smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccnc(N(C)Cc2nc(=O)c3sccc3[nH]2)n1 ZINC000160614233 408501762 /nfs/dbraw/zinc/50/17/62/408501762.db2.gz OYVWONXKYDTEKS-UHFFFAOYSA-N 0 2 303.347 1.420 20 70 DDIDLN Cc1cccc(S(=O)(=O)NC[C@H](C)CO)c1Br ZINC000159723687 186137176 /nfs/dbraw/zinc/13/71/76/186137176.db2.gz BBIAKZYVYAVJNX-QMMMGPOBSA-N 0 2 322.224 1.664 20 70 DDIDLN Cc1n[nH]cc1S(=O)(=O)Nc1ccccc1O[C@@H]1CCOC1 ZINC000161040257 408551221 /nfs/dbraw/zinc/55/12/21/408551221.db2.gz VNINUFFFDPIRIH-LLVKDONJSA-N 0 2 323.374 1.687 20 70 DDIDLN CCCCCNC(=O)[C@H](C)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161172959 408568998 /nfs/dbraw/zinc/56/89/98/408568998.db2.gz GPLWPQVPSDFQDV-NSHDSACASA-N 0 2 301.412 1.030 20 70 DDIDLN Cc1ccc(N2C[C@H](C(=O)NC[C@H](O)C(C)C)CC2=O)cc1 ZINC000159720044 186137543 /nfs/dbraw/zinc/13/75/43/186137543.db2.gz KYDYUDMLQGDTJR-HIFRSBDPSA-N 0 2 304.390 1.481 20 70 DDIDLN COc1ccsc1S(=O)(=O)Nc1c(C)c(C)nn1C ZINC000159632485 186131900 /nfs/dbraw/zinc/13/19/00/186131900.db2.gz YWBZDURIBCFHDB-UHFFFAOYSA-N 0 2 301.393 1.908 20 70 DDIDLN Cn1cc(S(=O)(=O)Nc2ccccc2O[C@@H]2CCOC2)cn1 ZINC000161021418 408552026 /nfs/dbraw/zinc/55/20/26/408552026.db2.gz NSVGMQQBJDDATF-LLVKDONJSA-N 0 2 323.374 1.389 20 70 DDIDLN C[C@H]1CCC[C@H](C(=O)Nc2nnc(NS(C)(=O)=O)s2)C1 ZINC000161412250 408600577 /nfs/dbraw/zinc/60/05/77/408600577.db2.gz ITZBXAVKCDOBLY-YUMQZZPRSA-N 0 2 318.424 1.674 20 70 DDIDLN CCC(CC)NC(=O)[C@H](C)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161173712 408568223 /nfs/dbraw/zinc/56/82/23/408568223.db2.gz NHUQUAAVQWBQDK-JTQLQIEISA-N 0 2 301.412 1.028 20 70 DDIDLN CCc1c(NS(=O)(=O)c2c[nH]nc2C)cnn1CC(C)C ZINC000160396741 539220041 /nfs/dbraw/zinc/22/00/41/539220041.db2.gz IRKUMGMNUGPRFB-UHFFFAOYSA-N 0 2 311.411 1.934 20 70 DDIDLN CC[C@@H](CC(=O)NCc1n[nH]c(=O)[nH]1)c1ccc(OC)cc1 ZINC000160124220 290767309 /nfs/dbraw/zinc/76/73/09/290767309.db2.gz RKZMJUHPAWTLFR-JTQLQIEISA-N 0 2 304.350 1.307 20 70 DDIDLN O=C(c1cccc2nc[nH]c21)N1CCC[C@H]1CN1CCOCC1 ZINC000159724743 186137513 /nfs/dbraw/zinc/13/75/13/186137513.db2.gz ULOFBVWQVDQRHH-ZDUSSCGKSA-N 0 2 314.389 1.500 20 70 DDIDLN C[C@@H](CO)CNS(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000159718976 186137254 /nfs/dbraw/zinc/13/72/54/186137254.db2.gz KOFGRGAJQJGEEM-SECBINFHSA-N 0 2 324.805 1.374 20 70 DDIDLN Cc1cc(C)c(NC(=O)CN(C)CC(C)(CO)CO)c(C)c1 ZINC000159565805 186127315 /nfs/dbraw/zinc/12/73/15/186127315.db2.gz AGNJYFDHAJGXIB-UHFFFAOYSA-N 0 2 308.422 1.473 20 70 DDIDLN CC(C)[C@@H](O)CNC(=O)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000159723870 186137305 /nfs/dbraw/zinc/13/73/05/186137305.db2.gz DIAMDDXCAIMODX-RYUDHWBXSA-N 0 2 310.419 1.486 20 70 DDIDLN CCC[C@@H](C)NC(=O)[C@H](C)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161174053 408569938 /nfs/dbraw/zinc/56/99/38/408569938.db2.gz RWJSMISVIYQEEK-MNOVXSKESA-N 0 2 301.412 1.028 20 70 DDIDLN COc1ccc(N2CC(=O)C(C(=O)N[C@@H]3CCC[C@H]3O)=N2)cc1 ZINC000160899504 408536211 /nfs/dbraw/zinc/53/62/11/408536211.db2.gz YWOLSRDRPKLCMU-CHWSQXEVSA-N 0 2 317.345 1.230 20 70 DDIDLN O=C(NS(=O)(=O)c1ccsc1)[C@H]1CC1(Cl)Cl ZINC000159472344 408411828 /nfs/dbraw/zinc/41/18/28/408411828.db2.gz XGOCSXIDXOGGGM-ZCFIWIBFSA-N 0 2 300.188 1.747 20 70 DDIDLN CC(C)[C@H](O)CNC(=O)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000159723752 186137522 /nfs/dbraw/zinc/13/75/22/186137522.db2.gz DIAMDDXCAIMODX-NWDGAFQWSA-N 0 2 310.419 1.486 20 70 DDIDLN C[C@H](CO)CNS(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000159718874 186137494 /nfs/dbraw/zinc/13/74/94/186137494.db2.gz KOFGRGAJQJGEEM-VIFPVBQESA-N 0 2 324.805 1.374 20 70 DDIDLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1nccs1 ZINC000160852112 408529928 /nfs/dbraw/zinc/52/99/28/408529928.db2.gz AJVLXOZCDPDOKO-UHFFFAOYSA-N 0 2 316.335 1.870 20 70 DDIDLN CN(Cc1nc(=O)c2sccc2[nH]1)c1ccc2nccnc2n1 ZINC000160645475 408508530 /nfs/dbraw/zinc/50/85/30/408508530.db2.gz WBYJSAVKDKBBBH-UHFFFAOYSA-N 0 2 324.369 1.959 20 70 DDIDLN O=c1nc(CSCCN2CCOCC2)[nH]c2ccsc21 ZINC000159763308 197362787 /nfs/dbraw/zinc/36/27/87/197362787.db2.gz BMFGUNMNVOWHMD-UHFFFAOYSA-N 0 2 311.432 1.550 20 70 DDIDLN CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)c1nc(=O)[nH][nH]1 ZINC000159492682 290758753 /nfs/dbraw/zinc/75/87/53/290758753.db2.gz LWCUNBRHQDPGIJ-CYBMUJFWSA-N 0 2 302.378 1.890 20 70 DDIDLN Cc1ccccc1NC(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000159723906 186137460 /nfs/dbraw/zinc/13/74/60/186137460.db2.gz HZQYCEWYGUTDDN-GFCCVEGCSA-N 0 2 311.407 1.541 20 70 DDIDLN CC(C)Cc1ccc(CCC(=O)NCc2n[nH]c(=O)[nH]2)cc1 ZINC000160119515 408457529 /nfs/dbraw/zinc/45/75/29/408457529.db2.gz JEATZUPEEFQCMY-UHFFFAOYSA-N 0 2 302.378 1.546 20 70 DDIDLN COc1ccc(NS(=O)(=O)c2cnn(C(C)C)c2)c(C)n1 ZINC000160673949 408510154 /nfs/dbraw/zinc/51/01/54/408510154.db2.gz GSTUNVZSKLOUJJ-UHFFFAOYSA-N 0 2 310.379 1.977 20 70 DDIDLN C[C@H]1CCC[C@@H](C(=O)Nc2nnc(NS(C)(=O)=O)s2)C1 ZINC000161412489 408599361 /nfs/dbraw/zinc/59/93/61/408599361.db2.gz ITZBXAVKCDOBLY-JGVFFNPUSA-N 0 2 318.424 1.674 20 70 DDIDLN Cc1ccccc1NC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000159723299 186137573 /nfs/dbraw/zinc/13/75/73/186137573.db2.gz HSNYERYFSOMQLV-LBPRGKRZSA-N 0 2 311.407 1.398 20 70 DDIDLN CCCCCNC(=O)[C@@H](C)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161172837 408568616 /nfs/dbraw/zinc/56/86/16/408568616.db2.gz GPLWPQVPSDFQDV-LLVKDONJSA-N 0 2 301.412 1.030 20 70 DDIDLN CCC[C@H](C)NC(=O)[C@@H](C)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161173939 408569859 /nfs/dbraw/zinc/56/98/59/408569859.db2.gz RWJSMISVIYQEEK-WDEREUQCSA-N 0 2 301.412 1.028 20 70 DDIDLN CC(C)N1CCN(C(=O)c2cc(S(C)(=O)=O)cs2)CC1 ZINC000159720696 186137136 /nfs/dbraw/zinc/13/71/36/186137136.db2.gz VWBPLKCCRWIXRV-UHFFFAOYSA-N 0 2 316.448 1.318 20 70 DDIDLN CCC(C)(C)NC(=O)[C@H](C)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161174412 408569771 /nfs/dbraw/zinc/56/97/71/408569771.db2.gz JQIZSZLFGBVMKF-JTQLQIEISA-N 0 2 301.412 1.028 20 70 DDIDLN CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)c1nc(=O)[nH][nH]1 ZINC000159492548 408412636 /nfs/dbraw/zinc/41/26/36/408412636.db2.gz LWCUNBRHQDPGIJ-ZDUSSCGKSA-N 0 2 302.378 1.890 20 70 DDIDLN CC(C)c1ccc(N2CC(=O)C(C(=O)NC3(CO)CC3)=N2)cc1 ZINC000160476956 408485707 /nfs/dbraw/zinc/48/57/07/408485707.db2.gz ALJWGMKRUWCWMX-UHFFFAOYSA-N 0 2 315.373 1.956 20 70 DDIDLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cccnc1 ZINC000160899190 408536061 /nfs/dbraw/zinc/53/60/61/408536061.db2.gz SMFQFHIVTYSSNC-UHFFFAOYSA-N 0 2 310.306 1.808 20 70 DDIDLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)NC2(CO)CC2)=N1 ZINC000160203218 290768233 /nfs/dbraw/zinc/76/82/33/290768233.db2.gz PDYOWCRSAXUIJI-UHFFFAOYSA-N 0 2 305.309 1.280 20 70 DDIDLN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc4n[nH]nc4c3)n2)o1 ZINC000160204831 408463414 /nfs/dbraw/zinc/46/34/14/408463414.db2.gz KOYKTKOCXRTKNL-UHFFFAOYSA-N 0 2 309.289 1.897 20 70 DDIDLN Cc1n[nH]c(NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c1C ZINC000160470561 408486951 /nfs/dbraw/zinc/48/69/51/408486951.db2.gz HGRVDTUUPVQCRG-UHFFFAOYSA-N 0 2 320.374 1.113 20 70 DDIDLN Cc1[nH]nc(NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c1C ZINC000160470561 408486956 /nfs/dbraw/zinc/48/69/56/408486956.db2.gz HGRVDTUUPVQCRG-UHFFFAOYSA-N 0 2 320.374 1.113 20 70 DDIDLN C[C@H](CS(C)(=O)=O)CS(=O)(=O)c1nc2ccccc2[nH]1 ZINC000160346238 408472058 /nfs/dbraw/zinc/47/20/58/408472058.db2.gz IKOPGCFZLCRODQ-SECBINFHSA-N 0 2 316.404 1.017 20 70 DDIDLN O=C(c1cccc2nc[nH]c21)N1CCC[C@@H]1CN1CCOCC1 ZINC000159724614 186137405 /nfs/dbraw/zinc/13/74/05/186137405.db2.gz ULOFBVWQVDQRHH-CYBMUJFWSA-N 0 2 314.389 1.500 20 70 DDIDLN Cn1nccc1NS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000159550858 290759415 /nfs/dbraw/zinc/75/94/15/290759415.db2.gz DXTFMXOISNTIJJ-UHFFFAOYSA-N 0 2 320.374 1.451 20 70 DDIDLN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2cn[nH]c2)c1C ZINC000159512668 408414259 /nfs/dbraw/zinc/41/42/59/408414259.db2.gz YJCOZGGFTVBOPO-UHFFFAOYSA-N 0 2 312.351 1.332 20 70 DDIDLN CN(Cc1nc(=O)c2sccc2[nH]1)c1cc(Cl)nc(N)n1 ZINC000160634283 408505921 /nfs/dbraw/zinc/50/59/21/408505921.db2.gz OLXKKGOURZRHHS-UHFFFAOYSA-N 0 2 322.781 1.647 20 70 DDIDLN O=C(CCCNC(=O)c1cccnc1)Nc1ccc2nn[nH]c2c1 ZINC000160087739 408454122 /nfs/dbraw/zinc/45/41/22/408454122.db2.gz SBTWHRYNUCGJJJ-UHFFFAOYSA-N 0 2 324.344 1.502 20 70 DDIDLN COc1ccc(C)cc1NC(=O)NCC1(CO)CCOCC1 ZINC000159715693 186137485 /nfs/dbraw/zinc/13/74/85/186137485.db2.gz AMBCSEUIXPYQOY-UHFFFAOYSA-N 0 2 308.378 1.914 20 70 DDIDLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccccn1 ZINC000160908130 290778405 /nfs/dbraw/zinc/77/84/05/290778405.db2.gz RASFFKKEBGGFRN-UHFFFAOYSA-N 0 2 310.306 1.808 20 70 DDIDLN CCc1ccccc1N1CC(=O)C(C(=O)N2CCC(O)CC2)=N1 ZINC000159926454 408442543 /nfs/dbraw/zinc/44/25/43/408442543.db2.gz VCCBIKRHUUATBD-UHFFFAOYSA-N 0 2 315.373 1.737 20 70 DDIDLN NC(=O)COc1ccc(NC(=O)NCC2(C3CC3)CC2)cc1 ZINC000159725497 186137433 /nfs/dbraw/zinc/13/74/33/186137433.db2.gz BAOHTNNYQQDXBO-UHFFFAOYSA-N 0 2 303.362 1.862 20 70 DDIDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)[C@H]1CCCCO1 ZINC000160572478 408497033 /nfs/dbraw/zinc/49/70/33/408497033.db2.gz JOVHMFHDTJNPJW-SNVBAGLBSA-N 0 2 307.375 1.512 20 70 DDIDLN Cc1ccc(N2C[C@@H](C(=O)NC[C@@H](O)C(C)C)CC2=O)cc1 ZINC000159720425 186137346 /nfs/dbraw/zinc/13/73/46/186137346.db2.gz KYDYUDMLQGDTJR-DZGCQCFKSA-N 0 2 304.390 1.481 20 70 DDIDLN O=S(=O)(Nc1ccccc1O[C@@H]1CCOC1)c1cn[nH]c1 ZINC000161027917 408551799 /nfs/dbraw/zinc/55/17/99/408551799.db2.gz ZUKNGJHQQKUONX-SNVBAGLBSA-N 0 2 309.347 1.378 20 70 DDIDLN CCCC1(CNC(=O)Cc2c(C)nc3cc[nH]n3c2=O)CC1 ZINC000160617224 408502390 /nfs/dbraw/zinc/50/23/90/408502390.db2.gz NSGHNKWXXOEECQ-UHFFFAOYSA-N 0 2 302.378 1.570 20 70 DDIDLN O=C(NS(=O)(=O)c1ccsc1)[C@@H]1CC1(Cl)Cl ZINC000159472232 408409962 /nfs/dbraw/zinc/40/99/62/408409962.db2.gz XGOCSXIDXOGGGM-LURJTMIESA-N 0 2 300.188 1.747 20 70 DDIDLN C[C@@H]1CCC[C@H](C(=O)Nc2nnc(NS(C)(=O)=O)s2)C1 ZINC000161412111 408600083 /nfs/dbraw/zinc/60/00/83/408600083.db2.gz ITZBXAVKCDOBLY-SFYZADRCSA-N 0 2 318.424 1.674 20 70 DDIDLN Cc1ccccc1NC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000159723439 186137385 /nfs/dbraw/zinc/13/73/85/186137385.db2.gz HSNYERYFSOMQLV-GFCCVEGCSA-N 0 2 311.407 1.398 20 70 DDIDLN CCc1nn(C)c(CC)c1S(=O)(=O)Nc1[nH]nc(C)c1C ZINC000159673592 539218992 /nfs/dbraw/zinc/21/89/92/539218992.db2.gz BXHWQFMQUUBFLV-UHFFFAOYSA-N 0 2 311.411 1.686 20 70 DDIDLN CCc1nn(C)c(CC)c1S(=O)(=O)Nc1c(C)n[nH]c1C ZINC000159714067 539219103 /nfs/dbraw/zinc/21/91/03/539219103.db2.gz UFDGPUBFPCZQRC-UHFFFAOYSA-N 0 2 311.411 1.686 20 70 DDIDLN CNC(=O)c1ccc(S(=O)(=O)Nc2cc(C(C)C)n[nH]2)cc1 ZINC000160657014 408506859 /nfs/dbraw/zinc/50/68/59/408506859.db2.gz UUTDMWKKAIJYAF-UHFFFAOYSA-N 0 2 322.390 1.694 20 70 DDIDLN CCn1ccnc(N(C)Cc2nc(=O)c3sccc3[nH]2)c1=O ZINC000160605628 408502040 /nfs/dbraw/zinc/50/20/40/408502040.db2.gz XXCGGZXEKNUWBU-UHFFFAOYSA-N 0 2 317.374 1.198 20 70 DDIDLN Cc1n[nH]c(NS(=O)(=O)c2cccc(C(=O)N(C)C)c2)c1C ZINC000160471634 408487431 /nfs/dbraw/zinc/48/74/31/408487431.db2.gz MWZOROFKRVQVRV-UHFFFAOYSA-N 0 2 322.390 1.529 20 70 DDIDLN Cc1[nH]nc(NS(=O)(=O)c2cccc(C(=O)N(C)C)c2)c1C ZINC000160471634 408487436 /nfs/dbraw/zinc/48/74/36/408487436.db2.gz MWZOROFKRVQVRV-UHFFFAOYSA-N 0 2 322.390 1.529 20 70 DDIDLN Cc1c(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)cnn1CCC(C)C ZINC000161356439 408592253 /nfs/dbraw/zinc/59/22/53/408592253.db2.gz FQFWQVBDXOBJER-CQSZACIVSA-N 0 2 323.441 1.690 20 70 DDIDLN C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161398151 539221736 /nfs/dbraw/zinc/22/17/36/539221736.db2.gz CHRMLRFNXIQNRP-IYBDPMFKSA-N 0 2 316.449 1.993 20 70 DDIDLN NC(=O)c1cnc(NS(=O)(=O)Cc2cccc(F)c2)s1 ZINC000160893153 290778157 /nfs/dbraw/zinc/77/81/57/290778157.db2.gz JWKKENSAUPOWJN-UHFFFAOYSA-N 0 2 315.351 1.323 20 70 DDIDLN CC(=O)Nc1cc(S(=O)(=O)Nc2nncs2)ccc1F ZINC000160570552 408496558 /nfs/dbraw/zinc/49/65/58/408496558.db2.gz FCTMRUPQEULTFX-UHFFFAOYSA-N 0 2 316.339 1.436 20 70 DDIDLN Cc1cccc(S(=O)(=O)NC[C@@H](C)CO)c1Br ZINC000159723534 186137487 /nfs/dbraw/zinc/13/74/87/186137487.db2.gz BBIAKZYVYAVJNX-MRVPVSSYSA-N 0 2 322.224 1.664 20 70 DDIDLN Cc1[nH]c2ccc(Cl)cc2c1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000160120372 290766957 /nfs/dbraw/zinc/76/69/57/290766957.db2.gz HAYQCEVIYVJHHF-UHFFFAOYSA-N 0 2 305.725 1.471 20 70 DDIDLN O=C(CSCCN1CCOCC1)NOCc1ccccc1 ZINC000159760007 197361432 /nfs/dbraw/zinc/36/14/32/197361432.db2.gz BLTQUDFNAKDDAI-UHFFFAOYSA-N 0 2 310.419 1.300 20 70 DDIDLN Cc1ccc(N2C[C@H](C(=O)NC[C@@H](O)C(C)C)CC2=O)cc1 ZINC000159720315 186137231 /nfs/dbraw/zinc/13/72/31/186137231.db2.gz KYDYUDMLQGDTJR-UKRRQHHQSA-N 0 2 304.390 1.481 20 70 DDIDLN COC(=O)c1c(C)cccc1S(=O)(=O)Nc1[nH]nc(C)c1C ZINC000160490397 354238996 /nfs/dbraw/zinc/23/89/96/354238996.db2.gz FRVGYOIXNUYTAA-UHFFFAOYSA-N 0 2 323.374 1.922 20 70 DDIDLN COc1cccc(C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000159370001 408402296 /nfs/dbraw/zinc/40/22/96/408402296.db2.gz YKSDEAIWTKGCHH-KRWDZBQOSA-N 0 2 317.433 1.609 20 70 DDIDLN NC(=O)COc1cccc(CNC(=O)CCCn2cccc2)c1 ZINC000159725176 186137409 /nfs/dbraw/zinc/13/74/09/186137409.db2.gz SXUWZUXUWLBOLD-UHFFFAOYSA-N 0 2 315.373 1.449 20 70 DDIDLN Cc1ccc(-c2[nH]nc(NC(=O)[C@@H]3C[N@@H+](C)CCO3)c2C)o1 ZINC000161484481 408607283 /nfs/dbraw/zinc/60/72/83/408607283.db2.gz KRVAYQOXEMJGLM-LBPRGKRZSA-N 0 2 304.350 1.556 20 70 DDIDLN Cc1ccc(-c2[nH]nc(NC(=O)[C@H]3C[N@@H+](C)CCO3)c2C)o1 ZINC000161484603 408607831 /nfs/dbraw/zinc/60/78/31/408607831.db2.gz KRVAYQOXEMJGLM-GFCCVEGCSA-N 0 2 304.350 1.556 20 70 DDIDLN CC[C@H](CC(=O)NCc1n[nH]c(=O)[nH]1)c1ccc(OC)cc1 ZINC000160124345 290767317 /nfs/dbraw/zinc/76/73/17/290767317.db2.gz RKZMJUHPAWTLFR-SNVBAGLBSA-N 0 2 304.350 1.307 20 70 DDIDLN COCCCNC(=O)[C@@H](C)ONC(=O)C(C)(C)c1ccccc1 ZINC000160827188 408526578 /nfs/dbraw/zinc/52/65/78/408526578.db2.gz RUFKDIHQEBWCPQ-CYBMUJFWSA-N 0 2 322.405 1.553 20 70 DDIDLN COc1ccc(N2CC(=O)C(C(=O)N[C@H]3CCC[C@@H]3O)=N2)cc1 ZINC000160899379 408537764 /nfs/dbraw/zinc/53/77/64/408537764.db2.gz YWOLSRDRPKLCMU-STQMWFEESA-N 0 2 317.345 1.230 20 70 DDIDLN Cc1c(NC(=O)NC[C@H]2C[N@H+](C)CCO2)cnn1CCC(C)C ZINC000161356567 408593285 /nfs/dbraw/zinc/59/32/85/408593285.db2.gz FQFWQVBDXOBJER-AWEZNQCLSA-N 0 2 323.441 1.690 20 70 DDIDLN C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161398399 539221713 /nfs/dbraw/zinc/22/17/13/539221713.db2.gz CHRMLRFNXIQNRP-HZPDHXFCSA-N 0 2 316.449 1.993 20 70 DDIDLN C[C@@H](CS(C)(=O)=O)CS(=O)(=O)c1nc2ccccc2[nH]1 ZINC000160346102 290770932 /nfs/dbraw/zinc/77/09/32/290770932.db2.gz IKOPGCFZLCRODQ-VIFPVBQESA-N 0 2 316.404 1.017 20 70 DDIDLN Cc1n[nH]cc1S(=O)(=O)Nc1ccccc1O[C@H]1CCOC1 ZINC000161040376 408551749 /nfs/dbraw/zinc/55/17/49/408551749.db2.gz VNINUFFFDPIRIH-NSHDSACASA-N 0 2 323.374 1.687 20 70 DDIDLN COC(=O)C(C)(C)CNC(=O)c1ncn(-c2ccccc2)n1 ZINC000159725246 186137333 /nfs/dbraw/zinc/13/73/33/186137333.db2.gz CPXZDUAEZQPLFH-UHFFFAOYSA-N 0 2 302.334 1.196 20 70 DDIDLN CCC(C)(C)NC(=O)[C@@H](C)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161174293 408568942 /nfs/dbraw/zinc/56/89/42/408568942.db2.gz JQIZSZLFGBVMKF-SNVBAGLBSA-N 0 2 301.412 1.028 20 70 DDIDLN CC(=O)Nc1cc(S(=O)(=O)Nc2nncs2)ccc1C ZINC000160557444 408497582 /nfs/dbraw/zinc/49/75/82/408497582.db2.gz MWLRMIUIAPQHJX-UHFFFAOYSA-N 0 2 312.376 1.606 20 70 DDIDLN Cc1cccc2c(=O)c(C(=O)N(C)CC(=O)N(C)C)c[nH]c12 ZINC000161502011 408610225 /nfs/dbraw/zinc/61/02/25/408610225.db2.gz LVEVSOMFONMKQB-UHFFFAOYSA-N 0 2 301.346 1.409 20 70 DDIDLN O=C(NCc1n[nH]c(=O)[nH]1)c1occc1-c1ccc(F)cc1 ZINC000160122878 290767185 /nfs/dbraw/zinc/76/71/85/290767185.db2.gz ZQAVESZAMZGRRC-UHFFFAOYSA-N 0 2 302.265 1.427 20 70 DDIDLN CCc1nnc(NS(=O)(=O)c2sccc2OC)s1 ZINC000159768944 197362346 /nfs/dbraw/zinc/36/23/46/197362346.db2.gz IZEHHVHXCAVBIH-UHFFFAOYSA-N 0 2 305.406 1.971 20 70 DDIDLN CCC[C@H](C)NC(=O)[C@H](C)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161174165 408567693 /nfs/dbraw/zinc/56/76/93/408567693.db2.gz RWJSMISVIYQEEK-QWRGUYRKSA-N 0 2 301.412 1.028 20 70 DDIDLN C[C@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161398273 539221575 /nfs/dbraw/zinc/22/15/75/539221575.db2.gz CHRMLRFNXIQNRP-HOTGVXAUSA-N 0 2 316.449 1.993 20 70 DDIDLN CC(C)c1ccccc1OCCC(=O)NCc1n[nH]c(=O)[nH]1 ZINC000160121678 408458072 /nfs/dbraw/zinc/45/80/72/408458072.db2.gz BMHKBNCLJLADQA-UHFFFAOYSA-N 0 2 304.350 1.307 20 70 DDIDLN O=C(Cc1csc2ccc(Cl)cc12)NCc1n[nH]c(=O)[nH]1 ZINC000160124895 408457557 /nfs/dbraw/zinc/45/75/57/408457557.db2.gz XTYUFZJMKJAKCE-UHFFFAOYSA-N 0 2 322.777 1.825 20 70 DDIDLN Cc1cc(C[C@H](C)NC(=O)C[N@@H+](C)Cc2ccccc2)n[nH]1 ZINC000161412314 408599718 /nfs/dbraw/zinc/59/97/18/408599718.db2.gz OIEJVGLJYNCPQU-ZDUSSCGKSA-N 0 2 300.406 1.897 20 70 DDIDLN C/C=C(\C=C\C(=O)Nc1nnc(NS(C)(=O)=O)s1)CC ZINC000160244712 197394921 /nfs/dbraw/zinc/39/49/21/197394921.db2.gz UGJBGDBTWIPQIZ-SDMAFULYSA-N 0 2 316.408 1.761 20 70 DDIDLN Cc1cccc(NC(=O)NC[C@H]2CCCN2S(C)(=O)=O)c1 ZINC000159719658 186137477 /nfs/dbraw/zinc/13/74/77/186137477.db2.gz GLXFDUMJNDXNNF-CYBMUJFWSA-N 0 2 311.407 1.541 20 70 DDIDLN CC[C@H](O)CCNC(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000160873695 408535287 /nfs/dbraw/zinc/53/52/87/408535287.db2.gz VSTNUUMPXBXEGH-LBPRGKRZSA-N 0 2 307.325 1.608 20 70 DDIDLN Cn1cc(S(=O)(=O)Nc2ccccc2O[C@H]2CCOC2)cn1 ZINC000161021555 408551873 /nfs/dbraw/zinc/55/18/73/408551873.db2.gz NSVGMQQBJDDATF-NSHDSACASA-N 0 2 323.374 1.389 20 70 DDIDLN O=C(NCc1n[nH]c(=O)[nH]1)c1ccc(CCC(F)(F)F)cc1 ZINC000160119118 408458054 /nfs/dbraw/zinc/45/80/54/408458054.db2.gz NXLOBQTVZKQCMB-UHFFFAOYSA-N 0 2 314.267 1.523 20 70 DDIDLN O=C1CCCN1c1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000160587077 408500692 /nfs/dbraw/zinc/50/06/92/408500692.db2.gz ZULSJGWXNDGFNJ-UHFFFAOYSA-N 0 2 324.387 1.466 20 70 DDIDLN CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](C)CO)cc1Cl ZINC000159724098 186137362 /nfs/dbraw/zinc/13/73/62/186137362.db2.gz WRSMYTREFPQZBZ-QMMMGPOBSA-N 0 2 320.798 1.205 20 70 DDIDLN CCc1ccccc1N1CC(=O)C(C(=O)NC[C@H](C)CO)=N1 ZINC000159618870 290760121 /nfs/dbraw/zinc/76/01/21/290760121.db2.gz ANSAYUXRCUWKQN-NSHDSACASA-N 0 2 303.362 1.499 20 70 DDIDLN O=C(NCC1(c2c(F)cccc2F)CCCC1)c1nc(=O)[nH][nH]1 ZINC000160339918 408473554 /nfs/dbraw/zinc/47/35/54/408473554.db2.gz PXAUUGMBIBQBEH-UHFFFAOYSA-N 0 2 322.315 1.618 20 70 DDIDLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1cnoc1 ZINC000218022799 484146957 /nfs/dbraw/zinc/14/69/57/484146957.db2.gz JARWIWRBSPONFU-UHFFFAOYSA-N 0 2 300.267 1.401 20 70 DDIDLN CC(=O)N1CCc2ccc(S(=O)(=O)Nc3nncs3)cc21 ZINC000160585225 197423751 /nfs/dbraw/zinc/42/37/51/197423751.db2.gz PWFYNEOXRNRPCJ-UHFFFAOYSA-N 0 2 324.387 1.248 20 70 DDIDLN CCC[C@@H](C)NC(=O)[C@@H](C)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161173837 408568705 /nfs/dbraw/zinc/56/87/05/408568705.db2.gz RWJSMISVIYQEEK-GHMZBOCLSA-N 0 2 301.412 1.028 20 70 DDIDLN CS(=O)(=O)CCCCS(=O)(=O)c1nc2ccccc2[nH]1 ZINC000160308668 539219685 /nfs/dbraw/zinc/21/96/85/539219685.db2.gz FYDNSDASCUEERX-UHFFFAOYSA-N 0 2 316.404 1.161 20 70 DDIDLN CC(C)OCCS(=O)(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160271296 197396360 /nfs/dbraw/zinc/39/63/60/197396360.db2.gz NIOJXQLSFRYMMA-UHFFFAOYSA-N 0 2 315.317 1.612 20 70 DDIDLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)NN2CCOCC2)=N1 ZINC000160563969 408496576 /nfs/dbraw/zinc/49/65/76/408496576.db2.gz FRXJBIIEMKOFIJ-UHFFFAOYSA-N 0 2 320.324 1.002 20 70 DDIDLN O=S(=O)(Nc1ccccc1O[C@H]1CCOC1)c1cn[nH]c1 ZINC000161027996 408551392 /nfs/dbraw/zinc/55/13/92/408551392.db2.gz ZUKNGJHQQKUONX-JTQLQIEISA-N 0 2 309.347 1.378 20 70 DDIDLN Cc1ccc(N2C[C@@H](C(=O)NC[C@H](O)C(C)C)CC2=O)cc1 ZINC000159720209 186137396 /nfs/dbraw/zinc/13/73/96/186137396.db2.gz KYDYUDMLQGDTJR-ZFWWWQNUSA-N 0 2 304.390 1.481 20 70 DDIDLN C[C@@H]1CCC[C@@H](C(=O)Nc2nnc(NS(C)(=O)=O)s2)C1 ZINC000161412378 408599111 /nfs/dbraw/zinc/59/91/11/408599111.db2.gz ITZBXAVKCDOBLY-HTQZYQBOSA-N 0 2 318.424 1.674 20 70 DDIDLN CC[C@@H](O)CCNC(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000160873822 408535557 /nfs/dbraw/zinc/53/55/57/408535557.db2.gz VSTNUUMPXBXEGH-GFCCVEGCSA-N 0 2 307.325 1.608 20 70 DDIDLN CC(=O)N(C)c1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000160557972 290773685 /nfs/dbraw/zinc/77/36/85/290773685.db2.gz HXUFHKHERARNFJ-UHFFFAOYSA-N 0 2 312.376 1.322 20 70 DDIDLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccncc1 ZINC000160901427 408536516 /nfs/dbraw/zinc/53/65/16/408536516.db2.gz JELIBJAJACWZCA-UHFFFAOYSA-N 0 2 310.306 1.808 20 70 DDIDLN Cc1noc(C)c1S(=O)(=O)Nc1nnc(C(F)F)s1 ZINC000160483990 408487485 /nfs/dbraw/zinc/48/74/85/408487485.db2.gz RUMRMFYQEXBSPS-UHFFFAOYSA-N 0 2 310.307 1.881 20 70 DDIDLN Cc1cc(C[C@@H](C)NC(=O)C[N@@H+](C)Cc2ccccc2)n[nH]1 ZINC000161412189 408599154 /nfs/dbraw/zinc/59/91/54/408599154.db2.gz OIEJVGLJYNCPQU-CYBMUJFWSA-N 0 2 300.406 1.897 20 70 DDIDLN COCCS(=O)(=O)Nc1cc(CC2CCCCC2)[nH]n1 ZINC000159861623 408442124 /nfs/dbraw/zinc/44/21/24/408442124.db2.gz JWJBAJUONLBOQP-UHFFFAOYSA-N 0 2 301.412 1.921 20 70 DDIDLN Cc1cc(Oc2ccc(NC(=O)c3nc(=O)[nH][nH]3)cc2)n[nH]1 ZINC000160445021 290771921 /nfs/dbraw/zinc/77/19/21/290771921.db2.gz SGYRKNVOKFJIMX-UHFFFAOYSA-N 0 2 300.278 1.174 20 70 DDIDLN O=C(CN1CCCC1=O)NOCc1ccc(C(F)(F)F)cc1 ZINC000160621146 408506269 /nfs/dbraw/zinc/50/62/69/408506269.db2.gz QZKSQMCCUBRJAN-UHFFFAOYSA-N 0 2 316.279 1.876 20 70 DDIDLN O=C(c1c(O)cc(F)cc1F)N1CCC(Cn2ccnn2)CC1 ZINC000159543867 539218867 /nfs/dbraw/zinc/21/88/67/539218867.db2.gz LHULEWCMKKQABF-UHFFFAOYSA-N 0 2 322.315 1.814 20 70 DDIDLN CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](C)CO)cc1Cl ZINC000159724244 186137302 /nfs/dbraw/zinc/13/73/02/186137302.db2.gz WRSMYTREFPQZBZ-MRVPVSSYSA-N 0 2 320.798 1.205 20 70 DDIDLN Cc1n[nH]c(NS(=O)(=O)c2cccc3c2OCCO3)c1C ZINC000160501029 408489459 /nfs/dbraw/zinc/48/94/59/408489459.db2.gz KZNADAYHIRMWQD-UHFFFAOYSA-N 0 2 309.347 1.599 20 70 DDIDLN CCc1nn(C)c(CC)c1S(=O)(=O)Nc1nncs1 ZINC000159699897 539219051 /nfs/dbraw/zinc/21/90/51/539219051.db2.gz IWVIYSGGJAODOE-UHFFFAOYSA-N 0 2 301.397 1.197 20 70 DDIDLN CCOC(=O)C[C@@H](C)NC(=O)C1=NN(c2ccccc2)CC1=O ZINC000160882630 408533902 /nfs/dbraw/zinc/53/39/02/408533902.db2.gz FGULAUCXYQNFIP-LLVKDONJSA-N 0 2 317.345 1.649 20 70 DDIDLN Cc1ccc(C(C)C)c(OCCC(=O)NCc2n[nH]c(=O)[nH]2)c1 ZINC000160121410 290767312 /nfs/dbraw/zinc/76/73/12/290767312.db2.gz VOOCFFZSQGVKIR-UHFFFAOYSA-N 0 2 318.377 1.615 20 70 DDIDLN CCc1c(NS(=O)(=O)c2cnn(C)c2)cnn1CC(C)C ZINC000160355154 539219960 /nfs/dbraw/zinc/21/99/60/539219960.db2.gz PLKAISOVDVXIHV-UHFFFAOYSA-N 0 2 311.411 1.636 20 70 DDIDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)[C@@H]1CCCCO1 ZINC000160572351 408496929 /nfs/dbraw/zinc/49/69/29/408496929.db2.gz JOVHMFHDTJNPJW-JTQLQIEISA-N 0 2 307.375 1.512 20 70 DDIDLN CCOC(=O)C[C@H](C)NC(=O)C1=NN(c2ccccc2)CC1=O ZINC000160882734 408533975 /nfs/dbraw/zinc/53/39/75/408533975.db2.gz FGULAUCXYQNFIP-NSHDSACASA-N 0 2 317.345 1.649 20 70 DDIDLN CCc1ccccc1N1CC(=O)C(C(=O)NC[C@@H](C)CO)=N1 ZINC000159618741 408421265 /nfs/dbraw/zinc/42/12/65/408421265.db2.gz ANSAYUXRCUWKQN-LLVKDONJSA-N 0 2 303.362 1.499 20 70 DDIDLN CNS(=O)(=O)c1cccc(NC(=O)C(C)(C)COC)c1C ZINC000159716674 186137205 /nfs/dbraw/zinc/13/72/05/186137205.db2.gz ADDPVAUXWBKMTQ-UHFFFAOYSA-N 0 2 314.407 1.514 20 70 DDIDLN COC(=O)c1cc(S(=O)(=O)Nc2[nH]nc(C)c2C)ccc1C ZINC000160490102 408488855 /nfs/dbraw/zinc/48/88/55/408488855.db2.gz XNCMFZOGASULRH-UHFFFAOYSA-N 0 2 323.374 1.922 20 70 DDIDLN COC(=O)c1cc(S(=O)(=O)Nc2n[nH]c(C)c2C)ccc1C ZINC000160490102 408488861 /nfs/dbraw/zinc/48/88/61/408488861.db2.gz XNCMFZOGASULRH-UHFFFAOYSA-N 0 2 323.374 1.922 20 70 DDIDLN CC(C)OCCNC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000159651741 186132868 /nfs/dbraw/zinc/13/28/68/186132868.db2.gz ZZBINEHYRPBXED-UHFFFAOYSA-N 0 2 324.406 1.551 20 70 DDIDLN CC(=O)N1CCc2cc(S(=O)(=O)Nc3nncs3)ccc21 ZINC000160562480 408497315 /nfs/dbraw/zinc/49/73/15/408497315.db2.gz YBMFCRYWSZUAOB-UHFFFAOYSA-N 0 2 324.387 1.248 20 70 DDIDLN COCCCNC(=O)[C@H](C)ONC(=O)C(C)(C)c1ccccc1 ZINC000160827047 408527758 /nfs/dbraw/zinc/52/77/58/408527758.db2.gz RUFKDIHQEBWCPQ-ZDUSSCGKSA-N 0 2 322.405 1.553 20 70 DDIDLN COCc1cc(C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)no1 ZINC000160192223 408462455 /nfs/dbraw/zinc/46/24/55/408462455.db2.gz GWQVDKNZYONLRK-UHFFFAOYSA-N 0 2 303.278 1.760 20 70 DDIDLN