smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000004455924 181110928 /nfs/dbraw/zinc/11/09/28/181110928.db2.gz AUAHZKCBEFNCBU-ZWOKBUDYSA-N 0 0 320.392 4.984 40 10 DJCBRN O=[N+]([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(F)cc1)N2 ZINC000004601352 181129466 /nfs/dbraw/zinc/12/94/66/181129466.db2.gz HLIJPHZYWLPZON-RLFYNMQTSA-N 0 0 310.328 4.560 40 10 DJCBRN O=[N+]([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 ZINC000004601353 181129130 /nfs/dbraw/zinc/12/91/30/181129130.db2.gz HLIJPHZYWLPZON-MPGHIAIKSA-N 0 0 310.328 4.560 40 10 DJCBRN Cc1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 ZINC000004959521 181180002 /nfs/dbraw/zinc/18/00/02/181180002.db2.gz JXVCZFILARQPOJ-SZVBFZGTSA-N 0 0 306.365 4.730 40 10 DJCBRN Cc1cccc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 ZINC000014165840 181932223 /nfs/dbraw/zinc/93/22/23/181932223.db2.gz JXVCZFILARQPOJ-IEZWGBDMSA-N 0 0 306.365 4.730 40 10 DJCBRN CC(C)(C)C=CN=NNc1ccccc1C(=O)NC(C)(C)C ZINC000017141720 182077297 /nfs/dbraw/zinc/07/72/97/182077297.db2.gz OGOHNRVVDPCSAW-VAWYXSNFSA-N 0 0 302.422 4.554 40 10 DJCBRN O=C(/N=N/c1ccccc1)Nc1ccc(Br)cc1 ZINC000017130347 182076466 /nfs/dbraw/zinc/07/64/66/182076466.db2.gz KJZRCQXEPZXZEG-WUKNDPDISA-N 0 0 304.147 4.765 40 10 DJCBRN O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccccc1Cl ZINC000043078774 183335170 /nfs/dbraw/zinc/33/51/70/183335170.db2.gz ZRVYEZAURKDKTG-UKTHLTGXSA-N 0 0 317.171 4.975 40 10 DJCBRN Cc1ccc(C=C2SC(Nc3ccc(C)cc3C)=NC2=O)cc1 ZINC000008411297 256523454 /nfs/dbraw/zinc/52/34/54/256523454.db2.gz WGTBHAKDCAQIIS-GZTJUZNOSA-N 0 0 322.433 4.694 40 10 DJCBRN Cc1ccccc1/C=C1\SC(=S)N(C2CCCCC2)C1=O ZINC000059459823 256539639 /nfs/dbraw/zinc/53/96/39/256539639.db2.gz QYPDDTRPXFGQLH-PTNGSMBKSA-N 0 0 317.479 4.529 40 10 DJCBRN Nc1ccc(Nc2ccnc3ccc(C(F)(F)F)cc32)cc1 ZINC000064875341 257128333 /nfs/dbraw/zinc/12/83/33/257128333.db2.gz VDYQREZXDGORDO-UHFFFAOYSA-N 0 0 303.287 4.579 40 10 DJCBRN CCc1ccc(NC2=NC(=O)C(=Cc3cccc(C)c3)S2)cc1 ZINC000039870219 257217450 /nfs/dbraw/zinc/21/74/50/257217450.db2.gz SMOFUZABMQFHTL-ATVHPVEESA-N 0 0 322.433 4.640 40 10 DJCBRN CCc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 ZINC000409165239 257221574 /nfs/dbraw/zinc/22/15/74/257221574.db2.gz VDRKEWJDSWNESJ-SXGZJXTBSA-N 0 0 320.392 4.984 40 10 DJCBRN FC(F)(F)c1cccc2c1N[C@H](c1ccncc1)[C@H]1CC=C[C@@H]21 ZINC000409165093 257221620 /nfs/dbraw/zinc/22/16/20/257221620.db2.gz SFQFNYVGCCIDHS-DVOMOZLQSA-N 0 0 316.326 4.927 40 10 DJCBRN FC(F)(F)c1cccc2c1N[C@H](c1cccnc1)[C@H]1CC=C[C@@H]21 ZINC000409152664 257221799 /nfs/dbraw/zinc/22/17/99/257221799.db2.gz FWTDFBMUNCZAIX-DVOMOZLQSA-N 0 0 316.326 4.927 40 10 DJCBRN Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@@H]21 ZINC000409165339 257221900 /nfs/dbraw/zinc/22/19/00/257221900.db2.gz WTFSSGXRWZLRGO-LPMFXHHGSA-N 0 0 324.355 4.869 40 10 DJCBRN CCc1cccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@@H]21 ZINC000409159584 257221982 /nfs/dbraw/zinc/22/19/82/257221982.db2.gz RFAZJFFBZXQAHT-UVFQYZLESA-N 0 0 320.392 4.984 40 10 DJCBRN COC(=O)c1ccc2c(c1C)N[C@H](c1ccccc1)[C@H]1CC=C[C@@H]21 ZINC000409153199 257222000 /nfs/dbraw/zinc/22/20/00/257222000.db2.gz LSCOPPBSQTYEIW-FUHIMQAGSA-N 0 0 319.404 4.608 40 10 DJCBRN Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@@H]21 ZINC000409165340 257222038 /nfs/dbraw/zinc/22/20/38/257222038.db2.gz WTFSSGXRWZLRGO-TYILLQQXSA-N 0 0 324.355 4.869 40 10 DJCBRN Cc1ccc(C2=C/C(=C\c3cccc(Cl)c3)C(=O)O2)c(C)c1 ZINC000409052308 257224100 /nfs/dbraw/zinc/22/41/00/257224100.db2.gz JHYBWEFPPMDNIB-OQLLNIDSSA-N 0 0 310.780 4.938 40 10 DJCBRN O=C1OC(c2ccccc2)=C/C1=C\c1c(O)ccc2ccccc12 ZINC000409050852 257224128 /nfs/dbraw/zinc/22/41/28/257224128.db2.gz BGHJAMDNUCUTFP-FOWTUZBSSA-N 0 0 314.340 4.527 40 10 DJCBRN Cc1ccc(C2=C/C(=C\c3ccccc3Cl)C(=O)O2)c(C)c1 ZINC000409053975 257224376 /nfs/dbraw/zinc/22/43/76/257224376.db2.gz KYMXQPBQEVLROM-XNTDXEJSSA-N 0 0 310.780 4.938 40 10 DJCBRN O=[N+]([O-])c1ccccc1[C@@H]1Nc2ccc(F)cc2[C@@H]2C=CC[C@H]21 ZINC000250186448 257214060 /nfs/dbraw/zinc/21/40/60/257214060.db2.gz GRDLBGBBMQJSAV-SNUQEOBHSA-N 0 0 310.328 4.560 40 10 DJCBRN Cc1cccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c1 ZINC000009189192 563352178 /nfs/dbraw/zinc/35/21/78/563352178.db2.gz GLGCXUFBPDSLEK-PTNGSMBKSA-N 0 0 317.479 4.529 40 10 DJCBRN Nc1ccc(/N=N\c2cccc3c2Oc2ccccc2O3)c(N)n1 ZINC000104229738 563563367 /nfs/dbraw/zinc/56/33/67/563563367.db2.gz WWWIHMIRJCCOJK-DQRAZIAOSA-N 0 0 319.324 4.559 40 10 DJCBRN CCc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000006943643 563595175 /nfs/dbraw/zinc/59/51/75/563595175.db2.gz RHYPJQFOPQPMFE-ZWOKBUDYSA-N 0 0 320.392 4.984 40 10 DJCBRN FC(F)(F)c1cccc2c1N[C@H](c1ccncc1)[C@H]1CC=C[C@H]21 ZINC000006971371 563596653 /nfs/dbraw/zinc/59/66/53/563596653.db2.gz SFQFNYVGCCIDHS-HEHGZKQESA-N 0 0 316.326 4.927 40 10 DJCBRN FC(F)(F)c1cccc2c1N[C@H](c1cccnc1)[C@H]1CC=C[C@H]21 ZINC000006971368 563597021 /nfs/dbraw/zinc/59/70/21/563597021.db2.gz FWTDFBMUNCZAIX-HEHGZKQESA-N 0 0 316.326 4.927 40 10 DJCBRN COC(=O)c1ccc2c(c1C)N[C@H](c1ccccc1)[C@@H]1CC=C[C@H]21 ZINC000006960429 563921718 /nfs/dbraw/zinc/92/17/18/563921718.db2.gz LSCOPPBSQTYEIW-SQGPQFPESA-N 0 0 319.404 4.608 40 10 DJCBRN O=[N+]([O-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2 ZINC000004601349 181129552 /nfs/dbraw/zinc/12/95/52/181129552.db2.gz HLIJPHZYWLPZON-DAYGRLMNSA-N 0 0 310.328 4.560 40 10 DJCBRN O=[N+]([O-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 ZINC000004601347 181129147 /nfs/dbraw/zinc/12/91/47/181129147.db2.gz HLIJPHZYWLPZON-HDMKZQKVSA-N 0 0 310.328 4.560 40 10 DJCBRN O=[N+]([O-])c1ccccc1[C@@H]1Nc2c(F)cccc2[C@H]2C=CC[C@H]21 ZINC000014478106 181954924 /nfs/dbraw/zinc/95/49/24/181954924.db2.gz SZAUYQKHIAJWBN-XWCIJXRUSA-N 0 0 310.328 4.560 40 10 DJCBRN CC(=O)N(C(C)=O)c1ccc(/N=N\c2ccccc2C)cc1C ZINC000016362544 182042182 /nfs/dbraw/zinc/04/21/82/182042182.db2.gz YIEDSISPYKQADU-VXPUYCOJSA-N 0 0 309.369 4.618 40 10 DJCBRN CC(=O)N(C)c1ccc(/N=N/c2ccc3ncccc3c2)cc1 ZINC000017857871 182086899 /nfs/dbraw/zinc/08/68/99/182086899.db2.gz DMUWCUMPBHNURH-QZQOTICOSA-N 0 0 304.353 4.633 40 10 DJCBRN CCN(CC)c1ccc(CNc2ccc(F)c(Cl)c2)cc1 ZINC000020310601 182205795 /nfs/dbraw/zinc/20/57/95/182205795.db2.gz ZISITGBPPFJFHT-UHFFFAOYSA-N 0 0 306.812 4.937 40 10 DJCBRN COc1ccc(C)c2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@@H]21 ZINC000409175812 257221118 /nfs/dbraw/zinc/22/11/18/257221118.db2.gz VEENZDWULOECEA-JTDSTZFVSA-N 0 0 309.384 4.969 40 10 DJCBRN Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@@H]21 ZINC000409155390 257221644 /nfs/dbraw/zinc/22/16/44/257221644.db2.gz QZGMAZRZQQJPOH-GPMSIDNRSA-N 0 0 324.355 4.869 40 10 DJCBRN COc1ccc(C)c2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21 ZINC000409168636 257221699 /nfs/dbraw/zinc/22/16/99/257221699.db2.gz NIYADONCGOAQFU-TXPKVOOTSA-N 0 0 309.384 4.969 40 10 DJCBRN COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 ZINC000409168745 257221702 /nfs/dbraw/zinc/22/17/02/257221702.db2.gz NHPNOQPROQMVEA-GUXCAODWSA-N 0 0 319.404 4.608 40 10 DJCBRN CCc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 ZINC000409165238 257221745 /nfs/dbraw/zinc/22/17/45/257221745.db2.gz VDRKEWJDSWNESJ-SIFCLUCFSA-N 0 0 320.392 4.984 40 10 DJCBRN FC(F)(F)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccn1)N2 ZINC000409167966 257221863 /nfs/dbraw/zinc/22/18/63/257221863.db2.gz KMCUOFZXCLRFLD-XNJGSVPQSA-N 0 0 316.326 4.927 40 10 DJCBRN COc1cccc([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@@H]32)c1 ZINC000409151743 257221997 /nfs/dbraw/zinc/22/19/97/257221997.db2.gz CZXGKKFBHTVXRS-VKJFTORMSA-N 0 0 313.347 4.800 40 10 DJCBRN CCC1(c2c(C)c(C)c(C)c(C)c2C)C(=O)c2ccccc2C1=O ZINC000408733554 257227485 /nfs/dbraw/zinc/22/74/85/257227485.db2.gz JOKYKJFLSZOJCZ-UHFFFAOYSA-N 0 0 320.432 4.956 40 10 DJCBRN O=C1OC(c2cccc3ccccc32)=C/C1=C/c1ccc(F)cc1 ZINC000408723233 257228103 /nfs/dbraw/zinc/22/81/03/257228103.db2.gz ROKYVSWYDRZOTC-VBKFSLOCSA-N 0 0 316.331 4.960 40 10 DJCBRN Cc1ccc(-c2ccc(F)c(F)c2)n1-c1ccc(N(C)C)cc1 ZINC000228930020 257214500 /nfs/dbraw/zinc/21/45/00/257214500.db2.gz UDLISKSDLVKZTB-UHFFFAOYSA-N 0 0 312.363 4.797 40 10 DJCBRN COc1ccccc1[C@@H]1Nc2c(F)cc(F)cc2[C@H]2C=CC[C@@H]21 ZINC000008169420 563607001 /nfs/dbraw/zinc/60/70/01/563607001.db2.gz MHUMOYPKQYGXRM-ZJNRKIDTSA-N 0 0 313.347 4.800 40 10 DJCBRN Cc1ccc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@H]3C=CC[C@H]32)cc1 ZINC000006966460 563639904 /nfs/dbraw/zinc/63/99/04/563639904.db2.gz SAIRPPPZTUITPR-DAYGRLMNSA-N 0 0 306.365 4.730 40 10 DJCBRN O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccc(Cl)cc1 ZINC000033845259 563770070 /nfs/dbraw/zinc/77/00/70/563770070.db2.gz FVKNBYKHNNEYAJ-UKTHLTGXSA-N 0 0 317.171 4.975 40 10 DJCBRN COC1=CC(=NNc2ccc(C)c(Cl)c2)C=C(C=O)C1=O ZINC000070461983 563812906 /nfs/dbraw/zinc/81/29/06/563812906.db2.gz NWQNARWBGNZRNT-ISLYRVAYSA-N 0 0 304.733 4.591 40 10 DJCBRN FC(F)(F)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccn1)N2 ZINC000000802461 563854551 /nfs/dbraw/zinc/85/45/51/563854551.db2.gz KMCUOFZXCLRFLD-IGCXYCKISA-N 0 0 316.326 4.927 40 10 DJCBRN O=[N+]([O-])c1cccc2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@H]21 ZINC000006970103 563921907 /nfs/dbraw/zinc/92/19/07/563921907.db2.gz IFEYTHBEGYYOTC-GRDNDAEWSA-N 0 0 310.328 4.560 40 10 DJCBRN Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@H]21 ZINC000006963522 563921911 /nfs/dbraw/zinc/92/19/11/563921911.db2.gz QZGMAZRZQQJPOH-FRQCXROJSA-N 0 0 324.355 4.869 40 10 DJCBRN FC(F)(F)c1cccc2c1N[C@H](c1ccccn1)[C@H]1CC=C[C@H]21 ZINC000007099966 563921932 /nfs/dbraw/zinc/92/19/32/563921932.db2.gz GYBNCPQYNUUIAS-ZUCKAHLUSA-N 0 0 316.326 4.927 40 10 DJCBRN COc1cccc([C@@H]2Nc3c(F)cc(F)cc3[C@H]3C=CC[C@@H]32)c1 ZINC000008168458 563922247 /nfs/dbraw/zinc/92/22/47/563922247.db2.gz CZXGKKFBHTVXRS-MPGHIAIKSA-N 0 0 313.347 4.800 40 10 DJCBRN Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@H]21 ZINC000006963528 190627011 /nfs/dbraw/zinc/62/70/11/190627011.db2.gz KDSOCONBWBIUGP-FRQCXROJSA-N 0 0 306.365 4.730 40 10 DJCBRN Cc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000004008026 181062265 /nfs/dbraw/zinc/06/22/65/181062265.db2.gz ZJHLKJLAMBBYBN-BXWFABGCSA-N 0 0 306.365 4.730 40 10 DJCBRN O=[N+]([O-])c1ccc([C@H]2Nc3c(F)cccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000004110457 181074799 /nfs/dbraw/zinc/07/47/99/181074799.db2.gz QCGXPWPZURKTAY-GRDNDAEWSA-N 0 0 310.328 4.560 40 10 DJCBRN COC(=O)c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000004455938 181110448 /nfs/dbraw/zinc/11/04/48/181110448.db2.gz WKEYSLKSQAMKKJ-UWVAXJGDSA-N 0 0 319.404 4.608 40 10 DJCBRN Cc1cc(C(=O)C(F)(F)F)c(C)n1-c1ccc(C(C)C)cc1 ZINC000041543211 183201353 /nfs/dbraw/zinc/20/13/53/183201353.db2.gz LXDIQURFFQZBAS-UHFFFAOYSA-N 0 0 309.331 4.963 40 10 DJCBRN Nc1ccc(Oc2ccnc3c2cccc3C(F)(F)F)cc1 ZINC000064875288 257128110 /nfs/dbraw/zinc/12/81/10/257128110.db2.gz HZJNSLGQCHLPPV-UHFFFAOYSA-N 0 0 304.271 4.628 40 10 DJCBRN Nc1ccc(Oc2ccnc3cc(C(F)(F)F)ccc32)cc1 ZINC000064875278 257128298 /nfs/dbraw/zinc/12/82/98/257128298.db2.gz IIGWISFGERNRHS-UHFFFAOYSA-N 0 0 304.271 4.628 40 10 DJCBRN CCc1ccc(NC2=NC(=O)C(=Cc3ccccc3C)S2)cc1 ZINC000039870218 257217550 /nfs/dbraw/zinc/21/75/50/257217550.db2.gz POKSAGVLEZBDOK-ATVHPVEESA-N 0 0 322.433 4.640 40 10 DJCBRN FC(F)(F)c1cccc2c1N[C@H](c1ccccn1)[C@@H]1CC=C[C@@H]21 ZINC000409151177 257222051 /nfs/dbraw/zinc/22/20/51/257222051.db2.gz GYBNCPQYNUUIAS-PPHDSNJXSA-N 0 0 316.326 4.927 40 10 DJCBRN Cc1ccc(C2=C/C(=C\c3ccccc3Cl)C(=O)O2)cc1C ZINC000409052414 257224086 /nfs/dbraw/zinc/22/40/86/257224086.db2.gz HCSZDVPKKGJUMG-MHWRWJLKSA-N 0 0 310.780 4.938 40 10 DJCBRN O=C1OC(c2ccc(F)cc2)=C/C1=C\c1cccc2ccccc12 ZINC000409053646 257224159 /nfs/dbraw/zinc/22/41/59/257224159.db2.gz NULLENAUVYZCJG-SFQUDFHCSA-N 0 0 316.331 4.960 40 10 DJCBRN CCC1(c2cc(C)c(C)c(C)c2C)C(=O)c2ccccc2C1=O ZINC000408734443 257227211 /nfs/dbraw/zinc/22/72/11/257227211.db2.gz YFNAYAPTJDLNHT-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/92/16/44/563921644.db2.gz GRSSZWIPDDVUBY-BXWFABGCSA-N 0 0 320.392 4.984 40 10 DJCBRN O=[N+]([O-])c1cccc2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@H]21 ZINC000006970089 563921900 /nfs/dbraw/zinc/92/19/00/563921900.db2.gz IFEYTHBEGYYOTC-JJRVBVJISA-N 0 0 310.328 4.560 40 10 DJCBRN FC(F)(F)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccnc1)N2 ZINC000004168273 181081231 /nfs/dbraw/zinc/08/12/31/181081231.db2.gz LGMXDHBBBILZKB-GRDNDAEWSA-N 0 0 316.326 4.927 40 10 DJCBRN CC(C)n1c(/C=C/c2ccc(N(C)C)cc2)nc2ccccc21 ZINC000005235205 181219795 /nfs/dbraw/zinc/21/97/95/181219795.db2.gz TXFSCAKPXVBGIY-SDNWHVSQSA-N 0 0 305.425 4.854 40 10 DJCBRN COC(=O)CCc1[nH]c2ccccc2c1/N=N/c1ccccc1 ZINC000005320154 181229146 /nfs/dbraw/zinc/22/91/46/181229146.db2.gz WNRUAWMUMITYIM-QZQOTICOSA-N 0 0 307.353 4.689 40 10 DJCBRN COc1ccc(OC)c(NN=C2C(=O)C=Cc3ccccc32)c1 ZINC000005733059 181278700 /nfs/dbraw/zinc/27/87/00/181278700.db2.gz GJUABKCEXOMRPQ-FMQUCBEESA-N 0 0 308.337 4.978 40 10 endogenous,in-man DJCBRN COC(=O)c1ccccc1NN=Nc1ccc(C)c(Cl)c1 ZINC000017023279 182068430 /nfs/dbraw/zinc/06/84/30/182068430.db2.gz BBBQODHWQZLOSL-UHFFFAOYSA-N 0 0 303.749 4.546 40 10 DJCBRN Nc1ccc(/N=N/c2cccc3c2Oc2ccccc2O3)c(N)n1 ZINC000017139598 182077183 /nfs/dbraw/zinc/07/71/83/182077183.db2.gz WWWIHMIRJCCOJK-QURGRASLSA-N 0 0 319.324 4.559 40 10 DJCBRN CCc1cccc2c(/C=C3\c4ccccc4N(CC)C3=O)c[nH]c21 ZINC000409197865 257221159 /nfs/dbraw/zinc/22/11/59/257221159.db2.gz QNEQGEDYDCMSMD-LDADJPATSA-N 0 0 316.404 4.637 40 10 DJCBRN FC(F)(F)c1cccc2c1N[C@H](c1ccncc1)[C@@H]1CC=C[C@@H]21 ZINC000409165094 257221819 /nfs/dbraw/zinc/22/18/19/257221819.db2.gz SFQFNYVGCCIDHS-XJKCOSOUSA-N 0 0 316.326 4.927 40 10 DJCBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(F)c1)N2 ZINC000409167602 257221836 /nfs/dbraw/zinc/22/18/36/257221836.db2.gz IUKBHMGCMBDQNA-RVKKMQEKSA-N 0 0 310.328 4.560 40 10 DJCBRN Fc1ccc([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000409156028 257221851 /nfs/dbraw/zinc/22/18/51/257221851.db2.gz KAWWTPSIQABGMM-KEYYUXOJSA-N 0 0 301.311 4.930 40 10 DJCBRN COc1cc(/C=C2\C=C(c3cc(C)ccc3C)OC2=O)ccc1C ZINC000409053057 257223985 /nfs/dbraw/zinc/22/39/85/257223985.db2.gz WQXAUYKQYRFKID-LICLKQGHSA-N 0 0 320.388 4.602 40 10 DJCBRN COc1ccc(C2=C/C(=C\c3ccc(C(C)C)cc3)C(=O)O2)cc1 ZINC000408741986 257226498 /nfs/dbraw/zinc/22/64/98/257226498.db2.gz MHQUQPBSPUBADS-LDADJPATSA-N 0 0 320.388 4.800 40 10 DJCBRN Cc1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 ZINC000001022860 563275466 /nfs/dbraw/zinc/27/54/66/563275466.db2.gz JXKKNDYTETZPSK-IEZWGBDMSA-N 0 0 306.365 4.730 40 10 DJCBRN [N-]=[N+]=N[P@@]1(=O)OC(c2ccccc2)=CCN1c1ccccc1 ZINC000005707108 563330423 /nfs/dbraw/zinc/33/04/23/563330423.db2.gz DFOMIQWZCLKTLU-JOCHJYFZSA-N 0 0 312.269 4.983 40 10 DJCBRN Cc1ccc2c(c1S/C=C\Cl)C(=O)c1ccccc1C2=O ZINC000013403400 563381098 /nfs/dbraw/zinc/38/10/98/563381098.db2.gz TWIUKFRNINBUOX-HJWRWDBZSA-N 0 0 314.793 4.573 40 10 DJCBRN O=[N+]([O-])c1ccc(/N=N\c2nnc(Cl)c3ccccc32)cc1 ZINC000100501568 563551442 /nfs/dbraw/zinc/55/14/42/563551442.db2.gz QLGHSDOTBIDQBA-VLGSPTGOSA-N 0 0 313.704 4.607 40 10 DJCBRN CCc1ccccc1NC(=O)c1cccc(-n2c(C)ccc2C)c1 ZINC000007468201 563597899 /nfs/dbraw/zinc/59/78/99/563597899.db2.gz JLJWWAZEGSHAOI-UHFFFAOYSA-N 0 0 318.420 4.909 40 10 DJCBRN CC1=NN(c2ccccc2)C(=S)C1=CNc1ccc(C)cc1 ZINC000000308137 563607450 /nfs/dbraw/zinc/60/74/50/563607450.db2.gz IWUBFYDIQFMQOW-ATVHPVEESA-N 0 0 307.422 4.514 40 10 DJCBRN OCc1ccc(CC2CCCCC2)n1Cc1ccc(Cl)cc1 ZINC000226024396 563767844 /nfs/dbraw/zinc/76/78/44/563767844.db2.gz HLUPUJCPOYDCIR-UHFFFAOYSA-N 0 0 317.860 4.805 40 10 DJCBRN COc1cccc(-n2c(C)ccc2-c2ccc(OC)c(F)c2)c1 ZINC000199744233 563914546 /nfs/dbraw/zinc/91/45/46/563914546.db2.gz MEIXRJGHZFTMDQ-UHFFFAOYSA-N 0 0 311.356 4.609 40 10 DJCBRN Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@H]21 ZINC000006963535 563921968 /nfs/dbraw/zinc/92/19/68/563921968.db2.gz WTFSSGXRWZLRGO-KSMMKXTCSA-N 0 0 324.355 4.869 40 10 DJCBRN COc1cccc(/N=N\c2sc(N)nc2-c2ccccc2)c1 ZINC000104108805 563960516 /nfs/dbraw/zinc/96/05/16/563960516.db2.gz ICWLRERHAJYQMT-VXPUYCOJSA-N 0 0 310.382 4.816 40 10 DJCBRN