smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(CN(C)Cc2sc(C)nc2C)cc1C ZINC000160504379 261216150 /nfs/dbraw/zinc/21/61/50/261216150.db2.gz VTKWZLCYXXTKNS-UHFFFAOYSA-N 0 1 290.432 3.709 20 70 CHIDMN CC(C)N(Cc1noc(-c2ccsc2)n1)C1CCCC1 ZINC000160818804 261226926 /nfs/dbraw/zinc/22/69/26/261226926.db2.gz RUTJZGXYNPJADB-UHFFFAOYSA-N 0 1 291.420 3.951 20 70 CHIDMN CN(Cc1cccc2c[nH]nc21)Cc1ccccc1Cl ZINC000160818539 328087654 /nfs/dbraw/zinc/08/76/54/328087654.db2.gz VAQMVZBTAYXZOE-UHFFFAOYSA-N 0 1 285.778 3.848 20 70 CHIDMN CCC[C@@H](C(=O)NC[C@@H](c1cccs1)N(C)C)C(C)C ZINC000161274448 329922764 /nfs/dbraw/zinc/92/27/64/329922764.db2.gz UGUNKBYMHWYUMY-KGLIPLIRSA-N 0 1 296.480 3.539 20 70 CHIDMN C[C@@H]1CCC[C@H](CNC(=O)c2ccc(O)c(Cl)c2)C1 ZINC000218010893 333125878 /nfs/dbraw/zinc/12/58/78/333125878.db2.gz BNVAXEXPZAXCIQ-MNOVXSKESA-N 0 1 281.783 3.602 20 70 CHIDMN CCOc1ccccc1[C@@H](C)N[C@H](CCO)c1ccccc1 ZINC000161076307 521572620 /nfs/dbraw/zinc/57/26/20/521572620.db2.gz HRHJPELTZSPGKY-CRAIPNDOSA-N 0 1 299.414 3.860 20 70 CHIDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cccs3)c2C)o1 ZINC000161504114 261062828 /nfs/dbraw/zinc/06/28/28/261062828.db2.gz QSUSZRZOIJKGBZ-UHFFFAOYSA-N 0 1 287.344 3.600 20 70 CHIDMN Cc1ccccc1[C@@H](C)NCc1cn(C)nc1C(F)(F)F ZINC000159784650 261194032 /nfs/dbraw/zinc/19/40/32/261194032.db2.gz CMCRTUSOYUECSS-LLVKDONJSA-N 0 1 297.324 3.598 20 70 CHIDMN Cc1ccc(CN[C@@H]2CC(C)(C)Cc3occc32)cn1 ZINC000161281798 261242986 /nfs/dbraw/zinc/24/29/86/261242986.db2.gz JGZAPSIRKVKFOP-OAHLLOKOSA-N 0 1 270.376 3.786 20 70 CHIDMN CC1(C)C[C@@H](Nc2ccnc3cc(F)ccc32)CCO1 ZINC000160696843 264256150 /nfs/dbraw/zinc/25/61/50/264256150.db2.gz KPSFPDZWXMAUBW-LBPRGKRZSA-N 0 1 274.339 3.743 20 70 CHIDMN COCc1ccccc1CNCc1ccc(Cl)cc1F ZINC000160769292 523103266 /nfs/dbraw/zinc/10/32/66/523103266.db2.gz SAWDJJIEJIYPDN-UHFFFAOYSA-N 0 1 293.769 3.915 20 70 CHIDMN C[C@H]1CCN(Cc2cnc3ccccn23)[C@H](c2ccco2)C1 ZINC000160906148 524296815 /nfs/dbraw/zinc/29/68/15/524296815.db2.gz PODAFVGEIJHLLY-HOCLYGCPSA-N 0 1 295.386 3.901 20 70 CHIDMN Cc1nc2ccc(NC(=O)c3cccc(C)c3F)cc2[nH]1 ZINC000161427718 527129056 /nfs/dbraw/zinc/12/90/56/527129056.db2.gz IQXCOMHXGBXOMK-UHFFFAOYSA-N 0 1 283.306 3.571 20 70 CHIDMN Cc1ccc(-c2n[nH]c(NC(=O)C[C@@H](C)C(C)C)c2C)o1 ZINC000161451009 260973988 /nfs/dbraw/zinc/97/39/88/260973988.db2.gz REPKXNOZGRJOKF-SNVBAGLBSA-N 0 1 289.379 3.907 20 70 CHIDMN Cc1ccc(-c2n[nH]c(NC(=O)C[C@@H]3C=CCC3)c2C)o1 ZINC000161357208 261245521 /nfs/dbraw/zinc/24/55/21/261245521.db2.gz MFQVZCJJBOVYEY-GFCCVEGCSA-N 0 1 285.347 3.581 20 70 CHIDMN Cc1ccc(CN(C)Cc2c[nH]nc2-c2ccccc2F)o1 ZINC000160859488 328089368 /nfs/dbraw/zinc/08/93/68/328089368.db2.gz NDENBSIGGSJMFP-UHFFFAOYSA-N 0 1 299.349 3.749 20 70 CHIDMN COc1cccc2c1CC[C@@H]2N[C@H](C)c1ccco1 ZINC000160198570 327528916 /nfs/dbraw/zinc/52/89/16/327528916.db2.gz YYCKJVZKVVZJQN-RISCZKNCSA-N 0 1 257.333 3.626 20 70 CHIDMN CCC[C@H](C(=O)NC[C@@H](c1cccs1)N(C)C)C(C)C ZINC000161274342 329922735 /nfs/dbraw/zinc/92/27/35/329922735.db2.gz UGUNKBYMHWYUMY-KBPBESRZSA-N 0 1 296.480 3.539 20 70 CHIDMN Cc1c(CN[C@H](C)c2ccccc2C(F)(F)F)cnn1C ZINC000160862993 260137568 /nfs/dbraw/zinc/13/75/68/260137568.db2.gz TUHWTWNFQQFKPH-SNVBAGLBSA-N 0 1 297.324 3.598 20 70 CHIDMN CC(C)c1nnc(-c2ccccc2NC(=O)[C@@H]2CC2(C)C)[nH]1 ZINC000160442625 261214539 /nfs/dbraw/zinc/21/45/39/261214539.db2.gz HCVHSJXCUBCIMX-LBPRGKRZSA-N 0 1 298.390 3.580 20 70 CHIDMN C[C@H](NCc1ccc(N2CCC(C)CC2)nc1)c1ccco1 ZINC000160504776 261216309 /nfs/dbraw/zinc/21/63/09/261216309.db2.gz AZJXWNXVLFLDGI-HNNXBMFYSA-N 0 1 299.418 3.762 20 70 CHIDMN Cc1ccc2c(c1)OCCC[C@H]2NCc1ccc(C)nc1 ZINC000161275908 261241800 /nfs/dbraw/zinc/24/18/00/261241800.db2.gz YFZSESATOLRXHL-QGZVFWFLSA-N 0 1 282.387 3.702 20 70 CHIDMN Cc1ccc(-c2n[nH]cc2CN(C)Cc2ccc(F)cc2)o1 ZINC000161142939 328136673 /nfs/dbraw/zinc/13/66/73/328136673.db2.gz RVUJFDBDGXPZON-UHFFFAOYSA-N 0 1 299.349 3.749 20 70 CHIDMN C[C@H]1CCC[C@H](CNC(=O)c2ccc(O)c(Cl)c2)C1 ZINC000218010983 333125820 /nfs/dbraw/zinc/12/58/20/333125820.db2.gz BNVAXEXPZAXCIQ-QWRGUYRKSA-N 0 1 281.783 3.602 20 70 CHIDMN Cc1ccc(-c2nnc([C@H](C)N3CCCC3)o2)cc1C ZINC000160467620 525860944 /nfs/dbraw/zinc/86/09/44/525860944.db2.gz PJKZOVBTENVLKU-ZDUSSCGKSA-N 0 1 271.364 3.510 20 70 CHIDMN COc1ccc(OC)c([C@@H](C)N[C@@H](C)CC(F)(F)F)c1 ZINC000160008274 260941214 /nfs/dbraw/zinc/94/12/14/260941214.db2.gz YMCRMXSFNRBAKD-VHSXEESVSA-N 0 1 291.313 3.695 20 70 CHIDMN Cc1ccc([C@@H](C)N[C@H](CCCO)c2ccccc2)o1 ZINC000160889409 261230238 /nfs/dbraw/zinc/23/02/38/261230238.db2.gz IWVZBUCEYSQXGX-GDBMZVCRSA-N 0 1 273.376 3.752 20 70 CHIDMN Cc1ccc(CN[C@@H]2CSCCc3ccccc32)cn1 ZINC000161313009 261242991 /nfs/dbraw/zinc/24/29/91/261242991.db2.gz XSZABYWKALXPIA-QGZVFWFLSA-N 0 1 284.428 3.510 20 70 CHIDMN Cc1cccc2nc(CN[C@@H]3CCc4cc(F)ccc43)cn21 ZINC000160289404 261275257 /nfs/dbraw/zinc/27/52/57/261275257.db2.gz OFXPOHDWOZNQIQ-QGZVFWFLSA-N 0 1 295.361 3.559 20 70 CHIDMN Cc1ccc(CN(C)Cc2c[nH]nc2-c2ccc(F)cc2)o1 ZINC000160862094 328090484 /nfs/dbraw/zinc/09/04/84/328090484.db2.gz JQXGMISVUQMXKB-UHFFFAOYSA-N 0 1 299.349 3.749 20 70 CHIDMN CN(Cc1cnn(C)c1)C1c2ccccc2-c2ccccc21 ZINC000161057647 328123942 /nfs/dbraw/zinc/12/39/42/328123942.db2.gz VXIHUBYADCKASZ-UHFFFAOYSA-N 0 1 289.382 3.622 20 70 CHIDMN CCSCCN(C)[C@H](C)c1cc(F)ccc1F ZINC000159364518 327174684 /nfs/dbraw/zinc/17/46/84/327174684.db2.gz NFZVVBRUJRCGJF-SNVBAGLBSA-N 0 1 259.365 3.711 20 70 CHIDMN C[C@H]1CCC[C@@H](CNC(=O)c2ccc(O)c(Cl)c2)C1 ZINC000218010809 333125859 /nfs/dbraw/zinc/12/58/59/333125859.db2.gz BNVAXEXPZAXCIQ-WDEREUQCSA-N 0 1 281.783 3.602 20 70 CHIDMN CCN(CC)[C@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 ZINC000160570225 520858364 /nfs/dbraw/zinc/85/83/64/520858364.db2.gz YBDMFERHPZTUSL-CYBMUJFWSA-N 0 1 273.380 3.756 20 70 CHIDMN Cc1ccc(C(=O)CCN(C)[C@@H](C)c2ccncc2)cc1 ZINC000161186584 526042750 /nfs/dbraw/zinc/04/27/50/526042750.db2.gz NWXNNDZJJNBUSD-HNNXBMFYSA-N 0 1 282.387 3.656 20 70 CHIDMN Clc1ncccc1CN[C@H]1CCCc2sccc21 ZINC000160974517 261232597 /nfs/dbraw/zinc/23/25/97/261232597.db2.gz FOZDLQLSUAIEHH-LBPRGKRZSA-N 0 1 278.808 3.964 20 70 CHIDMN CC(C)OCCCN[C@@H](c1nccs1)c1ccccc1 ZINC000159825915 261195137 /nfs/dbraw/zinc/19/51/37/261195137.db2.gz NSPCLKSFBUZMAL-OAHLLOKOSA-N 0 1 290.432 3.637 20 70 CHIDMN Cc1nn(C)cc1CNC1(c2ccc(Cl)cc2)CCC1 ZINC000161406766 327678988 /nfs/dbraw/zinc/67/89/88/327678988.db2.gz PZWLXAVYQAGNRZ-UHFFFAOYSA-N 0 1 289.810 3.551 20 70 CHIDMN CCn1nc(C)c(CN(C)Cc2ccc(Cl)cc2)c1C ZINC000160808620 328087104 /nfs/dbraw/zinc/08/71/04/328087104.db2.gz ASDQEJHNLJKJKK-UHFFFAOYSA-N 0 1 291.826 3.805 20 70 CHIDMN COc1ccccc1/C=C/CN(C)Cc1ccc(C)o1 ZINC000160860826 328089477 /nfs/dbraw/zinc/08/94/77/328089477.db2.gz FDOOUOZTGAIVTK-SOFGYWHQSA-N 0 1 271.360 3.742 20 70 CHIDMN C[C@H](NCc1cn2ccccc2n1)c1cc2c(s1)CCC2 ZINC000159422766 327186210 /nfs/dbraw/zinc/18/62/10/327186210.db2.gz ZKDOGCHALRULMG-LBPRGKRZSA-N 0 1 297.427 3.735 20 70 CHIDMN COCc1ccc(CN[C@@H]2CCCc3sccc32)o1 ZINC000160985995 522994340 /nfs/dbraw/zinc/99/43/40/522994340.db2.gz PLYUOTUDJXXPNS-CQSZACIVSA-N 0 1 277.389 3.655 20 70 CHIDMN CCc1ccc([C@H](CO)NCc2cccc(Cl)c2)cc1 ZINC000160811425 328086983 /nfs/dbraw/zinc/08/69/83/328086983.db2.gz QSNCXSZTBFFFHN-KRWDZBQOSA-N 0 1 289.806 3.726 20 70 CHIDMN C[C@@H]1CN(Cc2cnc3ccccn23)[C@@H]1c1ccccc1 ZINC000160875487 328091067 /nfs/dbraw/zinc/09/10/67/328091067.db2.gz DBXUZARVDGOOLW-KDOFPFPSSA-N 0 1 277.371 3.527 20 70 CHIDMN Cc1ccc(-c2nnc([C@@H](C)N(C)CC3CC3)o2)cc1C ZINC000160911146 328093987 /nfs/dbraw/zinc/09/39/87/328093987.db2.gz KWWQNEBKJXQUEF-CYBMUJFWSA-N 0 1 285.391 3.756 20 70 CHIDMN C[C@H](NCCSc1ccc(Cl)cc1)c1cnccn1 ZINC000160063249 261203542 /nfs/dbraw/zinc/20/35/42/261203542.db2.gz BINZYSMIZAEEMS-NSHDSACASA-N 0 1 293.823 3.573 20 70 CHIDMN CCCOc1cccc(CN[C@H](C)c2cnn(CC)c2)c1 ZINC000160476978 261215260 /nfs/dbraw/zinc/21/52/60/261215260.db2.gz BRLKOLIHAYNXEQ-CQSZACIVSA-N 0 1 287.407 3.543 20 70 CHIDMN Cc1ccc([C@H](C)N[C@H](CCCO)c2ccccc2)o1 ZINC000160889539 261230409 /nfs/dbraw/zinc/23/04/09/261230409.db2.gz IWVZBUCEYSQXGX-GOEBONIOSA-N 0 1 273.376 3.752 20 70 CHIDMN Cc1nc2ccccn2c1CN1C[C@H](C)[C@@H]1c1ccccc1 ZINC000160875820 328090982 /nfs/dbraw/zinc/09/09/82/328090982.db2.gz RGEGFOKMHLXBIJ-IFXJQAMLSA-N 0 1 291.398 3.836 20 70 CHIDMN CCOc1ccccc1[C@H](C)N[C@H](CCO)c1ccccc1 ZINC000161076446 521585417 /nfs/dbraw/zinc/58/54/17/521585417.db2.gz HRHJPELTZSPGKY-MAUKXSAKSA-N 0 1 299.414 3.860 20 70 CHIDMN CCc1nnc(CN[C@@H](c2cccs2)C(CC)CC)[nH]1 ZINC000160378164 522349118 /nfs/dbraw/zinc/34/91/18/522349118.db2.gz IDTRFLYZWRXUJQ-OAHLLOKOSA-N 0 1 292.452 3.696 20 70 CHIDMN Brc1cc2cccnc2c(CN2CCCC2)c1 ZINC000161078729 261235998 /nfs/dbraw/zinc/23/59/98/261235998.db2.gz LLSFVTPQTYRKBC-UHFFFAOYSA-N 0 1 291.192 3.593 20 70 CHIDMN Fc1ccc2c(c1)nccc2N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000160444046 264244058 /nfs/dbraw/zinc/24/40/58/264244058.db2.gz MJOJVVLFYYIRII-SUMWQHHRSA-N 0 1 286.350 3.743 20 70 CHIDMN Cc1ccc(CN(C)Cc2c[nH]nc2-c2cccc(C)c2)o1 ZINC000160858161 328089280 /nfs/dbraw/zinc/08/92/80/328089280.db2.gz SOYQYYGEZBVVEU-UHFFFAOYSA-N 0 1 295.386 3.919 20 70 CHIDMN COc1cccc2c1CC[C@@H]2N[C@@H](C)c1ccco1 ZINC000160198433 327528923 /nfs/dbraw/zinc/52/89/23/327528923.db2.gz YYCKJVZKVVZJQN-FZMZJTMJSA-N 0 1 257.333 3.626 20 70 CHIDMN CC[C@H]1CCCN(Cc2csc(C3CC3)n2)C1 ZINC000161400514 523092712 /nfs/dbraw/zinc/09/27/12/523092712.db2.gz WEYWKNGWALNBHW-NSHDSACASA-N 0 1 250.411 3.643 20 70 CHIDMN CC[C@H](C)[C@H](C)N(C(=O)c1cccc2[nH]cnc21)C1CC1 ZINC000159421692 261186376 /nfs/dbraw/zinc/18/63/76/261186376.db2.gz RYJXPVSMFOLFOZ-RYUDHWBXSA-N 0 1 285.391 3.602 20 70 CHIDMN C[C@@H](NCCSc1ccc(Cl)cc1)c1cnccn1 ZINC000160063393 261203779 /nfs/dbraw/zinc/20/37/79/261203779.db2.gz BINZYSMIZAEEMS-LLVKDONJSA-N 0 1 293.823 3.573 20 70 CHIDMN Fc1ccc2c(c1)nccc2N[C@H]1CCO[C@H](C2CC2)C1 ZINC000160443787 264244273 /nfs/dbraw/zinc/24/42/73/264244273.db2.gz MJOJVVLFYYIRII-GUYCJALGSA-N 0 1 286.350 3.743 20 70 CHIDMN Cc1ccc(CN(C)[C@H](C)c2ccc(F)cc2)nc1 ZINC000160781612 328084028 /nfs/dbraw/zinc/08/40/28/328084028.db2.gz DKCZZULQNPZJJT-CYBMUJFWSA-N 0 1 258.340 3.722 20 70 CHIDMN CC[C@@H](NCc1cccc2cc[nH]c21)c1nccs1 ZINC000217821804 333124011 /nfs/dbraw/zinc/12/40/11/333124011.db2.gz SAIGEPRREFBANE-CYBMUJFWSA-N 0 1 271.389 3.865 20 70 CHIDMN CCN(CC)[C@@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 ZINC000160570097 520830866 /nfs/dbraw/zinc/83/08/66/520830866.db2.gz YBDMFERHPZTUSL-ZDUSSCGKSA-N 0 1 273.380 3.756 20 70 CHIDMN Cc1ccc([C@@H](C)N[C@@H](CCCO)c2ccccc2)o1 ZINC000160889129 261230374 /nfs/dbraw/zinc/23/03/74/261230374.db2.gz IWVZBUCEYSQXGX-ZBFHGGJFSA-N 0 1 273.376 3.752 20 70 CHIDMN CCCCCN(Cc1cnn(C)c1)Cc1ccc(F)cc1 ZINC000216721511 262046753 /nfs/dbraw/zinc/04/67/53/262046753.db2.gz YKCOZENSOPTIAA-UHFFFAOYSA-N 0 1 289.398 3.752 20 70 CHIDMN Cc1ccsc1[C@H](C)NCc1cn2ccccc2n1 ZINC000159418241 327643541 /nfs/dbraw/zinc/64/35/41/327643541.db2.gz BSIWBAQPSPXDOH-LBPRGKRZSA-N 0 1 271.389 3.555 20 70 CHIDMN CCOc1cccc(CN(C)Cc2ccc(C)o2)c1 ZINC000160841391 328088011 /nfs/dbraw/zinc/08/80/11/328088011.db2.gz JMJGUAZNYJMNNX-UHFFFAOYSA-N 0 1 259.349 3.619 20 70 CHIDMN COCc1ccc(C[N@@H+](C)Cc2ccc(F)cc2)cc1 ZINC000161145024 328136901 /nfs/dbraw/zinc/13/69/01/328136901.db2.gz VTFKWJWLGWDXIG-UHFFFAOYSA-N 0 1 273.351 3.604 20 70 CHIDMN Cc1c(CNC2c3ccccc3-c3ccccc32)cnn1C ZINC000159607327 330849535 /nfs/dbraw/zinc/84/95/35/330849535.db2.gz ORMMDIZYVOVYII-UHFFFAOYSA-N 0 1 289.382 3.588 20 70 CHIDMN CC[C@@H](N[C@H](CCO)c1ccccc1)c1ccccc1OC ZINC000161081254 522943245 /nfs/dbraw/zinc/94/32/45/522943245.db2.gz KXTNUNIBOWYFGD-QZTJIDSGSA-N 0 1 299.414 3.860 20 70 CHIDMN Cc1ccc(CN[C@H]2CC(C)(C)Cc3occc32)cn1 ZINC000161281920 261243121 /nfs/dbraw/zinc/24/31/21/261243121.db2.gz JGZAPSIRKVKFOP-HNNXBMFYSA-N 0 1 270.376 3.786 20 70 CHIDMN CC1(C)C[C@H](Nc2ccnc3cc(F)ccc32)CCO1 ZINC000160696727 264256140 /nfs/dbraw/zinc/25/61/40/264256140.db2.gz KPSFPDZWXMAUBW-GFCCVEGCSA-N 0 1 274.339 3.743 20 70 CHIDMN CSc1ccc(NC(=O)c2c(C)n[nH]c2C(C)C)cc1 ZINC000159390210 327176797 /nfs/dbraw/zinc/17/67/97/327176797.db2.gz XVAJRLCIPPJYIW-UHFFFAOYSA-N 0 1 289.404 3.816 20 70 CHIDMN CCN(Cc1cnc2ccccn12)[C@@H](C)c1cccc(O)c1 ZINC000160531187 521434098 /nfs/dbraw/zinc/43/40/98/521434098.db2.gz VMDCWUSBQXPVEA-AWEZNQCLSA-N 0 1 295.386 3.623 20 70 CHIDMN Cc1ccc(C)c(OCCN(Cc2cccnc2)C2CC2)c1 ZINC000216711104 227380525 /nfs/dbraw/zinc/38/05/25/227380525.db2.gz YDLFFACPWXUGDH-UHFFFAOYSA-N 0 1 296.414 3.742 20 70 CHIDMN CC[C@@H](NCc1scnc1C)c1ccc(F)cc1F ZINC000160887230 261230084 /nfs/dbraw/zinc/23/00/84/261230084.db2.gz AOKZCTMCAQCJHW-CYBMUJFWSA-N 0 1 282.359 3.971 20 70 CHIDMN CC(C)Cn1cc(CN[C@H]2CCCc3sccc32)cn1 ZINC000160973129 261232389 /nfs/dbraw/zinc/23/23/89/261232389.db2.gz WKRGJXCTQPRVJB-HNNXBMFYSA-N 0 1 289.448 3.768 20 70 CHIDMN CCc1nnc(CN[C@H](c2ccccc2)C(CC)CC)[nH]1 ZINC000160328076 262076011 /nfs/dbraw/zinc/07/60/11/262076011.db2.gz WTSQRWFGZROGCE-KRWDZBQOSA-N 0 1 286.423 3.634 20 70 CHIDMN CCc1nnc(CN[C@@H](c2ccccc2)C(CC)CC)[nH]1 ZINC000160327945 262077148 /nfs/dbraw/zinc/07/71/48/262077148.db2.gz WTSQRWFGZROGCE-QGZVFWFLSA-N 0 1 286.423 3.634 20 70 CHIDMN Cc1ccc(CN(C)Cc2c[nH]nc2-c2ccc(C)o2)o1 ZINC000160846748 328088017 /nfs/dbraw/zinc/08/80/17/328088017.db2.gz BIFMUZVRSIIYFJ-UHFFFAOYSA-N 0 1 285.347 3.512 20 70 CHIDMN Cc1ccc([C@@H](C)NCc2cccc3cc[nH]c32)o1 ZINC000218074713 333126626 /nfs/dbraw/zinc/12/66/26/333126626.db2.gz DRRJIINXTMKZDK-GFCCVEGCSA-N 0 1 254.333 3.920 20 70 CHIDMN Cc1cccc([C@H](C)NCc2cn(C)nc2C(F)(F)F)c1 ZINC000159783716 261194057 /nfs/dbraw/zinc/19/40/57/261194057.db2.gz BSMKLMYRSCJQDV-NSHDSACASA-N 0 1 297.324 3.598 20 70 CHIDMN CC(=O)Nc1ccccc1CN(C)Cc1ccccc1C ZINC000160527911 261217262 /nfs/dbraw/zinc/21/72/62/261217262.db2.gz JRIQHWRIWCWZMO-UHFFFAOYSA-N 0 1 282.387 3.585 20 70 CHIDMN Cc1ccc(CN[C@H](C)c2cccnc2Cl)s1 ZINC000160919644 261230935 /nfs/dbraw/zinc/23/09/35/261230935.db2.gz BLNBRTLEAVIBGY-SNVBAGLBSA-N 0 1 266.797 3.956 20 70 CHIDMN 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Cc1ccc([C@H](C)N[C@@H](CCCO)c2ccccc2)o1 ZINC000160889276 261230318 /nfs/dbraw/zinc/23/03/18/261230318.db2.gz IWVZBUCEYSQXGX-HOCLYGCPSA-N 0 1 273.376 3.752 20 70 CHIDMN COc1ccc(Cl)cc1[C@@H](C)NCc1ccc(C)nc1 ZINC000161316005 261242909 /nfs/dbraw/zinc/24/29/09/261242909.db2.gz AAHGGPNXLSEZTA-GFCCVEGCSA-N 0 1 290.794 3.903 20 70 CHIDMN Cc1ccc(CN[C@H]2CSCCc3ccccc32)cn1 ZINC000161313140 261243028 /nfs/dbraw/zinc/24/30/28/261243028.db2.gz XSZABYWKALXPIA-KRWDZBQOSA-N 0 1 284.428 3.510 20 70 CHIDMN Fc1ccc2c(c1)nccc2N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000160443682 264244528 /nfs/dbraw/zinc/24/45/28/264244528.db2.gz MJOJVVLFYYIRII-DYVFJYSZSA-N 0 1 286.350 3.743 20 70 CHIDMN C[C@H]1CN(Cc2cnc3ccccn23)[C@@H]1c1ccccc1 ZINC000160875629 328090956 /nfs/dbraw/zinc/09/09/56/328090956.db2.gz DBXUZARVDGOOLW-KSSFIOAISA-N 0 1 277.371 3.527 20 70 CHIDMN C[C@@H]1CCC[C@@H](CNC(=O)c2ccc(O)c(Cl)c2)C1 ZINC000218010730 328166298 /nfs/dbraw/zinc/16/62/98/328166298.db2.gz BNVAXEXPZAXCIQ-GHMZBOCLSA-N 0 1 281.783 3.602 20 70 CHIDMN Cc1ccc2c(c1)[C@H](NCc1ccc(C)nc1)CCCO2 ZINC000161294931 329926057 /nfs/dbraw/zinc/92/60/57/329926057.db2.gz QVSDWFLUKKKOJN-QGZVFWFLSA-N 0 1 282.387 3.702 20 70 CHIDMN CN(Cc1csc(C2CC2)n1)C1CCCCC1 ZINC000161254034 523524207 /nfs/dbraw/zinc/52/42/07/523524207.db2.gz AXRHXXLMPXZXBB-UHFFFAOYSA-N 0 1 250.411 3.785 20 70 CHIDMN Cc1cccc([C@@H](C)NCc2cn(C)nc2C(F)(F)F)c1 ZINC000159783574 261194267 /nfs/dbraw/zinc/19/42/67/261194267.db2.gz BSMKLMYRSCJQDV-LLVKDONJSA-N 0 1 297.324 3.598 20 70 CHIDMN Cc1ccc(CN[C@@H](C)c2cccnc2Cl)s1 ZINC000160919517 261231338 /nfs/dbraw/zinc/23/13/38/261231338.db2.gz BLNBRTLEAVIBGY-JTQLQIEISA-N 0 1 266.797 3.956 20 70 CHIDMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3CC=CCC3)c2C)o1 ZINC000161431487 261246697 /nfs/dbraw/zinc/24/66/97/261246697.db2.gz PUZIXKGXAJNKPY-LBPRGKRZSA-N 0 1 285.347 3.581 20 70 CHIDMN Cc1ccc(CN(C)Cc2ccc3ncccc3c2)o1 ZINC000160856089 328089100 /nfs/dbraw/zinc/08/91/00/328089100.db2.gz REURYYDHNMQDGP-UHFFFAOYSA-N 0 1 266.344 3.768 20 70 CHIDMN CSc1ccc(CN(C)Cc2occc2C)cc1 ZINC000160913217 328094315 /nfs/dbraw/zinc/09/43/15/328094315.db2.gz ZITASGDENBNUON-UHFFFAOYSA-N 0 1 261.390 3.942 20 70 CHIDMN C[C@@H](NCc1cn2ccccc2n1)c1cc2c(s1)CCC2 ZINC000159422892 327186177 /nfs/dbraw/zinc/18/61/77/327186177.db2.gz ZKDOGCHALRULMG-GFCCVEGCSA-N 0 1 297.427 3.735 20 70 CHIDMN COc1ccccc1CNCc1cc(F)cc(Cl)c1 ZINC000160796027 330876385 /nfs/dbraw/zinc/87/63/85/330876385.db2.gz NJTLVXIAFCMGBL-UHFFFAOYSA-N 0 1 279.742 3.778 20 70 CHIDMN CCc1nc(CN[C@H](c2ccccc2Cl)C(C)C)n[nH]1 ZINC000160443233 522356581 /nfs/dbraw/zinc/35/65/81/522356581.db2.gz MWKJWENGHCBKJV-HNNXBMFYSA-N 0 1 292.814 3.507 20 70 CHIDMN CC[C@H](N[C@H](CCO)c1ccccc1)c1ccccc1OC ZINC000161081084 522748503 /nfs/dbraw/zinc/74/85/03/522748503.db2.gz KXTNUNIBOWYFGD-ZWKOTPCHSA-N 0 1 299.414 3.860 20 70 CHIDMN Cc1ccc(-c2nnc([C@@H](C)N3CCCCC3)o2)cc1C ZINC000160457012 525859796 /nfs/dbraw/zinc/85/97/96/525859796.db2.gz JMBUNZHUZZBZDF-CQSZACIVSA-N 0 1 285.391 3.900 20 70 CHIDMN CCCOc1cccc(CN[C@@H](C)c2cnn(CC)c2)c1 ZINC000160476862 261215151 /nfs/dbraw/zinc/21/51/51/261215151.db2.gz BRLKOLIHAYNXEQ-AWEZNQCLSA-N 0 1 287.407 3.543 20 70 CHIDMN Cc1nc(CN2CCCC2)oc1-c1ccc(Cl)cc1 ZINC000160467343 261215177 /nfs/dbraw/zinc/21/51/77/261215177.db2.gz AUZCQKHHLHNWBS-UHFFFAOYSA-N 0 1 276.767 3.899 20 70 CHIDMN Cc1ccc(CN[C@@H]2CCCOc3ccc(F)cc32)cn1 ZINC000161275136 261241936 /nfs/dbraw/zinc/24/19/36/261241936.db2.gz MJDNFFZKFDIQPU-MRXNPFEDSA-N 0 1 286.350 3.533 20 70 CHIDMN Cc1cccc2nc(CN[C@H]3CCc4cc(F)ccc43)cn21 ZINC000160289520 327696058 /nfs/dbraw/zinc/69/60/58/327696058.db2.gz OFXPOHDWOZNQIQ-KRWDZBQOSA-N 0 1 295.361 3.559 20 70 CHIDMN CCc1ccc([C@@H](CO)NCc2ccc(Cl)cc2)cc1 ZINC000160810651 328087125 /nfs/dbraw/zinc/08/71/25/328087125.db2.gz AAEDJADZBBHQAH-QGZVFWFLSA-N 0 1 289.806 3.726 20 70 CHIDMN CCn1nc(C)c(CN(C)Cc2cccc(Cl)c2)c1C ZINC000161130101 328135629 /nfs/dbraw/zinc/13/56/29/328135629.db2.gz YVZQCQMUNSOFEC-UHFFFAOYSA-N 0 1 291.826 3.805 20 70 CHIDMN CC(C)OCCCN[C@H](c1nccs1)c1ccccc1 ZINC000159825797 261194923 /nfs/dbraw/zinc/19/49/23/261194923.db2.gz NSPCLKSFBUZMAL-HNNXBMFYSA-N 0 1 290.432 3.637 20 70 CHIDMN CCN(Cc1ncc(-c2ccccc2F)o1)C(C)C ZINC000159980355 261201277 /nfs/dbraw/zinc/20/12/77/261201277.db2.gz RJBMYIYFAKETPJ-UHFFFAOYSA-N 0 1 262.328 3.711 20 70 CHIDMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3CC=CCC3)c2C)o1 ZINC000161431603 261247079 /nfs/dbraw/zinc/24/70/79/261247079.db2.gz PUZIXKGXAJNKPY-GFCCVEGCSA-N 0 1 285.347 3.581 20 70 CHIDMN CCc1ccc([C@H](CO)NCc2ccc(Cl)cc2)cc1 ZINC000160810772 328086930 /nfs/dbraw/zinc/08/69/30/328086930.db2.gz AAEDJADZBBHQAH-KRWDZBQOSA-N 0 1 289.806 3.726 20 70 CHIDMN Cc1ccsc1[C@H](C)NCc1cn2c(cccc2C)n1 ZINC000160314362 261211032 /nfs/dbraw/zinc/21/10/32/261211032.db2.gz AWZQFCXRQHMKPV-ZDUSSCGKSA-N 0 1 285.416 3.863 20 70 CHIDMN CC(C)Cn1cc(CN[C@@H]2CCCc3sccc32)cn1 ZINC000160973008 261232378 /nfs/dbraw/zinc/23/23/78/261232378.db2.gz WKRGJXCTQPRVJB-OAHLLOKOSA-N 0 1 289.448 3.768 20 70 CHIDMN Cc1ccc(C(=O)CCN(C)[C@@H](C)c2cccnc2)cc1 ZINC000161188343 261240514 /nfs/dbraw/zinc/24/05/14/261240514.db2.gz NKWLUIJQGSAJMO-HNNXBMFYSA-N 0 1 282.387 3.656 20 70 CHIDMN CCCn1cc(CN[C@H]2CCCc3sccc32)cn1 ZINC000160982103 330882529 /nfs/dbraw/zinc/88/25/29/330882529.db2.gz RLCDGGFBTDFNMJ-AWEZNQCLSA-N 0 1 275.421 3.522 20 70 CHIDMN Cc1ccnc(NCCc2cccc3cccnc32)c1 ZINC000161182058 525693532 /nfs/dbraw/zinc/69/35/32/525693532.db2.gz FQSXBLKYFACLLX-UHFFFAOYSA-N 0 1 263.344 3.593 20 70 CHIDMN Cc1cc(-c2nnc(CN(CC(C)C)C3CC3)o2)c(C)o1 ZINC000161369632 526058657 /nfs/dbraw/zinc/05/86/57/526058657.db2.gz CCZDPYUVFVGSSE-UHFFFAOYSA-N 0 1 289.379 3.567 20 70 CHIDMN Cc1ncccc1CN(C)CCOc1ccc(Cl)cc1 ZINC000161164404 328138551 /nfs/dbraw/zinc/13/85/51/328138551.db2.gz JNVPLTRVKNGFEO-UHFFFAOYSA-N 0 1 290.794 3.554 20 70 CHIDMN CCc1nc(CN[C@@H](C)c2cccc(Cl)c2Cl)n[nH]1 ZINC000160445739 522349789 /nfs/dbraw/zinc/34/97/89/522349789.db2.gz LNAHASFFLQPRSN-QMMMGPOBSA-N 0 1 299.205 3.525 20 70 CHIDMN