smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc([C@@H](C)NCc2nc(C)ccc2[O-])c1 ZINC000160148236 372219099 /nfs/dbraw/zinc/21/90/99/372219099.db2.gz GZEZHZRZIOFHAP-CYBMUJFWSA-N 0 3 256.349 3.255 10 70 CGIEHN Cc1cccc([C@@H](C)NCc2nc(C)ccc2O)c1 ZINC000160148236 372219104 /nfs/dbraw/zinc/21/91/04/372219104.db2.gz GZEZHZRZIOFHAP-CYBMUJFWSA-N 0 3 256.349 3.255 10 70 CGIEHN Cc1cccc([C@@H](C)[NH2+]Cc2nc(C)ccc2[O-])c1 ZINC000160148236 372219109 /nfs/dbraw/zinc/21/91/09/372219109.db2.gz GZEZHZRZIOFHAP-CYBMUJFWSA-N 0 3 256.349 3.255 10 70 CGIEHN CC(C)N(C)CC(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000159590034 372159343 /nfs/dbraw/zinc/15/93/43/372159343.db2.gz FRZABXNXTRJXKT-XJKSGUPXSA-N 0 3 274.408 3.081 10 70 CGIEHN COc1cccc(CCCN2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000160520298 372253624 /nfs/dbraw/zinc/25/36/24/372253624.db2.gz XHESOWXQRCXZTI-GOSISDBHSA-N 0 3 299.418 3.198 10 70 CGIEHN Cc1cccc(CN2CCC(c3cc[nH]n3)CC2)c1 ZINC000160537798 524390936 /nfs/dbraw/zinc/39/09/36/524390936.db2.gz DBMBUEUZXUPRCB-UHFFFAOYSA-N 0 3 255.365 3.098 10 70 CGIEHN CCC[C@@H](C(=O)N[C@@H](C)c1cc(C)sc1C)N(C)C ZINC000161504903 372328593 /nfs/dbraw/zinc/32/85/93/372328593.db2.gz AYCNXGOIPWXLEF-FZMZJTMJSA-N 0 3 282.453 3.272 10 70 CGIEHN CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000159589900 372159766 /nfs/dbraw/zinc/15/97/66/372159766.db2.gz FRZABXNXTRJXKT-CZUORRHYSA-N 0 3 274.408 3.081 10 70 CGIEHN CC(C)C[C@H](CN(C)C)NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000217682051 270085200 /nfs/dbraw/zinc/08/52/00/270085200.db2.gz ZUTLWJKXYYWXRJ-LZWOXQAQSA-N 0 3 278.440 3.469 10 70 CGIEHN C[C@@H]1CC[C@@H](NC(=O)C2CCN(C)CC2)c2ccccc21 ZINC000159580006 278584843 /nfs/dbraw/zinc/58/48/43/278584843.db2.gz YZWCVTKEFLHOEN-CXAGYDPISA-N 0 3 286.419 3.083 10 70 CGIEHN CC[C@H](C(=O)N[C@H]1CC[C@H](C)c2ccccc21)N(C)C ZINC000159785832 321840752 /nfs/dbraw/zinc/84/07/52/321840752.db2.gz NEBSOAJXBKFSGD-VBNZEHGJSA-N 0 3 274.408 3.081 10 70 CGIEHN CCC[C@H](C(=O)N[C@@H](C)c1cccc(C)c1C)N(C)C ZINC000160090477 372210050 /nfs/dbraw/zinc/21/00/50/372210050.db2.gz SGMRJXMVIAHUEO-GOEBONIOSA-N 0 3 276.424 3.211 10 70 CGIEHN CCn1cnnc1[C@H]1CCCN(C/C=C/c2ccccc2)C1 ZINC000161414814 523603942 /nfs/dbraw/zinc/60/39/42/523603942.db2.gz FOLJWUBXFXAEBY-BHMZLHOFSA-N 0 3 296.418 3.191 10 70 CGIEHN CCn1cc(C2CCN(Cc3cccc(F)c3)CC2)cn1 ZINC000160462200 372249177 /nfs/dbraw/zinc/24/91/77/372249177.db2.gz PFRFMKNWCWGAHZ-UHFFFAOYSA-N 0 3 287.382 3.422 10 70 CGIEHN C[C@@H]1CC[C@H](NC(=O)C2CCN(C)CC2)c2ccccc21 ZINC000159579730 278606212 /nfs/dbraw/zinc/60/62/12/278606212.db2.gz YZWCVTKEFLHOEN-DYVFJYSZSA-N 0 3 286.419 3.083 10 70 CGIEHN Cc1csc([C@@H]2CCCN(CCOCC3CC3)C2)n1 ZINC000159996613 232242903 /nfs/dbraw/zinc/24/29/03/232242903.db2.gz QARNEAVMIRKYQM-CQSZACIVSA-N 0 3 280.437 3.058 10 70 CGIEHN CCc1ccc([C@H](C)NC[C@@H]2CCCC[C@@H]2O)o1 ZINC000160656615 372266556 /nfs/dbraw/zinc/26/65/56/372266556.db2.gz PFAUQXISEAEVDM-OBJOEFQTSA-N 0 3 251.370 3.044 10 70 CGIEHN CCC[C@H](C(=O)N(C)Cc1ccc(Cl)cc1)N(C)C ZINC000161220181 372311617 /nfs/dbraw/zinc/31/16/17/372311617.db2.gz XMHZZHPFZVVYLL-CQSZACIVSA-N 0 3 282.815 3.029 10 70 CGIEHN C[C@H](N[C@@H]1CCC[C@@H](O)C1)c1ccccc1OC(F)F ZINC000217674045 572396804 /nfs/dbraw/zinc/39/68/04/572396804.db2.gz SSAMLPDMMMWLQM-QJPTWQEYSA-N 0 3 285.334 3.242 10 70 CGIEHN C[C@@H](N[C@H]1C[C@@H](C)CC(C)(C)C1)c1nnc2n1CCC2 ZINC000218163332 376184368 /nfs/dbraw/zinc/18/43/68/376184368.db2.gz FDSBNAIMDHQINY-UPJWGTAASA-N 0 3 276.428 3.090 10 70 CGIEHN CC(C)c1nc(CN2CCC(c3ccn[nH]3)CC2)cs1 ZINC000160550501 519862507 /nfs/dbraw/zinc/86/25/07/519862507.db2.gz IOZVGTIOQQWDGI-UHFFFAOYSA-N 0 3 290.436 3.369 10 70 CGIEHN CCC[C@@H](C(=O)NCc1ccc2ccccc2c1)N(C)C ZINC000159782237 372179396 /nfs/dbraw/zinc/17/93/96/372179396.db2.gz JFGOKKHAFFQULP-KRWDZBQOSA-N 0 3 284.403 3.186 10 70 CGIEHN CCC[C@@H](C(=O)N[C@@H]1CCSc2ccccc21)N(C)C ZINC000161037042 372296320 /nfs/dbraw/zinc/29/63/20/372296320.db2.gz WPHPKIFRVNVVJB-KGLIPLIRSA-N 0 3 292.448 3.070 10 70 CGIEHN C[C@H](N[C@H]1CCC[C@@H](O)C1)c1cc2ccccc2o1 ZINC000217646553 572395574 /nfs/dbraw/zinc/39/55/74/572395574.db2.gz RMMSNULHHOSKMQ-FPMFFAJLSA-N 0 3 259.349 3.387 10 70 CGIEHN C[C@@H](N[C@@H]1C[C@@H](C)CC(C)(C)C1)c1nnc2n1CCC2 ZINC000218163282 376185504 /nfs/dbraw/zinc/18/55/04/376185504.db2.gz FDSBNAIMDHQINY-JHJVBQTASA-N 0 3 276.428 3.090 10 70 CGIEHN CCOc1ccccc1[C@H](C)N[C@@H]1CCC[C@@H](O)C1 ZINC000217640677 572395716 /nfs/dbraw/zinc/39/57/16/572395716.db2.gz NGTIPUHUDLIUQK-BFHYXJOUSA-N 0 3 263.381 3.039 10 70 CGIEHN CCC[C@@H](C(=O)N[C@@H](C)c1ccccc1Cl)N(C)C ZINC000161233638 520591354 /nfs/dbraw/zinc/59/13/54/520591354.db2.gz DRENIZGKODVDLS-FZMZJTMJSA-N 0 3 282.815 3.248 10 70 CGIEHN COc1ccc(C)cc1CN1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160798373 533386979 /nfs/dbraw/zinc/38/69/79/533386979.db2.gz LHURAPOZSLMEDS-AEFFLSMTSA-N 0 3 289.419 3.131 10 70 CGIEHN COc1ccc([C@H]2c3ccccc3CCN2C)cc1 ZINC000217473269 346291044 /nfs/dbraw/zinc/29/10/44/346291044.db2.gz BROHBYNENSOOKK-KRWDZBQOSA-N 0 3 253.345 3.273 10 70 CGIEHN Cc1nc(C[C@H]2CCCN(Cc3cccc(C)c3)C2)no1 ZINC000161047148 526922907 /nfs/dbraw/zinc/92/29/07/526922907.db2.gz HSNDBUJYUCFPKM-MRXNPFEDSA-N 0 3 285.391 3.141 10 70 CGIEHN CC[C@H](C)[C@@H](N)C(=O)N(C)c1ccc(C(C)C)cc1 ZINC000161460928 372327188 /nfs/dbraw/zinc/32/71/88/372327188.db2.gz ZARUKFIPDWAOGU-SWLSCSKDSA-N 0 3 262.397 3.146 10 70 CGIEHN CCC[C@@H](C(=O)N(C)Cc1ccccc1Cl)N(C)C ZINC000161220581 321864815 /nfs/dbraw/zinc/86/48/15/321864815.db2.gz QIQJWNQVVKXLHM-AWEZNQCLSA-N 0 3 282.815 3.029 10 70 CGIEHN CCC[C@H](C(=O)N[C@H](C)c1cc(C)sc1C)N(C)C ZINC000161505256 372329205 /nfs/dbraw/zinc/32/92/05/372329205.db2.gz AYCNXGOIPWXLEF-BXUZGUMPSA-N 0 3 282.453 3.272 10 70 CGIEHN COc1ccc(C)cc1CN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160798270 533386620 /nfs/dbraw/zinc/38/66/20/533386620.db2.gz LHURAPOZSLMEDS-SJLPKXTDSA-N 0 3 289.419 3.131 10 70 CGIEHN CCOc1ccccc1CN1CCC(c2ccnn2C)CC1 ZINC000160521534 521481698 /nfs/dbraw/zinc/48/16/98/521481698.db2.gz VTNJEJMCXHFVMH-UHFFFAOYSA-N 0 3 299.418 3.198 10 70 CGIEHN Cc1ccc(CN2CCC(c3cc[nH]n3)CC2)cc1 ZINC000160654503 524441360 /nfs/dbraw/zinc/44/13/60/524441360.db2.gz MJFDUPIVSQAVGP-UHFFFAOYSA-N 0 3 255.365 3.098 10 70 CGIEHN CCC[C@@H](C(=O)N[C@@H](C)c1ccc(CC)cc1)N(C)C ZINC000161239252 321864597 /nfs/dbraw/zinc/86/45/97/321864597.db2.gz FGNAEELDXAJDLN-BBRMVZONSA-N 0 3 276.424 3.157 10 70 CGIEHN Cc1nc(C[C@@H]2CCCN(Cc3cccc(C)c3)C2)no1 ZINC000161047244 526920573 /nfs/dbraw/zinc/92/05/73/526920573.db2.gz HSNDBUJYUCFPKM-INIZCTEOSA-N 0 3 285.391 3.141 10 70 CGIEHN Cc1csc([C@H]2CCCN(CCOCC3CC3)C2)n1 ZINC000159996754 232243551 /nfs/dbraw/zinc/24/35/51/232243551.db2.gz QARNEAVMIRKYQM-AWEZNQCLSA-N 0 3 280.437 3.058 10 70 CGIEHN C[C@H]1OCC[C@H]1NCc1ccc(Cl)c2cccnc12 ZINC000160339303 372239598 /nfs/dbraw/zinc/23/95/98/372239598.db2.gz FONUJADGZKVXAW-QMTHXVAHSA-N 0 3 276.767 3.155 10 70 CGIEHN CCOc1ccccc1[C@@H](C)N[C@@H]1CCCN(CC)C1 ZINC000217913497 376181443 /nfs/dbraw/zinc/18/14/43/376181443.db2.gz DMJQVCODNSLICY-HUUCEWRRSA-N 0 3 276.424 3.220 10 70 CGIEHN CCC[C@H](C(=O)N[C@H](C)c1ccccc1Cl)N(C)C ZINC000161233998 520986262 /nfs/dbraw/zinc/98/62/62/520986262.db2.gz DRENIZGKODVDLS-BXUZGUMPSA-N 0 3 282.815 3.248 10 70 CGIEHN CCN(CC)CC(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000159460481 321835132 /nfs/dbraw/zinc/83/51/32/321835132.db2.gz FBZFFMDBGVFVFE-BBRMVZONSA-N 0 3 274.408 3.083 10 70 CGIEHN COc1cccc2cc([C@H](C)N[C@H]3CCC[C@@H](O)C3)oc21 ZINC000217625942 572395424 /nfs/dbraw/zinc/39/54/24/572395424.db2.gz JHLIBJNIENYLTK-FPMFFAJLSA-N 0 3 289.375 3.396 10 70 CGIEHN CC(C)N(C)CC(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000159589766 372159237 /nfs/dbraw/zinc/15/92/37/372159237.db2.gz FRZABXNXTRJXKT-BBRMVZONSA-N 0 3 274.408 3.081 10 70 CGIEHN CCSCCN1CCC[C@H](c2nccs2)C1 ZINC000160001718 372203251 /nfs/dbraw/zinc/20/32/51/372203251.db2.gz ACWLRTGWAPKSJU-NSHDSACASA-N 0 3 256.440 3.076 10 70 CGIEHN Cc1nc(C[C@H]2CCCN(Cc3ccccc3C)C2)no1 ZINC000161046337 526922681 /nfs/dbraw/zinc/92/26/81/526922681.db2.gz RBBPUWRHKZCENO-OAHLLOKOSA-N 0 3 285.391 3.141 10 70 CGIEHN CCN(CC)CC(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000159460345 372146044 /nfs/dbraw/zinc/14/60/44/372146044.db2.gz FBZFFMDBGVFVFE-XJKSGUPXSA-N 0 3 274.408 3.083 10 70 CGIEHN C[C@H](N[C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccco1 ZINC000160216960 372226834 /nfs/dbraw/zinc/22/68/34/372226834.db2.gz XEXDJDPGNYJVSM-VYDXJSESSA-N 0 3 299.418 3.236 10 70 CGIEHN CCC[C@H](C(=O)N[C@H]1CCSc2ccccc21)N(C)C ZINC000161037400 372296484 /nfs/dbraw/zinc/29/64/84/372296484.db2.gz WPHPKIFRVNVVJB-UONOGXRCSA-N 0 3 292.448 3.070 10 70 CGIEHN CCC[C@@H](C(=O)N(C)Cc1ccc(Cl)cc1)N(C)C ZINC000161220047 321864766 /nfs/dbraw/zinc/86/47/66/321864766.db2.gz XMHZZHPFZVVYLL-AWEZNQCLSA-N 0 3 282.815 3.029 10 70 CGIEHN CCC[C@H](C(=O)N[C@H](C)c1cccc(C)c1C)N(C)C ZINC000160090769 372212183 /nfs/dbraw/zinc/21/21/83/372212183.db2.gz SGMRJXMVIAHUEO-GDBMZVCRSA-N 0 3 276.424 3.211 10 70 CGIEHN CCn1cc(C2CCN(Cc3ccccc3)CC2)cn1 ZINC000160465012 523355515 /nfs/dbraw/zinc/35/55/15/523355515.db2.gz ZSGLXQCIKYQGPC-UHFFFAOYSA-N 0 3 269.392 3.283 10 70 CGIEHN Cc1cccc(CN2CCC(c3ccnn3C)CC2)c1 ZINC000160520608 524389242 /nfs/dbraw/zinc/38/92/42/524389242.db2.gz UGTWFZDOCARFKN-UHFFFAOYSA-N 0 3 269.392 3.108 10 70 CGIEHN O[C@@H]1CCC[C@H](N[C@@H](c2ccccc2)c2ccccn2)C1 ZINC000217636438 572395523 /nfs/dbraw/zinc/39/55/23/572395523.db2.gz QJUCPUNCLCJUJB-JZXOWHBKSA-N 0 3 282.387 3.064 10 70 CGIEHN CCOc1ccccc1[C@H](C)N[C@H]1CCC[C@@H](O)C1 ZINC000217640833 572395703 /nfs/dbraw/zinc/39/57/03/572395703.db2.gz NGTIPUHUDLIUQK-MELADBBJSA-N 0 3 263.381 3.039 10 70 CGIEHN CC(C)N(C)CC(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000159589639 372159837 /nfs/dbraw/zinc/15/98/37/372159837.db2.gz FRZABXNXTRJXKT-CJNGLKHVSA-N 0 3 274.408 3.081 10 70 CGIEHN CCc1nc(CN[C@@H]2c3ccccc3CCC2(C)C)n[nH]1 ZINC000160477522 372250684 /nfs/dbraw/zinc/25/06/84/372250684.db2.gz IUEBMVSJCUWUEG-MRXNPFEDSA-N 0 3 284.407 3.170 10 70 CGIEHN COc1ccc(Br)c([C@@H]2CCCCN2)c1 ZINC000218718910 392997836 /nfs/dbraw/zinc/99/78/36/392997836.db2.gz FMHOSDWVTLUQJM-LBPRGKRZSA-N 0 3 270.170 3.272 10 70 CGIEHN O[C@@H]1CCCC[C@H]1[C@@H]1CCCN1Cc1cc(F)cc(F)c1 ZINC000218731225 392999253 /nfs/dbraw/zinc/99/92/53/392999253.db2.gz BSTSTAYNXOPDNB-YESZJQIVSA-N 0 3 295.373 3.480 10 70 CGIEHN c1cc(C2CCN(Cc3cccc4cccnc43)CC2)n[nH]1 ZINC000160535489 526419138 /nfs/dbraw/zinc/41/91/38/526419138.db2.gz AHWKNUKRPIFAGM-UHFFFAOYSA-N 0 3 292.386 3.338 10 70 CGIEHN CCCCC[C@H](N)c1cc(OC)c(OC)cc1OC ZINC000159517279 346167821 /nfs/dbraw/zinc/16/78/21/346167821.db2.gz RNFFQXPLRONCDR-LBPRGKRZSA-N 0 3 267.369 3.293 10 70 CGIEHN CCC[C@@H](C(=O)N[C@H](C)c1ccc(CC)cc1)N(C)C ZINC000161239463 372311103 /nfs/dbraw/zinc/31/11/03/372311103.db2.gz FGNAEELDXAJDLN-CJNGLKHVSA-N 0 3 276.424 3.157 10 70 CGIEHN C[C@H]1CC[C@H](NC(=O)C2CCN(C)CC2)c2ccccc21 ZINC000159579855 392581164 /nfs/dbraw/zinc/58/11/64/392581164.db2.gz YZWCVTKEFLHOEN-GUYCJALGSA-N 0 3 286.419 3.083 10 70 CGIEHN Cc1ccccc1[C@H](C)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000159604410 525417921 /nfs/dbraw/zinc/41/79/21/525417921.db2.gz YAWFHGLOPRUUPU-LSDHHAIUSA-N 0 3 298.434 3.376 10 70 CGIEHN C[C@H](N[C@H]1CCC[C@@H](O)C1)c1ccccc1OC(F)F ZINC000217674209 572396686 /nfs/dbraw/zinc/39/66/86/572396686.db2.gz SSAMLPDMMMWLQM-SDDRHHMPSA-N 0 3 285.334 3.242 10 70 CGIEHN CCCCC[C@@H](N)c1cc(OC)c(OC)cc1OC ZINC000159517419 346167832 /nfs/dbraw/zinc/16/78/32/346167832.db2.gz RNFFQXPLRONCDR-GFCCVEGCSA-N 0 3 267.369 3.293 10 70 CGIEHN c1ccc(C2=CCN(CC3=CCCOC3)CC2)cc1 ZINC000159759017 372176777 /nfs/dbraw/zinc/17/67/77/372176777.db2.gz FJROFCVORYPOQO-UHFFFAOYSA-N 0 3 255.361 3.122 10 70 CGIEHN CCC[C@H](C(=O)NCc1ccc2ccccc2c1)N(C)C ZINC000159782381 321840672 /nfs/dbraw/zinc/84/06/72/321840672.db2.gz JFGOKKHAFFQULP-QGZVFWFLSA-N 0 3 284.403 3.186 10 70 CGIEHN CCC1CCC(NC(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000159860579 321841937 /nfs/dbraw/zinc/84/19/37/321841937.db2.gz LMPUWZLJECVOTC-UHFFFAOYSA-N 0 3 288.435 3.447 10 70 CGIEHN COc1cccc(CCCN2CCS[C@@H](C)C2)c1 ZINC000160582288 525885177 /nfs/dbraw/zinc/88/51/77/525885177.db2.gz XBKUHODREKOKLT-ZDUSSCGKSA-N 0 3 265.422 3.065 10 70 CGIEHN Cc1nc(C[C@@H]2CCCN(Cc3ccccc3C)C2)no1 ZINC000161046462 526920048 /nfs/dbraw/zinc/92/00/48/526920048.db2.gz RBBPUWRHKZCENO-HNNXBMFYSA-N 0 3 285.391 3.141 10 70 CGIEHN COc1cccc2cc([C@H](C)N[C@@H]3CCC[C@@H](O)C3)oc21 ZINC000217625779 572395845 /nfs/dbraw/zinc/39/58/45/572395845.db2.gz JHLIBJNIENYLTK-IACUBPJLSA-N 0 3 289.375 3.396 10 70 CGIEHN Cc1ccccc1[C@@H](C)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000159604568 372161699 /nfs/dbraw/zinc/16/16/99/372161699.db2.gz YAWFHGLOPRUUPU-CABCVRRESA-N 0 3 298.434 3.376 10 70 CGIEHN CCC[C@H](C(=O)NCCc1ccc2ccccc2c1)N(C)C ZINC000159990530 321844457 /nfs/dbraw/zinc/84/44/57/321844457.db2.gz QUBQXPLEOAZTJF-GOSISDBHSA-N 0 3 298.430 3.229 10 70 CGIEHN CCC[C@H](C(=O)N[C@H](C)c1cccc(Cl)c1)N(C)C ZINC000161235235 321864776 /nfs/dbraw/zinc/86/47/76/321864776.db2.gz XFGCIWZDXFBEHX-BXUZGUMPSA-N 0 3 282.815 3.248 10 70 CGIEHN CC(C)CN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161109285 519732462 /nfs/dbraw/zinc/73/24/62/519732462.db2.gz MLNVHAHHEARGJN-ZIAGYGMSSA-N 0 3 287.325 3.469 10 70 CGIEHN CCOc1ccc(CN2CCC(c3ccnn3C)CC2)cc1 ZINC000160650416 520969574 /nfs/dbraw/zinc/96/95/74/520969574.db2.gz LVDUFKKXVADIRA-UHFFFAOYSA-N 0 3 299.418 3.198 10 70 CGIEHN C[C@H]1CC[C@@H](NC(=O)C2CCN(C)CC2)c2ccccc21 ZINC000159580135 392580493 /nfs/dbraw/zinc/58/04/93/392580493.db2.gz YZWCVTKEFLHOEN-SUMWQHHRSA-N 0 3 286.419 3.083 10 70 CGIEHN COc1ccc([C@@H]2c3ccccc3CCN2C)cc1 ZINC000217473343 346290952 /nfs/dbraw/zinc/29/09/52/346290952.db2.gz BROHBYNENSOOKK-QGZVFWFLSA-N 0 3 253.345 3.273 10 70 CGIEHN CC[C@H](C(=O)N[C@@H]1CC[C@H](C)c2ccccc21)N(C)C ZINC000159785573 372179539 /nfs/dbraw/zinc/17/95/39/372179539.db2.gz NEBSOAJXBKFSGD-APHBMKBZSA-N 0 3 274.408 3.081 10 70 CGIEHN CCC[C@@H](C(=O)NCCc1ccc2ccccc2c1)N(C)C ZINC000159990406 372201811 /nfs/dbraw/zinc/20/18/11/372201811.db2.gz QUBQXPLEOAZTJF-SFHVURJKSA-N 0 3 298.430 3.229 10 70 CGIEHN COc1cccc(CCCN2CCC[C@H]2c2cnn(C)c2)c1 ZINC000160520167 372254626 /nfs/dbraw/zinc/25/46/26/372254626.db2.gz XHESOWXQRCXZTI-SFHVURJKSA-N 0 3 299.418 3.198 10 70 CGIEHN CCC[C@@H](C(=O)N[C@H](C)c1cccc(Cl)c1)N(C)C ZINC000161235144 321864532 /nfs/dbraw/zinc/86/45/32/321864532.db2.gz XFGCIWZDXFBEHX-RISCZKNCSA-N 0 3 282.815 3.248 10 70 CGIEHN CCC[C@@H](C(=O)N[C@@H](C)c1cccc(C)c1C)N(C)C ZINC000160090351 372210808 /nfs/dbraw/zinc/21/08/08/372210808.db2.gz SGMRJXMVIAHUEO-HOCLYGCPSA-N 0 3 276.424 3.211 10 70 CGIEHN Cc1ccc([C@H](C)N[C@H](C)C(=O)NCC(C)C)c(C)c1 ZINC000159728580 372173483 /nfs/dbraw/zinc/17/34/83/372173483.db2.gz NSJUNSIMLIDRCI-LSDHHAIUSA-N 0 3 276.424 3.115 10 70 CGIEHN CCC[C@H](C(=O)N[C@@H](C)c1cc(C)sc1C)N(C)C ZINC000161505026 372328617 /nfs/dbraw/zinc/32/86/17/372328617.db2.gz AYCNXGOIPWXLEF-SMDDNHRTSA-N 0 3 282.453 3.272 10 70 CGIEHN CCC[C@H](C(=O)N[C@H](C)c1ccc(CC)cc1)N(C)C ZINC000161239599 321865393 /nfs/dbraw/zinc/86/53/93/321865393.db2.gz FGNAEELDXAJDLN-CZUORRHYSA-N 0 3 276.424 3.157 10 70 CGIEHN CCc1csc([C@H]2CCCN(CCOCC3CC3)C2)n1 ZINC000160015277 529693191 /nfs/dbraw/zinc/69/31/91/529693191.db2.gz WTBQDWKJQVDCRV-AWEZNQCLSA-N 0 3 294.464 3.312 10 70 CGIEHN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)NCC(C)C)c(C)c1 ZINC000159728201 372174283 /nfs/dbraw/zinc/17/42/83/372174283.db2.gz NSJUNSIMLIDRCI-CABCVRRESA-N 0 3 276.424 3.115 10 70 CGIEHN COc1ccc(Br)c([C@H]2CCCCN2)c1 ZINC000218718990 392998067 /nfs/dbraw/zinc/99/80/67/392998067.db2.gz FMHOSDWVTLUQJM-GFCCVEGCSA-N 0 3 270.170 3.272 10 70 CGIEHN CC(C)C[C@H](CN(C)C)NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000217681960 270085160 /nfs/dbraw/zinc/08/51/60/270085160.db2.gz ZUTLWJKXYYWXRJ-SQWLQELKSA-N 0 3 278.440 3.469 10 70 CGIEHN COC(CN1CCC[C@@H](c2nc(C(C)C)cs2)C1)OC ZINC000161251270 522531651 /nfs/dbraw/zinc/53/16/51/522531651.db2.gz LWLJZWQFQPNXNF-GFCCVEGCSA-N 0 3 298.452 3.065 10 70 CGIEHN CCc1nc(CN[C@H]2c3ccccc3CCC2(C)C)n[nH]1 ZINC000160477654 392582257 /nfs/dbraw/zinc/58/22/57/392582257.db2.gz IUEBMVSJCUWUEG-INIZCTEOSA-N 0 3 284.407 3.170 10 70 CGIEHN CCC[C@@H](C(=O)N[C@H](C)c1cc(C)sc1C)N(C)C ZINC000161505138 188531679 /nfs/dbraw/zinc/53/16/79/188531679.db2.gz AYCNXGOIPWXLEF-RISCZKNCSA-N 0 3 282.453 3.272 10 70 CGIEHN Cc1ccccc1[C@@H](C)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000159604284 372160528 /nfs/dbraw/zinc/16/05/28/372160528.db2.gz YAWFHGLOPRUUPU-HUUCEWRRSA-N 0 3 298.434 3.376 10 70 CGIEHN Cc1ccccc1[C@H](C)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000159604725 372160571 /nfs/dbraw/zinc/16/05/71/372160571.db2.gz YAWFHGLOPRUUPU-GJZGRUSLSA-N 0 3 298.434 3.376 10 70 CGIEHN CC[C@@H](C)[C@@H](N)C(=O)N(C)c1ccc(C(C)C)cc1 ZINC000161460843 372327327 /nfs/dbraw/zinc/32/73/27/372327327.db2.gz ZARUKFIPDWAOGU-IUODEOHRSA-N 0 3 262.397 3.146 10 70 CGIEHN CCOc1ccccc1[C@@H](C)N[C@H]1CCCN(CC)C1 ZINC000217913577 376181685 /nfs/dbraw/zinc/18/16/85/376181685.db2.gz DMJQVCODNSLICY-CABCVRRESA-N 0 3 276.424 3.220 10 70 CGIEHN CCC[C@H](C(=O)N[C@@H](C)c1ccc(CC)cc1)N(C)C ZINC000161239372 321864615 /nfs/dbraw/zinc/86/46/15/321864615.db2.gz FGNAEELDXAJDLN-XJKSGUPXSA-N 0 3 276.424 3.157 10 70 CGIEHN CCC[C@H](C(=O)NCC(C)(C)Cc1ccccc1)N(C)C ZINC000160907779 372287724 /nfs/dbraw/zinc/28/77/24/372287724.db2.gz UAVDCKHXNQTBCA-MRXNPFEDSA-N 0 3 290.451 3.102 10 70 CGIEHN CC(C)CN1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161109420 519731957 /nfs/dbraw/zinc/73/19/57/519731957.db2.gz MLNVHAHHEARGJN-UONOGXRCSA-N 0 3 287.325 3.469 10 70 CGIEHN Cn1nccc1C1CCN(Cc2ccccc2Cl)CC1 ZINC000160524906 527599652 /nfs/dbraw/zinc/59/96/52/527599652.db2.gz FEFSTCMEBMEKGQ-UHFFFAOYSA-N 0 3 289.810 3.453 10 70 CGIEHN CCSCCN1CCC[C@@H](c2nccs2)C1 ZINC000160001864 372203344 /nfs/dbraw/zinc/20/33/44/372203344.db2.gz ACWLRTGWAPKSJU-LLVKDONJSA-N 0 3 256.440 3.076 10 70 CGIEHN C[C@H](NCC(C)(C)O)c1ccccc1OC(F)(F)F ZINC000160596041 525311685 /nfs/dbraw/zinc/31/16/85/525311685.db2.gz IRCXYHVULZIXSH-VIFPVBQESA-N 0 3 277.286 3.007 10 70 CGIEHN CCC[C@H](C(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C)N(C)C ZINC000159780020 372179324 /nfs/dbraw/zinc/17/93/24/372179324.db2.gz LSYONVITXKYURA-BHYGNILZSA-N 0 3 288.435 3.121 10 70 CGIEHN C(=C/c1ccccc1)\CN1CCC(c2cc[nH]n2)CC1 ZINC000160654628 518371058 /nfs/dbraw/zinc/37/10/58/518371058.db2.gz OUEBMPJHSCTHQC-QPJJXVBHSA-N 0 3 267.376 3.303 10 70 CGIEHN CCc1csc([C@@H]2CCCN(CCOCC3CC3)C2)n1 ZINC000160015137 529692978 /nfs/dbraw/zinc/69/29/78/529692978.db2.gz WTBQDWKJQVDCRV-CQSZACIVSA-N 0 3 294.464 3.312 10 70 CGIEHN CCSCCN1CCC[C@@H](c2nc(C)cs2)C1 ZINC000159997359 372203423 /nfs/dbraw/zinc/20/34/23/372203423.db2.gz AQXORRHPDFITAM-GFCCVEGCSA-N 0 3 270.467 3.384 10 70 CGIEHN CCC[C@H](C(=O)N(C)Cc1cccc(Cl)c1)N(C)C ZINC000161226533 372311491 /nfs/dbraw/zinc/31/14/91/372311491.db2.gz QRUBKFDXPDMLRQ-CQSZACIVSA-N 0 3 282.815 3.029 10 70 CGIEHN CCOc1ccccc1CN1CCC(c2cc[nH]n2)CC1 ZINC000160539746 521480967 /nfs/dbraw/zinc/48/09/67/521480967.db2.gz KIOSKNWCIIOLAV-UHFFFAOYSA-N 0 3 285.391 3.188 10 70 CGIEHN CCSCCN1CCC[C@H](c2nc(C)cs2)C1 ZINC000159997207 372203457 /nfs/dbraw/zinc/20/34/57/372203457.db2.gz AQXORRHPDFITAM-LBPRGKRZSA-N 0 3 270.467 3.384 10 70 CGIEHN CCn1cc(C2CCN(Cc3ccccc3F)CC2)cn1 ZINC000160465870 523358116 /nfs/dbraw/zinc/35/81/16/523358116.db2.gz WBPGSLYYYSNOJL-UHFFFAOYSA-N 0 3 287.382 3.422 10 70 CGIEHN CCN(CC)CC(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000159460727 372146229 /nfs/dbraw/zinc/14/62/29/372146229.db2.gz FBZFFMDBGVFVFE-CJNGLKHVSA-N 0 3 274.408 3.083 10 70 CGIEHN CCCn1nccc1CN[C@H]1CCc2ccccc21 ZINC000159981416 542152026 /nfs/dbraw/zinc/15/20/26/542152026.db2.gz QQZFCUAOOZJCAP-INIZCTEOSA-N 0 3 255.365 3.070 10 70 CGIEHN CCC[C@@H](C(=O)NCC(C)(C)Cc1ccccc1)N(C)C ZINC000160907652 321860068 /nfs/dbraw/zinc/86/00/68/321860068.db2.gz UAVDCKHXNQTBCA-INIZCTEOSA-N 0 3 290.451 3.102 10 70 CGIEHN Cc1ccc(CN2CCC(c3ccnn3C)CC2)cc1 ZINC000160650578 524439884 /nfs/dbraw/zinc/43/98/84/524439884.db2.gz PQFSSYIACHTPLL-UHFFFAOYSA-N 0 3 269.392 3.108 10 70 CGIEHN O[C@@H]1CCC[C@@H](N[C@@H](c2ccccc2)c2ccccn2)C1 ZINC000217636526 572395486 /nfs/dbraw/zinc/39/54/86/572395486.db2.gz QJUCPUNCLCJUJB-NUJGCVRESA-N 0 3 282.387 3.064 10 70 CGIEHN CCC[C@@H](C(=O)N[C@@H](C)c1cccc(Cl)c1)N(C)C ZINC000161234913 372310837 /nfs/dbraw/zinc/31/08/37/372310837.db2.gz XFGCIWZDXFBEHX-FZMZJTMJSA-N 0 3 282.815 3.248 10 70 CGIEHN CCCn1nccc1CN[C@@H](C)c1ccccc1C ZINC000159979123 542152203 /nfs/dbraw/zinc/15/22/03/542152203.db2.gz LVRCEDBOHOOJOG-AWEZNQCLSA-N 0 3 257.381 3.452 10 70 CGIEHN CCC[C@H](C(=O)N1C[C@H](c2ccccc2)C[C@@H]1C)N(C)C ZINC000159779731 321840276 /nfs/dbraw/zinc/84/02/76/321840276.db2.gz LSYONVITXKYURA-USXIJHARSA-N 0 3 288.435 3.121 10 70 CGIEHN CCn1cc(C2CCN(Cc3cccc(OC)c3)CC2)cn1 ZINC000160638397 523357578 /nfs/dbraw/zinc/35/75/78/523357578.db2.gz YVSZHMWCFSIHFE-UHFFFAOYSA-N 0 3 299.418 3.291 10 70 CGIEHN Cc1ccc([C@H](C)N[C@@H](C)C(=O)NCC(C)C)c(C)c1 ZINC000159728320 372174249 /nfs/dbraw/zinc/17/42/49/372174249.db2.gz NSJUNSIMLIDRCI-GJZGRUSLSA-N 0 3 276.424 3.115 10 70 CGIEHN CCC[C@@H](C(=O)N[C@H](C)c1cccc(C)c1C)N(C)C ZINC000160090603 321846247 /nfs/dbraw/zinc/84/62/47/321846247.db2.gz SGMRJXMVIAHUEO-ZBFHGGJFSA-N 0 3 276.424 3.211 10 70 CGIEHN CCC[C@@H](C(=O)N(C)Cc1cccc(Cl)c1)N(C)C ZINC000161226404 321864917 /nfs/dbraw/zinc/86/49/17/321864917.db2.gz QRUBKFDXPDMLRQ-AWEZNQCLSA-N 0 3 282.815 3.029 10 70 CGIEHN C[C@@H](NCC(C)(C)O)c1ccccc1OC(F)(F)F ZINC000160596165 525417083 /nfs/dbraw/zinc/41/70/83/525417083.db2.gz IRCXYHVULZIXSH-SECBINFHSA-N 0 3 277.286 3.007 10 70 CGIEHN C[C@H](N[C@@H]1CCC[C@@H](O)C1)c1cc2ccccc2o1 ZINC000217646384 572395667 /nfs/dbraw/zinc/39/56/67/572395667.db2.gz RMMSNULHHOSKMQ-IACUBPJLSA-N 0 3 259.349 3.387 10 70 CGIEHN CCC[C@@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)N(C)C ZINC000161237442 321864797 /nfs/dbraw/zinc/86/47/97/321864797.db2.gz UMYBWCFLBZFNPV-FZMZJTMJSA-N 0 3 282.815 3.248 10 70 CGIEHN O[C@@H]1CCCC[C@@H]1[C@@H]1CCCN1Cc1cc(F)cc(F)c1 ZINC000218731074 392999732 /nfs/dbraw/zinc/99/97/32/392999732.db2.gz BSTSTAYNXOPDNB-IXDOHACOSA-N 0 3 295.373 3.480 10 70 CGIEHN CCC[C@@H](C(=O)N[C@H]1CCSc2ccccc21)N(C)C ZINC000161037284 372296777 /nfs/dbraw/zinc/29/67/77/372296777.db2.gz WPHPKIFRVNVVJB-KBPBESRZSA-N 0 3 292.448 3.070 10 70 CGIEHN CC(C)N(CCN(C)Cc1ccc(F)cc1)CC(F)F ZINC000160303812 372235630 /nfs/dbraw/zinc/23/56/30/372235630.db2.gz NZVGAYNCNSLGEE-UHFFFAOYSA-N 0 3 288.357 3.233 10 70 CGIEHN CCC[C@@H](C(=O)N[C@H](C)c1ccccc1Cl)N(C)C ZINC000161233878 520594290 /nfs/dbraw/zinc/59/42/90/520594290.db2.gz DRENIZGKODVDLS-RISCZKNCSA-N 0 3 282.815 3.248 10 70 CGIEHN CCC[C@H](C(=O)N[C@@H](C)c1ccccc1Cl)N(C)C ZINC000161233749 520984163 /nfs/dbraw/zinc/98/41/63/520984163.db2.gz DRENIZGKODVDLS-SMDDNHRTSA-N 0 3 282.815 3.248 10 70 CGIEHN COC(CN1CCC[C@H](c2nc(C(C)C)cs2)C1)OC ZINC000161251401 522533680 /nfs/dbraw/zinc/53/36/80/522533680.db2.gz LWLJZWQFQPNXNF-LBPRGKRZSA-N 0 3 298.452 3.065 10 70 CGIEHN CCn1cnnc1[C@@H]1CCCN(C/C=C/c2ccccc2)C1 ZINC000161414689 523596811 /nfs/dbraw/zinc/59/68/11/523596811.db2.gz FOLJWUBXFXAEBY-DKISHCGFSA-N 0 3 296.418 3.191 10 70 CGIEHN Cc1ccc([C@@H](C)N[C@H](C)C(=O)NCC(C)C)c(C)c1 ZINC000159728453 372174443 /nfs/dbraw/zinc/17/44/43/372174443.db2.gz NSJUNSIMLIDRCI-HUUCEWRRSA-N 0 3 276.424 3.115 10 70 CGIEHN CCC[C@H](C(=O)N(C)Cc1ccccc1Cl)N(C)C ZINC000161220721 321864550 /nfs/dbraw/zinc/86/45/50/321864550.db2.gz QIQJWNQVVKXLHM-CQSZACIVSA-N 0 3 282.815 3.029 10 70 CGIEHN CCC[C@H](C(=O)N[C@H](C)c1ccc(Cl)cc1)N(C)C ZINC000161237709 372310930 /nfs/dbraw/zinc/31/09/30/372310930.db2.gz UMYBWCFLBZFNPV-BXUZGUMPSA-N 0 3 282.815 3.248 10 70 CGIEHN CCC[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)N(C)C ZINC000161237536 321864729 /nfs/dbraw/zinc/86/47/29/321864729.db2.gz UMYBWCFLBZFNPV-SMDDNHRTSA-N 0 3 282.815 3.248 10 70 CGIEHN CCSCCN1CCC(c2nc(C)cs2)CC1 ZINC000159990608 372201536 /nfs/dbraw/zinc/20/15/36/372201536.db2.gz FJRSJRUSBGLKNW-UHFFFAOYSA-N 0 3 270.467 3.384 10 70 CGIEHN CCN(CC)CC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000159460613 372145912 /nfs/dbraw/zinc/14/59/12/372145912.db2.gz FBZFFMDBGVFVFE-CZUORRHYSA-N 0 3 274.408 3.083 10 70 CGIEHN CCn1cc(C2CCN(Cc3ccc(F)cc3)CC2)cn1 ZINC000160465454 523356750 /nfs/dbraw/zinc/35/67/50/523356750.db2.gz YZRMHTMGDNAMEH-UHFFFAOYSA-N 0 3 287.382 3.422 10 70 CGIEHN C[C@H](N[C@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccco1 ZINC000160217091 372226216 /nfs/dbraw/zinc/22/62/16/372226216.db2.gz XEXDJDPGNYJVSM-ZOBUZTSGSA-N 0 3 299.418 3.236 10 70 CGIEHN CCC[C@H](C(=O)N[C@@H]1CCSc2ccccc21)N(C)C ZINC000161037145 372296716 /nfs/dbraw/zinc/29/67/16/372296716.db2.gz WPHPKIFRVNVVJB-ZIAGYGMSSA-N 0 3 292.448 3.070 10 70 CGIEHN Fc1cccc(CN2CCC(c3ccn[nH]3)CC2)c1F ZINC000160536603 372255543 /nfs/dbraw/zinc/25/55/43/372255543.db2.gz JFKKLSKLBUHPSG-UHFFFAOYSA-N 0 3 277.318 3.068 10 70 CGIEHN CCC[C@H](C(=O)N[C@@H](C)c1cccc(Cl)c1)N(C)C ZINC000161235037 372310729 /nfs/dbraw/zinc/31/07/29/372310729.db2.gz XFGCIWZDXFBEHX-SMDDNHRTSA-N 0 3 282.815 3.248 10 70 CGIEHN CCC[C@@H](C(=O)N[C@H](C)c1ccc(Cl)cc1)N(C)C ZINC000161237600 321864877 /nfs/dbraw/zinc/86/48/77/321864877.db2.gz UMYBWCFLBZFNPV-RISCZKNCSA-N 0 3 282.815 3.248 10 70 CGIEHN CCOc1ccc(CN2CCC(c3cc[nH]n3)CC2)cc1 ZINC000160654359 520969794 /nfs/dbraw/zinc/96/97/94/520969794.db2.gz SYQHLJBOXMAVRT-UHFFFAOYSA-N 0 3 285.391 3.188 10 70 CGIEHN Cn1nccc1C1CCN(C/C=C/c2ccccc2)CC1 ZINC000160650835 527600127 /nfs/dbraw/zinc/60/01/27/527600127.db2.gz FVLDUDNOYOCXBB-VMPITWQZSA-N 0 3 281.403 3.313 10 70 CGIEHN