smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCC(CCCCC)=NOC ZINC000167611310 673942602 /nfs/dbraw/zinc/94/26/02/673942602.db2.gz LBTWTLWWKVEROU-UHFFFAOYSA-N 0 0 199.338 4.149 20 30 AIEDRN CCCCCCCC[C@@H](C)OCC ZINC000168907871 757018239 /nfs/dbraw/zinc/01/82/39/757018239.db2.gz CZMGLSVUJWHROB-GFCCVEGCSA-N 0 0 186.339 4.162 20 30 AIEDRN CCCCCCCC[C@H](C)OCC ZINC000168907963 757019084 /nfs/dbraw/zinc/01/90/84/757019084.db2.gz CZMGLSVUJWHROB-LBPRGKRZSA-N 0 0 186.339 4.162 20 30 AIEDRN C=CCCSc1ccc(Cl)cc1 ZINC000200251427 344362946 /nfs/dbraw/zinc/36/29/46/344362946.db2.gz DTKHUOSJOMGMDY-UHFFFAOYSA-N 0 0 198.718 4.008 20 30 AIEDRN C=CCCSc1ccccc1Cl ZINC000200322770 538183802 /nfs/dbraw/zinc/18/38/02/538183802.db2.gz APGZROZXKMGNKW-UHFFFAOYSA-N 0 0 198.718 4.008 20 30 AIEDRN C=CCCSc1cccc(Cl)c1 ZINC000201219531 344364636 /nfs/dbraw/zinc/36/46/36/344364636.db2.gz DQTSKVQUNZVNTH-UHFFFAOYSA-N 0 0 198.718 4.008 20 30 AIEDRN C=C(C)CSc1cccc(Cl)c1 ZINC000306432484 345291976 /nfs/dbraw/zinc/29/19/76/345291976.db2.gz SWVBBESMTFHVGX-UHFFFAOYSA-N 0 0 198.718 4.008 20 30 AIEDRN C=C(C)CSc1ccc(Cl)cc1 ZINC000306553188 351945434 /nfs/dbraw/zinc/94/54/34/351945434.db2.gz KWAKVGKDSFVEER-UHFFFAOYSA-N 0 0 198.718 4.008 20 30 AIEDRN C=C(C)CSc1ccccc1Cl ZINC000306685613 345546889 /nfs/dbraw/zinc/54/68/89/345546889.db2.gz CLWJXSXMZKHNPO-UHFFFAOYSA-N 0 0 198.718 4.008 20 30 AIEDRN C=C(C)CCSC1CCCCC1 ZINC000307928975 346236083 /nfs/dbraw/zinc/23/60/83/346236083.db2.gz AZQKKFWTQGYIQH-UHFFFAOYSA-N 0 0 184.348 4.019 20 30 AIEDRN C=C(C)CSCCC(C)(C)CC ZINC000307944125 346239070 /nfs/dbraw/zinc/23/90/70/346239070.db2.gz GLAHEAYLBPVXLK-UHFFFAOYSA-N 0 0 186.364 4.122 20 30 AIEDRN CCCCCCCSCCCF ZINC000307975409 572327246 /nfs/dbraw/zinc/32/72/46/572327246.db2.gz KNERRTDLTYQFSD-UHFFFAOYSA-N 0 0 192.343 4.050 20 30 AIEDRN C=CCSc1ccc(C(C)C)cc1 ZINC000308136111 352043756 /nfs/dbraw/zinc/04/37/56/352043756.db2.gz FKCSFCMPUFPGFW-UHFFFAOYSA-N 0 0 192.327 4.088 20 30 AIEDRN C=CCS[C@H](CC)c1ccccc1 ZINC000308248961 346275334 /nfs/dbraw/zinc/27/53/34/346275334.db2.gz AMYLXMVAFWGGBJ-GFCCVEGCSA-N 0 0 192.327 4.057 20 30 AIEDRN C=CCS[C@@H](CC)c1ccccc1 ZINC000308248966 346275474 /nfs/dbraw/zinc/27/54/74/346275474.db2.gz AMYLXMVAFWGGBJ-LBPRGKRZSA-N 0 0 192.327 4.057 20 30 AIEDRN C=CCCS[C@H](C)c1ccccc1 ZINC000308302050 346284850 /nfs/dbraw/zinc/28/48/50/346284850.db2.gz MIRPAFMHQIKHBR-LLVKDONJSA-N 0 0 192.327 4.057 20 30 AIEDRN C=CCCS[C@@H](C)c1ccccc1 ZINC000308302053 346284874 /nfs/dbraw/zinc/28/48/74/346284874.db2.gz MIRPAFMHQIKHBR-NSHDSACASA-N 0 0 192.327 4.057 20 30 AIEDRN C=CCCCSc1ccc(C)cc1 ZINC000308309722 346286593 /nfs/dbraw/zinc/28/65/93/346286593.db2.gz QRLSWFSMFOQGBK-UHFFFAOYSA-N 0 0 192.327 4.053 20 30 AIEDRN C=CCCCSc1ccccc1C ZINC000308355055 346291856 /nfs/dbraw/zinc/29/18/56/346291856.db2.gz AVNAMBXMSJQICS-UHFFFAOYSA-N 0 0 192.327 4.053 20 30 AIEDRN C=CCCCSc1cccc(C)c1 ZINC000308377588 346294567 /nfs/dbraw/zinc/29/45/67/346294567.db2.gz ONKRTEGZOSCXQV-UHFFFAOYSA-N 0 0 192.327 4.053 20 30 AIEDRN C=CCCS[C@H](C)c1cccs1 ZINC000379317990 697812015 /nfs/dbraw/zinc/81/20/15/697812015.db2.gz ISUWXUZXVRXXJB-SECBINFHSA-N 0 0 198.356 4.118 20 30 AIEDRN C=CCCS[C@@H](C)c1cccs1 ZINC000379317991 697811953 /nfs/dbraw/zinc/81/19/53/697811953.db2.gz ISUWXUZXVRXXJB-VIFPVBQESA-N 0 0 198.356 4.118 20 30 AIEDRN C=CCCSCCC(C)(C)CC ZINC000379320493 346495514 /nfs/dbraw/zinc/49/55/14/346495514.db2.gz WUMXLNBEGWTDMG-UHFFFAOYSA-N 0 0 186.364 4.122 20 30 AIEDRN C=CCCSC(CCC)CCC ZINC000379331582 346499939 /nfs/dbraw/zinc/49/99/39/346499939.db2.gz DISACLNRBFOJNG-UHFFFAOYSA-N 0 0 186.364 4.265 20 30 AIEDRN C=C(C)CS[C@H](C)c1ccccc1 ZINC000379367161 346507895 /nfs/dbraw/zinc/50/78/95/346507895.db2.gz LYFHLBZCEMFDOE-LLVKDONJSA-N 0 0 192.327 4.057 20 30 AIEDRN C=C(C)CS[C@@H](C)c1ccccc1 ZINC000379367164 346507502 /nfs/dbraw/zinc/50/75/02/346507502.db2.gz LYFHLBZCEMFDOE-NSHDSACASA-N 0 0 192.327 4.057 20 30 AIEDRN C=CCCCSC1CCCCC1 ZINC000388439680 346555335 /nfs/dbraw/zinc/55/53/35/346555335.db2.gz RQNGKZVRUWOIRD-UHFFFAOYSA-N 0 0 184.348 4.019 20 30 AIEDRN C=C(C)CS[C@H](C)c1cccs1 ZINC000388493569 697970482 /nfs/dbraw/zinc/97/04/82/697970482.db2.gz IOQKXQVRWJGNAV-SECBINFHSA-N 0 0 198.356 4.118 20 30 AIEDRN C=C(C)CS[C@@H](C)c1cccs1 ZINC000388493576 697970325 /nfs/dbraw/zinc/97/03/25/697970325.db2.gz IOQKXQVRWJGNAV-VIFPVBQESA-N 0 0 198.356 4.118 20 30 AIEDRN C=C(C)CSC(CCC)CCC ZINC000393334766 346576184 /nfs/dbraw/zinc/57/61/84/346576184.db2.gz ZQDVKYNVJLDAJH-UHFFFAOYSA-N 0 0 186.364 4.265 20 30 AIEDRN C=C(C)c1cccc([C@@H](C)C(F)F)c1 ZINC000665177902 409846547 /nfs/dbraw/zinc/84/65/47/409846547.db2.gz SRVCJOWICAVTIA-SECBINFHSA-N 0 0 196.240 4.088 20 30 AIEDRN C=C(C)c1cccc([C@H](C)C(F)F)c1 ZINC000665177910 409847520 /nfs/dbraw/zinc/84/75/20/409847520.db2.gz SRVCJOWICAVTIA-VIFPVBQESA-N 0 0 196.240 4.088 20 30 AIEDRN CCC(C=NOC(C)(C)C)(CC)CC ZINC001117742607 757635108 /nfs/dbraw/zinc/63/51/08/757635108.db2.gz SUKZESDSFBQOEB-UHFFFAOYSA-N 0 0 199.338 4.004 20 30 AIEDRN C=C(CC)CSc1ccc(C)cc1 ZINC001164658444 760856510 /nfs/dbraw/zinc/85/65/10/760856510.db2.gz AQIAMYSIFQDLFL-UHFFFAOYSA-N 0 0 192.327 4.053 20 30 AIEDRN C=C(C)c1ccccc1Nc1ccoc1 ZINC001173937340 761313675 /nfs/dbraw/zinc/31/36/75/761313675.db2.gz WOWIPWNTIKKKLN-UHFFFAOYSA-N 0 0 199.253 4.056 20 30 AIEDRN C=C(C)c1ccccc1NC1=CCCC1 ZINC001173998781 761319158 /nfs/dbraw/zinc/31/91/58/761319158.db2.gz CBVMPPOVGPPNJB-UHFFFAOYSA-N 0 0 199.297 4.199 20 30 AIEDRN C=C(C)c1ccccc1NC=C(C)C ZINC001174555687 761345614 /nfs/dbraw/zinc/34/56/14/761345614.db2.gz IBJOGCZGQZAFGI-UHFFFAOYSA-N 0 0 187.286 4.055 20 30 AIEDRN C=C(C)Nc1c(C)ccc2ccccc21 ZINC001174790250 761389749 /nfs/dbraw/zinc/38/97/49/761389749.db2.gz NLLBOCYHCIWEQN-UHFFFAOYSA-N 0 0 197.281 4.094 20 30 AIEDRN C=C(C)Nc1cccc2cc(C)ccc21 ZINC001174794182 761392937 /nfs/dbraw/zinc/39/29/37/761392937.db2.gz CVWFLUVTIOVKIZ-UHFFFAOYSA-N 0 0 197.281 4.094 20 30 AIEDRN C=C(C)Nc1cccc2ccc(C)cc21 ZINC001174794219 761391712 /nfs/dbraw/zinc/39/17/12/761391712.db2.gz BBFBRJQPRQYGKT-UHFFFAOYSA-N 0 0 197.281 4.094 20 30 AIEDRN C=C(C)Nc1ccc(C)c2ccccc12 ZINC001174794939 761396034 /nfs/dbraw/zinc/39/60/34/761396034.db2.gz MSHQMTNNBIAZLE-UHFFFAOYSA-N 0 0 197.281 4.094 20 30 AIEDRN C=C(C)Nc1cc2ccccc2cc1C ZINC001174795028 761398780 /nfs/dbraw/zinc/39/87/80/761398780.db2.gz MYVLFPVWCSDUBT-UHFFFAOYSA-N 0 0 197.281 4.094 20 30 AIEDRN C=C(C)Nc1cccc2cccc(C)c21 ZINC001174795779 761396743 /nfs/dbraw/zinc/39/67/43/761396743.db2.gz SNDXIJRJTFOITP-UHFFFAOYSA-N 0 0 197.281 4.094 20 30 AIEDRN C=CC[C@@H](C)Sc1ccccc1C ZINC001188668665 761589130 /nfs/dbraw/zinc/58/91/30/761589130.db2.gz CRKZJIZDPMUEAE-LLVKDONJSA-N 0 0 192.327 4.052 20 30 AIEDRN C=CC[C@H](C)Sc1ccccc1C ZINC001188668666 761590373 /nfs/dbraw/zinc/59/03/73/761590373.db2.gz CRKZJIZDPMUEAE-NSHDSACASA-N 0 0 192.327 4.052 20 30 AIEDRN C=CC[C@@H](C)SCC1CCCCC1 ZINC001188675590 761591378 /nfs/dbraw/zinc/59/13/78/761591378.db2.gz AVLMUSAOISMCAI-LLVKDONJSA-N 0 0 198.375 4.265 20 30 AIEDRN C=CC[C@H](C)SCC1CCCCC1 ZINC001188675591 761588041 /nfs/dbraw/zinc/58/80/41/761588041.db2.gz AVLMUSAOISMCAI-NSHDSACASA-N 0 0 198.375 4.265 20 30 AIEDRN C=CC[C@@H](C)SCCCC(C)C ZINC001189060600 761587843 /nfs/dbraw/zinc/58/78/43/761587843.db2.gz CILSSUVCOZNITP-LLVKDONJSA-N 0 0 186.364 4.120 20 30 AIEDRN C=CC[C@H](C)SCCCC(C)C ZINC001189060601 761589308 /nfs/dbraw/zinc/58/93/08/761589308.db2.gz CILSSUVCOZNITP-NSHDSACASA-N 0 0 186.364 4.120 20 30 AIEDRN C=CCCCCSCC=C(C)C ZINC001189245744 761589937 /nfs/dbraw/zinc/58/99/37/761589937.db2.gz OYMGTQZFRGLVLN-UHFFFAOYSA-N 0 0 184.348 4.042 20 30 AIEDRN C=C(C)CCS[C@H](CC)CCC ZINC001189265360 761587767 /nfs/dbraw/zinc/58/77/67/761587767.db2.gz BWMRJORYSSVUAY-LLVKDONJSA-N 0 0 186.364 4.265 20 30 AIEDRN C=C(C)CCS[C@@H](CC)CCC ZINC001189265361 761589401 /nfs/dbraw/zinc/58/94/01/761589401.db2.gz BWMRJORYSSVUAY-NSHDSACASA-N 0 0 186.364 4.265 20 30 AIEDRN C=C[C@H](CCCCCCC)OC(C)C ZINC001204610333 761856432 /nfs/dbraw/zinc/85/64/32/761856432.db2.gz AUHHWCOELOHGBM-CYBMUJFWSA-N 0 0 198.350 4.327 20 30 AIEDRN C=C[C@@H](CCCCCCC)OC(C)C ZINC001204610335 761855435 /nfs/dbraw/zinc/85/54/35/761855435.db2.gz AUHHWCOELOHGBM-ZDUSSCGKSA-N 0 0 198.350 4.327 20 30 AIEDRN C=CCCCCCC[C@@H](C)OC(C)C ZINC001204610970 761858367 /nfs/dbraw/zinc/85/83/67/761858367.db2.gz IDSXTPVOOQKBDN-CYBMUJFWSA-N 0 0 198.350 4.327 20 30 AIEDRN C=C[C@H](CCCCCC)O[C@H](C)CC ZINC001204630189 761861092 /nfs/dbraw/zinc/86/10/92/761861092.db2.gz PVUPYVMYPLAZIH-CHWSQXEVSA-N 0 0 198.350 4.327 20 30 AIEDRN C=C[C@@H](CCCCCC)O[C@H](C)CC ZINC001204630190 761861165 /nfs/dbraw/zinc/86/11/65/761861165.db2.gz PVUPYVMYPLAZIH-OLZOCXBDSA-N 0 0 198.350 4.327 20 30 AIEDRN C=C[C@H](CCCCCC)O[C@@H](C)CC ZINC001204630193 761860894 /nfs/dbraw/zinc/86/08/94/761860894.db2.gz PVUPYVMYPLAZIH-QWHCGFSZSA-N 0 0 198.350 4.327 20 30 AIEDRN C=C[C@@H](CCCCCC)O[C@@H](C)CC ZINC001204630194 761860449 /nfs/dbraw/zinc/86/04/49/761860449.db2.gz PVUPYVMYPLAZIH-STQMWFEESA-N 0 0 198.350 4.327 20 30 AIEDRN C=C[C@H](CCCCC)OCC(C)(C)C ZINC001204878013 761870419 /nfs/dbraw/zinc/87/04/19/761870419.db2.gz OPCCMVZOZCYEGV-GFCCVEGCSA-N 0 0 198.350 4.184 20 30 AIEDRN C=C[C@@H](CCCCC)OCC(C)(C)C ZINC001204878017 761869912 /nfs/dbraw/zinc/86/99/12/761869912.db2.gz OPCCMVZOZCYEGV-LBPRGKRZSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CC[C@H](CCCC)OCC(C)(C)C ZINC001204886492 761869644 /nfs/dbraw/zinc/86/96/44/761869644.db2.gz KAVJHNLYSJUOEQ-GFCCVEGCSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CC[C@@H](CCCC)OCC(C)(C)C ZINC001204886493 761870409 /nfs/dbraw/zinc/87/04/09/761870409.db2.gz KAVJHNLYSJUOEQ-LBPRGKRZSA-N 0 0 198.350 4.184 20 30 AIEDRN C=C[C@H](CCCCCC)OCC(C)C ZINC001204930775 761872275 /nfs/dbraw/zinc/87/22/75/761872275.db2.gz KSKRVZNBFAOMKV-CYBMUJFWSA-N 0 0 198.350 4.184 20 30 AIEDRN C=C[C@@H](CCCCCC)OCC(C)C ZINC001204930777 761873710 /nfs/dbraw/zinc/87/37/10/761873710.db2.gz KSKRVZNBFAOMKV-ZDUSSCGKSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CC[C@H](CCC)OCC(CC)CC ZINC001204938509 761872452 /nfs/dbraw/zinc/87/24/52/761872452.db2.gz HMHHYMPEJNTLIZ-CYBMUJFWSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CC[C@@H](CCC)OCC(CC)CC ZINC001204938510 761872536 /nfs/dbraw/zinc/87/25/36/761872536.db2.gz HMHHYMPEJNTLIZ-ZDUSSCGKSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCC[C@@H](CC)OCC(CC)CC ZINC001204945225 761874314 /nfs/dbraw/zinc/87/43/14/761874314.db2.gz SVJVWLLNXBYICL-CYBMUJFWSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCC[C@H](CC)OCC(CC)CC ZINC001204945236 761874433 /nfs/dbraw/zinc/87/44/33/761874433.db2.gz SVJVWLLNXBYICL-ZDUSSCGKSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CC[C@@H](OCC(CC)CC)C(C)C ZINC001204945311 761875279 /nfs/dbraw/zinc/87/52/79/761875279.db2.gz VJAATBXXIZEFHT-CYBMUJFWSA-N 0 0 198.350 4.040 20 30 AIEDRN C=CC[C@H](OCC(CC)CC)C(C)C ZINC001204945313 761873925 /nfs/dbraw/zinc/87/39/25/761873925.db2.gz VJAATBXXIZEFHT-ZDUSSCGKSA-N 0 0 198.350 4.040 20 30 AIEDRN C=C[C@H](CCCC)OCC(CC)CC ZINC001204945418 761873972 /nfs/dbraw/zinc/87/39/72/761873972.db2.gz XKEGMCQUELIVKF-CYBMUJFWSA-N 0 0 198.350 4.184 20 30 AIEDRN C=C[C@@H](CCCC)OCC(CC)CC ZINC001204945419 761874991 /nfs/dbraw/zinc/87/49/91/761874991.db2.gz XKEGMCQUELIVKF-ZDUSSCGKSA-N 0 0 198.350 4.184 20 30 AIEDRN C=C[C@H](CCCCC)OCC=C(C)C ZINC001205019673 761885810 /nfs/dbraw/zinc/88/58/10/761885810.db2.gz ZTFKTYHKDATUIJ-CYBMUJFWSA-N 0 0 196.334 4.104 20 30 AIEDRN C=C[C@@H](CCCCC)OCC=C(C)C ZINC001205019682 761884835 /nfs/dbraw/zinc/88/48/35/761884835.db2.gz ZTFKTYHKDATUIJ-ZDUSSCGKSA-N 0 0 196.334 4.104 20 30 AIEDRN C=CC[C@H](CCCC)OCC=C(C)C ZINC001205026036 761887537 /nfs/dbraw/zinc/88/75/37/761887537.db2.gz RJJYMZRCYPHYOM-CYBMUJFWSA-N 0 0 196.334 4.104 20 30 AIEDRN C=CC[C@@H](CCCC)OCC=C(C)C ZINC001205026042 761887126 /nfs/dbraw/zinc/88/71/26/761887126.db2.gz RJJYMZRCYPHYOM-ZDUSSCGKSA-N 0 0 196.334 4.104 20 30 AIEDRN C=CCO[C@H](C=C)CCCCCCC ZINC001205036808 761889373 /nfs/dbraw/zinc/88/93/73/761889373.db2.gz DWOOVFZJCAUDAF-CYBMUJFWSA-N 0 0 196.334 4.104 20 30 AIEDRN C=CCO[C@@H](C=C)CCCCCCC ZINC001205036810 761888815 /nfs/dbraw/zinc/88/88/15/761888815.db2.gz DWOOVFZJCAUDAF-ZDUSSCGKSA-N 0 0 196.334 4.104 20 30 AIEDRN C=CCO[C@H](CC)[C@H](CC)CCCC ZINC001205036885 761889626 /nfs/dbraw/zinc/88/96/26/761889626.db2.gz HICDSPRHHDLALG-CHWSQXEVSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCO[C@@H](CC)[C@H](CC)CCCC ZINC001205036886 761889224 /nfs/dbraw/zinc/88/92/24/761889224.db2.gz HICDSPRHHDLALG-OLZOCXBDSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCO[C@H](CC)[C@@H](CC)CCCC ZINC001205036888 761889495 /nfs/dbraw/zinc/88/94/95/761889495.db2.gz HICDSPRHHDLALG-QWHCGFSZSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCO[C@@H](CC)[C@@H](CC)CCCC ZINC001205036889 761888812 /nfs/dbraw/zinc/88/88/12/761888812.db2.gz HICDSPRHHDLALG-STQMWFEESA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCCCCCC[C@@H](C)OCC=C ZINC001205037316 761889547 /nfs/dbraw/zinc/88/95/47/761889547.db2.gz MNHGQZSDPJBWOY-CYBMUJFWSA-N 0 0 196.334 4.104 20 30 AIEDRN C=CCO[C@H](CCCC)[C@H](C)CCC ZINC001205037385 761889540 /nfs/dbraw/zinc/88/95/40/761889540.db2.gz MTQROTNYINMKGN-CHWSQXEVSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCO[C@@H](CCCC)[C@H](C)CCC ZINC001205037389 761888610 /nfs/dbraw/zinc/88/86/10/761888610.db2.gz MTQROTNYINMKGN-OLZOCXBDSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCO[C@H](CCCC)[C@@H](C)CCC ZINC001205037390 761888498 /nfs/dbraw/zinc/88/84/98/761888498.db2.gz MTQROTNYINMKGN-QWHCGFSZSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCO[C@@H](CCCC)[C@@H](C)CCC ZINC001205037391 761889682 /nfs/dbraw/zinc/88/96/82/761889682.db2.gz MTQROTNYINMKGN-STQMWFEESA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCO[C@H](C)C[C@H](CC)CCCC ZINC001205037698 761890072 /nfs/dbraw/zinc/89/00/72/761890072.db2.gz RVEQDSHVHNCQLV-CHWSQXEVSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCO[C@H](C)C[C@@H](CC)CCCC ZINC001205037701 761890293 /nfs/dbraw/zinc/89/02/93/761890293.db2.gz RVEQDSHVHNCQLV-OLZOCXBDSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCO[C@@H](C)C[C@H](CC)CCCC ZINC001205037702 761890718 /nfs/dbraw/zinc/89/07/18/761890718.db2.gz RVEQDSHVHNCQLV-QWHCGFSZSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCO[C@@H](C)C[C@@H](CC)CCCC ZINC001205037703 761891140 /nfs/dbraw/zinc/89/11/40/761891140.db2.gz RVEQDSHVHNCQLV-STQMWFEESA-N 0 0 198.350 4.184 20 30 AIEDRN C=C[C@@H](CCCCCC)OC/C=C/C ZINC001205051348 761891981 /nfs/dbraw/zinc/89/19/81/761891981.db2.gz MXKTUIHNFRUWIQ-LJLILKBBSA-N 0 0 196.334 4.104 20 30 AIEDRN C=C[C@H](CCCCCC)OC/C=C/C ZINC001205051349 761892751 /nfs/dbraw/zinc/89/27/51/761892751.db2.gz MXKTUIHNFRUWIQ-OQHXTRMZSA-N 0 0 196.334 4.104 20 30 AIEDRN C=C[C@H](CCCCC)OCCC(C)C ZINC001205078431 761893827 /nfs/dbraw/zinc/89/38/27/761893827.db2.gz CBLWSBWBXIHAOW-CYBMUJFWSA-N 0 0 198.350 4.184 20 30 AIEDRN C=C[C@@H](CCCCC)OCCC(C)C ZINC001205078433 761894670 /nfs/dbraw/zinc/89/46/70/761894670.db2.gz CBLWSBWBXIHAOW-ZDUSSCGKSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CC[C@H](CCCC)OCCC(C)C ZINC001205085078 761894415 /nfs/dbraw/zinc/89/44/15/761894415.db2.gz GWPPETQLCPEXIL-CYBMUJFWSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CC[C@@H](CCCC)OCCC(C)C ZINC001205085079 761893773 /nfs/dbraw/zinc/89/37/73/761893773.db2.gz GWPPETQLCPEXIL-ZDUSSCGKSA-N 0 0 198.350 4.184 20 30 AIEDRN CCCCCCC[C@@H](C)OCCC ZINC001205091452 761895384 /nfs/dbraw/zinc/89/53/84/761895384.db2.gz WFMDCLRFKHAXBD-GFCCVEGCSA-N 0 0 186.339 4.162 20 30 AIEDRN CCCCCCC[C@H](C)OCCC ZINC001205091453 761896136 /nfs/dbraw/zinc/89/61/36/761896136.db2.gz WFMDCLRFKHAXBD-LBPRGKRZSA-N 0 0 186.339 4.162 20 30 AIEDRN CCCCCCC[C@@H](CC)OC1CC1 ZINC001205468180 761927419 /nfs/dbraw/zinc/92/74/19/761927419.db2.gz HFXRCDKKHGKYQW-GFCCVEGCSA-N 0 0 198.350 4.305 20 30 AIEDRN CCCCCCC[C@H](CC)OC1CC1 ZINC001205468181 761926512 /nfs/dbraw/zinc/92/65/12/761926512.db2.gz HFXRCDKKHGKYQW-LBPRGKRZSA-N 0 0 198.350 4.305 20 30 AIEDRN C=CCCCCCC[C@@H](C)OC1CC1 ZINC001205468247 761936605 /nfs/dbraw/zinc/93/66/05/761936605.db2.gz IWRAVUUWCCMOEN-GFCCVEGCSA-N 0 0 196.334 4.081 20 30 AIEDRN CCCCCCCC[C@@H](C)OC1CC1 ZINC001205468260 761931715 /nfs/dbraw/zinc/93/17/15/761931715.db2.gz JEPVPVVSICTSGQ-GFCCVEGCSA-N 0 0 198.350 4.305 20 30 AIEDRN CCCCCCCC[C@H](C)OC1CC1 ZINC001205468261 761934518 /nfs/dbraw/zinc/93/45/18/761934518.db2.gz JEPVPVVSICTSGQ-LBPRGKRZSA-N 0 0 198.350 4.305 20 30 AIEDRN C=C[C@H](CCCCCCC)OC1CC1 ZINC001205468938 761931053 /nfs/dbraw/zinc/93/10/53/761931053.db2.gz SNFMXFHSJVUMNF-GFCCVEGCSA-N 0 0 196.334 4.081 20 30 AIEDRN C=C[C@@H](CCCCCCC)OC1CC1 ZINC001205468939 761931781 /nfs/dbraw/zinc/93/17/81/761931781.db2.gz SNFMXFHSJVUMNF-LBPRGKRZSA-N 0 0 196.334 4.081 20 30 AIEDRN CCCCCCC[C@@H](C)OCC1CC1 ZINC001205533750 761944066 /nfs/dbraw/zinc/94/40/66/761944066.db2.gz CEXWEEXRJNUNIW-GFCCVEGCSA-N 0 0 198.350 4.162 20 30 AIEDRN CCCCCCC[C@H](C)OCC1CC1 ZINC001205533751 761940900 /nfs/dbraw/zinc/94/09/00/761940900.db2.gz CEXWEEXRJNUNIW-LBPRGKRZSA-N 0 0 198.350 4.162 20 30 AIEDRN C=C[C@H](CCCCC)OC1CCCC1 ZINC001205560754 761963694 /nfs/dbraw/zinc/96/36/94/761963694.db2.gz NGLYDORCRGAVRJ-GFCCVEGCSA-N 0 0 196.334 4.081 20 30 AIEDRN C=C[C@@H](CCCCC)OC1CCCC1 ZINC001205560755 761959927 /nfs/dbraw/zinc/95/99/27/761959927.db2.gz NGLYDORCRGAVRJ-LBPRGKRZSA-N 0 0 196.334 4.081 20 30 AIEDRN C=CC[C@H](CCCC)OC1CCCC1 ZINC001205566790 761962569 /nfs/dbraw/zinc/96/25/69/761962569.db2.gz GXRQMUAHURMSSW-GFCCVEGCSA-N 0 0 196.334 4.081 20 30 AIEDRN C=CC[C@@H](CCCC)OC1CCCC1 ZINC001205566793 761960485 /nfs/dbraw/zinc/96/04/85/761960485.db2.gz GXRQMUAHURMSSW-LBPRGKRZSA-N 0 0 196.334 4.081 20 30 AIEDRN C=CC[C@H](CCC)OCCCC(C)C ZINC001205969589 762030184 /nfs/dbraw/zinc/03/01/84/762030184.db2.gz BFUZKSLKGSSHTK-CYBMUJFWSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CC[C@@H](CCC)OCCCC(C)C ZINC001205969606 762027935 /nfs/dbraw/zinc/02/79/35/762027935.db2.gz BFUZKSLKGSSHTK-ZDUSSCGKSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCC[C@@H](CC)OCCCC(C)C ZINC001205976554 762029161 /nfs/dbraw/zinc/02/91/61/762029161.db2.gz DGTBRWKRYOLOSI-CYBMUJFWSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCC[C@H](CC)OCCCC(C)C ZINC001205976555 762027215 /nfs/dbraw/zinc/02/72/15/762027215.db2.gz DGTBRWKRYOLOSI-ZDUSSCGKSA-N 0 0 198.350 4.184 20 30 AIEDRN C=C[C@H](CCCC)OCCCC(C)C ZINC001205976892 762028325 /nfs/dbraw/zinc/02/83/25/762028325.db2.gz LFJDAVIEJIWFPP-CYBMUJFWSA-N 0 0 198.350 4.184 20 30 AIEDRN C=C[C@@H](CCCC)OCCCC(C)C ZINC001205976893 762030463 /nfs/dbraw/zinc/03/04/63/762030463.db2.gz LFJDAVIEJIWFPP-ZDUSSCGKSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CC[C@@H](OCCCC(C)C)C(C)C ZINC001205977001 762026918 /nfs/dbraw/zinc/02/69/18/762026918.db2.gz OQMJNMAHYDCIGQ-CYBMUJFWSA-N 0 0 198.350 4.040 20 30 AIEDRN C=CC[C@H](OCCCC(C)C)C(C)C ZINC001205977002 762027992 /nfs/dbraw/zinc/02/79/92/762027992.db2.gz OQMJNMAHYDCIGQ-ZDUSSCGKSA-N 0 0 198.350 4.040 20 30 AIEDRN C=C(C)COC(CC(C)C)CC(C)C ZINC001206742272 762105387 /nfs/dbraw/zinc/10/53/87/762105387.db2.gz FIOCSHXLGOKQDU-UHFFFAOYSA-N 0 0 198.350 4.040 20 30 AIEDRN C=C(C)CO[C@H](C)CCCCCCC ZINC001206742274 762101203 /nfs/dbraw/zinc/10/12/03/762101203.db2.gz FLKOQUQMUYPWHN-CYBMUJFWSA-N 0 0 198.350 4.328 20 30 AIEDRN C=C(C)CO[C@@H](C)CCCCCCC ZINC001206742275 762106124 /nfs/dbraw/zinc/10/61/24/762106124.db2.gz FLKOQUQMUYPWHN-ZDUSSCGKSA-N 0 0 198.350 4.328 20 30 AIEDRN C=C(C)COC(CCCC)CCCC ZINC001206749987 762107805 /nfs/dbraw/zinc/10/78/05/762107805.db2.gz BZFCPFMHWYROFB-UHFFFAOYSA-N 0 0 198.350 4.328 20 30 AIEDRN C=C(C)CO[C@H](CC)CCCCCC ZINC001206750626 762110515 /nfs/dbraw/zinc/11/05/15/762110515.db2.gz LHFITAKOWOILCG-CYBMUJFWSA-N 0 0 198.350 4.328 20 30 AIEDRN C=C(C)CO[C@@H](CC)CCCCCC ZINC001206750630 762113619 /nfs/dbraw/zinc/11/36/19/762113619.db2.gz LHFITAKOWOILCG-ZDUSSCGKSA-N 0 0 198.350 4.328 20 30 AIEDRN C=C(C)CO[C@H](CCC)CCCCC ZINC001206750884 762114438 /nfs/dbraw/zinc/11/44/38/762114438.db2.gz PSXFLFHHYXBSRH-CYBMUJFWSA-N 0 0 198.350 4.328 20 30 AIEDRN C=C(C)CO[C@@H](CCC)CCCCC ZINC001206750885 762111378 /nfs/dbraw/zinc/11/13/78/762111378.db2.gz PSXFLFHHYXBSRH-ZDUSSCGKSA-N 0 0 198.350 4.328 20 30 AIEDRN C=C(C)CO[C@H](C(C)C)[C@H](C)CCC ZINC001206751075 762108797 /nfs/dbraw/zinc/10/87/97/762108797.db2.gz TTZJTMRLDZYBKD-CHWSQXEVSA-N 0 0 198.350 4.040 20 30 AIEDRN C=C(C)CO[C@@H](C(C)C)[C@H](C)CCC ZINC001206751076 762111083 /nfs/dbraw/zinc/11/10/83/762111083.db2.gz TTZJTMRLDZYBKD-OLZOCXBDSA-N 0 0 198.350 4.040 20 30 AIEDRN C=C(C)CO[C@H](C(C)C)[C@@H](C)CCC ZINC001206751078 762107849 /nfs/dbraw/zinc/10/78/49/762107849.db2.gz TTZJTMRLDZYBKD-QWHCGFSZSA-N 0 0 198.350 4.040 20 30 AIEDRN C=C(C)CO[C@@H](C(C)C)[C@@H](C)CCC ZINC001206751079 762113035 /nfs/dbraw/zinc/11/30/35/762113035.db2.gz TTZJTMRLDZYBKD-STQMWFEESA-N 0 0 198.350 4.040 20 30 AIEDRN C=C[C@H](CCCCCC)OCC(=C)C ZINC001206751108 762107858 /nfs/dbraw/zinc/10/78/58/762107858.db2.gz UIMKLIFNTKLPMR-CYBMUJFWSA-N 0 0 196.334 4.104 20 30 AIEDRN C=C[C@@H](CCCCCC)OCC(=C)C ZINC001206751109 762112981 /nfs/dbraw/zinc/11/29/81/762112981.db2.gz UIMKLIFNTKLPMR-ZDUSSCGKSA-N 0 0 196.334 4.104 20 30 AIEDRN C=C(C)CO[C@H](CCCCC)C(C)C ZINC001206751298 762107879 /nfs/dbraw/zinc/10/78/79/762107879.db2.gz XEEQDQOMFWSLOM-CYBMUJFWSA-N 0 0 198.350 4.184 20 30 AIEDRN C=C(C)CO[C@@H](CCCCC)C(C)C ZINC001206751299 762113170 /nfs/dbraw/zinc/11/31/70/762113170.db2.gz XEEQDQOMFWSLOM-ZDUSSCGKSA-N 0 0 198.350 4.184 20 30 AIEDRN C=C(C)c1ccccc1NC(C)=CC ZINC001210795082 762354588 /nfs/dbraw/zinc/35/45/88/762354588.db2.gz RGSCPVHLMRFBCL-VZUCSPMQSA-N 0 0 187.286 4.055 20 30 AIEDRN C=C(C)CCCOC(C(C)C)C(C)C ZINC001224278948 764184277 /nfs/dbraw/zinc/18/42/77/764184277.db2.gz IIJLVBDPZIAVII-UHFFFAOYSA-N 0 0 198.350 4.040 20 30 AIEDRN C=C(C)CCCO[C@H](C)CCC(C)C ZINC001224279078 764185184 /nfs/dbraw/zinc/18/51/84/764185184.db2.gz MVPBGXKQHIMZCA-CYBMUJFWSA-N 0 0 198.350 4.184 20 30 AIEDRN C=C(C)CCCO[C@@H](C)CCC(C)C ZINC001224279079 764184300 /nfs/dbraw/zinc/18/43/00/764184300.db2.gz MVPBGXKQHIMZCA-ZDUSSCGKSA-N 0 0 198.350 4.184 20 30 AIEDRN C=C(C)CCCO[C@H](CCC)C(C)C ZINC001224279080 764184495 /nfs/dbraw/zinc/18/44/95/764184495.db2.gz MXKZKRMLAGQDPK-CYBMUJFWSA-N 0 0 198.350 4.184 20 30 AIEDRN C=C(C)CCCO[C@@H](CCC)C(C)C ZINC001224279081 764185750 /nfs/dbraw/zinc/18/57/50/764185750.db2.gz MXKZKRMLAGQDPK-ZDUSSCGKSA-N 0 0 198.350 4.184 20 30 AIEDRN C=C(C)CCCO[C@H](CC)CCCC ZINC001224279088 764185428 /nfs/dbraw/zinc/18/54/28/764185428.db2.gz NFRXTDOVMCOIFS-CYBMUJFWSA-N 0 0 198.350 4.328 20 30 AIEDRN C=C(C)CCCO[C@@H](CC)CCCC ZINC001224279089 764183818 /nfs/dbraw/zinc/18/38/18/764183818.db2.gz NFRXTDOVMCOIFS-ZDUSSCGKSA-N 0 0 198.350 4.328 20 30 AIEDRN C=CC[C@H](CCC)OCCCC(=C)C ZINC001224279343 764185014 /nfs/dbraw/zinc/18/50/14/764185014.db2.gz VQMBFPAMFKPVDD-CYBMUJFWSA-N 0 0 196.334 4.104 20 30 AIEDRN C=CC[C@@H](CCC)OCCCC(=C)C ZINC001224279345 764183752 /nfs/dbraw/zinc/18/37/52/764183752.db2.gz VQMBFPAMFKPVDD-ZDUSSCGKSA-N 0 0 196.334 4.104 20 30 AIEDRN C=C(C)CCCOC(CCC)CCC ZINC001224279368 764185330 /nfs/dbraw/zinc/18/53/30/764185330.db2.gz WLHRKCLWEJNHLE-UHFFFAOYSA-N 0 0 198.350 4.328 20 30 AIEDRN C=C(C)CCCO[C@H](CC)C(C)(C)C ZINC001224279441 764185670 /nfs/dbraw/zinc/18/56/70/764185670.db2.gz XSHCKAUSHGAQMQ-GFCCVEGCSA-N 0 0 198.350 4.184 20 30 AIEDRN C=C(C)CCCO[C@@H](CC)C(C)(C)C ZINC001224279443 764184311 /nfs/dbraw/zinc/18/43/11/764184311.db2.gz XSHCKAUSHGAQMQ-LBPRGKRZSA-N 0 0 198.350 4.184 20 30 AIEDRN C=C(C)CCCO[C@H](C)CCCCC ZINC001224279446 764185883 /nfs/dbraw/zinc/18/58/83/764185883.db2.gz XUEUVRZWRLGZIB-CYBMUJFWSA-N 0 0 198.350 4.328 20 30 AIEDRN C=C(C)CCCO[C@@H](C)CCCCC ZINC001224279448 764185195 /nfs/dbraw/zinc/18/51/95/764185195.db2.gz XUEUVRZWRLGZIB-ZDUSSCGKSA-N 0 0 198.350 4.328 20 30 AIEDRN C=C(C)CCCOC1CCCCCC1 ZINC001224279512 764184140 /nfs/dbraw/zinc/18/41/40/764184140.db2.gz YMHIAMKYOUTILA-UHFFFAOYSA-N 0 0 196.334 4.082 20 30 AIEDRN C=C[C@H](CCCC)OCCCC(=C)C ZINC001224280597 764184566 /nfs/dbraw/zinc/18/45/66/764184566.db2.gz BHRCNYONVNQNLD-CYBMUJFWSA-N 0 0 196.334 4.104 20 30 AIEDRN C=C[C@@H](CCCC)OCCCC(=C)C ZINC001224280599 764184097 /nfs/dbraw/zinc/18/40/97/764184097.db2.gz BHRCNYONVNQNLD-ZDUSSCGKSA-N 0 0 196.334 4.104 20 30 AIEDRN C=CCC[C@@H](CC)OCCCC(=C)C ZINC001224280871 764183566 /nfs/dbraw/zinc/18/35/66/764183566.db2.gz FRISPHBOQJPMJR-CYBMUJFWSA-N 0 0 196.334 4.104 20 30 AIEDRN C=CCC[C@H](CC)OCCCC(=C)C ZINC001224280872 764184350 /nfs/dbraw/zinc/18/43/50/764184350.db2.gz FRISPHBOQJPMJR-ZDUSSCGKSA-N 0 0 196.334 4.104 20 30 AIEDRN C=CCCCCO[C@H](C=C)CCCC ZINC001224334887 764188715 /nfs/dbraw/zinc/18/87/15/764188715.db2.gz HEWBGHTXIAZJKA-CYBMUJFWSA-N 0 0 196.334 4.104 20 30 AIEDRN C=CCCCCO[C@@H](C=C)CCCC ZINC001224334888 764188183 /nfs/dbraw/zinc/18/81/83/764188183.db2.gz HEWBGHTXIAZJKA-ZDUSSCGKSA-N 0 0 196.334 4.104 20 30 AIEDRN C=CCCCCO[C@@H](C)CCCCC ZINC001224334930 764187561 /nfs/dbraw/zinc/18/75/61/764187561.db2.gz ILBOYWPBXMQMEU-ZDUSSCGKSA-N 0 0 198.350 4.328 20 30 AIEDRN C=CCCCCO[C@H](CC)C(C)(C)C ZINC001224334975 764187503 /nfs/dbraw/zinc/18/75/03/764187503.db2.gz JLQZUSUWLYFQDB-GFCCVEGCSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCCCCO[C@@H](CC)C(C)(C)C ZINC001224335019 764189401 /nfs/dbraw/zinc/18/94/01/764189401.db2.gz JLQZUSUWLYFQDB-LBPRGKRZSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCCCCO[C@H](CCC)C(C)C ZINC001224335059 764187395 /nfs/dbraw/zinc/18/73/95/764187395.db2.gz KIIOCNLREPJYID-CYBMUJFWSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCCCCO[C@@H](CCC)C(C)C ZINC001224335060 764188568 /nfs/dbraw/zinc/18/85/68/764188568.db2.gz KIIOCNLREPJYID-ZDUSSCGKSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCCCCO[C@H](C)CCC(C)C ZINC001224335203 764189010 /nfs/dbraw/zinc/18/90/10/764189010.db2.gz NMZGCFNXTJHPLE-CYBMUJFWSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCCCCO[C@@H](C)CCC(C)C ZINC001224335204 764189535 /nfs/dbraw/zinc/18/95/35/764189535.db2.gz NMZGCFNXTJHPLE-ZDUSSCGKSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCCCCOC(CCC)CCC ZINC001224335212 764187331 /nfs/dbraw/zinc/18/73/31/764187331.db2.gz NUTCFRBQZQDWFD-UHFFFAOYSA-N 0 0 198.350 4.328 20 30 AIEDRN C=CCCCCOC(C(C)C)C(C)C ZINC001224335225 764189327 /nfs/dbraw/zinc/18/93/27/764189327.db2.gz ODNQWGQWXZUAPJ-UHFFFAOYSA-N 0 0 198.350 4.040 20 30 AIEDRN C=CCCCCOC1CCCCCC1 ZINC001224335226 764188736 /nfs/dbraw/zinc/18/87/36/764188736.db2.gz OGJFKIXVNWXMBS-UHFFFAOYSA-N 0 0 196.334 4.082 20 30 AIEDRN C=CCCCCO[C@H](CC=C)CCC ZINC001224335558 764187766 /nfs/dbraw/zinc/18/77/66/764187766.db2.gz UHNXWZFOOVUFEK-CYBMUJFWSA-N 0 0 196.334 4.104 20 30 AIEDRN C=CCCCCO[C@@H](CC=C)CCC ZINC001224335559 764189367 /nfs/dbraw/zinc/18/93/67/764189367.db2.gz UHNXWZFOOVUFEK-ZDUSSCGKSA-N 0 0 196.334 4.104 20 30 AIEDRN C=CCCCCO[C@H](CC)CCC=C ZINC001224335664 764188222 /nfs/dbraw/zinc/18/82/22/764188222.db2.gz VQAZLRLZPIJMHA-CYBMUJFWSA-N 0 0 196.334 4.104 20 30 AIEDRN C=CCCCCO[C@@H](CC)CCC=C ZINC001224335665 764189240 /nfs/dbraw/zinc/18/92/40/764189240.db2.gz VQAZLRLZPIJMHA-ZDUSSCGKSA-N 0 0 196.334 4.104 20 30 AIEDRN C=CCCCCO[C@H](C)CCCCC ZINC001224336892 764192990 /nfs/dbraw/zinc/19/29/90/764192990.db2.gz ILBOYWPBXMQMEU-CYBMUJFWSA-N 0 0 198.350 4.328 20 30 AIEDRN C=CCCCCO[C@H](CC)CCCC ZINC001224337390 764190697 /nfs/dbraw/zinc/19/06/97/764190697.db2.gz MKBVWAIHMKCZNI-CYBMUJFWSA-N 0 0 198.350 4.328 20 30 AIEDRN C=CCCCCO[C@@H](CC)CCCC ZINC001224337393 764191656 /nfs/dbraw/zinc/19/16/56/764191656.db2.gz MKBVWAIHMKCZNI-ZDUSSCGKSA-N 0 0 198.350 4.328 20 30 AIEDRN C=CCCOC(CCCC)CCCC ZINC001224339048 764192288 /nfs/dbraw/zinc/19/22/88/764192288.db2.gz CJGOXVJTJKUVQR-UHFFFAOYSA-N 0 0 198.350 4.328 20 30 AIEDRN C=CCCO[C@H](C=C)CCCCCC ZINC001224339065 764190665 /nfs/dbraw/zinc/19/06/65/764190665.db2.gz CPCOQGPJCCCLIS-CYBMUJFWSA-N 0 0 196.334 4.104 20 30 AIEDRN C=CCCO[C@@H](C=C)CCCCCC ZINC001224339066 764191700 /nfs/dbraw/zinc/19/17/00/764191700.db2.gz CPCOQGPJCCCLIS-ZDUSSCGKSA-N 0 0 196.334 4.104 20 30 AIEDRN C=CCCO[C@H](C(C)C)[C@H](C)CCC ZINC001224339198 764191264 /nfs/dbraw/zinc/19/12/64/764191264.db2.gz GRCAIDNQQITUMV-CHWSQXEVSA-N 0 0 198.350 4.040 20 30 AIEDRN C=CCCO[C@@H](C(C)C)[C@H](C)CCC ZINC001224339199 764192337 /nfs/dbraw/zinc/19/23/37/764192337.db2.gz GRCAIDNQQITUMV-OLZOCXBDSA-N 0 0 198.350 4.040 20 30 AIEDRN C=CCCO[C@H](C(C)C)[C@@H](C)CCC ZINC001224339200 764192935 /nfs/dbraw/zinc/19/29/35/764192935.db2.gz GRCAIDNQQITUMV-QWHCGFSZSA-N 0 0 198.350 4.040 20 30 AIEDRN C=CCCO[C@@H](C(C)C)[C@@H](C)CCC ZINC001224339201 764192141 /nfs/dbraw/zinc/19/21/41/764192141.db2.gz GRCAIDNQQITUMV-STQMWFEESA-N 0 0 198.350 4.040 20 30 AIEDRN C=CCCO[C@H](CC)CCCCCC ZINC001224339676 764192181 /nfs/dbraw/zinc/19/21/81/764192181.db2.gz SLVBQSIZAFKEAA-CYBMUJFWSA-N 0 0 198.350 4.328 20 30 AIEDRN C=CCCO[C@@H](CC)CCCCCC ZINC001224339677 764191135 /nfs/dbraw/zinc/19/11/35/764191135.db2.gz SLVBQSIZAFKEAA-ZDUSSCGKSA-N 0 0 198.350 4.328 20 30 AIEDRN C=CCCO[C@H](CCCCC)C(C)C ZINC001224339862 764191580 /nfs/dbraw/zinc/19/15/80/764191580.db2.gz XLAWEEVLIYXEPW-CYBMUJFWSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCCO[C@@H](CCCCC)C(C)C ZINC001224339863 764193277 /nfs/dbraw/zinc/19/32/77/764193277.db2.gz XLAWEEVLIYXEPW-ZDUSSCGKSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCCO[C@H](CCC)CCCCC ZINC001224339874 764192418 /nfs/dbraw/zinc/19/24/18/764192418.db2.gz XZWCIYVQIBFYQD-CYBMUJFWSA-N 0 0 198.350 4.328 20 30 AIEDRN C=CCCO[C@@H](CCC)CCCCC ZINC001224339875 764191097 /nfs/dbraw/zinc/19/10/97/764191097.db2.gz XZWCIYVQIBFYQD-ZDUSSCGKSA-N 0 0 198.350 4.328 20 30 AIEDRN C=CCCO[C@H](C)CCCCCCC ZINC001224341490 764194282 /nfs/dbraw/zinc/19/42/82/764194282.db2.gz KMMSRJAFRLKQQK-CYBMUJFWSA-N 0 0 198.350 4.328 20 30 AIEDRN C=CCCO[C@@H](C)CCCCCCC ZINC001224341493 764194829 /nfs/dbraw/zinc/19/48/29/764194829.db2.gz KMMSRJAFRLKQQK-ZDUSSCGKSA-N 0 0 198.350 4.328 20 30 AIEDRN C=CCCOC(CC(C)C)CC(C)C ZINC001224343119 764195859 /nfs/dbraw/zinc/19/58/59/764195859.db2.gz XWMITMIBHAIVQN-UHFFFAOYSA-N 0 0 198.350 4.040 20 30 AIEDRN CCCCCCCCCOC1CCC1 ZINC001224386340 764205430 /nfs/dbraw/zinc/20/54/30/764205430.db2.gz KDNQYHXGSLQPDZ-UHFFFAOYSA-N 0 0 198.350 4.306 20 30 AIEDRN C=CCCCCCO[C@H](C)[C@H](C)CC ZINC001224427426 764205527 /nfs/dbraw/zinc/20/55/27/764205527.db2.gz AZTHBWNAKWAVJT-CHWSQXEVSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCCCCCO[C@@H](C)[C@H](C)CC ZINC001224427429 764203781 /nfs/dbraw/zinc/20/37/81/764203781.db2.gz AZTHBWNAKWAVJT-OLZOCXBDSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCCCCCO[C@H](C)[C@@H](C)CC ZINC001224427432 764205889 /nfs/dbraw/zinc/20/58/89/764205889.db2.gz AZTHBWNAKWAVJT-QWHCGFSZSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCCCCCO[C@@H](C)[C@@H](C)CC ZINC001224427435 764205143 /nfs/dbraw/zinc/20/51/43/764205143.db2.gz AZTHBWNAKWAVJT-STQMWFEESA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCCCCCO[C@H](CC)CCC ZINC001224428182 764204512 /nfs/dbraw/zinc/20/45/12/764204512.db2.gz QVLRLEKOMPNAHC-CYBMUJFWSA-N 0 0 198.350 4.328 20 30 AIEDRN C=CCCCCCO[C@@H](CC)CCC ZINC001224428183 764205615 /nfs/dbraw/zinc/20/56/15/764205615.db2.gz QVLRLEKOMPNAHC-ZDUSSCGKSA-N 0 0 198.350 4.328 20 30 AIEDRN C=CCCCCCO[C@H](C)CCCC ZINC001224428236 764205031 /nfs/dbraw/zinc/20/50/31/764205031.db2.gz SHTUPGPTCDUQNY-CYBMUJFWSA-N 0 0 198.350 4.328 20 30 AIEDRN C=CCCCCCO[C@@H](C)CCCC ZINC001224428237 764203491 /nfs/dbraw/zinc/20/34/91/764203491.db2.gz SHTUPGPTCDUQNY-ZDUSSCGKSA-N 0 0 198.350 4.328 20 30 AIEDRN C=CCCCCCO[C@H](C)CC(C)C ZINC001224428265 764204506 /nfs/dbraw/zinc/20/45/06/764204506.db2.gz SXWGJXYPXZEMFO-CYBMUJFWSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCCCCCO[C@@H](C)CC(C)C ZINC001224428266 764204041 /nfs/dbraw/zinc/20/40/41/764204041.db2.gz SXWGJXYPXZEMFO-ZDUSSCGKSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCCCCCOC1CCCCC1 ZINC001224428464 764204462 /nfs/dbraw/zinc/20/44/62/764204462.db2.gz YONMSMOKSFLMJY-UHFFFAOYSA-N 0 0 196.334 4.082 20 30 AIEDRN C=CCCCCCO[C@H](C=C)CCC ZINC001224428505 764205086 /nfs/dbraw/zinc/20/50/86/764205086.db2.gz ZYJQRIYMWCVKMQ-CYBMUJFWSA-N 0 0 196.334 4.104 20 30 AIEDRN C=CCCCCCO[C@@H](C=C)CCC ZINC001224428506 764205854 /nfs/dbraw/zinc/20/58/54/764205854.db2.gz ZYJQRIYMWCVKMQ-ZDUSSCGKSA-N 0 0 196.334 4.104 20 30 AIEDRN C=CCCCCCO[C@H](CC)C(C)C ZINC001224428554 764204691 /nfs/dbraw/zinc/20/46/91/764204691.db2.gz QNRPEOKHGJVSTP-CYBMUJFWSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCCCCCO[C@@H](CC)C(C)C ZINC001224428555 764203960 /nfs/dbraw/zinc/20/39/60/764203960.db2.gz QNRPEOKHGJVSTP-ZDUSSCGKSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCCCCCCCO[C@H](C)CC ZINC001224507391 764217878 /nfs/dbraw/zinc/21/78/78/764217878.db2.gz FBXZFKWNAMBJFU-CYBMUJFWSA-N 0 0 198.350 4.328 20 30 AIEDRN C=CCCCCCCCO[C@@H](C)CC ZINC001224507392 764216982 /nfs/dbraw/zinc/21/69/82/764216982.db2.gz FBXZFKWNAMBJFU-ZDUSSCGKSA-N 0 0 198.350 4.328 20 30 AIEDRN C=CCCCCCCCOC1CCC1 ZINC001224507490 764217667 /nfs/dbraw/zinc/21/76/67/764217667.db2.gz IAPIXRQAUGXCNN-UHFFFAOYSA-N 0 0 196.334 4.082 20 30 AIEDRN C=CCCCCCCCO[C@H](C)C=C ZINC001224507797 764217193 /nfs/dbraw/zinc/21/71/93/764217193.db2.gz MXDFBAPNGOMYCL-CYBMUJFWSA-N 0 0 196.334 4.104 20 30 AIEDRN C=CCCCCCCCO[C@@H](C)C=C ZINC001224507803 764216265 /nfs/dbraw/zinc/21/62/65/764216265.db2.gz MXDFBAPNGOMYCL-ZDUSSCGKSA-N 0 0 196.334 4.104 20 30 AIEDRN C=CCCCCCCCCOC1CC1 ZINC001224508529 764218192 /nfs/dbraw/zinc/21/81/92/764218192.db2.gz YRIXMZGKLTXUBM-UHFFFAOYSA-N 0 0 196.334 4.082 20 30 AIEDRN C=CCCCO[C@H](CC=C)CCCC ZINC001224508956 764216994 /nfs/dbraw/zinc/21/69/94/764216994.db2.gz CXEZSQPCQNDFCZ-CYBMUJFWSA-N 0 0 196.334 4.104 20 30 AIEDRN C=CCCCO[C@@H](CC=C)CCCC ZINC001224508957 764216032 /nfs/dbraw/zinc/21/60/32/764216032.db2.gz CXEZSQPCQNDFCZ-ZDUSSCGKSA-N 0 0 196.334 4.104 20 30 AIEDRN C=CCCCO[C@H](CC)/C(C)=C/CC ZINC001224509315 764215878 /nfs/dbraw/zinc/21/58/78/764215878.db2.gz JKDYHFCZMHXFMZ-RSKUSDAESA-N 0 0 196.334 4.104 20 30 AIEDRN C=CCCCO[C@@H](CC)/C(C)=C/CC ZINC001224509387 764217157 /nfs/dbraw/zinc/21/71/57/764217157.db2.gz JKDYHFCZMHXFMZ-XSNHNAGMSA-N 0 0 196.334 4.104 20 30 AIEDRN C=CCCCO[C@H](C)CCC=C(C)C ZINC001224509858 764217482 /nfs/dbraw/zinc/21/74/82/764217482.db2.gz RSLXOPIZYJCJMQ-CYBMUJFWSA-N 0 0 196.334 4.104 20 30 AIEDRN C=CCCCO[C@H](CC)[C@H](C)CCC ZINC001224510396 764218109 /nfs/dbraw/zinc/21/81/09/764218109.db2.gz ZQVPXSZGOAGHCT-CHWSQXEVSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCCCO[C@@H](CC)[C@H](C)CCC ZINC001224510397 764216419 /nfs/dbraw/zinc/21/64/19/764216419.db2.gz ZQVPXSZGOAGHCT-OLZOCXBDSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCCCO[C@H](CC)[C@@H](C)CCC ZINC001224510398 764216966 /nfs/dbraw/zinc/21/69/66/764216966.db2.gz ZQVPXSZGOAGHCT-QWHCGFSZSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCCCO[C@@H](CC)[C@@H](C)CCC ZINC001224510399 764215988 /nfs/dbraw/zinc/21/59/88/764215988.db2.gz ZQVPXSZGOAGHCT-STQMWFEESA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCCCO[C@H](CC(C)C)C(C)C ZINC001224510413 764216867 /nfs/dbraw/zinc/21/68/67/764216867.db2.gz AAQWTIUCIWGCAZ-CYBMUJFWSA-N 0 0 198.350 4.040 20 30 AIEDRN C=CCCCO[C@@H](CC(C)C)C(C)C ZINC001224510416 764216229 /nfs/dbraw/zinc/21/62/29/764216229.db2.gz AAQWTIUCIWGCAZ-ZDUSSCGKSA-N 0 0 198.350 4.040 20 30 AIEDRN C=CCCCO[C@H](CC)C(CC)CC ZINC001224510478 764216335 /nfs/dbraw/zinc/21/63/35/764216335.db2.gz AJBNAYJDMCNMRQ-CYBMUJFWSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCCCO[C@@H](CC)C(CC)CC ZINC001224510482 764216673 /nfs/dbraw/zinc/21/66/73/764216673.db2.gz AJBNAYJDMCNMRQ-ZDUSSCGKSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCCCO[C@H](CCC)CCCC ZINC001224510825 764220957 /nfs/dbraw/zinc/22/09/57/764220957.db2.gz FAPOJFBCQOJSQD-CYBMUJFWSA-N 0 0 198.350 4.328 20 30 AIEDRN C=CCCCO[C@@H](CCC)CCCC ZINC001224510827 764219032 /nfs/dbraw/zinc/21/90/32/764219032.db2.gz FAPOJFBCQOJSQD-ZDUSSCGKSA-N 0 0 198.350 4.328 20 30 AIEDRN C=CCCCO[C@H](CC)C[C@H](C)CC ZINC001224511028 764220410 /nfs/dbraw/zinc/22/04/10/764220410.db2.gz IDTXIEGDBFKREE-CHWSQXEVSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCCCO[C@@H](CC)C[C@H](C)CC ZINC001224511029 764219284 /nfs/dbraw/zinc/21/92/84/764219284.db2.gz IDTXIEGDBFKREE-OLZOCXBDSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCCCO[C@H](CC)C[C@@H](C)CC ZINC001224511030 764219571 /nfs/dbraw/zinc/21/95/71/764219571.db2.gz IDTXIEGDBFKREE-QWHCGFSZSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCCCO[C@@H](CC)C[C@@H](C)CC ZINC001224511031 764220267 /nfs/dbraw/zinc/22/02/67/764220267.db2.gz IDTXIEGDBFKREE-STQMWFEESA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCCCO[C@H](CCC)C(C)(C)C ZINC001224511138 764221359 /nfs/dbraw/zinc/22/13/59/764221359.db2.gz KJWIOLATIXWMPI-GFCCVEGCSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCCCO[C@@H](CCC)C(C)(C)C ZINC001224511139 764219708 /nfs/dbraw/zinc/21/97/08/764219708.db2.gz KJWIOLATIXWMPI-LBPRGKRZSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCCCO[C@H](C)CC[C@H](C)CC ZINC001224511200 764220772 /nfs/dbraw/zinc/22/07/72/764220772.db2.gz LZLGIEJHIYOCML-CHWSQXEVSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCCCO[C@@H](C)CC[C@H](C)CC ZINC001224511201 764218839 /nfs/dbraw/zinc/21/88/39/764218839.db2.gz LZLGIEJHIYOCML-OLZOCXBDSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCCCO[C@H](C)CC[C@@H](C)CC ZINC001224511202 764219753 /nfs/dbraw/zinc/21/97/53/764219753.db2.gz LZLGIEJHIYOCML-QWHCGFSZSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCCCO[C@@H](C)CC[C@@H](C)CC ZINC001224511203 764221417 /nfs/dbraw/zinc/22/14/17/764221417.db2.gz LZLGIEJHIYOCML-STQMWFEESA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCCCO[C@H](C=C)CCCCC ZINC001224511346 764220914 /nfs/dbraw/zinc/22/09/14/764220914.db2.gz MWOLGEMDZXYURV-CYBMUJFWSA-N 0 0 196.334 4.104 20 30 AIEDRN C=CCCCO[C@@H](C=C)CCCCC ZINC001224511347 764220177 /nfs/dbraw/zinc/22/01/77/764220177.db2.gz MWOLGEMDZXYURV-ZDUSSCGKSA-N 0 0 196.334 4.104 20 30 AIEDRN C=CCCCO[C@H](CCC)[C@H](C)CC ZINC001224511556 764218963 /nfs/dbraw/zinc/21/89/63/764218963.db2.gz QFKYIPDORPASRH-CHWSQXEVSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCCCO[C@@H](CCC)[C@H](C)CC ZINC001224511558 764220030 /nfs/dbraw/zinc/22/00/30/764220030.db2.gz QFKYIPDORPASRH-OLZOCXBDSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCCCO[C@H](CCC)[C@@H](C)CC ZINC001224511560 764220080 /nfs/dbraw/zinc/22/00/80/764220080.db2.gz QFKYIPDORPASRH-QWHCGFSZSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCCCO[C@@H](CCC)[C@@H](C)CC ZINC001224511561 764221064 /nfs/dbraw/zinc/22/10/64/764221064.db2.gz QFKYIPDORPASRH-STQMWFEESA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCCCO[C@H](CC)CCCCC ZINC001224511653 764220278 /nfs/dbraw/zinc/22/02/78/764220278.db2.gz QLVLPMXLXSXKDC-CYBMUJFWSA-N 0 0 198.350 4.328 20 30 AIEDRN C=CCCCO[C@@H](CC)CCCCC ZINC001224511654 764220590 /nfs/dbraw/zinc/22/05/90/764220590.db2.gz QLVLPMXLXSXKDC-ZDUSSCGKSA-N 0 0 198.350 4.328 20 30 AIEDRN C=CCCCO[C@@H](C)CCC=C(C)C ZINC001224511766 764220371 /nfs/dbraw/zinc/22/03/71/764220371.db2.gz RSLXOPIZYJCJMQ-ZDUSSCGKSA-N 0 0 196.334 4.104 20 30 AIEDRN C=CCCCO[C@@H](C)CCCCCC ZINC001224511807 764220319 /nfs/dbraw/zinc/22/03/19/764220319.db2.gz TYDLFUCEKQHEDB-ZDUSSCGKSA-N 0 0 198.350 4.328 20 30 AIEDRN C=CCCCO[C@@H](C)/C=C/CCCC ZINC001224511901 764219082 /nfs/dbraw/zinc/21/90/82/764219082.db2.gz WLIZHDOCYQVBGA-STRFDMGBSA-N 0 0 196.334 4.104 20 30 AIEDRN C=CCCCO[C@H](C)/C=C/CCCC ZINC001224511902 764220025 /nfs/dbraw/zinc/22/00/25/764220025.db2.gz WLIZHDOCYQVBGA-YGNAEDSMSA-N 0 0 196.334 4.104 20 30 AIEDRN C=CCCCO[C@H](C)CCCC(C)C ZINC001224511937 764219957 /nfs/dbraw/zinc/21/99/57/764219957.db2.gz XFRWAJWXUDADBI-CYBMUJFWSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCCCO[C@@H](C)CCCC(C)C ZINC001224511938 764220393 /nfs/dbraw/zinc/22/03/93/764220393.db2.gz XFRWAJWXUDADBI-ZDUSSCGKSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCCCOC1CCCCCCC1 ZINC001224511996 764219972 /nfs/dbraw/zinc/21/99/72/764219972.db2.gz ZCDNSBQCVAUWJR-UHFFFAOYSA-N 0 0 196.334 4.082 20 30 AIEDRN C=CC(C=C)OCCCCCCCC ZINC001224570089 764223846 /nfs/dbraw/zinc/22/38/46/764223846.db2.gz HNOLRMXPQCIEAE-UHFFFAOYSA-N 0 0 196.334 4.104 20 30 AIEDRN C=CC[C@@H](C)OCCCCCCCC ZINC001224570133 764222863 /nfs/dbraw/zinc/22/28/63/764222863.db2.gz JBKUBVQWCRWRSW-CYBMUJFWSA-N 0 0 198.350 4.328 20 30 AIEDRN CCCCCCCCOC1CC=CC1 ZINC001224570345 764223775 /nfs/dbraw/zinc/22/37/75/764223775.db2.gz KLEWUMCWEHAQGO-UHFFFAOYSA-N 0 0 196.334 4.082 20 30 AIEDRN CCCCCCCCO[C@H](C)C1CC1 ZINC001224570349 764222143 /nfs/dbraw/zinc/22/21/43/764222143.db2.gz KSUVKSHTCZIBHS-GFCCVEGCSA-N 0 0 198.350 4.162 20 30 AIEDRN CCCCCCCCO[C@@H](C)C1CC1 ZINC001224570350 764222427 /nfs/dbraw/zinc/22/24/27/764222427.db2.gz KSUVKSHTCZIBHS-LBPRGKRZSA-N 0 0 198.350 4.162 20 30 AIEDRN CCCCCCCO[C@H](C)C1CCC1 ZINC001224617248 764225424 /nfs/dbraw/zinc/22/54/24/764225424.db2.gz HNPRSEYNMARAQI-GFCCVEGCSA-N 0 0 198.350 4.162 20 30 AIEDRN CCCCCCCO[C@@H](C)C1CCC1 ZINC001224617249 764226609 /nfs/dbraw/zinc/22/66/09/764226609.db2.gz HNPRSEYNMARAQI-LBPRGKRZSA-N 0 0 198.350 4.162 20 30 AIEDRN CCCCCCCO[C@@H]1CCC[C@@H]1C ZINC001224617299 764225509 /nfs/dbraw/zinc/22/55/09/764225509.db2.gz IVYHMALQKGGNLT-QWHCGFSZSA-N 0 0 198.350 4.162 20 30 AIEDRN CCCCCCCO[C@H]1CCC[C@@H]1C ZINC001224617300 764225376 /nfs/dbraw/zinc/22/53/76/764225376.db2.gz IVYHMALQKGGNLT-STQMWFEESA-N 0 0 198.350 4.162 20 30 AIEDRN CCCCCCCO[C@@H]1CC[C@@H](C)C1 ZINC001224617356 764225287 /nfs/dbraw/zinc/22/52/87/764225287.db2.gz KHXNHPBBOSFUFW-CHWSQXEVSA-N 0 0 198.350 4.162 20 30 AIEDRN CCCCCCCO[C@H]1CC[C@@H](C)C1 ZINC001224617357 764226864 /nfs/dbraw/zinc/22/68/64/764226864.db2.gz KHXNHPBBOSFUFW-OLZOCXBDSA-N 0 0 198.350 4.162 20 30 AIEDRN CCCCCCCO[C@@H]1CC[C@H](C)C1 ZINC001224617358 764226178 /nfs/dbraw/zinc/22/61/78/764226178.db2.gz KHXNHPBBOSFUFW-QWHCGFSZSA-N 0 0 198.350 4.162 20 30 AIEDRN CCCCCCCO[C@H]1CC[C@H](C)C1 ZINC001224617359 764226991 /nfs/dbraw/zinc/22/69/91/764226991.db2.gz KHXNHPBBOSFUFW-STQMWFEESA-N 0 0 198.350 4.162 20 30 AIEDRN CCCCCCCOC(CC)CC ZINC001224617798 764225879 /nfs/dbraw/zinc/22/58/79/764225879.db2.gz WYELCNVMPZRICB-UHFFFAOYSA-N 0 0 186.339 4.162 20 30 AIEDRN CCCCCCCO[C@H](C)C(C)C ZINC001224617940 764226928 /nfs/dbraw/zinc/22/69/28/764226928.db2.gz ZNCBWHDITJTNIA-GFCCVEGCSA-N 0 0 186.339 4.018 20 30 AIEDRN CCCCCCCO[C@@H](C)C(C)C ZINC001224617941 764226096 /nfs/dbraw/zinc/22/60/96/764226096.db2.gz ZNCBWHDITJTNIA-LBPRGKRZSA-N 0 0 186.339 4.018 20 30 AIEDRN C=CC[C@@H](C=C)OCCCCCCC ZINC001224620507 764225392 /nfs/dbraw/zinc/22/53/92/764225392.db2.gz YWKGRTBZCHWHNA-CYBMUJFWSA-N 0 0 196.334 4.104 20 30 AIEDRN C=CC[C@H](C=C)OCCCCCCC ZINC001224620508 764227177 /nfs/dbraw/zinc/22/71/77/764227177.db2.gz YWKGRTBZCHWHNA-ZDUSSCGKSA-N 0 0 196.334 4.104 20 30 AIEDRN C=C(C)C[C@@H](OCCCCC)C(=C)C ZINC001224660674 764232407 /nfs/dbraw/zinc/23/24/07/764232407.db2.gz LXRPESIIRLOZJN-CYBMUJFWSA-N 0 0 196.334 4.104 20 30 AIEDRN C=C(C)C[C@H](OCCCCC)C(=C)C ZINC001224660676 764230924 /nfs/dbraw/zinc/23/09/24/764230924.db2.gz LXRPESIIRLOZJN-ZDUSSCGKSA-N 0 0 196.334 4.104 20 30 AIEDRN C=CC[C@H](CCCC)OCCCCC ZINC001224660722 764232612 /nfs/dbraw/zinc/23/26/12/764232612.db2.gz NAFYSPXMRCDHSO-CYBMUJFWSA-N 0 0 198.350 4.328 20 30 AIEDRN C=CC[C@@H](CCCC)OCCCCC ZINC001224660724 764231402 /nfs/dbraw/zinc/23/14/02/764231402.db2.gz NAFYSPXMRCDHSO-ZDUSSCGKSA-N 0 0 198.350 4.328 20 30 AIEDRN C=C[C@H](CCCCC)OC[C@H](C)CC ZINC001224661918 764232730 /nfs/dbraw/zinc/23/27/30/764232730.db2.gz CWGFHDOZMWRWFC-CHWSQXEVSA-N 0 0 198.350 4.184 20 30 AIEDRN C=C[C@@H](CCCCC)OC[C@H](C)CC ZINC001224661919 764231094 /nfs/dbraw/zinc/23/10/94/764231094.db2.gz CWGFHDOZMWRWFC-OLZOCXBDSA-N 0 0 198.350 4.184 20 30 AIEDRN C=C[C@H](CCCCC)OC[C@@H](C)CC ZINC001224661920 764232642 /nfs/dbraw/zinc/23/26/42/764232642.db2.gz CWGFHDOZMWRWFC-QWHCGFSZSA-N 0 0 198.350 4.184 20 30 AIEDRN C=C[C@@H](CCCCC)OC[C@@H](C)CC ZINC001224661921 764231070 /nfs/dbraw/zinc/23/10/70/764231070.db2.gz CWGFHDOZMWRWFC-STQMWFEESA-N 0 0 198.350 4.184 20 30 AIEDRN C=CC[C@H](CCCC)OC[C@H](C)CC ZINC001224667232 764237084 /nfs/dbraw/zinc/23/70/84/764237084.db2.gz FVZYVSSJZPOMOH-CHWSQXEVSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CC[C@@H](CCCC)OC[C@H](C)CC ZINC001224667233 764238093 /nfs/dbraw/zinc/23/80/93/764238093.db2.gz FVZYVSSJZPOMOH-OLZOCXBDSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CC[C@H](CCCC)OC[C@@H](C)CC ZINC001224667234 764238339 /nfs/dbraw/zinc/23/83/39/764238339.db2.gz FVZYVSSJZPOMOH-QWHCGFSZSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CC[C@@H](CCCC)OC[C@@H](C)CC ZINC001224667235 764237050 /nfs/dbraw/zinc/23/70/50/764237050.db2.gz FVZYVSSJZPOMOH-STQMWFEESA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCC[C@@H](CC)OCCCCCC ZINC001224669191 764240275 /nfs/dbraw/zinc/24/02/75/764240275.db2.gz ANEMINHQILWUCJ-CYBMUJFWSA-N 0 0 198.350 4.328 20 30 AIEDRN C=CCC[C@H](CC)OCCCCCC ZINC001224669192 764239599 /nfs/dbraw/zinc/23/95/99/764239599.db2.gz ANEMINHQILWUCJ-ZDUSSCGKSA-N 0 0 198.350 4.328 20 30 AIEDRN C=CC[C@H](CCC)OCCCCCC ZINC001224669863 764241750 /nfs/dbraw/zinc/24/17/50/764241750.db2.gz KPVXJJLMAGKQSF-CYBMUJFWSA-N 0 0 198.350 4.328 20 30 AIEDRN C=CC[C@@H](CCC)OCCCCCC ZINC001224669864 764241591 /nfs/dbraw/zinc/24/15/91/764241591.db2.gz KPVXJJLMAGKQSF-ZDUSSCGKSA-N 0 0 198.350 4.328 20 30 AIEDRN C=CC[C@@H](OCCCCCC)C(C)C ZINC001224670876 764241500 /nfs/dbraw/zinc/24/15/00/764241500.db2.gz ZOBXBYKLWDETAM-CYBMUJFWSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CC[C@H](OCCCCCC)C(C)C ZINC001224670878 764241072 /nfs/dbraw/zinc/24/10/72/764241072.db2.gz ZOBXBYKLWDETAM-ZDUSSCGKSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CC[C@@H](C)OC[C@H](CC)CCCC ZINC001224708769 764250162 /nfs/dbraw/zinc/25/01/62/764250162.db2.gz FKNHKIGRFKEXRA-CHWSQXEVSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CC[C@@H](C)OC[C@@H](CC)CCCC ZINC001224708771 764247948 /nfs/dbraw/zinc/24/79/48/764247948.db2.gz FKNHKIGRFKEXRA-OLZOCXBDSA-N 0 0 198.350 4.184 20 30 AIEDRN C=C[C@H](CC)OC[C@H](CC)CCCC ZINC001224709071 764250189 /nfs/dbraw/zinc/25/01/89/764250189.db2.gz LALLEORZYFDWGU-CHWSQXEVSA-N 0 0 198.350 4.184 20 30 AIEDRN C=C[C@@H](CC)OC[C@H](CC)CCCC ZINC001224709073 764248869 /nfs/dbraw/zinc/24/88/69/764248869.db2.gz LALLEORZYFDWGU-OLZOCXBDSA-N 0 0 198.350 4.184 20 30 AIEDRN C=C[C@H](CC)OC[C@@H](CC)CCCC ZINC001224709075 764251092 /nfs/dbraw/zinc/25/10/92/764251092.db2.gz LALLEORZYFDWGU-QWHCGFSZSA-N 0 0 198.350 4.184 20 30 AIEDRN C=C[C@@H](CC)OC[C@@H](CC)CCCC ZINC001224709077 764248566 /nfs/dbraw/zinc/24/85/66/764248566.db2.gz LALLEORZYFDWGU-STQMWFEESA-N 0 0 198.350 4.184 20 30 AIEDRN C=CC[C@H](CCC)OCCC=C(C)C ZINC001224715705 764253093 /nfs/dbraw/zinc/25/30/93/764253093.db2.gz XFPHFIXQJSJABS-CYBMUJFWSA-N 0 0 196.334 4.104 20 30 AIEDRN C=CC[C@@H](CCC)OCCC=C(C)C ZINC001224715706 764253957 /nfs/dbraw/zinc/25/39/57/764253957.db2.gz XFPHFIXQJSJABS-ZDUSSCGKSA-N 0 0 196.334 4.104 20 30 AIEDRN C=C[C@H](CCCC)OCCC=C(C)C ZINC001224716363 764253902 /nfs/dbraw/zinc/25/39/02/764253902.db2.gz JMWBIPKFXSOORX-CYBMUJFWSA-N 0 0 196.334 4.104 20 30 AIEDRN C=C[C@@H](CCCC)OCCC=C(C)C ZINC001224716366 764252874 /nfs/dbraw/zinc/25/28/74/764252874.db2.gz JMWBIPKFXSOORX-ZDUSSCGKSA-N 0 0 196.334 4.104 20 30 AIEDRN C=CCC[C@@H](CC)OCCC=C(C)C ZINC001224716965 764252393 /nfs/dbraw/zinc/25/23/93/764252393.db2.gz RAGNIEZKUXKXQN-CYBMUJFWSA-N 0 0 196.334 4.104 20 30 AIEDRN C=CCC[C@H](CC)OCCC=C(C)C ZINC001224716969 764253721 /nfs/dbraw/zinc/25/37/21/764253721.db2.gz RAGNIEZKUXKXQN-ZDUSSCGKSA-N 0 0 196.334 4.104 20 30 AIEDRN C=C[C@H](CCCC)OCCC(C)(C)C ZINC001224723868 764253752 /nfs/dbraw/zinc/25/37/52/764253752.db2.gz APSIUXGDUNDPKN-GFCCVEGCSA-N 0 0 198.350 4.184 20 30 AIEDRN C=C[C@@H](CCCC)OCCC(C)(C)C ZINC001224723869 764252325 /nfs/dbraw/zinc/25/23/25/764252325.db2.gz APSIUXGDUNDPKN-LBPRGKRZSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CC[C@H](CCC)OCCC(C)(C)C ZINC001224723873 764252693 /nfs/dbraw/zinc/25/26/93/764252693.db2.gz AUFXHLXSJCMGAX-GFCCVEGCSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CC[C@@H](CCC)OCCC(C)(C)C ZINC001224723874 764252895 /nfs/dbraw/zinc/25/28/95/764252895.db2.gz AUFXHLXSJCMGAX-LBPRGKRZSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCC[C@@H](CC)OCCC(C)(C)C ZINC001224724565 764252815 /nfs/dbraw/zinc/25/28/15/764252815.db2.gz IFRONDOGVAXEEO-GFCCVEGCSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CCC[C@H](CC)OCCC(C)(C)C ZINC001224724566 764252546 /nfs/dbraw/zinc/25/25/46/764252546.db2.gz IFRONDOGVAXEEO-LBPRGKRZSA-N 0 0 198.350 4.184 20 30 AIEDRN C=CC[C@@H](OCCC(C)(C)C)C(C)C ZINC001224726006 764257810 /nfs/dbraw/zinc/25/78/10/764257810.db2.gz YOOKNIOIKKINDC-GFCCVEGCSA-N 0 0 198.350 4.040 20 30 AIEDRN C=CC[C@H](OCCC(C)(C)C)C(C)C ZINC001224726007 764255796 /nfs/dbraw/zinc/25/57/96/764255796.db2.gz YOOKNIOIKKINDC-LBPRGKRZSA-N 0 0 198.350 4.040 20 30 AIEDRN C=CCCc1ccccc1-c1ccoc1 ZINC001239689279 764822230 /nfs/dbraw/zinc/82/22/30/764822230.db2.gz MPERPNCEWLRDLH-UHFFFAOYSA-N 0 0 198.265 4.065 20 30 AIEDRN C=CCCc1cccc(-c2ccoc2)c1 ZINC001239689840 764821144 /nfs/dbraw/zinc/82/11/44/764821144.db2.gz VRKQHLPJWKGSEX-UHFFFAOYSA-N 0 0 198.265 4.065 20 30 AIEDRN CC[C@H](C#N)c1ccc(C=C(C)C)cc1 ZINC001240635867 764873884 /nfs/dbraw/zinc/87/38/84/764873884.db2.gz MYAISIOKOZIEBL-CYBMUJFWSA-N 0 0 199.297 4.127 20 30 AIEDRN CC[C@@H](C#N)c1ccc(C=C(C)C)cc1 ZINC001240635868 764872152 /nfs/dbraw/zinc/87/21/52/764872152.db2.gz MYAISIOKOZIEBL-ZDUSSCGKSA-N 0 0 199.297 4.127 20 30 AIEDRN C=C(C)c1ccc(F)c2ccccc12 ZINC001240834553 764919132 /nfs/dbraw/zinc/91/91/32/764919132.db2.gz FMEJXHHSBXKRBG-UHFFFAOYSA-N 0 0 186.229 4.012 20 30 AIEDRN C=C(C)c1c(C)ccc2ccccc21 ZINC001240835584 764929163 /nfs/dbraw/zinc/92/91/63/764929163.db2.gz WBDJETOKTQFZBY-UHFFFAOYSA-N 0 0 182.266 4.181 20 30 AIEDRN C=C(C)c1cc(F)c2ccccc2c1 ZINC001240836460 764928905 /nfs/dbraw/zinc/92/89/05/764928905.db2.gz KZUMMGSOTSZJJP-UHFFFAOYSA-N 0 0 186.229 4.012 20 30 AIEDRN C=C(C)c1ccc2ccccc2c1F ZINC001240836624 764938615 /nfs/dbraw/zinc/93/86/15/764938615.db2.gz UBNAPWOVTHPFJW-UHFFFAOYSA-N 0 0 186.229 4.012 20 30 AIEDRN C=C(C)c1ccc(F)c2ccsc21 ZINC001240836628 764935967 /nfs/dbraw/zinc/93/59/67/764935967.db2.gz UJIQVDYVGRHEKB-UHFFFAOYSA-N 0 0 192.258 4.074 20 30 AIEDRN C=C(C)c1ccc2oc(CC)cc2c1 ZINC001240836687 764933469 /nfs/dbraw/zinc/93/34/69/764933469.db2.gz XILBGTOUBTYQHO-UHFFFAOYSA-N 0 0 186.254 4.028 20 30 AIEDRN C=C(C)c1cc(C)cc2ccccc21 ZINC001240836770 764934185 /nfs/dbraw/zinc/93/41/85/764934185.db2.gz BQIJMQSATYFITA-UHFFFAOYSA-N 0 0 182.266 4.181 20 30 AIEDRN C=C(C)c1cccc2c(F)cccc12 ZINC001240837050 764934282 /nfs/dbraw/zinc/93/42/82/764934282.db2.gz MJZDJBMLJWLJHZ-UHFFFAOYSA-N 0 0 186.229 4.012 20 30 AIEDRN C=C(C)c1ccc(C2=CCCCC2)nc1 ZINC001241715778 764988930 /nfs/dbraw/zinc/98/89/30/764988930.db2.gz KNHODGLEHAPOSE-UHFFFAOYSA-N 0 0 199.297 4.072 20 30 AIEDRN C=C(C)c1cncc(C2=CCCCC2)c1 ZINC001241717664 764990175 /nfs/dbraw/zinc/99/01/75/764990175.db2.gz TTWSOLQMGJHULR-UHFFFAOYSA-N 0 0 199.297 4.072 20 30 AIEDRN CCC/C=C/c1ccc([C@H](C)C#N)cc1 ZINC001242254222 765024488 /nfs/dbraw/zinc/02/44/88/765024488.db2.gz OYEZGJLGXZESBH-BTDICHCPSA-N 0 0 199.297 4.127 20 30 AIEDRN CCC/C=C/c1ccc([C@@H](C)C#N)cc1 ZINC001242254223 765023498 /nfs/dbraw/zinc/02/34/98/765023498.db2.gz OYEZGJLGXZESBH-FYJFLYSWSA-N 0 0 199.297 4.127 20 30 AIEDRN C/C=C(\C)c1ccc([C@@H](C#N)CC)cc1 ZINC001242757818 765046816 /nfs/dbraw/zinc/04/68/16/765046816.db2.gz MIDSBMGXICTDMM-KBVBDRTLSA-N 0 0 199.297 4.127 20 30 AIEDRN C/C=C(\C)c1ccc([C@H](C#N)CC)cc1 ZINC001242757831 765046368 /nfs/dbraw/zinc/04/63/68/765046368.db2.gz MIDSBMGXICTDMM-QNCMIEPLSA-N 0 0 199.297 4.127 20 30 AIEDRN CC(C)(C)C/C=C/c1ccc(C#N)cc1 ZINC001249927193 765378121 /nfs/dbraw/zinc/37/81/21/765378121.db2.gz LPHJIPQOYXUXEL-SNAWJCMRSA-N 0 0 199.297 4.008 20 30 AIEDRN CCC(CC)CC1=CC[C@@H](C#N)CC1 ZINC001249930589 765382396 /nfs/dbraw/zinc/38/23/96/765382396.db2.gz OZSMXEFXGHRHMA-CYBMUJFWSA-N 0 0 191.318 4.063 20 30 AIEDRN CCC(CC)CC1=CC[C@H](C#N)CC1 ZINC001249930590 765382649 /nfs/dbraw/zinc/38/26/49/765382649.db2.gz OZSMXEFXGHRHMA-ZDUSSCGKSA-N 0 0 191.318 4.063 20 30 AIEDRN CC(C)CC/C=C/c1ccc(C#N)cc1 ZINC001249964257 765420624 /nfs/dbraw/zinc/42/06/24/765420624.db2.gz CVFQHWTUNXZOLK-GQCTYLIASA-N 0 0 199.297 4.008 20 30 AIEDRN CC1(C)C=C(CCC#N)CC(C)(C)C1 ZINC001250056337 766898742 /nfs/dbraw/zinc/89/87/42/766898742.db2.gz SAEAVAVUHDALSZ-UHFFFAOYSA-N 0 0 191.318 4.063 20 30 AIEDRN CC1(C)CC=C(CCCCC#N)CC1 ZINC001250066159 766899961 /nfs/dbraw/zinc/89/99/61/766899961.db2.gz VJMLEOMFUCPGIW-UHFFFAOYSA-N 0 0 191.318 4.207 20 30 AIEDRN