smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(NN=Cc2ccccc2F)nc(-c2ccccc2O)n1 ZINC000005002845 563623400 /nfs/dbraw/zinc/62/34/00/563623400.db2.gz AFBBLCSSZIVHAJ-JAIQZWGSSA-N 0 2 322.343 3.743 40 30 DHEBLN Cc1ccc(/N=C\c2cc([N+](=O)[O-])c3ccccc3c2O)nc1 ZINC000100701496 563632138 /nfs/dbraw/zinc/63/21/38/563632138.db2.gz YRAKIUMASYAQPF-GRSHGNNSSA-N 0 2 307.309 3.908 40 30 DHEBLN CC[C@@]1(c2ccc(/N=C/c3ccccc3)cc2)CCC(=O)NC1=O ZINC000005477008 181248223 /nfs/dbraw/zinc/24/82/23/181248223.db2.gz ZMLXNLHINGLNRE-LQOIVRHRSA-N 0 2 320.392 3.522 40 30 DHEBLN C/C(=N\c1ccc(C)cc1)c1c(O)c2ccccc2n(C)c1=O ZINC000100362610 257232268 /nfs/dbraw/zinc/23/22/68/257232268.db2.gz AGVLZVDNPOTZRQ-DEDYPNTBSA-N 0 2 306.365 3.693 40 30 DHEBLN N#C[C@@H]1C=CN(Cc2ccccc2)C=C1C(=O)c1ccccc1 ZINC000001615642 563288114 /nfs/dbraw/zinc/28/81/14/563288114.db2.gz ICHOBQHWUSTUMZ-SFHVURJKSA-N 0 2 300.361 3.922 40 30 DHEBLN COc1cc(/C=N/c2cc(C)ccc2C)cc([N+](=O)[O-])c1O ZINC000008367896 563922242 /nfs/dbraw/zinc/92/22/42/563922242.db2.gz RFQVYLVCTOHRNA-RQZCQDPDSA-N 0 2 300.314 3.676 40 30 DHEBLN CCOc1cc(/C=N/c2ccc(C)cc2)cc([N+](=O)[O-])c1O ZINC000006958995 563921818 /nfs/dbraw/zinc/92/18/18/563921818.db2.gz YYXBFBKQUWUBSX-LICLKQGHSA-N 0 2 300.314 3.758 40 30 DHEBLN Cc1cc(/N=C/c2cccc([N+](=O)[O-])c2O)c2ccccc2n1 ZINC000001704694 180889873 /nfs/dbraw/zinc/88/98/73/180889873.db2.gz MHMQTYLQSCTQCK-VCHYOVAHSA-N 0 2 307.309 3.908 40 30 DHEBLN CCOc1ccc(/N=C/c2cc(C)cc([N+](=O)[O-])c2O)cc1 ZINC000004359246 181101859 /nfs/dbraw/zinc/10/18/59/181101859.db2.gz DTYQDBDAMICSEB-LICLKQGHSA-N 0 2 300.314 3.758 40 30 DHEBLN CCc1cc2c(ncnc2N=NCc2cccc(OC)c2)s1 ZINC000005477214 181248211 /nfs/dbraw/zinc/24/82/11/181248211.db2.gz VTVAILNFWURRRN-DJKKODMXSA-N 0 2 312.398 3.708 40 30 DHEBLN CCn1c(=O)c(/C=N/c2cccc(C)c2)c(O)c2ccccc21 ZINC000104835016 563565048 /nfs/dbraw/zinc/56/50/48/563565048.db2.gz JBTAGECLDMMKJB-UDWIEESQSA-N 0 2 306.365 3.786 40 30 DHEBLN COc1cc(/C=N/c2cccc(C)c2C)cc([N+](=O)[O-])c1O ZINC000409202975 257221141 /nfs/dbraw/zinc/22/11/41/257221141.db2.gz VLVOMNOMCCAEDG-RQZCQDPDSA-N 0 2 300.314 3.676 40 30 DHEBLN O=[N+]([O-])c1cccc(/C=N/c2cccc(Br)c2)c1O ZINC000409099714 257223160 /nfs/dbraw/zinc/22/31/60/257223160.db2.gz SILURBUGCFWQRJ-OVCLIPMQSA-N 0 2 321.130 3.814 40 30 DHEBLN O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000003191495 563323169 /nfs/dbraw/zinc/32/31/69/563323169.db2.gz HIPRZBWYVHDPLF-VIZOYTHASA-N 0 2 321.676 3.613 40 30 DHEBLN Cc1cc(/N=C\c2cccc([N+](=O)[O-])c2O)c2ccccc2n1 ZINC000017427084 563414903 /nfs/dbraw/zinc/41/49/03/563414903.db2.gz MHMQTYLQSCTQCK-ZDLGFXPLSA-N 0 2 307.309 3.908 40 30 DHEBLN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H](C=O)c1ccccc1 ZINC000003846424 181049294 /nfs/dbraw/zinc/04/92/94/181049294.db2.gz HFGGIUMQUFGSLF-LAVFITLUSA-N 0 2 302.414 3.973 40 30 DHEBLN O=[N+]([O-])c1ccc(O)c(/C=N/C23CC4CC(CC(C4)C2)C3)c1 ZINC000038179914 563422655 /nfs/dbraw/zinc/42/26/55/563422655.db2.gz GCQXRPKBUBPNSX-VCHYOVAHSA-N 0 2 300.358 3.688 40 30 DHEBLN O=C([O-])c1ccc(C/[NH+]=C/c2cccn2-c2ccccc2)cc1 ZINC000059249917 563771070 /nfs/dbraw/zinc/77/10/70/563771070.db2.gz QWHXEFVRWKFTOY-XSFVSMFZSA-N 0 2 304.349 3.795 40 30 DHEBLN COc1ccc(Cl)cc1/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000005286873 1021274450 /nfs/dbraw/zinc/27/44/50/1021274450.db2.gz SUUSUWOEIVBJIJ-LZYBPNLTSA-N 0 2 306.705 3.713 40 30 DHEBLN O=C1/C(=N\O)c2ccccc2N1Cc1cccc2ccccc21 ZINC000004619712 181130282 /nfs/dbraw/zinc/13/02/82/181130282.db2.gz RPLTWBVMGUMCLS-ZZEZOPTASA-N 0 2 302.333 3.565 40 30 DHEBLN Cc1cc(/N=C\c2ccc(O)c([N+](=O)[O-])c2)cc([N+](=O)[O-])c1C ZINC000408904870 257225903 /nfs/dbraw/zinc/22/59/03/257225903.db2.gz PTOPCXFTMZUSQV-PXNMLYILSA-N 0 2 315.285 3.576 40 30 DHEBLN Cc1ccc(C(=O)C=C(O)C(=O)C=C(O)c2ccc(C)cc2)cc1 ZINC000095398225 525942315 /nfs/dbraw/zinc/94/23/15/525942315.db2.gz KWTVOUUUBMHLSR-WHYMJUELSA-N 0 2 322.360 3.940 40 30 DHEBLN COc1cc(/C=N/c2ccc(C)cc2C)cc([N+](=O)[O-])c1O ZINC000008368528 563922254 /nfs/dbraw/zinc/92/22/54/563922254.db2.gz DUGZEQYVBQVRQE-RQZCQDPDSA-N 0 2 300.314 3.676 40 30 DHEBLN CCc1nnc(C2=C(O)C(=Cc3cccs3)SC2=N)s1 ZINC000108043774 563924650 /nfs/dbraw/zinc/92/46/50/563924650.db2.gz DEAOHKFLJKAKGM-WPMAYMIXSA-N 0 2 321.452 3.580 40 30 DHEBLN Cc1cc(C=NNc2cccc3cccnc32)c(O)c([N+](=O)[O-])c1 ZINC000035183058 526095790 /nfs/dbraw/zinc/09/57/90/526095790.db2.gz GVEOORHGLUNKBN-VXLYETTFSA-N 0 2 322.324 3.603 40 30 DHEBLN CCNc1nc(Nc2ccccc2C#N)cc(C(F)(F)F)n1 ZINC000318250825 528443852 /nfs/dbraw/zinc/44/38/52/528443852.db2.gz DBMYMSIWCNBZKM-UHFFFAOYSA-N 0 2 307.279 3.542 40 30 DHEBLN O=[N+]([O-])c1cc2c(cc1Br)-c1ccccc1/C2=N/O ZINC000104081856 563562246 /nfs/dbraw/zinc/56/22/46/563562246.db2.gz OKBCIYJFGIGJNS-SQFISAMPSA-N 0 2 319.114 3.564 40 30 DHEBLN N=C1SC(=Cc2ccc(F)cc2)C(O)=C1c1nccs1 ZINC000136161951 563616217 /nfs/dbraw/zinc/61/62/17/563616217.db2.gz ZAECRXLVIVVZFR-AAZDMDIYSA-N 0 2 304.371 3.700 40 30 DHEBLN O=[N+]([O-])c1cccc(/C=N/C23CC4CC(CC(C4)C2)C3)c1O ZINC000038179913 563423046 /nfs/dbraw/zinc/42/30/46/563423046.db2.gz FGFCUVMUOJERAZ-VCHYOVAHSA-N 0 2 300.358 3.688 40 30 DHEBLN N=C1SC(=Cc2ccc(F)cc2)C(O)=C1c1nccs1 ZINC000107831476 563718619 /nfs/dbraw/zinc/71/86/19/563718619.db2.gz ZAECRXLVIVVZFR-YHXJBOQGSA-N 0 2 304.371 3.700 40 30 DHEBLN CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1 ZINC000004901526 181170065 /nfs/dbraw/zinc/17/00/65/181170065.db2.gz IMGVSPFZKZPOID-OAHLLOKOSA-N 0 2 313.378 3.546 40 30 DHEBLN CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)[C@@H](C=O)c1ccccc1 ZINC000003846423 181049336 /nfs/dbraw/zinc/04/93/36/181049336.db2.gz HFGGIUMQUFGSLF-XOYOTBSWSA-N 0 2 302.414 3.973 40 30 DHEBLN O=[N+]([O-])c1cc2c(cc1Br)-c1ccccc1/C2=N\O ZINC000017420416 563461557 /nfs/dbraw/zinc/46/15/57/563461557.db2.gz OKBCIYJFGIGJNS-FYWRMAATSA-N 0 2 319.114 3.564 40 30 DHEBLN O=C(/C=C\c1ccc2c(c1)OCO2)c1cc(Cl)ccc1O ZINC000005707492 181275738 /nfs/dbraw/zinc/27/57/38/181275738.db2.gz YPGXNIHFYIFXQL-RJRFIUFISA-N 0 2 302.713 3.670 40 30 DHEBLN O=[N+]([O-])c1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1O ZINC000408961202 257225096 /nfs/dbraw/zinc/22/50/96/257225096.db2.gz BHSWWDAWNDPDQO-VIZOYTHASA-N 0 2 321.676 3.613 40 30 DHEBLN N#Cc1c2ccc(O)cc2oc(=O)c1-c1nc2ccccc2s1 ZINC000001610752 180878770 /nfs/dbraw/zinc/87/87/70/180878770.db2.gz NUMVQHABHCWBHI-UHFFFAOYSA-N 0 2 320.329 3.647 40 30 DHEBLN Cc1c(/C=[NH+]\Cc2ccc(C(=O)[O-])cc2)c2ccccc2n1C ZINC000408847788 257226209 /nfs/dbraw/zinc/22/62/09/257226209.db2.gz RRHREFSQGHPYHX-NDENLUEZSA-N 0 2 306.365 3.804 40 30 DHEBLN Cc1cc(/C=N/C23CC4CC(CC(C4)C2)C3)c(O)c([N+](=O)[O-])c1 ZINC000038179919 563422755 /nfs/dbraw/zinc/42/27/55/563422755.db2.gz SJGIXBKOYMEHPO-VXLYETTFSA-N 0 2 314.385 3.997 40 30 DHEBLN CCn1c(=O)c(/C=N/c2ccccc2C)c(O)c2ccccc21 ZINC000104835010 563564856 /nfs/dbraw/zinc/56/48/56/563564856.db2.gz PSTVIJXMTOYGIQ-UDWIEESQSA-N 0 2 306.365 3.786 40 30 DHEBLN CCN(CC)c1ccc(/N=C/c2cccc([N+](=O)[O-])c2O)cc1 ZINC000169566247 563610041 /nfs/dbraw/zinc/61/00/41/563610041.db2.gz FLENWQOKBFXKRL-LDADJPATSA-N 0 2 313.357 3.897 40 30 DHEBLN O=[N+]([O-])c1cc(/C=N/c2cccc(Br)c2)ccc1O ZINC000408963099 257225279 /nfs/dbraw/zinc/22/52/79/257225279.db2.gz MNEGQERSVWGMLP-OVCLIPMQSA-N 0 2 321.130 3.814 40 30 DHEBLN CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1 ZINC000004901540 181170471 /nfs/dbraw/zinc/17/04/71/181170471.db2.gz IMGVSPFZKZPOID-HNNXBMFYSA-N 0 2 313.378 3.546 40 30 DHEBLN COc1ccc(Cl)cc1/N=C/c1cccc([N+](=O)[O-])c1O ZINC000409101203 257222978 /nfs/dbraw/zinc/22/29/78/257222978.db2.gz AKNGAKWINTVRJU-LZYBPNLTSA-N 0 2 306.705 3.713 40 30 DHEBLN CCOc1cc(/C=N/c2cccc(C)c2)cc([N+](=O)[O-])c1O ZINC000006959012 563921812 /nfs/dbraw/zinc/92/18/12/563921812.db2.gz ZGESYIJZBSZYHJ-LICLKQGHSA-N 0 2 300.314 3.758 40 30 DHEBLN CCn1c(=O)c(/C=N/c2ccc(C)cc2)c(O)c2ccccc21 ZINC000104835018 256580437 /nfs/dbraw/zinc/58/04/37/256580437.db2.gz CGCWVXZJSVLABJ-UDWIEESQSA-N 0 2 306.365 3.786 40 30 DHEBLN CCc1nnc(C2=C(O)C(=Cc3cccs3)SC2=N)s1 ZINC000137153081 563616297 /nfs/dbraw/zinc/61/62/97/563616297.db2.gz DEAOHKFLJKAKGM-QKJFNYBUSA-N 0 2 321.452 3.580 40 30 DHEBLN O=C(/C=C/c1ccc2c(c1)OCO2)c1cc(Cl)ccc1O ZINC000016939611 182064971 /nfs/dbraw/zinc/06/49/71/182064971.db2.gz YPGXNIHFYIFXQL-DAFODLJHSA-N 0 2 302.713 3.670 40 30 DHEBLN O=[N+]([O-])c1cccc(/C=N\c2ccccc2Br)c1O ZINC000409104328 257223024 /nfs/dbraw/zinc/22/30/24/257223024.db2.gz CVYUNBSSYBINAC-NVNXTCNLSA-N 0 2 321.130 3.814 40 30 DHEBLN O=[N+]([O-])c1cc(/C=N/c2ccc(Br)cc2)ccc1O ZINC000059426294 563771683 /nfs/dbraw/zinc/77/16/83/563771683.db2.gz HUUSKYFFDWDITA-OVCLIPMQSA-N 0 2 321.130 3.814 40 30 DHEBLN CCOc1cc(/C=N/c2ccccc2C)cc([N+](=O)[O-])c1O ZINC000006959024 563921835 /nfs/dbraw/zinc/92/18/35/563921835.db2.gz RGGRUNGBMCYMCV-LICLKQGHSA-N 0 2 300.314 3.758 40 30 DHEBLN O=[N+]([O-])c1ccc(O)c(/C=N/c2cccc(Br)c2)c1 ZINC000004990344 181185963 /nfs/dbraw/zinc/18/59/63/181185963.db2.gz ZRIBNYCLHWZAQY-OVCLIPMQSA-N 0 2 321.130 3.814 40 30 DHEBLN O=[N+]([O-])c1ccc(O)c(/C=N/c2ccccc2N2CCCC2)c1 ZINC000005927259 181297042 /nfs/dbraw/zinc/29/70/42/181297042.db2.gz FLLXKWWBBXKJNX-LDADJPATSA-N 0 2 311.341 3.651 40 30 DHEBLN CCc1ccc(/N=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1 ZINC000008084433 563922068 /nfs/dbraw/zinc/92/20/68/563922068.db2.gz WXBXEKHFKQCKPZ-LICLKQGHSA-N 0 2 300.314 3.622 40 30 DHEBLN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)[C@@H](C=O)c1ccccc1 ZINC000013406092 563381511 /nfs/dbraw/zinc/38/15/11/563381511.db2.gz HFGGIUMQUFGSLF-BGTYHANMSA-N 0 2 302.414 3.973 40 30 DHEBLN Cc1cccc(/N=C\c2cc([N+](=O)[O-])c3ccccc3c2O)n1 ZINC000100145859 563628674 /nfs/dbraw/zinc/62/86/74/563628674.db2.gz UQOBWQJIAKUMEA-ZDLGFXPLSA-N 0 2 307.309 3.908 40 30 DHEBLN CCC/N=C(\C)c1c(O)c2ccccc2n(-c2ccccc2)c1=O ZINC000100643561 563552395 /nfs/dbraw/zinc/55/23/95/563552395.db2.gz AFVNQXQKMMBORZ-KGENOOAVSA-N 0 2 320.392 3.915 40 30 DHEBLN CCCc1[nH]n(-c2nc3ccccc3s2)c(=O)c1CCC#N ZINC000014607832 563672126 /nfs/dbraw/zinc/67/21/26/563672126.db2.gz JDCQIEDZDJAZRL-UHFFFAOYSA-N 0 2 312.398 3.596 40 30 DHEBLN COc1ccc(C(C)N=Nc2nc3ccccc3o2)c(OC)c1 ZINC000005517043 181252325 /nfs/dbraw/zinc/25/23/25/181252325.db2.gz DVSUADBLQKLLCK-YBFXNURJSA-N 0 2 311.341 3.681 40 30 DHEBLN COc1ccc(Cl)cc1/N=C/c1ccc(O)c([N+](=O)[O-])c1 ZINC000408904209 257225840 /nfs/dbraw/zinc/22/58/40/257225840.db2.gz GLVPGXDCWISINI-LZYBPNLTSA-N 0 2 306.705 3.713 40 30 DHEBLN O=[N+]([O-])c1ccc(O)c(/N=C/c2cccn2-c2ccccc2)c1 ZINC000408851343 257226189 /nfs/dbraw/zinc/22/61/89/257226189.db2.gz XZVMLMDMVNCAIT-LDADJPATSA-N 0 2 307.309 3.842 40 30 DHEBLN O=[N+]([O-])c1cc(/C=N\c2ccccc2Br)ccc1O ZINC000408905332 257226325 /nfs/dbraw/zinc/22/63/25/257226325.db2.gz XJLWRGQULYVUSL-NVNXTCNLSA-N 0 2 321.130 3.814 40 30 DHEBLN COc1ccc(C(C)N=Nc2nc3ccccc3o2)c(OC)c1 ZINC000019626323 333331734 /nfs/dbraw/zinc/33/17/34/333331734.db2.gz DVSUADBLQKLLCK-ODLFYWEKSA-N 0 2 311.341 3.681 40 30 DHEBLN Cc1cc(/C=N/c2ccc3ncccc3c2)c(O)c([N+](=O)[O-])c1 ZINC000004357473 181102126 /nfs/dbraw/zinc/10/21/26/181102126.db2.gz IRYHHZUVLBMUCR-VXLYETTFSA-N 0 2 307.309 3.908 40 30 DHEBLN CCN(CC)c1ccc(/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000408904362 257226410 /nfs/dbraw/zinc/22/64/10/257226410.db2.gz IHKOAZAGTQAGFO-LDADJPATSA-N 0 2 313.357 3.897 40 30 DHEBLN O=c1c2ccccc2nc2c(/C=N\c3ccc(Cl)cc3)c[nH]n21 ZINC000100946437 563554712 /nfs/dbraw/zinc/55/47/12/563554712.db2.gz LOKRXJPAOFJVPK-OCKHKDLRSA-N 0 2 322.755 3.580 40 30 DHEBLN O=[N+]([O-])c1ccc(O)c(/C=N\c2ccccc2Br)c1 ZINC000409095215 257223440 /nfs/dbraw/zinc/22/34/40/257223440.db2.gz GXALTRGJGFWOIF-NVNXTCNLSA-N 0 2 321.130 3.814 40 30 DHEBLN Cc1c(/C=N\c2cc([N+](=O)[O-])ccc2O)c2ccccc2n1C ZINC000408851669 257226224 /nfs/dbraw/zinc/22/62/24/257226224.db2.gz MAMWKDHLURBKRZ-ZDLGFXPLSA-N 0 2 309.325 3.851 40 30 DHEBLN COc1cc(/C=N/c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1O ZINC000409202808 257220811 /nfs/dbraw/zinc/22/08/11/257220811.db2.gz SMDDZTDXABJVMW-RQZCQDPDSA-N 0 2 300.314 3.676 40 30 DHEBLN O=[N+]([O-])c1cccc(/C=N/c2ccc(Br)cc2)c1O ZINC000038183657 563423112 /nfs/dbraw/zinc/42/31/12/563423112.db2.gz CYBUDEZSIVGBFF-OVCLIPMQSA-N 0 2 321.130 3.814 40 30 DHEBLN CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)[C@@H](C=O)c1ccccc1 ZINC000003846425 181049282 /nfs/dbraw/zinc/04/92/82/181049282.db2.gz HFGGIUMQUFGSLF-LEUOFYLZSA-N 0 2 302.414 3.973 40 30 DHEBLN O=[N+]([O-])c1cccc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c1O ZINC000409098156 257223155 /nfs/dbraw/zinc/22/31/55/257223155.db2.gz NOTOEQCYCMXLHX-VIZOYTHASA-N 0 2 321.676 3.613 40 30 DHEBLN Cc1oc(/N=C/c2ccc(O)c(Br)c2)c(C#N)c1C ZINC000408723192 257228006 /nfs/dbraw/zinc/22/80/06/257228006.db2.gz OPQJWOVBQRKURZ-REZTVBANSA-N 0 2 319.158 3.987 40 30 DHEBLN C=C1C(=O)c2ccccc2C(O)=C1C(=O)C=Cc1ccccc1 ZINC000104232133 257232445 /nfs/dbraw/zinc/23/24/45/257232445.db2.gz YVYQSKQQTPWMKY-QXMHVHEDSA-N 0 2 302.329 3.665 40 30 DHEBLN CC/N=C(\C)c1c(O)c2ccccc2n(-c2ccccc2)c1=O ZINC000100370478 257272766 /nfs/dbraw/zinc/27/27/66/257272766.db2.gz VEZLHGDDJHRFER-DEDYPNTBSA-N 0 2 306.365 3.525 40 30 DHEBLN C/C(=N\c1cccc(C)c1)c1c(O)c2ccccc2n(C)c1=O ZINC000104826151 563565000 /nfs/dbraw/zinc/56/50/00/563565000.db2.gz OXOMDWNJKJMVKK-DEDYPNTBSA-N 0 2 306.365 3.693 40 30 DHEBLN N#C[C@H]1C=CN(Cc2ccccc2)C=C1C(=O)c1ccccc1 ZINC000004934643 181175129 /nfs/dbraw/zinc/17/51/29/181175129.db2.gz ICHOBQHWUSTUMZ-GOSISDBHSA-N 0 2 300.361 3.922 40 30 DHEBLN Cc1cc(O)c(C(=O)/C=C/c2ccc3ccccc3c2)c(=O)o1 ZINC000006188577 181318163 /nfs/dbraw/zinc/31/81/63/181318163.db2.gz MPYUIUONOASLSJ-VQHVLOKHSA-N 0 2 306.317 3.703 40 30 DHEBLN CC(=NNc1nnc(SCCC(C)C)[nH]1)c1ccccc1 ZINC000009695146 563353824 /nfs/dbraw/zinc/35/38/24/563353824.db2.gz RENHFDYZRCIOLF-SFQUDFHCSA-N 0 2 303.435 3.779 40 30 DHEBLN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H](C=O)c1ccccc1 ZINC000003846422 181049156 /nfs/dbraw/zinc/04/91/56/181049156.db2.gz HFGGIUMQUFGSLF-NRSFXHEJSA-N 0 2 302.414 3.973 40 30 DHEBLN COc1ccc(/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1Cl ZINC000408962835 257225418 /nfs/dbraw/zinc/22/54/18/257225418.db2.gz KAIBXGUHNPPRCV-LZYBPNLTSA-N 0 2 306.705 3.713 40 30 DHEBLN CC[C@]1(c2ccc(/N=C/c3ccccc3)cc2)CCC(=O)NC1=O ZINC000005476725 181248112 /nfs/dbraw/zinc/24/81/12/181248112.db2.gz ZMLXNLHINGLNRE-DOAWATSRSA-N 0 2 320.392 3.522 40 30 DHEBLN C=C1C(=O)c2ccccc2C(O)=C1C(=O)C=Cc1ccccc1 ZINC000001584322 563286335 /nfs/dbraw/zinc/28/63/35/563286335.db2.gz YVYQSKQQTPWMKY-VAWYXSNFSA-N 0 2 302.329 3.665 40 30 DHEBLN C/C(=N\c1ccccc1C)c1c(O)c2ccccc2n(C)c1=O ZINC000104826145 563565024 /nfs/dbraw/zinc/56/50/24/563565024.db2.gz VJRDZSDDSOAEGO-DEDYPNTBSA-N 0 2 306.365 3.693 40 30 DHEBLN