XHTVGIHWXVEJLX-INIZCTEOSA-N -1 0 305.378 1.933 50 30 DDEARM CC[C@@H](C)C(=O)NCC(=O)[N-]S(=O)(=O)c1ccc(C)s1 ZINC000078556457 521912762 /nfs/dbraw/zinc/91/27/62/521912762.db2.gz ZDLCOVGFWPNIBZ-MRVPVSSYSA-N -1 0 318.420 1.864 50 30 DDEARM Cc1[n-]n(C(N)=S)c(=O)c1[C@H](c1ccccc1)C(C#N)C#N ZINC000004399816 181107676 /nfs/dbraw/zinc/10/76/76/181107676.db2.gz QGDSBAZTFOEGPW-CHWSQXEVSA-N -1 0 311.370 1.511 50 30 DDEARM CSc1ccc(/C=N/N=C2/NC(=O)[C@@H](CC(=O)[O-])S2)cc1 ZINC000005055165 181198068 /nfs/dbraw/zinc/19/80/68/181198068.db2.gz ULHKFSTYKHPEOR-FBWGLTFQSA-N -1 0 323.399 1.805 50 30 DDEARM O=C([O-])C[C@@H]1S/C(=N\n2cnnc2)N(c2ccccc2)C1=O ZINC000012960284 181815665 /nfs/dbraw/zinc/81/56/65/181815665.db2.gz XQXSCXSMMYCMII-VQZCRYCJSA-N -1 0 317.330 1.021 50 30 DDEARM CCCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000042343460 183256731 /nfs/dbraw/zinc/25/67/31/183256731.db2.gz OZPOPWGHTVYVFN-UHFFFAOYSA-N -1 0 312.347 1.452 50 30 DDEARM C[C@H](Oc1ccc(F)c(F)c1)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000071904767 184898202 /nfs/dbraw/zinc/89/82/02/184898202.db2.gz ZNXVCMZMUGTAEC-ZETCQYMHSA-N -1 0 317.255 1.837 50 30 DDEARM N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 ZINC000096013364 407224540 /nfs/dbraw/zinc/22/45/40/407224540.db2.gz PCNGBUVTNNTUSL-QWHCGFSZSA-N -1 0 322.361 1.679 50 30 DDEARM COC(=O)[C@@H]1C([O-])=C(C(=O)C=Cc2ccco2)C(=O)CC1(C)C ZINC000100150825 407307262 /nfs/dbraw/zinc/30/72/62/407307262.db2.gz OZNNWTQYFYFKJQ-AFJNRPGYSA-N -1 0 318.325 1.835 50 30 DDEARM O=c1cnnc(NN=Cc2cc(Br)ccc2O)[n-]1 ZINC000253534235 407454969 /nfs/dbraw/zinc/45/49/69/407454969.db2.gz BQXOGORSLSEDPX-UHFFFAOYSA-N -1 0 310.111 1.491 50 30 DDEARM N#Cc1c(=O)[n-]c(=O)[nH]c1Nc1ccc(N2CCOCC2)cc1 ZINC000046088734 418444906 /nfs/dbraw/zinc/44/49/06/418444906.db2.gz UAPHSNBGGXSCHC-UHFFFAOYSA-N -1 0 313.317 1.340 50 30 DDEARM CC(C)Oc1ccc(C(=O)[N-]S(=O)(=O)c2cccnc2)cn1 ZINC000048533306 418472071 /nfs/dbraw/zinc/47/20/71/418472071.db2.gz UYZMHXCYRJGPOM-UHFFFAOYSA-N -1 0 321.358 1.957 50 30 DDEARM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)CC[C@@H]1CCCO1 ZINC000048491578 418472123 /nfs/dbraw/zinc/47/21/23/418472123.db2.gz QUAKUMKXPSKADV-JTQLQIEISA-N -1 0 302.352 1.896 50 30 DDEARM CC(C)CNC(=O)C(C#N)=C([O-])c1cccc(-n2cccn2)c1 ZINC000101167563 418493876 /nfs/dbraw/zinc/49/38/76/418493876.db2.gz WCTMSZXANYKMGL-HNNXBMFYSA-N -1 0 310.357 1.967 50 30 DDEARM CCO[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1C#N ZINC000069550150 520554326 /nfs/dbraw/zinc/55/43/26/520554326.db2.gz DWSKIWNZVITAFA-STQMWFEESA-N -1 0 308.359 1.770 50 30 DDEARM Cn1ncc(C#N)c1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000156284113 527564666 /nfs/dbraw/zinc/56/46/66/527564666.db2.gz HJHGRAIOHMGDBU-UHFFFAOYSA-N -1 0 314.729 1.885 50 30 DDEARM O=C([O-])C[C@H]1S/C(=N/N=C/c2ccccc2Cl)NC1=O ZINC000004184428 181082323 /nfs/dbraw/zinc/08/23/23/181082323.db2.gz BVDDGOIHXXZQDP-ISKYKNHCSA-N -1 0 311.750 1.736 50 30 DDEARM COC(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[n-]1 ZINC000005238257 181220724 /nfs/dbraw/zinc/22/07/24/181220724.db2.gz ZRGWTWCWGOUPPF-UHFFFAOYSA-N -1 0 301.327 1.574 50 30 DDEARM CCOc1cc(C#N)ccc1O[C@H]1CCN(CC(=O)[O-])C1=O ZINC000596009381 356745558 /nfs/dbraw/zinc/74/55/58/356745558.db2.gz PVVKMFJOBOPPBV-LBPRGKRZSA-N -1 0 304.302 1.021 50 30 DDEARM C[C@@H](C#N)CN(C)C(=O)c1cc(F)ccc1[N-]S(C)(=O)=O ZINC000065608001 184372080 /nfs/dbraw/zinc/37/20/80/184372080.db2.gz UZHAIQLHETWGMO-VIFPVBQESA-N -1 0 313.354 1.429 50 30 DDEARM C/C(=N\N=C1\NC(=O)[C@H](CC(=O)[O-])S1)c1ccc(C)cc1 ZINC000001058837 406662704 /nfs/dbraw/zinc/66/27/04/406662704.db2.gz IVSAGKFBYKIPEQ-UJFYRASASA-N -1 0 305.359 1.781 50 30 DDEARM CSc1ccc(/C=N/N=C2/NC(=O)[C@H](CC(=O)[O-])S2)cc1 ZINC000002250819 406685079 /nfs/dbraw/zinc/68/50/79/406685079.db2.gz ULHKFSTYKHPEOR-UQDQQJHMSA-N -1 0 323.399 1.805 50 30 DDEARM N#CCc1cccc(C(=O)[N-]S(=O)(=O)c2cccnc2)c1 ZINC000048533196 407099745 /nfs/dbraw/zinc/09/97/45/407099745.db2.gz VMTOJCJFTQEQPR-UHFFFAOYSA-N -1 0 301.327 1.841 50 30 DDEARM O=C([N-]S(=O)(=O)CCCF)c1cnc([C@H]2CCCO2)s1 ZINC000089979631 407164512 /nfs/dbraw/zinc/16/45/12/407164512.db2.gz LJSLADYYXZOIGV-MRVPVSSYSA-N -1 0 322.383 1.989 50 30 DDEARM CC(C)NC(=O)C(C#N)=C([O-])c1cnn(Cc2ccccc2)c1 ZINC000130723007 407707592 /nfs/dbraw/zinc/70/75/92/407707592.db2.gz DVEOXGFDSAKOPO-HNNXBMFYSA-N -1 0 310.357 1.778 50 30 DDEARM COc1cc(OC)cc(C([O-])=C(C#N)C(=O)N2CCCC2)c1 ZINC000103502618 418496804 /nfs/dbraw/zinc/49/68/04/418496804.db2.gz DSQSRXTYXAZWKF-CQSZACIVSA-N -1 0 302.330 1.649 50 30 DDEARM COCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000083147681 483982603 /nfs/dbraw/zinc/98/26/03/483982603.db2.gz LFOQFLFYRSFPFF-QWHCGFSZSA-N -1 0 308.359 1.594 50 30 DDEARM COc1ccc(C(=O)[N-]S(C)(=O)=O)c(Br)c1 ZINC000083925500 483986707 /nfs/dbraw/zinc/98/67/07/483986707.db2.gz LWAOWBOWWPOYCQ-UHFFFAOYSA-N -1 0 308.153 1.722 50 30 DDEARM O=C([O-])COc1ccccc1C=Nn1cnc2ccccc2c1=O ZINC000254722279 698408049 /nfs/dbraw/zinc/40/80/49/698408049.db2.gz PIWWPMISRAKGKO-UHFFFAOYSA-N -1 0 323.308 1.742 50 30 DDEARM Cc1cc(/C=N/NC(N)=S)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000004739588 181145224 /nfs/dbraw/zinc/14/52/24/181145224.db2.gz CSNAUKRQNJOUPP-CAOOACKPSA-N -1 0 316.386 1.959 50 30 DDEARM COc1ccc(/C(C)=N\N=C2\NC(=O)[C@H](CC(=O)[O-])S2)cc1 ZINC000004795519 181153130 /nfs/dbraw/zinc/15/31/30/181153130.db2.gz QIOOUWZCADDWBS-FSKGUYTJSA-N -1 0 321.358 1.482 50 30 DDEARM N#Cc1cnc(SCc2nc(=O)c3sccc3[n-]2)nc1N ZINC000012534461 181772233 /nfs/dbraw/zinc/77/22/33/181772233.db2.gz OPZQIZLSLMSAMR-UHFFFAOYSA-N -1 0 316.371 1.521 50 30 DDEARM CC1=CC(=O)C(=C([O-])C=Cc2cccc3c2OCO3)C(=O)O1 ZINC000044013247 183393020 /nfs/dbraw/zinc/39/30/20/183393020.db2.gz SWLBIHBPBFAEKD-GJBLVYBDSA-N -1 0 300.266 1.644 50 30 DDEARM N#Cc1ccccc1S(=O)(=O)[N-]c1cccc2c1C(=O)NC2 ZINC000012734596 256525168 /nfs/dbraw/zinc/52/51/68/256525168.db2.gz OJYHLWUIIXPOQH-UHFFFAOYSA-N -1 0 313.338 1.602 50 30 DDEARM COc1ccc(-c2nc(SCC(N)=O)[n-]c(=O)c2C#N)cc1 ZINC000002751166 406699691 /nfs/dbraw/zinc/69/96/91/406699691.db2.gz PEJNASPYKLRGKM-UHFFFAOYSA-N -1 0 316.342 1.307 50 30 DDEARM C=CCOC(=O)NCCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000025722429 406900230 /nfs/dbraw/zinc/90/02/30/406900230.db2.gz OSIUYHBPBBOKMJ-JTQLQIEISA-N -1 0 316.354 1.657 50 30 DDEARM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccc(C#N)cn1 ZINC000096487619 407272138 /nfs/dbraw/zinc/27/21/38/407272138.db2.gz HHJCZTSFWDVZKP-UHFFFAOYSA-N -1 0 319.390 1.612 50 30 DDEARM CC(C)[C@@H](C#N)OC(=O)c1cccc(-n2[n-]c(=O)ccc2=O)c1 ZINC000121604092 408238469 /nfs/dbraw/zinc/23/84/69/408238469.db2.gz NGOJSXFQVMMLJJ-CYBMUJFWSA-N -1 0 313.313 1.231 50 30 DDEARM CC[C@H](C)n1ncc2c1nc(C)cc2C([O-])=C(C#N)C(=O)NC ZINC000100684206 418493092 /nfs/dbraw/zinc/49/30/92/418493092.db2.gz NXBNKPUYVJPCMU-CMPLNLGQSA-N -1 0 313.361 1.779 50 30 DDEARM C#CCCC1(CCC(=O)N2CCC(OCC(=O)[O-])CC2)N=N1 ZINC000952876854 775626467 /nfs/dbraw/zinc/62/64/67/775626467.db2.gz ZKCBAFJKTCAGNN-UHFFFAOYSA-N -1 0 307.350 1.434 50 30 DDEARM C#CCCC1(CCC(=O)N[C@H](CC2CCOCC2)C(=O)[O-])N=N1 ZINC000952878947 775629467 /nfs/dbraw/zinc/62/94/67/775629467.db2.gz KVIOMUGWJHBHET-CYBMUJFWSA-N -1 0 321.377 1.728 50 30 DDEARM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccn2C)cc1C(N)=O ZINC000078806386 353532993 /nfs/dbraw/zinc/53/29/93/353532993.db2.gz BHBHYCHDKYMTMS-UHFFFAOYSA-N -1 0 321.358 1.126 50 30 DDEARM COC(=O)[C@@H](C)Sc1nc(-c2ccccc2)c(C#N)c(=O)[n-]1 ZINC000005238262 181220259 /nfs/dbraw/zinc/22/02/59/181220259.db2.gz VJXCAKHBMDQMKB-SECBINFHSA-N -1 0 315.354 1.962 50 30 DDEARM CC(=O)[N-]S(=O)(=O)c1ccc(N=NN2CCOCC2)cc1 ZINC000017720396 182085099 /nfs/dbraw/zinc/08/50/99/182085099.db2.gz SDBNAWOKRQYNRZ-FYWRMAATSA-N -1 0 312.351 1.683 50 30 DDEARM O=C([O-])CN1C(=S)SC(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000040227653 183047663 /nfs/dbraw/zinc/04/76/63/183047663.db2.gz PBUQZYKIYOWJBW-FPYGCLRLSA-N -1 0 323.351 1.701 50 30 DDEARM O=C([O-])C[C@@H]1S/C(=N\N=C\C=C\c2ccccc2)NC1=O ZINC000002252845 406683297 /nfs/dbraw/zinc/68/32/97/406683297.db2.gz MDTSDNQPTIRIRQ-RTDDSOHKSA-N -1 0 303.343 1.748 50 30 DDEARM CN1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000095946093 407215960 /nfs/dbraw/zinc/21/59/60/407215960.db2.gz ZIRXOYIIGNUTHJ-ZDUSSCGKSA-N -1 0 307.375 1.688 50 30 DDEARM O=C([O-])[C@H]1C[C@H]1C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000096479909 407270869 /nfs/dbraw/zinc/27/08/69/407270869.db2.gz VXXVQUSIAAMAMG-NEPJUHHUSA-N -1 0 311.259 1.894 50 30 DDEARM O=C([O-])Cc1sc(NN=C2CCCc3ccccc32)nc1O ZINC000100889254 418493290 /nfs/dbraw/zinc/49/32/90/418493290.db2.gz TZKUZSJGLPOSLB-ZSAINHDTSA-N -1 0 317.370 1.789 50 30 DDEARM C[C@@H](Oc1ccccc1C#N)C(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000299743481 533964908 /nfs/dbraw/zinc/96/49/08/533964908.db2.gz NSEIYRSFDCBYQD-MEBBXXQBSA-N -1 0 320.370 1.402 50 30 DDEARM CC(=O)C(=N[N-]c1nc[nH]c1C(=O)NC1CCCCC1)C(C)=O ZINC000005799104 181285365 /nfs/dbraw/zinc/28/53/65/181285365.db2.gz JQIVAPFZGKTMEK-UHFFFAOYSA-N -1 0 319.365 1.418 50 30 DDEARM C[C@@H](Oc1cccc(C#N)c1)C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000237503300 296208772 /nfs/dbraw/zinc/20/87/72/296208772.db2.gz GLQNFWSWVGQQAO-BXUZGUMPSA-N -1 0 302.330 1.791 50 30 DDEARM N#Cc1c(F)cccc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000160072503 197383534 /nfs/dbraw/zinc/38/35/34/197383534.db2.gz URSGICCCFARAAJ-NXEZZACHSA-N -1 0 308.334 1.548 50 30 DDEARM N#Cc1c(F)cccc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000160072633 197383185 /nfs/dbraw/zinc/38/31/85/197383185.db2.gz URSGICCCFARAAJ-ZJUUUORDSA-N -1 0 308.334 1.548 50 30 DDEARM CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2cn(C)cn2)c1 ZINC000089756622 407146880 /nfs/dbraw/zinc/14/68/80/407146880.db2.gz SCHNHJISUTZOSF-UHFFFAOYSA-N -1 0 305.363 1.159 50 30 DDEARM C[C@@H](Oc1ccccc1C#N)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000261793197 407617218 /nfs/dbraw/zinc/61/72/18/407617218.db2.gz UALLMASKBLCIHG-DGCLKSJQSA-N -1 0 318.329 1.028 50 30 DDEARM C=CCSCC(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1C ZINC000048518427 418471845 /nfs/dbraw/zinc/47/18/45/418471845.db2.gz KXDKIXLYERKKPE-UHFFFAOYSA-N -1 0 303.409 1.601 50 30 DDEARM C[C@@H]1CC(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C[C@@H](C)C1 ZINC000585121036 422307960 /nfs/dbraw/zinc/30/79/60/422307960.db2.gz COXQOJZRLUATHX-QWRGUYRKSA-N -1 0 318.377 1.152 50 30 DDEARM Cc1ccnc([N-]S(=O)(=O)c2cn(C(C)C)cn2)c1C#N ZINC000097166245 332193742 /nfs/dbraw/zinc/19/37/42/332193742.db2.gz MPRKUPBVWVTBRN-UHFFFAOYSA-N -1 0 305.363 1.840 50 30 DDEARM C=CC/N=c1\scc([O-])n1S(=O)(=O)c1ccc(C)cc1 ZINC000012467028 518684165 /nfs/dbraw/zinc/68/41/65/518684165.db2.gz UGQLSVQUMXLDJI-YPKPFQOOSA-N -1 0 310.400 1.801 50 30 DDEARM C=CCN1C(=O)[N-]C(=O)/C(=C\c2cnn(-c3ccccc3)c2)C1=O ZINC000004754585 696011354 /nfs/dbraw/zinc/01/13/54/696011354.db2.gz OVHRSVKCDGIQGC-NTEUORMPSA-N -1 0 322.324 1.520 50 30 DDEARM CC1=CC(=O)C(=C([O-])C=Cc2cccc3c2OCO3)C(=O)O1 ZINC000102153501 696610055 /nfs/dbraw/zinc/61/00/55/696610055.db2.gz SWLBIHBPBFAEKD-GXMNPTEKSA-N -1 0 300.266 1.644 50 30 DDEARM CC1=CC(=O)C(=C([O-])C=Cc2cccc3c2OCO3)C(=O)O1 ZINC000102153509 696610059 /nfs/dbraw/zinc/61/00/59/696610059.db2.gz SWLBIHBPBFAEKD-GEXIGZQTSA-N -1 0 300.266 1.644 50 30 DDEARM C[C@H](Oc1ccccc1C#N)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000072280270 191101048 /nfs/dbraw/zinc/10/10/48/191101048.db2.gz OMGTUOWSOPSESP-NSHDSACASA-N -1 0 302.330 1.649 50 30 DDEARM N#Cc1ccccc1NC(=O)[C@H](CC(=O)[O-])NCc1ccco1 ZINC000004575924 181125891 /nfs/dbraw/zinc/12/58/91/181125891.db2.gz LITXADBGBNACOM-AWEZNQCLSA-N -1 0 313.313 1.723 50 30 DDEARM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(CC#N)cc2)c1C#N ZINC000097114311 407280979 /nfs/dbraw/zinc/28/09/79/407280979.db2.gz AKFWSLPAYKGPSB-UHFFFAOYSA-N -1 0 301.331 1.457 50 30 DDEARM COC(=O)c1c(Br)c(CC(C)C)[n-]c(=O)c1C#N ZINC000217043042 407498788 /nfs/dbraw/zinc/49/87/88/407498788.db2.gz HXIHAWZYLVLZOM-UHFFFAOYSA-N -1 0 313.151 1.994 50 30 DDEARM O=C([O-])C[C@H]1S/C(=N/N=C/c2c[nH]c3ccccc23)NC1=O ZINC000004351490 181101169 /nfs/dbraw/zinc/10/11/69/181101169.db2.gz SGQDTDYZEPGBGF-PFJSLNBISA-N -1 0 316.342 1.564 50 30 DDEARM N#Cc1cc(C(=O)OCc2c(F)cccc2Cl)c(N)[n-]c1=O ZINC000006657515 181366640 /nfs/dbraw/zinc/36/66/40/181366640.db2.gz BRSCWPYLCQDUPG-UHFFFAOYSA-N -1 0 321.695 1.978 50 30 DDEARM Cc1[nH]c(NC(=O)CSc2nnc(C)c(=O)[n-]2)c(C#N)c1C ZINC000015081424 406878786 /nfs/dbraw/zinc/87/87/86/406878786.db2.gz BDZWTAMNPSAWPF-UHFFFAOYSA-N -1 0 318.362 1.021 50 30 DDEARM N#Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2N)cc1 ZINC000095939650 407215403 /nfs/dbraw/zinc/21/54/03/407215403.db2.gz OWYNWBSHKHXKST-UHFFFAOYSA-N -1 0 318.314 1.849 50 30 DDEARM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc2c(c1)N(C)CC2 ZINC000225574985 407598028 /nfs/dbraw/zinc/59/80/28/407598028.db2.gz JIBOOYWDGOVTFX-ZDUSSCGKSA-N -1 0 308.341 1.618 50 30 DDEARM CC(C)NC(=O)C(C#N)=C([O-])c1cnn(Cc2ccccc2)c1 ZINC000130723230 407705451 /nfs/dbraw/zinc/70/54/51/407705451.db2.gz DVEOXGFDSAKOPO-OAHLLOKOSA-N -1 0 310.357 1.778 50 30 DDEARM O=C(Oc1ccc(CN=Nc2nnn[n-]2)cc1)c1cccs1 ZINC000245229065 222214777 /nfs/dbraw/zinc/21/47/77/222214777.db2.gz MGFLSCSERFWYQH-UHFFFAOYSA-N -1 0 314.330 1.926 50 30 DDEARM C[C@H]1C[C@H](NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C[C@@H](C)C1 ZINC000585121035 422307492 /nfs/dbraw/zinc/30/74/92/422307492.db2.gz COXQOJZRLUATHX-PJXYFTJBSA-N -1 0 318.377 1.152 50 30 DDEARM N#Cc1cc(I)c(-c2ccccn2)[n-]c1=O ZINC000022995888 303184777 /nfs/dbraw/zinc/18/47/77/303184777.db2.gz AEGWRZNSEPULFN-UHFFFAOYSA-N -1 0 323.093 1.913 50 30 DDEARM CCOc1ccccc1/C=N/N=C1\NC(=O)[C@@H](CC(=O)[O-])S1 ZINC000004543241 181122449 /nfs/dbraw/zinc/12/24/49/181122449.db2.gz WXCJENORKGUYAP-OXFWXOROSA-N -1 0 321.358 1.482 50 30 DDEARM O=C([O-])[C@H](CS)NC(=O)CCCc1c[nH]c2ccccc12 ZINC000005363768 181235238 /nfs/dbraw/zinc/23/52/38/181235238.db2.gz LXMVSQPUILWDOQ-ZDUSSCGKSA-N -1 0 306.387 1.990 50 30 DDEARM N#Cc1ccc(OCC(=O)N2NC=C[C@@]2(O)C(F)(F)F)cc1 ZINC000005505059 181250333 /nfs/dbraw/zinc/25/03/33/181250333.db2.gz CEGIMUOMVSMCGN-GFCCVEGCSA-N -1 0 313.235 1.406 50 30 DDEARM CCOC(=O)C(C#N)=C([O-])c1ccc(N2C(=O)CCC2=O)cc1 ZINC000000440166 406648902 /nfs/dbraw/zinc/64/89/02/406648902.db2.gz YCLDSVBXGFIRAO-LBPRGKRZSA-N -1 0 314.297 1.226 50 30 DDEARM C=CCN1C(=O)[N-]C(=O)C(=C(C)N[C@@H](C)c2ccccc2)C1=O ZINC000000533515 406653774 /nfs/dbraw/zinc/65/37/74/406653774.db2.gz JJYCENIBIIUMJN-CDZMIXDFSA-N -1 0 313.357 1.876 50 30 DDEARM C[C@@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000069282086 406694816 /nfs/dbraw/zinc/69/48/16/406694816.db2.gz HRGPOMVIIDIAAF-VXGBXAGGSA-N -1 0 313.375 1.916 50 30 DDEARM COCc1c(Br)c(C)nc(OCC(=O)[O-])c1C#N ZINC000000361659 406642204 /nfs/dbraw/zinc/64/22/04/406642204.db2.gz ZBCVUKKYCFGHFC-UHFFFAOYSA-N -1 0 315.123 1.634 50 30 DDEARM N#Cc1c2c(sc1NC(=O)c1nccnc1C(=O)[O-])CCC2 ZINC000032071536 406945121 /nfs/dbraw/zinc/94/51/21/406945121.db2.gz LFXWKIRHNQPVBD-UHFFFAOYSA-N -1 0 314.326 1.849 50 30 DDEARM C=CCS(=O)(=O)[N-]C(=O)c1cccc(-c2noc(C)n2)c1 ZINC000089718497 407144941 /nfs/dbraw/zinc/14/49/41/407144941.db2.gz ABZUXGMOMXOQJV-UHFFFAOYSA-N -1 0 307.331 1.291 50 30 DDEARM C#CCCN1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000097112675 407281207 /nfs/dbraw/zinc/28/12/07/407281207.db2.gz UELQRQHBBJKJDY-UHFFFAOYSA-N -1 0 303.318 1.082 50 30 DDEARM C[C@H](Oc1ccccc1C#N)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000261793195 163704355 /nfs/dbraw/zinc/70/43/55/163704355.db2.gz UALLMASKBLCIHG-AAEUAGOBSA-N -1 0 318.329 1.028 50 30 DDEARM Cc1cc(=O)oc2ccc(OCC(=O)[N-]S(C)(=O)=O)cc12 ZINC000048487295 418471974 /nfs/dbraw/zinc/47/19/74/418471974.db2.gz OINDEUZWRKLTRN-UHFFFAOYSA-N -1 0 311.315 1.396 50 30 DDEARM Cc1noc(C)c1C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000048508194 418472037 /nfs/dbraw/zinc/47/20/37/418472037.db2.gz QVAGVIGVHJJMNX-UHFFFAOYSA-N -1 0 319.342 1.998 50 30 DDEARM CC(=O)C1=C(C)NC(=S)N[C@H]1c1cc([N+](=O)[O-])ccc1[O-] ZINC000036184055 277932345 /nfs/dbraw/zinc/93/23/45/277932345.db2.gz UIRCKPHBIJHYNK-LBPRGKRZSA-N -1 0 307.331 1.682 50 30 DDEARM CC(C)C[C@H](NC=C1C(=O)Oc2ccccc2C1=O)C(=O)[O-] ZINC000003656341 279181070 /nfs/dbraw/zinc/18/10/70/279181070.db2.gz LFIVSPLBBFPNNJ-KGTBHZDVSA-N -1 0 303.314 1.761 50 30 DDEARM CC/C(=N\c1cccc(F)c1)c1c([O-])n(C)c(=O)n(C)c1=O ZINC000102442952 280824941 /nfs/dbraw/zinc/82/49/41/280824941.db2.gz YAXBBZSUDSXEIY-GZTJUZNOSA-N -1 0 305.309 1.460 50 30 DDEARM Cc1nn(C)c([N-]S(=O)(=O)c2cn(C(C)C)cn2)c1C#N ZINC000585129804 771962475 /nfs/dbraw/zinc/96/24/75/771962475.db2.gz XJKMQFJPUUVJKP-UHFFFAOYSA-N -1 0 308.367 1.178 50 30 DDEARM C#CCCC1(CCC(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)N=N1 ZINC000952876151 775623859 /nfs/dbraw/zinc/62/38/59/775623859.db2.gz COKPRVQFRXTBEW-AAEUAGOBSA-N -1 0 307.350 1.338 50 30 DDEARM Cn1ccc(C(=O)[N-]S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000095418607 185359574 /nfs/dbraw/zinc/35/95/74/185359574.db2.gz VAKDPWVNTZBFHJ-UHFFFAOYSA-N -1 0 319.386 1.633 50 30 DDEARM CCCCNC(=O)N=S(=O)([O-])c1ccc([N+](=O)[O-])cc1 ZINC000040116214 183037134 /nfs/dbraw/zinc/03/71/34/183037134.db2.gz MGPSBPIAKKOJQX-UHFFFAOYSA-N -1 0 301.324 1.587 50 30 DDEARM CC(C)=CC(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1 ZINC000062677743 184246974 /nfs/dbraw/zinc/24/69/74/184246974.db2.gz JOECIRRUYNZCFT-UHFFFAOYSA-N -1 0 311.363 1.466 50 30 DDEARM C[C@@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1ccccc1C#N ZINC000263528468 296635077 /nfs/dbraw/zinc/63/50/77/296635077.db2.gz VGJAECGVLUEEAD-ZYHUDNBSSA-N -1 0 308.359 1.432 50 30 DDEARM COc1ccc(-c2n[nH]c(=O)c([O-])c2N=Nc2ccccc2)cc1 ZINC000252593088 408804888 /nfs/dbraw/zinc/80/48/88/408804888.db2.gz BJFATBSQFYABIK-UHFFFAOYSA-N -1 0 322.324 1.566 50 30 DDEARM C=CCOC(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(=O)[O-] ZINC000082048570 192353341 /nfs/dbraw/zinc/35/33/41/192353341.db2.gz OCHKZNDWRJWFIE-SECBINFHSA-N -1 0 302.327 1.267 50 30 DDEARM COCC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccccc2C#N)C1 ZINC000091690325 193091481 /nfs/dbraw/zinc/09/14/81/193091481.db2.gz XKLJQTQZLJJTBL-QGZVFWFLSA-N -1 0 316.357 1.902 50 30 DDEARM CCCCn1c(=O)[nH]c([O-])c(C(=O)C=Cc2ccccc2)c1=O ZINC000016956947 182066486 /nfs/dbraw/zinc/06/64/86/182066486.db2.gz QIHYXDMBBFYFFM-MDZDMXLPSA-N -1 0 314.341 1.938 50 30 DDEARM Nc1nonc1/C(=N/[O-])Nc1ccc(F)c(Br)c1 ZINC000045253724 183491522 /nfs/dbraw/zinc/49/15/22/183491522.db2.gz ORHZJUSHZUCMKR-UHFFFAOYSA-N -1 0 316.090 1.801 50 30 in-vitro DDEARM COc1ccc(C=Nn2c(=O)c(C)n[n-]c2=S)cc1OC ZINC000005696939 256519274 /nfs/dbraw/zinc/51/92/74/256519274.db2.gz LOLUGVXVHOFXIA-VGOFMYFVSA-N -1 0 306.347 1.509 50 30 DDEARM CC(=O)C1=C(O)C(=O)N(CCCC(=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000000545765 406656257 /nfs/dbraw/zinc/65/62/57/406656257.db2.gz WABCDVAXUALJQW-CQSZACIVSA-N -1 0 321.304 1.975 50 30 DDEARM C=CCn1c(SCC(=O)[O-])nnc1-c1ccc(OC)cc1 ZINC000008487643 406787469 /nfs/dbraw/zinc/78/74/69/406787469.db2.gz PWGUDLWXVDLHOV-UHFFFAOYSA-O -1 0 306.367 1.736 50 30 DDEARM Cc1nc(=O)[n-]c(SCC(=O)NC2CCCCC2)c1C#N ZINC000012817876 406852794 /nfs/dbraw/zinc/85/27/94/406852794.db2.gz KAZCTOYFHHCPNK-UHFFFAOYSA-N -1 0 306.391 1.491 50 30 DDEARM CCOC(=O)C(N=Nc1ccc(C(=O)[O-])cc1[N+](=O)[O-])C(C)=O ZINC000013154942 406860194 /nfs/dbraw/zinc/86/01/94/406860194.db2.gz DPDLAWAKNJNJGS-PTNGSMBKSA-N -1 0 323.261 1.213 50 30 DDEARM CCCn1cc(/C=C/C(=O)c2c([O-])[nH]c(=O)sc2=O)cn1 ZINC000071785022 406842592 /nfs/dbraw/zinc/84/25/92/406842592.db2.gz ZPJXKTHJXVQEPJ-ONEGZZNKSA-N -1 0 307.331 1.005 50 30 DDEARM CCO[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1C#N ZINC000069550158 520580323 /nfs/dbraw/zinc/58/03/23/520580323.db2.gz DWSKIWNZVITAFA-OLZOCXBDSA-N -1 0 308.359 1.770 50 30 DDEARM N=C1N(c2ccccc2)C(=O)C(=N[O-])C(=O)N1c1ccccc1 ZINC000000506203 283269668 /nfs/dbraw/zinc/26/96/68/283269668.db2.gz RIZRUZJAQGQHBS-UHFFFAOYSA-N -1 0 308.297 1.831 50 30 DDEARM CCCN(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000262491221 203308371 /nfs/dbraw/zinc/30/83/71/203308371.db2.gz XMBLYMHNSAXLDP-UHFFFAOYSA-N -1 0 316.766 1.697 50 30 DDEARM N#Cc1cn(Cc2ccc(Cn3cccn3)cc2)c(=O)[n-]c1=O ZINC000058268846 184097957 /nfs/dbraw/zinc/09/79/57/184097957.db2.gz FMHYMNQMIUNDDT-UHFFFAOYSA-N -1 0 307.313 1.114 50 30 DDEARM CC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1 ZINC000062677603 184247115 /nfs/dbraw/zinc/24/71/15/184247115.db2.gz UGTKAPNOVXBDCO-VIFPVBQESA-N -1 0 313.379 1.546 50 30 DDEARM O=C([O-])c1ccc([C@@H]2C3C(=O)CCCC3=Nc3nnnn32)cc1 ZINC000012348364 304250426 /nfs/dbraw/zinc/25/04/26/304250426.db2.gz NMPWCTVONQXUHW-CYBMUJFWSA-N -1 0 311.301 1.393 50 30 DDEARM COCCN1C(=O)CC[C@H](C(=O)[O-])[C@@H]1c1cccc(C#N)c1 ZINC000069593029 406739900 /nfs/dbraw/zinc/73/99/00/406739900.db2.gz OTOHXZJLGSSDQA-ZFWWWQNUSA-N -1 0 302.330 1.569 50 30 DDEARM C=CCN1C(=O)[N-]C(=O)C(=C(CC)Nc2cccc(N)c2)C1=O ZINC000009111570 406803227 /nfs/dbraw/zinc/80/32/27/406803227.db2.gz HFXUPVJGUXAABC-OUKQBFOZSA-N -1 0 314.345 1.609 50 30 DDEARM O=C([O-])C#C[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2)C1 ZINC000864091930 706065556 /nfs/dbraw/zinc/06/55/56/706065556.db2.gz JSHXNPPXWAMGRP-LLVKDONJSA-N -1 0 311.334 1.314 50 30 DDEARM COC[C@H](C)S(=O)(=O)[N-]C(=O)/C=C\c1cccc(C#N)c1 ZINC000491845592 234312761 /nfs/dbraw/zinc/31/27/61/234312761.db2.gz LLJKTLOJLHKMNR-ZADCQDASSA-N -1 0 308.359 1.052 50 30 DDEARM C=CCn1c2nnc(SCC(=O)[O-])n2c2ccccc2c1=O ZINC000003311576 181003130 /nfs/dbraw/zinc/00/31/30/181003130.db2.gz OAPZIJNQRWNEBZ-UHFFFAOYSA-N -1 0 316.342 1.407 50 30 DDEARM N#CCCN(Cc1cccs1)C(=O)c1nccnc1C(=O)[O-] ZINC000004332787 181099079 /nfs/dbraw/zinc/09/90/79/181099079.db2.gz LJTPEQASEHSUBG-UHFFFAOYSA-N -1 0 316.342 1.792 50 30 DDEARM C=CCN(CCC#N)S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000593310998 355851563 /nfs/dbraw/zinc/85/15/63/355851563.db2.gz QCBQJYXOTRLKJX-UHFFFAOYSA-N -1 0 308.359 1.404 50 30 DDEARM N#Cc1cccc(S(=O)(=O)[N-]c2ccccc2C(N)=O)c1 ZINC000006623192 181362275 /nfs/dbraw/zinc/36/22/75/181362275.db2.gz ROJZFOSRPZTYHV-UHFFFAOYSA-N -1 0 301.327 1.458 50 30 DDEARM CCOC([O-])=NC(=O)C(=NNc1ccc(F)cc1F)C(C)=O ZINC000100326907 407307646 /nfs/dbraw/zinc/30/76/46/407307646.db2.gz GSLVVRBEBZFAOE-WOJGMQOQSA-N -1 0 313.260 1.594 50 30 DDEARM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)CC[C@@H]2CCOC2)c1 ZINC000170656447 407466146 /nfs/dbraw/zinc/46/61/46/407466146.db2.gz MCGBDTOVXFWYPD-GFCCVEGCSA-N -1 0 322.386 1.321 50 30 DDEARM N#Cc1c2c(sc1NC=C1C(=O)[N-]C(=O)NC1=O)CCCC2 ZINC000009332580 303177729 /nfs/dbraw/zinc/17/77/29/303177729.db2.gz IAOYTBYQBSWAQP-UHFFFAOYSA-N -1 0 316.342 1.160 50 30 DDEARM COc1ccccc1CC(=O)N1CCc2[n-]c(=O)c(C#N)cc2C1 ZINC000225683619 186288593 /nfs/dbraw/zinc/28/85/93/186288593.db2.gz QAIPHVTXWMLMAU-UHFFFAOYSA-N -1 0 323.352 1.383 50 30 DDEARM CCOc1ccccc1C(=O)N1CCc2[n-]c(=O)c(C#N)cc2C1 ZINC000225680943 186288829 /nfs/dbraw/zinc/28/88/29/186288829.db2.gz WMNPVLCIUVTALW-UHFFFAOYSA-N -1 0 323.352 1.844 50 30 DDEARM N#CCCN/N=C/c1cc(Br)cc([N+](=O)[O-])c1[O-] ZINC000002101227 180910398 /nfs/dbraw/zinc/91/03/98/180910398.db2.gz PVLVGPYNFXDTGZ-MKMNVTDBSA-N -1 0 313.111 1.900 50 30 DDEARM C=CCN1C(=O)[N-]C(=O)/C(=C\c2ccc(O)c(OCC)c2)C1=O ZINC000013511691 181857255 /nfs/dbraw/zinc/85/72/55/181857255.db2.gz SSEORFZTLLHNDN-DHZHZOJOSA-N -1 0 316.313 1.439 50 30 DDEARM CN(CCCc1[nH]nc(N)c1C#N)c1ncccc1C(=O)[O-] ZINC000069153780 406684913 /nfs/dbraw/zinc/68/49/13/406684913.db2.gz ZKFYBHDLYYEORT-UHFFFAOYSA-N -1 0 300.322 1.026 50 30 DDEARM COCCN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1cccc(C#N)c1 ZINC000069593016 406740674 /nfs/dbraw/zinc/74/06/74/406740674.db2.gz OTOHXZJLGSSDQA-UKRRQHHQSA-N -1 0 302.330 1.569 50 30 DDEARM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(F)cc1C#N ZINC000124585128 407362721 /nfs/dbraw/zinc/36/27/21/407362721.db2.gz JHFZDSVOXJPWKL-UHFFFAOYSA-N -1 0 308.338 1.849 50 30 DDEARM CCc1ocnc1C(=O)[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000170635725 407459884 /nfs/dbraw/zinc/45/98/84/407459884.db2.gz BOGZJHQZTPFWPZ-UHFFFAOYSA-N -1 0 319.342 1.536 50 30 DDEARM Cn1c(=O)[nH]cc(C(=O)C=Cc2cccc(C(=O)[O-])c2)c1=O ZINC000606443795 422460105 /nfs/dbraw/zinc/46/01/05/422460105.db2.gz MDIGVIHWDUBHCX-WAYWQWQTSA-N -1 0 300.270 1.080 50 30 DDEARM CC/C(=N\c1ccc(F)cc1)c1c([O-])n(C)c(=O)n(C)c1=O ZINC000102442981 280824802 /nfs/dbraw/zinc/82/48/02/280824802.db2.gz MODHLXHFTSUXCP-GZTJUZNOSA-N -1 0 305.309 1.460 50 30 DDEARM COc1ccc(C(=O)/C=C/c2cnn(C)c2)cc1CC(=O)[O-] ZINC000044894827 696169299 /nfs/dbraw/zinc/16/92/99/696169299.db2.gz CZWYVCNSSNAAIY-HWKANZROSA-N -1 0 300.314 1.952 50 30 DDEARM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cc(Cl)ccc1C#N ZINC000278573904 214246591 /nfs/dbraw/zinc/24/65/91/214246591.db2.gz NYHOQBLQXNMENE-MRVPVSSYSA-N -1 0 315.782 1.430 50 30 DDEARM C=CCN(CC(=O)[O-])C(=O)c1cc(Br)cn1CC ZINC000092462455 185320234 /nfs/dbraw/zinc/32/02/34/185320234.db2.gz SQZDAIXRGMACGI-UHFFFAOYSA-N -1 0 315.167 1.983 50 30 DDEARM CC(C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000078556567 191884939 /nfs/dbraw/zinc/88/49/39/191884939.db2.gz GCXCMFCVOHMDBE-NSHDSACASA-N -1 0 302.396 1.330 50 30 DDEARM N#Cc1cc(S(=O)(=O)N(CC(=O)[O-])C2CCC2)ccc1F ZINC000593945471 356070331 /nfs/dbraw/zinc/07/03/31/356070331.db2.gz NYAZOSGYXBCJIS-UHFFFAOYSA-N -1 0 312.322 1.325 50 30 DDEARM C=CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2c[nH]c(=O)c(Cl)c2)C1 ZINC000092097157 193157291 /nfs/dbraw/zinc/15/72/91/193157291.db2.gz BPNQKGQOXDDGOE-OAHLLOKOSA-N -1 0 324.764 1.911 50 30 DDEARM CC(C)C[C@@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)C(=O)[O-] ZINC000263024557 203429559 /nfs/dbraw/zinc/42/95/59/203429559.db2.gz BGLNWZMDLLEIBL-GFCCVEGCSA-N -1 0 314.338 1.475 50 30 DDEARM CC(=O)C1=C(O)C(=O)N(CCCC(=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000000545764 406657319 /nfs/dbraw/zinc/65/73/19/406657319.db2.gz WABCDVAXUALJQW-AWEZNQCLSA-N -1 0 321.304 1.975 50 30 DDEARM COc1cc(/C=N/Nc2nc(=O)c(C)n[n-]2)ccc1OC(C)C ZINC000008833826 406798084 /nfs/dbraw/zinc/79/80/84/406798084.db2.gz OOJLAQMVVWEJPA-LZYBPNLTSA-N -1 0 317.349 1.715 50 30 DDEARM C=C(C)COc1cccc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])c1 ZINC000055060806 407193683 /nfs/dbraw/zinc/19/36/83/407193683.db2.gz SOHCJNJSYYCCDF-AWEZNQCLSA-N -1 0 319.357 1.957 50 30 DDEARM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3nn(C)cc3C#N)ccc2O1 ZINC000123379485 407327433 /nfs/dbraw/zinc/32/74/33/407327433.db2.gz IZZBLDZPQXTARW-VIFPVBQESA-N -1 0 318.358 1.416 50 30 DDEARM N#Cc1cccc(S(=O)(=O)[N-]C(=O)c2sccc2F)c1 ZINC000253417038 407442819 /nfs/dbraw/zinc/44/28/19/407442819.db2.gz GSRWSWUCZDXOQR-UHFFFAOYSA-N -1 0 310.331 1.878 50 30 DDEARM N#Cc1cn(CCc2ccc(-n3cccn3)cc2)c(=O)[n-]c1=O ZINC000048229427 418466505 /nfs/dbraw/zinc/46/65/05/418466505.db2.gz YBGKFIGAVLKILW-UHFFFAOYSA-N -1 0 307.313 1.249 50 30 DDEARM COCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)CCC2 ZINC000103502827 418496567 /nfs/dbraw/zinc/49/65/67/418496567.db2.gz FDEBIAUQWVCFPF-OAHLLOKOSA-N -1 0 300.358 1.650 50 30 DDEARM C=CCOC(=O)c1[nH]c2c(c1C)C([O-])=C(C(=O)OC)[C@H](C)C2 ZINC000002499364 277873653 /nfs/dbraw/zinc/87/36/53/277873653.db2.gz WDEOGJQPVWYFDC-KCJUWKMLSA-N -1 0 305.330 1.830 50 30 DDEARM COc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1OC ZINC000003095542 295052401 /nfs/dbraw/zinc/05/24/01/295052401.db2.gz ZVMHOGGYUSRRSF-MQDFFIGUSA-N -1 0 316.309 1.932 50 30 DDEARM CCOC(=O)C1=C(C)NC(=Cc2ccc(C(=O)[O-])cc2)C1=O ZINC000033296229 520478249 /nfs/dbraw/zinc/47/82/49/520478249.db2.gz KJJNUHQGDBEHIK-WQLSENKSSA-N -1 0 301.298 1.735 50 30 DDEARM CCc1ccccc1OCC(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000048648585 521915292 /nfs/dbraw/zinc/91/52/92/521915292.db2.gz SSTGKPXGCBAQCM-UHFFFAOYSA-N -1 0 323.374 1.707 50 30 DDEARM Cc1nn(C)c(C)c1C=CC(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000078556488 527602628 /nfs/dbraw/zinc/60/26/28/527602628.db2.gz DGROGABUNXNMQV-AATRIKPKSA-N -1 0 323.378 1.129 50 30 DDEARM Cn1c2ccc(C(=O)[N-]S(C)(=O)=O)cc2nc1C(F)(F)F ZINC000076758468 185038623 /nfs/dbraw/zinc/03/86/23/185038623.db2.gz GZLVBUDXOBQZGE-UHFFFAOYSA-N -1 0 321.280 1.856 50 30 DDEARM C=CCOc1ccc(C(=O)N[C@H](C)c2nnn[n-]2)cc1OCC ZINC000055369765 407201810 /nfs/dbraw/zinc/20/18/10/407201810.db2.gz RBVWDWMRWAMURJ-SNVBAGLBSA-N -1 0 317.349 1.654 50 30 DDEARM CCCN(CC(=O)[O-])S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000362248413 266043856 /nfs/dbraw/zinc/04/38/56/266043856.db2.gz CQAGAKCGJRIEFU-UHFFFAOYSA-N -1 0 314.338 1.324 50 30 DDEARM C=CCNC(=S)NN=Cc1cc([N+](=O)[O-])cc(OC)c1[O-] ZINC000001789292 180896616 /nfs/dbraw/zinc/89/66/16/180896616.db2.gz ZMLPWLFMMXORLX-VGOFMYFVSA-N -1 0 310.335 1.704 50 30 DDEARM C=CCOc1ccc(-c2nnn(CC(=O)[O-])n2)cc1OCC ZINC000004770251 181149583 /nfs/dbraw/zinc/14/95/83/181149583.db2.gz OGDPTMFLNBQYIP-UHFFFAOYSA-N -1 0 304.306 1.388 50 30 DDEARM C/C(=N\N=C1/NC(=O)[C@@H](CC(=O)[O-])S1)c1ccccc1O ZINC000005151613 181210041 /nfs/dbraw/zinc/21/00/41/181210041.db2.gz TUQGIQKVZLEHMX-MIJYTDESSA-N -1 0 307.331 1.179 50 30 DDEARM C=CCN1C(=O)[N-]C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000006780781 181387458 /nfs/dbraw/zinc/38/74/58/181387458.db2.gz FLHSHMFMLZHDRX-FLIBITNWSA-N -1 0 301.258 1.447 50 30 DDEARM COc1ccc(CCn2c([O-])cc(C)c(C#N)c2=O)cc1OC ZINC000006881231 181399872 /nfs/dbraw/zinc/39/98/72/181399872.db2.gz UHSGTVVDGNGTKC-UHFFFAOYSA-N -1 0 314.341 1.994 50 30 DDEARM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1ccc(C#N)cc1 ZINC000002518286 406691386 /nfs/dbraw/zinc/69/13/86/406691386.db2.gz ANKVSTYQCCCVHX-NEPJUHHUSA-N -1 0 306.318 1.570 50 30 DDEARM COc1ccc(/C(C)=N/N=C2\NC(=O)C[C@H](C(=O)[O-])S2)cc1 ZINC000013136324 406859103 /nfs/dbraw/zinc/85/91/03/406859103.db2.gz GGGAIFBVFDAWTG-FNQVVVRFSA-N -1 0 321.358 1.482 50 30 DDEARM CN1CCN(Cc2ccc(C#CC(C)(C)O)s2)C[C@@H]1C(=O)[O-] ZINC000106685606 407361044 /nfs/dbraw/zinc/36/10/44/407361044.db2.gz MRVOXMFSOQVSDI-CQSZACIVSA-N -1 0 322.430 1.071 50 30 DDEARM COc1ccc(C(=O)/C=C\c2cnnn2C)cc1CC(=O)[O-] ZINC000606443677 422460141 /nfs/dbraw/zinc/46/01/41/422460141.db2.gz RXLQQSJOVMFYRK-PLNGDYQASA-N -1 0 301.302 1.347 50 30 DDEARM C#CCN1C(=O)S/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C1=O ZINC000012342664 190635248 /nfs/dbraw/zinc/63/52/48/190635248.db2.gz VXOBUURJVCGZEA-YRNVUSSQSA-N -1 0 304.283 1.970 50 30 DDEARM C#CCN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2[O-])C1=O ZINC000004550178 181124022 /nfs/dbraw/zinc/12/40/22/181124022.db2.gz IAXXIOYQLHVTMU-XFFZJAGNSA-N -1 0 304.283 1.970 50 30 DDEARM CC(=O)/C(=N/[O-])Sc1nnc2c3ccccc3n(C)c2n1 ZINC000004676242 181135553 /nfs/dbraw/zinc/13/55/53/181135553.db2.gz JQAGPTPHYAOUTK-ATVHPVEESA-N -1 0 301.331 1.985 50 30 DDEARM O=C([O-])CNC(=O)c1ccc(C#CC2(O)CCCCC2)cc1 ZINC000001442703 304069523 /nfs/dbraw/zinc/06/95/23/304069523.db2.gz RNHOOOPAENUSSY-UHFFFAOYSA-N -1 0 301.342 1.548 50 30 DDEARM Cc1c(C(=O)N2CC[C@](C)(O)C(C)(C)C2)c[n-]c(=O)c1C#N ZINC000091952375 193131041 /nfs/dbraw/zinc/13/10/41/193131041.db2.gz BHRLDYJSOPBBRT-INIZCTEOSA-N -1 0 303.362 1.178 50 30 DDEARM Cc1n[n-]c(N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)nc1=O ZINC000016974244 182067377 /nfs/dbraw/zinc/06/73/77/182067377.db2.gz TYJXYOANXFRADL-WLRTZDKTSA-N -1 0 308.685 1.481 50 30 DDEARM COc1ccc(C=NNC2=NC(=O)C[C@H](C(=O)[O-])S2)cc1 ZINC000000501392 406653115 /nfs/dbraw/zinc/65/31/15/406653115.db2.gz MQCWMOANSNWFSI-FBWGLTFQSA-N -1 0 307.331 1.091 50 30 DDEARM C=CCc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(OC)c1OC ZINC000002829208 406700570 /nfs/dbraw/zinc/70/05/70/406700570.db2.gz QVOAEQINMXBFIO-UHFFFAOYSA-N -1 0 316.313 1.182 50 30 DDEARM COc1ccc(OC)c(/N=C(\C)c2c([O-])[nH]c(=O)sc2=O)c1 ZINC000096234369 407254310 /nfs/dbraw/zinc/25/43/10/407254310.db2.gz ROGZCEUEUAEFFN-VIZOYTHASA-N -1 0 322.342 1.660 50 30 DDEARM N#Cc1cccc(/C=C/C(=O)[N-]S(=O)(=O)Cc2ccon2)c1 ZINC000170649751 407463014 /nfs/dbraw/zinc/46/30/14/407463014.db2.gz HSXRILZIQYCDGP-SNAWJCMRSA-N -1 0 317.326 1.206 50 30 DDEARM N=c1[n-]nc(CCNC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)o1 ZINC000329099313 410099330 /nfs/dbraw/zinc/09/93/30/410099330.db2.gz MFJWBHLEYAYYPM-MRVPVSSYSA-N -1 0 321.303 1.425 50 30 DDEARM CC(C)(C)C(=O)NCCC(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000042323281 418420831 /nfs/dbraw/zinc/42/08/31/418420831.db2.gz NIBDGUVTCSMCHO-UHFFFAOYSA-N -1 0 313.379 1.279 50 30 DDEARM CCn1c(=O)c2ccc(C(=O)N[C@H](C)CC#N)cc2[n-]c1=S ZINC000103469577 418496105 /nfs/dbraw/zinc/49/61/05/418496105.db2.gz FSHHGBPZKGUCPB-SECBINFHSA-N -1 0 316.386 1.737 50 30 DDEARM C[C@@H](Oc1cccc(C#N)c1)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000408513483 418805953 /nfs/dbraw/zinc/80/59/53/418805953.db2.gz CRGYNWRQUVNDBR-RISCZKNCSA-N -1 0 318.329 1.028 50 30 DDEARM O=C([O-])/C(Cl)=C(Cl)\C=N/NS(=O)(=O)c1ccccc1 ZINC000109700154 353957561 /nfs/dbraw/zinc/95/75/61/353957561.db2.gz XBUYRYCZCKMAEN-CMNHTPMESA-N -1 0 323.157 1.725 50 30 DDEARM COc1ccc(C=NNc2nnc(C(C)(C)C)c(=O)[n-]2)cc1O ZINC000004136558 181077023 /nfs/dbraw/zinc/07/70/23/181077023.db2.gz KAUNQAPUEHHKPK-LZYBPNLTSA-N -1 0 317.349 1.623 50 30 DDEARM C/N=C1\S/C(=C/c2ccc(OCC(=O)[O-])cc2)C(=O)N1C ZINC000004704693 181140474 /nfs/dbraw/zinc/14/04/74/181140474.db2.gz KGYQQFCYDKENCF-XBOVJTPTSA-N -1 0 306.343 1.682 50 30 DDEARM C=CCNc1ccccc1C(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000055309863 183978737 /nfs/dbraw/zinc/97/87/37/183978737.db2.gz ZAPJJSYFCYBCDP-GFCCVEGCSA-N -1 0 304.346 1.600 50 30 DDEARM N#Cc1nc2[n-]c(SCC(=O)c3ccccc3)nc(N)c-2n1 ZINC000001237420 406664798 /nfs/dbraw/zinc/66/47/98/406664798.db2.gz JCQBZMJKTRPACH-UHFFFAOYSA-N -1 0 310.342 1.782 50 30 DDEARM Cc1cc(S(=O)(=O)[N-]C(=O)c2cnn(C)c2)c(F)cc1F ZINC000096461322 407269802 /nfs/dbraw/zinc/26/98/02/407269802.db2.gz OZMGBKPDTVPALQ-UHFFFAOYSA-N -1 0 315.301 1.700 50 30 DDEARM CC(C)CNC(=O)C(C#N)=C([O-])c1cccc(-n2ccnn2)c1 ZINC000101796016 418494714 /nfs/dbraw/zinc/49/47/14/418494714.db2.gz YCIGWSQBETYXCO-AWEZNQCLSA-N -1 0 311.345 1.362 50 30 DDEARM C=CCOc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1OCC ZINC000004093718 181072960 /nfs/dbraw/zinc/07/29/60/181072960.db2.gz QKAABMWXPUWYIW-UHFFFAOYSA-N -1 0 316.313 1.400 50 30 DDEARM O=C(NCc1ccccc1)c1n[n-]n(N=Cc2ccccc2)c1=O ZINC000006061272 181309460 /nfs/dbraw/zinc/30/94/60/181309460.db2.gz IUEUAGSAKLYEOS-XDHOZWIPSA-N -1 0 321.340 1.796 50 30 DDEARM Cc1ccc(S(=O)(=O)[N-]C(=O)N=c2sccn2C)cc1 ZINC000091302328 193035550 /nfs/dbraw/zinc/03/55/50/193035550.db2.gz BMGYZSQSASXYTH-SEYXRHQNSA-N -1 0 311.388 1.599 50 30 DDEARM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000048474632 183661140 /nfs/dbraw/zinc/66/11/40/183661140.db2.gz UDRFBWZVTIQLOD-UHFFFAOYSA-N -1 0 314.363 1.647 50 30 DDEARM C=C(C)COc1ccc([C@]2(C)NC(=O)N(CC(=O)[O-])C2=O)cc1 ZINC000057842314 184056348 /nfs/dbraw/zinc/05/63/48/184056348.db2.gz GMGYGHBIRWERJZ-INIZCTEOSA-N -1 0 318.329 1.493 50 30 DDEARM Cn1cc(C([O-])=C(C#N)c2nnc(-c3ccccc3)n2C)cn1 ZINC000058265795 184096804 /nfs/dbraw/zinc/09/68/04/184096804.db2.gz VEDKUGKEJAZCDI-CYBMUJFWSA-N -1 0 306.329 1.706 50 30 DDEARM Cc1[n-]n(C(N)=S)c(=O)c1[C@H](c1ccccc1)C(C#N)C#N ZINC000100007266 407306945 /nfs/dbraw/zinc/30/69/45/407306945.db2.gz VXKQOLSLWBQYHW-CYBMUJFWSA-N -1 0 311.370 1.784 50 30 DDEARM CS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)c1cccs1 ZINC000048478919 418472253 /nfs/dbraw/zinc/47/22/53/418472253.db2.gz UPQAJYMELGPPDD-MRVPVSSYSA-N -1 0 302.377 1.269 50 30 DDEARM CNC(=O)C(C#N)=C([O-])c1cnn(-c2ccccc2Cl)c1 ZINC000103726881 418496293 /nfs/dbraw/zinc/49/62/93/418496293.db2.gz QIZMOTKOYHZWSN-SNVBAGLBSA-N -1 0 302.721 1.594 50 30 DDEARM Cc1nc(NC(=O)CN2CCC[C@H](C#N)C2)sc1C(=O)[O-] ZINC000299777947 302602787 /nfs/dbraw/zinc/60/27/87/302602787.db2.gz IDFGQUSIPWHFHU-SECBINFHSA-N -1 0 308.363 1.324 50 30 DDEARM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1nccc2ccccc21 ZINC000073839004 483944444 /nfs/dbraw/zinc/94/44/44/483944444.db2.gz IOFGXTARPPZTQH-JTQLQIEISA-N -1 0 308.359 1.904 50 30 DDEARM C#CCCC1(CCC(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)N=N1 ZINC000952876154 775623496 /nfs/dbraw/zinc/62/34/96/775623496.db2.gz COKPRVQFRXTBEW-YPMHNXCESA-N -1 0 307.350 1.338 50 30 DDEARM Cc1ccc(S(=O)([O-])=NC(=O)NCCc2ccccn2)cc1 ZINC000019927587 352169595 /nfs/dbraw/zinc/16/95/95/352169595.db2.gz LGQWVFKFPUNYCG-UHFFFAOYSA-N -1 0 319.386 1.825 50 30 DDEARM CC(C)OCCC(=O)[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000160083270 354237161 /nfs/dbraw/zinc/23/71/61/354237161.db2.gz IPAQPNFZBDAQJD-UHFFFAOYSA-N -1 0 314.338 1.317 50 30 DDEARM CCOc1ccc(/C=N\N=C2\NC(=O)[C@@H](CC(=O)[O-])S2)cc1 ZINC000004795773 181153416 /nfs/dbraw/zinc/15/34/16/181153416.db2.gz WVIICWILKCVGKW-SHLUWWQESA-N -1 0 321.358 1.482 50 30 DDEARM O=C1[N-]C(=S)NC(=O)C1=NNc1ccc(-c2ccccc2)cc1 ZINC000005687437 181272691 /nfs/dbraw/zinc/27/26/91/181272691.db2.gz RYHIUCFOHVBNKU-UHFFFAOYSA-N -1 0 324.365 1.652 50 30 DDEARM CNc1nc(N=NCc2cc([N+](=O)[O-])ccc2[O-])ncc1F ZINC000023382730 182359462 /nfs/dbraw/zinc/35/94/62/182359462.db2.gz BWLYQRZSFBIOQQ-FZSIALSZSA-N -1 0 306.257 1.717 50 30 DDEARM C[C@H](Oc1ccccc1C#N)C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000072280272 299570051 /nfs/dbraw/zinc/57/00/51/299570051.db2.gz BYVCHBJBNKBQON-WCQYABFASA-N -1 0 302.330 1.791 50 30 DDEARM C=CCN1C(=O)[N-]C(=O)C(=C(C)NCC[NH+]2CCCCC2)C1=O ZINC000001274229 406666086 /nfs/dbraw/zinc/66/60/86/406666086.db2.gz DHPJBWNDXCQFCR-SEYXRHQNSA-N -1 0 320.393 1.441 50 30 DDEARM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccccc1C#N ZINC000067245099 407269715 /nfs/dbraw/zinc/26/97/15/407269715.db2.gz OCPNEWWBHPBYPD-UHFFFAOYSA-N -1 0 320.330 1.259 50 30 DDEARM C=CCc1cc(C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])ccc1OC ZINC000534585420 334291732 /nfs/dbraw/zinc/29/17/32/334291732.db2.gz HQRTZUOBKJTQJF-OLZOCXBDSA-N -1 0 305.330 1.084 50 30 DDEARM Cn1cc(C#N)cc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000083766386 483984458 /nfs/dbraw/zinc/98/44/58/483984458.db2.gz LTHDQBZFPVVCEX-NSHDSACASA-N -1 0 311.363 1.100 50 30 DDEARM CCOc1cc(C=Nn2cn[nH]c2=S)cc([N+](=O)[O-])c1[O-] ZINC000034738829 520643817 /nfs/dbraw/zinc/64/38/17/520643817.db2.gz BSUAXDFXXYNWAN-WLRTZDKTSA-N -1 0 309.307 1.835 50 30 DDEARM COc1cc(C(=O)[O-])ccc1OCC(=O)N[C@@](C)(C#N)C1CC1 ZINC000013420027 522170210 /nfs/dbraw/zinc/17/02/10/522170210.db2.gz RJLYHKDHHQBBNS-INIZCTEOSA-N -1 0 318.329 1.581 50 30 DDEARM C#CCOC(=O)c1ccccc1C(=O)N[C@@H](CCCC)C(=O)[O-] ZINC000004537831 181120955 /nfs/dbraw/zinc/12/09/55/181120955.db2.gz VLRVASZJEITUCK-AWEZNQCLSA-N -1 0 317.341 1.850 50 30 DDEARM CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C2CCCCCC2)C1 ZINC000078611884 191895851 /nfs/dbraw/zinc/89/58/51/191895851.db2.gz FCOIIZZJIXRHAL-SNVBAGLBSA-N -1 0 302.396 1.474 50 30 DDEARM O=C([O-])c1ccccc1/N=C1\NS(=O)(=O)c2ccccc21 ZINC000004633398 304267074 /nfs/dbraw/zinc/26/70/74/304267074.db2.gz SSUZPRZTWRFTLE-UHFFFAOYSA-N -1 0 302.311 1.755 50 30 DDEARM COC(=O)c1ccc(/N=C2/S[C@@H](C(=O)[O-])CC(=O)N2C)cc1 ZINC000100279953 292006409 /nfs/dbraw/zinc/00/64/09/292006409.db2.gz DNWGAQNZOYSHQO-KDGRRTAISA-N -1 0 322.342 1.509 50 30 DDEARM COc1ccc(/C(C)=N\N=C2\NC(=O)[C@@H](CC(=O)[O-])S2)cc1 ZINC000001198897 406664632 /nfs/dbraw/zinc/66/46/32/406664632.db2.gz QIOOUWZCADDWBS-OUZNOSRWSA-N -1 0 321.358 1.482 50 30 DDEARM COc1cc(C=NNc2nnc(C(C)(C)C)c(=O)[n-]2)ccc1O ZINC000027525694 406910805 /nfs/dbraw/zinc/91/08/05/406910805.db2.gz CDCGDLKBKYAKLP-LZYBPNLTSA-N -1 0 317.349 1.623 50 30 DDEARM CCCN(C)c1ccc(C([O-])=C(C#N)C(=O)NCCOC)cc1 ZINC000101186693 418493988 /nfs/dbraw/zinc/49/39/88/418493988.db2.gz HSVZZOCQQPCVKN-HNNXBMFYSA-N -1 0 317.389 1.618 50 30 DDEARM C/C(=N\c1ccc2c(c1)CCC2)c1c([O-])n(C)c(=O)n(C)c1=O ZINC000101161113 277732084 /nfs/dbraw/zinc/73/20/84/277732084.db2.gz SNIVINKGLOATLY-VCHYOVAHSA-N -1 0 313.357 1.419 50 30 DDEARM CCN(CC)S(=O)(=O)[N-]C(=O)c1cccc(C(=O)OC)c1 ZINC000078984780 185140329 /nfs/dbraw/zinc/14/03/29/185140329.db2.gz GNBPZVFZCFOSEO-UHFFFAOYSA-N -1 0 314.363 1.364 50 30 DDEARM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCc2ccc(C#N)c(F)c2)C1 ZINC000263373703 539276066 /nfs/dbraw/zinc/27/60/66/539276066.db2.gz WDVWFVFUKKCCDK-GXFFZTMASA-N -1 0 319.336 1.950 50 30 DDEARM COc1cccc(/C(C)=N/N=C2\NC(=O)[C@@H](CC(=O)[O-])S2)c1 ZINC000004472777 181111487 /nfs/dbraw/zinc/11/14/87/181111487.db2.gz WFUUDTJOKKEOMJ-FNQVVVRFSA-N -1 0 321.358 1.482 50 30 DDEARM COC(=O)c1ccc(CN2C(=O)/C(=N\[O-])c3ccccc32)o1 ZINC000013718514 181883272 /nfs/dbraw/zinc/88/32/72/181883272.db2.gz AJYRVGLRYFRTRH-SSZFMOIBSA-N -1 0 300.270 1.791 50 30 DDEARM COC(=O)c1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1 ZINC000105639693 194117114 /nfs/dbraw/zinc/11/71/14/194117114.db2.gz PCIJAHIZZCTVCY-GTBONMDNSA-N -1 0 314.293 1.701 50 30 DDEARM C=CCOC(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002583973 221449078 /nfs/dbraw/zinc/44/90/78/221449078.db2.gz UAHHMBPTDNIRIB-SECBINFHSA-N -1 0 302.327 1.267 50 30 DDEARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000000035546 406614963 /nfs/dbraw/zinc/61/49/63/406614963.db2.gz YVNIHHKKDRSVSU-UHFFFAOYSA-N -1 0 310.253 1.853 50 30 DDEARM CC(C)C[C@@H](NC=C1C(=O)Oc2ccccc2C1=O)C(=O)[O-] ZINC000003656343 406718681 /nfs/dbraw/zinc/71/86/81/406718681.db2.gz LFIVSPLBBFPNNJ-NXIHDVOMSA-N -1 0 303.314 1.761 50 30 DDEARM N#CC(C(=O)[C@@H]1CC(=O)N(CC2CC2)C1)=C([O-])c1ccccc1 ZINC000100827959 418493388 /nfs/dbraw/zinc/49/33/88/418493388.db2.gz VICXGEKRTLYUMN-HUUCEWRRSA-N -1 0 310.353 1.837 50 30 DDEARM CCN(CC)c1ccc(C=C2C(=O)[N-]C(=O)N=C2NN)cc1 ZINC000025559190 520880040 /nfs/dbraw/zinc/88/00/40/520880040.db2.gz KVXNYHZDYIHXPG-FMIVXFBMSA-N -1 0 301.350 1.232 50 30 DDEARM Nc1nn(-c2ccccc2)c(N)c1N=Nc1ccc(C(=O)[O-])cc1 ZINC000025174048 526839005 /nfs/dbraw/zinc/83/90/05/526839005.db2.gz QOPOFAUWJKHBME-RQBDYEQRSA-N -1 0 322.328 1.922 50 30 DDEARM C#CCCC1(CCC(=O)N2C[C@H](OC)C[C@]2(C)C(=O)[O-])N=N1 ZINC000952876464 775625468 /nfs/dbraw/zinc/62/54/68/775625468.db2.gz RPBUCNSBJCAOAH-BXUZGUMPSA-N -1 0 307.350 1.433 50 30 DDEARM CCN(CC)S(=O)(=O)[N-]C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000078984798 185140151 /nfs/dbraw/zinc/14/01/51/185140151.db2.gz JATVSFUVFKGTQH-UHFFFAOYSA-N -1 0 315.351 1.794 50 30 DDEARM Cc1nn(-c2ccccn2)c2c1-c1[n-]c(=O)c(C#N)cc1CC2 ZINC000004632332 282251025 /nfs/dbraw/zinc/25/10/25/282251025.db2.gz CXQBPFBUKUBEMY-UHFFFAOYSA-N -1 0 303.325 1.901 50 30 DDEARM CSCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000083990622 192394506 /nfs/dbraw/zinc/39/45/06/192394506.db2.gz HIDXNCBBYBWLCW-UHFFFAOYSA-N -1 0 317.388 1.856 50 30 DDEARM COc1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1OC ZINC000103502642 221493608 /nfs/dbraw/zinc/49/36/08/221493608.db2.gz RKLFCCTUUSOMMK-LBPRGKRZSA-N -1 0 302.330 1.649 50 30 DDEARM NN=C(Cc1nnc(-c2ccccc2N)[n-]c1=O)c1ccccc1 ZINC000254566219 407467834 /nfs/dbraw/zinc/46/78/34/407467834.db2.gz HTNYKZYBUHCZOP-UHFFFAOYSA-N -1 0 320.356 1.732 50 30 DDEARM Cc1[nH]nc([N-]S(=O)(=O)c2cccc3nsnc32)c1C#N ZINC000192835520 222136124 /nfs/dbraw/zinc/13/61/24/222136124.db2.gz HCWIHGPNZQOBAY-UHFFFAOYSA-N -1 0 320.359 1.395 50 30 DDEARM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C1(C#N)CCOCC1 ZINC000262504230 222284772 /nfs/dbraw/zinc/28/47/72/222284772.db2.gz IWBPVOPSYBOITL-UHFFFAOYSA-N -1 0 318.329 1.717 50 30 DDEARM CCC(CC)CS(=O)(=O)[N-]C(=O)CCN1C(=O)CCC1=O ZINC000079037097 521535284 /nfs/dbraw/zinc/53/52/84/521535284.db2.gz JIIJVDIMLAEQBZ-UHFFFAOYSA-N -1 0 318.395 1.248 50 30 DDEARM O=C([O-])C#C[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2)C1 ZINC000864091931 706065554 /nfs/dbraw/zinc/06/55/54/706065554.db2.gz JSHXNPPXWAMGRP-NSHDSACASA-N -1 0 311.334 1.314 50 30 DDEARM CC(=O)C1=C(O)C(=O)N(CCC(=O)[O-])[C@@H]1c1cccc(F)c1 ZINC000000074419 180684393 /nfs/dbraw/zinc/68/43/93/180684393.db2.gz NGTYTXCQYVNIKK-CYBMUJFWSA-N -1 0 307.277 1.585 50 30 DDEARM Ic1cccc(CN=Nc2nnn[n-]2)c1 ZINC000004416094 181108270 /nfs/dbraw/zinc/10/82/70/181108270.db2.gz BCRNLDZFNNOAFQ-BJMVGYQFSA-N -1 0 314.090 1.250 50 30 DDEARM O=C([O-])C[C@H]1S/C(=N/N=C2\CCCc3ccccc32)NC1=O ZINC000004520951 181119773 /nfs/dbraw/zinc/11/97/73/181119773.db2.gz TZKUZSJGLPOSLB-PBSOMRJOSA-N -1 0 317.370 1.789 50 30 DDEARM N#Cc1ccccc1NC(=O)C[C@H](NCc1ccco1)C(=O)[O-] ZINC000004484320 181112829 /nfs/dbraw/zinc/11/28/29/181112829.db2.gz LPJIGBHOMXMUQX-AWEZNQCLSA-N -1 0 313.313 1.723 50 30 DDEARM COc1ccc(/C(C)=N/N=C2/NC(=O)[C@@H](CC(=O)[O-])S2)cc1 ZINC000004718974 181141845 /nfs/dbraw/zinc/14/18/45/181141845.db2.gz QIOOUWZCADDWBS-FNQVVVRFSA-N -1 0 321.358 1.482 50 30 DDEARM N#Cc1cccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)c1 ZINC000275370519 212294952 /nfs/dbraw/zinc/29/49/52/212294952.db2.gz YOFKJGUKWPPKJN-AULYBMBSSA-N -1 0 322.386 1.728 50 30 DDEARM CCn1cc(S(=O)(=O)[N-]C(=O)c2cccc(F)n2)nc1C ZINC000096013450 221480734 /nfs/dbraw/zinc/48/07/34/221480734.db2.gz UEFPZNZLAIGTBK-UHFFFAOYSA-N -1 0 312.326 1.439 50 30 DDEARM COc1ccc(C=NNC2=NC(=O)C[C@@H](C(=O)[O-])S2)cc1 ZINC000000501390 406653402 /nfs/dbraw/zinc/65/34/02/406653402.db2.gz MQCWMOANSNWFSI-UQDQQJHMSA-N -1 0 307.331 1.091 50 30 DDEARM N#Cc1ccccc1-c1ccc(C=C2C(=O)[N-]C(=O)NC2=O)o1 ZINC000009234423 406805833 /nfs/dbraw/zinc/80/58/33/406805833.db2.gz JLWXSJWGJFHPET-UHFFFAOYSA-N -1 0 307.265 1.568 50 30 DDEARM Cc1nc2c(C#N)c[n-]n2c(=O)c1CC(=O)N[C@@H](C)C(C)C ZINC000048252301 418466678 /nfs/dbraw/zinc/46/66/78/418466678.db2.gz AXMGNBMWKGAOPD-VIFPVBQESA-N -1 0 301.350 1.318 50 30 DDEARM CNC(=O)C(C#N)=C([O-])c1cnn(-c2ccccc2Cl)c1 ZINC000103726876 418496399 /nfs/dbraw/zinc/49/63/99/418496399.db2.gz QIZMOTKOYHZWSN-JTQLQIEISA-N -1 0 302.721 1.594 50 30 DDEARM CC(C)(O)C#Cc1cccc(C(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000020206853 278635381 /nfs/dbraw/zinc/63/53/81/278635381.db2.gz HEBHESDCPXSAMD-AWEZNQCLSA-N -1 0 301.342 1.498 50 30 DDEARM N#Cc1cnn2c1nc(-c1ccc3c(c1)OCO3)cc2C(=O)[O-] ZINC000036615734 303214632 /nfs/dbraw/zinc/21/46/32/303214632.db2.gz RPIMVFIFEXJCOR-UHFFFAOYSA-N -1 0 308.253 1.695 50 30 DDEARM CCCc1cc(=O)[nH]c(NN=Cc2ccc([O-])c([N+](=O)[O-])c2)n1 ZINC000032511878 521344215 /nfs/dbraw/zinc/34/42/15/521344215.db2.gz NRQSNVLLHSXYHS-OVCLIPMQSA-N -1 0 317.305 1.782 50 30 DDEARM N#Cc1c[nH]nc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000084490229 353723380 /nfs/dbraw/zinc/72/33/80/353723380.db2.gz DGSBWAKMWTXJOK-UHFFFAOYSA-N -1 0 320.330 1.243 50 30 DDEARM COc1ccc(S(=O)(=O)[N-]C(=O)c2cnn(C)c2C)cc1C ZINC000058280354 184098942 /nfs/dbraw/zinc/09/89/42/184098942.db2.gz USHMDLURNHELAW-UHFFFAOYSA-N -1 0 323.374 1.739 50 30 DDEARM COc1cc(C#N)ccc1OCC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000269045173 207193071 /nfs/dbraw/zinc/19/30/71/207193071.db2.gz SGTVZMKUQQIKPY-INIZCTEOSA-N -1 0 318.329 1.269 50 30 DDEARM O=C1c2ccccc2C(=O)N1/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000001233385 406665297 /nfs/dbraw/zinc/66/52/97/406665297.db2.gz IRHRKRWNRHEMRG-LZYBPNLTSA-N -1 0 311.253 1.931 50 30 DDEARM C=CCN1C(=O)[N-]C(=O)C(=C(C)N[C@H](C)c2ccccc2)C1=O ZINC000005818033 406735582 /nfs/dbraw/zinc/73/55/82/406735582.db2.gz JJYCENIBIIUMJN-QTQPHVRFSA-N -1 0 313.357 1.876 50 30 DDEARM COCCN1C(=O)CC[C@@H](C(=O)[O-])[C@@H]1c1cccc(C#N)c1 ZINC000069593020 406739845 /nfs/dbraw/zinc/73/98/45/406739845.db2.gz OTOHXZJLGSSDQA-HIFRSBDPSA-N -1 0 302.330 1.569 50 30 DDEARM N/C(=N\O)c1cnn2c1nc(C(F)(F)F)cc2C(F)(F)F ZINC000004349265 406722523 /nfs/dbraw/zinc/72/25/23/406722523.db2.gz KVIDWHKSMPKCBB-UHFFFAOYSA-N -1 0 313.161 1.861 50 30 DDEARM C=CCN(CC=C)C(=O)COc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000007989245 406774113 /nfs/dbraw/zinc/77/41/13/406774113.db2.gz JDXCGNULHRBXSI-UHFFFAOYSA-N -1 0 320.301 1.872 50 30 DDEARM Cc1ccc(-c2n[nH]c(=O)c([O-])c2N=Nc2ccccc2)cc1 ZINC000100136275 407307294 /nfs/dbraw/zinc/30/72/94/407307294.db2.gz VKNQAMSXZOJKDX-HMMYKYKNSA-N -1 0 306.325 1.866 50 30 DDEARM CCOc1cccc(S(=O)(=O)[N-]c2c(C#N)cnn2CC)c1 ZINC000225707304 407600395 /nfs/dbraw/zinc/60/03/95/407600395.db2.gz FHNAQPJUHZQRJR-UHFFFAOYSA-N -1 0 320.374 1.974 50 30 DDEARM O=C([O-])Cn1cc(/C=C2/CCc3cc(F)ccc3C2=O)nn1 ZINC000134413101 407898670 /nfs/dbraw/zinc/89/86/70/407898670.db2.gz QTMBBGXRSFQILP-POHAHGRESA-N -1 0 301.277 1.714 50 30 DDEARM Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)c2ccc(C#N)nc2)c1 ZINC000131034259 196134010 /nfs/dbraw/zinc/13/40/10/196134010.db2.gz VNCKTPDSGRZCJE-UHFFFAOYSA-N -1 0 319.317 1.520 50 30 DDEARM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NCc2ccc(C#N)c(F)c2)C1 ZINC000263373704 539276060 /nfs/dbraw/zinc/27/60/60/539276060.db2.gz WDVWFVFUKKCCDK-MFKMUULPSA-N -1 0 319.336 1.950 50 30 DDEARM COc1ccccc1C=NN=C1NC(=O)[C@@H](CC(=O)[O-])S1 ZINC000004643975 181131744 /nfs/dbraw/zinc/13/17/44/181131744.db2.gz IAHJSNGOWBAKDP-FBWGLTFQSA-N -1 0 307.331 1.932 50 30 DDEARM CCc1nc(SCC(=O)N2CCCCCC2)[n-]c(=O)c1C#N ZINC000005238911 181220274 /nfs/dbraw/zinc/22/02/74/181220274.db2.gz DKUUOKPWAXNVDG-UHFFFAOYSA-N -1 0 320.418 1.699 50 30 DDEARM CCCc1nc(SCC(=O)NC2CCCC2)[n-]c(=O)c1C#N ZINC000005239091 181220510 /nfs/dbraw/zinc/22/05/10/181220510.db2.gz BYSTXXSLKGFBKQ-UHFFFAOYSA-N -1 0 320.418 1.745 50 30 DDEARM C=CC[C@@]1(CO)CCCN(C(=O)c2cc(C#N)c(=O)[n-]c2C)C1 ZINC000091381798 193048427 /nfs/dbraw/zinc/04/84/27/193048427.db2.gz FDGQYYXKSIKTNX-QGZVFWFLSA-N -1 0 315.373 1.346 50 30 DDEARM C=CC[C@]1(C(=O)[O-])CCCN(C(=O)CCc2cnccn2)C1 ZINC000091908095 193124780 /nfs/dbraw/zinc/12/47/80/193124780.db2.gz CBMVKWWAEDGNCQ-INIZCTEOSA-N -1 0 303.362 1.679 50 30 DDEARM C[C@H](C#N)CN(C)C(=O)c1cc(F)ccc1[N-]S(C)(=O)=O ZINC000065608000 184372238 /nfs/dbraw/zinc/37/22/38/184372238.db2.gz UZHAIQLHETWGMO-SECBINFHSA-N -1 0 313.354 1.429 50 30 DDEARM O=C([O-])c1cccc(NC(=S)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000409415655 304263624 /nfs/dbraw/zinc/26/36/24/304263624.db2.gz VVFJLMJFSOHFAX-SNVBAGLBSA-O -1 0 315.396 1.416 50 30 DDEARM N#Cc1ccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc1 ZINC000001231399 406666874 /nfs/dbraw/zinc/66/68/74/406666874.db2.gz WKPXJLWHMPKRDX-YHYXMXQVSA-N -1 0 304.352 1.844 50 30 DDEARM N=C(NN=Cc1ccccc1O)C(=N)NN=Cc1ccccc1O ZINC000001678172 406675080 /nfs/dbraw/zinc/67/50/80/406675080.db2.gz SWXSQBCCDCCOBD-LQGKIZFRSA-N -1 0 324.344 1.390 50 30 DDEARM COCCn1cc(C(=O)c2cc(F)ccc2[O-])cc(C#N)c1=O ZINC000002650172 406693101 /nfs/dbraw/zinc/69/31/01/406693101.db2.gz VZHOOWCPHABBJC-UHFFFAOYSA-N -1 0 316.288 1.442 50 30 DDEARM COc1cc(CC(=O)[N-]S(C)(=O)=O)cc(OC)c1OC ZINC000048478794 418471901 /nfs/dbraw/zinc/47/19/01/418471901.db2.gz PPIRASHVGQAEQB-UHFFFAOYSA-N -1 0 303.336 1.171 50 30 DDEARM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(C)C2=O)cc(OC)c1O ZINC000005674981 181270934 /nfs/dbraw/zinc/27/09/34/181270934.db2.gz VWMGWNBHJCESDR-YRNVUSSQSA-N -1 0 316.313 1.221 50 30 DDEARM C=CCOc1cccc(C(=O)N2CC[C@H](O)C[C@@H]2C(=O)[O-])c1 ZINC000065376228 184331471 /nfs/dbraw/zinc/33/14/71/184331471.db2.gz RMNBFWYCCIIXRX-GXTWGEPZSA-N -1 0 305.330 1.302 50 30 DDEARM N#Cc1ccc(C(=O)[N-]S(=O)(=O)CCOc2ccccc2)[nH]1 ZINC000154454177 408038449 /nfs/dbraw/zinc/03/84/49/408038449.db2.gz OKCJPYDCXLXNDA-UHFFFAOYSA-N -1 0 319.342 1.025 50 30 DDEARM CCOc1cc([N+](=O)[O-])cc(C=Nn2c(C)nnc2C)c1[O-] ZINC000252623331 408806702 /nfs/dbraw/zinc/80/67/02/408806702.db2.gz OOOVAGFQVDRYLH-UHFFFAOYSA-N -1 0 305.294 1.790 50 30 DDEARM CC(C)(C)CS(=O)(=O)[N-]C(=O)Cc1ccc(OCC#N)cc1 ZINC000112762072 418501065 /nfs/dbraw/zinc/50/10/65/418501065.db2.gz UKULRUKVCUFYJD-UHFFFAOYSA-N -1 0 324.402 1.624 50 30 DDEARM CC(C)(O)C#Cc1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000426547707 278635421 /nfs/dbraw/zinc/63/54/21/278635421.db2.gz XAIFCWDXUUDVIJ-OAHLLOKOSA-N -1 0 315.369 1.888 50 30 DDEARM COc1cc([N+](=O)[O-])cc(C=NNc2nc(C)cc(=O)[nH]2)c1[O-] ZINC000032511724 295027442 /nfs/dbraw/zinc/02/74/42/295027442.db2.gz URNSOTGUHGZHQU-MKMNVTDBSA-N -1 0 319.277 1.147 50 30 DDEARM NC(=S)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000035337456 527109729 /nfs/dbraw/zinc/10/97/29/527109729.db2.gz LYRYBWMESAHDHZ-MKMNVTDBSA-N -1 0 306.303 1.728 50 30 DDEARM C#CCCC1(CCC(=O)N[C@@H](CC2CCOCC2)C(=O)[O-])N=N1 ZINC000952878949 775629895 /nfs/dbraw/zinc/62/98/95/775629895.db2.gz KVIOMUGWJHBHET-ZDUSSCGKSA-N -1 0 321.377 1.728 50 30 DDEARM Cc1nc(C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)cs1 ZINC000065643878 184376136 /nfs/dbraw/zinc/37/61/36/184376136.db2.gz BFPROEGONQCWOH-UHFFFAOYSA-N -1 0 321.383 1.583 50 30 DDEARM C#CCn1c2nc(SC)ncc2c([O-])c(C(=O)OCC)c1=O ZINC000100227163 221485489 /nfs/dbraw/zinc/48/54/89/221485489.db2.gz KVQGSZJXCMQLII-UHFFFAOYSA-N -1 0 319.342 1.029 50 30 DDEARM COc1ccc(CCn2cc(C#N)c(=O)[n-]c2=O)cc1OC ZINC000000168306 406626248 /nfs/dbraw/zinc/62/62/48/406626248.db2.gz GGXPOPOJIYPYQT-UHFFFAOYSA-N -1 0 301.302 1.080 50 30 DDEARM CN(C)c1ccc(C=NN=C2NC(=O)[C@H](CC(=O)[O-])S2)cc1 ZINC000001863042 406677929 /nfs/dbraw/zinc/67/79/29/406677929.db2.gz VSTLAGXYQPZCBE-UXYFDLPDSA-N -1 0 320.374 1.989 50 30 DDEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2cnc(C)cn2)n1 ZINC000006606055 406738087 /nfs/dbraw/zinc/73/80/87/406738087.db2.gz CKOFTMACPIYYBM-SNVBAGLBSA-N -1 0 316.342 1.583 50 30 DDEARM O=C([O-])C[C@H]1S/C(=N\n2cnnc2)N(c2ccccc2)C1=O ZINC000012960289 406855840 /nfs/dbraw/zinc/85/58/40/406855840.db2.gz XQXSCXSMMYCMII-JITTUONFSA-N -1 0 317.330 1.021 50 30 DDEARM Cc1c(C(=O)[N-]S(=O)(=O)N2CCc3ccccc32)cnn1C ZINC000078556632 407033998 /nfs/dbraw/zinc/03/39/98/407033998.db2.gz OMFFALLCOXHZIZ-UHFFFAOYSA-N -1 0 320.374 1.341 50 30 DDEARM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc2c(c1)CCC(=O)N2 ZINC000122956326 407315350 /nfs/dbraw/zinc/31/53/50/407315350.db2.gz OLIRISDFOJSNPY-GFCCVEGCSA-N -1 0 322.324 1.510 50 30 DDEARM N#Cc1cccc(S(=O)(=O)[N-]c2ccn(CC(F)F)n2)c1 ZINC000096452489 407267992 /nfs/dbraw/zinc/26/79/92/407267992.db2.gz XZEVOVNKEYDCGD-UHFFFAOYSA-N -1 0 312.301 1.821 50 30 DDEARM CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)[N-]S(C)(=O)=O ZINC000048479346 418472363 /nfs/dbraw/zinc/47/23/63/418472363.db2.gz GHDXZNGWRXTGAZ-CYBMUJFWSA-N -1 0 312.391 1.286 50 30 DDEARM COC(=O)CSc1nc(-c2ccc(C)cc2)c(C#N)c(=O)[n-]1 ZINC000005238330 181220240 /nfs/dbraw/zinc/22/02/40/181220240.db2.gz MPVHOJKFGVIUCC-UHFFFAOYSA-N -1 0 315.354 1.882 50 30 DDEARM C=CCN1C(=O)[N-]C(=O)C(=C(C)Nc2ccccc2F)C1=O ZINC000005624728 181264447 /nfs/dbraw/zinc/26/44/47/181264447.db2.gz DFUKIDJZXCULQO-FMIVXFBMSA-N -1 0 303.293 1.776 50 30 DDEARM C=CCc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(OCC)c1O ZINC000006498025 181346656 /nfs/dbraw/zinc/34/66/56/181346656.db2.gz BCHULFJKCIQVKD-UHFFFAOYSA-N -1 0 316.313 1.269 50 30 DDEARM CSCC[C@@H](NC=C1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000017971477 182088817 /nfs/dbraw/zinc/08/88/17/182088817.db2.gz QZPVZVJGUGTTTE-GFCCVEGCSA-N -1 0 305.355 1.745 50 30 DDEARM Cn1ncc(C#N)c1[N-]S(=O)(=O)c1cccc2c1CCCC2 ZINC000170603066 407448726 /nfs/dbraw/zinc/44/87/26/407448726.db2.gz VPEKJMYRHBHUJA-UHFFFAOYSA-N -1 0 316.386 1.971 50 30 DDEARM N#CC(C(=O)[C@@H]1CC(=O)N(CC2CC2)C1)=C([O-])c1ccccc1 ZINC000100827964 418493493 /nfs/dbraw/zinc/49/34/93/418493493.db2.gz VICXGEKRTLYUMN-CABCVRRESA-N -1 0 310.353 1.837 50 30 DDEARM CN1CCN(Cc2ccc(C#CC(C)(C)O)s2)C[C@H]1C(=O)[O-] ZINC000067433333 290047867 /nfs/dbraw/zinc/04/78/67/290047867.db2.gz MRVOXMFSOQVSDI-AWEZNQCLSA-N -1 0 322.430 1.071 50 30 DDEARM O=C1[N-]C(=O)C(=NNc2ccc(Cl)cc2Cl)C(=O)N1 ZINC000004179701 304656323 /nfs/dbraw/zinc/65/63/23/304656323.db2.gz GPMLMIYOUVHNAD-UHFFFAOYSA-N -1 0 301.089 1.127 50 30 DDEARM CCCC(=O)NCC(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000095351498 519870480 /nfs/dbraw/zinc/87/04/80/519870480.db2.gz YZXDSNFKTVCEOZ-UHFFFAOYSA-N -1 0 316.354 1.528 50 30 DDEARM N#Cc1ccc(C(=O)[N-]S(=O)(=O)/C=C/c2ccccc2)cn1 ZINC000115900743 696666653 /nfs/dbraw/zinc/66/66/53/696666653.db2.gz UTMUMUIREGJAKQ-CMDGGOBGSA-N -1 0 313.338 1.684 50 30 DDEARM CN(C)c1ccc(/C=C2/S/C(=N\CC(=O)[O-])NC2=O)cc1 ZINC000096935812 185392755 /nfs/dbraw/zinc/39/27/55/185392755.db2.gz BCTSECXVHDPPDA-YRNVUSSQSA-N -1 0 305.359 1.397 50 30 DDEARM O=C([N-]S(=O)(=O)N1CCCC1)c1cccc2c1OCCO2 ZINC000067799859 190722369 /nfs/dbraw/zinc/72/23/69/190722369.db2.gz KSIAHHQETHLBAI-UHFFFAOYSA-N -1 0 312.347 1.103 50 30 DDEARM N#CC(C#N)=NNc1cccc2c1cccc2S(=O)(=O)[O-] ZINC000002934014 180970895 /nfs/dbraw/zinc/97/08/95/180970895.db2.gz CQIZVYRFNJURTP-UHFFFAOYSA-N -1 0 300.299 1.902 50 30 DDEARM C#CCCCCC(=O)[N-]S(=O)(=O)c1cnc(Cl)n1C ZINC000585135752 354811847 /nfs/dbraw/zinc/81/18/47/354811847.db2.gz ABGVNPAMMTYFDB-UHFFFAOYSA-N -1 0 303.771 1.072 50 30 DDEARM Cc1nnc(NC(=S)N=Cc2ccc(N(C)C)cc2)[n-]c1=O ZINC000005401585 181239535 /nfs/dbraw/zinc/23/95/35/181239535.db2.gz DMBUCXLQOSYEHU-OVCLIPMQSA-N -1 0 316.390 1.355 50 30 DDEARM C=C(C)Cn1c2sc3c(c2c(=O)n(CC(=O)[O-])c1=O)CCC3 ZINC000006764621 181385362 /nfs/dbraw/zinc/38/53/62/181385362.db2.gz XCYHZHUWEGXVON-UHFFFAOYSA-N -1 0 320.370 1.374 50 30 DDEARM C=CCNC(=S)N/N=C\c1cc(OCC)c([O-])c([N+](=O)[O-])c1 ZINC000019793745 182150061 /nfs/dbraw/zinc/15/00/61/182150061.db2.gz DJVQTSULYOLUNP-NVNXTCNLSA-N -1 0 324.362 1.683 50 30 DDEARM CC1=CC(=O)C(=C([O-])C=Cc2cccc3c2OCO3)C(=O)O1 ZINC000044013249 183392883 /nfs/dbraw/zinc/39/28/83/183392883.db2.gz SWLBIHBPBFAEKD-VBROQKIQSA-N -1 0 300.266 1.644 50 30 DDEARM COC[C@H](C)NC(=O)C(C#N)=C([O-])c1cn(C)c2ccccc12 ZINC000103503029 221493723 /nfs/dbraw/zinc/49/37/23/221493723.db2.gz WFQQQCIPDIXSTH-AAEUAGOBSA-N -1 0 313.357 1.652 50 30 DDEARM Cc1c(C=Nn2c([S-])nnc(C)c2=O)c2ccccc2n1C ZINC000334159066 354575647 /nfs/dbraw/zinc/57/56/47/354575647.db2.gz WXNQRKJSVRDUEG-UHFFFAOYSA-N -1 0 313.386 1.918 50 30 DDEARM C=CCOC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000094568742 193380799 /nfs/dbraw/zinc/38/07/99/193380799.db2.gz LKXLDZQGKGEICY-LBPRGKRZSA-N -1 0 307.302 1.485 50 30 DDEARM Cc1nnc(S[C@H](C)C(=O)Nc2ccccc2C#N)[n-]c1=O ZINC000024754716 182390048 /nfs/dbraw/zinc/39/00/48/182390048.db2.gz TVYKTOYJRFVJDX-SECBINFHSA-N -1 0 315.358 1.877 50 30 DDEARM C=CCn1c(CN2CC[C@H](O)C[C@@H]2C(=O)[O-])nc2ccccc21 ZINC000065456745 184347660 /nfs/dbraw/zinc/34/76/60/184347660.db2.gz DNTSSYVOOKBWOH-SWLSCSKDSA-N -1 0 315.373 1.632 50 30 DDEARM N#CC(C(=O)N1CCCC1)=C([O-])c1cncc(Br)c1 ZINC000103502605 221493979 /nfs/dbraw/zinc/49/39/79/221493979.db2.gz RSQIYDKORUJLNF-LLVKDONJSA-N -1 0 322.162 1.789 50 30 DDEARM C=CCNC(=O)C[C@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O ZINC000002966916 406708115 /nfs/dbraw/zinc/70/81/15/406708115.db2.gz SOPWFGFVOHGYPS-LLVKDONJSA-N -1 0 314.370 1.047 50 30 DDEARM Cc1nnc(C)n1NC(=O)N=S(=O)([O-])c1ccc(C)cc1 ZINC000002951037 406708150 /nfs/dbraw/zinc/70/81/50/406708150.db2.gz ZBGHVAZIEPSYIM-UHFFFAOYSA-N -1 0 309.351 1.050 50 30 DDEARM CS(=O)(=O)[N-]C(=O)CCCn1nnc(-c2ccccc2)n1 ZINC000071851855 406852716 /nfs/dbraw/zinc/85/27/16/406852716.db2.gz MHTFSTQNEAJCGC-UHFFFAOYSA-N -1 0 309.351 1.036 50 30 DDEARM N#Cc1cccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)c1 ZINC000071892476 406862783 /nfs/dbraw/zinc/86/27/83/406862783.db2.gz MKGKMTGXOACMFO-CYBMUJFWSA-N -1 0 308.359 1.762 50 30 DDEARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(C(N)=O)cc1 ZINC000100149710 407307384 /nfs/dbraw/zinc/30/73/84/407307384.db2.gz VSHKFMHCCUOBJQ-HKWRFOASSA-N -1 0 321.340 1.976 50 30 DDEARM Cc1nc(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)cs1 ZINC000049416911 418476504 /nfs/dbraw/zinc/47/65/04/418476504.db2.gz REOPNYJCXUQFAK-UHFFFAOYSA-N -1 0 307.356 1.442 50 30 DDEARM Cc1cccc(C([O-])=C(C#N)C(=O)NC[C@H]2CCCO2)c1C ZINC000103502319 418496766 /nfs/dbraw/zinc/49/67/66/418496766.db2.gz JHEUDYLHWXMPRO-HIFRSBDPSA-N -1 0 300.358 1.921 50 30 DDEARM COc1cccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCC(=O)[O-])c1 ZINC000000074335 295326687 /nfs/dbraw/zinc/32/66/87/295326687.db2.gz BVGRQVWNLZHBCZ-AWEZNQCLSA-N -1 0 319.313 1.454 50 30 DDEARM Cn1cc(C#N)cc1C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000083766387 483983967 /nfs/dbraw/zinc/98/39/67/483983967.db2.gz LTHDQBZFPVVCEX-LLVKDONJSA-N -1 0 311.363 1.100 50 30 DDEARM CCc1nc(SCC(=O)OC2CCCC2)[n-]c(=O)c1C#N ZINC000005239061 181220649 /nfs/dbraw/zinc/22/06/49/181220649.db2.gz WUUSWTVXSNRGGA-UHFFFAOYSA-N -1 0 307.375 1.782 50 30 DDEARM COC[C@@H](C)S(=O)(=O)[N-]C(=O)/C=C/c1cccc(C#N)c1 ZINC000113699322 407520972 /nfs/dbraw/zinc/52/09/72/407520972.db2.gz LLJKTLOJLHKMNR-XUIVZRPNSA-N -1 0 308.359 1.052 50 30 DDEARM O=C1[N-]C(=O)C(=NNc2cc(Cl)ccc2Cl)C(=O)N1 ZINC000004179704 304656549 /nfs/dbraw/zinc/65/65/49/304656549.db2.gz DXHHYRGHSYZRPX-UHFFFAOYSA-N -1 0 301.089 1.127 50 30 DDEARM C[C@H](NC(=O)N1CCC(C#N)(c2ccccc2)CC1)C(=O)[O-] ZINC000670451947 484839183 /nfs/dbraw/zinc/83/91/83/484839183.db2.gz KRZYOOCZTOLFAV-LBPRGKRZSA-N -1 0 301.346 1.726 50 30 DDEARM C[C@@H](Oc1cccc(C#N)c1)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000237503571 186298516 /nfs/dbraw/zinc/29/85/16/186298516.db2.gz UXQLRJLRNPJBAN-BDJLRTHQSA-N -1 0 302.330 1.649 50 30 DDEARM COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CCC(=O)[O-])cc1 ZINC000017991262 182089166 /nfs/dbraw/zinc/08/91/66/182089166.db2.gz NJKMDJJVFBMYSA-CQSZACIVSA-N -1 0 319.313 1.454 50 30 DDEARM N#Cc1c(F)cccc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1C1CC1 ZINC000160072741 197383625 /nfs/dbraw/zinc/38/36/25/197383625.db2.gz URSGICCCFARAAJ-VHSXEESVSA-N -1 0 308.334 1.548 50 30 DDEARM CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C)cc1 ZINC000048491745 221456617 /nfs/dbraw/zinc/45/66/17/221456617.db2.gz YAFZUUIKUWDDPQ-ZANVPECISA-N -1 0 310.375 1.624 50 30 DDEARM C=CCNS(=O)(=O)c1cccc2cc(C(=O)[O-])c(O)cc21 ZINC000002471489 406687505 /nfs/dbraw/zinc/68/75/05/406687505.db2.gz MMAUKFZTQYVEGH-UHFFFAOYSA-N -1 0 307.327 1.708 50 30 DDEARM C=C(C)C(=O)OCCOP(=O)([O-])OCCOC(=O)C(=C)C ZINC000002582052 406691391 /nfs/dbraw/zinc/69/13/91/406691391.db2.gz NXBXJOWBDCQIHF-UHFFFAOYSA-N -1 0 322.250 1.359 50 30 DDEARM CCOC(=O)[C@@H](C)Sc1nc(-c2ccco2)c(C#N)c(=O)[n-]1 ZINC000009227583 406804681 /nfs/dbraw/zinc/80/46/81/406804681.db2.gz LXPZYDKPRJDWQV-MRVPVSSYSA-N -1 0 319.342 1.945 50 30 DDEARM CCOC(=O)[C@H](C)Sc1nc(-c2ccco2)c(C#N)c(=O)[n-]1 ZINC000009227584 406805336 /nfs/dbraw/zinc/80/53/36/406805336.db2.gz LXPZYDKPRJDWQV-QMMMGPOBSA-N -1 0 319.342 1.945 50 30 DDEARM N#Cc1c(Cl)cccc1NC(=O)c1nccnc1C(=O)[O-] ZINC000031812749 406942216 /nfs/dbraw/zinc/94/22/16/406942216.db2.gz ULXFLCUIIBMVRH-UHFFFAOYSA-N -1 0 302.677 1.952 50 30 DDEARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C1(C#N)CCOCC1 ZINC000122060815 408248085 /nfs/dbraw/zinc/24/80/85/408248085.db2.gz ABTIUWJXSFWSST-UHFFFAOYSA-N -1 0 302.330 1.664 50 30 DDEARM N#Cc1cccc(S(=O)(=O)[N-]C(=O)c2cc(C3CC3)n[nH]2)c1 ZINC000048608487 418472911 /nfs/dbraw/zinc/47/29/11/418472911.db2.gz AMGGADALAZKXCI-UHFFFAOYSA-N -1 0 316.342 1.852 50 30 DDEARM CC[C@H](C)n1ncc2c1nc(C)cc2C([O-])=C(C#N)C(=O)NC ZINC000100684209 418493088 /nfs/dbraw/zinc/49/30/88/418493088.db2.gz NXBNKPUYVJPCMU-JQWIXIFHSA-N -1 0 313.361 1.779 50 30 DDEARM C[C@H]1CCc2ccccc2N1CCn1cc(C#N)c(=O)[n-]c1=O ZINC000048325392 418469122 /nfs/dbraw/zinc/46/91/22/418469122.db2.gz CAJQOJCMZRNXBQ-LBPRGKRZSA-N -1 0 310.357 1.662 50 30 DDEARM N#Cc1ccc(OCC(=O)N(CC(=O)[O-])C2CCOCC2)cc1 ZINC000532005006 421647078 /nfs/dbraw/zinc/64/70/78/421647078.db2.gz FJOSAZMRNKZRBU-UHFFFAOYSA-N -1 0 318.329 1.029 50 30 DDEARM CC(=O)C1=C(O)C(=O)N(CCC(=O)[O-])[C@@H]1c1ccc(C)cc1 ZINC000019208981 277933010 /nfs/dbraw/zinc/93/30/10/277933010.db2.gz HWGIDDIKIVEGIS-CQSZACIVSA-N -1 0 303.314 1.754 50 30 DDEARM N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)C1CCOCC1 ZINC000077944176 483966282 /nfs/dbraw/zinc/96/62/82/483966282.db2.gz ODVYTFNZAUDBJH-UHFFFAOYSA-N -1 0 308.359 1.771 50 30 DDEARM C=CCOC(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000074921889 518974974 /nfs/dbraw/zinc/97/49/74/518974974.db2.gz LKXLDZQGKGEICY-GFCCVEGCSA-N -1 0 307.302 1.485 50 30 DDEARM CC(=O)Nc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1 ZINC000028605398 696106413 /nfs/dbraw/zinc/10/64/13/696106413.db2.gz CRUKFGFDBWHPKO-WHWKNOJMSA-N -1 0 313.309 1.873 50 30 DDEARM N#CC1CCN(C(=O)c2ccc3c(=O)[nH]c(=S)[n-]c3c2)CC1 ZINC000058433705 283049891 /nfs/dbraw/zinc/04/98/91/283049891.db2.gz GJZKBNLTCWPIPD-UHFFFAOYSA-N -1 0 314.370 1.588 50 30 DDEARM C#CCn1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c2ccccc21 ZINC000004934994 181175220 /nfs/dbraw/zinc/17/52/20/181175220.db2.gz BFCSIBKELNAPFT-MDWZMJQESA-N -1 0 323.308 1.252 50 30 DDEARM CCc1nc(SCC(=O)NC2CCCCC2)[n-]c(=O)c1C#N ZINC000005238903 181220609 /nfs/dbraw/zinc/22/06/09/181220609.db2.gz GWDFADQMLWWFHT-UHFFFAOYSA-N -1 0 320.418 1.745 50 30 DDEARM O=C1[N-]C(=O)C(=NNc2ccc(-c3ccccc3)cc2)C(=O)N1 ZINC000006454377 181342004 /nfs/dbraw/zinc/34/20/04/181342004.db2.gz LKUYMZKMTRBRRH-UHFFFAOYSA-N -1 0 308.297 1.488 50 30 DDEARM O=C1OCc2ccc(-c3ccc(CN=Nc4nnn[n-]4)o3)cc21 ZINC000018173319 182095866 /nfs/dbraw/zinc/09/58/66/182095866.db2.gz IBMNTXNCYMDQMD-GIDUJCDVSA-N -1 0 310.273 1.576 50 30 DDEARM O=[P@]([O-])(O)[C@@H](O)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000008016328 406774010 /nfs/dbraw/zinc/77/40/10/406774010.db2.gz VCDTZELUHOABQI-UWTATZPHSA-N -1 0 312.049 1.654 50 30 DDEARM C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000013167463 406859227 /nfs/dbraw/zinc/85/92/27/406859227.db2.gz XQPHVPCZZYKYMI-NSHDSACASA-N -1 0 302.330 1.649 50 30 DDEARM Cn1cccc1C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000072270464 406877791 /nfs/dbraw/zinc/87/77/91/406877791.db2.gz AAXYVLYLFRMWCT-UHFFFAOYSA-N -1 0 323.761 1.669 50 30 DDEARM CC1=CC(=O)C(=C([O-])C=Cc2ccc3c(c2)OCO3)C(=O)O1 ZINC000033477518 406961557 /nfs/dbraw/zinc/96/15/57/406961557.db2.gz KSCGIEFVSSOWMY-NSRYLSIASA-N -1 0 300.266 1.644 50 30 DDEARM N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)CC1 ZINC000096013362 407223805 /nfs/dbraw/zinc/22/38/05/407223805.db2.gz PCNGBUVTNNTUSL-STQMWFEESA-N -1 0 322.361 1.679 50 30 DDEARM COc1ccc(C=NN=C2NC(=O)[C@H](CC(=O)[O-])S2)cc1 ZINC000252679168 222248201 /nfs/dbraw/zinc/24/82/01/222248201.db2.gz IXAFTOCVNVDRDI-JTQLQIEISA-N -1 0 307.331 1.091 50 30 DDEARM CC(C)(C)OC(=O)N=C([N-]C(=O)C(F)(F)F)n1cccn1 ZINC000585091581 483919072 /nfs/dbraw/zinc/91/90/72/483919072.db2.gz JLMUJVVPAITXSJ-UHFFFAOYSA-N -1 0 306.244 1.701 50 30 DDEARM C=CCOC(=O)O[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002564710 180935768 /nfs/dbraw/zinc/93/57/68/180935768.db2.gz NLBIRBKIAGDIBS-BDAKNGLRSA-N -1 0 303.311 1.692 50 30 DDEARM C=CCN1C(=O)[N-]C(=O)/C(=C/c2ccc3c(c2)OCO3)C1=O ZINC000005123883 181206506 /nfs/dbraw/zinc/20/65/06/181206506.db2.gz KWNMPOKRGCULJL-POHAHGRESA-N -1 0 300.270 1.063 50 30 DDEARM N#Cc1cn(Cc2nc(-c3ccccc3)cs2)c(=O)[n-]c1=O ZINC000058297510 184102636 /nfs/dbraw/zinc/10/26/36/184102636.db2.gz COASKBCDDGPBST-UHFFFAOYSA-N -1 0 310.338 1.992 50 30 DDEARM COCCN1C(=O)CC[C@H](C(=O)[O-])[C@@H]1c1ccc(C#N)cc1 ZINC000069567549 406735291 /nfs/dbraw/zinc/73/52/91/406735291.db2.gz TVCBKGQESUOXMJ-ZFWWWQNUSA-N -1 0 302.330 1.569 50 30 DDEARM CC(C)S(=O)(=O)c1ccc(C(=O)[N-]S(C)(=O)=O)cc1 ZINC000048486887 418472348 /nfs/dbraw/zinc/47/23/48/418472348.db2.gz LBLWNRVFOHCESD-UHFFFAOYSA-N -1 0 305.377 1.133 50 30 DDEARM C[C@@H]1CCc2ccccc2N1CCn1cc(C#N)c(=O)[n-]c1=O ZINC000048325391 418469520 /nfs/dbraw/zinc/46/95/20/418469520.db2.gz CAJQOJCMZRNXBQ-GFCCVEGCSA-N -1 0 310.357 1.662 50 30 DDEARM COC(=O)/C=C1/S/C(=N\c2ccc(C(=O)[O-])cc2)N(C)C1=O ZINC000004681215 290851509 /nfs/dbraw/zinc/85/15/09/290851509.db2.gz LKNNOYMBUYUFRD-ZBMWDBOJSA-N -1 0 320.326 1.634 50 30 DDEARM Cc1sc(=O)n(CCC(=O)Nc2nc(C#N)c(C#N)[n-]2)c1C ZINC000072294078 191110631 /nfs/dbraw/zinc/11/06/31/191110631.db2.gz PPTSMVCCLAYZNH-UHFFFAOYSA-N -1 0 316.346 1.022 50 30 DDEARM CCc1nc(SCC(=O)NC2CCCC2)[n-]c(=O)c1C#N ZINC000005239090 181220497 /nfs/dbraw/zinc/22/04/97/181220497.db2.gz XNFZPKVUQHUNQK-UHFFFAOYSA-N -1 0 306.391 1.355 50 30 DDEARM COCCn1cc(C(=O)c2cc(C)ccc2[O-])cc(C#N)c1=O ZINC000005860961 181290525 /nfs/dbraw/zinc/29/05/25/181290525.db2.gz CDKXLQMGISXGPJ-UHFFFAOYSA-N -1 0 312.325 1.611 50 30 DDEARM N#Cc1cccc(C(=O)N2CCc3[n-]c(=O)c(C#N)cc3C2)c1 ZINC000225680769 257214931 /nfs/dbraw/zinc/21/49/31/257214931.db2.gz ZCWUOJSPRJXAKU-UHFFFAOYSA-N -1 0 304.309 1.317 50 30 DDEARM CCc1nc(SCC(=O)Nc2ccccc2)[n-]c(=O)c1C#N ZINC000008021488 406774340 /nfs/dbraw/zinc/77/43/40/406774340.db2.gz RFFGLVLMFCFTFY-UHFFFAOYSA-N -1 0 314.370 1.935 50 30 DDEARM N#Cc1cc2c(nc1SCC(=O)NCC(=O)[O-])CCCC2 ZINC000008382661 406785453 /nfs/dbraw/zinc/78/54/53/406785453.db2.gz SEVLJHBMIOCXHG-UHFFFAOYSA-N -1 0 305.359 1.125 50 30 DDEARM O=C([O-])Cc1sc(NN=CC=Cc2ccccc2)nc1O ZINC000008691570 406793267 /nfs/dbraw/zinc/79/32/67/406793267.db2.gz MDTSDNQPTIRIRQ-MMRDTSDASA-N -1 0 303.343 1.748 50 30 DDEARM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCC2)[C@H]1CCC(=O)N1 ZINC000095458446 407214337 /nfs/dbraw/zinc/21/43/37/407214337.db2.gz XQUSTLZSYUFGSR-GFCCVEGCSA-N -1 0 308.359 1.099 50 30 DDEARM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)OC)cc1OC ZINC000048761678 418474329 /nfs/dbraw/zinc/47/43/29/418474329.db2.gz WLBTYQOHMMAKAH-MRVPVSSYSA-N -1 0 303.336 1.384 50 30 DDEARM CC(C)CNC(=O)C(C#N)=C([O-])c1cccc(-n2ccnn2)c1 ZINC000101796020 418494612 /nfs/dbraw/zinc/49/46/12/418494612.db2.gz YCIGWSQBETYXCO-CQSZACIVSA-N -1 0 311.345 1.362 50 30 DDEARM COCc1ccccc1S(=O)(=O)[N-]c1c(C#N)c(C)nn1C ZINC000585129616 771961930 /nfs/dbraw/zinc/96/19/30/771961930.db2.gz PLTFWSBKKVZBRK-UHFFFAOYSA-N -1 0 320.374 1.547 50 30 DDEARM C#CCCC1(CCC(=O)N(CCC(=O)[O-])C2CCOCC2)N=N1 ZINC000952876323 775625230 /nfs/dbraw/zinc/62/52/30/775625230.db2.gz MKSQNTZYNHLABV-UHFFFAOYSA-N -1 0 321.377 1.824 50 30 DDEARM COc1cccc(/C(C)=N/N=C2/NC(=O)[C@H](CC(=O)[O-])S2)c1 ZINC000004351505 181101262 /nfs/dbraw/zinc/10/12/62/181101262.db2.gz WFUUDTJOKKEOMJ-AXLKIAQESA-N -1 0 321.358 1.482 50 30 DDEARM COc1cc(C#N)ccc1OCC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000269045175 207193256 /nfs/dbraw/zinc/19/32/56/207193256.db2.gz SGTVZMKUQQIKPY-MRXNPFEDSA-N -1 0 318.329 1.269 50 30 DDEARM NC1=NN(c2ccccc2)C(=O)C1=N[N-]c1ccccc1[N+](=O)[O-] ZINC000100480050 407307984 /nfs/dbraw/zinc/30/79/84/407307984.db2.gz WYBLRVVUNXGTBQ-QGOAFFKASA-N -1 0 324.300 1.682 50 30 DDEARM CCn1ncc(C#N)c1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000195573276 407468556 /nfs/dbraw/zinc/46/85/56/407468556.db2.gz GCYRPCZHSBDLQD-UHFFFAOYSA-N -1 0 301.331 1.447 50 30 DDEARM CCC(=O)c1cccc(S(=O)(=O)[N-]c2n[nH]cc2C#N)c1 ZINC000160951976 408542942 /nfs/dbraw/zinc/54/29/42/408542942.db2.gz LQORXSMPJZBGCY-UHFFFAOYSA-N -1 0 304.331 1.675 50 30 DDEARM N=c1[n-]nc(CCNC(=O)[C@H]2CCCN(CC(F)(F)F)C2)o1 ZINC000329099314 410099635 /nfs/dbraw/zinc/09/96/35/410099635.db2.gz MFJWBHLEYAYYPM-QMMMGPOBSA-N -1 0 321.303 1.425 50 30 DDEARM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1csc(C(C)C)n1 ZINC000073838654 483944586 /nfs/dbraw/zinc/94/45/86/483944586.db2.gz JEMAFCMVSQNIKE-QMMMGPOBSA-N -1 0 306.409 1.936 50 30 DDEARM CC(C)(C)[C@@H](C#N)NC(=O)CSc1n[n-]c(=S)s1 ZINC000085437233 484003869 /nfs/dbraw/zinc/00/38/69/484003869.db2.gz CQNNDASTXCRTFX-ZCFIWIBFSA-N -1 0 302.450 1.973 50 30 DDEARM C#CCn1cc(CN(C)Cc2ccc([N+](=O)[O-])c([O-])c2)cn1 ZINC000092039368 484014783 /nfs/dbraw/zinc/01/47/83/484014783.db2.gz OLLDWMSLWPGSPY-UHFFFAOYSA-N -1 0 300.318 1.762 50 30 DDEARM C=CC[C@]1(C(=O)[O-])CCCN(C(=O)CCc2csc(N)n2)C1 ZINC000091270243 519121123 /nfs/dbraw/zinc/12/11/23/519121123.db2.gz DVDRASOVYLLOAR-HNNXBMFYSA-N -1 0 323.418 1.927 50 30 DDEARM C#CCCC1(CCC(=O)N2C[C@H](OC)C[C@@]2(C)C(=O)[O-])N=N1 ZINC000952876466 775624704 /nfs/dbraw/zinc/62/47/04/775624704.db2.gz RPBUCNSBJCAOAH-RISCZKNCSA-N -1 0 307.350 1.433 50 30 DDEARM COc1ccccc1C(=O)[N-]S(=O)(=O)c1c(C)noc1C ZINC000048490072 418472596 /nfs/dbraw/zinc/47/25/96/418472596.db2.gz ZRAWDHCXFAANPY-UHFFFAOYSA-N -1 0 310.331 1.994 50 30 DDEARM CNC(=O)C(C#N)=C([O-])c1ccc(Cn2cc(Cl)cn2)o1 ZINC000101112078 418493934 /nfs/dbraw/zinc/49/39/34/418493934.db2.gz VKHZHJSETDGNAY-JTQLQIEISA-N -1 0 306.709 1.246 50 30 DDEARM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)CNC(=O)C2CC2)c1 ZINC000048561016 518458110 /nfs/dbraw/zinc/45/81/10/518458110.db2.gz XQQXNOQRBNAIHR-UHFFFAOYSA-N -1 0 324.358 1.061 50 30 DDEARM C=CCOC(=O)NCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002569772 180936597 /nfs/dbraw/zinc/93/65/97/180936597.db2.gz UAHHMBPTDNIRIB-VIFPVBQESA-N -1 0 302.327 1.267 50 30 DDEARM C[C@H](Oc1cccc(C#N)c1)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000237650260 202318945 /nfs/dbraw/zinc/31/89/45/202318945.db2.gz UXQLRJLRNPJBAN-ZBEGNZNMSA-N -1 0 302.330 1.649 50 30 DDEARM C=CCN1C(=O)[N-]C(=O)/C(=C/c2cn(C)c3ccccc23)C1=O ZINC000000501522 406653234 /nfs/dbraw/zinc/65/32/34/406653234.db2.gz IAXGSIFRYOSCTE-LCYFTJDESA-N -1 0 309.325 1.826 50 30 DDEARM O=C1[N-]C(=O)C(=NNc2ccccc2Oc2ccccc2)C(=O)N1 ZINC000012346016 406842045 /nfs/dbraw/zinc/84/20/45/406842045.db2.gz VCDXTQSNFWHHEF-UHFFFAOYSA-N -1 0 324.296 1.613 50 30 DDEARM N#Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)nc1 ZINC000330031840 410523556 /nfs/dbraw/zinc/52/35/56/410523556.db2.gz DWPDBDDNKAYNPX-UHFFFAOYSA-N -1 0 311.725 2.547 50 30 DDEARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(C(N)=O)cc1 ZINC000100149712 418492740 /nfs/dbraw/zinc/49/27/40/418492740.db2.gz VSHKFMHCCUOBJQ-HMMYKYKNSA-N -1 0 321.340 1.976 50 30 DDEARM N#CC(C(=O)[C@H]1CC(=O)N(CC2CC2)C1)=C([O-])c1ccccc1 ZINC000100827972 418493444 /nfs/dbraw/zinc/49/34/44/418493444.db2.gz VICXGEKRTLYUMN-GJZGRUSLSA-N -1 0 310.353 1.837 50 30 DDEARM CC(C)CNC(=O)C(C#N)=C([O-])c1ccc(-n2ccnc2)cc1 ZINC000101966186 418494390 /nfs/dbraw/zinc/49/43/90/418494390.db2.gz QEOQZTXMHZDPTC-HNNXBMFYSA-N -1 0 310.357 1.967 50 30 DDEARM C[C@H](CC#N)NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000104088203 418497084 /nfs/dbraw/zinc/49/70/84/418497084.db2.gz YPYRTEFICMFGFB-MRVPVSSYSA-N -1 0 302.359 1.254 50 30 DDEARM C[C@H](Oc1cccc(C(=O)/C=C\c2cnnn2C)c1)C(=O)[O-] ZINC000606443858 422459637 /nfs/dbraw/zinc/45/96/37/422459637.db2.gz SSPWHFWRNJPRAR-GFVADAIESA-N -1 0 301.302 1.563 50 30 DDEARM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccn(C)c(=O)c1 ZINC000079029194 520631374 /nfs/dbraw/zinc/63/13/74/520631374.db2.gz ZJLNYYFRBRSKHK-SNVBAGLBSA-N -1 0 300.380 1.456 50 30 DDEARM COc1cccc(S(=O)(=O)[N-]C(=O)CCn2cc(C)cn2)c1 ZINC000058188016 526243479 /nfs/dbraw/zinc/24/34/79/526243479.db2.gz AHNREWVUDOSMHW-UHFFFAOYSA-N -1 0 323.374 1.936 50 30 DDEARM C#CCCC1(CCC(=O)N2CC3(CCOCC3)[C@@H]2C(=O)[O-])N=N1 ZINC000952881464 775636526 /nfs/dbraw/zinc/63/65/26/775636526.db2.gz OJKARXVCLGQMNN-ZDUSSCGKSA-N -1 0 319.361 1.434 50 30 DDEARM Cc1[n-]c(=O)c(C#N)cc1C(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC000071765172 191027171 /nfs/dbraw/zinc/02/71/71/191027171.db2.gz YJLFWWBWVHMJTH-JTQLQIEISA-N -1 0 315.251 1.371 50 30 DDEARM COc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000042304056 183252554 /nfs/dbraw/zinc/25/25/54/183252554.db2.gz MMHNHRQLVNGMNJ-UHFFFAOYSA-N -1 0 316.338 1.686 50 30 DDEARM COCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1c1cccc(C#N)c1 ZINC000083147679 483982726 /nfs/dbraw/zinc/98/27/26/483982726.db2.gz LFOQFLFYRSFPFF-CHWSQXEVSA-N -1 0 308.359 1.594 50 30 DDEARM C#CCCC1(CCC(=O)N[C@H](CC(=O)[O-])C2CCOCC2)N=N1 ZINC000952876356 775625193 /nfs/dbraw/zinc/62/51/93/775625193.db2.gz NZGHVSJMULLDKM-CYBMUJFWSA-N -1 0 321.377 1.728 50 30 DDEARM Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H](C)CCCC(=O)[O-] ZINC000097032146 185399352 /nfs/dbraw/zinc/39/93/52/185399352.db2.gz JOGBDMSNWRBBDB-NSHDSACASA-N -1 0 310.375 1.788 50 30 DDEARM O=C([O-])C[C@@H]1S/C(=N/N=C2C3CC4CC(C3)CC2C4)NC1=O ZINC000004017955 181062771 /nfs/dbraw/zinc/06/27/71/181062771.db2.gz OJJKRBNLZXVHEP-FIJQTJJSSA-N -1 0 321.402 1.861 50 30 DDEARM Cn1c([O-])c(C(=O)/C=C/c2ccc(Cl)cc2)c(=O)n(C)c1=O ZINC000005100089 181203306 /nfs/dbraw/zinc/20/33/06/181203306.db2.gz DENGWYSXXRIKED-VMPITWQZSA-N -1 0 320.732 1.339 50 30 DDEARM CC(C)C(=O)[N-]S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000000288910 406637863 /nfs/dbraw/zinc/63/78/63/406637863.db2.gz DMYDBWXDKWHZQH-UHFFFAOYSA-N -1 0 320.392 1.359 50 30 DDEARM CC(=O)C1=C(O)C(=O)N(CC(=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000004638057 406726374 /nfs/dbraw/zinc/72/63/74/406726374.db2.gz OVIHKSUTZZZWDB-LBPRGKRZSA-N -1 0 309.705 1.709 50 30 DDEARM Cc1ccc(S(=O)([O-])=NC(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000018033871 406885556 /nfs/dbraw/zinc/88/55/56/406885556.db2.gz QCOPOBCNXPBPIJ-TXEJJXNPSA-N -1 0 312.391 1.707 50 30 DDEARM Cc1[n-]n(C(N)=S)c(=O)c1[C@@H](c1ccccc1)C(C#N)C#N ZINC000100007264 407307069 /nfs/dbraw/zinc/30/70/69/407307069.db2.gz VXKQOLSLWBQYHW-ZDUSSCGKSA-N -1 0 311.370 1.784 50 30 DDEARM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)CC[C@H]2CCOC2)c1 ZINC000170656449 407467539 /nfs/dbraw/zinc/46/75/39/407467539.db2.gz MCGBDTOVXFWYPD-LBPRGKRZSA-N -1 0 322.386 1.321 50 30 DDEARM COC[C@H](C)S(=O)(=O)[N-]C(=O)/C=C/c1cccc(C#N)c1 ZINC000113699320 407521475 /nfs/dbraw/zinc/52/14/75/407521475.db2.gz LLJKTLOJLHKMNR-MLRMMBSGSA-N -1 0 308.359 1.052 50 30 DDEARM CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C)cc1 ZINC000048491746 418472446 /nfs/dbraw/zinc/47/24/46/418472446.db2.gz YAFZUUIKUWDDPQ-NOZJJQNGSA-N -1 0 310.375 1.624 50 30 DDEARM CO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000084001750 483987049 /nfs/dbraw/zinc/98/70/49/483987049.db2.gz DFJAIEKHAKUCRH-VIFPVBQESA-N -1 0 315.347 1.528 50 30 DDEARM NC(=O)c1ccc(N=Cc2c([O-])c3ccccc3oc2=O)cc1 ZINC000004384857 181104775 /nfs/dbraw/zinc/10/47/75/181104775.db2.gz MDADXQSWOPLLNN-LCYFTJDESA-N -1 0 308.293 1.883 50 30 DDEARM COC[C@H](C)n1cc(C(=O)c2ccccc2[O-])cc(C#N)c1=O ZINC000014139416 406870990 /nfs/dbraw/zinc/87/09/90/406870990.db2.gz KFFSBNXMMOSBST-NSHDSACASA-N -1 0 312.325 1.864 50 30 DDEARM Cc1[n-]oc(=O)c1N=Nc1cc(C(N)=O)c(Cl)cc1Cl ZINC000103810329 407343933 /nfs/dbraw/zinc/34/39/33/407343933.db2.gz GJZVSZVZOCEQKP-CXUHLZMHSA-N -1 0 315.116 1.793 50 30 DDEARM CC(C)CCn1ncc(C#N)c1[N-]S(=O)(=O)c1cccnc1 ZINC000170603076 407448975 /nfs/dbraw/zinc/44/89/75/407448975.db2.gz AGYBLYAHDIGVPJ-UHFFFAOYSA-N -1 0 319.390 1.997 50 30 DDEARM C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000237650014 407831449 /nfs/dbraw/zinc/83/14/49/407831449.db2.gz GLQNFWSWVGQQAO-FZMZJTMJSA-N -1 0 302.330 1.791 50 30 DDEARM CCSCCC(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1C ZINC000048518435 418471757 /nfs/dbraw/zinc/47/17/57/418471757.db2.gz BFOXUCJUSFMNNR-UHFFFAOYSA-N -1 0 305.425 1.825 50 30 DDEARM C[C@@H](Oc1cccc(C(=O)/C=C\c2cnnn2C)c1)C(=O)[O-] ZINC000606443859 422460172 /nfs/dbraw/zinc/46/01/72/422460172.db2.gz SSPWHFWRNJPRAR-JYESYGNLSA-N -1 0 301.302 1.563 50 30 DDEARM N#CC1(C(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)CCCC1 ZINC000263183151 303140455 /nfs/dbraw/zinc/14/04/55/303140455.db2.gz ZSGWYVOOZFSFSZ-LBPRGKRZSA-N -1 0 304.268 1.936 50 30 DDEARM O=C([O-])C[C@H]1S/C(=N/N=C/c2cccc(Cl)c2)NC1=O ZINC000001152321 180848006 /nfs/dbraw/zinc/84/80/06/180848006.db2.gz ZRTGMGCIYFPTCT-ISKYKNHCSA-N -1 0 311.750 1.736 50 30 DDEARM C#CCN1C(=O)S/C(=C/c2ccc(OCC(=O)[O-])cc2)C1=O ZINC000012342672 406842194 /nfs/dbraw/zinc/84/21/94/406842194.db2.gz RXQJWTTUWMCLBS-XYOKQWHBSA-N -1 0 317.322 1.820 50 30 DDEARM COC(=O)c1ccccc1S(=O)(=O)[N-]C(=O)[C@@H](C)OC ZINC000048761510 418474841 /nfs/dbraw/zinc/47/48/41/418474841.db2.gz LUIBKTCQKRULHT-MRVPVSSYSA-N -1 0 301.320 1.153 50 30 DDEARM COc1ccc(-c2n[nH]c(=O)c([O-])c2N=Nc2ccccc2)cc1 ZINC000100342549 418492866 /nfs/dbraw/zinc/49/28/66/418492866.db2.gz BJFATBSQFYABIK-HKWRFOASSA-N -1 0 322.324 1.566 50 30 DDEARM COC[C@@H](C)NC(=O)C(C#N)=C([O-])c1cn(C)c2ccccc12 ZINC000103503031 418496577 /nfs/dbraw/zinc/49/65/77/418496577.db2.gz WFQQQCIPDIXSTH-YPMHNXCESA-N -1 0 313.357 1.652 50 30 DDEARM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccnc(C#N)c1 ZINC000585128719 771960778 /nfs/dbraw/zinc/96/07/78/771960778.db2.gz LQHPYKICNWTIQB-UHFFFAOYSA-N -1 0 319.390 1.570 50 30 DDEARM COCc1ccccc1S(=O)(=O)[N-]c1nn(C)c(C)c1C#N ZINC000585129615 771961879 /nfs/dbraw/zinc/96/18/79/771961879.db2.gz PLCARQGWCUDMKS-UHFFFAOYSA-N -1 0 320.374 1.547 50 30 DDEARM COC[C@@H](C)S(=O)(=O)[N-]C(=O)/C=C\c1cccc(C#N)c1 ZINC000491845590 234312016 /nfs/dbraw/zinc/31/20/16/234312016.db2.gz LLJKTLOJLHKMNR-JMEBYUIHSA-N -1 0 308.359 1.052 50 30 DDEARM CCOc1ccc(/C=N\N=C2\NC(=O)[C@H](CC(=O)[O-])S2)cc1 ZINC000004795771 181153368 /nfs/dbraw/zinc/15/33/68/181153368.db2.gz WVIICWILKCVGKW-LWHXSLQUSA-N -1 0 321.358 1.482 50 30 DDEARM C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000237649946 202316896 /nfs/dbraw/zinc/31/68/96/202316896.db2.gz GLQNFWSWVGQQAO-SMDDNHRTSA-N -1 0 302.330 1.791 50 30 DDEARM CCCCNC(=O)N=S(=O)([O-])c1ccc(C(=O)NC)cc1 ZINC000040116173 183037041 /nfs/dbraw/zinc/03/70/41/183037041.db2.gz SJWZXXCZFDQVRL-UHFFFAOYSA-N -1 0 313.379 1.039 50 30 DDEARM C=CCOC(=O)NC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000066325955 184403189 /nfs/dbraw/zinc/40/31/89/184403189.db2.gz QVBKKBXBABTQKZ-GFCCVEGCSA-N -1 0 322.317 1.278 50 30 DDEARM Cc1n[n-]c(SCC(=O)Nc2sccc2C#N)nc1=O ZINC000006565166 406737973 /nfs/dbraw/zinc/73/79/73/406737973.db2.gz YHJHFGBDYBESBG-UHFFFAOYSA-N -1 0 307.360 1.137 50 30 DDEARM CC1=CC(=O)C(=C([O-])C=Cc2ccc([N+](=O)[O-])cc2)C(=O)O1 ZINC000003543678 406719515 /nfs/dbraw/zinc/71/95/15/406719515.db2.gz RIOIIMFXKJEUOW-BTKRWWFXSA-N -1 0 301.254 1.823 50 30 DDEARM CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000048491747 418471647 /nfs/dbraw/zinc/47/16/47/418471647.db2.gz YAFZUUIKUWDDPQ-TVQRCGJNSA-N -1 0 310.375 1.624 50 30 DDEARM COc1ccc(S(=O)(=O)[N-]C(=O)CSC)c([N+](=O)[O-])c1 ZINC000048518808 418471808 /nfs/dbraw/zinc/47/18/08/418471808.db2.gz VZPUCUFNNQFRQT-UHFFFAOYSA-N -1 0 320.348 1.612 50 30 DDEARM COC(=O)CCS(=O)(=O)[N-]C(=O)c1ccc(OC)cc1F ZINC000328596621 418605460 /nfs/dbraw/zinc/60/54/60/418605460.db2.gz JBQZPUSJMBVIJS-UHFFFAOYSA-N -1 0 319.310 1.032 50 30 DDEARM COCc1cc(NC(=O)C2(C#N)CCOCC2)cc(C(=O)[O-])c1 ZINC000263144781 222304147 /nfs/dbraw/zinc/30/41/47/222304147.db2.gz VYLRVESRVQYZNE-UHFFFAOYSA-N -1 0 318.329 1.790 50 30 DDEARM Cc1nn(C)c2nc(C)c(C(=O)Nc3nc(C#N)c(C#N)[n-]3)cc12 ZINC000032809376 302790297 /nfs/dbraw/zinc/79/02/97/302790297.db2.gz AUGOLWFBMDTKOR-UHFFFAOYSA-N -1 0 320.316 1.304 50 30 DDEARM COCCS(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1c1cccc(C#N)c1 ZINC000083147682 483981736 /nfs/dbraw/zinc/98/17/36/483981736.db2.gz LFOQFLFYRSFPFF-STQMWFEESA-N -1 0 308.359 1.594 50 30 DDEARM C=CCNS(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000003394191 181014760 /nfs/dbraw/zinc/01/47/60/181014760.db2.gz NFQJOLXYVCEMTK-UHFFFAOYSA-N -1 0 320.164 1.612 50 30 DDEARM C/C(=N\N=C1\NC(=O)[C@H](CC(=O)[O-])S1)c1ccc(F)cc1 ZINC000004709228 181140230 /nfs/dbraw/zinc/14/02/30/181140230.db2.gz WOFDVIFOEBBBDH-NPVNMOQSSA-N -1 0 309.322 1.612 50 30 DDEARM C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000237544510 202277917 /nfs/dbraw/zinc/27/79/17/202277917.db2.gz GCMHRXHWFPGSFG-BDJLRTHQSA-N -1 0 302.330 1.649 50 30 DDEARM CCCCNC(=O)N=S(=O)([O-])c1ccc2c(c1)OCCO2 ZINC000040116209 183036915 /nfs/dbraw/zinc/03/69/15/183036915.db2.gz OLCRGRFVLMFBHJ-UHFFFAOYSA-N -1 0 314.363 1.450 50 30 DDEARM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(Br)o1 ZINC000100871121 221487512 /nfs/dbraw/zinc/48/75/12/221487512.db2.gz HJASXRARZCYMBF-MRVPVSSYSA-N -1 0 311.135 1.987 50 30 DDEARM Cc1ncc(C(=O)[N-]S(=O)(=O)c2c(C)nn(C)c2C)s1 ZINC000071803798 406843605 /nfs/dbraw/zinc/84/36/05/406843605.db2.gz VBGJBRJCQSVVDW-UHFFFAOYSA-N -1 0 314.392 1.495 50 30 DDEARM COc1ccc(OCC(=O)[N-]S(=O)(=O)c2cccnc2)cc1 ZINC000042323799 418421567 /nfs/dbraw/zinc/42/15/67/418421567.db2.gz IZTOIWRTMWQHPY-UHFFFAOYSA-N -1 0 322.342 1.814 50 30 DDEARM COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)[C@@H](C)OC)c1 ZINC000049135106 418475928 /nfs/dbraw/zinc/47/59/28/418475928.db2.gz YYWYRBBSCRXGAC-MRVPVSSYSA-N -1 0 303.336 1.384 50 30 DDEARM O=C([N-]S(=O)(=O)c1cccnc1)c1ccc2c(c1)OCO2 ZINC000042323064 183253880 /nfs/dbraw/zinc/25/38/80/183253880.db2.gz HVACDMDOBVSKET-UHFFFAOYSA-N -1 0 306.299 1.504 50 30 DDEARM C[S@](=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cccnc2)cc1 ZINC000042321921 183254222 /nfs/dbraw/zinc/25/42/22/183254222.db2.gz QQWWNCSPIGPUKV-HXUWFJFHSA-N -1 0 324.383 1.513 50 30 DDEARM CNC(=O)C(C#N)=C([O-])c1ccn(-c2ccccc2Cl)n1 ZINC000103732470 221494896 /nfs/dbraw/zinc/49/48/96/221494896.db2.gz DCISZIZJEVKFNB-VIFPVBQESA-N -1 0 302.721 1.594 50 30 DDEARM C=CCOC(=O)c1[nH]c2c(c1C)C([O-])=C(C(=O)OC)[C@@H](C)C2 ZINC000002499367 406689237 /nfs/dbraw/zinc/68/92/37/406689237.db2.gz WDEOGJQPVWYFDC-KWQFWETISA-N -1 0 305.330 1.830 50 30 DDEARM C=CCC1C(=O)N=C(SCC(=O)Nc2ccccc2)N=C1[O-] ZINC000013957190 406869262 /nfs/dbraw/zinc/86/92/62/406869262.db2.gz CPJMVGZQJFAMBY-UHFFFAOYSA-N -1 0 317.370 1.935 50 30 DDEARM C=CCN1CCN([C@H](C(=O)[O-])c2cc(F)ccc2OC)CC1 ZINC000055053769 407194078 /nfs/dbraw/zinc/19/40/78/407194078.db2.gz VUELKFUBZMVOJK-HNNXBMFYSA-N -1 0 308.353 1.764 50 30 DDEARM N#Cc1c[nH]nc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000091052532 407175159 /nfs/dbraw/zinc/17/51/59/407175159.db2.gz BPFAWZWBSYQONU-UHFFFAOYSA-N -1 0 302.359 1.961 50 30 DDEARM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)OC)cc1OC ZINC000048761674 418475097 /nfs/dbraw/zinc/47/50/97/418475097.db2.gz WLBTYQOHMMAKAH-QMMMGPOBSA-N -1 0 303.336 1.384 50 30 DDEARM CC[C@@H](C)n1ncc2c1nc(C)cc2C([O-])=C(C#N)C(=O)NC ZINC000100684204 418493080 /nfs/dbraw/zinc/49/30/80/418493080.db2.gz NXBNKPUYVJPCMU-ZYHUDNBSSA-N -1 0 313.361 1.779 50 30 DDEARM N#CC(C(=O)[C@H]1CC(=O)N(CC2CC2)C1)=C([O-])c1ccccc1 ZINC000100827968 418493402 /nfs/dbraw/zinc/49/34/02/418493402.db2.gz VICXGEKRTLYUMN-LSDHHAIUSA-N -1 0 310.353 1.837 50 30 DDEARM O=C(C[C@H]1CCCO1)[N-]S(=O)(=O)N1CCc2ccccc21 ZINC000078556629 527159071 /nfs/dbraw/zinc/15/90/71/527159071.db2.gz XUZHENGKTLTTNR-GFCCVEGCSA-N -1 0 310.375 1.820 50 30 DDEARM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000048422843 291173035 /nfs/dbraw/zinc/17/30/35/291173035.db2.gz KZBACKIPMAGSTM-UHFFFAOYSA-N -1 0 300.336 1.338 50 30 DDEARM Cc1[n-]n(C(N)=S)c(=O)c1[C@H](c1ccccc1)C(C#N)C#N ZINC000018143204 182094607 /nfs/dbraw/zinc/09/46/07/182094607.db2.gz QGDSBAZTFOEGPW-QWHCGFSZSA-N -1 0 311.370 1.511 50 30 DDEARM Cc1ccc(C(=O)N[C@H](C(=O)[N-]S(C)(=O)=O)C(C)C)cc1 ZINC000048479045 183660968 /nfs/dbraw/zinc/66/09/68/183660968.db2.gz WLYXFUFHQARKCS-LBPRGKRZSA-N -1 0 312.391 1.666 50 30 DDEARM COc1cc(C#N)ccc1OCC(=O)NC1(C(=O)[O-])CCCC1 ZINC000299752536 533499081 /nfs/dbraw/zinc/49/90/81/533499081.db2.gz UMUSOBTVDRSCKH-UHFFFAOYSA-N -1 0 318.329 1.459 50 30 DDEARM O=C([O-])c1ccc(CN=Nc2nnnn2-c2ccccc2)cc1 ZINC000004419353 181107978 /nfs/dbraw/zinc/10/79/78/181107978.db2.gz NWHRMLWQKYJOLQ-MHWRWJLKSA-N -1 0 308.301 1.807 50 30 DDEARM COc1cccc(C=Nc2cccc3c(=O)[nH][n-]c(=O)c23)c1O ZINC000013126879 181831292 /nfs/dbraw/zinc/83/12/92/181831292.db2.gz MBGKJUFCKDORAQ-CAOOACKPSA-N -1 0 311.297 1.681 50 30 DDEARM Cn1ncc(C(=O)[O-])c1C(=O)Nc1ccc([N+](=O)[O-])cc1C#N ZINC000020614773 182239032 /nfs/dbraw/zinc/23/90/32/182239032.db2.gz YAGVYFVXAQXOIB-UHFFFAOYSA-N -1 0 315.245 1.150 50 30 DDEARM COc1ccc2c(c1)OC[C@H](C(=O)[N-]S(=O)(=O)C(C)C)C2 ZINC000050206859 183777752 /nfs/dbraw/zinc/77/77/52/183777752.db2.gz LOKGBWWAPGVCTL-LLVKDONJSA-N -1 0 313.375 1.941 50 30 DDEARM C#CCOc1c(Cl)cc(/C=C2/NC(=O)[N-]C2=O)cc1OCC ZINC000016156676 406882862 /nfs/dbraw/zinc/88/28/62/406882862.db2.gz XRWKSDIYABFZIS-YRNVUSSQSA-N -1 0 320.732 1.931 50 30 DDEARM COc1cccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c1OC ZINC000035684750 406974240 /nfs/dbraw/zinc/97/42/40/406974240.db2.gz DFWZOLGLAVMLAW-ZPIQOJFGSA-N -1 0 316.309 1.932 50 30 DDEARM CC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc([N+](=O)[O-])ccc1[O-] ZINC000036184056 406977092 /nfs/dbraw/zinc/97/70/92/406977092.db2.gz UIRCKPHBIJHYNK-GFCCVEGCSA-N -1 0 307.331 1.682 50 30 DDEARM CC(=NNc1nc(=O)c2c3c(sc2[nH]1)CCCC3)C(=O)[O-] ZINC000036632803 406981872 /nfs/dbraw/zinc/98/18/72/406981872.db2.gz LCRAMAULHLEZQN-SOFYXZRVSA-N -1 0 306.347 1.736 50 30 DDEARM COCCCC(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000048423603 418472328 /nfs/dbraw/zinc/47/23/28/418472328.db2.gz OARFWGKINSDSPN-UHFFFAOYSA-N -1 0 302.308 1.667 50 30 DDEARM CCOc1cccc(C([O-])=C(C#N)C(=O)N2CCSCC2)c1 ZINC000101087062 418493976 /nfs/dbraw/zinc/49/39/76/418493976.db2.gz FURBIJMTBNFXKY-AWEZNQCLSA-N -1 0 318.398 1.983 50 30 DDEARM C=CCOc1ccc(C(=O)N(C)Cc2n[n-]c(=O)o2)cc1OC ZINC000408516552 418807426 /nfs/dbraw/zinc/80/74/26/418807426.db2.gz DZLRRPGHLADYMC-UHFFFAOYSA-N -1 0 319.317 1.621 50 30 DDEARM O=c1cn[n-]c(N/N=C/c2cc(Br)ccc2O)n1 ZINC000004370232 181103460 /nfs/dbraw/zinc/10/34/60/181103460.db2.gz BQXOGORSLSEDPX-UUILKARUSA-N -1 0 310.111 1.079 50 30 DDEARM COc1cc(C(C)=O)ccc1OCC(=O)[N-]S(C)(=O)=O ZINC000069538889 406732421 /nfs/dbraw/zinc/73/24/21/406732421.db2.gz ODDJRYTYYIKHFY-UHFFFAOYSA-N -1 0 301.320 1.193 50 30 DDEARM CCOC(=O)N=c1[n-]nc(Sc2nccnc2C#N)s1 ZINC000069744085 406766267 /nfs/dbraw/zinc/76/62/67/406766267.db2.gz OHKDRHPUDPSQPW-UHFFFAOYSA-N -1 0 308.348 1.919 50 30 DDEARM CCOC([O-])=NC(=O)C(=NNc1ccc(Cl)cc1)C(C)=O ZINC000100326901 407307655 /nfs/dbraw/zinc/30/76/55/407307655.db2.gz ODJAHYQAIZKWGM-BOPFTXTBSA-N -1 0 311.725 1.970 50 30 DDEARM CNC(=O)C(C#N)=C([O-])c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000101080269 418493917 /nfs/dbraw/zinc/49/39/17/418493917.db2.gz RPTYBCDAWDFMBV-CQSZACIVSA-N -1 0 320.308 1.814 50 30 DDEARM C#CCCCC(=O)NC[C@@H](Cc1ccc(O)c(F)c1)C(=O)OC ZINC000408521836 418807649 /nfs/dbraw/zinc/80/76/49/418807649.db2.gz PKFQOIYYWGAIAX-CYBMUJFWSA-N -1 0 321.348 1.783 50 30 DDEARM CC1=CC2=NC(=O)/C(=C3/[N-]c4ccccc4C3=O)C(=O)N2C=C1 ZINC000100637112 281669987 /nfs/dbraw/zinc/66/99/87/281669987.db2.gz TZDKTNOKMUPHQV-YPKPFQOOSA-N -1 0 305.293 1.790 50 30 DDEARM C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000299743479 533965722 /nfs/dbraw/zinc/96/57/22/533965722.db2.gz NSEIYRSFDCBYQD-BMIGLBTASA-N -1 0 320.370 1.402 50 30 DDEARM NC(=O)COc1ccc(/C(Cc2ccccc2)=N/[O-])c(O)c1 ZINC000020761546 526891110 /nfs/dbraw/zinc/89/11/10/526891110.db2.gz XILGOEHQWLFJIJ-NBVRZTHBSA-N -1 0 300.314 1.677 50 30 DDEARM Cn1cc(S(=O)(=O)[N-]C(=O)CCCOc2ccccc2)cn1 ZINC000048648628 527282708 /nfs/dbraw/zinc/28/27/08/527282708.db2.gz VJKDZKQJUMVIPE-UHFFFAOYSA-N -1 0 323.374 1.925 50 30 DDEARM C=CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccn(CC)c(=O)c2)C1 ZINC000091665375 696590674 /nfs/dbraw/zinc/59/06/74/696590674.db2.gz VTXJJYBOXIWUMW-KRWDZBQOSA-N -1 0 318.373 1.751 50 30 DDEARM C#CCCC1(CCC(=O)N2C[C@@H](OC)C[C@]2(C)C(=O)[O-])N=N1 ZINC000952876467 775625184 /nfs/dbraw/zinc/62/51/84/775625184.db2.gz RPBUCNSBJCAOAH-SMDDNHRTSA-N -1 0 307.350 1.433 50 30 DDEARM COc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000042303904 183252153 /nfs/dbraw/zinc/25/21/53/183252153.db2.gz NPMWJIDZEMZSEJ-UHFFFAOYSA-N -1 0 316.338 1.686 50 30 DDEARM Cc1ccccc1C(=O)N[C@H](C(=O)[N-]S(C)(=O)=O)C(C)C ZINC000048479351 183661024 /nfs/dbraw/zinc/66/10/24/183661024.db2.gz OLTZVZYELAWVMS-LBPRGKRZSA-N -1 0 312.391 1.666 50 30 DDEARM C=CCc1cc(/C=N/n2cnnc2)cc(OC)c1OCC(=O)[O-] ZINC000000452343 406648080 /nfs/dbraw/zinc/64/80/80/406648080.db2.gz CNPABFMTYXNICL-CNHKJKLMSA-N -1 0 316.317 1.361 50 30 DDEARM CNC(=O)C(C#N)=C([O-])c1nnn(-c2ccccc2Cl)c1C ZINC000102765844 407326524 /nfs/dbraw/zinc/32/65/24/407326524.db2.gz FJKOEIXUNDYRLL-SECBINFHSA-N -1 0 317.736 1.298 50 30 DDEARM C=CCNC(=S)NN=Cc1cc(OCC)c([O-])c([N+](=O)[O-])c1 ZINC000252476894 408795366 /nfs/dbraw/zinc/79/53/66/408795366.db2.gz DJVQTSULYOLUNP-UHFFFAOYSA-N -1 0 324.362 1.683 50 30 DDEARM N#CC(C(=O)NCCc1ccccc1)=C([O-])c1cc(C2CC2)[nH]n1 ZINC000103504323 418496476 /nfs/dbraw/zinc/49/64/76/418496476.db2.gz ULTNLOSLHXMFES-AWEZNQCLSA-N -1 0 322.368 1.968 50 30 DDEARM CNC(=O)C(C#N)=C([O-])c1ccn(-c2ccccc2Cl)n1 ZINC000103732473 418496700 /nfs/dbraw/zinc/49/67/00/418496700.db2.gz DCISZIZJEVKFNB-SECBINFHSA-N -1 0 302.721 1.594 50 30 DDEARM CC(C)(O)C#Cc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)s1 ZINC000004418138 181108410 /nfs/dbraw/zinc/10/84/10/181108410.db2.gz OBENOXQFJZXHRI-UHFFFAOYSA-N -1 0 321.398 1.807 50 30 DDEARM CC(=O)C1=C(O)C(=O)N(CCCC(=O)[O-])[C@@H]1c1ccccc1 ZINC000020113250 182188346 /nfs/dbraw/zinc/18/83/46/182188346.db2.gz BXYLWAMRNSCKHT-CQSZACIVSA-N -1 0 303.314 1.836 50 30 DDEARM COCCN1C(=O)CC[C@@H](C(=O)[O-])[C@@H]1c1ccc(C#N)cc1 ZINC000069567545 184526772 /nfs/dbraw/zinc/52/67/72/184526772.db2.gz TVCBKGQESUOXMJ-HIFRSBDPSA-N -1 0 302.330 1.569 50 30 DDEARM O=C1[N-]C(=O)C(=Nc2nc(-c3ccccc3)cs2)C(=O)N1 ZINC000001506065 406672121 /nfs/dbraw/zinc/67/21/21/406672121.db2.gz ATLVINXBXHQYGN-UHFFFAOYSA-N -1 0 300.299 1.249 50 30 DDEARM CC(NN=c1[nH]c2ccccc2s1)=C1C(=O)[N-]C(=O)NC1=O ZINC000012362217 406841946 /nfs/dbraw/zinc/84/19/46/406841946.db2.gz OXJBOTCXFUIYSI-FMQZQXMHSA-N -1 0 317.330 1.066 50 30 DDEARM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc2c(c1)CCC(=O)N2 ZINC000122956094 407315552 /nfs/dbraw/zinc/31/55/52/407315552.db2.gz OLIRISDFOJSNPY-LBPRGKRZSA-N -1 0 322.324 1.510 50 30 DDEARM CNC(=O)C(C#N)=C([O-])c1csc(CCc2ccccc2)n1 ZINC000102762583 407326880 /nfs/dbraw/zinc/32/68/80/407326880.db2.gz UMHFQDUTEPUTKR-LBPRGKRZSA-N -1 0 313.382 1.997 50 30 DDEARM C=CCN1C(=O)[N-]C(=O)/C(=C\c2ccc(O)c(OC)c2)C1=O ZINC000002842370 696005919 /nfs/dbraw/zinc/00/59/19/696005919.db2.gz XYKBVLJWQOIINI-JXMROGBWSA-N -1 0 302.286 1.049 50 30 DDEARM C#CCCC1(CCC(=O)NC[C@]2(C(=O)[O-])CCCOC2)N=N1 ZINC000952880585 775631974 /nfs/dbraw/zinc/63/19/74/775631974.db2.gz WFHWDGDREKKQSW-CQSZACIVSA-N -1 0 307.350 1.340 50 30 DDEARM C=CCc1ccc(OCC(=O)NC(C)(C)C(=O)[O-])c(OC)c1 ZINC000096999748 185396052 /nfs/dbraw/zinc/39/60/52/185396052.db2.gz HLBNUQISARWUKH-UHFFFAOYSA-N -1 0 307.346 1.782 50 30 DDEARM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(N2CCCC2)nc1 ZINC000102293970 353925480 /nfs/dbraw/zinc/92/54/80/353925480.db2.gz RKAMLSKSQMSBHO-AWEZNQCLSA-N -1 0 312.373 1.627 50 30 DDEARM N#Cc1ccccc1NC(=O)C[C@@H](NCc1ccco1)C(=O)[O-] ZINC000004484322 181113559 /nfs/dbraw/zinc/11/35/59/181113559.db2.gz LPJIGBHOMXMUQX-CQSZACIVSA-N -1 0 313.313 1.723 50 30 DDEARM C=CCN1C(=O)[N-]C(=O)C(=CNc2ccc(OC)cc2C)C1=O ZINC000005734827 181278853 /nfs/dbraw/zinc/27/88/53/181278853.db2.gz UBURUZUUNQZPJQ-FMIVXFBMSA-N -1 0 315.329 1.564 50 30 DDEARM CC(C)(C)c1nnc(NN=Cc2cccc([N+](=O)[O-])c2)[n-]c1=O ZINC000005976740 181302782 /nfs/dbraw/zinc/30/27/82/181302782.db2.gz YNSKWTCJGMZAEH-OVCLIPMQSA-N -1 0 316.321 1.817 50 30 DDEARM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)CC(C)C)CC1 ZINC000048868494 183692982 /nfs/dbraw/zinc/69/29/82/183692982.db2.gz XUDLLWLBGQTNCZ-UHFFFAOYSA-N -1 0 306.384 1.119 50 30 DDEARM C=CCN1C(=O)[N-]C(=O)C(=C(CC)NCc2ccco2)C1=O ZINC000001269643 406666520 /nfs/dbraw/zinc/66/65/20/406666520.db2.gz YUJCZQRRDPGFAR-VAWYXSNFSA-N -1 0 303.318 1.298 50 30 DDEARM COc1ccc(C=NN=C2NC(=O)[C@@H](CC(=O)[O-])S2)cc1 ZINC000252679169 222248234 /nfs/dbraw/zinc/24/82/34/222248234.db2.gz IXAFTOCVNVDRDI-SNVBAGLBSA-N -1 0 307.331 1.091 50 30 DDEARM O=C(CC1=C(c2ccccc2)CCC1=O)NCc1n[nH]c(=O)[n-]1 ZINC000426604695 419515941 /nfs/dbraw/zinc/51/59/41/419515941.db2.gz ZHTDZCKKNLQYIT-UHFFFAOYSA-N -1 0 312.329 1.333 50 30 DDEARM COc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1OC ZINC000003095543 295052256 /nfs/dbraw/zinc/05/22/56/295052256.db2.gz ZVMHOGGYUSRRSF-NBUZRDOWSA-N -1 0 316.309 1.932 50 30 DDEARM CCO[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1C#N ZINC000069550152 520443075 /nfs/dbraw/zinc/44/30/75/520443075.db2.gz DWSKIWNZVITAFA-CHWSQXEVSA-N -1 0 308.359 1.770 50 30 DDEARM C#CCCC1(CCC(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)N=N1 ZINC000952876174 775623577 /nfs/dbraw/zinc/62/35/77/775623577.db2.gz DQBNAWQFSYDPLP-SWLSCSKDSA-N -1 0 319.361 1.292 50 30 DDEARM Cc1ccc(C#N)cc1S(=O)(=O)N[C@H](C)CCCC(=O)[O-] ZINC000097032147 185399219 /nfs/dbraw/zinc/39/92/19/185399219.db2.gz JOGBDMSNWRBBDB-LLVKDONJSA-N -1 0 310.375 1.788 50 30 DDEARM Cc1nc(C)c(C(=O)N2CCc3[n-]c(=O)c(C#N)cc3C2)s1 ZINC000225682966 186288628 /nfs/dbraw/zinc/28/86/28/186288628.db2.gz FYEDWBSCEXZJQF-UHFFFAOYSA-N -1 0 314.370 1.518 50 30 DDEARM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1cc(C#N)ccn1 ZINC000195578586 354298472 /nfs/dbraw/zinc/29/84/72/354298472.db2.gz NIMZIEOJBKYFDG-UHFFFAOYSA-N -1 0 319.390 1.612 50 30 DDEARM CC(=O)C1=C(O)C(=O)N(CC(=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000004638058 181130897 /nfs/dbraw/zinc/13/08/97/181130897.db2.gz OVIHKSUTZZZWDB-GFCCVEGCSA-N -1 0 309.705 1.709 50 30 DDEARM O=C([O-])C[C@@H]1S/C(=N/N=C/c2cccc(Cl)c2)NC1=O ZINC000004755764 181148936 /nfs/dbraw/zinc/14/89/36/181148936.db2.gz ZRTGMGCIYFPTCT-RGEMTFFCSA-N -1 0 311.750 1.736 50 30 DDEARM C/N=C1/S[C@H](C(=O)Nc2cccc(C(=O)[O-])c2)CC(=O)N1C ZINC000018087931 182092756 /nfs/dbraw/zinc/09/27/56/182092756.db2.gz VKSLNIKNVAIGTN-SJHSGFPMSA-N -1 0 321.358 1.273 50 30 DDEARM C#CCOC([O-])=NC(=O)c1c(C)noc1-c1snnc1C ZINC000012369722 257263407 /nfs/dbraw/zinc/26/34/07/257263407.db2.gz CTZGBZQWWIBHCH-UHFFFAOYSA-N -1 0 306.303 1.310 50 30 DDEARM CCOC(=O)c1sc(Nc2ncc(C#N)c(=O)[n-]2)nc1C ZINC000253537506 407453930 /nfs/dbraw/zinc/45/39/30/407453930.db2.gz IWGPHORUWKICHB-UHFFFAOYSA-N -1 0 305.319 1.739 50 30 DDEARM N#CC1(NC(=O)CCn2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000160825615 408526846 /nfs/dbraw/zinc/52/68/46/408526846.db2.gz YVLKZDZPAVZZBN-UHFFFAOYSA-N -1 0 314.370 1.248 50 30 DDEARM COc1cccc(C=Nc2cccc3c(=O)[nH][n-]c(=O)c23)c1O ZINC000252461413 408795309 /nfs/dbraw/zinc/79/53/09/408795309.db2.gz MBGKJUFCKDORAQ-UHFFFAOYSA-N -1 0 311.297 1.681 50 30 DDEARM O=C(CCOCC(F)(F)F)[N-]S(=O)(=O)c1cccnc1 ZINC000048532897 418472380 /nfs/dbraw/zinc/47/23/80/418472380.db2.gz DUHLMFAHTAKMML-UHFFFAOYSA-N -1 0 312.269 1.696 50 30 DDEARM CC(=O)ONc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1 ZINC000034645124 352293265 /nfs/dbraw/zinc/29/32/65/352293265.db2.gz ZKPJOXMWMFKNOJ-UHFFFAOYSA-N -1 0 311.319 1.674 50 30 DDEARM C=CC[C@]1(C(=O)[O-])CCCN(c2cc(NCCO)ncn2)C1 ZINC000091382184 193048694 /nfs/dbraw/zinc/04/86/94/193048694.db2.gz PGJAIXFTZQRWJS-HNNXBMFYSA-N -1 0 306.366 1.128 50 30 DDEARM O=S(=O)([O-])CC/N=C/c1cccc(Br)c1O ZINC000020813586 182247668 /nfs/dbraw/zinc/24/76/68/182247668.db2.gz SZDWLBMWPBWOTP-IZZDOVSWSA-N -1 0 308.153 1.461 50 30 DDEARM CC1=CC(=O)C(=C([O-])C=Cc2ccc([N+](=O)[O-])cc2)C(=O)O1 ZINC000003543679 406718295 /nfs/dbraw/zinc/71/82/95/406718295.db2.gz RIOIIMFXKJEUOW-GBXSZLQWSA-N -1 0 301.254 1.823 50 30 DDEARM C#CCOc1c(Cl)cc(/C=C2/NC(=O)[N-]C2=O)cc1OC ZINC000013939774 406868242 /nfs/dbraw/zinc/86/82/42/406868242.db2.gz NGZTTWYTZYHNEG-UXBLZVDNSA-N -1 0 306.705 1.541 50 30 DDEARM Cc1n[n-]c(N/N=C/c2cc(Br)ccc2O)nc1=O ZINC000015015598 406878902 /nfs/dbraw/zinc/87/89/02/406878902.db2.gz QODAIQABCVSDHD-WLRTZDKTSA-N -1 0 324.138 1.387 50 30 DDEARM COC(=O)c1ccccc1S(=O)(=O)[N-]C(=O)[C@H](C)OC ZINC000048761509 418474494 /nfs/dbraw/zinc/47/44/94/418474494.db2.gz LUIBKTCQKRULHT-QMMMGPOBSA-N -1 0 301.320 1.153 50 30 DDEARM Cc1ccc([N+](=O)[O-])cc1NN=C1C(=O)[N-]C(=S)NC1=O ZINC000004671711 281017378 /nfs/dbraw/zinc/01/73/78/281017378.db2.gz PWLLYXLSIPYUCK-UHFFFAOYSA-N -1 0 307.291 1.042 50 30 DDEARM COc1ccc(-c2cc3c(C#N)c(N)[n-]n3c(=O)c2C#N)cc1 ZINC000006406185 295046935 /nfs/dbraw/zinc/04/69/35/295046935.db2.gz CYJHKBZPEJBJNX-UHFFFAOYSA-N -1 0 305.297 1.629 50 30 DDEARM Cc1ccc(S(=O)(=O)[N-]C(=O)NCC[NH+]2CCCC2)cc1 ZINC000023640289 539030309 /nfs/dbraw/zinc/03/03/09/539030309.db2.gz LODVMMDYROIVFQ-UHFFFAOYSA-N -1 0 311.407 1.283 50 30 DDEARM CCOC(=O)C=C(C)NN=c1s[n-]nc1C(=O)OCC ZINC000004478122 181112227 /nfs/dbraw/zinc/11/22/27/181112227.db2.gz VYSOMJOTDNPZNR-KPKJPENVSA-N -1 0 300.340 1.456 50 30 DDEARM COc1cccc(/C=N/N=C2\NC(=O)[C@H](CC(=O)[O-])S2)c1 ZINC000005606214 181262922 /nfs/dbraw/zinc/26/29/22/181262922.db2.gz LWCCFPXDZUDWBF-UQDQQJHMSA-N -1 0 307.331 1.091 50 30 DDEARM CC(=O)n1[n-]c(=N)c(N=Nc2cccc(C(F)(F)F)c2)c1N ZINC000005830678 181287715 /nfs/dbraw/zinc/28/77/15/181287715.db2.gz KHXJGDLVFIWUFW-SAGQRINUSA-N -1 0 312.255 1.795 50 30 DDEARM C#CCNC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000018837885 182102612 /nfs/dbraw/zinc/10/26/12/182102612.db2.gz LCPAFEIUFKHYPA-UHFFFAOYSA-N -1 0 320.395 1.912 50 30 DDEARM C=C(C)C(=O)Oc1c(F)c(F)c(S(=O)(=O)[O-])c(F)c1F ZINC000038530148 183001617 /nfs/dbraw/zinc/00/16/17/183001617.db2.gz ZLVYNTRKEGIGNC-UHFFFAOYSA-N -1 0 314.212 1.971 50 30 DDEARM CC[C@@H](OC)C(=O)[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000062673966 184246943 /nfs/dbraw/zinc/24/69/43/184246943.db2.gz CFPNVPRKCIUYKT-GFCCVEGCSA-N -1 0 314.363 1.715 50 30 DDEARM COc1ccccc1OCC(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000042323808 418421474 /nfs/dbraw/zinc/42/14/74/418421474.db2.gz FIQDXLQHXDPPHH-UHFFFAOYSA-N -1 0 322.342 1.814 50 30 DDEARM Cn1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)cn1 ZINC000049515024 418477973 /nfs/dbraw/zinc/47/79/73/418477973.db2.gz FDBDBJNWCIREQA-UHFFFAOYSA-N -1 0 314.754 1.303 50 30 DDEARM COC[C@H](C)NC(=O)C(C#N)=C([O-])c1cn(C)c2ccccc12 ZINC000103503034 418496784 /nfs/dbraw/zinc/49/67/84/418496784.db2.gz WFQQQCIPDIXSTH-WCQYABFASA-N -1 0 313.357 1.652 50 30 DDEARM O=c1[n-]c(=O)c(NN=Cc2ccc(Br)cc2)n[nH]1 ZINC000006161199 181317219 /nfs/dbraw/zinc/31/72/19/181317219.db2.gz KDRJKQLOBQTZQH-LFYBBSHMSA-N -1 0 310.111 1.491 50 30 DDEARM C[C@@H](NC(=O)c1ccc(C#CC2(O)CCCCC2)cc1)C(=O)[O-] ZINC000004723487 296104725 /nfs/dbraw/zinc/10/47/25/296104725.db2.gz BMLDYPYMLXSPCK-CYBMUJFWSA-N -1 0 315.369 1.936 50 30 DDEARM Cc1cc(C(=O)CSc2[n-]c(=O)nc(C)c2C#N)c(C)n1C ZINC000032776384 406953296 /nfs/dbraw/zinc/95/32/96/406953296.db2.gz SKEYRZBCQFTWAJ-UHFFFAOYSA-N -1 0 316.386 1.880 50 30 DDEARM COC(=O)c1ccccc1S(=O)(=O)[N-]C(=O)COC(C)C ZINC000064665894 407238324 /nfs/dbraw/zinc/23/83/24/407238324.db2.gz UHOOATPBXHSIOB-UHFFFAOYSA-N -1 0 315.347 1.543 50 30 DDEARM C[C@@H](C#N)NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000125442524 407388901 /nfs/dbraw/zinc/38/89/01/407388901.db2.gz QBYLBMTYVWTNSH-VIFPVBQESA-N -1 0 302.359 1.104 50 30 DDEARM COc1cccc(S(=O)(=O)[N-]C(=O)c2cc(C#N)cn2C)c1 ZINC000170656439 407466763 /nfs/dbraw/zinc/46/67/63/407466763.db2.gz YMGMSWCFLFDWRH-UHFFFAOYSA-N -1 0 319.342 1.024 50 30 DDEARM CC(=O)c1cnccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000170609199 407452144 /nfs/dbraw/zinc/45/21/44/407452144.db2.gz CBHZYSXQJPZXOV-UHFFFAOYSA-N -1 0 301.327 1.957 50 30 DDEARM O=C([O-])Cc1sc(NN=C2CCCc3ccccc32)nc1O ZINC000100889253 418493395 /nfs/dbraw/zinc/49/33/95/418493395.db2.gz TZKUZSJGLPOSLB-UEMWTREESA-N -1 0 317.370 1.789 50 30 DDEARM COc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c(OC)c1 ZINC000022227829 182313829 /nfs/dbraw/zinc/31/38/29/182313829.db2.gz OGBAFEPEXYKLNH-YERXGYGTSA-N -1 0 316.309 1.932 50 30 DDEARM Cc1n[nH]cc1S(=O)(=O)[N-]c1nn(C(C)(C)C)cc1C#N ZINC000075105025 257271195 /nfs/dbraw/zinc/27/11/95/257271195.db2.gz MHGUBOKLJJWTEV-UHFFFAOYSA-N -1 0 308.367 1.342 50 30 DDEARM O=C([O-])C/N=C(\NS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000002815867 406702706 /nfs/dbraw/zinc/70/27/06/406702706.db2.gz KAZLKSZVKKFVST-UHFFFAOYSA-N -1 0 318.354 1.496 50 30 DDEARM O=c1[nH]ncc(NN=Cc2ccc([O-])c([N+](=O)[O-])c2)c1Cl ZINC000009088436 406803242 /nfs/dbraw/zinc/80/32/42/406803242.db2.gz WUVOGTSGMTVCGA-YIXHJXPBSA-N -1 0 309.669 1.895 50 30 DDEARM N#C[C@@H]1CN(C(=O)c2ccc([O-])c(Cl)c2)CCN1C1CC1 ZINC000095958504 407216942 /nfs/dbraw/zinc/21/69/42/407216942.db2.gz MBDWJGWKZNVUMS-GFCCVEGCSA-N -1 0 305.765 1.858 50 30 DDEARM CNC(=O)C(C#N)=C([O-])c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000102687493 407326401 /nfs/dbraw/zinc/32/64/01/407326401.db2.gz JVFSKWSQKSNAOY-LBPRGKRZSA-N -1 0 310.313 1.682 50 30 DDEARM CNC(=O)C(C#N)=C([O-])c1nnn(-c2ccccc2Cl)c1C ZINC000102765845 407326897 /nfs/dbraw/zinc/32/68/97/407326897.db2.gz FJKOEIXUNDYRLL-VIFPVBQESA-N -1 0 317.736 1.298 50 30 DDEARM CC1=CC(=O)C(=C([O-])C=Cc2ccc([N+](=O)[O-])cc2)C(=O)O1 ZINC000106111935 407358214 /nfs/dbraw/zinc/35/82/14/407358214.db2.gz RIOIIMFXKJEUOW-ZBKLQPJUSA-N -1 0 301.254 1.823 50 30 DDEARM CC(C)C[C@@H](NS(=O)(=O)c1ccc(C#N)s1)C(=O)[O-] ZINC000230322702 407689435 /nfs/dbraw/zinc/68/94/35/407689435.db2.gz NQZXEVGRTFSZGR-SECBINFHSA-N -1 0 302.377 1.397 50 30 DDEARM O=C(CCCn1cccn1)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000078556614 527185285 /nfs/dbraw/zinc/18/52/85/527185285.db2.gz CLGFZNVUOTTYPG-GFCCVEGCSA-N -1 0 315.395 1.519 50 30 DDEARM C=CCNC(=O)c1c([O-])c2cc(OC)c(OC)cc2[nH]c1=O ZINC000009334800 181615496 /nfs/dbraw/zinc/61/54/96/181615496.db2.gz SSUHMCAHUSIKDZ-UHFFFAOYSA-N -1 0 304.302 1.167 50 30 DDEARM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2)cs1 ZINC000016648487 182055437 /nfs/dbraw/zinc/05/54/37/182055437.db2.gz UIKIJZWMGGAHNC-UHFFFAOYSA-N -1 0 321.383 1.780 50 30 DDEARM CCCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000042343466 183256717 /nfs/dbraw/zinc/25/67/17/183256717.db2.gz NPDUJYFCFFXKPB-UHFFFAOYSA-N -1 0 312.347 1.452 50 30 DDEARM CN(c1cccc(C#N)c1)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000060941373 184158666 /nfs/dbraw/zinc/15/86/66/184158666.db2.gz APPQTABCYSJGNQ-UHFFFAOYSA-N -1 0 305.315 1.410 50 30 DDEARM O=C([O-])c1cccc(NC(=S)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000409415654 304263684 /nfs/dbraw/zinc/26/36/84/304263684.db2.gz VVFJLMJFSOHFAX-JTQLQIEISA-O -1 0 315.396 1.416 50 30 DDEARM C/N=C1\S[C@H](C(=O)Nc2ccc(C(=O)[O-])cc2)CC(=O)N1C ZINC000002728177 406696573 /nfs/dbraw/zinc/69/65/73/406696573.db2.gz ZNGUCXGGRXOANK-PQJBRBTKSA-N -1 0 321.358 1.273 50 30 DDEARM O=c1nc(N/N=C/c2ccc(O)cc2)[n-]nc1Cc1ccccc1 ZINC000009058858 406802095 /nfs/dbraw/zinc/80/20/95/406802095.db2.gz ZMGLNJYTAUZVGD-WOJGMQOQSA-N -1 0 321.340 1.907 50 30 DDEARM Cc1cc(C#N)ccc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000129685898 196067641 /nfs/dbraw/zinc/06/76/41/196067641.db2.gz TVXNMQRAESGMIQ-ZDUSSCGKSA-N -1 0 322.386 1.495 50 30 DDEARM Cc1occc1C(=O)[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000160062130 354237010 /nfs/dbraw/zinc/23/70/10/354237010.db2.gz URUBYSNENICTKZ-UHFFFAOYSA-N -1 0 308.290 1.718 50 30 DDEARM N#Cc1c(F)cccc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1C1CC1 ZINC000160072855 197383425 /nfs/dbraw/zinc/38/34/25/197383425.db2.gz URSGICCCFARAAJ-UWVGGRQHSA-N -1 0 308.334 1.548 50 30 DDEARM N#Cc1c(F)cccc1S(=O)(=O)[N-]C(=O)CCC(F)(F)F ZINC000160012687 256588295 /nfs/dbraw/zinc/58/82/95/256588295.db2.gz ZRTMWCRPMLCFFB-UHFFFAOYSA-N -1 0 324.255 1.845 50 30 DDEARM CS(=O)(=O)[N-]C(=O)c1occc1COc1cccc(C#N)c1 ZINC000096403226 407259629 /nfs/dbraw/zinc/25/96/29/407259629.db2.gz HGQFQSSBVPYYKY-UHFFFAOYSA-N -1 0 320.326 1.994 50 30 DDEARM C=CCn1c2nc(SC)ncc2c([O-])c(C(=O)OCC)c1=O ZINC000100038991 407306971 /nfs/dbraw/zinc/30/69/71/407306971.db2.gz MUEXBLMEJCDDCM-UHFFFAOYSA-N -1 0 321.358 1.582 50 30 DDEARM CCOC([O-])=NC(=O)C(=NNc1cccc(OC)c1)C(C)=O ZINC000100219644 407307690 /nfs/dbraw/zinc/30/76/90/407307690.db2.gz IQLCTARDFAMVJU-SFQUDFHCSA-N -1 0 307.306 1.325 50 30 DDEARM CCO[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1C#N ZINC000069550146 520381614 /nfs/dbraw/zinc/38/16/14/520381614.db2.gz DWSKIWNZVITAFA-QWHCGFSZSA-N -1 0 308.359 1.770 50 30 DDEARM N#CCCN(Cc1ccccc1)C(=O)c1nccnc1C(=O)[O-] ZINC000004332785 181099271 /nfs/dbraw/zinc/09/92/71/181099271.db2.gz LWSUBIFPPLUZDU-UHFFFAOYSA-N -1 0 310.313 1.731 50 30 DDEARM COc1cc(C(=O)/C=C/c2cnn(C)c2)ccc1OCC(=O)[O-] ZINC000014179086 181933257 /nfs/dbraw/zinc/93/32/57/181933257.db2.gz IJGJQGVMUOAXJA-HWKANZROSA-N -1 0 316.313 1.788 50 30 DDEARM C[C@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000069282083 406694803 /nfs/dbraw/zinc/69/48/03/406694803.db2.gz HRGPOMVIIDIAAF-NWDGAFQWSA-N -1 0 313.375 1.916 50 30 DDEARM N#Cc1ccc([N-]S(=O)(=O)c2csc(C(N)=O)c2)cc1 ZINC000006887832 406741439 /nfs/dbraw/zinc/74/14/39/406741439.db2.gz OICOHDFZAFFLLL-UHFFFAOYSA-N -1 0 307.356 1.519 50 30 DDEARM CNC(=O)C(C#N)=C([O-])c1ccc(-n2nc(C)cc2C)c(F)c1 ZINC000102759100 407326975 /nfs/dbraw/zinc/32/69/75/407326975.db2.gz YGBRMFGSSKYVPO-LBPRGKRZSA-N -1 0 314.320 1.697 50 30 DDEARM Cc1ccc(C)c(N2N=C(C(=O)[N-]S(C)(=O)=O)CCC2=O)c1 ZINC000044966066 418434371 /nfs/dbraw/zinc/43/43/71/418434371.db2.gz VRBPVCTYRIWTBB-UHFFFAOYSA-N -1 0 323.374 1.702 50 30 DDEARM C#CCCC1(CCC(=O)N[C@H](C)C2(C(=O)[O-])CCOCC2)N=N1 ZINC000952876202 775623123 /nfs/dbraw/zinc/62/31/23/775623123.db2.gz FZHMMWBXUWVZTA-GFCCVEGCSA-N -1 0 321.377 1.728 50 30 DDEARM COc1cccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CCC(=O)[O-])c1 ZINC000000074344 406617321 /nfs/dbraw/zinc/61/73/21/406617321.db2.gz BVGRQVWNLZHBCZ-CQSZACIVSA-N -1 0 319.313 1.454 50 30 DDEARM CC(C)CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000078442036 407028419 /nfs/dbraw/zinc/02/84/19/407028419.db2.gz MIKGKGWHCALWCB-JTQLQIEISA-N -1 0 303.384 1.517 50 30 DDEARM CCn1cc(S(=O)(=O)[N-]C(=O)Cc2ccc(F)cc2)cn1 ZINC000096453134 407269283 /nfs/dbraw/zinc/26/92/83/407269283.db2.gz KTSYPJWVHZMMLK-UHFFFAOYSA-N -1 0 311.338 1.930 50 30 DDEARM CCOc1cc(C=NN2CN=NC2=S)cc([N+](=O)[O-])c1[O-] ZINC000252476795 408795745 /nfs/dbraw/zinc/79/57/45/408795745.db2.gz BSUAXDFXXYNWAN-UHFFFAOYSA-N -1 0 309.307 1.462 50 30 DDEARM C=CCn1cc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])nn1 ZINC000647730642 423017593 /nfs/dbraw/zinc/01/75/93/423017593.db2.gz DISXKLDMYMRYNN-UHTWSYAYSA-N -1 0 304.350 1.322 50 30 DDEARM CCOC([O-])=NC(=O)C(=NNc1ccc(F)cc1F)C(C)=O ZINC000252427809 222244435 /nfs/dbraw/zinc/24/44/35/222244435.db2.gz GSLVVRBEBZFAOE-UHFFFAOYSA-N -1 0 313.260 1.594 50 30 DDEARM O=C([O-])Cn1cc(/C=C2\CCc3cc(F)ccc3C2=O)nn1 ZINC000606442437 422460092 /nfs/dbraw/zinc/46/00/92/422460092.db2.gz QTMBBGXRSFQILP-UXBLZVDNSA-N -1 0 301.277 1.714 50 30 DDEARM N#Cc1nc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[n-]c1C#N ZINC000076990363 303216729 /nfs/dbraw/zinc/21/67/29/303216729.db2.gz SUQPMYUAIHCJLQ-UHFFFAOYSA-N -1 0 316.664 1.967 50 30 DDEARM COc1cc(C(=O)[O-])ccc1OCC(=O)N[C@](C)(C#N)C(C)C ZINC000013419862 522169888 /nfs/dbraw/zinc/16/98/88/522169888.db2.gz MZCGPTBOATZEEO-MRXNPFEDSA-N -1 0 320.345 1.827 50 30 DDEARM CC1=CC(=O)C(=C([O-])C=Cc2ccc3c(c2)OCCO3)C(=O)O1 ZINC000048520972 696213403 /nfs/dbraw/zinc/21/34/03/696213403.db2.gz ZEVONAYHYJHSBU-OUMXJLHTSA-N -1 0 314.293 1.686 50 30 DDEARM COc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(N)cc2)cc1 ZINC000071770852 191029850 /nfs/dbraw/zinc/02/98/50/191029850.db2.gz OGSNJWKDRUNDJK-UHFFFAOYSA-N -1 0 306.343 1.971 50 30 DDEARM COc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1O ZINC000003582075 181036999 /nfs/dbraw/zinc/03/69/99/181036999.db2.gz MJFBBCSMLFBFJO-SJDLMVEWSA-N -1 0 302.282 1.629 50 30 DDEARM Cc1nnc(NC(=O)N=S(=O)([O-])c2ccc(C)cc2)s1 ZINC000004108564 181073955 /nfs/dbraw/zinc/07/39/55/181073955.db2.gz OFWVVSQWNHEQBL-UHFFFAOYSA-N -1 0 312.376 1.870 50 30 DDEARM C[C@H](Oc1cccc(C#N)c1)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000237650195 202317158 /nfs/dbraw/zinc/31/71/58/202317158.db2.gz UXQLRJLRNPJBAN-MEDUHNTESA-N -1 0 302.330 1.649 50 30 DDEARM CC(C)(C)OC(=O)N=C([N-]C(=O)OC(C)(C)C)NCCO ZINC000019045084 182103602 /nfs/dbraw/zinc/10/36/02/182103602.db2.gz NHRGPOQWQFSEOH-UHFFFAOYSA-N -1 0 303.359 1.589 50 30 DDEARM CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)[N-]S(C)(=O)=O ZINC000048479344 183661110 /nfs/dbraw/zinc/66/11/10/183661110.db2.gz GHDXZNGWRXTGAZ-ZDUSSCGKSA-N -1 0 312.391 1.286 50 30 DDEARM CC(C)[C@@H](NC(=O)c1cccs1)C(=O)[N-]S(C)(=O)=O ZINC000048480085 183661848 /nfs/dbraw/zinc/66/18/48/183661848.db2.gz KNQGLJPQRSXULH-SECBINFHSA-N -1 0 304.393 1.419 50 30 DDEARM C=CCNc1ccccc1C(=O)N1CC[C@H](O)C[C@@H]1C(=O)[O-] ZINC000065396639 184334973 /nfs/dbraw/zinc/33/49/73/184334973.db2.gz URJRUVACVGHDSL-SMDDNHRTSA-N -1 0 304.346 1.335 50 30 DDEARM O=C([O-])Cc1sc(NN=Cc2ccc(Cl)cc2)nc1O ZINC000008048438 406776835 /nfs/dbraw/zinc/77/68/35/406776835.db2.gz QXQDXPYEAMYLBE-ISKYKNHCSA-N -1 0 311.750 1.736 50 30 DDEARM C#CCN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2[O-])C1=O ZINC000012342691 406841689 /nfs/dbraw/zinc/84/16/89/406841689.db2.gz RADBCVIGCIMXJB-JXMROGBWSA-N -1 0 304.283 1.970 50 30 DDEARM CC1=CC(=O)C(=C([O-])C=Cc2ccc3c(c2)OCO3)C(=O)O1 ZINC000033477520 406962092 /nfs/dbraw/zinc/96/20/92/406962092.db2.gz KSCGIEFVSSOWMY-HKLWWIALSA-N -1 0 300.266 1.644 50 30 DDEARM CC1=CC(=O)C(=C([O-])C=Cc2ccc([N+](=O)[O-])cc2)C(=O)O1 ZINC000106111939 407358423 /nfs/dbraw/zinc/35/84/23/407358423.db2.gz RIOIIMFXKJEUOW-HJHHMULASA-N -1 0 301.254 1.823 50 30 DDEARM CCCN(C)c1ccc(C([O-])=C(C#N)C(=O)NCCOC)cc1 ZINC000101186689 418493664 /nfs/dbraw/zinc/49/36/64/418493664.db2.gz HSVZZOCQQPCVKN-OAHLLOKOSA-N -1 0 317.389 1.618 50 30 DDEARM CC[C@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1ccccc1 ZINC000585121571 422307375 /nfs/dbraw/zinc/30/73/75/422307375.db2.gz SKHUXBMFAQZEBM-ZDUSSCGKSA-N -1 0 312.329 1.088 50 30 DDEARM N#Cc1c(N)nc2c(c1-c1c[nH]cn1)CCc1occ(C(=O)[O-])c1-2 ZINC000071404015 269948741 /nfs/dbraw/zinc/94/87/41/269948741.db2.gz DLHQNRVBQWPXAE-UHFFFAOYSA-N -1 0 321.296 1.982 50 30 DDEARM C=C1CC[C@H]2C(=C)CC[C@H]3[C@@H](CS(=O)(=O)[O-])C(=O)O[C@@H]3[C@@H]12 ZINC000096023578 277814652 /nfs/dbraw/zinc/81/46/52/277814652.db2.gz IDSMFDGIKYVJPL-HPCHECBXSA-N -1 0 312.387 1.964 50 30 DDEARM C[C@H](NC(=O)c1ccc(C#CC2(O)CCCCC2)cc1)C(=O)[O-] ZINC000004723486 299245636 /nfs/dbraw/zinc/24/56/36/299245636.db2.gz BMLDYPYMLXSPCK-ZDUSSCGKSA-N -1 0 315.369 1.936 50 30 DDEARM O=C([N-]S(=O)(=O)c1cccnc1)[C@H]1COc2ccccc21 ZINC000071905007 184898358 /nfs/dbraw/zinc/89/83/58/184898358.db2.gz ZOVPFQBUEXBISQ-LBPRGKRZSA-N -1 0 304.327 1.903 50 30 DDEARM CC[C@@H](OC)C(=O)[N-]S(=O)(=O)c1ccccc1C(=O)OC ZINC000068721626 406658947 /nfs/dbraw/zinc/65/89/47/406658947.db2.gz DCJWFPQZXAIKBK-SNVBAGLBSA-N -1 0 315.347 1.543 50 30 DDEARM N#Cc1cc(SCCC(=O)[O-])c(N2CCOCC2)cc1C#N ZINC000004624155 406727042 /nfs/dbraw/zinc/72/70/42/406727042.db2.gz DJUPOBLNXRNIHP-UHFFFAOYSA-N -1 0 317.370 1.833 50 30 DDEARM CCOc1cc(CN=Nc2nnn[n-]2)cc([N+](=O)[O-])c1OCC ZINC000009972309 406816748 /nfs/dbraw/zinc/81/67/48/406816748.db2.gz CFWVYPITDTXYAM-NTUHNPAUSA-N -1 0 321.297 1.351 50 30 DDEARM NC(=S)n1[n-]c(-c2ccccc2)c(N=Nc2ccccc2)c1=O ZINC000100543918 407307831 /nfs/dbraw/zinc/30/78/31/407307831.db2.gz LKZYHNJVQVGWKL-XMHGGMMESA-N -1 0 323.381 1.945 50 30 DDEARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(C(N)=O)cc1 ZINC000252632274 408806557 /nfs/dbraw/zinc/80/65/57/408806557.db2.gz VSHKFMHCCUOBJQ-UHFFFAOYSA-N -1 0 321.340 1.976 50 30 DDEARM O=C([N-]S(=O)(=O)c1cccnc1)c1ccc2c(c1)CCO2 ZINC000048532554 418472691 /nfs/dbraw/zinc/47/26/91/418472691.db2.gz HOPQVWFDADZBGL-UHFFFAOYSA-N -1 0 304.327 1.710 50 30 DDEARM N#CC(C(=O)NCCc1ccccc1)=C([O-])c1cc(C2CC2)[nH]n1 ZINC000103504325 418496198 /nfs/dbraw/zinc/49/61/98/418496198.db2.gz ULTNLOSLHXMFES-CQSZACIVSA-N -1 0 322.368 1.968 50 30 DDEARM O=C([O-])COc1ccccc1C=NN=C1C(=O)Nc2ccccc21 ZINC000606346889 699217293 /nfs/dbraw/zinc/21/72/93/699217293.db2.gz URIDPQUAXHSPNG-UHFFFAOYSA-N -1 0 323.308 1.925 50 30 DDEARM C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000072280271 191101504 /nfs/dbraw/zinc/10/15/04/191101504.db2.gz OMGTUOWSOPSESP-LLVKDONJSA-N -1 0 302.330 1.649 50 30 DDEARM C[C@@H]1C[C@H]1c1ccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)o1 ZINC000328586256 222874524 /nfs/dbraw/zinc/87/45/24/222874524.db2.gz FCYZFXKQBKMSBY-RKDXNWHRSA-N -1 0 314.363 1.439 50 30 DDEARM C=CC[C@]1(C(=O)[O-])CCCN(C(=O)c2c[nH]c(=O)c(Cl)c2)C1 ZINC000092097154 193157668 /nfs/dbraw/zinc/15/76/68/193157668.db2.gz BPNQKGQOXDDGOE-HNNXBMFYSA-N -1 0 324.764 1.911 50 30 DDEARM COc1cccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c1OC ZINC000023324634 182357398 /nfs/dbraw/zinc/35/73/98/182357398.db2.gz DFWZOLGLAVMLAW-KIUWMYQTSA-N -1 0 316.309 1.932 50 30 DDEARM Cn1cc(S(=O)(=O)[N-]C(=O)c2cc(Cl)ccc2F)cn1 ZINC000048519988 183663444 /nfs/dbraw/zinc/66/34/44/183663444.db2.gz LYWHGGZBILMTPX-UHFFFAOYSA-N -1 0 317.729 1.906 50 30 DDEARM C=CCN1C[C@@]2(C(=O)[O-])CN(c3ccc(Cl)cn3)C[C@H]2C1=O ZINC000077452438 406991267 /nfs/dbraw/zinc/99/12/67/406991267.db2.gz MMTKAKRKYUUSJL-XHDPSFHLSA-N -1 0 321.764 1.270 50 30 DDEARM COC(N=Cc1c(C)[n-]n(-c2ccccc2)c1=O)(OC)OC ZINC000102105383 407319786 /nfs/dbraw/zinc/31/97/86/407319786.db2.gz OJGQAFLTNUXZNY-MHWRWJLKSA-N -1 0 305.334 1.856 50 30 DDEARM N#CCOc1ccccc1C(=O)[N-]S(=O)(=O)CC1CCC1 ZINC000164834380 408804168 /nfs/dbraw/zinc/80/41/68/408804168.db2.gz UNSZPGHLTACFSD-UHFFFAOYSA-N -1 0 308.359 1.449 50 30 DDEARM CNC(=O)C(C#N)=C([O-])c1csc(-c2ccccc2OC)n1 ZINC000104055487 418497017 /nfs/dbraw/zinc/49/70/17/418497017.db2.gz IEKRUQHRSKYZKX-JTQLQIEISA-N -1 0 315.354 1.887 50 30 DDEARM Nc1nnnn1N=Cc1ccc(-c2ccc([O-])c([N+](=O)[O-])c2)o1 ZINC000245229399 222214414 /nfs/dbraw/zinc/21/44/14/222214414.db2.gz WUHKJTIBICQAOR-UHFFFAOYSA-N -1 0 315.249 1.011 50 30 DDEARM CC[C@@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1ccccc1 ZINC000585121570 422307198 /nfs/dbraw/zinc/30/71/98/422307198.db2.gz SKHUXBMFAQZEBM-CYBMUJFWSA-N -1 0 312.329 1.088 50 30 DDEARM C/N=C1\S[C@@H](C(=O)Nc2cccc(C(=O)[O-])c2)CC(=O)N1C ZINC000100272071 277757043 /nfs/dbraw/zinc/75/70/43/277757043.db2.gz VKSLNIKNVAIGTN-ZEIZSXSISA-N -1 0 321.358 1.273 50 30 DDEARM CCc1nn(Cc2cccc(C(=O)[O-])c2)c(=O)c(C#N)c1CC ZINC000564984099 308015673 /nfs/dbraw/zinc/01/56/73/308015673.db2.gz OBDBHPKBGOICJK-UHFFFAOYSA-N -1 0 311.341 1.986 50 30 DDEARM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCc2ccc(C#N)c(F)c2)C1 ZINC000263373705 539276067 /nfs/dbraw/zinc/27/60/67/539276067.db2.gz WDVWFVFUKKCCDK-ZWNOBZJWSA-N -1 0 319.336 1.950 50 30 DDEARM COc1cccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CC(=O)[O-])c1 ZINC000000034956 180672977 /nfs/dbraw/zinc/67/29/77/180672977.db2.gz CDSRCLKNDCXPDM-CYBMUJFWSA-N -1 0 305.286 1.064 50 30 DDEARM O=C([O-])C(F)(F)N1C[C@H](C(F)(F)F)O[C@H](C(F)(F)F)C1 ZINC000100698851 304027163 /nfs/dbraw/zinc/02/71/63/304027163.db2.gz UAIHDPZPOAHNGV-ZXZARUISSA-N -1 0 317.132 1.858 50 30 DDEARM C#CCOc1c(Cl)cc(/C=C2\NC(=O)[N-]C2=O)cc1OCC ZINC000002992950 406708922 /nfs/dbraw/zinc/70/89/22/406708922.db2.gz XRWKSDIYABFZIS-XFFZJAGNSA-N -1 0 320.732 1.931 50 30 DDEARM COc1cc(C#N)ccc1OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000013445616 406863055 /nfs/dbraw/zinc/86/30/55/406863055.db2.gz HUMUENXVBIXFPD-UHFFFAOYSA-N -1 0 318.329 1.269 50 30 DDEARM O=C1[N-]C(=O)C(=NNc2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1 ZINC000016385325 406881889 /nfs/dbraw/zinc/88/18/89/406881889.db2.gz SFBGKYZNMOVLRV-UHFFFAOYSA-N -1 0 311.641 1.222 50 30 DDEARM NC(=O)[N-]S(=O)(=O)c1ccc(NC=C2CCCCC2=O)cc1 ZINC000108215327 353948496 /nfs/dbraw/zinc/94/84/96/353948496.db2.gz PNUAOGITRLTYBH-KTKRTIGZSA-N -1 0 323.374 1.483 50 30 DDEARM Cc1cccc(S(=O)(=O)N(CC(=O)[O-])C2CCC2)c1C#N ZINC000593945875 356070135 /nfs/dbraw/zinc/07/01/35/356070135.db2.gz ZZLSABXNDHMFTH-UHFFFAOYSA-N -1 0 308.359 1.495 50 30 DDEARM C=CCN1C(=O)[N-]C(=O)C(=C(C)Nc2cccc(F)c2)C1=O ZINC000005816865 181286198 /nfs/dbraw/zinc/28/61/98/181286198.db2.gz JKKIAKLIQLRQSJ-XFXZXTDPSA-N -1 0 303.293 1.776 50 30 DDEARM COC(=O)C(OC)(OC)[C@H](c1ccccc1)C(C#N)C(=O)[O-] ZINC000004568214 406727010 /nfs/dbraw/zinc/72/70/10/406727010.db2.gz HXXWQAUMSYFMIN-VXGBXAGGSA-N -1 0 307.302 1.157 50 30 DDEARM Cc1[n-]n(CN2CCCCC2)c(=O)c1N=Nc1cccnc1 ZINC000013408179 406861407 /nfs/dbraw/zinc/86/14/07/406861407.db2.gz IGCSKYLEXXRXQU-JXAWBTAJSA-N -1 0 300.366 1.511 50 30 DDEARM C=CCNC(=S)N/N=C\c1cc(OC)c([O-])c([N+](=O)[O-])c1 ZINC000012418411 406845075 /nfs/dbraw/zinc/84/50/75/406845075.db2.gz JEQYMISIIJUMRE-AUWJEWJLSA-N -1 0 310.335 1.293 50 30 DDEARM COc1ccc2c(c1)OC[C@@H](C(=O)[N-]S(=O)(=O)C(C)C)C2 ZINC000050206860 407129151 /nfs/dbraw/zinc/12/91/51/407129151.db2.gz LOKGBWWAPGVCTL-NSHDSACASA-N -1 0 313.375 1.941 50 30 DDEARM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)CCC(C)C)CC1 ZINC000052766927 407156634 /nfs/dbraw/zinc/15/66/34/407156634.db2.gz CKXRLVGIVQHKFA-UHFFFAOYSA-N -1 0 320.411 1.509 50 30 DDEARM C=CCNc1ccccc1C(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000055309862 407200733 /nfs/dbraw/zinc/20/07/33/407200733.db2.gz ZAPJJSYFCYBCDP-LBPRGKRZSA-N -1 0 304.346 1.600 50 30 DDEARM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3nn(C)cc3C#N)ccc2O1 ZINC000123379264 407327139 /nfs/dbraw/zinc/32/71/39/407327139.db2.gz IZZBLDZPQXTARW-SECBINFHSA-N -1 0 318.358 1.416 50 30 DDEARM N#CCCNN=Cc1cc(Br)cc([N+](=O)[O-])c1[O-] ZINC000252624802 408806455 /nfs/dbraw/zinc/80/64/55/408806455.db2.gz PVLVGPYNFXDTGZ-UHFFFAOYSA-N -1 0 313.111 1.900 50 30 DDEARM CCc1nc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)no1 ZINC000097047036 185402865 /nfs/dbraw/zinc/40/28/65/185402865.db2.gz KBAVAIQEWRZLRC-UHFFFAOYSA-N -1 0 312.738 1.958 50 30 DDEARM CCc1nc(SCC(=O)N2CCC(C)CC2)[n-]c(=O)c1C#N ZINC000005238902 181220734 /nfs/dbraw/zinc/22/07/34/181220734.db2.gz UFEDBUFBWVYJCR-UHFFFAOYSA-N -1 0 320.418 1.555 50 30 DDEARM N#Cc1ccc(C(=O)[N-]S(=O)(=O)CCCC(F)(F)F)cn1 ZINC000156906284 197149169 /nfs/dbraw/zinc/14/91/69/197149169.db2.gz AQRJYYSMBFCNFO-UHFFFAOYSA-N -1 0 321.280 1.355 50 30 DDEARM CC[C@H](OC)C(=O)[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000068721583 406659399 /nfs/dbraw/zinc/65/93/99/406659399.db2.gz CFPNVPRKCIUYKT-LBPRGKRZSA-N -1 0 314.363 1.715 50 30 DDEARM COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CC(=O)[O-])cc1 ZINC000000283225 406637535 /nfs/dbraw/zinc/63/75/35/406637535.db2.gz LQHLXOBIIJVCHE-CYBMUJFWSA-N -1 0 305.286 1.064 50 30 biogenic DDEARM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1 ZINC000008185202 406779126 /nfs/dbraw/zinc/77/91/26/406779126.db2.gz WFASJXRQRIXOBA-UHFFFAOYSA-N -1 0 315.354 1.719 50 30 DDEARM N#Cc1cc(Cl)ccc1NC(=O)c1nccnc1C(=O)[O-] ZINC000031814604 406942469 /nfs/dbraw/zinc/94/24/69/406942469.db2.gz VEWMVXJNEIGFDR-UHFFFAOYSA-N -1 0 302.677 1.952 50 30 DDEARM CC(C)CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000078442038 407028459 /nfs/dbraw/zinc/02/84/59/407028459.db2.gz MIKGKGWHCALWCB-SNVBAGLBSA-N -1 0 303.384 1.517 50 30 DDEARM Cc1csc(=O)n1CC(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000086056477 484006130 /nfs/dbraw/zinc/00/61/30/484006130.db2.gz XDDMNMINTPOBHB-UHFFFAOYSA-N -1 0 304.393 1.447 50 30 DDEARM CC1=CC(=O)C(=C([O-])C=Cc2ccc3c(c2)OCCO3)C(=O)O1 ZINC000048520973 696213519 /nfs/dbraw/zinc/21/35/19/696213519.db2.gz ZEVONAYHYJHSBU-ZENLRNHISA-N -1 0 314.293 1.686 50 30 DDEARM O=C([O-])CCn1cc(C=NO)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000263629438 741907915 /nfs/dbraw/zinc/90/79/15/741907915.db2.gz FAERZIDQCYBZFX-UHFFFAOYSA-N -1 0 304.262 1.741 50 30 DDEARM CC(C)(O)C#Cc1ccc(CN2CCO[C@H](C(=O)[O-])C2)s1 ZINC000828488895 759652550 /nfs/dbraw/zinc/65/25/50/759652550.db2.gz FLTRYWOTSRWGPP-ZDUSSCGKSA-N -1 0 309.387 1.156 50 30 DDEARM Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000097062378 185405249 /nfs/dbraw/zinc/40/52/49/185405249.db2.gz GNLBGTGIDTVBCW-NWDGAFQWSA-N -1 0 308.359 1.398 50 30 DDEARM CC(=O)Nc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1 ZINC000221984574 201598515 /nfs/dbraw/zinc/59/85/15/201598515.db2.gz CRUKFGFDBWHPKO-SBSDFTTDSA-N -1 0 313.309 1.873 50 30 DDEARM COc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c(OC)c1 ZINC000022227832 182313529 /nfs/dbraw/zinc/31/35/29/182313529.db2.gz OGBAFEPEXYKLNH-BIENSFFJSA-N -1 0 316.309 1.932 50 30 DDEARM C[C@@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000069282082 184506324 /nfs/dbraw/zinc/50/63/24/184506324.db2.gz HRGPOMVIIDIAAF-NEPJUHHUSA-N -1 0 313.375 1.916 50 30 DDEARM CNC(=O)C(C#N)=C([O-])c1cnn(-c2ccccc2Cl)c1C ZINC000102759106 407326946 /nfs/dbraw/zinc/32/69/46/407326946.db2.gz YPJRQIHWHRUQIF-JTQLQIEISA-N -1 0 316.748 1.903 50 30 DDEARM CCn1c(=O)c2ccc(C(=O)N[C@@H](C)CC#N)cc2[n-]c1=S ZINC000103469575 418496606 /nfs/dbraw/zinc/49/66/06/418496606.db2.gz FSHHGBPZKGUCPB-VIFPVBQESA-N -1 0 316.386 1.737 50 30 DDEARM N#Cc1cc(S(=O)(=O)c2ccc(Cl)cc2)c(N)[n-]c1=O ZINC000004002834 303185772 /nfs/dbraw/zinc/18/57/72/303185772.db2.gz RLBOYZWCNDHMNA-UHFFFAOYSA-N -1 0 309.734 1.727 50 30 DDEARM O=C(CCCn1cccn1)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000078556613 527182135 /nfs/dbraw/zinc/18/21/35/527182135.db2.gz CLGFZNVUOTTYPG-LBPRGKRZSA-N -1 0 315.395 1.519 50 30 DDEARM CC(C)(C)c1nnc(NN=Cc2ccccc2[N+](=O)[O-])[n-]c1=O ZINC000006186866 181318533 /nfs/dbraw/zinc/31/85/33/181318533.db2.gz YJZOSIRZYYEDLV-OVCLIPMQSA-N -1 0 316.321 1.817 50 30 DDEARM COc1ccc(S(=O)(=O)[N-]C(=O)CCNC(C)=O)cc1C ZINC000058268132 184097867 /nfs/dbraw/zinc/09/78/67/184097867.db2.gz NJYRKIHSZGRMJJ-UHFFFAOYSA-N -1 0 314.363 1.175 50 30 DDEARM Cc1n[n-]c(SCC(=O)Nc2ccccc2C#N)nc1=O ZINC000000069328 406618902 /nfs/dbraw/zinc/61/89/02/406618902.db2.gz WIMFDDONEYFNJM-UHFFFAOYSA-N -1 0 301.331 1.076 50 30 DDEARM O=C([O-])C[C@@H]1S/C(=N\N=C\c2ccccc2Cl)NC1=O ZINC000002250289 406684269 /nfs/dbraw/zinc/68/42/69/406684269.db2.gz BVDDGOIHXXZQDP-RGEMTFFCSA-N -1 0 311.750 1.736 50 30 DDEARM CC(C)(O)C#Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)[O-])s1 ZINC000004196122 406722035 /nfs/dbraw/zinc/72/20/35/406722035.db2.gz UQOFZBLKJFNIOI-LLVKDONJSA-N -1 0 307.371 1.560 50 30 DDEARM Cc1c(C#N)c(=O)[n-]cc1C(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000077321554 406984591 /nfs/dbraw/zinc/98/45/91/406984591.db2.gz DYJHDUASUUYKQP-NSHDSACASA-N -1 0 311.345 1.710 50 30 DDEARM C[C@@H](Oc1ccccc1C#N)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000261793200 407616099 /nfs/dbraw/zinc/61/60/99/407616099.db2.gz UALLMASKBLCIHG-YPMHNXCESA-N -1 0 318.329 1.028 50 30 DDEARM N#CCc1cccc(C(=O)N(CCC(=O)[O-])C2CCOCC2)c1 ZINC000299741729 410604343 /nfs/dbraw/zinc/60/43/43/410604343.db2.gz AJEPVZRHEKJEIZ-UHFFFAOYSA-N -1 0 316.357 1.849 50 30 DDEARM COc1cc(C(=O)[O-])ccc1OCC(=O)N[C@@](C)(C#N)C(C)C ZINC000013419861 522168683 /nfs/dbraw/zinc/16/86/83/522168683.db2.gz MZCGPTBOATZEEO-INIZCTEOSA-N -1 0 320.345 1.827 50 30 DDEARM COCCCn1cc(C(=O)c2ccccc2[O-])cc(C#N)c1=O ZINC000003887250 181053192 /nfs/dbraw/zinc/05/31/92/181053192.db2.gz VIBACRXKIDPXLU-UHFFFAOYSA-N -1 0 312.325 1.693 50 30 DDEARM C=CC[C@@]1(C(=O)[O-])CCCN(C(=O)CCc2cnccn2)C1 ZINC000091908097 193124804 /nfs/dbraw/zinc/12/48/04/193124804.db2.gz CBMVKWWAEDGNCQ-MRXNPFEDSA-N -1 0 303.362 1.679 50 30 DDEARM C=CCOc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1OC ZINC000002933524 406707889 /nfs/dbraw/zinc/70/78/89/406707889.db2.gz PLSMFYQBPZJRTR-UHFFFAOYSA-N -1 0 302.286 1.009 50 30 DDEARM COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000013445607 406862381 /nfs/dbraw/zinc/86/23/81/406862381.db2.gz VSHRSBCJURTGNX-GFCCVEGCSA-N -1 0 318.329 1.269 50 30 DDEARM Cn1cccc1C(=O)[N-]S(=O)(=O)N1CCc2ccccc21 ZINC000078556635 407033965 /nfs/dbraw/zinc/03/39/65/407033965.db2.gz XDNLRKIYMZTROS-UHFFFAOYSA-N -1 0 305.359 1.637 50 30 DDEARM Cc1nc2c(C#N)c[n-]n2c(=O)c1CC(=O)N[C@H](C)C(C)C ZINC000048252303 418467227 /nfs/dbraw/zinc/46/72/27/418467227.db2.gz AXMGNBMWKGAOPD-SECBINFHSA-N -1 0 301.350 1.318 50 30 DDEARM C[C@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1ccccc1C#N ZINC000263528466 300055556 /nfs/dbraw/zinc/05/55/56/300055556.db2.gz VGJAECGVLUEEAD-JQWIXIFHSA-N -1 0 308.359 1.432 50 30 DDEARM CCOC(=O)C(C#N)=N[N-]c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000004071031 696010055 /nfs/dbraw/zinc/01/00/55/696010055.db2.gz DJCILPVBJGYEGA-UHFFFAOYSA-N -1 0 320.261 1.221 50 30 DDEARM C#CCCCCC(=O)[N-]S(=O)(=O)c1sc(OC)nc1C ZINC000888099534 709213198 /nfs/dbraw/zinc/21/31/98/709213198.db2.gz PCRIGWUHSWJOCN-UHFFFAOYSA-N -1 0 316.404 1.459 50 30 DDEARM