smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](O)CCN(C)C(=O)c1ccc(Cl)c(Cl)c1O ZINC000159912483 378737076 /nfs/dbraw/zinc/73/70/76/378737076.db2.gz MMHOHFWYTPTWJV-SSDOTTSWSA-N 0 2 292.162 2.542 20 70 CFIDLN CCC(CC)c1cc(C(=O)Nc2nc(C)no2)on1 ZINC000161245872 521632509 /nfs/dbraw/zinc/63/25/09/521632509.db2.gz BIFZKPHSZAKUTG-UHFFFAOYSA-N 0 2 264.285 2.522 20 70 CFIDLN O=C(CC1CCCCC1)NS(=O)(=O)c1ccsc1 ZINC000159827655 534825406 /nfs/dbraw/zinc/82/54/06/534825406.db2.gz FJLAKMZXSKHFHS-UHFFFAOYSA-N 0 2 287.406 2.523 20 70 CFIDLN CCCCc1cc(NS(=O)(=O)c2ccccc2)[nH]n1 ZINC000159940165 378739232 /nfs/dbraw/zinc/73/92/32/378739232.db2.gz GYMHFRUEMMJJJM-UHFFFAOYSA-N 0 2 279.365 2.553 20 70 CFIDLN O=C(NOCc1cccnc1)C1(c2ccccc2)CCC1 ZINC000160739657 378794493 /nfs/dbraw/zinc/79/44/93/378794493.db2.gz XOUNXTPAMGMBNA-UHFFFAOYSA-N 0 2 282.343 2.751 20 70 CFIDLN Cc1ccc(S(=O)(=O)Nc2cc(O)cc(F)c2)s1 ZINC000161282761 322350008 /nfs/dbraw/zinc/35/00/08/322350008.db2.gz FHHLPWLGRCQCAE-UHFFFAOYSA-N 0 2 287.337 2.702 20 70 CFIDLN CCCCc1cc(NS(=O)(=O)c2ccc(C)s2)[nH]n1 ZINC000159936324 322330531 /nfs/dbraw/zinc/33/05/31/322330531.db2.gz YOMXTUSMQFJVHR-UHFFFAOYSA-N 0 2 299.421 2.923 20 70 CFIDLN CC(C)OCCCNC(=O)c1cc(F)cc(Cl)c1O ZINC000160330333 378764162 /nfs/dbraw/zinc/76/41/62/378764162.db2.gz DEXJSVNRYXETLU-UHFFFAOYSA-N 0 2 289.734 2.730 20 70 CFIDLN Cc1c(F)cccc1S(=O)(=O)Nc1cc(C(C)C)n[nH]1 ZINC000160653156 378789841 /nfs/dbraw/zinc/78/98/41/378789841.db2.gz VDUGOYXQHBZMDT-UHFFFAOYSA-N 0 2 297.355 2.781 20 70 CFIDLN Cn1nccc1NS(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000160322976 322336188 /nfs/dbraw/zinc/33/61/88/322336188.db2.gz QSKWTZZVBBSNOY-UHFFFAOYSA-N 0 2 299.421 2.580 20 70 CFIDLN CC(C)(C)c1cnc([S@@](=O)CC(=O)c2ccc[nH]2)s1 ZINC000160474154 378776290 /nfs/dbraw/zinc/77/62/90/378776290.db2.gz VRVXOLSXVLEYOE-LJQANCHMSA-N 0 2 296.417 2.759 20 70 CFIDLN CC(C)(C)c1cnc([S@@](=O)C=C(O)c2ccc[nH]2)s1 ZINC000160474154 378776297 /nfs/dbraw/zinc/77/62/97/378776297.db2.gz VRVXOLSXVLEYOE-LJQANCHMSA-N 0 2 296.417 2.759 20 70 CFIDLN Cn1cc(NS(=O)(=O)c2ccc(C(C)(C)C)s2)cn1 ZINC000161193101 378830041 /nfs/dbraw/zinc/83/00/41/378830041.db2.gz IBFFFEXDKZIEGQ-UHFFFAOYSA-N 0 2 299.421 2.580 20 70 CFIDLN COc1cc(NS(=O)(=O)c2ccccc2F)ccc1F ZINC000160240873 522756918 /nfs/dbraw/zinc/75/69/18/522756918.db2.gz CSBLBYTWZUHDMA-UHFFFAOYSA-N 0 2 299.298 2.774 20 70 CFIDLN CCC(=O)c1cccc(NC(=O)c2ccc3[nH]nnc3c2)c1 ZINC000160716355 528477223 /nfs/dbraw/zinc/47/72/23/528477223.db2.gz RUQOCNNQOCTVLW-UHFFFAOYSA-N 0 2 294.314 2.803 20 70 CFIDLN Cc1ccc(F)c(S(=O)(=O)Nc2cc(O)cc(F)c2)c1 ZINC000161305502 232251330 /nfs/dbraw/zinc/25/13/30/232251330.db2.gz YKKOMJRBIRYEBE-UHFFFAOYSA-N 0 2 299.298 2.780 20 70 CFIDLN CCCCc1cc(NS(=O)(=O)c2cccc(F)c2)[nH]n1 ZINC000159954121 378738577 /nfs/dbraw/zinc/73/85/77/378738577.db2.gz RDTDHQLOWRXZOF-UHFFFAOYSA-N 0 2 297.355 2.692 20 70 CFIDLN CCCCc1cc(NS(=O)(=O)c2ccccc2F)[nH]n1 ZINC000159959343 378739939 /nfs/dbraw/zinc/73/99/39/378739939.db2.gz XMUQMMIUGFHWFF-UHFFFAOYSA-N 0 2 297.355 2.692 20 70 CFIDLN COc1cc(C[N@H+](C)CCn2cc[nH+]c2)ccc1SC ZINC000161508152 378853339 /nfs/dbraw/zinc/85/33/39/378853339.db2.gz CYCRLKZMELPUOH-UHFFFAOYSA-N 0 2 291.420 2.746 20 70 CFIDLN Cc1cc(C(=O)Nc2ccc3nn[nH]c3c2)cc(C)c1F ZINC000160955025 322345438 /nfs/dbraw/zinc/34/54/38/322345438.db2.gz VMIKVUOXIGWYGF-UHFFFAOYSA-N 0 2 284.294 2.966 20 70 CFIDLN C[C@H](O)CCN(C)C(=O)c1ccc(Cl)c(Cl)c1O ZINC000159912349 378736777 /nfs/dbraw/zinc/73/67/77/378736777.db2.gz MMHOHFWYTPTWJV-ZETCQYMHSA-N 0 2 292.162 2.542 20 70 CFIDLN CCCCc1cc(NS(=O)(=O)c2ccccc2C)[nH]n1 ZINC000159961893 322330986 /nfs/dbraw/zinc/33/09/86/322330986.db2.gz AYPYFTMCAVFTDD-UHFFFAOYSA-N 0 2 293.392 2.862 20 70 CFIDLN Cc1ccc(-c2n[nH]c(NC(=O)c3ncoc3C)c2C)o1 ZINC000161457168 232252134 /nfs/dbraw/zinc/25/21/34/232252134.db2.gz DNKAPBMMIVRDHE-UHFFFAOYSA-N 0 2 286.291 2.835 20 70 CFIDLN Cc1cc(F)cc(S(=O)(=O)Nc2cc(C(C)C)n[nH]2)c1 ZINC000160643820 378788553 /nfs/dbraw/zinc/78/85/53/378788553.db2.gz ZKCNUONOSPAMJB-UHFFFAOYSA-N 0 2 297.355 2.781 20 70 CFIDLN CCCCn1ncc(NS(=O)(=O)c2ccccc2)c1C ZINC000160189701 322334034 /nfs/dbraw/zinc/33/40/34/322334034.db2.gz ZHJFCXBYINEEBO-UHFFFAOYSA-N 0 2 293.392 2.792 20 70 CFIDLN CCCCn1ncc(NS(=O)(=O)c2cccs2)c1C ZINC000160201277 322334284 /nfs/dbraw/zinc/33/42/84/322334284.db2.gz VILFSCWJLSLRCZ-UHFFFAOYSA-N 0 2 299.421 2.854 20 70 CFIDLN CC(C)(C)c1cnc([S@](=O)CC(=O)c2ccc[nH]2)s1 ZINC000160474294 378776372 /nfs/dbraw/zinc/77/63/72/378776372.db2.gz VRVXOLSXVLEYOE-IBGZPJMESA-N 0 2 296.417 2.759 20 70 CFIDLN CC(C)(C)c1cnc([S@](=O)C=C(O)c2ccc[nH]2)s1 ZINC000160474294 378776379 /nfs/dbraw/zinc/77/63/79/378776379.db2.gz VRVXOLSXVLEYOE-IBGZPJMESA-N 0 2 296.417 2.759 20 70 CFIDLN O=C(/C=C/C1CCCCC1)NS(=O)(=O)c1ccsc1 ZINC000160056618 322332028 /nfs/dbraw/zinc/33/20/28/322332028.db2.gz NCYXYNNAYRCKPP-VOTSOKGWSA-N 0 2 299.417 2.690 20 70 CFIDLN Cc1cc(NS(=O)(=O)c2cccc(C(C)C)c2)nn1C ZINC000161507243 322352825 /nfs/dbraw/zinc/35/28/25/322352825.db2.gz QAXWEBLBCIFDLF-UHFFFAOYSA-N 0 2 293.392 2.653 20 70 CFIDLN Cc1cc(C)c(C)c(S(=O)(=O)Nc2nncs2)c1C ZINC000160571298 301181163 /nfs/dbraw/zinc/18/11/63/301181163.db2.gz SYEVHDNMXSTEFF-UHFFFAOYSA-N 0 2 297.405 2.573 20 70 CFIDLN CCCCc1cc(NS(=O)(=O)c2ccc(C)cc2)[nH]n1 ZINC000159969947 322331130 /nfs/dbraw/zinc/33/11/30/322331130.db2.gz OHODYQNQCJWMGH-UHFFFAOYSA-N 0 2 293.392 2.862 20 70 CFIDLN Cc1n[nH]c(NS(=O)(=O)c2cccc(C(C)C)c2)c1C ZINC000160494121 322338770 /nfs/dbraw/zinc/33/87/70/322338770.db2.gz CHMRMSZQDSWOLI-UHFFFAOYSA-N 0 2 293.392 2.951 20 70 CFIDLN Cc1[nH]nc(NS(=O)(=O)c2cccc(C(C)C)c2)c1C ZINC000160494121 322338772 /nfs/dbraw/zinc/33/87/72/322338772.db2.gz CHMRMSZQDSWOLI-UHFFFAOYSA-N 0 2 293.392 2.951 20 70 CFIDLN COc1cccc(N2N=C(c3ccccc3)CC2=O)c1 ZINC000160981118 348022461 /nfs/dbraw/zinc/02/24/61/348022461.db2.gz COVRPJUWGOUKDB-UHFFFAOYSA-N 0 2 266.300 2.836 20 70 CFIDLN Cc1ccc(S(=O)(=O)Nc2cc(O)cc(F)c2)c(F)c1 ZINC000161308495 534212982 /nfs/dbraw/zinc/21/29/82/534212982.db2.gz KWOHQQALPTWEPP-UHFFFAOYSA-N 0 2 299.298 2.780 20 70 CFIDLN CCC[C@H](C(=O)Nc1ccc2nn[nH]c2c1)C(C)C ZINC000160956380 322345536 /nfs/dbraw/zinc/34/55/36/322345536.db2.gz QXFBNPIUGSHAAK-NSHDSACASA-N 0 2 260.341 2.969 20 70 CFIDLN Cc1n[nH]c(NS(=O)(=O)c2ccc(C)c(Cl)c2)c1C ZINC000160487740 322338689 /nfs/dbraw/zinc/33/86/89/322338689.db2.gz AFYBVDHUMUOQDL-UHFFFAOYSA-N 0 2 299.783 2.789 20 70 CFIDLN Cc1[nH]nc(NS(=O)(=O)c2ccc(C)c(Cl)c2)c1C ZINC000160487740 322338691 /nfs/dbraw/zinc/33/86/91/322338691.db2.gz AFYBVDHUMUOQDL-UHFFFAOYSA-N 0 2 299.783 2.789 20 70 CFIDLN CCCCn1ncc(C(=O)Nc2ccc3nn[nH]c3c2)c1C ZINC000160088590 322332542 /nfs/dbraw/zinc/33/25/42/322332542.db2.gz ZHFKDGSWMBKSFE-UHFFFAOYSA-N 0 2 298.350 2.515 20 70 CFIDLN CCC[C@@H](C(=O)Nc1ccc2nn[nH]c2c1)C(C)C ZINC000160956535 322345308 /nfs/dbraw/zinc/34/53/08/322345308.db2.gz QXFBNPIUGSHAAK-LLVKDONJSA-N 0 2 260.341 2.969 20 70 CFIDLN COCCCn1ccc(Nc2nc(C(C)(C)C)ns2)n1 ZINC000159629043 523506131 /nfs/dbraw/zinc/50/61/31/523506131.db2.gz ZSXBGHQNQOIHAG-UHFFFAOYSA-N 0 2 295.412 2.812 20 70 CFIDLN CSc1ccc(S(=O)(=O)Nc2[nH]nc(C)c2C)cc1 ZINC000160473462 541426310 /nfs/dbraw/zinc/42/63/10/541426310.db2.gz RRJZBHXFLHYOPO-UHFFFAOYSA-N 0 2 297.405 2.549 20 70 CFIDLN CSc1ccc(S(=O)(=O)Nc2n[nH]c(C)c2C)cc1 ZINC000160473462 541426312 /nfs/dbraw/zinc/42/63/12/541426312.db2.gz RRJZBHXFLHYOPO-UHFFFAOYSA-N 0 2 297.405 2.549 20 70 CFIDLN COc1ccc(NS(=O)(=O)c2ccc(C)s2)c(C)n1 ZINC000160666359 378789407 /nfs/dbraw/zinc/78/94/07/378789407.db2.gz KREJYOARAJLLSH-UHFFFAOYSA-N 0 2 298.389 2.569 20 70 CFIDLN CCC1(C(=O)NS(=O)(=O)c2ccsc2)CCCC1 ZINC000160071015 529003664 /nfs/dbraw/zinc/00/36/64/529003664.db2.gz TYVBTYCDWLGZDD-UHFFFAOYSA-N 0 2 287.406 2.523 20 70 CFIDLN CCc1cccc(S(=O)(=O)Nc2cc(C(C)C)n[nH]2)c1 ZINC000160650910 378789524 /nfs/dbraw/zinc/78/95/24/378789524.db2.gz DLGFIAKTZCQIPW-UHFFFAOYSA-N 0 2 293.392 2.896 20 70 CFIDLN CCCCc1cc(NS(=O)(=O)c2ccc(F)cc2)[nH]n1 ZINC000159940012 378738928 /nfs/dbraw/zinc/73/89/28/378738928.db2.gz QJGSRIGYKYBRHS-UHFFFAOYSA-N 0 2 297.355 2.692 20 70 CFIDLN O=C(NS(=O)(=O)c1ccsc1)C1CCCCCC1 ZINC000159641302 232245388 /nfs/dbraw/zinc/24/53/88/232245388.db2.gz NTLCHWDRHOAVSF-UHFFFAOYSA-N 0 2 287.406 2.523 20 70 CFIDLN CC(C)c1ccc(C(=O)Nc2ccc3nn[nH]c3c2)cn1 ZINC000160087871 322332499 /nfs/dbraw/zinc/33/24/99/322332499.db2.gz NUYRJYLPGDOPJU-UHFFFAOYSA-N 0 2 281.319 2.729 20 70 CFIDLN Cc1cc(NC(=O)c2cc(F)cc(Cl)c2O)no1 ZINC000160441675 232248399 /nfs/dbraw/zinc/24/83/99/232248399.db2.gz FWGXLIDGAMOSTH-UHFFFAOYSA-N 0 2 270.647 2.733 20 70 CFIDLN O=C(NC1CC=CC1)c1cc(F)cc(Cl)c1O ZINC000161383851 541615180 /nfs/dbraw/zinc/61/51/80/541615180.db2.gz IDJSYDOSHYLVIX-UHFFFAOYSA-N 0 2 255.676 2.633 20 70 CFIDLN