smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCc1c(-c2cccc(F)c2)[nH+]cn1Cc1ccccc1OC ZINC000095564926 185380113 /nfs/dbraw/zinc/38/01/13/185380113.db2.gz IZIPKPLJJKWXRU-UHFFFAOYSA-N 1 2 324.399 4.699 3 0 DJAFLO Cc1ccc(-c2[nH+]c3ccc(C)cn3c2Cc2ccccn2)cc1 ZINC000095571045 185380509 /nfs/dbraw/zinc/38/05/09/185380509.db2.gz ALOXMJHJPMLKMV-UHFFFAOYSA-N 1 2 313.404 4.604 3 0 DJAFLO Cc1ccc(-n2c(Cn3cc[nH+]c3)cc3ccc(Cl)cc32)cc1 ZINC000095587427 185381480 /nfs/dbraw/zinc/38/14/80/185381480.db2.gz ZJXOFPLELJNSAA-UHFFFAOYSA-N 1 2 321.811 4.837 1 0 DJAFLO Cc1ccc([C@H](c2c[nH]cc2-c2ccccc2)n2cc[nH+]c2)cc1 ZINC000005892468 181293778 /nfs/dbraw/zinc/29/37/78/181293778.db2.gz JEVPGEQVOZXWRA-OAQYLSRUSA-N 1 2 313.404 4.824 1 0 DJAFLO [NH2+]=C(Nc1nc(-c2ccccn2)cc2ccccc21)c1ccccc1 ZINC000005933997 181297873 /nfs/dbraw/zinc/29/78/73/181297873.db2.gz KGSHAJBYUHHTJW-UHFFFAOYSA-N 1 2 324.387 4.734 1 0 DJAFLO CN1c2ccccc2C[C@@H](c2ccccc2)[NH+]=C1c1ccccc1 ZINC000027407816 182471443 /nfs/dbraw/zinc/47/14/43/182471443.db2.gz ROPFPNCDXRTEDY-FQEVSTJZSA-N 1 2 312.416 4.867 1 0 DJAFLO C[C@H]1[NH+]=CN(Nc2cccc(Cl)c2)[C@@H]1c1cccc(Cl)c1 ZINC000029327241 182560846 /nfs/dbraw/zinc/56/08/46/182560846.db2.gz VTYIEOYGVYUNIX-BZNIZROVSA-N 1 2 320.223 4.794 1 0 DJAFLO Clc1ccc(CNc2[nH+]ccc3c4ccccc4[nH]c32)cc1 ZINC000072176793 191071144 /nfs/dbraw/zinc/07/11/44/191071144.db2.gz QMPVKUIERXFRFY-UHFFFAOYSA-N 1 2 307.784 4.982 1 0 DJAFLO Cc1[nH+]c(-c2ccncc2C)n2c1c(C)nc1ccc(Cl)cc12 ZINC000073168802 191287578 /nfs/dbraw/zinc/28/75/78/191287578.db2.gz YLDDMTIJXUXGIW-UHFFFAOYSA-N 1 2 322.799 4.523 1 0 DJAFLO CCC(=O)c1c[nH+]c2c(O)cccc2c1Nc1ccc(F)cc1C ZINC000013742222 181888074 /nfs/dbraw/zinc/88/80/74/181888074.db2.gz DPTHZFRFGHLCAG-UHFFFAOYSA-N 1 2 324.355 4.724 1 0 DJAFLO Cn1cccc1CCc1[nH+]c2ccccc2n1C1CCCCC1 ZINC000053243448 183894606 /nfs/dbraw/zinc/89/46/06/183894606.db2.gz WNCQJLZISLPRNN-UHFFFAOYSA-N 1 2 307.441 4.665 1 0 DJAFLO Clc1ccc2[nH]c3c[nH+]c(NCc4ccccc4)cc3c2c1 ZINC000095553053 185379180 /nfs/dbraw/zinc/37/91/80/185379180.db2.gz OSAJYNZBXCKFLB-UHFFFAOYSA-N 1 2 307.784 4.982 1 0 DJAFLO Cc1ccc(O[C@H](CCn2cc[nH+]c2)c2ccc(F)cc2)cc1 ZINC000040863070 183144594 /nfs/dbraw/zinc/14/45/94/183144594.db2.gz JWSSNEAKZRPZFZ-LJQANCHMSA-N 1 2 310.372 4.541 1 0 DJAFLO CC[C@H](c1ccc(-c2ccc(OC)c(OC)c2)cc1)n1cc[nH+]c1 ZINC000043018796 183328857 /nfs/dbraw/zinc/32/88/57/183328857.db2.gz GRYDDWYRANTAMJ-GOSISDBHSA-N 1 2 322.408 4.567 1 0 DJAFLO Clc1ccc(Cn2cc(Cn3cc[nH+]c3)c3ccccc32)cc1 ZINC000003648664 181043354 /nfs/dbraw/zinc/04/33/54/181043354.db2.gz ULGBEQNTNFKWJX-UHFFFAOYSA-N 1 2 321.811 4.588 1 0 DJAFLO CCOc1ccc(Nc2cc(C)[nH+]c3ccc4[nH]cnc4c23)cc1 ZINC000039214844 183014980 /nfs/dbraw/zinc/01/49/80/183014980.db2.gz KCMJPKJKVUVRCM-UHFFFAOYSA-N 1 2 318.380 4.562 1 0 DJAFLO CC[C@H](c1ccc(-c2cc(C)c(O)c(C)c2)cc1)n1cc[nH+]c1 ZINC000043022652 183330913 /nfs/dbraw/zinc/33/09/13/183330913.db2.gz DBNZDJDCWSGGOH-LJQANCHMSA-N 1 2 306.409 4.872 1 0 DJAFLO Clc1ccccc1-c1nc(C[N@@H+]2CCc3ccccc3C2)co1 ZINC000064399344 184296236 /nfs/dbraw/zinc/29/62/36/184296236.db2.gz XWGJWOWXRHGVTB-UHFFFAOYSA-N 1 2 324.811 4.553 1 0 DJAFLO Clc1ccccc1-c1nc(C[N@H+]2CCc3ccccc3C2)co1 ZINC000064399344 184296238 /nfs/dbraw/zinc/29/62/38/184296238.db2.gz XWGJWOWXRHGVTB-UHFFFAOYSA-N 1 2 324.811 4.553 1 0 DJAFLO Fc1ccccc1[C@@H](Nc1cccc[nH+]1)c1c[nH]c2ccccc21 ZINC000095563389 185380016 /nfs/dbraw/zinc/38/00/16/185380016.db2.gz GLMIIVXMUSOTAQ-HXUWFJFHSA-N 1 2 317.367 4.904 1 0 DJAFLO CCCCCNc1nc(NCCCCC)c2ccccc2[nH+]1 ZINC000072141216 191048758 /nfs/dbraw/zinc/04/87/58/191048758.db2.gz JYDVXKIIUMWINP-UHFFFAOYSA-N 1 2 300.450 4.834 1 0 DJAFLO Clc1cccc(CNc2[nH+]ccc3c4ccccc4[nH]c32)c1 ZINC000072176885 191071118 /nfs/dbraw/zinc/07/11/18/191071118.db2.gz MXIAYYMQZFSLAW-UHFFFAOYSA-N 1 2 307.784 4.982 1 0 DJAFLO Clc1ccccc1CNc1[nH+]ccc2c3ccccc3[nH]c21 ZINC000072176687 191071367 /nfs/dbraw/zinc/07/13/67/191071367.db2.gz OEXQJRPVXMTQQB-UHFFFAOYSA-N 1 2 307.784 4.982 1 0 DJAFLO CC1=[NH+]c2ccccc2C1=CC1N=C(c2ccc(F)cc2)OC1=O ZINC000017511385 182084543 /nfs/dbraw/zinc/08/45/43/182084543.db2.gz XLGVUVBZJBIFPZ-GDNBJRDFSA-N 1 2 320.323 4.833 1 0 DJAFLO c1ccc(C[N@@H+]2CCN(c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000029132626 182553916 /nfs/dbraw/zinc/55/39/16/182553916.db2.gz SWFYJUKIZHMECB-JOCHJYFZSA-N 1 2 314.432 4.708 1 0 DJAFLO c1ccc(C[N@H+]2CCN(c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000029132626 182553919 /nfs/dbraw/zinc/55/39/19/182553919.db2.gz SWFYJUKIZHMECB-JOCHJYFZSA-N 1 2 314.432 4.708 1 0 DJAFLO CC(C)CCc1cc(NCC(C)C)nc(SCC(C)C)[nH+]1 ZINC000040422883 183065477 /nfs/dbraw/zinc/06/54/77/183065477.db2.gz GBYADJUDDKDCTE-UHFFFAOYSA-N 1 2 309.523 4.881 1 0 DJAFLO CCOc1ccc(-c2ccc([C@H](CC)n3cc[nH+]c3)cc2)cc1 ZINC000043063676 183333595 /nfs/dbraw/zinc/33/35/95/183333595.db2.gz INNCRFYZHZFDRI-FQEVSTJZSA-N 1 2 306.409 4.948 1 0 DJAFLO FC(F)(F)Oc1ccccc1-c1cccc(-c2c[nH]c[nH+]2)c1 ZINC000058583138 184123657 /nfs/dbraw/zinc/12/36/57/184123657.db2.gz HTJLQTHDZYULHL-UHFFFAOYSA-N 1 2 304.271 4.642 1 0 DJAFLO c1ccc(CCCNc2cc3c(c[nH+]2)[nH]c2ccccc23)cc1 ZINC000066098492 184389441 /nfs/dbraw/zinc/38/94/41/184389441.db2.gz NRAUYLICMXGQSG-UHFFFAOYSA-N 1 2 301.393 4.761 1 0 DJAFLO COc1ccc(Cc2c(C(C)(C)C)[nH+]c3ccc(C)cn32)c(C)c1 ZINC000095566534 185380137 /nfs/dbraw/zinc/38/01/37/185380137.db2.gz WSRDAYVVRGFJGW-UHFFFAOYSA-N 1 2 322.452 4.848 3 0 DJAFLO CCOc1ccc(-c2ccc([C@@H](CC)n3cc[nH+]c3)cc2)cc1 ZINC000043063680 183333823 /nfs/dbraw/zinc/33/38/23/183333823.db2.gz INNCRFYZHZFDRI-HXUWFJFHSA-N 1 2 306.409 4.948 1 0 DJAFLO CCOc1cc2c([nH+]cn2C(C)C)c(NCc2ccccc2)c1 ZINC000061949070 184198444 /nfs/dbraw/zinc/19/84/44/184198444.db2.gz KEHHITQKYDEZMU-UHFFFAOYSA-N 1 2 309.413 4.628 3 0 DJAFLO c1ccc(C[N@@H+]2CCN(c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000029132624 182553311 /nfs/dbraw/zinc/55/33/11/182553311.db2.gz SWFYJUKIZHMECB-QFIPXVFZSA-N 1 2 314.432 4.708 1 0 DJAFLO c1ccc(C[N@H+]2CCN(c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000029132624 182553313 /nfs/dbraw/zinc/55/33/13/182553313.db2.gz SWFYJUKIZHMECB-QFIPXVFZSA-N 1 2 314.432 4.708 1 0 DJAFLO Clc1ccccc1Nc1ncc(-c2ccccc2)n2c[nH+]cc12 ZINC000039033939 183013862 /nfs/dbraw/zinc/01/38/62/183013862.db2.gz NNBICZMPIJMWGC-UHFFFAOYSA-N 1 2 320.783 4.793 1 0 in-vivo DJAFLO CSc1cccc(Nc2cc(C)[nH+]c3ccc4[nH]cnc4c23)c1 ZINC000039214852 183014782 /nfs/dbraw/zinc/01/47/82/183014782.db2.gz FWVAGGRPUYTKJO-UHFFFAOYSA-N 1 2 320.421 4.885 1 0 DJAFLO Cc1ccc(O[C@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2)cc1 ZINC000040395417 183060703 /nfs/dbraw/zinc/06/07/03/183060703.db2.gz ABSDUJJVZAVKOL-GOSISDBHSA-N 1 2 312.800 4.665 1 0 DJAFLO NC1=[NH+]c2ccccc2C(c2ccccc2)=N[C@@H]1c1cccs1 ZINC000040410858 183062969 /nfs/dbraw/zinc/06/29/69/183062969.db2.gz WRBQHLURNAIPDE-GOSISDBHSA-N 1 2 317.417 4.730 1 0 DJAFLO CC[C@@H](c1ccc(-c2ccc(N(C)C)cc2)cc1)n1cc[nH+]c1 ZINC000040834104 183140518 /nfs/dbraw/zinc/14/05/18/183140518.db2.gz LLDXHQGRHXLQFN-FQEVSTJZSA-N 1 2 305.425 4.616 1 0 DJAFLO CCCc1[nH+]c2ccc(Cl)cn2c1Cc1ccccc1OC ZINC000072135052 191045848 /nfs/dbraw/zinc/04/58/48/191045848.db2.gz JMEHJZAFMJZDHL-UHFFFAOYSA-N 1 2 314.816 4.540 3 0 DJAFLO Clc1ccccc1CNc1cc2c(c[nH+]1)[nH]c1ccccc12 ZINC000072175231 191070465 /nfs/dbraw/zinc/07/04/65/191070465.db2.gz IDFDGQMNVDQNTK-UHFFFAOYSA-N 1 2 307.784 4.982 1 0 DJAFLO Clc1cccc(CNc2cc3c(c[nH+]2)[nH]c2ccccc23)c1 ZINC000072177043 191071516 /nfs/dbraw/zinc/07/15/16/191071516.db2.gz RMVTUCNOSKCGCJ-UHFFFAOYSA-N 1 2 307.784 4.982 1 0 DJAFLO Cc1ccc([C@@H](c2c[nH]cc2-c2ccccc2)n2cc[nH+]c2)cc1 ZINC000005892424 181293828 /nfs/dbraw/zinc/29/38/28/181293828.db2.gz JEVPGEQVOZXWRA-NRFANRHFSA-N 1 2 313.404 4.824 1 0 DJAFLO CC[C@@H](c1cc(-c2ccc(F)c(F)c2)cs1)n1cc[nH+]c1 ZINC000029131303 182553532 /nfs/dbraw/zinc/55/35/32/182553532.db2.gz LHQBOBSDAYQVIZ-HNNXBMFYSA-N 1 2 304.365 4.889 1 0 DJAFLO CC1=[NH+][C@H](C)Cc2c(-c3cccc4ccccc43)ccc(O)c21 ZINC000064454417 184297373 /nfs/dbraw/zinc/29/73/73/184297373.db2.gz OMIXRGPRFMDONE-CYBMUJFWSA-N 1 2 301.389 4.966 1 0 DJAFLO CCn1ccc2cc([C@@H](c3ccc(F)cc3)n3cc[nH+]c3)ccc21 ZINC000003917253 181058104 /nfs/dbraw/zinc/05/81/04/181058104.db2.gz OTIGTACSUNMYAA-HXUWFJFHSA-N 1 2 319.383 4.635 1 0 DJAFLO Clc1ccc(C[C@@H](Cc2ccccc2)n2cc[nH+]c2)s1 ZINC000040404043 183062248 /nfs/dbraw/zinc/06/22/48/183062248.db2.gz OZSAQRPUZCLBDH-CQSZACIVSA-N 1 2 302.830 4.625 1 0 DJAFLO CC(C)c1cccc(NCc2c[nH+]cn2Cc2ccccc2)c1 ZINC000040424178 183065461 /nfs/dbraw/zinc/06/54/61/183065461.db2.gz JKFRLPCPCOIRLY-UHFFFAOYSA-N 1 2 305.425 4.667 1 0 DJAFLO CCCc1c(-c2ccc(F)cc2)[nH+]cn1Cc1ccccc1OC ZINC000095564627 185380108 /nfs/dbraw/zinc/38/01/08/185380108.db2.gz YSZRFYNFFKSOBN-UHFFFAOYSA-N 1 2 324.399 4.699 3 0 DJAFLO CCCc1c(-c2ccccc2)[nH+]cn1Cc1ccccc1OC ZINC000095564751 185380132 /nfs/dbraw/zinc/38/01/32/185380132.db2.gz OQCQLNGIEDESEO-UHFFFAOYSA-N 1 2 306.409 4.560 3 0 DJAFLO CC(=O)c1ccc(Nc2cc[nH+]c3ccc4[nH]ccc4c23)cc1 ZINC000040872555 183145426 /nfs/dbraw/zinc/14/54/26/183145426.db2.gz STPIPGQNQOEASR-UHFFFAOYSA-N 1 2 301.349 4.662 1 0 DJAFLO CC[C@@H](c1ccc(-c2ccc(O)c(Cl)c2)cc1)n1cc[nH+]c1 ZINC000042989302 183326107 /nfs/dbraw/zinc/32/61/07/183326107.db2.gz IZQNXPIWJTTZEN-KRWDZBQOSA-N 1 2 312.800 4.909 1 0 DJAFLO COc1ccccc1Cc1c(C(C)(C)C)[nH+]c2ccc(C)cn21 ZINC000072137910 191048630 /nfs/dbraw/zinc/04/86/30/191048630.db2.gz YIHMOTALUHRXJT-UHFFFAOYSA-N 1 2 308.425 4.540 3 0 DJAFLO O=C(Nc1cc(NC2CCCC2)[nH+]c2ccccc12)C1CCCC1 ZINC000040392878 183060612 /nfs/dbraw/zinc/06/06/12/183060612.db2.gz UBGJTKNQGYXSEH-UHFFFAOYSA-N 1 2 323.440 4.718 1 0 DJAFLO Cc1ccc(O[C@@H](CCn2cc[nH+]c2)c2ccc(F)cc2)cc1 ZINC000040863068 183144628 /nfs/dbraw/zinc/14/46/28/183144628.db2.gz JWSSNEAKZRPZFZ-IBGZPJMESA-N 1 2 310.372 4.541 1 0 DJAFLO CC[C@@H](c1ccc(-c2cc(C)c(O)c(C)c2)cc1)n1cc[nH+]c1 ZINC000043022649 183330287 /nfs/dbraw/zinc/33/02/87/183330287.db2.gz DBNZDJDCWSGGOH-IBGZPJMESA-N 1 2 306.409 4.872 1 0 DJAFLO Cc1ccc2[nH+]c(-c3ccccc3)c(Cc3ccsc3)n2c1 ZINC000095566606 185380246 /nfs/dbraw/zinc/38/02/46/185380246.db2.gz ILFGTCBUOPNNCQ-UHFFFAOYSA-N 1 2 304.418 4.962 3 0 DJAFLO CCCC(=O)c1c[nH+]c2ccc(O)cc2c1Nc1ccccc1C ZINC000013742206 181887769 /nfs/dbraw/zinc/88/77/69/181887769.db2.gz OAEPPJBDGPGZQD-UHFFFAOYSA-N 1 2 320.392 4.975 1 0 DJAFLO Cc1ccc(O[C@@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2)cc1 ZINC000040395416 183060707 /nfs/dbraw/zinc/06/07/07/183060707.db2.gz ABSDUJJVZAVKOL-SFHVURJKSA-N 1 2 312.800 4.665 1 0 DJAFLO Clc1ccc([C@H](CCn2cc[nH+]c2)Oc2ccccc2)cc1 ZINC000040848059 183141396 /nfs/dbraw/zinc/14/13/96/183141396.db2.gz CTRZCHIMRCQCPV-SFHVURJKSA-N 1 2 312.800 4.747 1 0 DJAFLO Clc1ccc(CNc2cc3c(c[nH+]2)[nH]c2ccccc23)cc1 ZINC000072175696 191070347 /nfs/dbraw/zinc/07/03/47/191070347.db2.gz HKNGHBXTYJUNBW-UHFFFAOYSA-N 1 2 307.784 4.982 1 0 DJAFLO CCn1cc([C@@H](c2ccc(F)cc2)n2cc[nH+]c2)c2ccccc21 ZINC000003917251 181057991 /nfs/dbraw/zinc/05/79/91/181057991.db2.gz RHABPMUKMVYRLG-HXUWFJFHSA-N 1 2 319.383 4.635 1 0 DJAFLO c1ccc2c(c1)cccc2CCO[C@@H]1CCCC[C@H]1[NH+]1CCCC1 ZINC000028653637 182534121 /nfs/dbraw/zinc/53/41/21/182534121.db2.gz IAQXYYKVTKROEA-FGZHOGPDSA-N 1 2 323.480 4.806 1 0 DJAFLO CC[C@H](c1ccc(-c2ccc(O)c(Cl)c2)cc1)n1cc[nH+]c1 ZINC000042989304 183326215 /nfs/dbraw/zinc/32/62/15/183326215.db2.gz IZQNXPIWJTTZEN-QGZVFWFLSA-N 1 2 312.800 4.909 1 0 DJAFLO Cc1cc(Oc2cccc(Cn3cc[nH+]c3)c2)cc(C)c1Cl ZINC000095581655 185380925 /nfs/dbraw/zinc/38/09/25/185380925.db2.gz KRDUMXYLMIWMMP-UHFFFAOYSA-N 1 2 312.800 4.994 1 0 in-vitro DJAFLO Cc1[nH+]c(-c2ccccc2C)n2c1c(C)nc1ccc(F)cc12 ZINC000073157526 191285673 /nfs/dbraw/zinc/28/56/73/191285673.db2.gz VCYNWUHOQVCKIZ-UHFFFAOYSA-N 1 2 305.356 4.614 1 0 DJAFLO NC1=[NH+]c2ccccc2C(c2ccccc2)=N[C@H]1c1cccs1 ZINC000040410861 183063098 /nfs/dbraw/zinc/06/30/98/183063098.db2.gz WRBQHLURNAIPDE-SFHVURJKSA-N 1 2 317.417 4.730 1 0 DJAFLO CC[C@H](c1ccc(-c2ccc(NC(C)=O)cc2)cc1)n1cc[nH+]c1 ZINC000040977554 183154188 /nfs/dbraw/zinc/15/41/88/183154188.db2.gz GMHNBYFCCAFDRN-HXUWFJFHSA-N 1 2 319.408 4.508 1 0 DJAFLO CC[C@@H](c1ccc(-c2ccc(NC(C)=O)cc2)cc1)n1cc[nH+]c1 ZINC000040977552 183154410 /nfs/dbraw/zinc/15/44/10/183154410.db2.gz GMHNBYFCCAFDRN-FQEVSTJZSA-N 1 2 319.408 4.508 1 0 DJAFLO Fc1ccccc1[C@H](Nc1cccc[nH+]1)c1c[nH]c2ccccc21 ZINC000095563390 185380011 /nfs/dbraw/zinc/38/00/11/185380011.db2.gz GLMIIVXMUSOTAQ-FQEVSTJZSA-N 1 2 317.367 4.904 1 0 DJAFLO Cc1[nH]c2nc[nH+]c(Nc3cc(Cl)cc(Cl)c3)c2c1C ZINC000003815296 181046890 /nfs/dbraw/zinc/04/68/90/181046890.db2.gz MQEHEANDFNFOSY-UHFFFAOYSA-N 1 2 307.184 4.625 1 0 DJAFLO Clc1ccc(C[C@H](Cc2ccccc2)n2cc[nH+]c2)s1 ZINC000040404040 183062526 /nfs/dbraw/zinc/06/25/26/183062526.db2.gz OZSAQRPUZCLBDH-AWEZNQCLSA-N 1 2 302.830 4.625 1 0 DJAFLO CC[C@H](c1ccc(-c2ccc(N(C)C)cc2)cc1)n1cc[nH+]c1 ZINC000040834106 183140128 /nfs/dbraw/zinc/14/01/28/183140128.db2.gz LLDXHQGRHXLQFN-HXUWFJFHSA-N 1 2 305.425 4.616 1 0 DJAFLO CCCc1c(-c2ccccc2F)[nH+]cn1Cc1ccccc1OC ZINC000095565997 185380222 /nfs/dbraw/zinc/38/02/22/185380222.db2.gz CROMSZOSXBQGEA-UHFFFAOYSA-N 1 2 324.399 4.699 3 0 DJAFLO CC1(C)C=Cc2cc([C@@H](c3ccccc3)n3cc[nH+]c3)ccc2O1 ZINC000072182021 191072554 /nfs/dbraw/zinc/07/25/54/191072554.db2.gz PXDKEPHVEHJENL-HXUWFJFHSA-N 1 2 316.404 4.705 1 0 DJAFLO CC1(C)C=Cc2cc([C@H](c3ccccc3)n3cc[nH+]c3)ccc2O1 ZINC000072182022 191072803 /nfs/dbraw/zinc/07/28/03/191072803.db2.gz PXDKEPHVEHJENL-FQEVSTJZSA-N 1 2 316.404 4.705 1 0 DJAFLO CSc1ccccc1Nc1cc(C)[nH+]c2ccc3[nH]cnc3c12 ZINC000039214853 183014750 /nfs/dbraw/zinc/01/47/50/183014750.db2.gz MRKVCVGZXQONGL-UHFFFAOYSA-N 1 2 320.421 4.885 1 0 DJAFLO Clc1ccc([C@@H](CCn2cc[nH+]c2)Oc2ccccc2)cc1 ZINC000040848060 183141142 /nfs/dbraw/zinc/14/11/42/183141142.db2.gz CTRZCHIMRCQCPV-GOSISDBHSA-N 1 2 312.800 4.747 1 0 DJAFLO FC(F)(F)c1ccc(O[C@H]2CCCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000040861465 183144370 /nfs/dbraw/zinc/14/43/70/183144370.db2.gz COFDNGLFIOANBW-CJNGLKHVSA-N 1 2 324.346 4.540 1 0 DJAFLO CC[C@@H](c1ccc(-c2ccc(OC)c(OC)c2)cc1)n1cc[nH+]c1 ZINC000043018794 183329053 /nfs/dbraw/zinc/32/90/53/183329053.db2.gz GRYDDWYRANTAMJ-SFHVURJKSA-N 1 2 322.408 4.567 1 0 DJAFLO CC1=[NH+][C@H](C)Cc2c(-c3ccc4ccccc4c3)ccc(O)c21 ZINC000064454460 184297633 /nfs/dbraw/zinc/29/76/33/184297633.db2.gz GVLGNVUQNHMAGA-CYBMUJFWSA-N 1 2 301.389 4.966 1 0 DJAFLO