smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCn1c(C)cc(CN=Nc2cccc([N+](=O)[O-])c2C)c1C ZINC000728226048 1013173395 /nfs/dbraw/zinc/17/33/95/1013173395.db2.gz GBDOVQUUOXWAFX-UHFFFAOYSA-N 0 1 300.362 3.787 20 30 DHEDMN CCn1c(C)cc(CN=Nc2cc([N+](=O)[O-])ccc2C)c1C ZINC000728226485 1013196420 /nfs/dbraw/zinc/19/64/20/1013196420.db2.gz QJSZFKDKRUYRED-UHFFFAOYSA-N 0 1 300.362 3.787 20 30 DHEDMN C=CCCCCCCN1CCn2ncc(Br)c2C1 ZINC001209438089 1013279186 /nfs/dbraw/zinc/27/91/86/1013279186.db2.gz FHSVGUUAQYUEPH-UHFFFAOYSA-N 0 1 312.255 3.598 20 30 DHEDMN COc1cc(CNCc2cc(C#N)cs2)ccc1OC(C)C ZINC000748100004 1013347212 /nfs/dbraw/zinc/34/72/12/1013347212.db2.gz AJHIDWKFTMPJDB-UHFFFAOYSA-N 0 1 316.426 3.705 20 30 DHEDMN CC(C)c1csc(C(C#N)C(=O)c2cncnc2C(C)C)n1 ZINC000353893275 1013499914 /nfs/dbraw/zinc/49/99/14/1013499914.db2.gz TXETUCSDHPLRHY-NSHDSACASA-N 0 1 314.414 3.670 20 30 DHEDMN C#C[C@H](N[C@H](C)[C@@H]1CC1(F)F)c1ccc(Br)cc1 ZINC000894872235 1013576088 /nfs/dbraw/zinc/57/60/88/1013576088.db2.gz ZZPILIURWXODFR-ICCXJUOJSA-N 0 1 314.173 3.757 20 30 DHEDMN C[C@@H](C#N)Oc1ccc(/C=C\C(=O)c2cc(F)ccc2O)cc1 ZINC000255113995 1013735107 /nfs/dbraw/zinc/73/51/07/1013735107.db2.gz OYTWZLPZJXDIPQ-LDJOOVGUSA-N 0 1 311.312 3.718 20 30 DHEDMN Cc1cc([C@@H]2CCCN(C(=O)N[C@@H]3CC[C@H](C)C[C@@H]3C)C2)n[nH]1 ZINC000328666186 1013789094 /nfs/dbraw/zinc/78/90/94/1013789094.db2.gz CLGZROLVWWXPQO-WMHQRMGPSA-N 0 1 318.465 3.636 20 30 DHEDMN C[C@H]1CC[C@H](C)N1CC(=O)Nc1c[nH]nc1-c1ccccc1F ZINC000328692419 1013792050 /nfs/dbraw/zinc/79/20/50/1013792050.db2.gz RRLMYPQMCDMYQX-RYUDHWBXSA-N 0 1 316.380 3.677 20 30 DHEDMN Cc1cc([C@@H]2CCCN(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)C2)n[nH]1 ZINC000328679935 1013792486 /nfs/dbraw/zinc/79/24/86/1013792486.db2.gz BSZNYRSLGAOHPR-LCGIIJARSA-N 0 1 318.465 3.636 20 30 DHEDMN CCN1CCC[C@@H](NC(=O)c2coc(C3CCCCC3)n2)C1 ZINC000328702642 1013793593 /nfs/dbraw/zinc/79/35/93/1013793593.db2.gz XILBWJHRWHXLFZ-CQSZACIVSA-N 0 1 305.422 3.511 20 30 DHEDMN CC(C)c1nc(CCNC([O-])=[NH+][C@@H]2CCCC[C@@H]2C)cs1 ZINC000330425439 1013816576 /nfs/dbraw/zinc/81/65/76/1013816576.db2.gz GFGQQDXGWPIZCU-GXTWGEPZSA-N 0 1 309.479 3.891 20 30 DHEDMN CC[C@H](C)C[C@H](C)[NH+]=C([O-])N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000330950172 1013848501 /nfs/dbraw/zinc/84/85/01/1013848501.db2.gz JYZGWTWXGGKAJE-VGWMRTNUSA-N 0 1 306.454 3.505 20 30 DHEDMN C[C@@H](NCc1cnc(-c2ccccc2)nc1)c1cccc(C#N)c1 ZINC000610344892 1013953986 /nfs/dbraw/zinc/95/39/86/1013953986.db2.gz KTRXEVLFELQZTO-OAHLLOKOSA-N 0 1 314.392 3.866 20 30 DHEDMN Cc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000610346528 1013957623 /nfs/dbraw/zinc/95/76/23/1013957623.db2.gz VZJGZOKYBAKMFX-HOTGVXAUSA-N 0 1 321.424 3.853 20 30 DHEDMN Cc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000610346530 1013958082 /nfs/dbraw/zinc/95/80/82/1013958082.db2.gz VZJGZOKYBAKMFX-HZPDHXFCSA-N 0 1 321.424 3.853 20 30 DHEDMN N#C[C@@H]1CC[C@@H](NCc2cc(Cl)ccc2Br)C1 ZINC000567439093 1028891647 /nfs/dbraw/zinc/89/16/47/1028891647.db2.gz SZSQSCLSKDQYRR-BXKDBHETSA-N 0 1 313.626 3.884 20 30 DHEDMN C=CC[N@H+](CCOc1cccc(C(=O)[O-])c1)CC1CCCCC1 ZINC000576166177 974809471 /nfs/dbraw/zinc/80/94/71/974809471.db2.gz HXRFCFQNVUHGSD-UHFFFAOYSA-N 0 1 317.429 3.832 20 30 DHEDMN C=CCCC[N@H+](CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000576881513 974824591 /nfs/dbraw/zinc/82/45/91/974824591.db2.gz RIPHNNBSAANYLF-UHFFFAOYSA-N 0 1 301.308 3.558 20 30 DHEDMN Cc1ccnc([C@@H]2CCN(CC#Cc3ccc(Cl)cc3)C2)c1 ZINC000580783222 1014348006 /nfs/dbraw/zinc/34/80/06/1014348006.db2.gz PEMCXHTWMSOAQF-QGZVFWFLSA-N 0 1 310.828 3.884 20 30 DHEDMN Cc1cc(CN2CCN(c3cccc(C#N)c3)CC2)cc(C)c1F ZINC001143384591 1014444372 /nfs/dbraw/zinc/44/43/72/1014444372.db2.gz JEDHEUCXSKGZKK-UHFFFAOYSA-N 0 1 323.415 3.636 20 30 DHEDMN N#Cc1ccc2c(c1)[C@H](NCc1cc(Cl)cc3c1OCC3)CC2 ZINC000580955450 1014484024 /nfs/dbraw/zinc/48/40/24/1014484024.db2.gz BTVKPHHBVBFXHW-GOSISDBHSA-N 0 1 324.811 3.924 20 30 DHEDMN C=C[C@H]1CCCCN1C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000428045091 1014572940 /nfs/dbraw/zinc/57/29/40/1014572940.db2.gz OWMALOCYYCBLMP-LBPRGKRZSA-N 0 1 315.804 3.911 20 30 DHEDMN Cc1csc(C[C@H]2CCN(Cc3ccc(C#N)c(F)c3)C2)n1 ZINC000933125739 1014668271 /nfs/dbraw/zinc/66/82/71/1014668271.db2.gz IHVFOLJHLJXNSS-CQSZACIVSA-N 0 1 315.417 3.527 20 30 DHEDMN CC[C@@H](c1ccccc1)[N@H+](CC(=O)[O-])Cc1cc(C#N)cs1 ZINC001595360017 980747160 /nfs/dbraw/zinc/74/71/60/980747160.db2.gz AMENUBSGALMSAK-INIZCTEOSA-N 0 1 314.410 3.658 20 30 DHEDMN CC[C@@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1cc(C#N)cs1 ZINC001595360017 980747167 /nfs/dbraw/zinc/74/71/67/980747167.db2.gz AMENUBSGALMSAK-INIZCTEOSA-N 0 1 314.410 3.658 20 30 DHEDMN C=CC[N@H+](Cc1ccc(/C=C/C(=O)[O-])o1)CC1CCCCC1 ZINC000902252150 980799018 /nfs/dbraw/zinc/79/90/18/980799018.db2.gz CBKKSIGUMBBXMJ-ZHACJKMWSA-N 0 1 303.402 3.946 20 30 DHEDMN C=CC[C@H]1[N@H+](Cc2ccc(/C=C\C(=O)[O-])o2)CCCC1(C)C ZINC000902546540 980929188 /nfs/dbraw/zinc/92/91/88/980929188.db2.gz WVQDVTLQCNRYBN-ZBTGYSDGSA-N 0 1 303.402 3.944 20 30 DHEDMN CC[C@](C)(C(=O)[O-])[N@@H+](CC#Cc1ccccc1Cl)CC1CC1 ZINC001594778182 981773398 /nfs/dbraw/zinc/77/33/98/981773398.db2.gz JZEKHNFWOAVMJB-GOSISDBHSA-N 0 1 319.832 3.657 20 30 DHEDMN CCCCCCCC[N@H+]1CC[C@H](C(=O)[O-])C[C@H]1[C@H]1CCCO1 ZINC001595704376 982274280 /nfs/dbraw/zinc/27/42/80/982274280.db2.gz IVBDUOIIHNVTOQ-YESZJQIVSA-N 0 1 311.466 3.691 20 30 DHEDMN CCCCCCCC[N@H+]1CC[C@H](C(=O)[O-])C[C@@H]1[C@@H]1CCCO1 ZINC001595704373 982274418 /nfs/dbraw/zinc/27/44/18/982274418.db2.gz IVBDUOIIHNVTOQ-BBWFWOEESA-N 0 1 311.466 3.691 20 30 DHEDMN C[C@@H](Sc1ccccn1)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000178004265 1014859457 /nfs/dbraw/zinc/85/94/57/1014859457.db2.gz RDNHIIVTJKHWFG-VXGBXAGGSA-N 0 1 323.377 3.580 20 30 DHEDMN CCC[N@@H+](Cc1cc(C(=O)[O-])cs1)Cc1ccc(C#N)cc1 ZINC001595886065 982913908 /nfs/dbraw/zinc/91/39/08/982913908.db2.gz VVGFSFKNIFWYRP-UHFFFAOYSA-N 0 1 314.410 3.730 20 30 DHEDMN CC(C)(C#N)NC(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843568394 1014896987 /nfs/dbraw/zinc/89/69/87/1014896987.db2.gz ZKSFAJPZEKXKOZ-UHFFFAOYSA-N 0 1 307.127 3.504 20 30 DHEDMN CCOc1cccc(CN2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000367074433 1014902611 /nfs/dbraw/zinc/90/26/11/1014902611.db2.gz XXOCIGUVBLTQGC-UHFFFAOYSA-N 0 1 321.424 3.538 20 30 DHEDMN C=CCCc1ccccc1NS(=O)(=O)c1ccc(F)cc1F ZINC000443423821 1014910968 /nfs/dbraw/zinc/91/09/68/1014910968.db2.gz SAFAOAABCPUHMD-UHFFFAOYSA-N 0 1 323.364 3.884 20 30 DHEDMN C=CCCc1ccccc1NS(=O)(=O)c1ccccc1OC ZINC000443424715 1014911013 /nfs/dbraw/zinc/91/10/13/1014911013.db2.gz WBXDAPAFJDXKBG-UHFFFAOYSA-N 0 1 317.410 3.615 20 30 DHEDMN C#CC[N@H+](Cc1csc(C(=O)[O-])c1)[C@@H]1CCc2ccccc21 ZINC001588471167 983505034 /nfs/dbraw/zinc/50/50/34/983505034.db2.gz CFTYGPUUEQZMLB-MRXNPFEDSA-N 0 1 311.406 3.569 20 30 DHEDMN C#Cc1ccc(C[N@H+](CC(=O)[O-])[C@@H](CC)c2ccccc2)cc1 ZINC001588516164 983560470 /nfs/dbraw/zinc/56/04/70/983560470.db2.gz BJMUDDIGQJTJNH-IBGZPJMESA-N 0 1 307.393 3.706 20 30 DHEDMN C=C(CC)C[N@H+](C)[C@H](C(=O)[O-])c1ccc(Br)s1 ZINC001588605401 983692827 /nfs/dbraw/zinc/69/28/27/983692827.db2.gz CYTMXTVOMPBICL-NSHDSACASA-N 0 1 318.236 3.534 20 30 DHEDMN C=C(CC)C[N@@H+](C)[C@H](C(=O)[O-])c1ccc(Br)s1 ZINC001588605401 983692829 /nfs/dbraw/zinc/69/28/29/983692829.db2.gz CYTMXTVOMPBICL-NSHDSACASA-N 0 1 318.236 3.534 20 30 DHEDMN C#CCC1(NCc2coc(-c3ccc(F)c(F)c3)n2)CCC1 ZINC000933300772 1014975418 /nfs/dbraw/zinc/97/54/18/1014975418.db2.gz DFBGSNXZXUVCLC-UHFFFAOYSA-N 0 1 302.324 3.655 20 30 DHEDMN C=CC[N@H+](Cc1cc(C(=O)[O-])c(C)n1C)CC1CCCCC1 ZINC001588829353 984314085 /nfs/dbraw/zinc/31/40/85/984314085.db2.gz VCZQZDNRDGDJKN-UHFFFAOYSA-N 0 1 304.434 3.600 20 30 DHEDMN N#CC1(CCOC(=O)c2c(F)cc(O)cc2F)CCCCC1 ZINC000840232167 1015231549 /nfs/dbraw/zinc/23/15/49/1015231549.db2.gz QWTAEWPSDVGUPG-UHFFFAOYSA-N 0 1 309.312 3.691 20 30 DHEDMN N#Cc1csc(CN2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c1 ZINC000895788370 1015303631 /nfs/dbraw/zinc/30/36/31/1015303631.db2.gz RNICIANGRBEQDI-AAEUAGOBSA-N 0 1 300.349 3.784 20 30 DHEDMN Cc1sc(NC(=O)CN(C)[C@H](C)C(C)(C)C)c(C#N)c1C ZINC000610542624 1015377758 /nfs/dbraw/zinc/37/77/58/1015377758.db2.gz OAYWFGPQNMIZAX-GFCCVEGCSA-N 0 1 307.463 3.542 20 30 DHEDMN C=CCN(Cc1cccs1)C[C@@H](O)c1c(F)cccc1F ZINC000051262302 1015394661 /nfs/dbraw/zinc/39/46/61/1015394661.db2.gz GWOWAIZDYMTJJF-OAHLLOKOSA-N 0 1 309.381 3.748 20 30 DHEDMN CC(C)N(Cc1ccc(C#N)cc1)Cc1cccc2[nH]c(=O)oc21 ZINC000891624788 1015462525 /nfs/dbraw/zinc/46/25/25/1015462525.db2.gz GMWAPJMXWGTCOX-UHFFFAOYSA-N 0 1 321.380 3.816 20 30 DHEDMN Cc1cc(-n2ccnc2)ccc1CN(CCC#N)CCC(C)C ZINC000361829938 1032117263 /nfs/dbraw/zinc/11/72/63/1032117263.db2.gz PBALAWLQECJQGZ-UHFFFAOYSA-N 0 1 310.445 3.943 20 30 DHEDMN CCC[C@H](NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12)c1nn[nH]n1 ZINC000329192704 1015657803 /nfs/dbraw/zinc/65/78/03/1015657803.db2.gz SDUUISYBMZMENW-FQUUOJAGSA-N 0 1 305.426 3.604 20 30 DHEDMN C[N@@H+](CCC1(C#N)CCCCC1)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598471098 992027119 /nfs/dbraw/zinc/02/71/19/992027119.db2.gz ZDCDWCSMVLBLRF-MRXNPFEDSA-N 0 1 300.402 3.608 20 30 DHEDMN N#Cc1cc(C[N@@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)cs1 ZINC000891870330 1015699592 /nfs/dbraw/zinc/69/95/92/1015699592.db2.gz SIOZNAZAKDTOER-ZWKOTPCHSA-N 0 1 312.438 3.708 20 30 DHEDMN COc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)c(OC)c1 ZINC000341761280 1015725677 /nfs/dbraw/zinc/72/56/77/1015725677.db2.gz PRYAPVXZFFNCTB-LJQANCHMSA-N 0 1 322.408 3.743 20 30 DHEDMN C[N@H+](Cc1cccc(Cl)c1)Cc1cccc(C(=O)[O-])c1C#N ZINC001598526254 992724565 /nfs/dbraw/zinc/72/45/65/992724565.db2.gz SARTTYUPRJQRAC-UHFFFAOYSA-N 0 1 314.772 3.542 20 30 DHEDMN C[N@@H+](Cc1cccc(Cl)c1)Cc1cccc(C(=O)[O-])c1C#N ZINC001598526254 992724571 /nfs/dbraw/zinc/72/45/71/992724571.db2.gz SARTTYUPRJQRAC-UHFFFAOYSA-N 0 1 314.772 3.542 20 30 DHEDMN CC1CCC(CNC(=O)N2CC[C@H](n3cc(Cl)cn3)C2)CC1 ZINC000329544288 1015734942 /nfs/dbraw/zinc/73/49/42/1015734942.db2.gz FXGKTYUGNFMYBG-PIMMBPRGSA-N 0 1 324.856 3.524 20 30 DHEDMN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](CC)c1ccc(F)cc1F ZINC000341848195 1015769079 /nfs/dbraw/zinc/76/90/79/1015769079.db2.gz SAXQCZLOXYAZJK-SUMWQHHRSA-N 0 1 322.399 3.595 20 30 DHEDMN CC[C@@H](C)c1nc([C@H](C)Nc2ncc(Cl)c(C)c2C#N)n[nH]1 ZINC000277055634 1015860275 /nfs/dbraw/zinc/86/02/75/1015860275.db2.gz BBGBSKAPJFPFHR-SCZZXKLOSA-N 0 1 318.812 3.720 20 30 DHEDMN C[C@H](c1ccc(C#N)cc1)N1CC(c2nc3ccccc3[nH]2)C1 ZINC000610847120 1015882654 /nfs/dbraw/zinc/88/26/54/1015882654.db2.gz LHUKQUNTCVAZFD-CYBMUJFWSA-N 0 1 302.381 3.595 20 30 DHEDMN CCCN(Cc1ccc(OC)cc1)Cc1cc(C#N)ccc1OC ZINC000610953098 1015961984 /nfs/dbraw/zinc/96/19/84/1015961984.db2.gz IKJWBBLKEFXAPU-UHFFFAOYSA-N 0 1 324.424 3.988 20 30 DHEDMN Cc1[nH]c(SCc2ccnc(C#N)c2)nc1Cc1ccccc1 ZINC000610955662 1015963525 /nfs/dbraw/zinc/96/35/25/1015963525.db2.gz OXMUWPFIZNYGFW-UHFFFAOYSA-N 0 1 320.421 3.868 20 30 DHEDMN COCC[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccco1 ZINC000611559861 1016094298 /nfs/dbraw/zinc/09/42/98/1016094298.db2.gz CYGSJVBEPKWKOP-ROUUACIJSA-N 0 1 310.397 3.896 20 30 DHEDMN c1ccc(CN2CCC(N=Nc3cccc4cnccc43)C2)cc1 ZINC000728432565 1016114533 /nfs/dbraw/zinc/11/45/33/1016114533.db2.gz WWZHALSPVGVTOB-UHFFFAOYSA-N 0 1 316.408 3.909 20 30 DHEDMN COc1cc(C[N@@H+](C)Cc2ccc(Cl)cc2)ccc1C#N ZINC000234928077 1016327861 /nfs/dbraw/zinc/32/78/61/1016327861.db2.gz XPLOPXPGDKESDB-UHFFFAOYSA-N 0 1 300.789 3.852 20 30 DHEDMN COc1cc(CN(C)Cc2ccc(Cl)cc2)ccc1C#N ZINC000234928077 1016327869 /nfs/dbraw/zinc/32/78/69/1016327869.db2.gz XPLOPXPGDKESDB-UHFFFAOYSA-N 0 1 300.789 3.852 20 30 DHEDMN N#Cc1ccc(CNCCOc2cccc(Cl)c2Cl)o1 ZINC000539471545 1016340595 /nfs/dbraw/zinc/34/05/95/1016340595.db2.gz CMHDWXISTRVVMM-UHFFFAOYSA-N 0 1 311.168 3.627 20 30 DHEDMN C=CCCN(C)[C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000342767050 1017193052 /nfs/dbraw/zinc/19/30/52/1017193052.db2.gz VOZLSWYKWJNIGD-LLVKDONJSA-N 0 1 300.324 3.540 20 30 DHEDMN C#C[C@@H]1CCCN(Cc2ccc(F)c(OC(F)(F)F)c2)C1 ZINC001143441547 1016460715 /nfs/dbraw/zinc/46/07/15/1016460715.db2.gz ABKZLDWPRVLJMY-LLVKDONJSA-N 0 1 301.283 3.570 20 30 DHEDMN C#Cc1cccc(N(CC)C(=O)c2ccc(CN(CC)CC)o2)c1 ZINC000728480349 1016493154 /nfs/dbraw/zinc/49/31/54/1016493154.db2.gz OYCOMGIBRGVMBA-UHFFFAOYSA-N 0 1 324.424 3.769 20 30 DHEDMN COc1ccncc1CN(Cc1ccc(C#N)cc1)CC(C)C ZINC000346899610 1016622568 /nfs/dbraw/zinc/62/25/68/1016622568.db2.gz IPPWRNRVOUNNIJ-UHFFFAOYSA-N 0 1 309.413 3.620 20 30 DHEDMN COc1cc(CN[C@H](c2ccccc2)[C@@H]2CCCO2)ccc1C#N ZINC000281611911 1016623802 /nfs/dbraw/zinc/62/38/02/1016623802.db2.gz GRQGLBGHTBQJJS-AZUAARDMSA-N 0 1 322.408 3.577 20 30 DHEDMN Cc1ccccc1CN1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000522832984 1016816185 /nfs/dbraw/zinc/81/61/85/1016816185.db2.gz CEEVJIJHUQOANQ-GOSISDBHSA-N 0 1 319.452 3.746 20 30 DHEDMN C=C[C@H](CC)CC(=O)N1CCN([C@@H](CC)c2ccccc2)CC1 ZINC001126577634 1016871562 /nfs/dbraw/zinc/87/15/62/1016871562.db2.gz SUMHOZNJMNEZJD-MJGOQNOKSA-N 0 1 314.473 3.884 20 30 DHEDMN C=CCCc1ccccc1NC(=O)[C@@H]1C[C@H](C)Cc2cn[nH]c21 ZINC000623214891 1016922240 /nfs/dbraw/zinc/92/22/40/1016922240.db2.gz HFUQTNZXWOXKGG-CZUORRHYSA-N 0 1 309.413 3.833 20 30 DHEDMN N#C[C@@H](C(=O)c1ccoc1C1CC1)c1cnc2ccccc2n1 ZINC000342682602 1017003220 /nfs/dbraw/zinc/00/32/20/1017003220.db2.gz SJXWONHMNUVYPY-CYBMUJFWSA-N 0 1 303.321 3.590 20 30 DHEDMN N#CC(C(=O)c1ccoc1C1CC1)c1cnc2ccccc2n1 ZINC000342682602 1017003234 /nfs/dbraw/zinc/00/32/34/1017003234.db2.gz SJXWONHMNUVYPY-CYBMUJFWSA-N 0 1 303.321 3.590 20 30 DHEDMN Cc1cc(CN[C@H](C)c2cnn(CC3CCC3)c2)ccc1C#N ZINC000934559430 1017056172 /nfs/dbraw/zinc/05/61/72/1017056172.db2.gz NLZZJTSHKDJPHL-OAHLLOKOSA-N 0 1 308.429 3.714 20 30 DHEDMN CCCCCCCC(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000127111248 1017056485 /nfs/dbraw/zinc/05/64/85/1017056485.db2.gz MOYBHOHYEVTWIB-INIZCTEOSA-N 0 1 316.401 3.703 20 30 DHEDMN C=CCCC(=O)CSc1nc(C=Cc2ccc(C)o2)n[nH]1 ZINC000342710789 1017069367 /nfs/dbraw/zinc/06/93/67/1017069367.db2.gz TUINHBVCRJRHEH-HJWRWDBZSA-N 0 1 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ZINC000349578110 1024729148 /nfs/dbraw/zinc/72/91/48/1024729148.db2.gz PGWDWHPTUWRAPH-UHFFFAOYSA-N 0 1 316.426 3.659 20 30 DHEDMN CC[C@@H]1CC[C@H](C)N(CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC001170281185 1024733654 /nfs/dbraw/zinc/73/36/54/1024733654.db2.gz XBSNCSAJUWLJHI-QWHCGFSZSA-N 0 1 319.836 3.661 20 30 DHEDMN CCCCCCCC[C@H](CC)[NH2+][C@@H](CCC(=O)[O-])C(=O)OC ZINC001172501999 1033231988 /nfs/dbraw/zinc/23/19/88/1033231988.db2.gz HHEVGKOPGCDECL-GJZGRUSLSA-N 0 1 315.454 3.512 20 30 DHEDMN C=CCN1C(=O)N=NC1SCC1CCC(C(F)(F)F)CC1 ZINC000349965768 1024776771 /nfs/dbraw/zinc/77/67/71/1024776771.db2.gz MKSCCSHTPZAVHC-UHFFFAOYSA-N 0 1 321.368 3.631 20 30 DHEDMN CN(CCOCc1ccccc1)Cc1cc(Cl)cc(C#N)c1 ZINC001168176721 1024824350 /nfs/dbraw/zinc/82/43/50/1024824350.db2.gz YBPXDWMULIETEN-UHFFFAOYSA-N 0 1 314.816 3.860 20 30 DHEDMN C=CCCCNC(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000279276043 1024830624 /nfs/dbraw/zinc/83/06/24/1024830624.db2.gz LACSUOSZTBEDDI-INIZCTEOSA-N 0 1 312.417 3.684 20 30 DHEDMN 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C=CCNC(=O)CN[C@@H](C)c1ccc(SC2CCCC2)cc1 ZINC000553929389 1033893955 /nfs/dbraw/zinc/89/39/55/1033893955.db2.gz LMSJHYNCMLZSKF-AWEZNQCLSA-N 0 1 318.486 3.674 20 30 DHEDMN C#CC[N@H+](Cc1ccc(OC)c(O)c1)[C@@H]1CCc2ccccc21 ZINC000127537584 1033934307 /nfs/dbraw/zinc/93/43/07/1033934307.db2.gz BYIXSBYQHGNCQN-GOSISDBHSA-N 0 1 307.393 3.524 20 30 DHEDMN C#CCN(Cc1ccc(OC)c(O)c1)[C@@H]1CCc2ccccc21 ZINC000127537584 1033934315 /nfs/dbraw/zinc/93/43/15/1033934315.db2.gz BYIXSBYQHGNCQN-GOSISDBHSA-N 0 1 307.393 3.524 20 30 DHEDMN C=CCC[C@H](NC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C)c1ccccc1 ZINC000879230199 1033959367 /nfs/dbraw/zinc/95/93/67/1033959367.db2.gz JXFLTADURIUAKK-FNHZYXHNSA-N 0 1 323.440 3.899 20 30 DHEDMN CCc1c(C)nc2sc(C#N)c(Nc3ccncc3)c2c1C ZINC001173882913 1033965022 /nfs/dbraw/zinc/96/50/22/1033965022.db2.gz WICNFNAQMDYNFB-UHFFFAOYSA-N 0 1 308.410 3.908 20 30 DHEDMN CC[C@H](NCc1ccc(C#N)s1)c1cccc([N+](=O)[O-])c1 ZINC000175051343 1033977128 /nfs/dbraw/zinc/97/71/28/1033977128.db2.gz 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CN(C)Cc1cccc(C(=O)/C=C\c2cccc3c2OCC3)c1 ZINC000899377958 1034616383 /nfs/dbraw/zinc/61/63/83/1034616383.db2.gz KLAUBSYBJAHTJJ-KTKRTIGZSA-N 0 1 307.393 3.579 20 30 DHEDMN CC(=NNc1ccccn1)c1cc(Br)cc(C)c1O ZINC000777423077 1034619079 /nfs/dbraw/zinc/61/90/79/1034619079.db2.gz BYTPYQUEUHKDKV-UHFFFAOYSA-N 0 1 320.190 3.694 20 30 DHEDMN O=C(/C=C/c1cc(F)c(O)c(F)c1)c1ccnn1CC1CCC1 ZINC000899413602 1034651501 /nfs/dbraw/zinc/65/15/01/1034651501.db2.gz FPBUUOOEKPPJHQ-SNAWJCMRSA-N 0 1 318.323 3.563 20 30 DHEDMN C=CC[C@H]1CCN(CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC001174892083 1034664018 /nfs/dbraw/zinc/66/40/18/1034664018.db2.gz ZNCVAZQCNKEPMO-LBPRGKRZSA-N 0 1 312.335 3.542 20 30 DHEDMN C=CC[C@@H]1CCN(CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC001174892082 1034665240 /nfs/dbraw/zinc/66/52/40/1034665240.db2.gz ZNCVAZQCNKEPMO-GFCCVEGCSA-N 0 1 312.335 3.542 20 30 DHEDMN C=CCOCCN1Cc2cc(OC)ccc2C[C@@H]1c1ccccc1 ZINC000555380203 1034666989 /nfs/dbraw/zinc/66/69/89/1034666989.db2.gz FHCHGRHOERBDCR-OAQYLSRUSA-N 0 1 323.436 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302.418 3.597 20 30 DHEDMN C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)c1nnc[nH]1 ZINC000191449991 1034757828 /nfs/dbraw/zinc/75/78/28/1034757828.db2.gz OEEIXAYCPDOYGJ-GFCCVEGCSA-N 0 1 313.405 3.539 20 30 DHEDMN CC(=Cc1ccc(C(C)(C)C)s1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193611056 1034848751 /nfs/dbraw/zinc/84/87/51/1034848751.db2.gz WPLLMCKQJAIFER-CSKARUKUSA-N 0 1 313.426 3.870 20 30 DHEDMN CC(C)(C)OCc1ccccc1C(=O)Nc1cc(C#N)ccc1O ZINC000773523033 1035112427 /nfs/dbraw/zinc/11/24/27/1035112427.db2.gz KNXHLSNZGRPMAU-UHFFFAOYSA-N 0 1 324.380 3.831 20 30 DHEDMN C#CC[C@H]1CCN(Cc2csc(-c3ccccc3F)n2)C1 ZINC001176069671 1035189901 /nfs/dbraw/zinc/18/99/01/1035189901.db2.gz KEJLCYFZWCCMIO-ZDUSSCGKSA-N 0 1 300.402 3.794 20 30 DHEDMN C#CCN(Cc1nc2cc(Br)ccc2o1)C(C)(C)C ZINC001176281891 1035233509 /nfs/dbraw/zinc/23/35/09/1035233509.db2.gz QXQSLWSZWALZAS-UHFFFAOYSA-N 0 1 321.218 3.824 20 30 DHEDMN N#CC(C(=O)c1ccccc1[N+](=O)[O-])c1ccc2ccccc2n1 ZINC000042654298 1035273368 /nfs/dbraw/zinc/27/33/68/1035273368.db2.gz NPIOKDRURPYRSS-CQSZACIVSA-N 0 1 317.304 3.633 20 30 DHEDMN Cc1nn(-c2ccc(C)cc2)cc1CNCc1cccc(C#N)c1 ZINC001177217252 1035357464 /nfs/dbraw/zinc/35/74/64/1035357464.db2.gz GKGFSBGPKRJXTF-UHFFFAOYSA-N 0 1 316.408 3.651 20 30 DHEDMN CCCCCCC[C@@H](C)CNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000758158004 1035381244 /nfs/dbraw/zinc/38/12/44/1035381244.db2.gz PHYFWNVEUGDQMP-CABCVRRESA-N 0 1 305.466 3.942 20 30 DHEDMN C=CC[C@@H](NCc1cnn(-c2ccc(F)cc2)c1)c1ccncc1 ZINC001177884213 1035396811 /nfs/dbraw/zinc/39/68/11/1035396811.db2.gz BQYJVYXEBQXNOF-LJQANCHMSA-N 0 1 322.387 3.813 20 30 DHEDMN CN(CCCc1ccccc1)C(=O)C(C#N)Cc1cccs1 ZINC001177909655 1035397649 /nfs/dbraw/zinc/39/76/49/1035397649.db2.gz ONCZTLBCSZKALM-MRXNPFEDSA-N 0 1 312.438 3.522 20 30 DHEDMN C=CCN(C(=O)C(C#N)Cc1cccs1)C1CCCCC1 ZINC001177910741 1035397912 /nfs/dbraw/zinc/39/79/12/1035397912.db2.gz ANTRRCALHYWGLZ-CQSZACIVSA-N 0 1 302.443 3.778 20 30 DHEDMN Cc1cccc([C@@H](C)NC(=O)C(C#N)Cc2cccs2)c1C ZINC001177917130 1035398413 /nfs/dbraw/zinc/39/84/13/1035398413.db2.gz DHTBBGJCRQSPGG-HUUCEWRRSA-N 0 1 312.438 3.925 20 30 DHEDMN C[C@H](CCc1ccccc1)NC(=O)C(C#N)Cc1cccs1 ZINC001177916659 1035398969 /nfs/dbraw/zinc/39/89/69/1035398969.db2.gz YTJSMUOLKADJNZ-ZBFHGGJFSA-N 0 1 312.438 3.568 20 30 DHEDMN CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@H](C)C2CC2)cc1 ZINC000176532102 1035545144 /nfs/dbraw/zinc/54/51/44/1035545144.db2.gz KXIOXAPWGNGHCN-DYVFJYSZSA-N 0 1 312.413 3.723 20 30 DHEDMN C#C[C@H](N[C@H](C)c1ccc(SC(F)F)cc1)[C@H]1CCCO1 ZINC000775571440 1035569286 /nfs/dbraw/zinc/56/92/86/1035569286.db2.gz HFKIMCYNGVFOQE-BYCMXARLSA-N 0 1 311.397 3.833 20 30 DHEDMN C#CCN(Cc1cccc(F)c1OC(F)(F)F)CC1CC1 ZINC001180117623 1035601197 /nfs/dbraw/zinc/60/11/97/1035601197.db2.gz ZOOBTHJSDPPNLC-UHFFFAOYSA-N 0 1 301.283 3.570 20 30 DHEDMN CC(C)Cc1ccc([C@H](C)NC(=O)c2ccc(O)c(C#N)c2)cc1 ZINC001193519284 1035659639 /nfs/dbraw/zinc/65/96/39/1035659639.db2.gz VPSIXDWZXYBECQ-AWEZNQCLSA-N 0 1 322.408 3.953 20 30 DHEDMN Cc1ccccc1CC(C)(C)CNC(=O)c1ccc(O)c(C#N)c1 ZINC001193519016 1035660036 /nfs/dbraw/zinc/66/00/36/1035660036.db2.gz MARKBDUJIXYHEF-UHFFFAOYSA-N 0 1 322.408 3.571 20 30 DHEDMN CC(C)N1CCC[C@@H]1C(=O)Nc1cc2ccccc2cc1C#N ZINC000905918360 1035701862 /nfs/dbraw/zinc/70/18/62/1035701862.db2.gz YFBVCGZCYAAQMZ-GOSISDBHSA-N 0 1 307.397 3.523 20 30 DHEDMN CCC[C@@]1(COC)CCCN1Cc1ccc(Cl)cc1C#N ZINC001193870643 1035762634 /nfs/dbraw/zinc/76/26/34/1035762634.db2.gz HAZRYYGMQKKNFN-KRWDZBQOSA-N 0 1 306.837 3.993 20 30 DHEDMN Cc1cccc(NC2CCN(CC#Cc3ccccc3)CC2)c1 ZINC000192109994 1035763196 /nfs/dbraw/zinc/76/31/96/1035763196.db2.gz PGRKBQHFLOYTKB-UHFFFAOYSA-N 0 1 304.437 3.923 20 30 DHEDMN C=CCSc1ccccc1NC(=O)CN1CC[C@@H](C2CC2)C1 ZINC000491264841 1035781491 /nfs/dbraw/zinc/78/14/91/1035781491.db2.gz BJQLIQGNFZMCCX-OAHLLOKOSA-N 0 1 316.470 3.635 20 30 DHEDMN C=CCCC[C@@H](C)N(C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000540297849 1036030506 /nfs/dbraw/zinc/03/05/06/1036030506.db2.gz QPSVPXBMHJVFHI-CYBMUJFWSA-N 0 1 324.852 3.964 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C=CCCCCCN(C)CC(=O)N1c2ccccc2C[C@@H]1C ZINC000606902691 1040028058 /nfs/dbraw/zinc/02/80/58/1040028058.db2.gz QTUYXNJJFANAHU-INIZCTEOSA-N 0 1 300.446 3.642 20 30 DHEDMN CC[C@H](NCc1cccnc1N1CCCC1)c1ccc(C#N)cc1 ZINC000595064844 1040030400 /nfs/dbraw/zinc/03/04/00/1040030400.db2.gz HBVUZPCCWOAAPD-IBGZPJMESA-N 0 1 320.440 3.794 20 30 DHEDMN C[C@H](CC(=O)Nc1ccc(F)cc1)NCC1(C#N)CCCCC1 ZINC000595101622 1040066374 /nfs/dbraw/zinc/06/63/74/1040066374.db2.gz XYDNXGNJTGDKMM-CQSZACIVSA-N 0 1 317.408 3.606 20 30 DHEDMN COc1cc2c(cc1OC)[C@H](NCC1(C#N)CCCCC1)CC2 ZINC000595091344 1040077658 /nfs/dbraw/zinc/07/76/58/1040077658.db2.gz POGNWSDGEUNART-MRXNPFEDSA-N 0 1 314.429 3.755 20 30 DHEDMN CC[C@H](CC(F)F)CN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000595377686 1040126449 /nfs/dbraw/zinc/12/64/49/1040126449.db2.gz QNCJWAFVCAUMPP-NVXWUHKLSA-N 0 1 321.415 3.550 20 30 DHEDMN N#Cc1ccc(CCN2CCc3sc(Cl)cc3C2)cc1 ZINC000595562852 1040162904 /nfs/dbraw/zinc/16/29/04/1040162904.db2.gz MTFMMRWPMOPFOL-UHFFFAOYSA-N 0 1 302.830 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KWCBOSZBFSRWQA-UHFFFAOYSA-N 0 1 322.408 3.744 20 30 DHEDMN C[C@@H](NCc1cnccc1C(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000596117739 1040306451 /nfs/dbraw/zinc/30/64/51/1040306451.db2.gz IQXDEJRUPICVRT-SNVBAGLBSA-N 0 1 323.293 3.962 20 30 DHEDMN C[C@@H]1CCC[C@H](C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000173952667 1040469009 /nfs/dbraw/zinc/46/90/09/1040469009.db2.gz PYHKIFSOACKAKY-TYNCELHUSA-N 0 1 318.804 3.814 20 30 DHEDMN CCCCC[C@@H](C)CC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000173965439 1040472130 /nfs/dbraw/zinc/47/21/30/1040472130.db2.gz FQTPTPBWWHFTCA-GDBMZVCRSA-N 0 1 300.402 3.940 20 30 DHEDMN CCCN(Cc1c(C2CCC2)cnn1C)Cc1ccc(C#N)cc1 ZINC000596983896 1040618363 /nfs/dbraw/zinc/61/83/63/1040618363.db2.gz IYAKZBATROXZOU-UHFFFAOYSA-N 0 1 322.456 3.971 20 30 DHEDMN N#CC[C@@H]1CCCN(Cc2ccccc2OCc2cccnc2)C1 ZINC000597173333 1040674941 /nfs/dbraw/zinc/67/49/41/1040674941.db2.gz IXBSIQJGRCVGNS-KRWDZBQOSA-N 0 1 321.424 3.786 20 30 DHEDMN N#CC[C@@H]1CCCN(Cc2ccccc2OCc2ccccn2)C1 ZINC000597173235 1040675909 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C[C@H](CCC#N)CN1CCC[C@@H]1c1ccc(Br)cn1 ZINC000602688839 1041152680 /nfs/dbraw/zinc/15/26/80/1041152680.db2.gz AXMFZAMYJHMNBU-IUODEOHRSA-N 0 1 322.250 3.921 20 30 DHEDMN C[C@@H](CC#N)NCCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000602866932 1041295958 /nfs/dbraw/zinc/29/59/58/1041295958.db2.gz AENYLUZQUJSGHY-HNNXBMFYSA-N 0 1 323.396 3.699 20 30 DHEDMN C=CCN(Cc1ccc(Cl)s1)C[C@@H](O)CC(C)(C)C#N ZINC000598584768 1041348029 /nfs/dbraw/zinc/34/80/29/1041348029.db2.gz VEKWSZRHLQKJTM-LBPRGKRZSA-N 0 1 312.866 3.690 20 30 DHEDMN C=CCN(Cc1ccc(Cl)s1)C[C@H](O)CC(C)(C)C#N ZINC000598584767 1041348618 /nfs/dbraw/zinc/34/86/18/1041348618.db2.gz VEKWSZRHLQKJTM-GFCCVEGCSA-N 0 1 312.866 3.690 20 30 DHEDMN CC(C)(C#N)C[C@H](O)CN(Cc1ccco1)Cc1ccccc1 ZINC000598590265 1041350305 /nfs/dbraw/zinc/35/03/05/1041350305.db2.gz UHUSRDITEOZLHS-KRWDZBQOSA-N 0 1 312.413 3.583 20 30 DHEDMN CC(C)(C#N)C[C@@H](O)CN1CCCC[C@H]1c1ccc(F)cc1F ZINC000598599307 1041359105 /nfs/dbraw/zinc/35/91/05/1041359105.db2.gz ZNDUIQMBAKRBOR-PBHICJAKSA-N 0 1 322.399 3.793 20 30 DHEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1cc2ccccc2o1 ZINC000190606448 334956154 /nfs/dbraw/zinc/95/61/54/334956154.db2.gz ZMQOQLBLEFZTPF-HUUCEWRRSA-N 0 1 314.429 3.897 20 30 DHEDMN CC(C)(C)c1cc(NC(=O)c2ccc([N+](=O)[O-])o2)c(C#N)s1 ZINC000091208413 193018129 /nfs/dbraw/zinc/01/81/29/193018129.db2.gz KHOSMAXRCDUMPP-UHFFFAOYSA-N 0 1 319.342 3.671 20 30 DHEDMN C=CCc1cc(CN(C)[C@@H](C)c2cccnc2)cc(OC)c1O ZINC000183731579 335041121 /nfs/dbraw/zinc/04/11/21/335041121.db2.gz AVKWTPJHXMODRF-AWEZNQCLSA-N 0 1 312.413 3.717 20 30 DHEDMN N#CCc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cc1 ZINC000124415127 195639260 /nfs/dbraw/zinc/63/92/60/195639260.db2.gz USYCZCRANDTULA-UHFFFAOYSA-N 0 1 320.327 3.534 20 30 DHEDMN C[C@H](NC1(c2cccc(C#N)c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000272319912 130020256 /nfs/dbraw/zinc/02/02/56/130020256.db2.gz VTFVRILZYAKUQL-ZDUSSCGKSA-N 0 1 307.353 3.806 20 30 DHEDMN COc1cc(CNCc2cnc(CC(C)C)s2)ccc1C#N ZINC000353208213 131860048 /nfs/dbraw/zinc/86/00/48/131860048.db2.gz IRMADHVSZKGYEM-UHFFFAOYSA-N 0 1 315.442 3.512 20 30 DHEDMN C[C@@H](N[C@@H](C)c1nc2ccccc2n1C)c1ccc(C#N)cc1 ZINC000121842115 132159576 /nfs/dbraw/zinc/15/95/76/132159576.db2.gz CDMNIRGNUACABT-KGLIPLIRSA-N 0 1 304.397 3.857 20 30 DHEDMN Cc1cc2ncc([C@H](C)N[C@@H](C)c3ccc(C#N)cc3)c(C)n2n1 ZINC000121839319 132159878 /nfs/dbraw/zinc/15/98/78/132159878.db2.gz OHRLNYPQZBYWIO-KBPBESRZSA-N 0 1 319.412 3.630 20 30 DHEDMN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1nc2ccccc2n1C ZINC000121842267 132160712 /nfs/dbraw/zinc/16/07/12/132160712.db2.gz CDMNIRGNUACABT-UONOGXRCSA-N 0 1 304.397 3.857 20 30 DHEDMN C[C@@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H](C)S1 ZINC000530939064 331636898 /nfs/dbraw/zinc/63/68/98/331636898.db2.gz MYEULHGTYJUURU-CHWSQXEVSA-N 0 1 313.388 3.883 20 30 DHEDMN COc1ccc([C@@H](C)NCc2cc(C#N)ccc2F)cc1OC ZINC000128546153 332012778 /nfs/dbraw/zinc/01/27/78/332012778.db2.gz BJEYFKNXYDOOFJ-GFCCVEGCSA-N 0 1 314.360 3.565 20 30 DHEDMN C=CCN1CC[C@H](N(C)[C@@H](C)c2ccc(C(C)C)cc2)C1=O ZINC000410333824 332113938 /nfs/dbraw/zinc/11/39/38/332113938.db2.gz RLIBPVHBIPKCME-YJBOKZPZSA-N 0 1 300.446 3.590 20 30 DHEDMN C[C@@H]1[C@H](C)SCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000427021072 332165808 /nfs/dbraw/zinc/16/58/08/332165808.db2.gz IFBLHVAHNWYUIB-OLZOCXBDSA-N 0 1 313.388 3.883 20 30 DHEDMN C[C@H](NCc1ccc(OC(C)(C)C)nc1)c1cccc(C#N)c1 ZINC000181343084 332191139 /nfs/dbraw/zinc/19/11/39/332191139.db2.gz YMZWVHWJDOFBQT-AWEZNQCLSA-N 0 1 309.413 3.981 20 30 DHEDMN C[C@@H](c1ccc(Cl)cc1)N1CCN(CCC(C)(C)C#N)CC1 ZINC000536472985 332250275 /nfs/dbraw/zinc/25/02/75/332250275.db2.gz WLRAASOCWGLQSF-HNNXBMFYSA-N 0 1 319.880 3.958 20 30 DHEDMN C=CCC[C@@H](NCc1cc(-c2cnn(C)c2)no1)c1ccccc1 ZINC000185054936 335110495 /nfs/dbraw/zinc/11/04/95/335110495.db2.gz YXDGDAOPLZMVNA-GOSISDBHSA-N 0 1 322.412 3.872 20 30 DHEDMN C=C(Cl)COc1ccc([C@H](C)NCc2snnc2C)cc1 ZINC000293877297 335115426 /nfs/dbraw/zinc/11/54/26/335115426.db2.gz YOLLYJKYHJLHSV-NSHDSACASA-N 0 1 323.849 3.829 20 30 DHEDMN C[C@H](N(C)CC(=O)c1cn(CCC#N)c2ccccc12)C1(C)CC1 ZINC000177251880 333126183 /nfs/dbraw/zinc/12/61/83/333126183.db2.gz BIKKKDNCHZNEJG-HNNXBMFYSA-N 0 1 323.440 3.858 20 30 DHEDMN COC[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000181959611 333173965 /nfs/dbraw/zinc/17/39/65/333173965.db2.gz HGKIKIIYDYVGNM-KXBFYZLASA-N 0 1 310.397 3.627 20 30 DHEDMN CC[C@H](C)N(C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000108365795 333175890 /nfs/dbraw/zinc/17/58/90/333175890.db2.gz XCJFBDZEXXLEOF-KBPBESRZSA-N 0 1 319.474 3.750 20 30 DHEDMN N#C[C@H]1CCC[C@H](NCc2cc(F)ccc2Br)C1 ZINC000185788274 333214046 /nfs/dbraw/zinc/21/40/46/333214046.db2.gz NYMMOHVHIHDDBV-GWCFXTLKSA-N 0 1 311.198 3.760 20 30 DHEDMN C=CCOc1ccc(CN[C@@H](C)c2cnn(CC)c2)cc1Cl ZINC000294997608 335129476 /nfs/dbraw/zinc/12/94/76/335129476.db2.gz ZRRJYABYMSKJSC-ZDUSSCGKSA-N 0 1 319.836 3.972 20 30 DHEDMN C[C@@H](c1nc(-c2ccccc2)no1)N1CCC(CCC#N)CC1 ZINC000563066770 333264956 /nfs/dbraw/zinc/26/49/56/333264956.db2.gz AEDRFYSPWSJZSM-AWEZNQCLSA-N 0 1 310.401 3.813 20 30 DHEDMN N#C[C@H]1CCC[C@H](NCc2ccc(F)cc2Br)C1 ZINC000192719999 333292084 /nfs/dbraw/zinc/29/20/84/333292084.db2.gz VNADKZWRCXTYQA-GWCFXTLKSA-N 0 1 311.198 3.760 20 30 DHEDMN C=CC1CCN(CC(=O)Nc2c(C)cccc2C(C)C)CC1 ZINC000111256735 333328396 /nfs/dbraw/zinc/32/83/96/333328396.db2.gz JAXIKPPAYWZBSP-UHFFFAOYSA-N 0 1 300.446 3.955 20 30 DHEDMN C=CCC[C@H](O)CN[C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC000185977861 335155432 /nfs/dbraw/zinc/15/54/32/335155432.db2.gz CSFVNMIQARVYIC-UWVGGRQHSA-N 0 1 308.369 3.530 20 30 DHEDMN C=CCOc1ccc(C[N@@H+](C)CC[C@H]2CCCO2)cc1Cl ZINC000343466145 335167280 /nfs/dbraw/zinc/16/72/80/335167280.db2.gz IHVBNYOQDJWFMT-OAHLLOKOSA-N 0 1 309.837 3.906 20 30 DHEDMN COCC[C@@H](N[C@H](C)c1ccc(OCC#N)cc1)c1ccco1 ZINC000272577934 334037623 /nfs/dbraw/zinc/03/76/23/334037623.db2.gz QBQMXJPLHIAOHI-RHSMWYFYSA-N 0 1 314.385 3.610 20 30 DHEDMN N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000414634300 334048765 /nfs/dbraw/zinc/04/87/65/334048765.db2.gz BKXJDNJVLBYSKY-MOPGFXCFSA-N 0 1 320.392 3.657 20 30 DHEDMN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1nc2ccccc2n1C(F)F ZINC000274398565 334060797 /nfs/dbraw/zinc/06/07/97/334060797.db2.gz CZUGBYZDABGJBS-TUAOUCFPSA-N 0 1 304.344 3.774 20 30 DHEDMN CN(CCCCC(C)(C)C#N)Cc1nc(-c2cccs2)no1 ZINC000285153696 334146001 /nfs/dbraw/zinc/14/60/01/334146001.db2.gz ABERMCWFWBLMPE-UHFFFAOYSA-N 0 1 318.446 3.950 20 30 DHEDMN C[C@@H]1CN(Cc2ccccc2NCCC(C)(C)C#N)C[C@H](C)O1 ZINC000288729618 334161882 /nfs/dbraw/zinc/16/18/82/334161882.db2.gz NMPUAAQQFYZYBZ-IYBDPMFKSA-N 0 1 315.461 3.648 20 30 DHEDMN COc1ccc(Br)cc1CN(C)[C@H]1CC[C@H](C#N)C1 ZINC000293667165 334200318 /nfs/dbraw/zinc/20/03/18/334200318.db2.gz ZFQJRPCPRWEEFF-FZMZJTMJSA-N 0 1 323.234 3.582 20 30 DHEDMN C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(Br)cc1[O-] ZINC000296444735 334234080 /nfs/dbraw/zinc/23/40/80/334234080.db2.gz MNEQKGBLLMVZOE-MDZLAQPJSA-N 0 1 323.234 3.888 20 30 DHEDMN COC(=O)c1cccc(CN2CCC3(C2)CCCCC3)c1C#N ZINC000534470710 334268005 /nfs/dbraw/zinc/26/80/05/334268005.db2.gz UYMBCQPUNZUNHK-UHFFFAOYSA-N 0 1 312.413 3.501 20 30 DHEDMN N#Cc1cccc(CNCc2cc(F)cc(Br)c2)c1 ZINC000048625484 334295506 /nfs/dbraw/zinc/29/55/06/334295506.db2.gz KWKQZUMZDJEYLQ-UHFFFAOYSA-N 0 1 319.177 3.750 20 30 DHEDMN CCC1(CC)CN(C(=O)c2ccc(C#N)c(O)c2)c2ccccc21 ZINC000443058471 338442599 /nfs/dbraw/zinc/44/25/99/338442599.db2.gz NIWORYVXZSKWNM-UHFFFAOYSA-N 0 1 320.392 3.982 20 30 DHEDMN Cc1cc(C(C#N)C(=O)c2ccc(-c3cccs3)o2)nc(C)n1 ZINC000340875225 334392199 /nfs/dbraw/zinc/39/21/99/334392199.db2.gz LZYKTEVROLNGEC-LBPRGKRZSA-N 0 1 323.377 3.905 20 30 DHEDMN N#Cc1ccc(C(=O)Nc2scnc2-c2ccccc2)cc1O ZINC000188513122 334819210 /nfs/dbraw/zinc/81/92/10/334819210.db2.gz FBMDQFPNEWILEE-UHFFFAOYSA-N 0 1 321.361 3.640 20 30 DHEDMN COc1cc(CNCc2ccc(C#N)s2)ccc1OC(C)C ZINC000343280196 334911739 /nfs/dbraw/zinc/91/17/39/334911739.db2.gz ZZBFAQTWWBUJOR-UHFFFAOYSA-N 0 1 316.426 3.705 20 30 DHEDMN C=C(CNCc1ccc(Br)cn1)c1ccccc1 ZINC000343756634 335190949 /nfs/dbraw/zinc/19/09/49/335190949.db2.gz FMGWWNLDPSLFIY-UHFFFAOYSA-N 0 1 303.203 3.647 20 30 DHEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3cccn3C(C)C)[nH]c21 ZINC000344281995 335236016 /nfs/dbraw/zinc/23/60/16/335236016.db2.gz GHGKAUHKZOWYIG-CYBMUJFWSA-N 0 1 306.369 3.744 20 30 DHEDMN COc1cc(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)ccc1C ZINC000345383133 335321884 /nfs/dbraw/zinc/32/18/84/335321884.db2.gz UJKRBLYNPCOPGW-CQSZACIVSA-N 0 1 319.364 3.678 20 30 DHEDMN CCOc1cccc(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)c1 ZINC000345385464 335322116 /nfs/dbraw/zinc/32/21/16/335322116.db2.gz WITKSJLGXNCMFP-OAHLLOKOSA-N 0 1 319.364 3.760 20 30 DHEDMN COc1ccc(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)cc1F ZINC000345390198 335322725 /nfs/dbraw/zinc/32/27/25/335322725.db2.gz CYALEPAWTQEOPN-LBPRGKRZSA-N 0 1 323.327 3.509 20 30 DHEDMN N#CC(C(=O)c1coc(-c2ccccc2Cl)n1)c1ccccn1 ZINC000345667807 335344603 /nfs/dbraw/zinc/34/46/03/335344603.db2.gz UDYMFOPDZQBFFE-LBPRGKRZSA-N 0 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ZINC000330217947 336125692 /nfs/dbraw/zinc/12/56/92/336125692.db2.gz IYWIPOSJJCBCNR-QEJZJMRPSA-N 0 1 304.438 3.602 20 30 DHEDMN CC(C)(CO)[C@@H](NCc1ccc(C#N)c(F)c1)c1cccs1 ZINC000351984695 336185898 /nfs/dbraw/zinc/18/58/98/336185898.db2.gz YUNJAHLDIRDCQW-INIZCTEOSA-N 0 1 318.417 3.608 20 30 DHEDMN CC1(C)CCCN(C(=O)c2cc(C3CCCCC3)[nH]n2)[C@H]1C#N ZINC000333082345 336197813 /nfs/dbraw/zinc/19/78/13/336197813.db2.gz XKRZTIOUVYZFRY-INIZCTEOSA-N 0 1 314.433 3.612 20 30 DHEDMN CN(C)Cc1cc(CNc2cccc(F)c2C#N)ccc1F ZINC000301266843 336297684 /nfs/dbraw/zinc/29/76/84/336297684.db2.gz GRTUTMRRWXPXPM-UHFFFAOYSA-N 0 1 301.340 3.510 20 30 DHEDMN N#Cc1ccc(OCCNc2ccnc3cc(F)ccc32)cc1 ZINC000301471460 336308966 /nfs/dbraw/zinc/30/89/66/336308966.db2.gz TVUDZPWCRPWCSB-UHFFFAOYSA-N 0 1 307.328 3.736 20 30 DHEDMN N#Cc1cccc(C#N)c1NC[C@@H](c1ccco1)N1CCCCC1 ZINC000302438359 336358819 /nfs/dbraw/zinc/35/88/19/336358819.db2.gz MQXVBSUZWKMSSV-KRWDZBQOSA-N 0 1 320.396 3.662 20 30 DHEDMN Cc1ccc(S(=O)(=O)Nc2cc(C#N)ccc2C)c(Cl)c1 ZINC000063878542 336392703 /nfs/dbraw/zinc/39/27/03/336392703.db2.gz PETRTSOZUKDQFW-UHFFFAOYSA-N 0 1 320.801 3.629 20 30 DHEDMN Cn1cc(CN[C@H](CC(F)(F)F)c2ccccc2)cc1C#N ZINC000359957280 336695319 /nfs/dbraw/zinc/69/53/19/336695319.db2.gz HGSIBRXADQDDGC-OAHLLOKOSA-N 0 1 307.319 3.680 20 30 DHEDMN C=C(C)[C@@H](NCCC(=O)N1CCC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000360630734 336716647 /nfs/dbraw/zinc/71/66/47/336716647.db2.gz WKRUUVSODMZNCU-SCLBCKFNSA-N 0 1 322.399 3.573 20 30 DHEDMN COc1cc(CN2C[C@@H](C)C[C@H]2c2cccnc2)ccc1C#N ZINC000375587503 337013951 /nfs/dbraw/zinc/01/39/51/337013951.db2.gz YYLPJJVVFCEKST-KSSFIOAISA-N 0 1 307.397 3.545 20 30 DHEDMN COc1cc(C#N)ccc1CN1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000376532123 337036010 /nfs/dbraw/zinc/03/60/10/337036010.db2.gz RGCNZUWWEKSXAM-KBXCAEBGSA-N 0 1 307.397 3.545 20 30 DHEDMN C#CCOc1ccc(CN[C@@](C)(CC)c2nc(C)cs2)cc1 ZINC000174502186 337142265 /nfs/dbraw/zinc/14/22/65/337142265.db2.gz RFOTUBNVQALAJA-SFHVURJKSA-N 0 1 314.454 3.879 20 30 DHEDMN CCOc1ccc2c(c1)[C@@H](NCc1ccc(C#N)cc1)CCO2 ZINC000178143731 337162550 /nfs/dbraw/zinc/16/25/50/337162550.db2.gz SFRAWSKJUDTRQQ-SFHVURJKSA-N 0 1 308.381 3.570 20 30 DHEDMN CCn1nccc1CNCc1ccc(-c2ccccc2C#N)cc1 ZINC000180334881 337175874 /nfs/dbraw/zinc/17/58/74/337175874.db2.gz LALDULBNELHOLL-UHFFFAOYSA-N 0 1 316.408 3.731 20 30 DHEDMN C[C@H]1CCCN(CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000063308567 337277882 /nfs/dbraw/zinc/27/78/82/337277882.db2.gz SXNCNRLBMJNXDZ-INIZCTEOSA-N 0 1 323.440 3.860 20 30 DHEDMN C=C[C@@](C)(CC)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000189847452 337282813 /nfs/dbraw/zinc/28/28/13/337282813.db2.gz SFUJTHIMRCXVLQ-YJBOKZPZSA-N 0 1 304.434 3.525 20 30 DHEDMN C=C[C@](C)(CC)C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000189847469 337283036 /nfs/dbraw/zinc/28/30/36/337283036.db2.gz SFUJTHIMRCXVLQ-CRAIPNDOSA-N 0 1 304.434 3.525 20 30 DHEDMN N#CC(C(=O)c1ccc2ccccc2n1)c1cnc2ccccc2n1 ZINC000190912371 337291271 /nfs/dbraw/zinc/29/12/71/337291271.db2.gz XHNLSMQSCFAHET-CQSZACIVSA-N 0 1 324.343 3.668 20 30 DHEDMN Cc1nc(-c2ccccc2)ccc1C(=O)C(C#N)c1ccccn1 ZINC000193254313 337309499 /nfs/dbraw/zinc/30/94/99/337309499.db2.gz KFRJJQDGJJNIMJ-KRWDZBQOSA-N 0 1 313.360 3.942 20 30 DHEDMN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCCN1C1CC1 ZINC000584612393 337372377 /nfs/dbraw/zinc/37/23/77/337372377.db2.gz UTITUOFOYXGCIG-AWEZNQCLSA-N 0 1 324.877 3.543 20 30 DHEDMN Cc1ccc([C@@H](C)N(C)CC(=O)Nc2ccc(C#N)cc2)c(C)c1 ZINC000532930696 337393494 /nfs/dbraw/zinc/39/34/94/337393494.db2.gz OBTLSWCUGPNEMG-MRXNPFEDSA-N 0 1 321.424 3.807 20 30 DHEDMN C#CCCOc1ccc(CNC2(c3cccc(C#N)c3)CC2)cc1 ZINC000269628246 337637505 /nfs/dbraw/zinc/63/75/05/337637505.db2.gz SRCSHAVUUBNQPU-UHFFFAOYSA-N 0 1 316.404 3.739 20 30 DHEDMN C#CCOc1ccccc1CN[C@H](C)c1sccc1OC ZINC000274575620 337660227 /nfs/dbraw/zinc/66/02/27/337660227.db2.gz JQBHVKYBERQZSY-CYBMUJFWSA-N 0 1 301.411 3.620 20 30 DHEDMN C/C(=C\c1ccccc1)CN(C)Cc1cnc2ccc(C#N)cn12 ZINC000426372268 338029263 /nfs/dbraw/zinc/02/92/63/338029263.db2.gz NWYWXIAWRPAKTP-MHWRWJLKSA-N 0 1 316.408 3.741 20 30 DHEDMN C=CCC(C)(C)c1nc(-c2ccc(F)c(CN(C)C)c2)no1 ZINC000426401114 338030649 /nfs/dbraw/zinc/03/06/49/338030649.db2.gz NHHZNSXPMBJHRL-UHFFFAOYSA-N 0 1 303.381 3.791 20 30 DHEDMN N#CCCn1cc(C(=O)CN2CC[C@@H]3CCC[C@H]32)c2ccccc21 ZINC000426466953 338033042 /nfs/dbraw/zinc/03/30/42/338033042.db2.gz HOELEPBAMOKCKO-MAUKXSAKSA-N 0 1 321.424 3.612 20 30 DHEDMN C=CCOc1ccc(CN2CCC[C@](CC)(CO)C2)cc1Cl ZINC000428447099 338051975 /nfs/dbraw/zinc/05/19/75/338051975.db2.gz LEITTZLIRNOJTL-SFHVURJKSA-N 0 1 323.864 3.889 20 30 DHEDMN N#Cc1c(F)cccc1CN[C@@H]1CCC[C@@H]1OCc1ccccc1 ZINC000428957364 338066589 /nfs/dbraw/zinc/06/65/89/338066589.db2.gz SIVBQLLWPILZSU-UXHICEINSA-N 0 1 324.399 3.925 20 30 DHEDMN C[C@@H](c1cccc(C#N)c1)N1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429229429 338074010 /nfs/dbraw/zinc/07/40/10/338074010.db2.gz CRCVULREFKMTQQ-CVEARBPZSA-N 0 1 323.415 3.969 20 30 DHEDMN COc1cc(OC)c([C@H](C)NCC2(CC#N)CC2)cc1Cl ZINC000430743139 338113137 /nfs/dbraw/zinc/11/31/37/338113137.db2.gz NVYOODGDOFTCFX-NSHDSACASA-N 0 1 308.809 3.702 20 30 DHEDMN CC1(C)C[C@@]1(C#N)NC(=O)c1cc(Cl)c2ccccc2c1O ZINC000436810132 338288167 /nfs/dbraw/zinc/28/81/67/338288167.db2.gz WOMSPDBWRGLVMC-KRWDZBQOSA-N 0 1 314.772 3.621 20 30 DHEDMN N#Cc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c(OC(F)F)c1 ZINC000437902541 338324646 /nfs/dbraw/zinc/32/46/46/338324646.db2.gz GXAKAOLYZBUXDQ-ZFWWWQNUSA-N 0 1 306.356 3.924 20 30 DHEDMN N#Cc1ccc(CN2CCC[C@@H]3CCC[C@@H]32)c(OC(F)F)c1 ZINC000437902541 338324647 /nfs/dbraw/zinc/32/46/47/338324647.db2.gz GXAKAOLYZBUXDQ-ZFWWWQNUSA-N 0 1 306.356 3.924 20 30 DHEDMN CCCN(Cc1ccc(C#N)cc1Cl)C[C@H]1CCCCO1 ZINC000439434941 338369277 /nfs/dbraw/zinc/36/92/77/338369277.db2.gz FYFJWLMLOGFWAK-MRXNPFEDSA-N 0 1 306.837 3.993 20 30 DHEDMN COc1cc(CNCc2ccccc2N(C)C(C)C)ccc1C#N ZINC000440639914 338393802 /nfs/dbraw/zinc/39/38/02/338393802.db2.gz QWBDOKSUXYSABG-UHFFFAOYSA-N 0 1 323.440 3.701 20 30 DHEDMN Cc1cc(Br)c(CNCCCC#N)cc1Cl ZINC000449231633 338604744 /nfs/dbraw/zinc/60/47/44/338604744.db2.gz FAPVUSRDBQGVDI-UHFFFAOYSA-N 0 1 301.615 3.804 20 30 DHEDMN C=C[C@@H]1OCC[C@H]1NCc1nc(-c2ccccc2Cl)cs1 ZINC000451607118 338740243 /nfs/dbraw/zinc/74/02/43/338740243.db2.gz KAVUVYGEJYSDIQ-HIFRSBDPSA-N 0 1 320.845 3.897 20 30 DHEDMN Cc1c([C@@H](C)NCc2ccc(C#N)c(F)c2)cnn1C(C)(C)C ZINC000453384570 338835889 /nfs/dbraw/zinc/83/58/89/338835889.db2.gz NLDJUTFPNGUDHT-GFCCVEGCSA-N 0 1 314.408 3.808 20 30 DHEDMN C=C(CC)CNC(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000459081358 339013030 /nfs/dbraw/zinc/01/30/30/339013030.db2.gz QOXZMNMEPIATJF-INIZCTEOSA-N 0 1 312.417 3.684 20 30 DHEDMN CC[N@@H+](Cc1cnc(C2CC2)nc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000459309049 339020890 /nfs/dbraw/zinc/02/08/90/339020890.db2.gz SCNNMCOKTQPDNA-AWEZNQCLSA-N 0 1 306.413 3.809 20 30 DHEDMN CCN(Cc1cnc(C2CC2)nc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000459309049 339020891 /nfs/dbraw/zinc/02/08/91/339020891.db2.gz SCNNMCOKTQPDNA-AWEZNQCLSA-N 0 1 306.413 3.809 20 30 DHEDMN N#Cc1cccc([N+](=O)[O-])c1CN1CC[C@H](Cc2ccccc2)C1 ZINC000459339853 339022928 /nfs/dbraw/zinc/02/29/28/339022928.db2.gz MHJFEGNYDSJLKL-MRXNPFEDSA-N 0 1 321.380 3.531 20 30 DHEDMN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459595594 339037984 /nfs/dbraw/zinc/03/79/84/339037984.db2.gz XDQXQVZURONVAK-LIRRHRJNSA-N 0 1 314.429 3.673 20 30 DHEDMN CC(C)C[N@@H+](CC#Cc1cccc(Cl)c1)Cc1cnn(C)c1 ZINC000459597528 339038045 /nfs/dbraw/zinc/03/80/45/339038045.db2.gz QJMSGMWLZQCPSS-UHFFFAOYSA-N 0 1 315.848 3.583 20 30 DHEDMN CC(C)CN(CC#Cc1cccc(Cl)c1)Cc1cnn(C)c1 ZINC000459597528 339038046 /nfs/dbraw/zinc/03/80/46/339038046.db2.gz QJMSGMWLZQCPSS-UHFFFAOYSA-N 0 1 315.848 3.583 20 30 DHEDMN C=C[C@](C)(CC)C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000468013543 339251211 /nfs/dbraw/zinc/25/12/11/339251211.db2.gz HVTMAOJWNPTILH-CQSZACIVSA-N 0 1 322.206 3.866 20 30 DHEDMN C=CCOCCCN(C)Cc1cc(Br)ccc1F ZINC000470715117 339325761 /nfs/dbraw/zinc/32/57/61/339325761.db2.gz CAEJAWLWPIXZJM-UHFFFAOYSA-N 0 1 316.214 3.613 20 30 DHEDMN CO[C@]1(C)CCCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000470909185 339330594 /nfs/dbraw/zinc/33/05/94/339330594.db2.gz ONZNIQVIEXBEIJ-MRXNPFEDSA-N 0 1 311.347 3.558 20 30 DHEDMN CN(Cc1cc(C#N)ccc1F)[C@@H]1CCCN(c2ccccc2)C1 ZINC000471170000 339339289 /nfs/dbraw/zinc/33/92/89/339339289.db2.gz QRNICVRJUGHYDG-LJQANCHMSA-N 0 1 323.415 3.798 20 30 DHEDMN Cc1ccccc1[C@H](C)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000485687895 339709270 /nfs/dbraw/zinc/70/92/70/339709270.db2.gz OIYIJFNHNXXSSL-GHTZIAJQSA-N 0 1 319.452 3.939 20 30 DHEDMN C=CCC(C)(C)C(=O)N1CCN(Cc2ccccc2)[C@H](CC)C1 ZINC000499624652 340041401 /nfs/dbraw/zinc/04/14/01/340041401.db2.gz CWFDXKZAVZSHNI-GOSISDBHSA-N 0 1 314.473 3.712 20 30 DHEDMN C=CCC[C@@H](O)CN1Cc2cc(Br)ccc2C[C@H]1C ZINC000501418928 340080437 /nfs/dbraw/zinc/08/04/37/340080437.db2.gz MJTMKRPSUOFYDM-MLGOLLRUSA-N 0 1 324.262 3.523 20 30 DHEDMN C=CCCc1ccccc1NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000505059699 340160333 /nfs/dbraw/zinc/16/03/33/340160333.db2.gz AOEAINUZEBLRSI-RDJZCZTQSA-N 0 1 315.461 3.752 20 30 DHEDMN N#Cc1ccc(F)c(CN2CC[C@@H](COc3ccccc3)C2)c1 ZINC000505870237 340180318 /nfs/dbraw/zinc/18/03/18/340180318.db2.gz VALFJPVHCKPHKL-MRXNPFEDSA-N 0 1 310.372 3.598 20 30 DHEDMN C=C(C)CCN1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000509297403 340265606 /nfs/dbraw/zinc/26/56/06/340265606.db2.gz ZMHQRIQPOJCOEU-HNNXBMFYSA-N 0 1 310.235 3.789 20 30 DHEDMN CN(CCCOc1ccc(F)cc1)Cc1ccc(C#N)cc1F ZINC000509533863 340272571 /nfs/dbraw/zinc/27/25/71/340272571.db2.gz UJVRRIGHGJAUHJ-UHFFFAOYSA-N 0 1 316.351 3.737 20 30 DHEDMN CC(C)[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000303575747 340335108 /nfs/dbraw/zinc/33/51/08/340335108.db2.gz CNYLECZAYHHAGS-JKSUJKDBSA-N 0 1 313.445 3.643 20 30 DHEDMN C=C(C)CN(CCOc1cccc(C)c1)Cc1ccc(CO)o1 ZINC000512193641 340351724 /nfs/dbraw/zinc/35/17/24/340351724.db2.gz IRMJCGRBTXENKU-UHFFFAOYSA-N 0 1 315.413 3.537 20 30 DHEDMN CN(Cc1cccc(C#N)c1F)[C@H]1CCCN(c2ccccc2)C1 ZINC000512411289 340360865 /nfs/dbraw/zinc/36/08/65/340360865.db2.gz XHTIJKWRDNQDDE-IBGZPJMESA-N 0 1 323.415 3.798 20 30 DHEDMN C[C@H](O)C[C@@H]1CCCCCN1CC#Cc1ccccc1Cl ZINC000512415681 340361175 /nfs/dbraw/zinc/36/11/75/340361175.db2.gz NYZSUHZXBKQQAJ-RDJZCZTQSA-N 0 1 305.849 3.707 20 30 DHEDMN CCc1ccc(CN2CCN(CCCC(C)(C)C#N)CC2)s1 ZINC000174870318 340397917 /nfs/dbraw/zinc/39/79/17/340397917.db2.gz WVDCJPCGDZNRKQ-UHFFFAOYSA-N 0 1 319.518 3.758 20 30 DHEDMN CCN(CC(=O)c1cn(CCC#N)c2ccccc12)CC(C)C ZINC000174863333 340398023 /nfs/dbraw/zinc/39/80/23/340398023.db2.gz AKSQNFSYRZTTDT-UHFFFAOYSA-N 0 1 311.429 3.716 20 30 DHEDMN C=CCOc1cccc(CNCc2cc(F)ccc2OC)c1 ZINC000189210613 340530208 /nfs/dbraw/zinc/53/02/08/340530208.db2.gz IAVZSQISCGPTRD-UHFFFAOYSA-N 0 1 301.361 3.689 20 30 DHEDMN CC(C)CCOC1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000193108192 340572419 /nfs/dbraw/zinc/57/24/19/340572419.db2.gz OLLDNBHXQUOTFJ-UHFFFAOYSA-N 0 1 304.409 3.724 20 30 DHEDMN C=CCN(CC=C)C(=O)CN[C@H](CC)c1ccc(Cl)s1 ZINC000542555248 341013382 /nfs/dbraw/zinc/01/33/82/341013382.db2.gz BXXNFUPVNNIIEI-GFCCVEGCSA-N 0 1 312.866 3.643 20 30 DHEDMN C[C@H](NCc1ccc(F)cc1C#N)[C@H]1Oc2ccccc2[C@@H]1C ZINC000542620079 341015211 /nfs/dbraw/zinc/01/52/11/341015211.db2.gz QAZAHBBKLIOWRB-JMERFSKESA-N 0 1 310.372 3.740 20 30 DHEDMN CCc1ccc([C@@H](CO)NCC#Cc2ccccc2Cl)cc1 ZINC000542912943 341026103 /nfs/dbraw/zinc/02/61/03/341026103.db2.gz ZMORPJRDXSLEEU-LJQANCHMSA-N 0 1 313.828 3.577 20 30 DHEDMN C=C(C)C[C@@H](C)C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000545940640 341147480 /nfs/dbraw/zinc/14/74/80/341147480.db2.gz PSXROIIUZXELPI-CZUORRHYSA-N 0 1 308.853 3.661 20 30 DHEDMN C[C@H](NCc1cnn(Cc2ccccc2)c1)c1ccc(C#N)cc1 ZINC000075755828 341182016 /nfs/dbraw/zinc/18/20/16/341182016.db2.gz UMYJGXQMRRDMPV-INIZCTEOSA-N 0 1 316.408 3.654 20 30 DHEDMN C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1(C)C ZINC000546973596 341189320 /nfs/dbraw/zinc/18/93/20/341189320.db2.gz YPZZCZKUACKEBW-OAHLLOKOSA-N 0 1 322.456 3.827 20 30 DHEDMN C=CCCCN(C)CC(=O)Nc1ccccc1SCC=C ZINC000076734806 341213188 /nfs/dbraw/zinc/21/31/88/341213188.db2.gz QGBNCLGYFOUINN-UHFFFAOYSA-N 0 1 304.459 3.801 20 30 DHEDMN COc1cccc([C@@H]2CCCN2Cc2ccc(OC)c(C#N)c2)c1 ZINC000134950120 341227076 /nfs/dbraw/zinc/22/70/76/341227076.db2.gz ACFYCZUIFRQSEP-IBGZPJMESA-N 0 1 322.408 3.913 20 30 DHEDMN CN(CC#Cc1ccccc1Cl)[C@H](CCO)c1ccccc1 ZINC000135104420 341230954 /nfs/dbraw/zinc/23/09/54/341230954.db2.gz WEGOPCMWDGQMOR-LJQANCHMSA-N 0 1 313.828 3.747 20 30 DHEDMN C=CCSc1ccccc1NC(=O)CN(C)CCC1CC1 ZINC000135283271 341235350 /nfs/dbraw/zinc/23/53/50/341235350.db2.gz IJVREJUSNSSWSY-UHFFFAOYSA-N 0 1 304.459 3.635 20 30 DHEDMN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1[N+](=O)[O-] ZINC000554984649 341471472 /nfs/dbraw/zinc/47/14/72/341471472.db2.gz CBYXEQNSIROBLD-YVEFUNNKSA-N 0 1 307.353 3.805 20 30 DHEDMN CCc1ccc([C@@H](CO)N[C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000305869685 341534685 /nfs/dbraw/zinc/53/46/85/341534685.db2.gz ZYTJVYHCTCXOQY-BFUOFWGJSA-N 0 1 312.388 3.644 20 30 DHEDMN N#Cc1ccc(CN2CCC(Cc3ccccc3F)CC2)nc1 ZINC000565959621 341543797 /nfs/dbraw/zinc/54/37/97/341543797.db2.gz PVWHXHKEFORKGB-UHFFFAOYSA-N 0 1 309.388 3.547 20 30 DHEDMN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H](CCO)c1ccco1 ZINC000360872721 518196673 /nfs/dbraw/zinc/19/66/73/518196673.db2.gz NURMJICRKBOKFS-MSOLQXFVSA-N 0 1 310.397 3.632 20 30 DHEDMN COC(=O)[C@@H]1C[C@H](N[C@H](C)c2ccc(C#N)cc2)c2ccccc21 ZINC000363809884 523789408 /nfs/dbraw/zinc/78/94/08/523789408.db2.gz BDNVLELHNGZSFE-ZNOIYHFQSA-N 0 1 320.392 3.610 20 30 DHEDMN Cc1cc([C@H](C)NCC(=O)Nc2cccc(C#N)c2)c(C)s1 ZINC000182984926 525515429 /nfs/dbraw/zinc/51/54/29/525515429.db2.gz NUTWARWSROPHDR-LBPRGKRZSA-N 0 1 313.426 3.526 20 30 DHEDMN C[C@@H](NCc1ccc(OC(C)(C)C)nc1)c1ccc(C#N)cc1 ZINC000180010339 525528575 /nfs/dbraw/zinc/52/85/75/525528575.db2.gz SAXZXVRUCWKTSU-CQSZACIVSA-N 0 1 309.413 3.981 20 30 DHEDMN N#Cc1cccc(OC2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000104715978 526726039 /nfs/dbraw/zinc/72/60/39/526726039.db2.gz WPNNHWLJYFPXBC-UHFFFAOYSA-N 0 1 310.372 3.741 20 30 DHEDMN CC(C)C[N@@H+](Cc1cc(C(=O)[O-])co1)Cc1ccc(C#N)cc1 ZINC000736432945 599848995 /nfs/dbraw/zinc/84/89/95/599848995.db2.gz VYNOXTVYOQNCHG-UHFFFAOYSA-N 0 1 312.369 3.508 20 30 DHEDMN C=CC[N@@H+](Cc1cccs1)Cc1ccc(F)cc1C(=O)[O-] ZINC000736108612 600082862 /nfs/dbraw/zinc/08/28/62/600082862.db2.gz JMIAAQOMSPOJCP-UHFFFAOYSA-N 0 1 305.374 3.774 20 30 DHEDMN N#Cc1ccc([C@H]([NH2+]Cc2cc3ccccc3s2)C(=O)[O-])cc1 ZINC000739104852 600596273 /nfs/dbraw/zinc/59/62/73/600596273.db2.gz DOPJKEJFJINNOO-KRWDZBQOSA-N 0 1 322.389 3.688 20 30 DHEDMN C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000828183988 601318881 /nfs/dbraw/zinc/31/88/81/601318881.db2.gz MSUYALJWOXBSLG-ZMYBRWDISA-N 0 1 320.392 3.562 20 30 DHEDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000833416847 604950765 /nfs/dbraw/zinc/95/07/65/604950765.db2.gz GYKGNBAWOZPDIV-HNNXBMFYSA-N 0 1 319.832 3.514 20 30 DHEDMN C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(C(=O)[O-])s1 ZINC001589175304 956494113 /nfs/dbraw/zinc/49/41/13/956494113.db2.gz XLKFMYPYXQAQMH-NSHDSACASA-N 0 1 300.383 3.511 20 30 DHEDMN COc1cccc(C[C@@H]2CCC[N@H+]2Cc2cc(C#N)ccc2F)c1 ZINC000518993567 1013260095 /nfs/dbraw/zinc/26/00/95/1013260095.db2.gz LANYKJIWDKKHSM-SFHVURJKSA-N 0 1 324.399 3.913 20 30 DHEDMN CC(C)(C#N)C(=O)Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1 ZINC000519277155 1013299811 /nfs/dbraw/zinc/29/98/11/1013299811.db2.gz OQNLCGGUFOXDLD-UHFFFAOYSA-N 0 1 322.343 3.857 20 30 DHEDMN Cc1nn(C)c(CN[C@@H](CCCC#N)c2ccccc2)c1Cl ZINC000894607011 1013429270 /nfs/dbraw/zinc/42/92/70/1013429270.db2.gz MVGLQCMEWOVJNY-HNNXBMFYSA-N 0 1 316.836 3.907 20 30 DHEDMN C=CC[N@@H+](Cc1ccc(Cl)s1)CC1(CC(=O)OC)CC1 ZINC000440703224 1013614381 /nfs/dbraw/zinc/61/43/81/1013614381.db2.gz QNMUKVVZPDPDEV-UHFFFAOYSA-N 0 1 313.850 3.733 20 30 DHEDMN C=CCN(Cc1ccc(Cl)s1)CC1(CC(=O)OC)CC1 ZINC000440703224 1013614383 /nfs/dbraw/zinc/61/43/83/1013614383.db2.gz QNMUKVVZPDPDEV-UHFFFAOYSA-N 0 1 313.850 3.733 20 30 DHEDMN Cc1c(C(=O)/C=C\c2cc(F)c(O)c(F)c2)cccc1[N+](=O)[O-] ZINC000255073650 1013627600 /nfs/dbraw/zinc/62/76/00/1013627600.db2.gz NTWPJRPIYXNYQX-WAYWQWQTSA-N 0 1 319.263 3.783 20 30 DHEDMN COc1cc(/C=C\C(=O)c2ccc(O)cc2O)ccc1SC ZINC000255091044 1013684763 /nfs/dbraw/zinc/68/47/63/1013684763.db2.gz PVYVVJCSYQGQQZ-CLTKARDFSA-N 0 1 316.378 3.724 20 30 DHEDMN CCOc1cc(/C=C\C(=O)c2ccc(O)c(F)c2)ccc1OC ZINC000255098831 1013695184 /nfs/dbraw/zinc/69/51/84/1013695184.db2.gz UNTJTNZNNVPXNU-DAXSKMNVSA-N 0 1 316.328 3.835 20 30 DHEDMN N#Cc1cccc(Cl)c1N[C@H]1CCN(Cc2ccccc2)C1 ZINC000520307151 1013702801 /nfs/dbraw/zinc/70/28/01/1013702801.db2.gz BJBFNYNXISORSM-INIZCTEOSA-N 0 1 311.816 3.898 20 30 DHEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000328956696 1013806329 /nfs/dbraw/zinc/80/63/29/1013806329.db2.gz PDJHVQBJXLVMGR-BYNSBNAKSA-N 0 1 301.434 3.830 20 30 DHEDMN C[C@@H](C(=O)Nc1ncccn1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000328929602 1013808826 /nfs/dbraw/zinc/80/88/26/1013808826.db2.gz YQYMVGHHBLQNOW-DOTOQJQBSA-N 0 1 324.428 3.723 20 30 DHEDMN CCc1nc(C)c(C(=O)N[C@H](C)c2n[nH]c([C@@H](C)CC)n2)s1 ZINC000331185254 1013864969 /nfs/dbraw/zinc/86/49/69/1013864969.db2.gz YNJGVFAOQURYMK-WCBMZHEXSA-N 0 1 321.450 3.711 20 30 DHEDMN C[C@@H]1CCC[C@@]1(O)CNC(=O)c1c(O)cc(Cl)cc1Cl ZINC000331246886 1013870863 /nfs/dbraw/zinc/87/08/63/1013870863.db2.gz VLBQQIMKFQSPJW-XLKFXECMSA-N 0 1 318.200 3.555 20 30 DHEDMN C=CC[N@@H+](Cc1ccccc1)Cc1nc(=O)c2sccc2[n-]1 ZINC000027775975 1013918688 /nfs/dbraw/zinc/91/86/88/1013918688.db2.gz RYXKQDZPCOJRKK-UHFFFAOYSA-N 0 1 311.410 3.585 20 30 DHEDMN C=CC[N@H+](Cc1ccccc1)Cc1nc(=O)c2sccc2[n-]1 ZINC000027775975 1013918690 /nfs/dbraw/zinc/91/86/90/1013918690.db2.gz RYXKQDZPCOJRKK-UHFFFAOYSA-N 0 1 311.410 3.585 20 30 DHEDMN Cc1cc(C)cc(NC(=O)[C@@H](C)N[C@H](C)c2cccc(C#N)c2)c1 ZINC000610343393 1013952591 /nfs/dbraw/zinc/95/25/91/1013952591.db2.gz FATNTUNVESHFOG-HZPDHXFCSA-N 0 1 321.424 3.853 20 30 DHEDMN Cc1cccc(NC(=O)[C@H](C)N[C@@H](C)c2cccc(C#N)c2)c1C 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C=CC[N@H+](Cc1ccc(OCC(F)(F)F)c(OC)c1)C1CC1 ZINC000350264863 1014172690 /nfs/dbraw/zinc/17/26/90/1014172690.db2.gz LETKYZNVHQLZRS-UHFFFAOYSA-N 0 1 315.335 3.787 20 30 DHEDMN C=C(C)CN1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000441488307 1014253015 /nfs/dbraw/zinc/25/30/15/1014253015.db2.gz QHKQAIPZMRGITC-AWEZNQCLSA-N 0 1 323.278 3.704 20 30 DHEDMN COc1ccc(OC)c([C@H](C)NCc2ccc(F)c(C#N)c2)c1 ZINC000160576295 1014257391 /nfs/dbraw/zinc/25/73/91/1014257391.db2.gz OOEJXZXHGXRSOA-LBPRGKRZSA-N 0 1 314.360 3.565 20 30 DHEDMN C=C[C@H](CC)CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001125467994 1014306987 /nfs/dbraw/zinc/30/69/87/1014306987.db2.gz UZFVIBAMXOANCR-LZLYRXPVSA-N 0 1 300.446 3.540 20 30 DHEDMN N#Cc1ccc(CN[C@@H](c2ccccc2)C2CC2)c([N+](=O)[O-])c1 ZINC000574760013 1014386218 /nfs/dbraw/zinc/38/62/18/1014386218.db2.gz OKNAIQVZKVUBCB-SFHVURJKSA-N 0 1 307.353 3.707 20 30 DHEDMN Cc1nc2c(s1)[C@@H](NCc1ccc(C#N)cc1F)CCC2 ZINC000177860186 1014469393 /nfs/dbraw/zinc/46/93/93/1014469393.db2.gz 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CCN(Cc1cccc2c1OCO2)[C@@H](C)c1ccc(C#N)cc1 ZINC000179294344 1020244310 /nfs/dbraw/zinc/24/43/10/1020244310.db2.gz WZCGHKJZDHWQSV-AWEZNQCLSA-N 0 1 308.381 3.870 20 30 DHEDMN COc1cc(C(=O)[C@@H](C#N)c2nc(C3CC3)cs2)ccc1F ZINC000647378395 1020249575 /nfs/dbraw/zinc/24/95/75/1020249575.db2.gz WGBUYKVQYRZZLE-LLVKDONJSA-N 0 1 316.357 3.658 20 30 DHEDMN COc1cc(C(=O)C(C#N)c2nc(C3CC3)cs2)ccc1F ZINC000647378395 1020249581 /nfs/dbraw/zinc/24/95/81/1020249581.db2.gz WGBUYKVQYRZZLE-LLVKDONJSA-N 0 1 316.357 3.658 20 30 DHEDMN Cc1cc(C(=O)C(C#N)c2nc(C3CC3)cs2)ccc1F ZINC000647377861 1020256774 /nfs/dbraw/zinc/25/67/74/1020256774.db2.gz XQBZROFEKWZMMJ-GFCCVEGCSA-N 0 1 300.358 3.958 20 30 DHEDMN Cc1cc(C(=O)[C@@H](C#N)c2nc(C3CC3)cs2)ccc1F ZINC000647377861 1020256779 /nfs/dbraw/zinc/25/67/79/1020256779.db2.gz XQBZROFEKWZMMJ-GFCCVEGCSA-N 0 1 300.358 3.958 20 30 DHEDMN Cc1ccc2c(c1)CCC2N=Nc1ccc(Br)nc1 ZINC000732712164 1020269507 /nfs/dbraw/zinc/26/95/07/1020269507.db2.gz SCISYGVMPSQPOX-UHFFFAOYSA-N 0 1 316.202 3.915 20 30 DHEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H]2CCCC(C)(C)C2)c1 ZINC000179382369 1020333636 /nfs/dbraw/zinc/33/36/36/1020333636.db2.gz GYEBSLYWKSRNII-HOCLYGCPSA-N 0 1 312.413 3.859 20 30 DHEDMN C#CCOc1ccc(CN[C@H](C)c2cc(F)ccc2F)cc1 ZINC000733324142 1020368610 /nfs/dbraw/zinc/36/86/10/1020368610.db2.gz JQHSDRPDFJJCMY-CYBMUJFWSA-N 0 1 301.336 3.828 20 30 DHEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3cccc(C#N)c3C)[nH]c21 ZINC000338675948 1020390438 /nfs/dbraw/zinc/39/04/38/1020390438.db2.gz MDMIXERDAUZGKR-OAHLLOKOSA-N 0 1 314.348 3.542 20 30 DHEDMN C=CCCCCCNCc1c(Cl)cccc1S(C)(=O)=O ZINC000655826206 1020404969 /nfs/dbraw/zinc/40/49/69/1020404969.db2.gz SKFRQYCEJLAVML-UHFFFAOYSA-N 0 1 315.866 3.580 20 30 DHEDMN CN(Cc1c[nH]nc1-c1ccccc1F)Cc1ccc(C#N)cc1 ZINC000131182617 1020420498 /nfs/dbraw/zinc/42/04/98/1020420498.db2.gz MPSPEHMUBYFTJH-UHFFFAOYSA-N 0 1 320.371 3.719 20 30 DHEDMN CC(C)Oc1ccccc1CN=Nc1cnnc2ccccc12 ZINC000733748369 1020436930 /nfs/dbraw/zinc/43/69/30/1020436930.db2.gz 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Cc1cccc2nc([C@H](C#N)C(=O)CCc3ccsc3)[nH]c21 ZINC000735791890 1020768857 /nfs/dbraw/zinc/76/88/57/1020768857.db2.gz YWPSILQUEMHTLQ-CYBMUJFWSA-N 0 1 309.394 3.742 20 30 DHEDMN C[C@@H]1CO[C@@H](C(=O)C(C#N)c2nc3cc(Cl)ccc3s2)C1 ZINC000892538559 1020902679 /nfs/dbraw/zinc/90/26/79/1020902679.db2.gz NDFDACSSBLLWPG-MKPLZMMCSA-N 0 1 320.801 3.551 20 30 DHEDMN Fc1cc(F)c(N=NCc2c[nH]c(-c3ccccc3)n2)cc1F ZINC000741459775 1021008349 /nfs/dbraw/zinc/00/83/49/1021008349.db2.gz FEUYEXZCQRLSMF-UHFFFAOYSA-N 0 1 316.286 3.940 20 30 DHEDMN C=CCC[C@H](O)CN1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000472580934 1021075648 /nfs/dbraw/zinc/07/56/48/1021075648.db2.gz LYWYXOKASHCLSX-JKSUJKDBSA-N 0 1 311.878 3.757 20 30 DHEDMN CCC(CC)CN(CCC#N)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000104544109 1021145025 /nfs/dbraw/zinc/14/50/25/1021145025.db2.gz PFNSZPMBDMFZOF-UHFFFAOYSA-N 0 1 324.428 3.869 20 30 DHEDMN N#CCOc1cc(F)ccc1NCc1cnc(-c2ccccc2)[nH]1 ZINC000181548008 1021239266 /nfs/dbraw/zinc/23/92/66/1021239266.db2.gz 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ZINC000744028612 1021404843 /nfs/dbraw/zinc/40/48/43/1021404843.db2.gz MAKYHESFVBYUEG-UPJWGTAASA-N 0 1 318.804 3.814 20 30 DHEDMN C[C@@H]1CCC[C@@H](C(=O)C(C#N)C(=O)Nc2ccccc2Cl)C1 ZINC000744028611 1021405258 /nfs/dbraw/zinc/40/52/58/1021405258.db2.gz MAKYHESFVBYUEG-JHJVBQTASA-N 0 1 318.804 3.814 20 30 DHEDMN Cc1ccc([C@@H](C)C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)o1 ZINC000744161939 1021454044 /nfs/dbraw/zinc/45/40/44/1021454044.db2.gz XLUKDEORLHWUGD-OLZOCXBDSA-N 0 1 307.353 3.753 20 30 DHEDMN N#CC(C(=O)Cc1c[nH]c2cc(Cl)ccc12)c1ccccn1 ZINC000070032724 1021486988 /nfs/dbraw/zinc/48/69/88/1021486988.db2.gz FPWJSTOQUNBAJI-CQSZACIVSA-N 0 1 309.756 3.635 20 30 DHEDMN C[C@@H](CCC#N)CN1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000589820849 1021498170 /nfs/dbraw/zinc/49/81/70/1021498170.db2.gz BXTDLTLRWRBBJR-ZFWWWQNUSA-N 0 1 302.422 3.804 20 30 DHEDMN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cc(Cl)cc2c1OCC2 ZINC000618742236 1021503847 /nfs/dbraw/zinc/50/38/47/1021503847.db2.gz UKPHEIHKDZYEAC-SFHVURJKSA-N 0 1 324.811 3.924 20 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/nfs/dbraw/zinc/73/73/29/1021737329.db2.gz BHGULYUHUGCSAE-CZUORRHYSA-N 0 1 318.442 3.792 20 30 DHEDMN N#C[C@@H](C(=O)CCCc1cccnc1)c1nc(C2CC2)cs1 ZINC000851100054 1021738313 /nfs/dbraw/zinc/73/83/13/1021738313.db2.gz DUIXWRNTLVHGDU-AWEZNQCLSA-N 0 1 311.410 3.615 20 30 DHEDMN N#Cc1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)cc1O ZINC000190089063 1021820540 /nfs/dbraw/zinc/82/05/40/1021820540.db2.gz ZJZVRQSVBZHGNG-UHFFFAOYSA-N 0 1 322.364 3.838 20 30 DHEDMN COc1cc(CN2CCCO[C@H](c3ccccc3)C2)ccc1C#N ZINC000619674392 1021825799 /nfs/dbraw/zinc/82/57/99/1021825799.db2.gz AWRBOVUDESQIKH-FQEVSTJZSA-N 0 1 322.408 3.530 20 30 DHEDMN N#Cc1ccc(C2=CCN(Cc3ccc4c(n3)CCC4)CC2)cc1 ZINC000556773406 1021844984 /nfs/dbraw/zinc/84/49/84/1021844984.db2.gz IQGMUSACIMGCLW-UHFFFAOYSA-N 0 1 315.420 3.731 20 30 DHEDMN CC(C)c1nn(C)cc1C(=O)[C@H](C#N)c1ccc2ccccc2n1 ZINC000619752944 1021864185 /nfs/dbraw/zinc/86/41/85/1021864185.db2.gz GGENRMQUFYBCTE-CQSZACIVSA-N 0 1 318.380 3.582 20 30 DHEDMN CC(C)c1nn(C)cc1C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000619752944 1021864199 /nfs/dbraw/zinc/86/41/99/1021864199.db2.gz GGENRMQUFYBCTE-CQSZACIVSA-N 0 1 318.380 3.582 20 30 DHEDMN COc1cc(CNCc2ccc(C#N)c(Cl)c2)cc(OC)c1 ZINC000619748616 1021881773 /nfs/dbraw/zinc/88/17/73/1021881773.db2.gz JXIPVDPFWZETLR-UHFFFAOYSA-N 0 1 316.788 3.519 20 30 DHEDMN N#Cc1ccc(CNCc2cc3ccccc3[nH]c2=O)cc1Cl ZINC000619748939 1021884586 /nfs/dbraw/zinc/88/45/86/1021884586.db2.gz SYWXNLRKFHQESY-UHFFFAOYSA-N 0 1 323.783 3.755 20 30 DHEDMN COc1cccc(C(=O)C(C#N)c2nc(C(C)C)cs2)c1 ZINC000177756544 1021918712 /nfs/dbraw/zinc/91/87/12/1021918712.db2.gz MVPGHBZBKGGZMJ-CYBMUJFWSA-N 0 1 300.383 3.765 20 30 DHEDMN C#CCN1CCC(C(=O)N(CCCCC)CCCCC)CC1 ZINC000919967501 1021994408 /nfs/dbraw/zinc/99/44/08/1021994408.db2.gz WHXOFZHZNCWSOC-UHFFFAOYSA-N 0 1 306.494 3.541 20 30 DHEDMN C#C[C@@](C)(CC)NCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000852101176 1022074244 /nfs/dbraw/zinc/07/42/44/1022074244.db2.gz NOUOBLCNTFHVLG-FQEVSTJZSA-N 0 1 322.408 3.809 20 30 DHEDMN C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000852100057 1022075030 /nfs/dbraw/zinc/07/50/30/1022075030.db2.gz SKFDIHZIPWDXNU-DYVFJYSZSA-N 0 1 306.837 3.675 20 30 DHEDMN C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000852102470 1022075571 /nfs/dbraw/zinc/07/55/71/1022075571.db2.gz XXVGWBQRBLZRBG-ZUZCIYMTSA-N 0 1 313.228 3.712 20 30 DHEDMN Cc1ccc(C#N)c(N[C@H](C)c2nc3ccc(Cl)cc3[nH]2)n1 ZINC000766407220 1022096169 /nfs/dbraw/zinc/09/61/69/1022096169.db2.gz LDAPTVJPSUHXGR-SNVBAGLBSA-N 0 1 311.776 3.965 20 30 DHEDMN Cc1ccc(N2CCCN(CC#Cc3ccc(F)cc3)CC2)cc1 ZINC000746451325 1022104547 /nfs/dbraw/zinc/10/45/47/1022104547.db2.gz WJULOKPISVLGIA-UHFFFAOYSA-N 0 1 322.427 3.698 20 30 DHEDMN Fc1cc(F)cc(NN=Cc2ccc(N3CCCCC3)o2)c1 ZINC000920374635 1022111403 /nfs/dbraw/zinc/11/14/03/1022111403.db2.gz GOBKWCZGRYNOIC-UHFFFAOYSA-N 0 1 305.328 3.994 20 30 DHEDMN COC(=O)c1coc(C(C)=NNc2c(F)cccc2Cl)c1 ZINC000766454913 1022115684 /nfs/dbraw/zinc/11/56/84/1022115684.db2.gz NERVXHLZSGDIJW-UHFFFAOYSA-N 0 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CC[C@H](CC#N)N[C@H](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000184084431 1022695971 /nfs/dbraw/zinc/69/59/71/1022695971.db2.gz ZHSQPXQWAHFJGG-CHWSQXEVSA-N 0 1 307.825 3.647 20 30 DHEDMN CC(N=Nc1ccc(Cl)nc1)c1ccc(C(C)(C)O)cc1 ZINC000767381583 1022706620 /nfs/dbraw/zinc/70/66/20/1022706620.db2.gz ZKQDABDLLWQKIJ-UHFFFAOYSA-N 0 1 303.793 3.799 20 30 DHEDMN CN(c1ccccc1)C1CCN(Cc2cc(C#N)cs2)CC1 ZINC000092643370 1022752163 /nfs/dbraw/zinc/75/21/63/1022752163.db2.gz WWXRCMASLOFLTR-UHFFFAOYSA-N 0 1 311.454 3.721 20 30 DHEDMN COc1ccc(CN(C)Cc2cc(Cl)cc(C#N)c2)cc1 ZINC001237747103 1022754664 /nfs/dbraw/zinc/75/46/64/1022754664.db2.gz ACQKWDRFJQRCOQ-UHFFFAOYSA-N 0 1 300.789 3.852 20 30 DHEDMN C[C@H](Cc1ccc(C#N)cc1)N1CCc2ncc(Cl)cc2C1 ZINC001172311569 1033078265 /nfs/dbraw/zinc/07/82/65/1033078265.db2.gz UZNIRKFLISONQW-CYBMUJFWSA-N 0 1 311.816 3.596 20 30 DHEDMN Cn1c2ccccc2[nH]c1=NN=Cc1ccc(F)cc1Cl ZINC000767773465 1022804626 /nfs/dbraw/zinc/80/46/26/1022804626.db2.gz WMTADSJDHBZLQB-UHFFFAOYSA-N 0 1 302.740 3.812 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ZCLDVCPIXHHCEM-UHFFFAOYSA-N 0 1 309.131 3.845 20 30 DHEDMN CCOc1cccc(CN[C@H]2CCCc3cc(C#N)ccc32)n1 ZINC000418149944 1022977924 /nfs/dbraw/zinc/97/79/24/1022977924.db2.gz VJFRMWOXDINPGG-SFHVURJKSA-N 0 1 307.397 3.519 20 30 DHEDMN CCN(Cc1cc2c(cc[nH]c2=O)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000876596948 1033100785 /nfs/dbraw/zinc/10/07/85/1033100785.db2.gz AHPAQWLVHYOAKB-ZDUSSCGKSA-N 0 1 321.380 3.988 20 30 DHEDMN Cc1cc([C@H]2CCCN2Cc2ccc(O[C@H](C)C#N)cc2)on1 ZINC000768879949 1023046757 /nfs/dbraw/zinc/04/67/57/1023046757.db2.gz ZXXYTKSSBWMUTR-RHSMWYFYSA-N 0 1 311.385 3.611 20 30 DHEDMN CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CC23CCC3)cc1 ZINC000759832641 1023087130 /nfs/dbraw/zinc/08/71/30/1023087130.db2.gz GYFQJTSWHDRBGK-DLBZAZTESA-N 0 1 324.424 3.867 20 30 DHEDMN CC(=NNc1c(C)cccc1F)c1ccc(-n2cncn2)cc1 ZINC000769841016 1023226679 /nfs/dbraw/zinc/22/66/79/1023226679.db2.gz RNNYMDCUEWFAHS-UHFFFAOYSA-N 0 1 309.348 3.551 20 30 DHEDMN C#CCOc1ccccc1CN(CCC(F)(F)F)CC1CC1 ZINC000770301773 1023294302 /nfs/dbraw/zinc/29/43/02/1023294302.db2.gz CBJOLECNIXJZAL-UHFFFAOYSA-N 0 1 311.347 3.863 20 30 DHEDMN CCCCCCC[C@H](CC)N[C@@H](C(=O)OC)C1CCOCC1 ZINC001172345595 1033128759 /nfs/dbraw/zinc/12/87/59/1033128759.db2.gz AGYYMLOUNGANQY-DLBZAZTESA-N 0 1 313.482 3.683 20 30 DHEDMN N#CC(C(=O)CC1(CSc2ccccc2)CC1)c1ccncn1 ZINC000770918102 1023364811 /nfs/dbraw/zinc/36/48/11/1023364811.db2.gz OIBMRGYJIZUZQM-HNNXBMFYSA-N 0 1 323.421 3.615 20 30 DHEDMN CCN(Cc1ccccc1)c1ccc(C=NNC[C@H](C)C#N)cc1 ZINC000771106745 1023397850 /nfs/dbraw/zinc/39/78/50/1023397850.db2.gz HRQGWGLVNXTDAY-QGZVFWFLSA-N 0 1 320.440 3.796 20 30 DHEDMN Cc1cccc([C@@H]2CCCN2Cc2cc(C#N)ccc2N(C)C)n1 ZINC000876739111 1033131859 /nfs/dbraw/zinc/13/18/59/1033131859.db2.gz FKUJPXYGGMASRU-FQEVSTJZSA-N 0 1 320.440 3.665 20 30 DHEDMN C#C[C@H](NCc1ccc([C@H](C)C(F)(F)F)cc1)[C@H]1CCCO1 ZINC000828954496 1023544992 /nfs/dbraw/zinc/54/49/92/1023544992.db2.gz UQCLYCAZNABVCV-VBNZEHGJSA-N 0 1 311.347 3.623 20 30 DHEDMN C=CCCC1(CNC(=O)N[C@H]2CCCc3cn[nH]c32)CCCC1 ZINC000661530488 1023631740 /nfs/dbraw/zinc/63/17/40/1023631740.db2.gz WQMWSBWYHIVLCP-HNNXBMFYSA-N 0 1 316.449 3.613 20 30 DHEDMN CCCC(C)(C)CC(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000786304082 1023677981 /nfs/dbraw/zinc/67/79/81/1023677981.db2.gz NORXRXSCTLGWGO-OAHLLOKOSA-N 0 1 316.401 3.559 20 30 DHEDMN CCCC(C)(C)CC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000786307778 1023682613 /nfs/dbraw/zinc/68/26/13/1023682613.db2.gz BVHDSOBXYRFVTO-HNNXBMFYSA-N 0 1 300.402 3.859 20 30 DHEDMN C[C@@H](NCc1ccc(C#N)cn1)c1cc(Br)cs1 ZINC000786915310 1023737227 /nfs/dbraw/zinc/73/72/27/1023737227.db2.gz AFSTXOFSKJVXEQ-SECBINFHSA-N 0 1 322.231 3.628 20 30 DHEDMN C(=NNc1nccc2sccc21)c1ccc(-c2cc[nH]n2)o1 ZINC000788426426 1023880899 /nfs/dbraw/zinc/88/08/99/1023880899.db2.gz PUYXOFWVRVYGKD-UHFFFAOYSA-N 0 1 309.354 3.725 20 30 DHEDMN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1cccc(Cl)c1C ZINC000662078762 1023887806 /nfs/dbraw/zinc/88/78/06/1023887806.db2.gz GBLWRDSTNGCFKV-OKILXGFUSA-N 0 1 304.821 3.770 20 30 DHEDMN C#CCCCCCCN[C@@H](c1nccn1C)c1cccc(F)c1 ZINC000876873043 1033172556 /nfs/dbraw/zinc/17/25/56/1033172556.db2.gz UWLPGXGEMXCHMI-GOSISDBHSA-N 0 1 313.420 3.822 20 30 DHEDMN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@H]2CC2(C)C)cc1 ZINC000126228741 1033179276 /nfs/dbraw/zinc/17/92/76/1033179276.db2.gz YWBCWKYRQKXTGT-VBNZEHGJSA-N 0 1 312.413 3.894 20 30 DHEDMN CC1=C[C@H](C)C[C@@H](C=Nn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000789640690 1024137089 /nfs/dbraw/zinc/13/70/89/1024137089.db2.gz VCKHRMKCHXHFGI-WCQYABFASA-N 0 1 313.426 3.512 20 30 DHEDMN Cc1cccnc1N=NCc1c[nH]nc1-c1cccc(Cl)c1 ZINC000790191405 1024239734 /nfs/dbraw/zinc/23/97/34/1024239734.db2.gz UJGSRAYDOITKGT-UHFFFAOYSA-N 0 1 311.776 3.880 20 30 DHEDMN Cc1ccc[nH]c1=NN=C(CC1CCCCC1)c1ncccn1 ZINC000790193043 1024243334 /nfs/dbraw/zinc/24/33/34/1024243334.db2.gz PSVOQZLWYSBRLK-UHFFFAOYSA-N 0 1 309.417 3.967 20 30 DHEDMN O=C(/C=C/c1nccn1-c1ccccc1)c1cc(F)ccc1O ZINC000790222438 1024255645 /nfs/dbraw/zinc/25/56/45/1024255645.db2.gz QINTVLASERPMCD-CMDGGOBGSA-N 0 1 308.312 3.613 20 30 DHEDMN CC(=NNc1nccn1C)c1ccc(SCC(F)F)cc1 ZINC000790300430 1024275627 /nfs/dbraw/zinc/27/56/27/1024275627.db2.gz YSEDHUKJDXOBEF-UHFFFAOYSA-N 0 1 310.373 3.613 20 30 DHEDMN CC(=NNc1cccc(F)c1[N+](=O)[O-])c1c(F)cccc1F ZINC000790310740 1024282541 /nfs/dbraw/zinc/28/25/41/1024282541.db2.gz NHSUWDJAADCUQO-UHFFFAOYSA-N 0 1 309.247 3.848 20 30 DHEDMN C=CCC[C@H](NCc1ccn(C2CCCC2)n1)[C@@H]1CCCO1 ZINC000883207375 1024286965 /nfs/dbraw/zinc/28/69/65/1024286965.db2.gz LUCNGCCLZPUWHI-ROUUACIJSA-N 0 1 303.450 3.602 20 30 DHEDMN CCCCCCCCNC(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000790797264 1024377838 /nfs/dbraw/zinc/37/78/38/1024377838.db2.gz QJGIJARCKFNNMY-UHFFFAOYSA-N 0 1 320.481 3.968 20 30 DHEDMN COc1cccc2c1OCCC[C@@H]2NCc1ccc(C#N)c(C)c1 ZINC000883329875 1024383069 /nfs/dbraw/zinc/38/30/69/1024383069.db2.gz SUGMDMVFZLFCBN-SFHVURJKSA-N 0 1 322.408 3.879 20 30 DHEDMN C=C(C)C[C@@H](CO)N[C@H](C)c1csc(-c2ccccc2F)n1 ZINC000883392780 1024424224 /nfs/dbraw/zinc/42/42/24/1024424224.db2.gz ONMPPLZPTIIALI-OLZOCXBDSA-N 0 1 320.433 3.927 20 30 DHEDMN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CCCc2c[nH]nc21 ZINC000584695206 1024441676 /nfs/dbraw/zinc/44/16/76/1024441676.db2.gz SZYFPJGGTHWDJG-ROUUACIJSA-N 0 1 306.413 3.716 20 30 DHEDMN CCN(Cc1c(C)nn(CC)c1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000271071134 1024452575 /nfs/dbraw/zinc/45/25/75/1024452575.db2.gz FGVALEPXCDLTRW-HNNXBMFYSA-N 0 1 310.445 3.975 20 30 DHEDMN CC(C)[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(F)cn1 ZINC000453381411 1024483224 /nfs/dbraw/zinc/48/32/24/1024483224.db2.gz KYNKISKJVPPVER-QGZVFWFLSA-N 0 1 301.340 3.718 20 30 DHEDMN Cc1cc(C)c(NC(=O)CN[C@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000181978141 1024516371 /nfs/dbraw/zinc/51/63/71/1024516371.db2.gz NYGVWVVEVBKJSK-MRXNPFEDSA-N 0 1 321.424 3.773 20 30 DHEDMN COC(=O)c1oc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1C ZINC000271644206 1024556019 /nfs/dbraw/zinc/55/60/19/1024556019.db2.gz HSNOLOHTZSVHDB-QWHCGFSZSA-N 0 1 312.369 3.658 20 30 DHEDMN C=CCNC(=O)Nc1cccc2c1C[N@@H+](C)C[C@@H]2c1ccccc1 ZINC001202571359 1024574161 /nfs/dbraw/zinc/57/41/61/1024574161.db2.gz IJPHYUHJVPYQRK-QGZVFWFLSA-N 0 1 321.424 3.571 20 30 DHEDMN N#C[C@@H](C(=O)CCCC(F)(F)F)c1cnc2ccccc2n1 ZINC000792102527 1024625535 /nfs/dbraw/zinc/62/55/35/1024625535.db2.gz YECLOODOYAVQLJ-SNVBAGLBSA-N 0 1 307.275 3.539 20 30 DHEDMN N#CC(C(=O)Cc1c(F)cccc1F)c1nccc2ccccc21 ZINC000792108794 1024625554 /nfs/dbraw/zinc/62/55/54/1024625554.db2.gz ZEUKWQFFDXWHIO-HNNXBMFYSA-N 0 1 322.314 3.932 20 30 DHEDMN N#CC(C(=O)CCc1nccs1)c1nccc2ccccc21 ZINC000792093010 1024630061 /nfs/dbraw/zinc/63/00/61/1024630061.db2.gz GMEPQGXVZDXUPR-AWEZNQCLSA-N 0 1 307.378 3.500 20 30 DHEDMN N#C[C@@H](C(=O)[C@H]1COc2ccccc21)c1nccc2ccccc21 ZINC000792094967 1024630951 /nfs/dbraw/zinc/63/09/51/1024630951.db2.gz RCYCGINHVSMHJV-SJORKVTESA-N 0 1 314.344 3.587 20 30 DHEDMN N#CC(C(=O)Cc1cccc(F)c1F)c1nccc2ccccc21 ZINC000792095932 1024631267 /nfs/dbraw/zinc/63/12/67/1024631267.db2.gz YKKQSYBBTDKDBG-OAHLLOKOSA-N 0 1 322.314 3.932 20 30 DHEDMN N#Cc1ccc(O)c(NC(=O)CCSCc2ccccc2)c1 ZINC000792275851 1024659748 /nfs/dbraw/zinc/65/97/48/1024659748.db2.gz LUSYKONXAHQFAR-UHFFFAOYSA-N 0 1 312.394 3.526 20 30 DHEDMN CC(=O)Nc1ccc([C@@H](C)NCc2ccc(C#N)cc2F)cc1 ZINC000182067841 1024729533 /nfs/dbraw/zinc/72/95/33/1024729533.db2.gz MYUSVKVDDWGBBU-GFCCVEGCSA-N 0 1 311.360 3.507 20 30 DHEDMN N#C[C@@H](C(=O)c1sccc1SC(F)F)c1ccccn1 ZINC000107408763 1024730306 /nfs/dbraw/zinc/73/03/06/1024730306.db2.gz OMBNDOLLUNYDIV-MRVPVSSYSA-N 0 1 310.350 3.948 20 30 DHEDMN N#CC(C(=O)c1sccc1SC(F)F)c1ccccn1 ZINC000107408763 1024730311 /nfs/dbraw/zinc/73/03/11/1024730311.db2.gz OMBNDOLLUNYDIV-MRVPVSSYSA-N 0 1 310.350 3.948 20 30 DHEDMN CO[C@@H]1C[C@H](N(C)Cc2ccc(Cl)cc2C#N)C12CCC2 ZINC001170325426 1024744209 /nfs/dbraw/zinc/74/42/09/1024744209.db2.gz ZZQVJWUJLGUAMM-JKSUJKDBSA-N 0 1 304.821 3.601 20 30 DHEDMN CCCCOC1CN(C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170389294 1024762197 /nfs/dbraw/zinc/76/21/97/1024762197.db2.gz QPMFEFQDAQFXHY-UHFFFAOYSA-N 0 1 312.457 3.891 20 30 DHEDMN C[C@H](NCc1cccc(C#N)n1)c1cccc(OC(F)(F)F)c1 ZINC000877093900 1033238670 /nfs/dbraw/zinc/23/86/70/1033238670.db2.gz MMKLEGIOSXUTGP-NSHDSACASA-N 0 1 321.302 3.703 20 30 DHEDMN Cc1cccnc1NN=C(C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000793050538 1024868981 /nfs/dbraw/zinc/86/89/81/1024868981.db2.gz BEMVNBDBBAMVDH-AWEZNQCLSA-N 0 1 313.376 3.772 20 30 DHEDMN C=CC[C@H](C)NCc1csc(COc2ccc(OC)cc2)n1 ZINC000116926432 1024874479 /nfs/dbraw/zinc/87/44/79/1024874479.db2.gz CJPDXZNPMSTTBR-ZDUSSCGKSA-N 0 1 318.442 3.785 20 30 DHEDMN Cc1cccc(-c2n[nH]cc2C=NNc2cccc(Cl)n2)c1 ZINC000793176105 1024923843 /nfs/dbraw/zinc/92/38/43/1024923843.db2.gz YZXVXRVPWXFFEW-UHFFFAOYSA-N 0 1 311.776 3.880 20 30 DHEDMN S=C1N=CC(c2ccc(NCC#Cc3ccccc3)cc2)N1 ZINC001170427515 1024930295 /nfs/dbraw/zinc/93/02/95/1024930295.db2.gz VHAHVSDKUIOEQU-UHFFFAOYSA-N 0 1 305.406 3.829 20 30 DHEDMN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCOc3ccc(F)cc31)CC2 ZINC000353249104 1024999956 /nfs/dbraw/zinc/99/99/56/1024999956.db2.gz CLIPUWWPAJIUHN-QZTJIDSGSA-N 0 1 308.356 3.798 20 30 DHEDMN C=C(C)CN(Cc1cnn(CC(F)F)c1)Cc1ccccc1 ZINC000353263735 1025003335 /nfs/dbraw/zinc/00/33/35/1025003335.db2.gz VVGSEQSFVWQPFX-UHFFFAOYSA-N 0 1 305.372 3.727 20 30 DHEDMN CCC[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000120890499 1025062686 /nfs/dbraw/zinc/06/26/86/1025062686.db2.gz BKXRNWDZAGUGMD-HNNXBMFYSA-N 0 1 310.401 3.620 20 30 DHEDMN CCC[C@H]1CCCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000120890499 1025062696 /nfs/dbraw/zinc/06/26/96/1025062696.db2.gz BKXRNWDZAGUGMD-HNNXBMFYSA-N 0 1 310.401 3.620 20 30 DHEDMN FC(F)(F)c1ccc(C#CCNC[C@@H]2CC2(Cl)Cl)cc1 ZINC000877158053 1033258221 /nfs/dbraw/zinc/25/82/21/1033258221.db2.gz DGEXZVFAEAMHOD-LBPRGKRZSA-N 0 1 322.157 3.840 20 30 DHEDMN CC(C)(C#N)CC(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000353515735 1025101547 /nfs/dbraw/zinc/10/15/47/1025101547.db2.gz ZREDZCKUKOVCPC-UHFFFAOYSA-N 0 1 319.368 3.503 20 30 DHEDMN C=CCCC1(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)CC1 ZINC000353532436 1025113464 /nfs/dbraw/zinc/11/34/64/1025113464.db2.gz HKTBFUJZPCEKFP-INIZCTEOSA-N 0 1 316.445 3.669 20 30 DHEDMN N#Cc1ccc2c(c1)[C@H](NCc1ccc3c(n1)CCCC3)CC2 ZINC000353638364 1025169319 /nfs/dbraw/zinc/16/93/19/1025169319.db2.gz QVXJIDRWDDHUNO-HXUWFJFHSA-N 0 1 303.409 3.609 20 30 DHEDMN Cc1cc(C=NNc2cccc(C(F)(F)F)n2)cnc1Cl ZINC000760260848 1025224823 /nfs/dbraw/zinc/22/48/23/1025224823.db2.gz VSPWVMQTJQCLAR-UHFFFAOYSA-N 0 1 314.698 3.903 20 30 DHEDMN Cc1nc(Cl)cc(NN=Cc2cnc(CC(C)C)s2)n1 ZINC000772843831 1025258572 /nfs/dbraw/zinc/25/85/72/1025258572.db2.gz DTUMYMVHCLKMOE-UHFFFAOYSA-N 0 1 309.826 3.539 20 30 DHEDMN Cc1nc2ccc(NC(=O)C[C@@H](CC#N)c3ccccc3)cc2[nH]1 ZINC000353876418 1025276697 /nfs/dbraw/zinc/27/66/97/1025276697.db2.gz LANCZSXGOUQLIZ-OAHLLOKOSA-N 0 1 318.380 3.897 20 30 DHEDMN CC(C)c1csc(C(C#N)C(=O)c2cn(C)nc2C(C)C)n1 ZINC000353900371 1025285428 /nfs/dbraw/zinc/28/54/28/1025285428.db2.gz YAKOWMUAUQMKSG-LLVKDONJSA-N 0 1 316.430 3.613 20 30 DHEDMN N#Cc1sc(NCc2nc3ccc(Cl)cc3[nH]2)nc1Cl ZINC000804449355 1025307279 /nfs/dbraw/zinc/30/72/79/1025307279.db2.gz WRESLYLVDWCRKQ-UHFFFAOYSA-N 0 1 324.196 3.810 20 30 DHEDMN COc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)c(F)c1OC ZINC000885917594 1025403461 /nfs/dbraw/zinc/40/34/61/1025403461.db2.gz NPQDDVVOIWUDCR-LBPRGKRZSA-N 0 1 314.360 3.565 20 30 DHEDMN CCN(Cc1ccccc1Cl)C[C@H](O)CC1(C#N)CCC1 ZINC000885951446 1025417239 /nfs/dbraw/zinc/41/72/39/1025417239.db2.gz IQRFXBNJDINZKQ-OAHLLOKOSA-N 0 1 306.837 3.607 20 30 DHEDMN C=CC[C@@H](NCc1cc(C)cc(OC)c1OC)c1ccncc1 ZINC000885989084 1025429751 /nfs/dbraw/zinc/42/97/51/1025429751.db2.gz VUFUOQNUVKOTIO-QGZVFWFLSA-N 0 1 312.413 3.814 20 30 DHEDMN N#CC(C(=O)c1ccc(-c2ccc(F)cc2)s1)c1ccncn1 ZINC000354462616 1025434388 /nfs/dbraw/zinc/43/43/88/1025434388.db2.gz HXIRSDSDMCFYSI-ZDUSSCGKSA-N 0 1 323.352 3.834 20 30 DHEDMN N#C[C@H](C(=O)c1ccc(-c2ccc(F)cc2)s1)c1ccncn1 ZINC000354462616 1025434393 /nfs/dbraw/zinc/43/43/93/1025434393.db2.gz HXIRSDSDMCFYSI-ZDUSSCGKSA-N 0 1 323.352 3.834 20 30 DHEDMN N#CC(C(=O)c1ccc(-c2ccc(F)cc2)s1)c1ccncn1 ZINC000354462605 1025434600 /nfs/dbraw/zinc/43/46/00/1025434600.db2.gz HXIRSDSDMCFYSI-CYBMUJFWSA-N 0 1 323.352 3.834 20 30 DHEDMN N#C[C@@H](C(=O)c1ccc(-c2ccc(F)cc2)s1)c1ccncn1 ZINC000354462605 1025434611 /nfs/dbraw/zinc/43/46/11/1025434611.db2.gz HXIRSDSDMCFYSI-CYBMUJFWSA-N 0 1 323.352 3.834 20 30 DHEDMN O=C(Nc1nc(-c2cccc3ccccc32)n[nH]1)c1ccoc1 ZINC000042756523 1025448962 /nfs/dbraw/zinc/44/89/62/1025448962.db2.gz UNVXBEIKOKTLBV-UHFFFAOYSA-N 0 1 304.309 3.854 20 30 DHEDMN C=CCCCCCN(C)CC(=O)Nc1cc(C)ccc1OC ZINC000150895637 1025483012 /nfs/dbraw/zinc/48/30/12/1025483012.db2.gz ZNMBZAJSPQISKN-UHFFFAOYSA-N 0 1 304.434 3.620 20 30 DHEDMN N#CC1(C[C@@H](O)CN2CCC[C@@H]2c2ccc(F)cc2F)CCC1 ZINC000886236906 1025567465 /nfs/dbraw/zinc/56/74/65/1025567465.db2.gz RFERQQUUKMKURM-RHSMWYFYSA-N 0 1 320.383 3.547 20 30 DHEDMN CSc1ccc(CNCc2cnc(C3CC3)s2)cc1C#N ZINC000886276963 1025577267 /nfs/dbraw/zinc/57/72/67/1025577267.db2.gz BOCJQIMFDABKCK-UHFFFAOYSA-N 0 1 315.467 3.904 20 30 DHEDMN CSc1ccc(CNCc2cnn(C(C)(C)C)c2)cc1C#N ZINC000886278758 1025580850 /nfs/dbraw/zinc/58/08/50/1025580850.db2.gz IJDGKMDVLRGEKF-UHFFFAOYSA-N 0 1 314.458 3.521 20 30 DHEDMN C[C@@H](NCc1ccc(C#N)cc1)c1ccc(Br)cn1 ZINC000355523487 1025757015 /nfs/dbraw/zinc/75/70/15/1025757015.db2.gz DIXCUFVOMMGMRR-LLVKDONJSA-N 0 1 316.202 3.567 20 30 DHEDMN CSc1ccc(CN[C@H](C)c2cnn(C(C)C)c2)cc1C#N ZINC000886688335 1025789714 /nfs/dbraw/zinc/78/97/14/1025789714.db2.gz PKRDTYQITBXVHD-CYBMUJFWSA-N 0 1 314.458 3.908 20 30 DHEDMN N#Cc1cccc(C2(N[C@@H]3CCc4nc(Cl)ccc43)CC2)c1 ZINC000806154981 1025813755 /nfs/dbraw/zinc/81/37/55/1025813755.db2.gz KZIAEXBNVLAOKE-MRXNPFEDSA-N 0 1 309.800 3.873 20 30 DHEDMN CN(CCC#N)c1ccc(CNC2(c3ccccc3F)CC2)cc1 ZINC000076766817 1025882343 /nfs/dbraw/zinc/88/23/43/1025882343.db2.gz UIOXSBXNIJPTSY-UHFFFAOYSA-N 0 1 323.415 3.954 20 30 DHEDMN CSC[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000356128805 1025958728 /nfs/dbraw/zinc/95/87/28/1025958728.db2.gz AXJOQFKWWJCCDV-CYBMUJFWSA-N 0 1 314.376 3.904 20 30 DHEDMN CSC[C@H]1CCCN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000356128805 1025958734 /nfs/dbraw/zinc/95/87/34/1025958734.db2.gz AXJOQFKWWJCCDV-CYBMUJFWSA-N 0 1 314.376 3.904 20 30 DHEDMN C=CCCCN(C)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000093350946 1026116111 /nfs/dbraw/zinc/11/61/11/1026116111.db2.gz OPLUQOVFSPAENR-UHFFFAOYSA-N 0 1 308.332 3.930 20 30 DHEDMN N#Cc1ccc(C2CCN(Cc3cnccc3Cl)CC2)cc1 ZINC001137239022 1026131141 /nfs/dbraw/zinc/13/11/41/1026131141.db2.gz CZIFAELNILOJIP-UHFFFAOYSA-N 0 1 311.816 3.986 20 30 DHEDMN COCCOCc1ccc(CN=Nc2ccc(F)cc2F)cc1 ZINC000807942685 1026156275 /nfs/dbraw/zinc/15/62/75/1026156275.db2.gz CURISLUBBILDHW-UHFFFAOYSA-N 0 1 320.339 3.574 20 30 DHEDMN Cc1cc(NCc2cc(Cl)cc(Cl)c2O)cc(C#N)n1 ZINC000808090273 1026202190 /nfs/dbraw/zinc/20/21/90/1026202190.db2.gz WWUUGVRUJUVFDN-UHFFFAOYSA-N 0 1 308.168 3.886 20 30 DHEDMN C#CCCOc1ccc(CN[C@H]2c3ccccc3O[C@@H]2C)cc1 ZINC000808443496 1026288138 /nfs/dbraw/zinc/28/81/38/1026288138.db2.gz FQVDIAAKIOPBSS-FOIQADDNSA-N 0 1 307.393 3.701 20 30 DHEDMN Cc1cc(C#N)ccc1CN[C@@H](Cn1cccn1)c1ccccc1 ZINC000614403574 1026299509 /nfs/dbraw/zinc/29/95/09/1026299509.db2.gz LKZWTFFUTNVFRZ-FQEVSTJZSA-N 0 1 316.408 3.594 20 30 DHEDMN COc1ccc2c(c1F)CC[C@@H]2NCc1cc(C#N)ccc1F ZINC000808706293 1026359044 /nfs/dbraw/zinc/35/90/44/1026359044.db2.gz GQXGHMGNFAMCRM-INIZCTEOSA-N 0 1 314.335 3.622 20 30 DHEDMN CC1(CC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)CCCC1 ZINC000808979466 1026425136 /nfs/dbraw/zinc/42/51/36/1026425136.db2.gz IVYDDEKJIOJWAR-AWEZNQCLSA-N 0 1 318.804 3.958 20 30 DHEDMN C[C@H](c1cccc(C(F)(F)F)c1)N(C[C@H](O)CC#N)C1CC1 ZINC000809573216 1026552416 /nfs/dbraw/zinc/55/24/16/1026552416.db2.gz DZIUEZGAHPSWTK-IAQYHMDHSA-N 0 1 312.335 3.505 20 30 DHEDMN C#Cc1ccc(CNCc2cccnc2OC2CCCC2)cc1 ZINC000809605203 1026561645 /nfs/dbraw/zinc/56/16/45/1026561645.db2.gz DCTCYPPEVZQAFF-UHFFFAOYSA-N 0 1 306.409 3.674 20 30 DHEDMN C#Cc1ccc(CNCc2cc3c(cc2OCC)C[C@@H](C)O3)cc1 ZINC000809602341 1026573480 /nfs/dbraw/zinc/57/34/80/1026573480.db2.gz WLEWQISGYFELGS-OAHLLOKOSA-N 0 1 321.420 3.680 20 30 DHEDMN C#Cc1ccc(CNCc2ccc(C)cc2OCCCOC)cc1 ZINC000809628453 1026577596 /nfs/dbraw/zinc/57/75/96/1026577596.db2.gz IRTOBWRZGRNHSI-UHFFFAOYSA-N 0 1 323.436 3.681 20 30 DHEDMN C#C[C@H](N[C@H]1CCO[C@H](C(C)C)C1)c1ccc(Cl)cc1F ZINC000809698738 1026586931 /nfs/dbraw/zinc/58/69/31/1026586931.db2.gz HFCZFABECRQYEZ-JQFCIGGWSA-N 0 1 309.812 3.947 20 30 DHEDMN C#C[C@H](CC)NCc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000809686426 1026593086 /nfs/dbraw/zinc/59/30/86/1026593086.db2.gz RGDPWSJVOUQLQV-OAHLLOKOSA-N 0 1 301.821 3.644 20 30 DHEDMN C#CCN(Cc1ccccc1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000809717685 1026603714 /nfs/dbraw/zinc/60/37/14/1026603714.db2.gz MGXJJOQCAFDOEU-QGZVFWFLSA-N 0 1 304.393 3.613 20 30 DHEDMN C#C[C@H](NCc1cnc(NC(=O)OC(C)(C)C)s1)C(C)(C)C ZINC000809782196 1026624363 /nfs/dbraw/zinc/62/43/63/1026624363.db2.gz JZDDNCMYDASLAK-LBPRGKRZSA-N 0 1 323.462 3.628 20 30 DHEDMN C[C@H](NCc1cccc(C#N)c1)c1ccc(Br)nc1 ZINC000810209030 1026719290 /nfs/dbraw/zinc/71/92/90/1026719290.db2.gz KIZWTJIVUDGWFZ-NSHDSACASA-N 0 1 316.202 3.567 20 30 DHEDMN C#CCC(C)(C)C(=O)O[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000810579459 1026792460 /nfs/dbraw/zinc/79/24/60/1026792460.db2.gz PECILYANLKGHPM-JTQLQIEISA-N 0 1 304.777 3.870 20 30 DHEDMN COc1ccc(OC)c([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000618803421 1026813430 /nfs/dbraw/zinc/81/34/30/1026813430.db2.gz ILGLVFJXMUZFAD-BFUOFWGJSA-N 0 1 322.408 3.914 20 30 DHEDMN C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1cc(C#N)cs1 ZINC000421371051 1026968131 /nfs/dbraw/zinc/96/81/31/1026968131.db2.gz ZXFHBPHPMQRULK-TZMCWYRMSA-N 0 1 320.458 3.562 20 30 DHEDMN C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1Cc1cc(C#N)cs1 ZINC000421371051 1026968138 /nfs/dbraw/zinc/96/81/38/1026968138.db2.gz ZXFHBPHPMQRULK-TZMCWYRMSA-N 0 1 320.458 3.562 20 30 DHEDMN Cc1nn(C(C)C)cc1CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000366974131 1027005569 /nfs/dbraw/zinc/00/55/69/1027005569.db2.gz QKPSCKFENRMYMG-UHFFFAOYSA-N 0 1 320.440 3.933 20 30 DHEDMN N#Cc1ccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000421880556 1027077418 /nfs/dbraw/zinc/07/74/18/1027077418.db2.gz OLVLIVZISRLHOR-INIZCTEOSA-N 0 1 313.382 3.695 20 30 DHEDMN O=C(/C=C/c1cnc(-c2ccccn2)s1)c1ccccc1O ZINC000156601407 1027131512 /nfs/dbraw/zinc/13/15/12/1027131512.db2.gz FCVCTCCUAFHCNG-CMDGGOBGSA-N 0 1 308.362 3.807 20 30 DHEDMN O=C(C=Cc1c[nH]nc1-c1ccccc1F)c1ccc(O)cc1O ZINC000156622500 1027133515 /nfs/dbraw/zinc/13/35/15/1027133515.db2.gz JKGISEVOPNQKRA-VMPITWQZSA-N 0 1 324.311 3.523 20 30 DHEDMN C[C@@H](NCc1ccc(C#N)cn1)c1ccccc1C(F)(F)F ZINC000562043402 1027199498 /nfs/dbraw/zinc/19/94/98/1027199498.db2.gz WAROOXSUHCORCR-LLVKDONJSA-N 0 1 305.303 3.823 20 30 DHEDMN CC(=NNc1ccc(C(F)(F)F)cn1)c1csc(C)n1 ZINC000812382016 1027264722 /nfs/dbraw/zinc/26/47/22/1027264722.db2.gz BHOJVXJUZHGDMA-UHFFFAOYSA-N 0 1 300.309 3.701 20 30 DHEDMN 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C=CCc1cc(CN(C)[C@@H](C)c2ccccn2)cc(OC)c1O ZINC000183679860 335036976 /nfs/dbraw/zinc/03/69/76/335036976.db2.gz QLKVOHRATKEIQM-AWEZNQCLSA-N 0 1 312.413 3.717 20 30 DHEDMN C=C(C)[C@H](NCCO[C@@H]1CCCCO1)c1ccc(F)c(F)c1 ZINC000193123921 335043243 /nfs/dbraw/zinc/04/32/43/335043243.db2.gz PIIOWPAPUXIWAT-SJORKVTESA-N 0 1 311.372 3.715 20 30 DHEDMN C[C@@H](NCc1ccnc(OC(F)F)c1)c1ccc(C#N)c(F)c1 ZINC000284293018 131067864 /nfs/dbraw/zinc/06/78/64/131067864.db2.gz IFVOWDUQZZMVOX-SNVBAGLBSA-N 0 1 321.302 3.545 20 30 DHEDMN C=CCC[C@H](O)CN[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000184537774 335077926 /nfs/dbraw/zinc/07/79/26/335077926.db2.gz DYNDGXABHAFXRC-HIFRSBDPSA-N 0 1 302.443 3.788 20 30 DHEDMN C#CCOc1ccccc1CN[C@H]1CCCc2c(O)cccc21 ZINC000291120068 335081241 /nfs/dbraw/zinc/08/12/41/335081241.db2.gz FYOTVLLBBKVCBJ-SFHVURJKSA-N 0 1 307.393 3.571 20 30 DHEDMN CCCOc1cc(C)ccc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000190766094 335088699 /nfs/dbraw/zinc/08/86/99/335088699.db2.gz IPGXYOFLMCKMEY-UHFFFAOYSA-N 0 1 310.353 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LLFQHWQHERSVNW-KUHUBIRLSA-N 0 1 311.429 3.537 20 30 DHEDMN C=CCOc1ccc(CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1OC ZINC000292808283 335095190 /nfs/dbraw/zinc/09/51/90/335095190.db2.gz OIBXRFBFNIHILH-SJORKVTESA-N 0 1 323.383 3.737 20 30 DHEDMN C=C(C)[C@@H](NCc1n[nH]c(C(C)(C)C)n1)c1ccc(F)c(F)c1 ZINC000292859605 335096146 /nfs/dbraw/zinc/09/61/46/335096146.db2.gz GRSUOOPBKMUFSY-OAHLLOKOSA-N 0 1 320.387 3.787 20 30 DHEDMN CCCCN(C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000108355806 332271756 /nfs/dbraw/zinc/27/17/56/332271756.db2.gz HZJZLBMHQVALGX-AWEZNQCLSA-N 0 1 319.474 3.751 20 30 DHEDMN N#C[C@H](c1cccc(Cl)c1)N1CCN(CCCCCF)CC1 ZINC000560196017 332318764 /nfs/dbraw/zinc/31/87/64/332318764.db2.gz IOBWSOLRQCVZQZ-QGZVFWFLSA-N 0 1 323.843 3.662 20 30 DHEDMN CC(C)(CNCc1nc(C#N)cs1)c1ccc(Cl)cc1 ZINC000583385893 332378877 /nfs/dbraw/zinc/37/88/77/332378877.db2.gz YGGTWTVSHDDFPZ-UHFFFAOYSA-N 0 1 305.834 3.736 20 30 DHEDMN N#CC1(CCN2CCC(C#N)(c3ccccn3)CC2)CCCCC1 ZINC000560708149 332379672 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COc1cccc(-c2c[nH]c([C@H]3CCCN3CCCCC#N)n2)c1 ZINC000364892631 333332804 /nfs/dbraw/zinc/33/28/04/333332804.db2.gz LHGXXRJYAQCPBQ-GOSISDBHSA-N 0 1 324.428 3.916 20 30 DHEDMN CCC(N)=NOCc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000270086393 334007370 /nfs/dbraw/zinc/00/73/70/334007370.db2.gz NSDBDBYDXHDNCV-UHFFFAOYSA-N 0 1 313.279 3.559 20 30 DHEDMN N#Cc1csc(CN2CC3(CCOCC3)[C@@H]2c2ccccc2)c1 ZINC000414555746 334016863 /nfs/dbraw/zinc/01/68/63/334016863.db2.gz MHFUGYZSGLUVQW-SFHVURJKSA-N 0 1 324.449 3.973 20 30 DHEDMN C=C1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000271174855 334019869 /nfs/dbraw/zinc/01/98/69/334019869.db2.gz SIQHRNCYQCMLQP-UHFFFAOYSA-N 0 1 306.413 3.616 20 30 DHEDMN COc1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)cc1OC ZINC000271913698 334028763 /nfs/dbraw/zinc/02/87/63/334028763.db2.gz FNSBSTGCVJGYQX-LBPRGKRZSA-N 0 1 314.360 3.565 20 30 DHEDMN CC1(C#N)CCN(Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000272504174 334035807 /nfs/dbraw/zinc/03/58/07/334035807.db2.gz DZPGCXWXPXTYAB-UHFFFAOYSA-N 0 1 321.424 3.786 20 30 DHEDMN Cc1csc([C@@H](NCc2ccc(OCC#N)cc2)C2CC2)n1 ZINC000273451218 334046790 /nfs/dbraw/zinc/04/67/90/334046790.db2.gz YBSMSYIERQZRKJ-INIZCTEOSA-N 0 1 313.426 3.595 20 30 DHEDMN N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000414634304 334048741 /nfs/dbraw/zinc/04/87/41/334048741.db2.gz BKXJDNJVLBYSKY-OALUTQOASA-N 0 1 320.392 3.657 20 30 DHEDMN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1nc2ccccc2n1C(F)F ZINC000274398562 334060836 /nfs/dbraw/zinc/06/08/36/334060836.db2.gz CZUGBYZDABGJBS-QJPTWQEYSA-N 0 1 304.344 3.774 20 30 DHEDMN N#C[C@@H]1CCC[C@@H](NCc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000278244901 334093997 /nfs/dbraw/zinc/09/39/97/334093997.db2.gz LXWPSRKTLBFMTC-HZPDHXFCSA-N 0 1 320.440 3.533 20 30 DHEDMN N#C[C@H]1CC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000278644831 334099122 /nfs/dbraw/zinc/09/91/22/334099122.db2.gz PHXAQDAPZBBCDH-BBRMVZONSA-N 0 1 323.362 3.520 20 30 DHEDMN N#CC1(CCCN2CCc3cc(Cl)ccc3C2)CCOCC1 ZINC000281493810 334126536 /nfs/dbraw/zinc/12/65/36/334126536.db2.gz 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ZINC000192161655 336020151 /nfs/dbraw/zinc/02/01/51/336020151.db2.gz AAPKLAPIBSNOQW-KRWDZBQOSA-N 0 1 313.332 3.846 20 30 DHEDMN C[C@@H](C(=O)Nc1ccc(Cl)cc1CC#N)N1CCCCCC1 ZINC000582227660 336029528 /nfs/dbraw/zinc/02/95/28/336029528.db2.gz SBHKJLNDLABBFB-ZDUSSCGKSA-N 0 1 319.836 3.609 20 30 DHEDMN Cn1nccc1-c1ccccc1CN(CCC#N)CC(C)(C)C ZINC000351396699 336032025 /nfs/dbraw/zinc/03/20/25/336032025.db2.gz LBQZEUATYUJAGH-UHFFFAOYSA-N 0 1 310.445 3.849 20 30 DHEDMN O=C(NC1CCC(C(=O)NCc2cnc[nH]2)CC1)C1CCCC1 ZINC000329743816 336076613 /nfs/dbraw/zinc/07/66/13/336076613.db2.gz QGOJBSLOPUVSBA-UHFFFAOYSA-N 0 1 318.421 3.572 20 30 DHEDMN CCO[C@H](CC(=O)N[C@H]1CCCc2cn[nH]c21)C1=CCCC1 ZINC000330162564 336119586 /nfs/dbraw/zinc/11/95/86/336119586.db2.gz UQALATGWOXJJFS-LSDHHAIUSA-N 0 1 303.406 3.649 20 30 DHEDMN CNC(=O)[C@@H]1CCC[C@@H]1NCc1csc(C2CCCC2)n1 ZINC000330252687 336130104 /nfs/dbraw/zinc/13/01/04/336130104.db2.gz OMOOTBWEWAMVDN-KGLIPLIRSA-N 0 1 307.463 3.645 20 30 DHEDMN C=CC[C@@H]1N(Cc2nc(-c3ccoc3)no2)CCCC1(C)C ZINC000332081876 336157614 /nfs/dbraw/zinc/15/76/14/336157614.db2.gz NDZKTCUUAYFOPF-AWEZNQCLSA-N 0 1 301.390 3.896 20 30 DHEDMN COc1ccc([C@@H]2CCN(Cc3ccc(F)cc3C#N)C2)cc1 ZINC000103142142 336239412 /nfs/dbraw/zinc/23/94/12/336239412.db2.gz RDFKIIQZFXUWJD-MRXNPFEDSA-N 0 1 310.372 3.695 20 30 DHEDMN CCN(CCC(=O)Nc1cccc2ccccc21)C[C@H](C)C#N ZINC000103469607 336241018 /nfs/dbraw/zinc/24/10/18/336241018.db2.gz RQOCZRKJIJQCCO-OAHLLOKOSA-N 0 1 309.413 3.650 20 30 DHEDMN C=C(C)CN(Cc1ccc(CO)o1)C[C@@H](OC)c1ccccc1 ZINC000352815104 336249742 /nfs/dbraw/zinc/24/97/42/336249742.db2.gz LPPFIUDIPXKRNV-LJQANCHMSA-N 0 1 315.413 3.538 20 30 DHEDMN Cc1ccccc1CN1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000526942495 336275361 /nfs/dbraw/zinc/27/53/61/336275361.db2.gz DSCAPAVNOZRDRL-SFHVURJKSA-N 0 1 319.452 3.746 20 30 DHEDMN N#Cc1c(F)cccc1Sc1nc(-c2ccccc2F)n[nH]1 ZINC000301136524 336291656 /nfs/dbraw/zinc/29/16/56/336291656.db2.gz AFHDMGJPUNQWOL-UHFFFAOYSA-N 0 1 314.320 3.773 20 30 DHEDMN C[C@H]1CN(C(C)(C)CNc2ccc(C#N)c(Cl)c2)C[C@H](C)O1 ZINC000301270053 336297886 /nfs/dbraw/zinc/29/78/86/336297886.db2.gz VABLBUJFVGHZSE-STQMWFEESA-N 0 1 321.852 3.511 20 30 DHEDMN C[C@@H](CNc1ccc(F)cc1C#N)N1CCc2sccc2C1 ZINC000301366093 336302662 /nfs/dbraw/zinc/30/26/62/336302662.db2.gz NRPWJUKHRWSNHC-LBPRGKRZSA-N 0 1 315.417 3.618 20 30 DHEDMN CC(=O)c1ccc(C#N)cc1NC[C@@H](c1ccco1)N1CCCC1 ZINC000302051192 336345693 /nfs/dbraw/zinc/34/56/93/336345693.db2.gz NYLJKVLXUOSISQ-SFHVURJKSA-N 0 1 323.396 3.603 20 30 DHEDMN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H]1CCC(C)(C)O1 ZINC000352901254 336375430 /nfs/dbraw/zinc/37/54/30/336375430.db2.gz JCYJSYOOTMBAKS-QGZVFWFLSA-N 0 1 305.466 3.800 20 30 DHEDMN N#Cc1ccc2c(c1)[C@@H](N[C@H]1CCOc3c(F)cccc31)CC2 ZINC000353599247 336427854 /nfs/dbraw/zinc/42/78/54/336427854.db2.gz WNQKAUUXDBXACW-ROUUACIJSA-N 0 1 308.356 3.798 20 30 DHEDMN COc1cc([C@H](C)NCc2ccc(C#N)c(OC)c2)ccc1F ZINC000353614490 336428977 /nfs/dbraw/zinc/42/89/77/336428977.db2.gz XMCUZHMVQSSOOY-LBPRGKRZSA-N 0 1 314.360 3.565 20 30 DHEDMN C[C@H](N[C@H]1CCO[C@H]1C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000372179445 336924312 /nfs/dbraw/zinc/92/43/12/336924312.db2.gz CRFNIAMHSBCJTO-HUBLWGQQSA-N 0 1 313.426 3.510 20 30 DHEDMN COc1ccc2c(c1)OCC[C@H]2N[C@@H](C)c1ccc(C#N)cc1 ZINC000373186632 336950994 /nfs/dbraw/zinc/95/09/94/336950994.db2.gz QEEBUPUNRDVOHJ-SCLBCKFNSA-N 0 1 308.381 3.741 20 30 DHEDMN C[C@H](NCc1cncn1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000374692462 336995234 /nfs/dbraw/zinc/99/52/34/336995234.db2.gz HFIGDACTYFJTBY-HNNXBMFYSA-N 0 1 316.408 3.810 20 30 DHEDMN C[C@H]1N(Cc2ccc(F)c(C#N)c2Cl)CCC12CCOCC2 ZINC000376121231 337027645 /nfs/dbraw/zinc/02/76/45/337027645.db2.gz ZPUTUMXCGXHMCL-GFCCVEGCSA-N 0 1 322.811 3.742 20 30 DHEDMN COC(=O)[C@@H]1C[C@@H](N[C@@H](C)c2cccc(C#N)c2)c2ccccc21 ZINC000376837574 337042403 /nfs/dbraw/zinc/04/24/03/337042403.db2.gz WWDLZGGAAODHHK-MJXNMMHHSA-N 0 1 320.392 3.610 20 30 DHEDMN N#Cc1ccccc1CN[C@H]1c2ccccc2CC12CCOCC2 ZINC000377727507 337059722 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337168696 /nfs/dbraw/zinc/16/86/96/337168696.db2.gz JRCDTFNOCRHRPJ-OAHLLOKOSA-N 0 1 318.465 3.749 20 30 DHEDMN N#Cc1ccc(CN2CCC(OCc3ccccc3)CC2)s1 ZINC000179800966 337171862 /nfs/dbraw/zinc/17/18/62/337171862.db2.gz ZRBKRXACBBUHAT-UHFFFAOYSA-N 0 1 312.438 3.801 20 30 DHEDMN N#Cc1cc(Cl)ccc1COc1ccccc1-c1nnc[nH]1 ZINC000185380824 337204641 /nfs/dbraw/zinc/20/46/41/337204641.db2.gz ZAMQSDJRTBUEEP-UHFFFAOYSA-N 0 1 310.744 3.576 20 30 DHEDMN Cc1ccccc1O[C@@H]1CCCC[C@@H]1NC[C@H](C#N)CCC#N ZINC000571875574 337579695 /nfs/dbraw/zinc/57/96/95/337579695.db2.gz SCPWZPOGFDWFJS-JENIJYKNSA-N 0 1 311.429 3.718 20 30 DHEDMN C#CCOc1ccccc1CN[C@@H](CC(C)C)c1ccccn1 ZINC000271421642 337644175 /nfs/dbraw/zinc/64/41/75/337644175.db2.gz BVPCSGHWFBTQGK-IBGZPJMESA-N 0 1 308.425 3.971 20 30 DHEDMN C[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)c1cncs1 ZINC000271563679 337644747 /nfs/dbraw/zinc/64/47/47/337644747.db2.gz YCJWEJSURHKZAV-NSHDSACASA-N 0 1 310.344 3.864 20 30 DHEDMN N#Cc1csc(CN[C@H]2C[C@H](c3ccc(Cl)cc3)C2)n1 ZINC000516217884 338007776 /nfs/dbraw/zinc/00/77/76/338007776.db2.gz VJBWGGLJEIYLAZ-AULYBMBSSA-N 0 1 303.818 3.704 20 30 DHEDMN CN(CC#Cc1ccc(Cl)cc1)[C@H](CCO)c1ccccc1 ZINC000426450945 338032495 /nfs/dbraw/zinc/03/24/95/338032495.db2.gz OWXINZOPBSWZOE-LJQANCHMSA-N 0 1 313.828 3.747 20 30 DHEDMN COc1ccc(CCCN(C)Cc2cccc(F)c2C#N)cc1 ZINC000428458549 338052988 /nfs/dbraw/zinc/05/29/88/338052988.db2.gz NZPHULBOIPEHMP-UHFFFAOYSA-N 0 1 312.388 3.771 20 30 DHEDMN N#Cc1c(F)cccc1CN[C@@H]1CCC[C@H]1OCc1ccccc1 ZINC000428957370 338066531 /nfs/dbraw/zinc/06/65/31/338066531.db2.gz SIVBQLLWPILZSU-WOJBJXKFSA-N 0 1 324.399 3.925 20 30 DHEDMN CC(C)(CO)[C@@H](NCC#Cc1ccc(F)cc1)c1ccccc1 ZINC000429718192 338088302 /nfs/dbraw/zinc/08/83/02/338088302.db2.gz IZHLCKCUXJDUOO-IBGZPJMESA-N 0 1 311.400 3.527 20 30 DHEDMN CCc1cnccc1C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430607349 338109719 /nfs/dbraw/zinc/10/97/19/338109719.db2.gz BYOHYBKHUFAGKY-CYBMUJFWSA-N 0 1 313.426 3.888 20 30 DHEDMN CC(C)CCN(CCC#N)C(=O)C(C#N)CCc1ccccc1 ZINC000433344647 338193574 /nfs/dbraw/zinc/19/35/74/338193574.db2.gz SSLSETPLXZPWSP-SFHVURJKSA-N 0 1 311.429 3.547 20 30 DHEDMN CC(C)(CCC#N)CNC(=O)c1c(O)cc(Cl)cc1Cl ZINC000436734944 338284725 /nfs/dbraw/zinc/28/47/25/338284725.db2.gz BRQIADIWAQTRTM-UHFFFAOYSA-N 0 1 315.200 3.759 20 30 DHEDMN C=CCSc1ccccc1NC(=O)CN1CC[C@@H](CC)C1 ZINC000438481207 338345449 /nfs/dbraw/zinc/34/54/49/338345449.db2.gz COPPHWRTBAPVNS-CQSZACIVSA-N 0 1 304.459 3.635 20 30 DHEDMN CCCO[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000439439071 338369398 /nfs/dbraw/zinc/36/93/98/338369398.db2.gz NOTXFBPWJZGZHN-INIZCTEOSA-N 0 1 306.837 3.993 20 30 DHEDMN CCCO[C@H]1CCCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000439439071 338369399 /nfs/dbraw/zinc/36/93/99/338369399.db2.gz NOTXFBPWJZGZHN-INIZCTEOSA-N 0 1 306.837 3.993 20 30 DHEDMN Cn1cc([C@H](NCc2ccc(C#N)cc2Cl)C(C)(C)C)cn1 ZINC000439439775 338369528 /nfs/dbraw/zinc/36/95/28/338369528.db2.gz NLTFETXKOSPNHS-INIZCTEOSA-N 0 1 316.836 3.822 20 30 DHEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(C#N)cc3C)[nH]c21 ZINC000439550793 338372902 /nfs/dbraw/zinc/37/29/02/338372902.db2.gz QSEUKUYTNRSICM-HNNXBMFYSA-N 0 1 314.348 3.542 20 30 DHEDMN CCC[C@@H]1[C@@H](C)CCCN1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000440763969 338396724 /nfs/dbraw/zinc/39/67/24/338396724.db2.gz UCFOLNDCUQPVPS-BLLLJJGKSA-N 0 1 317.433 3.607 20 30 DHEDMN Cc1ccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)c(C)c1 ZINC000160758188 338563837 /nfs/dbraw/zinc/56/38/37/338563837.db2.gz CPHHAYIAUMTPME-UHFFFAOYSA-N 0 1 320.801 3.629 20 30 DHEDMN CC[C@H](CC#N)NCc1ccnc2c(Br)cccc12 ZINC000449243324 338606111 /nfs/dbraw/zinc/60/61/11/338606111.db2.gz JZTAJCZHADNEQM-GFCCVEGCSA-N 0 1 318.218 3.779 20 30 DHEDMN CCN(CC)[C@H](C(=O)Nc1cccc(CC#N)c1)c1ccccc1 ZINC000456722227 338937993 /nfs/dbraw/zinc/93/79/93/338937993.db2.gz CJPYDIBFSPGDKI-IBGZPJMESA-N 0 1 321.424 3.774 20 30 DHEDMN N#Cc1cccc([N+](=O)[O-])c1CN[C@@H](Cc1ccccc1)C1CC1 ZINC000459389409 339026565 /nfs/dbraw/zinc/02/65/65/339026565.db2.gz 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C=CCC[C@H](O)CN1CCc2c(Br)cccc2[C@@H]1C ZINC000509415617 340268658 /nfs/dbraw/zinc/26/86/58/340268658.db2.gz KGPDRZPHZUKGGP-STQMWFEESA-N 0 1 324.262 3.695 20 30 DHEDMN C=CC1CCN(Cc2nc3cc(Br)ccc3o2)CC1 ZINC000509673342 340276561 /nfs/dbraw/zinc/27/65/61/340276561.db2.gz ZGWOLXNPZKVOPJ-UHFFFAOYSA-N 0 1 321.218 3.988 20 30 DHEDMN N#Cc1cccc(CN2CCSC3(CCCCC3)C2)c1F ZINC000512438785 340361760 /nfs/dbraw/zinc/36/17/60/340361760.db2.gz JYEHGUNVMSXLEH-UHFFFAOYSA-N 0 1 304.434 3.949 20 30 DHEDMN N#Cc1ccc(F)cc1CSc1nc(-c2ccccc2)n[nH]1 ZINC000130156674 341003217 /nfs/dbraw/zinc/00/32/17/341003217.db2.gz ZMSLWEFAAVVUMY-UHFFFAOYSA-N 0 1 310.357 3.775 20 30 DHEDMN Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3ccc(C(C)C)s3)nc21 ZINC000544860491 341096754 /nfs/dbraw/zinc/09/67/54/341096754.db2.gz FUGOABPUFFCTPN-LLVKDONJSA-N 0 1 324.409 3.941 20 30 DHEDMN C=C(C)CN(Cc1ccc(CO)o1)Cc1ccc(OC)c(C)c1 ZINC000564307048 341177766 /nfs/dbraw/zinc/17/77/66/341177766.db2.gz SBLRKBAMRHAYEU-UHFFFAOYSA-N 0 1 315.413 3.667 20 30 DHEDMN N#Cc1cc(F)ccc1CN(C[C@@H]1CCCO1)C1CCCC1 ZINC000075830860 341185016 /nfs/dbraw/zinc/18/50/16/341185016.db2.gz YASWIMBFELGSGC-SFHVURJKSA-N 0 1 302.393 3.621 20 30 DHEDMN CC(C)(C#N)CCCN1CCC[C@@H]1c1nc2c([nH]1)CCCC2 ZINC000548350343 341256544 /nfs/dbraw/zinc/25/65/44/341256544.db2.gz KDZLSONHUMTCSL-MRXNPFEDSA-N 0 1 300.450 3.755 20 30 DHEDMN N#CCCCCNC(=O)c1cc(Cl)c2ccccc2c1O ZINC000080024536 341268740 /nfs/dbraw/zinc/26/87/40/341268740.db2.gz XWXTXIWXMMSURY-UHFFFAOYSA-N 0 1 302.761 3.622 20 30 DHEDMN CCc1ccccc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000548936424 341281761 /nfs/dbraw/zinc/28/17/61/341281761.db2.gz RHTVVBPESGZAKX-HUUCEWRRSA-N 0 1 321.424 3.798 20 30 DHEDMN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000245525704 341299760 /nfs/dbraw/zinc/29/97/60/341299760.db2.gz VREKVGHCLIXOKZ-KKSFZXQISA-N 0 1 318.420 3.793 20 30 DHEDMN C[C@@H](c1ccc(C#N)cc1)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000245525704 341299761 /nfs/dbraw/zinc/29/97/61/341299761.db2.gz VREKVGHCLIXOKZ-KKSFZXQISA-N 0 1 318.420 3.793 20 30 DHEDMN Cc1ccc(-c2cc(C(=O)Nc3ccccc3CC#N)[nH]n2)cc1 ZINC000550100173 341309993 /nfs/dbraw/zinc/30/99/93/341309993.db2.gz LLJZHENEXSTLCO-UHFFFAOYSA-N 0 1 316.364 3.704 20 30 DHEDMN C=CCC1(C(=O)NCCN2CC=C(C(C)(C)C)CC2)CCC1 ZINC000552455805 341394486 /nfs/dbraw/zinc/39/44/86/341394486.db2.gz HAQWFLLECDULDE-UHFFFAOYSA-N 0 1 304.478 3.527 20 30 DHEDMN Cc1nc2scc(C3CC3)n2c1CN1CCC(CC#N)CC1 ZINC000574656881 341765041 /nfs/dbraw/zinc/76/50/41/341765041.db2.gz QKRPGZNJPACAFO-UHFFFAOYSA-N 0 1 314.458 3.707 20 30 DHEDMN CC(C)c1ccc(CN2CCC(CC#N)CC2)cc1[N+](=O)[O-] ZINC000576255412 341836509 /nfs/dbraw/zinc/83/65/09/341836509.db2.gz UDOOETKDRLTUEV-UHFFFAOYSA-N 0 1 301.390 3.844 20 30 DHEDMN N#Cc1csc(CNCC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000177715250 341925140 /nfs/dbraw/zinc/92/51/40/341925140.db2.gz VHRWWNQQQUAOHX-UHFFFAOYSA-N 0 1 320.339 3.780 20 30 DHEDMN CC(C)[C@H](NCc1ccccc1C#N)c1ccc2c(c1)OCCO2 ZINC000161480419 519821099 /nfs/dbraw/zinc/82/10/99/519821099.db2.gz PTCQNRWQLCXIGE-FQEVSTJZSA-N 0 1 322.408 3.816 20 30 DHEDMN CCC[C@H](NCc1cc(C#N)n(C)c1)c1ccc(F)cc1F ZINC000191318438 521163417 /nfs/dbraw/zinc/16/34/17/521163417.db2.gz GWAPSXWHGKQUTK-KRWDZBQOSA-N 0 1 303.356 3.806 20 30 DHEDMN CCN(Cc1cnc2ccccn12)[C@H](C)c1ccc(C#N)cc1 ZINC000157705495 521434708 /nfs/dbraw/zinc/43/47/08/521434708.db2.gz PVGVRUHZUPPTSB-OAHLLOKOSA-N 0 1 304.397 3.789 20 30 DHEDMN COC(=O)[C@@H]1C[C@H](N[C@@H](C)c2ccc(C#N)cc2)c2ccccc21 ZINC000363809874 523789595 /nfs/dbraw/zinc/78/95/95/523789595.db2.gz BDNVLELHNGZSFE-BKTGTZMESA-N 0 1 320.392 3.610 20 30 DHEDMN Cc1nc(C(C)C)sc1[C@@H](C)N(C)Cc1cc(C#N)n(C)c1 ZINC000191426925 526676854 /nfs/dbraw/zinc/67/68/54/526676854.db2.gz XLNBJDIDOUASCV-CYBMUJFWSA-N 0 1 316.474 3.978 20 30 DHEDMN N#Cc1ccccc1CN[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000182113725 526736511 /nfs/dbraw/zinc/73/65/11/526736511.db2.gz WIDAPWKVTOKCQR-ZWKOTPCHSA-N 0 1 312.800 3.831 20 30 DHEDMN Cc1nc2c(n1[C@@H]1CCN(c3ccc(C#N)cc3F)C1)CCCC2 ZINC000275513514 563626753 /nfs/dbraw/zinc/62/67/53/563626753.db2.gz XMEYMYOWUDWVFM-OAHLLOKOSA-N 0 1 324.403 3.533 20 30 DHEDMN C[N@@H+](CCC1CCCCC1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737415283 600567409 /nfs/dbraw/zinc/56/74/09/600567409.db2.gz JZUAFHCBUDYLGZ-KRWDZBQOSA-N 0 1 300.402 3.586 20 30 DHEDMN C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736759373 600570654 /nfs/dbraw/zinc/57/06/54/600570654.db2.gz JAPILYVZPSICDD-NIKGAXFTSA-N 0 1 320.392 3.562 20 30 DHEDMN C[N@@H+](CCCCc1ccccc1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830773378 601311354 /nfs/dbraw/zinc/31/13/54/601311354.db2.gz VXGXQYXHVPLOAV-IBGZPJMESA-N 0 1 322.408 3.639 20 30 DHEDMN Cc1ccc(C[C@@H](C)[N@@H+](C)Cc2cccc(C(=O)[O-])c2C#N)cc1 ZINC000833749024 604611923 /nfs/dbraw/zinc/61/19/23/604611923.db2.gz ZGTRIAPEXLTKIH-OAHLLOKOSA-N 0 1 322.408 3.628 20 30 DHEDMN CC[C@@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1cccc(C#N)c1 ZINC000829026168 604650957 /nfs/dbraw/zinc/65/09/57/604650957.db2.gz HEIMCNLDIHUNAX-SFHVURJKSA-N 0 1 308.381 3.596 20 30 DHEDMN C[C@]1(C#N)CCC[N@H+](Cc2c3ccccc3sc2C(=O)[O-])C1 ZINC000833551558 605419654 /nfs/dbraw/zinc/41/96/54/605419654.db2.gz PEWMERIUKXEAEV-QGZVFWFLSA-N 0 1 314.410 3.725 20 30 DHEDMN C[C@]1(C#N)CCC[N@@H+](Cc2c3ccccc3sc2C(=O)[O-])C1 ZINC000833551558 605419657 /nfs/dbraw/zinc/41/96/57/605419657.db2.gz PEWMERIUKXEAEV-QGZVFWFLSA-N 0 1 314.410 3.725 20 30 DHEDMN C=CC[N@H+](CCc1ccco1)Cc1cc(C(=O)[O-])sc1C ZINC000833374638 605477376 /nfs/dbraw/zinc/47/73/76/605477376.db2.gz VNBVZNUFFZNMAU-UHFFFAOYSA-N 0 1 305.399 3.578 20 30 DHEDMN C=CCCCCN1CCC(F)(F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001209206945 1013084209 /nfs/dbraw/zinc/08/42/09/1013084209.db2.gz CVROBCWPXMHRAI-CYBMUJFWSA-N 0 1 318.408 3.577 20 30 DHEDMN C=CCC[C@@H](C(=O)N[C@H]1CCCc2cn[nH]c21)c1ccccc1 ZINC000275116597 1013164016 /nfs/dbraw/zinc/16/40/16/1013164016.db2.gz IEZYGCWLSXDNJW-SJORKVTESA-N 0 1 309.413 3.653 20 30 DHEDMN C=CCOc1ccc(CNCc2c(C)nn(C(C)C)c2C)cc1 ZINC000894389085 1013251913 /nfs/dbraw/zinc/25/19/13/1013251913.db2.gz KYTOKJQKYPEKCP-UHFFFAOYSA-N 0 1 313.445 3.935 20 30 DHEDMN C=CCCCSc1nc(-c2ccc(OC)cc2OC)n[nH]1 ZINC000117551924 1013261200 /nfs/dbraw/zinc/26/12/00/1013261200.db2.gz DFCNLMNOWVPCEI-UHFFFAOYSA-N 0 1 305.403 3.547 20 30 DHEDMN CCN(Cc1ccc(C)c(C#N)c1)Cc1ccc(OC)cc1OC ZINC001167233342 1013421992 /nfs/dbraw/zinc/42/19/92/1013421992.db2.gz IZVXPKRDMZLAOF-UHFFFAOYSA-N 0 1 324.424 3.906 20 30 DHEDMN CCOC(=O)c1c(C)oc(N=C2CCC(F)(F)CC2)c1C#N ZINC001210031308 1013488533 /nfs/dbraw/zinc/48/85/33/1013488533.db2.gz ODJZBFUHYSFDGJ-UHFFFAOYSA-N 0 1 310.300 3.751 20 30 DHEDMN CN(CC#Cc1ccccc1Cl)CCCC(=O)OC(C)(C)C ZINC000441148135 1013677657 /nfs/dbraw/zinc/67/76/57/1013677657.db2.gz AVBQHIOLKUXBII-UHFFFAOYSA-N 0 1 321.848 3.745 20 30 DHEDMN C[C@H](C1CCCCC1)N(C)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000328688320 1013792601 /nfs/dbraw/zinc/79/26/01/1013792601.db2.gz HOVQUCYBDWASQQ-IUODEOHRSA-N 0 1 304.438 3.602 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1018246091 /nfs/dbraw/zinc/24/60/91/1018246091.db2.gz AWFHIBKKVOSZPD-GFCCVEGCSA-N 0 1 312.360 3.513 20 30 DHEDMN C#CCN(C(=O)c1cccc2[nH]c(-c3cccs3)nc21)C1CC1 ZINC000764453152 1018284705 /nfs/dbraw/zinc/28/47/05/1018284705.db2.gz HEHJWBFSKNCCLL-UHFFFAOYSA-N 0 1 321.405 3.529 20 30 DHEDMN N#CC[C@H]1CCCN([C@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171541108 1032753999 /nfs/dbraw/zinc/75/39/99/1032753999.db2.gz FLRSNHHOHWQSNK-YPMHNXCESA-N 0 1 308.347 3.587 20 30 DHEDMN C=C(C)CN(CC)C(=O)CN1CCCC[C@@H]1c1ccc(C)cc1 ZINC000525635973 1018343452 /nfs/dbraw/zinc/34/34/52/1018343452.db2.gz ZVEUGRWHRUKXHV-LJQANCHMSA-N 0 1 314.473 3.947 20 30 DHEDMN O=c1ccc2c([nH]1)CCCC2=NNc1ncc(Cl)cc1Cl ZINC000764668077 1018344421 /nfs/dbraw/zinc/34/44/21/1018344421.db2.gz WPFBZYZXWDMWOR-UHFFFAOYSA-N 0 1 323.183 3.642 20 30 DHEDMN COc1cccc(OC)c1CN=Nc1cccc(Cl)c1F ZINC000755672068 1018424863 /nfs/dbraw/zinc/42/48/63/1018424863.db2.gz DFOOTEBFCOVWKU-UHFFFAOYSA-N 0 1 308.740 3.942 20 30 DHEDMN C=CC[C@H]1N(C(=O)c2c[nH]c3ccccc3c2=O)CCCC1(C)C ZINC000447621344 1018442424 /nfs/dbraw/zinc/44/24/24/1018442424.db2.gz UNOSMABWWAZWBQ-QGZVFWFLSA-N 0 1 324.424 3.735 20 30 DHEDMN O[C@H](c1ccccc1)C1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000127343155 1032767915 /nfs/dbraw/zinc/76/79/15/1032767915.db2.gz WIBGBLVWZKJOHB-OAQYLSRUSA-N 0 1 323.411 3.623 20 30 DHEDMN N#Cc1cc(CN2CCC(OCC3CCCC3)CC2)ccc1F ZINC000122065763 1032768517 /nfs/dbraw/zinc/76/85/17/1032768517.db2.gz LYLFLFGQBZRPPU-UHFFFAOYSA-N 0 1 316.420 3.869 20 30 DHEDMN COc1cc(C)ccc1CNCc1cccc(OCCCC#N)c1 ZINC000151032377 1018536746 /nfs/dbraw/zinc/53/67/46/1018536746.db2.gz MEXQUPOUXGHOOY-UHFFFAOYSA-N 0 1 324.424 3.976 20 30 DHEDMN CCCOc1ccc(CNCc2cc(C#N)cs2)cc1OC ZINC000343286739 1018552009 /nfs/dbraw/zinc/55/20/09/1018552009.db2.gz MTXLEALVGBJIFQ-UHFFFAOYSA-N 0 1 316.426 3.707 20 30 DHEDMN Cc1cc2ncc([C@H](C)N[C@@H](C)c3cccc(C#N)c3)c(C)n2n1 ZINC000091731431 1018590569 /nfs/dbraw/zinc/59/05/69/1018590569.db2.gz ZYSDBTAJABLODQ-KBPBESRZSA-N 0 1 319.412 3.630 20 30 DHEDMN C[C@H](NCc1ccc2c(n1)CCCC2)c1ccc(C#N)c(F)c1 ZINC000278356381 1018604361 /nfs/dbraw/zinc/60/43/61/1018604361.db2.gz COTWDLSZDRIECW-ZDUSSCGKSA-N 0 1 309.388 3.822 20 30 DHEDMN CC1CCC(O)(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000448122043 1018662962 /nfs/dbraw/zinc/66/29/62/1018662962.db2.gz KZZUENQQAJNLTM-UMIMFARRSA-N 0 1 312.457 3.699 20 30 DHEDMN CC#CCCN1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000157588951 1018664913 /nfs/dbraw/zinc/66/49/13/1018664913.db2.gz MXRGWWLIZTXGHX-UHFFFAOYSA-N 0 1 302.468 3.952 20 30 DHEDMN C=CCOc1ccc(CN2CCC[C@H](OCC)C2)cc1Cl ZINC000676413771 1018726354 /nfs/dbraw/zinc/72/63/54/1018726354.db2.gz GMCUXBHFVTUJBI-HNNXBMFYSA-N 0 1 309.837 3.906 20 30 DHEDMN C[C@@H]1CCC[C@H](NC(=O)N2CC[C@H](n3cc(Cl)cn3)C2)[C@@H]1C ZINC000329540720 1018737307 /nfs/dbraw/zinc/73/73/07/1018737307.db2.gz DBHJJNKHEUVJEB-UXOAXIEHSA-N 0 1 324.856 3.522 20 30 DHEDMN CCN(Cc1ccc(C(=O)OC)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477581 1018772763 /nfs/dbraw/zinc/77/27/63/1018772763.db2.gz OFVWYEYADSIETG-CYBMUJFWSA-N 0 1 312.369 3.521 20 30 DHEDMN CCOc1ccc(O)c(C=NCc2nc3cccc(C)c3[nH]2)c1 ZINC000765501327 1018828720 /nfs/dbraw/zinc/82/87/20/1018828720.db2.gz WVEIDMCRGMRGAG-VXLYETTFSA-N 0 1 309.369 3.595 20 30 DHEDMN COc1ccc2c(c1)OCC[C@H]2NCc1c(C)cc(C#N)cc1C ZINC000921784152 1018833503 /nfs/dbraw/zinc/83/35/03/1018833503.db2.gz ZTSZPWJRDDETMN-LJQANCHMSA-N 0 1 322.408 3.797 20 30 DHEDMN Cc1cc(C#N)cc(C)c1CNCc1cccnc1OC(C)C ZINC000921538786 1018959889 /nfs/dbraw/zinc/95/98/89/1018959889.db2.gz YGOFMJCCNUJCDG-UHFFFAOYSA-N 0 1 309.413 3.647 20 30 DHEDMN C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@H](CC(C)(C)C)C1 ZINC000307781306 1018978996 /nfs/dbraw/zinc/97/89/96/1018978996.db2.gz UTFQOZWBEXYTKM-LSDHHAIUSA-N 0 1 313.445 3.643 20 30 DHEDMN Cc1cc(C#N)cc(C)c1CNCc1cccc2c1OCCCO2 ZINC000921860366 1019008395 /nfs/dbraw/zinc/00/83/95/1019008395.db2.gz BSIKIRAGBJHUKJ-UHFFFAOYSA-N 0 1 322.408 3.626 20 30 DHEDMN N#Cc1c(C[N@H+]2CC[C@@H](c3ccccc3)C2)cn2ccccc12 ZINC000477303246 1032803608 /nfs/dbraw/zinc/80/36/08/1032803608.db2.gz UQKOMDSDZMJVKF-QGZVFWFLSA-N 0 1 301.393 3.800 20 30 DHEDMN N#Cc1c(C[N@H+]2CC[C@H](c3ccccc3)C2)cn2ccccc12 ZINC000477303237 1032805405 /nfs/dbraw/zinc/80/54/05/1032805405.db2.gz UQKOMDSDZMJVKF-KRWDZBQOSA-N 0 1 301.393 3.800 20 30 DHEDMN CSc1ccc(Cl)c(C(=O)Nc2cc(C#N)ccc2O)c1 ZINC000176826150 1019125120 /nfs/dbraw/zinc/12/51/20/1019125120.db2.gz GOODJZHRPHWZAK-UHFFFAOYSA-N 0 1 318.785 3.891 20 30 DHEDMN C=CCN(Cc1ccccc1F)C(=O)c1cccc2[nH]c(C)nc21 ZINC000338583362 1019251231 /nfs/dbraw/zinc/25/12/31/1019251231.db2.gz YPHDAHVIJGZKLR-UHFFFAOYSA-N 0 1 323.371 3.839 20 30 DHEDMN CC(C)C[C@H]1CCCCCN1CC(=O)Nc1sccc1C#N ZINC000077364450 1019292851 /nfs/dbraw/zinc/29/28/51/1019292851.db2.gz IDQJGPRQGAKHKB-OAHLLOKOSA-N 0 1 319.474 3.849 20 30 DHEDMN C=CCOc1ccccc1CNCc1scnc1C1CC1 ZINC000487290508 1019359017 /nfs/dbraw/zinc/35/90/17/1019359017.db2.gz SBXUQPLHGQBDBY-UHFFFAOYSA-N 0 1 300.427 3.875 20 30 DHEDMN CCN1CC[C@@H](NCC2(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000338637120 1019413905 /nfs/dbraw/zinc/41/39/05/1019413905.db2.gz NTQQHKXFWQUHLN-HZPDHXFCSA-N 0 1 321.827 3.508 20 30 DHEDMN CC1(C)CN(Cc2cccc(OCCCC#N)c2)C(C)(C)CO1 ZINC000611272260 1019428331 /nfs/dbraw/zinc/42/83/31/1019428331.db2.gz UKNAXNHHPNJGKS-UHFFFAOYSA-N 0 1 316.445 3.759 20 30 DHEDMN CC[C@H]1CC[C@@H](C)N1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000611349477 1019457807 /nfs/dbraw/zinc/45/78/07/1019457807.db2.gz QASNQVZEIFVCAR-ZBFHGGJFSA-N 0 1 308.429 3.815 20 30 DHEDMN CN(C)C[C@@H](NCc1csc(C#N)c1)c1ccc(Cl)cc1 ZINC000922114305 1019470351 /nfs/dbraw/zinc/47/03/51/1019470351.db2.gz MZIQOCCJGIJIIK-MRXNPFEDSA-N 0 1 319.861 3.666 20 30 DHEDMN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)Cc1cccc(C#N)c1F ZINC000552828090 1019474494 /nfs/dbraw/zinc/47/44/94/1019474494.db2.gz IKKAIISBQALVCE-SCLBCKFNSA-N 0 1 310.372 3.521 20 30 DHEDMN C[C@@H](NCc1ncccc1C(F)(F)F)c1cccc(C#N)c1 ZINC000611442068 1019488141 /nfs/dbraw/zinc/48/81/41/1019488141.db2.gz MXGQNUMIVGXOJV-LLVKDONJSA-N 0 1 305.303 3.823 20 30 DHEDMN COc1ccc([C@@H](C)NCc2csc(C#N)c2)c(C)c1OC ZINC000922128578 1019491125 /nfs/dbraw/zinc/49/11/25/1019491125.db2.gz JAEFXGZEKNCGJN-GFCCVEGCSA-N 0 1 316.426 3.796 20 30 DHEDMN COc1ccc(CN2C[C@@H](C(F)(F)F)CC[C@@H]2C)cc1C#N ZINC000611554538 1019520354 /nfs/dbraw/zinc/52/03/54/1019520354.db2.gz UIJGPUDOSKQRTQ-FZMZJTMJSA-N 0 1 312.335 3.730 20 30 DHEDMN Cc1ccccc1CN1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611550332 1019521042 /nfs/dbraw/zinc/52/10/42/1019521042.db2.gz DECZTUZEMMVJKY-HXUWFJFHSA-N 0 1 323.415 3.517 20 30 DHEDMN CC(N=Nc1cnc2ccccc2n1)c1ccc(N(C)C)cc1 ZINC000727256903 1019670790 /nfs/dbraw/zinc/67/07/90/1019670790.db2.gz ZARVUBHVTDFKQN-UHFFFAOYSA-N 0 1 305.385 3.532 20 30 DHEDMN Cc1ccc(NN=Cc2cccn2-c2ccc([N+](=O)[O-])cc2)nc1 ZINC000727259342 1019677944 /nfs/dbraw/zinc/67/79/44/1019677944.db2.gz AMBFNLYGILZLGG-UHFFFAOYSA-N 0 1 321.340 3.535 20 30 DHEDMN C#CC[C@@H](COC)NCc1ccc(-c2cccc(F)c2C)o1 ZINC000858335499 1032849187 /nfs/dbraw/zinc/84/91/87/1032849187.db2.gz VPDNBNHZUXMMPF-AWEZNQCLSA-N 0 1 301.361 3.522 20 30 DHEDMN C#CC[C@@H](COC)NCc1ccc(-c2ccc(F)cc2C)o1 ZINC000858334628 1032849538 /nfs/dbraw/zinc/84/95/38/1032849538.db2.gz CQDBWMNITYHFBB-HNNXBMFYSA-N 0 1 301.361 3.522 20 30 DHEDMN C[C@@H]1C[C@@H](CC(=O)[C@@H](C#N)C(=O)NC2CCCC2)CC(C)(C)C1 ZINC000727629312 1019736967 /nfs/dbraw/zinc/73/69/67/1019736967.db2.gz VWNBQIBPRDCGAL-IJEWVQPXSA-N 0 1 318.461 3.607 20 30 DHEDMN C[C@H]1C[C@@H](NC2=CC(=O)CC(C)(C)C2)CN1Cc1ccccc1 ZINC001171731988 1032850245 /nfs/dbraw/zinc/85/02/45/1032850245.db2.gz FUANJKSAQSJGFG-MAUKXSAKSA-N 0 1 312.457 3.512 20 30 DHEDMN N#Cc1ccc(CN2CCC(Oc3ccc(F)cc3)CC2)cc1 ZINC000115557421 1019744098 /nfs/dbraw/zinc/74/40/98/1019744098.db2.gz FHMMRZSGKFOVAK-UHFFFAOYSA-N 0 1 310.372 3.741 20 30 DHEDMN N#Cc1cccc(CN=Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000727650157 1019746634 /nfs/dbraw/zinc/74/66/34/1019746634.db2.gz QTXAWVKZNLWSMV-UHFFFAOYSA-N 0 1 300.705 3.566 20 30 DHEDMN C=C(C)CNC(=S)Nc1cccc2c1CN([C@H](C)C(C)C)C2 ZINC000727704739 1019767029 /nfs/dbraw/zinc/76/70/29/1019767029.db2.gz JORXKJUVZILNJU-CQSZACIVSA-N 0 1 317.502 3.909 20 30 DHEDMN C[C@@H](c1cccnc1)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000264138917 1032858601 /nfs/dbraw/zinc/85/86/01/1032858601.db2.gz AUMPVGFWPRJYMS-HNNXBMFYSA-N 0 1 307.397 3.558 20 30 DHEDMN CC(=NNc1nccc2sccc21)c1ccc(O)cc1F ZINC000729932500 1019923979 /nfs/dbraw/zinc/92/39/79/1019923979.db2.gz CKLQSPFBHCUHGU-UHFFFAOYSA-N 0 1 301.346 3.977 20 30 DHEDMN COc1ccc2[nH]cc(CN=Nc3ccc([N+](=O)[O-])cc3)c2c1 ZINC000730143946 1019952421 /nfs/dbraw/zinc/95/24/21/1019952421.db2.gz GBXHRCZZDQLXOA-UHFFFAOYSA-N 0 1 310.313 3.531 20 30 DHEDMN N#CC(C(=O)C=Cc1ccco1)c1nc2cc(F)ccc2s1 ZINC000730420159 1019985133 /nfs/dbraw/zinc/98/51/33/1019985133.db2.gz AMITYKXGFLXZSW-ZYOFXKKJSA-N 0 1 312.325 3.918 20 30 DHEDMN O=[N+]([O-])c1ccc(O)cc1C=NNc1ccc(Cl)c(F)c1 ZINC000751134142 1020058571 /nfs/dbraw/zinc/05/85/71/1020058571.db2.gz VZHFWJWBOXUKKR-UHFFFAOYSA-N 0 1 309.684 3.539 20 30 DHEDMN CN(Cc1c[nH]nc1-c1cccs1)Cc1ccc(C#N)cc1 ZINC000131171885 1020074996 /nfs/dbraw/zinc/07/49/96/1020074996.db2.gz OSTRNSMEALAEAK-UHFFFAOYSA-N 0 1 308.410 3.642 20 30 DHEDMN CCOc1c(OC)cc(-c2nc3ccc(C#N)cc3[nH]2)cc1OC ZINC000154232423 1020084970 /nfs/dbraw/zinc/08/49/70/1020084970.db2.gz IYHSAGLMDLSBIG-UHFFFAOYSA-N 0 1 323.352 3.517 20 30 DHEDMN C#CCCOc1ccc(CNCc2nccc3c2CCCC3)cc1 ZINC000922466427 1020086542 /nfs/dbraw/zinc/08/65/42/1020086542.db2.gz IYNPLUNESKSZLA-UHFFFAOYSA-N 0 1 320.436 3.652 20 30 DHEDMN O=C1c2cc(F)cc(F)c2OC/C1=C\c1cc(F)c(O)c(F)c1 ZINC000255641979 1020143948 /nfs/dbraw/zinc/14/39/48/1020143948.db2.gz HXXJKYJJVKJMSW-UNXLUWIOSA-N 0 1 324.229 3.607 20 30 DHEDMN C[C@@H](C#N)Oc1ccc(CN[C@@H](c2ccccn2)C2CC2)cc1 ZINC000922586418 1020146834 /nfs/dbraw/zinc/14/68/34/1020146834.db2.gz MEGVLLOXAWHGQC-IFXJQAMLSA-N 0 1 307.397 3.613 20 30 DHEDMN C[C@H]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC12CCC2 ZINC000329142643 1020156793 /nfs/dbraw/zinc/15/67/93/1020156793.db2.gz 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DHEDMN C#CCN(Cc1ccc(F)cc1)C[C@H](O)c1ccc(Cl)cc1 ZINC000772175579 1023527877 /nfs/dbraw/zinc/52/78/77/1023527877.db2.gz RQPLRZIHGGNXHH-SFHVURJKSA-N 0 1 317.791 3.648 20 30 DHEDMN C#Cc1ccc(C(=O)Nc2ccc3nc(CCCC)[nH]c3c2)cn1 ZINC000728817088 1023536999 /nfs/dbraw/zinc/53/69/99/1023536999.db2.gz DVOLILLIIMKXCS-UHFFFAOYSA-N 0 1 318.380 3.534 20 30 DHEDMN CCCCN(CCC#N)[C@H](C)CCN(C)C(=O)OC(C)(C)C ZINC001172964704 1033485653 /nfs/dbraw/zinc/48/56/53/1033485653.db2.gz QGSKRDZRRCEEMG-OAHLLOKOSA-N 0 1 311.470 3.648 20 30 DHEDMN CCN(CC(=O)C(C#N)c1nc2ccccc2o1)c1ccccc1 ZINC000772650110 1023582402 /nfs/dbraw/zinc/58/24/02/1023582402.db2.gz KKXJYZBXHILBMY-HNNXBMFYSA-N 0 1 319.364 3.531 20 30 DHEDMN C=C[C@H]1CCCCN1Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000785999350 1023650746 /nfs/dbraw/zinc/65/07/46/1023650746.db2.gz TWDGHRHAGQAQCT-KRWDZBQOSA-N 0 1 309.409 3.822 20 30 DHEDMN N#CCc1cc(NC/C(=C/F)CCc2ccc(F)cc2)ccn1 ZINC001170057742 1023693242 /nfs/dbraw/zinc/69/32/42/1023693242.db2.gz YINMXSCJRPPLED-NTCAYCPXSA-N 0 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/nfs/dbraw/zinc/97/50/92/1023975092.db2.gz NOMAFPAUUVVRAW-UHFFFAOYSA-N 0 1 313.254 3.874 20 30 DHEDMN C[C@H](C#N)CSc1ccccc1NC(=S)NC1(C)CC1 ZINC000789235270 1024035283 /nfs/dbraw/zinc/03/52/83/1024035283.db2.gz WUUDDDFYSUZWIW-LLVKDONJSA-N 0 1 305.472 3.777 20 30 DHEDMN CC(C)[C@H](C)N(C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000266906857 1024047808 /nfs/dbraw/zinc/04/78/08/1024047808.db2.gz JWAZWYIISUYLSJ-HNNXBMFYSA-N 0 1 311.429 3.714 20 30 DHEDMN C#CCn1ccc(CN(CC)CCCc2ccccc2Cl)n1 ZINC000789329230 1024052383 /nfs/dbraw/zinc/05/23/83/1024052383.db2.gz LZFCTTNZVNCQQG-UHFFFAOYSA-N 0 1 315.848 3.624 20 30 DHEDMN N#Cc1cc(CN2CCC([C@H](O)c3ccccc3)CC2)ccc1F ZINC000268270031 1024093845 /nfs/dbraw/zinc/09/38/45/1024093845.db2.gz ZVABIMOQVAESDR-HXUWFJFHSA-N 0 1 324.399 3.643 20 30 DHEDMN C[C@@H](c1cc(F)ccc1F)N(C)C[C@H](O)c1ccc(C#N)cc1 ZINC000268582971 1024130463 /nfs/dbraw/zinc/13/04/63/1024130463.db2.gz CXQDWPMNTMIMKL-SGTLLEGYSA-N 0 1 316.351 3.563 20 30 DHEDMN CC(=NNc1ncccc1C)c1ccc(Br)cc1O 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C#CC1(NCc2cnc(NC(=O)OC(C)(C)C)s2)CCCC1 ZINC000883363186 1024403722 /nfs/dbraw/zinc/40/37/22/1024403722.db2.gz XIEBRDAWIKASNL-UHFFFAOYSA-N 0 1 321.446 3.526 20 30 DHEDMN C#CCOc1ccc([C@@H](C)NCc2ccccc2OCC)cc1 ZINC000132207332 1024461028 /nfs/dbraw/zinc/46/10/28/1024461028.db2.gz PUVKDFVRVKCAFD-MRXNPFEDSA-N 0 1 309.409 3.948 20 30 DHEDMN C=C(C)CN(CC)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000102681366 1024538050 /nfs/dbraw/zinc/53/80/50/1024538050.db2.gz HZHHVASUFNBSGC-LBPRGKRZSA-N 0 1 316.361 3.604 20 30 DHEDMN C=CCN(C(=O)c1cc(-c2ccccc2Cl)[nH]n1)C1CC1 ZINC000271605235 1024550036 /nfs/dbraw/zinc/55/00/36/1024550036.db2.gz ZALMGUBDNJZVSJ-UHFFFAOYSA-N 0 1 301.777 3.521 20 30 DHEDMN CCc1ccc(CN2CCC(Oc3cccc(C#N)c3)CC2)cn1 ZINC000347634706 1024619676 /nfs/dbraw/zinc/61/96/76/1024619676.db2.gz GPNDHCPUSBHMFL-UHFFFAOYSA-N 0 1 321.424 3.559 20 30 DHEDMN N#CC(C(=O)c1cccc(Cl)n1)c1nccc2ccccc21 ZINC000792091473 1024628862 /nfs/dbraw/zinc/62/88/62/1024628862.db2.gz LFUHRWKGKDWAAH-CYBMUJFWSA-N 0 1 307.740 3.773 20 30 DHEDMN N#CC(C(=O)Cc1ccc(F)cc1F)c1nccc2ccccc21 ZINC000792089825 1024629278 /nfs/dbraw/zinc/62/92/78/1024629278.db2.gz AEXULTIOSDRXFN-MRXNPFEDSA-N 0 1 322.314 3.932 20 30 DHEDMN Cc1ccc([N+](=O)[O-])cc1N=NC1CCN(Cc2ccccc2)C1 ZINC000747061576 1024650207 /nfs/dbraw/zinc/65/02/07/1024650207.db2.gz KJTUSBMXSPHQPH-UHFFFAOYSA-N 0 1 324.384 3.577 20 30 DHEDMN Cc1sc(NC(=O)CN2C[C@H](C)C[C@@H](C)[C@H]2C)c(C#N)c1C ZINC000475745344 1024698477 /nfs/dbraw/zinc/69/84/77/1024698477.db2.gz VDOCCRUNNCTRAR-NQBHXWOUSA-N 0 1 319.474 3.542 20 30 DHEDMN C[C@H](CCCC#N)N1C[C@@H]2C[C@H]1CN2c1ccccc1Cl ZINC001172500871 1033229501 /nfs/dbraw/zinc/22/95/01/1033229501.db2.gz BLHBUPJTSMALIQ-ILXRZTDVSA-N 0 1 303.837 3.685 20 30 DHEDMN Cc1cccc(NC(=O)[C@H](C)N[C@H](C)c2ccc(C#N)cc2)c1 ZINC000127475313 1024704235 /nfs/dbraw/zinc/70/42/35/1024704235.db2.gz QMMARLFYZSGCOJ-CABCVRRESA-N 0 1 307.397 3.545 20 30 DHEDMN O=C(/C=C/c1cc(O)ccc1[N+](=O)[O-])c1c[nH]c2ccccc12 ZINC000772804146 1024707479 /nfs/dbraw/zinc/70/74/79/1024707479.db2.gz BSOUZOKUCPXVCO-VMPITWQZSA-N 0 1 308.293 3.678 20 30 DHEDMN O=C1c2ccc(F)cc2CC/C1=C\c1cc(O)ccc1[N+](=O)[O-] ZINC000772806204 1024723047 /nfs/dbraw/zinc/72/30/47/1024723047.db2.gz KSGVATXLISZFOM-YRNVUSSQSA-N 0 1 313.284 3.652 20 30 DHEDMN C[C@@H](Cc1ccccc1Cl)N1CCC2SC(=O)C=C2C1 ZINC001170277289 1024733974 /nfs/dbraw/zinc/73/39/74/1024733974.db2.gz RVVBPPXIXSJHMK-NHYWBVRUSA-N 0 1 307.846 3.545 20 30 DHEDMN CCOC(=O)C[C@@H](C)C/N=C/c1cc(Cl)cc(Cl)c1O ZINC000760229993 1024769719 /nfs/dbraw/zinc/76/97/19/1024769719.db2.gz UZXFMZOXOXSCEX-YFEDRJBBSA-N 0 1 318.200 3.707 20 30 DHEDMN C#CCCOc1ccc(CNCc2ccc(OC(C)C)nc2)cc1 ZINC000113323154 1024796846 /nfs/dbraw/zinc/79/68/46/1024796846.db2.gz WSPZRBXYOLVXSP-UHFFFAOYSA-N 0 1 324.424 3.561 20 30 DHEDMN C#CCOc1ccc(CN[C@@H](CC)c2nc(C)cs2)cc1 ZINC000113337999 1024797794 /nfs/dbraw/zinc/79/77/94/1024797794.db2.gz MIWSXLNIMXWWBF-INIZCTEOSA-N 0 1 300.427 3.704 20 30 DHEDMN Cc1cccc(C)c1NC(=O)[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000127558095 1024815402 /nfs/dbraw/zinc/81/54/02/1024815402.db2.gz JYWMOBFGZNWKHV-HZPDHXFCSA-N 0 1 321.424 3.853 20 30 DHEDMN Cc1cc(NN=Cc2cc(C(F)(F)F)ccc2Cl)ncn1 ZINC000753702024 1024856078 /nfs/dbraw/zinc/85/60/78/1024856078.db2.gz ZXZXTQZVAZCEON-UHFFFAOYSA-N 0 1 314.698 3.903 20 30 DHEDMN COc1ncc(C(C)=NNc2cccc(Cl)n2)cc1Cl ZINC000793161917 1024905996 /nfs/dbraw/zinc/90/59/96/1024905996.db2.gz NITNJOXBWOKADB-UHFFFAOYSA-N 0 1 311.172 3.628 20 30 DHEDMN CCOC1(C(=O)C(C#N)c2nc(C(C)C)cs2)CCCC1 ZINC000793161700 1024907317 /nfs/dbraw/zinc/90/73/17/1024907317.db2.gz CDABYUVBIDINHM-LBPRGKRZSA-N 0 1 306.431 3.792 20 30 DHEDMN Cc1ccc2c(c1C)C(=NNc1cccc(Cl)n1)CCO2 ZINC000793175932 1024922478 /nfs/dbraw/zinc/92/24/78/1024922478.db2.gz XZCGBKRSPLUSLE-UHFFFAOYSA-N 0 1 301.777 3.951 20 30 DHEDMN Cn1cc(C=NNc2cccc(Cl)n2)c(-c2ccccc2)n1 ZINC000793181576 1024927157 /nfs/dbraw/zinc/92/71/57/1024927157.db2.gz UQQPATPYFXXQES-UHFFFAOYSA-N 0 1 311.776 3.582 20 30 DHEDMN COc1nc2ccccc2cc1CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001137206992 1024989467 /nfs/dbraw/zinc/98/94/67/1024989467.db2.gz VBGVMLFXTOPCAM-FFGGFLGDSA-N 0 1 307.397 3.510 20 30 DHEDMN C=C(C)CN(Cc1ccccc1)Cc1ccc2c(c1)NC(=O)CO2 ZINC000353255499 1025000483 /nfs/dbraw/zinc/00/04/83/1025000483.db2.gz FYNCLNXPHIRRJJ-UHFFFAOYSA-N 0 1 322.408 3.596 20 30 DHEDMN CCCCOc1ccc([C@H](C)NCc2ccc(C#N)cn2)cc1 ZINC000793557653 1025102698 /nfs/dbraw/zinc/10/26/98/1025102698.db2.gz PELBVFXNHNMWOX-HNNXBMFYSA-N 0 1 309.413 3.983 20 30 DHEDMN CC(=[NH+][N-]c1nccnc1C1CCC1)c1c(C)cc(N)cc1C ZINC000884468893 1025126144 /nfs/dbraw/zinc/12/61/44/1025126144.db2.gz PCCLJGIIWYEECC-UHFFFAOYSA-N 0 1 309.417 3.779 20 30 DHEDMN CC[C@@H](NCc1nn(C)c2ccccc12)c1ccc(C#N)cc1 ZINC000618575627 1025177784 /nfs/dbraw/zinc/17/77/84/1025177784.db2.gz UDXFZEQEOYPFRA-QGZVFWFLSA-N 0 1 304.397 3.686 20 30 DHEDMN C#C[C@@](C)(CC)NCc1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC001170451999 1025319673 /nfs/dbraw/zinc/31/96/73/1025319673.db2.gz QARGPFPENPMPJS-SFHVURJKSA-N 0 1 313.832 3.997 20 30 DHEDMN C=C1O[C@@H](C)C(=O)C1Oc1cccc(Cl)c1Br ZINC001229127565 1025388687 /nfs/dbraw/zinc/38/86/87/1025388687.db2.gz VWKJPOUXGAUAEO-LURJTMIESA-N 0 1 317.566 3.701 20 30 DHEDMN Cc1csc(C(C#N)C(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000041520387 1025408649 /nfs/dbraw/zinc/40/86/49/1025408649.db2.gz MKJUDNSZUQDBCJ-NSHDSACASA-N 0 1 310.300 3.960 20 30 DHEDMN C=CCN(Cc1ccc(Cl)s1)C[C@@H](O)CC1(C#N)CCC1 ZINC000885930905 1025410762 /nfs/dbraw/zinc/41/07/62/1025410762.db2.gz LARZVNJQLMPXIO-ZDUSSCGKSA-N 0 1 324.877 3.834 20 30 DHEDMN N#CCOc1ccc(CN2CCCC[C@H]2c2cccnc2)cc1 ZINC001137119481 1033289643 /nfs/dbraw/zinc/28/96/43/1033289643.db2.gz QRWNSEQCOMTMMK-IBGZPJMESA-N 0 1 307.397 3.711 20 30 DHEDMN CSc1ccc(CNCc2cnc(Cl)c(C)c2)cc1C#N ZINC000886277595 1025577534 /nfs/dbraw/zinc/57/75/34/1025577534.db2.gz WGFDRKNHQWNRDM-UHFFFAOYSA-N 0 1 317.845 3.927 20 30 DHEDMN C#CC[C@@H]1CCN(Cc2csc(-c3ccccc3OC)n2)C1 ZINC000886353020 1025600405 /nfs/dbraw/zinc/60/04/05/1025600405.db2.gz AETXCNQOVJLKOS-CQSZACIVSA-N 0 1 312.438 3.664 20 30 DHEDMN N#CCC1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000541023262 1025645927 /nfs/dbraw/zinc/64/59/27/1025645927.db2.gz CYQVXMUOCREHLQ-UHFFFAOYSA-N 0 1 306.331 3.683 20 30 DHEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)C1CCC1 ZINC000072722497 1025762174 /nfs/dbraw/zinc/76/21/74/1025762174.db2.gz MHONQCQOKJYTGM-ZDUSSCGKSA-N 0 1 317.458 3.504 20 30 DHEDMN CSc1ccc(CN[C@@H]2CCCc3cccnc32)cc1C#N ZINC000886690234 1025789875 /nfs/dbraw/zinc/78/98/75/1025789875.db2.gz RWCLHPMXBBEYNW-MRXNPFEDSA-N 0 1 309.438 3.842 20 30 DHEDMN CSc1ccc(CN[C@@H](C)c2cnn(C(C)C)c2)cc1C#N ZINC000886688336 1025790692 /nfs/dbraw/zinc/79/06/92/1025790692.db2.gz PKRDTYQITBXVHD-ZDUSSCGKSA-N 0 1 314.458 3.908 20 30 DHEDMN Cc1csc(C[C@H]2CCCN(Cc3ccc(C#N)s3)C2)n1 ZINC000886691599 1025793209 /nfs/dbraw/zinc/79/32/09/1025793209.db2.gz IDFYBDBOVZUSJV-CYBMUJFWSA-N 0 1 317.483 3.839 20 30 DHEDMN CCCc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)sc1C ZINC000075442762 1025797899 /nfs/dbraw/zinc/79/78/99/1025797899.db2.gz XSZJTJWKDVJVEP-CQSZACIVSA-N 0 1 313.426 3.906 20 30 DHEDMN N#Cc1cccc(C2(N[C@H]3CCc4nc(Cl)ccc43)CC2)c1 ZINC000806154976 1025813968 /nfs/dbraw/zinc/81/39/68/1025813968.db2.gz KZIAEXBNVLAOKE-INIZCTEOSA-N 0 1 309.800 3.873 20 30 DHEDMN COC[C@@H](NCc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000614179613 1025818461 /nfs/dbraw/zinc/81/84/61/1025818461.db2.gz UJDMTJBEEWGWCG-LJQANCHMSA-N 0 1 308.425 3.965 20 30 DHEDMN COc1ccc(/C=C\C(=O)c2ccc(O)c(F)c2)c(C)c1OC ZINC000806571549 1025928517 /nfs/dbraw/zinc/92/85/17/1025928517.db2.gz KDFJGKRJDAJGEQ-DAXSKMNVSA-N 0 1 316.328 3.753 20 30 DHEDMN CN(Cc1cccc(C#N)c1)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000356092863 1025945374 /nfs/dbraw/zinc/94/53/74/1025945374.db2.gz INRWXDFPXMSDMF-UHFFFAOYSA-N 0 1 320.314 3.915 20 30 DHEDMN C=CCN(CCc1ccco1)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000411489155 1026030204 /nfs/dbraw/zinc/03/02/04/1026030204.db2.gz PZUKBLYOFSPUMA-CQSZACIVSA-N 0 1 300.358 3.980 20 30 DHEDMN C[C@@H]1CSCCN(Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356398075 1026038606 /nfs/dbraw/zinc/03/86/06/1026038606.db2.gz QVCVSEMVFOPWCT-NSHDSACASA-N 0 1 314.376 3.762 20 30 DHEDMN COc1ccc(C)cc1CN[C@H](C)c1ccc(OCC#N)cc1 ZINC000729685730 1026052055 /nfs/dbraw/zinc/05/20/55/1026052055.db2.gz HJOMFLNLROXBSK-OAHLLOKOSA-N 0 1 310.397 3.757 20 30 DHEDMN C=CCOc1ccccc1CN1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000356522229 1026073739 /nfs/dbraw/zinc/07/37/39/1026073739.db2.gz IJEQUARLERDPHX-MOPGFXCFSA-N 0 1 313.441 3.785 20 30 DHEDMN Cc1n[nH]c(C(F)F)c1NC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000356615210 1026102914 /nfs/dbraw/zinc/10/29/14/1026102914.db2.gz FKUQGXIGJTYZHC-GFCCVEGCSA-N 0 1 318.327 3.682 20 30 DHEDMN N#CCCCCCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807840026 1026124200 /nfs/dbraw/zinc/12/42/00/1026124200.db2.gz PYYFBQYCGBDLNY-UHFFFAOYSA-N 0 1 315.200 3.789 20 30 DHEDMN CC(C)c1nc([C@@H]2CCCCN2Cc2ccccc2C#N)n[nH]1 ZINC000289780692 1026170212 /nfs/dbraw/zinc/17/02/12/1026170212.db2.gz MRTMMBFIXULXDS-INIZCTEOSA-N 0 1 309.417 3.527 20 30 DHEDMN Fc1cc(F)c(NN=Cc2ccc(C(F)(F)F)[nH]2)cc1F ZINC000807973363 1026179492 /nfs/dbraw/zinc/17/94/92/1026179492.db2.gz PXZXWBZJIGKWKM-UHFFFAOYSA-N 0 1 307.197 3.897 20 30 DHEDMN N#Cc1ccccc1C=Cc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000356985506 1026261042 /nfs/dbraw/zinc/26/10/42/1026261042.db2.gz QIEVZXHLWYMGIP-SOFGYWHQSA-N 0 1 313.320 3.655 20 30 DHEDMN CC(C)CN(CCC#N)CCc1cccc(OC(F)(F)F)c1 ZINC000747494103 1026274220 /nfs/dbraw/zinc/27/42/20/1026274220.db2.gz FUBWVTQRVGEVEE-UHFFFAOYSA-N 0 1 314.351 3.999 20 30 DHEDMN CCCCO[C@@H](C)C(=O)C(C#N)c1nc2ccccc2s1 ZINC000729067184 1026362645 /nfs/dbraw/zinc/36/26/45/1026362645.db2.gz IAXDQAFVBQAIND-RYUDHWBXSA-N 0 1 302.399 3.678 20 30 DHEDMN C=CCc1cc(OC)cc(CN(C)Cc2scnc2C)c1O ZINC000178891946 1026478906 /nfs/dbraw/zinc/47/89/06/1026478906.db2.gz LONNOOCZELSHKF-UHFFFAOYSA-N 0 1 318.442 3.526 20 30 DHEDMN C#C[C@@H](C)NCc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000809682765 1026591458 /nfs/dbraw/zinc/59/14/58/1026591458.db2.gz BKIZHESYDJOQPB-CYBMUJFWSA-N 0 1 312.800 3.704 20 30 DHEDMN CCCCCCC[C@@H](C)N[C@H]1CS(=O)(=O)c2ccccc21 ZINC000809754508 1026616036 /nfs/dbraw/zinc/61/60/36/1026616036.db2.gz CZKHEPUTADXNCW-ZBFHGGJFSA-N 0 1 309.475 3.854 20 30 DHEDMN COc1ccc(CN[C@@H](C)c2nccc3ccccc32)cc1C#N ZINC000810227899 1026712974 /nfs/dbraw/zinc/71/29/74/1026712974.db2.gz MIASJEOLQHKNLI-AWEZNQCLSA-N 0 1 317.392 3.966 20 30 DHEDMN Cc1nc2cc(NCC(C)(C)CCC#N)ccc2n1[C@H](C)CO ZINC000419756782 1026760246 /nfs/dbraw/zinc/76/02/46/1026760246.db2.gz BLJMDTMPAVPQBJ-CYBMUJFWSA-N 0 1 314.433 3.640 20 30 DHEDMN N#CC1CCC(CNCc2csc(C(F)(F)F)n2)CC1 ZINC000894245814 1026765613 /nfs/dbraw/zinc/76/56/13/1026765613.db2.gz GIUAZDVDWNKCAX-UHFFFAOYSA-N 0 1 303.353 3.581 20 30 DHEDMN Cc1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)[nH+]c1C ZINC000420278171 1026798289 /nfs/dbraw/zinc/79/82/89/1026798289.db2.gz UXPCQFLEHPARMZ-GFCCVEGCSA-N 0 1 313.426 3.943 20 30 DHEDMN CCN(C[C@@H](C)C#N)C(=O)CN(C(C)C)[C@H](C)c1ccsc1 ZINC000421000362 1026910809 /nfs/dbraw/zinc/91/08/09/1026910809.db2.gz DELVJRZTEGZMJW-LSDHHAIUSA-N 0 1 321.490 3.528 20 30 DHEDMN C#C[C@@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(C)C ZINC000811505704 1027023826 /nfs/dbraw/zinc/02/38/26/1027023826.db2.gz RNUPFYVMJSEGFC-GFCCVEGCSA-N 0 1 301.173 3.649 20 30 DHEDMN N#Cc1ccc(CN=Nc2cccc(F)n2)c(C(F)(F)F)c1 ZINC000811650359 1027050811 /nfs/dbraw/zinc/05/08/11/1027050811.db2.gz WINGLTVJGMIHTE-UHFFFAOYSA-N 0 1 308.238 3.557 20 30 DHEDMN O=C(/C=C/c1coc(-c2ccccc2)n1)c1ccc(O)cc1O ZINC000156622085 1027133151 /nfs/dbraw/zinc/13/31/51/1027133151.db2.gz QQZBCILCWJDAPQ-RMKNXTFCSA-N 0 1 307.305 3.649 20 30 DHEDMN COc1cc(CNCc2cc(C3CC3)ccc2F)ccc1C#N ZINC000295209308 1027146906 /nfs/dbraw/zinc/14/69/06/1027146906.db2.gz ZWAORKOYNURJGW-UHFFFAOYSA-N 0 1 310.372 3.873 20 30 DHEDMN N#Cc1cc(Cl)cc(CN2CC[C@H](c3nccs3)C2)c1 ZINC000931688077 1027217489 /nfs/dbraw/zinc/21/74/89/1027217489.db2.gz IASTUBQKDGPXBN-ZDUSSCGKSA-N 0 1 303.818 3.658 20 30 DHEDMN CC(=NOC1CCC1)c1cc(Br)c(F)cc1O ZINC000812235571 1027218862 /nfs/dbraw/zinc/21/88/62/1027218862.db2.gz XOAIAWILZFEKSW-UHFFFAOYSA-N 0 1 302.143 3.587 20 30 DHEDMN CCN(Cc1ccc(F)cc1C#N)[C@H](C)[C@H](O)c1ccccc1 ZINC000812852567 1027450140 /nfs/dbraw/zinc/45/01/40/1027450140.db2.gz HJQAZVHRXKXUKQ-KUHUBIRLSA-N 0 1 312.388 3.641 20 30 DHEDMN C[C@@H](NCc1ccnc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000295861570 1027464111 /nfs/dbraw/zinc/46/41/11/1027464111.db2.gz BOLDVUYSUPDBBY-LLVKDONJSA-N 0 1 305.303 3.823 20 30 DHEDMN CC(C)(C)OC(=O)c1cccc(CNCC#Cc2ccccc2)c1 ZINC000778088891 1027492335 /nfs/dbraw/zinc/49/23/35/1027492335.db2.gz ZBKKJPSMWLWADL-UHFFFAOYSA-N 0 1 321.420 3.783 20 30 DHEDMN N#CC(C(=O)C=Cc1ccco1)c1cc(C(F)(F)F)ccn1 ZINC000813215354 1027565964 /nfs/dbraw/zinc/56/59/64/1027565964.db2.gz XJRRINRRPOFFFV-AAOUONPWSA-N 0 1 306.243 3.583 20 30 DHEDMN C=CCCC[C@H](C)NC(=O)[C@H](CC)N(C)Cc1ccccc1 ZINC000576284177 1027596024 /nfs/dbraw/zinc/59/60/24/1027596024.db2.gz OHEWQRODNMFNCQ-WMZOPIPTSA-N 0 1 302.462 3.758 20 30 DHEDMN C[C@H](NCc1cccc(C(F)(F)F)n1)c1ccc(C#N)cc1 ZINC000296518077 1027658896 /nfs/dbraw/zinc/65/88/96/1027658896.db2.gz PTMBNIWZRREZND-NSHDSACASA-N 0 1 305.303 3.823 20 30 DHEDMN C=CC1CCN([C@@H](C)C(=O)Nc2cccc(Cl)c2C)CC1 ZINC000600682979 1027785356 /nfs/dbraw/zinc/78/53/56/1027785356.db2.gz DPPBBCNOCPVLPI-ZDUSSCGKSA-N 0 1 306.837 3.873 20 30 DHEDMN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1cn2ccsc2n1 ZINC000577572181 1027824495 /nfs/dbraw/zinc/82/44/95/1027824495.db2.gz QFMNJRPPCHWJPO-KRWDZBQOSA-N 0 1 322.437 3.825 20 30 DHEDMN N#Cc1ccc(CN2CCC(Cc3ccccn3)CC2)cc1F ZINC000365235604 1027907522 /nfs/dbraw/zinc/90/75/22/1027907522.db2.gz XOJRSOPUGRRPQD-UHFFFAOYSA-N 0 1 309.388 3.547 20 30 DHEDMN CC(C)(C)c1nc2ccc(NC(=O)C3(C#N)CC4(CC4)C3)cc2[nH]1 ZINC000600977576 1027924955 /nfs/dbraw/zinc/92/49/55/1027924955.db2.gz KFZGNMAEKAJHAJ-UHFFFAOYSA-N 0 1 322.412 3.883 20 30 DHEDMN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccnn1CC1CCC1 ZINC000601127657 1027995742 /nfs/dbraw/zinc/99/57/42/1027995742.db2.gz MOUBLVVXLIGVQR-FQEVSTJZSA-N 0 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C[C@H](C#N)Oc1ccc(CN[C@@H]2C[C@@]2(F)c2ccccc2)cc1 ZINC000818230734 1029358615 /nfs/dbraw/zinc/35/86/15/1029358615.db2.gz RTQRHZLRIFUBDC-NIKGAXFTSA-N 0 1 310.372 3.704 20 30 DHEDMN CN(CCC#N)c1ccc(CN[C@@H]2C[C@]2(F)c2ccccc2)cc1 ZINC000818231508 1029358679 /nfs/dbraw/zinc/35/86/79/1029358679.db2.gz XPCMRLPRZQJAHC-UXHICEINSA-N 0 1 323.415 3.763 20 30 DHEDMN COc1ccc(CN[C@H](c2ccc(F)cn2)C(C)C)cc1C#N ZINC000779412036 1029368945 /nfs/dbraw/zinc/36/89/45/1029368945.db2.gz IPCUETFDJLPEDK-SFHVURJKSA-N 0 1 313.376 3.588 20 30 DHEDMN C#CCN1CCC(C(=O)N(CCCC)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000818801912 1029433645 /nfs/dbraw/zinc/43/36/45/1029433645.db2.gz HLTCWGQYZVLYMA-MJGOQNOKSA-N 0 1 318.505 3.539 20 30 DHEDMN CC[C@](C)(COc1ncccc1Cl)NCC1(C#N)CCC1 ZINC000450604833 1029564251 /nfs/dbraw/zinc/56/42/51/1029564251.db2.gz XSULVMQEEVHVMZ-OAHLLOKOSA-N 0 1 307.825 3.566 20 30 DHEDMN C=CCC(C)(C)CNC(=O)c1ccc(CN2CCCCC2)o1 ZINC000820501459 1029732473 /nfs/dbraw/zinc/73/24/73/1029732473.db2.gz 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N#Cc1cccc(C2(NCc3cc(F)c(F)c(F)c3)CC2)c1 ZINC000560070721 332308597 /nfs/dbraw/zinc/30/85/97/332308597.db2.gz HTHJXINZWOAEKN-UHFFFAOYSA-N 0 1 302.299 3.754 20 30 DHEDMN C[C@H](NCc1ccc(C#N)cn1)c1ccc(-c2ccncc2)cc1 ZINC000562046193 332536277 /nfs/dbraw/zinc/53/62/77/332536277.db2.gz UECRLBMOXQWFFA-HNNXBMFYSA-N 0 1 314.392 3.866 20 30 DHEDMN N#CCC[C@@H](NCc1ccc(N2CCCC2)nc1)c1ccccc1 ZINC000130419201 332536923 /nfs/dbraw/zinc/53/69/23/332536923.db2.gz RFQXKRDBNZQGTD-LJQANCHMSA-N 0 1 320.440 3.816 20 30 DHEDMN C=CCC[C@H](C)N[C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000185126520 335115170 /nfs/dbraw/zinc/11/51/70/335115170.db2.gz MYLCUNGPHUZXIY-QWHCGFSZSA-N 0 1 301.390 3.751 20 30 DHEDMN CC(=O)Nc1cccc([C@@H](C)NCc2ccc(F)c(C#N)c2)c1 ZINC000182529193 333041298 /nfs/dbraw/zinc/04/12/98/333041298.db2.gz OSSCSXXNCQICKI-GFCCVEGCSA-N 0 1 311.360 3.507 20 30 DHEDMN C=CCOc1ccc(CNCc2ccc(Br)o2)cc1 ZINC000378943095 333066187 /nfs/dbraw/zinc/06/61/87/333066187.db2.gz JQOVWZWBXABQKD-UHFFFAOYSA-N 0 1 322.202 3.897 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ZINC000187767712 334271575 /nfs/dbraw/zinc/27/15/75/334271575.db2.gz JSIHMKOEQWNFCT-UHFFFAOYSA-N 0 1 319.364 3.881 20 30 DHEDMN C#CCCCCC(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000119743926 334285087 /nfs/dbraw/zinc/28/50/87/334285087.db2.gz HMDGBBJTTLTYMQ-INIZCTEOSA-N 0 1 311.385 3.547 20 30 DHEDMN Cc1csc(C(C#N)C(=O)c2cc3c(s2)CCCC3)n1 ZINC000041521692 334333862 /nfs/dbraw/zinc/33/38/62/334333862.db2.gz QLBMEQVWGMQMCF-NSHDSACASA-N 0 1 302.424 3.882 20 30 DHEDMN C=C(C)CN(CC)C(=O)CN(Cc1ccoc1)C1CCCCC1 ZINC000303961290 334350576 /nfs/dbraw/zinc/35/05/76/334350576.db2.gz ZQTKHAPHDNWZMG-UHFFFAOYSA-N 0 1 318.461 3.839 20 30 DHEDMN COc1ccc(CNC2(c3cccc(C#N)c3)CC2)c(C)c1OC ZINC000342162008 334518304 /nfs/dbraw/zinc/51/83/04/334518304.db2.gz MHTBUMLCEKJPMS-UHFFFAOYSA-N 0 1 322.408 3.663 20 30 DHEDMN COC[C@@H](NCc1cc(C#N)cs1)c1cccc(Cl)c1 ZINC000342409874 334539317 /nfs/dbraw/zinc/53/93/17/334539317.db2.gz AFZXCYQCSNELJM-OAHLLOKOSA-N 0 1 306.818 3.750 20 30 DHEDMN CCS[C@@H]1CCCC[C@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000330770692 334809148 /nfs/dbraw/zinc/80/91/48/334809148.db2.gz BKSRFSBZNVNFAZ-ZIAGYGMSSA-N 0 1 324.402 3.669 20 30 DHEDMN N#Cc1csc(CN[C@@H]2CCCOc3ccc(F)cc32)c1 ZINC000343690710 335188484 /nfs/dbraw/zinc/18/84/84/335188484.db2.gz JKEYOPCSESMAOH-OAHLLOKOSA-N 0 1 302.374 3.762 20 30 DHEDMN C=C(CNCc1nccn1Cc1ccccc1)c1ccccc1 ZINC000343787609 335193055 /nfs/dbraw/zinc/19/30/55/335193055.db2.gz RDYWHCDCGDBWFQ-UHFFFAOYSA-N 0 1 303.409 3.734 20 30 DHEDMN COc1ccc2c(c1)[C@@H](N[C@H](C)c1cccc(C#N)c1)CCO2 ZINC000344123253 335219565 /nfs/dbraw/zinc/21/95/65/335219565.db2.gz YSELHZZCBNHLBY-ACJLOTCBSA-N 0 1 308.381 3.741 20 30 DHEDMN N#Cc1ccc(CNC2(c3ccc(Cl)cc3)CCOCC2)o1 ZINC000344343313 335242923 /nfs/dbraw/zinc/24/29/23/335242923.db2.gz BJSCYAZWYFXBEU-UHFFFAOYSA-N 0 1 316.788 3.600 20 30 DHEDMN Cc1cc(C(C#N)C(=O)c2ccc(-c3ccccc3)o2)nc(C)n1 ZINC000344461139 335250571 /nfs/dbraw/zinc/25/05/71/335250571.db2.gz YBJKOOCYPMEDSJ-HNNXBMFYSA-N 0 1 317.348 3.844 20 30 DHEDMN C=CCOc1ccc(CNc2cnccc2-n2cc(C)cn2)cc1 ZINC000345017940 335291736 /nfs/dbraw/zinc/29/17/36/335291736.db2.gz VLCPTFROZAAEEG-UHFFFAOYSA-N 0 1 320.396 3.753 20 30 DHEDMN COCc1cccc(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)c1 ZINC000345388185 335322500 /nfs/dbraw/zinc/32/25/00/335322500.db2.gz ZCBUVABJSXFECC-HNNXBMFYSA-N 0 1 319.364 3.508 20 30 DHEDMN CSc1cc(CN[C@@H](C)c2ccc(C#N)c(F)c2)ccn1 ZINC000346124796 335376631 /nfs/dbraw/zinc/37/66/31/335376631.db2.gz DKSPWAJLJOCTJG-NSHDSACASA-N 0 1 301.390 3.665 20 30 DHEDMN CCCCn1cc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c(C)n1 ZINC000346153113 335382476 /nfs/dbraw/zinc/38/24/76/335382476.db2.gz FQVPKEIWQPHBPU-ZDUSSCGKSA-N 0 1 314.408 3.853 20 30 DHEDMN CCc1ccc(CN2CCC(Oc3ccc(C#N)cc3)CC2)cn1 ZINC000347828143 335531199 /nfs/dbraw/zinc/53/11/99/335531199.db2.gz ZTUKZCOOCGCUPF-UHFFFAOYSA-N 0 1 321.424 3.559 20 30 DHEDMN N#CCc1ccc(CNCc2ccccc2OCC2CC2)cc1 ZINC000582180883 335734825 /nfs/dbraw/zinc/73/48/25/335734825.db2.gz USUHWCNWMUCKHA-UHFFFAOYSA-N 0 1 306.409 3.831 20 30 DHEDMN Cc1cc(CNc2nccn2Cc2ccccc2)ccc1C#N ZINC000351546120 336042178 /nfs/dbraw/zinc/04/21/78/336042178.db2.gz OKTVWYMJOHOKPQ-UHFFFAOYSA-N 0 1 302.381 3.724 20 30 DHEDMN Cc1cnn([C@@H]2CCN(C([O-])=[NH+]CC3CCC(C)(C)CC3)C2)c1 ZINC000329725166 336070979 /nfs/dbraw/zinc/07/09/79/336070979.db2.gz ODHONAHLXLODQT-MRXNPFEDSA-N 0 1 318.465 3.569 20 30 DHEDMN CC(C)[C@@H]1CCC[C@H]([NH+]=C([O-])N2CC[C@@H](n3cccn3)C2)CC1 ZINC000329780721 336081030 /nfs/dbraw/zinc/08/10/30/336081030.db2.gz SBNMPDVYEPUDTM-IXDOHACOSA-N 0 1 318.465 3.649 20 30 DHEDMN [O-]C(=[NH+][C@@H]1CCCCC12CCCC2)N1CC[C@@H](n2cccn2)C1 ZINC000329808768 336084342 /nfs/dbraw/zinc/08/43/42/336084342.db2.gz MBYCCOJNTIFSTJ-HZPDHXFCSA-N 0 1 316.449 3.547 20 30 DHEDMN CC(C)(C)c1cnc(NC(=O)[C@H]2CCCc3[nH]ncc32)s1 ZINC000329821646 336086352 /nfs/dbraw/zinc/08/63/52/336086352.db2.gz GVOYIJAKZZDGCD-VIFPVBQESA-N 0 1 304.419 3.872 20 30 DHEDMN CC(C)(C)c1cnc(NC(=O)[C@@H]2CCCc3[nH]ncc32)s1 ZINC000329821645 336086438 /nfs/dbraw/zinc/08/64/38/336086438.db2.gz GVOYIJAKZZDGCD-SECBINFHSA-N 0 1 304.419 3.872 20 30 DHEDMN C[C@@H](C(=O)NC1CCC(C)CC1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000329952931 336099303 /nfs/dbraw/zinc/09/93/03/336099303.db2.gz NLWKVDKHMYZNIY-PWUWZPNHSA-N 0 1 318.465 3.513 20 30 DHEDMN CC[C@H](NC(=O)N[C@H]1CCCc2cn[nH]c21)c1cccs1 ZINC000330130542 336116298 /nfs/dbraw/zinc/11/62/98/336116298.db2.gz PDCFHBNYZMQEDX-RYUDHWBXSA-N 0 1 304.419 3.504 20 30 DHEDMN CCC[C@]1(C)CCCN(C(=O)N[C@H]2CCCc3cn[nH]c32)C1 ZINC000330146701 336117991 /nfs/dbraw/zinc/11/79/91/336117991.db2.gz SWZZQOTYLYJPQJ-WMLDXEAASA-N 0 1 304.438 3.603 20 30 DHEDMN O=C(NC[C@@H]1CCC2(CCCCC2)O1)[C@H]1CCCc2[nH]ncc21 ZINC000330156460 336118844 /nfs/dbraw/zinc/11/88/44/336118844.db2.gz PFBQSLVCQHAADP-KBPBESRZSA-N 0 1 317.433 3.668 20 30 DHEDMN CC1(C)C(=O)Nc2ccc(C(=O)N[C@@H]3CCCc4cn[nH]c43)cc21 ZINC000330221340 336126214 /nfs/dbraw/zinc/12/62/14/336126214.db2.gz LNQDHIYSQDDUBY-CQSZACIVSA-N 0 1 324.384 3.671 20 30 DHEDMN O=C(Nc1cc(F)ccc1O)[C@@H]1CCCCN1C1CCCC1 ZINC000330293586 336136387 /nfs/dbraw/zinc/13/63/87/336136387.db2.gz HXPJPHKRJTVWPX-HNNXBMFYSA-N 0 1 306.381 3.916 20 30 DHEDMN C=CC[C@@H]1N(C(=O)N[C@H]2CCCc3cn[nH]c32)CCCC1(C)C ZINC000333215579 336199938 /nfs/dbraw/zinc/19/99/38/336199938.db2.gz QODMQUWHYAYNDB-GJZGRUSLSA-N 0 1 316.449 3.563 20 30 DHEDMN C=CCOc1cccc(NS(=O)(=O)c2cc(C)sc2C)c1 ZINC000352697357 336231013 /nfs/dbraw/zinc/23/10/13/336231013.db2.gz AESLPLBHPDTFHC-UHFFFAOYSA-N 0 1 323.439 3.731 20 30 DHEDMN C=CCN(CCc1ccco1)Cc1cnn(Cc2ccccc2)c1 ZINC000352715748 336232062 /nfs/dbraw/zinc/23/20/62/336232062.db2.gz AROFLMAATTVYGN-UHFFFAOYSA-N 0 1 321.424 3.755 20 30 DHEDMN COc1ccc([C@H]2CCN(Cc3ccc(F)cc3C#N)C2)cc1 ZINC000103142143 336239447 /nfs/dbraw/zinc/23/94/47/336239447.db2.gz RDFKIIQZFXUWJD-INIZCTEOSA-N 0 1 310.372 3.695 20 30 DHEDMN CC[C@@H](CNCc1nc(C#N)cs1)Oc1cccc(Cl)c1 ZINC000352820371 336256087 /nfs/dbraw/zinc/25/60/87/336256087.db2.gz ADBZDYMBHRMBLK-ZDUSSCGKSA-N 0 1 321.833 3.615 20 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BKLJEKKCOYYSAS-UHFFFAOYSA-N 0 1 312.335 3.731 20 30 DHEDMN N#Cc1ccc(CN[C@@H](c2cccs2)C2CC2)c([N+](=O)[O-])c1 ZINC000565044661 341515650 /nfs/dbraw/zinc/51/56/50/341515650.db2.gz QYRNFJHGNLICKQ-MRXNPFEDSA-N 0 1 313.382 3.769 20 30 DHEDMN Cc1ccccc1C(C)(C)NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567994034 341644410 /nfs/dbraw/zinc/64/44/10/341644410.db2.gz BCHCFSSLPSUINW-UHFFFAOYSA-N 0 1 309.369 3.800 20 30 DHEDMN Cc1nc(C)c(CNCC#Cc2ccc(C(F)(F)F)cc2)s1 ZINC000177716043 341925160 /nfs/dbraw/zinc/92/51/60/341925160.db2.gz OWNHDKODMBXOGH-UHFFFAOYSA-N 0 1 324.371 3.920 20 30 DHEDMN CCC1(C)CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000266539879 521678056 /nfs/dbraw/zinc/67/80/56/521678056.db2.gz POBLWMUZSUGCRG-UHFFFAOYSA-N 0 1 310.401 3.620 20 30 DHEDMN CCCN(Cc1ccc(C#N)cc1)Cc1cccc2c1OCCO2 ZINC000338213063 521682881 /nfs/dbraw/zinc/68/28/81/521682881.db2.gz OOCSTUHXGMYMHO-UHFFFAOYSA-N 0 1 322.408 3.742 20 30 DHEDMN COC[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(F)c(F)c1 ZINC000183054727 522378932 /nfs/dbraw/zinc/37/89/32/522378932.db2.gz VXHZUKZUEUBKSP-KZULUSFZSA-N 0 1 316.351 3.875 20 30 DHEDMN COc1ccccc1[C@@H]1CCN(Cc2cc(F)ccc2C#N)C1 ZINC000160552176 524759434 /nfs/dbraw/zinc/75/94/34/524759434.db2.gz ZNYIROLPVYQONZ-OAHLLOKOSA-N 0 1 310.372 3.695 20 30 DHEDMN COc1ccccc1[C@H]1CCN(Cc2cc(F)ccc2C#N)C1 ZINC000160552310 524813464 /nfs/dbraw/zinc/81/34/64/524813464.db2.gz ZNYIROLPVYQONZ-HNNXBMFYSA-N 0 1 310.372 3.695 20 30 DHEDMN CN1CC[C@@H](Nc2nc(Cl)c(C#N)s2)[C@@H]1c1ccccc1 ZINC000286562477 536459232 /nfs/dbraw/zinc/45/92/32/536459232.db2.gz QYYSLAQKPGJORX-YPMHNXCESA-N 0 1 318.833 3.525 20 30 DHEDMN N#Cc1ccccc1CN1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000267440507 526736093 /nfs/dbraw/zinc/73/60/93/526736093.db2.gz HYAHMKLCTWYYTA-IAGOWNOFSA-N 0 1 312.438 3.708 20 30 DHEDMN Cn1cc(CNC(C)(C)c2cccc(Cl)c2F)cc1C#N ZINC000191614402 527215398 /nfs/dbraw/zinc/21/53/98/527215398.db2.gz PPDLIMJFKYASGR-UHFFFAOYSA-N 0 1 305.784 3.714 20 30 DHEDMN CCN(CC)c1ncc(CN[C@H](C)c2ccc(C#N)cc2)s1 ZINC000298790902 535693493 /nfs/dbraw/zinc/69/34/93/535693493.db2.gz RKJGOWMRSIVALP-CYBMUJFWSA-N 0 1 314.458 3.712 20 30 DHEDMN N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000739140414 601029823 /nfs/dbraw/zinc/02/98/23/601029823.db2.gz SXZUPHWVZPBZKN-SFHVURJKSA-N 0 1 320.392 3.522 20 30 DHEDMN N#Cc1cccc([C@@H](C(=O)[O-])[N@@H+]2CCC[C@H]2c2cccs2)c1 ZINC000833074162 601309966 /nfs/dbraw/zinc/30/99/66/601309966.db2.gz QGMCPOHUBUZISK-HOCLYGCPSA-N 0 1 312.394 3.583 20 30 DHEDMN N#Cc1cccc([C@@H](C(=O)[O-])[N@H+]2CCC[C@H]2c2cccs2)c1 ZINC000833074162 601309969 /nfs/dbraw/zinc/30/99/69/601309969.db2.gz QGMCPOHUBUZISK-HOCLYGCPSA-N 0 1 312.394 3.583 20 30 DHEDMN C[N@@H+](CCC1CCCCC1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830751907 601313689 /nfs/dbraw/zinc/31/36/89/601313689.db2.gz JOBLRYBLVNECIP-QGZVFWFLSA-N 0 1 300.402 3.586 20 30 DHEDMN CCC[N@@H+](Cc1ccsc1C(=O)[O-])Cc1ccc(C#N)cc1 ZINC000829497054 601807657 /nfs/dbraw/zinc/80/76/57/601807657.db2.gz VQZOLUAGLHOFHK-UHFFFAOYSA-N 0 1 314.410 3.730 20 30 DHEDMN CC(C)C[N@@H+](Cc1cccc(C(=O)[O-])c1C#N)C1CCCC1 ZINC000833487312 604604894 /nfs/dbraw/zinc/60/48/94/604604894.db2.gz COXRNXGURXPPJJ-UHFFFAOYSA-N 0 1 300.402 3.657 20 30 DHEDMN CC[C@@H](C)[C@@H](C)[N@@H+](Cc1cccc(C(=O)[O-])c1C#N)C1CC1 ZINC000833637326 604607240 /nfs/dbraw/zinc/60/72/40/604607240.db2.gz COBGNQKYWUOPKG-CHWSQXEVSA-N 0 1 300.402 3.655 20 30 DHEDMN CC(C)[N@@H+](Cc1cccc(C(=O)[O-])c1C#N)C1CCCCC1 ZINC000833497701 604614790 /nfs/dbraw/zinc/61/47/90/604614790.db2.gz FZKHILPTZHBRJL-UHFFFAOYSA-N 0 1 300.402 3.800 20 30 DHEDMN C[C@H](c1ccc(C(=O)[O-])o1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000833548044 605058292 /nfs/dbraw/zinc/05/82/92/605058292.db2.gz ZTIFEAFJRQREFS-CYBMUJFWSA-N 0 1 322.364 3.700 20 30 DHEDMN CCCCCCCCCCN=Nc1oc(C)nc1-c1nn[nH]n1 ZINC000825271155 607886884 /nfs/dbraw/zinc/88/68/84/607886884.db2.gz IAMQTZNTDZBQQY-UHFFFAOYSA-N 0 1 319.413 3.702 20 30 DHEDMN CC(C)N(Cc1ccc(C#N)cc1)CC1(Br)CC1 ZINC000846782520 1032067514 /nfs/dbraw/zinc/06/75/14/1032067514.db2.gz OXKYOLMFGDKMRH-UHFFFAOYSA-N 0 1 307.235 3.696 20 30 DHEDMN C=CCC[C@@H](C(=O)N[C@@H]1CCCc2cn[nH]c21)c1ccccc1 ZINC000275116590 1013164300 /nfs/dbraw/zinc/16/43/00/1013164300.db2.gz IEZYGCWLSXDNJW-IAGOWNOFSA-N 0 1 309.413 3.653 20 30 DHEDMN CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC001588607632 959491327 /nfs/dbraw/zinc/49/13/27/959491327.db2.gz OMFUKNUXAYKOCW-HNNXBMFYSA-N 0 1 314.429 3.565 20 30 DHEDMN N#Cc1csc(CN(CCCO)Cc2cccc(Cl)c2)c1 ZINC000092063629 1013277506 /nfs/dbraw/zinc/27/75/06/1013277506.db2.gz HHXBBKBKYAGDFZ-UHFFFAOYSA-N 0 1 320.845 3.658 20 30 DHEDMN C=CCCCCCCN1CCN(C(=O)c2ccccc2)C[C@H]1C ZINC001209438411 1013282991 /nfs/dbraw/zinc/28/29/91/1013282991.db2.gz KYBOYQLWWPBPIA-GOSISDBHSA-N 0 1 314.473 3.969 20 30 DHEDMN COc1ccc(C[N@@H+](Cc2ccc(F)cc2)C2CC2)cc1C#N ZINC000340128933 1013331064 /nfs/dbraw/zinc/33/10/64/1013331064.db2.gz XQCWFSCEHBIFJI-UHFFFAOYSA-N 0 1 310.372 3.871 20 30 DHEDMN COc1ccc(CN(Cc2ccc(F)cc2)C2CC2)cc1C#N ZINC000340128933 1013331077 /nfs/dbraw/zinc/33/10/77/1013331077.db2.gz XQCWFSCEHBIFJI-UHFFFAOYSA-N 0 1 310.372 3.871 20 30 DHEDMN C#C[C@@H](NC1CC2(C1)CO[C@@H](C)C2)c1ccc(Cl)cc1F ZINC000894408153 1013335019 /nfs/dbraw/zinc/33/50/19/1013335019.db2.gz ZVKYNGUDWHSFLR-NYMYAYCPSA-N 0 1 307.796 3.701 20 30 DHEDMN C=C[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](Cc2csc3ccccc23)C1 ZINC001573345076 962925669 /nfs/dbraw/zinc/92/56/69/962925669.db2.gz GEMKVTCYJVFFDH-XJKSGUPXSA-N 0 1 315.438 3.795 20 30 DHEDMN CN(CC(C)(C)C#N)C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000894608919 1013429293 /nfs/dbraw/zinc/42/92/93/1013429293.db2.gz AWVFFWQUPCHWAU-SFHVURJKSA-N 0 1 323.481 3.505 20 30 DHEDMN C=CCCCN(CC)C(=O)c1ccc(CN2CCCCC2)o1 ZINC000890809967 1013507681 /nfs/dbraw/zinc/50/76/81/1013507681.db2.gz ILRMNDHGNZNBTE-UHFFFAOYSA-N 0 1 304.434 3.694 20 30 DHEDMN C[C@H](C#N)Oc1ccc(/C=C\C(=O)c2ccc(O)c(F)c2)cc1 ZINC000255083043 1013656551 /nfs/dbraw/zinc/65/65/51/1013656551.db2.gz OWCSBCGVTAWMGT-HXUAIIEXSA-N 0 1 311.312 3.718 20 30 DHEDMN Cc1sc(NC(=O)CN(C2CC2)C2CCCC2)c(C#N)c1C ZINC000177020925 1013698175 /nfs/dbraw/zinc/69/81/75/1013698175.db2.gz OLRLGZCRFYQQHO-UHFFFAOYSA-N 0 1 317.458 3.582 20 30 DHEDMN CC(C)c1nc(CNCc2ccc(C#N)s2)c2ccccn21 ZINC000579239142 1013715251 /nfs/dbraw/zinc/71/52/51/1013715251.db2.gz KNYRFESCGPJLEQ-UHFFFAOYSA-N 0 1 310.426 3.681 20 30 DHEDMN C=C(C)CN(CC)C(=O)CN1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000441348975 1013724201 /nfs/dbraw/zinc/72/42/01/1013724201.db2.gz RLVAVTUSMCZRGN-YJBOKZPZSA-N 0 1 318.436 3.633 20 30 DHEDMN C[C@H](c1cccc(C#N)c1)N(C)Cc1cnn(CC2CCC2)c1 ZINC000895017771 1013774813 /nfs/dbraw/zinc/77/48/13/1013774813.db2.gz GPNFJXBCBGIYJA-OAHLLOKOSA-N 0 1 308.429 3.748 20 30 DHEDMN O=C(Nc1cccc(-c2cn[nH]n2)c1)[C@H]1CCCC(F)(F)C1 ZINC000328650415 1013789768 /nfs/dbraw/zinc/78/97/68/1013789768.db2.gz AZDQJXXZQANXNN-NSHDSACASA-N 0 1 306.316 3.885 20 30 DHEDMN Cc1cc([C@@H]2CCCN(C(=O)NC[C@@H]3CCCC[C@@H]3C)C2)n[nH]1 ZINC000328717129 1013794045 /nfs/dbraw/zinc/79/40/45/1013794045.db2.gz UKSNARMBAODHJO-CWRNSKLLSA-N 0 1 318.465 3.638 20 30 DHEDMN C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1coc(C2CCCCC2)n1 ZINC000328759053 1013795206 /nfs/dbraw/zinc/79/52/06/1013795206.db2.gz WMIYMACJHPNIAO-IUODEOHRSA-N 0 1 317.433 3.510 20 30 DHEDMN CC[C@@H]1CCC[C@H](NC(=O)N2CCC[C@H](c3cc(C)[nH]n3)C2)C1 ZINC000328748585 1013795749 /nfs/dbraw/zinc/79/57/49/1013795749.db2.gz QLXNQHWHKQBALN-PMPSAXMXSA-N 0 1 318.465 3.780 20 30 DHEDMN C=CCN(Cc1ccc(Cl)s1)C[C@@H](O)CCOC(C)C ZINC000349246167 1013809480 /nfs/dbraw/zinc/80/94/80/1013809480.db2.gz WLHBKGYCIQYCAO-ZDUSSCGKSA-N 0 1 317.882 3.566 20 30 DHEDMN C=CCN(CCCc1cc(CC)no1)Cc1ccccc1F ZINC000580010455 1013870289 /nfs/dbraw/zinc/87/02/89/1013870289.db2.gz DWDDHVYOVUCLOY-UHFFFAOYSA-N 0 1 302.393 3.997 20 30 DHEDMN Cc1noc2ncc(CN(C)[C@H](C)c3cccc(C#N)c3)cc12 ZINC000895055055 1013876656 /nfs/dbraw/zinc/87/66/56/1013876656.db2.gz HXIKNUHHGOAPSB-CYBMUJFWSA-N 0 1 306.369 3.596 20 30 DHEDMN C[C@H](NCc1cnn(-c2ccc(F)cc2)c1)c1cccc(C#N)c1 ZINC000610345286 1013953234 /nfs/dbraw/zinc/95/32/34/1013953234.db2.gz ZQFCLIMNDIZSJW-AWEZNQCLSA-N 0 1 320.371 3.734 20 30 DHEDMN C=C[C@@H](CC)CC(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC001125415496 1014009012 /nfs/dbraw/zinc/00/90/12/1014009012.db2.gz NZFASFJEIGOCPA-JTQLQIEISA-N 0 1 304.781 3.666 20 30 DHEDMN O=C(/C=C\c1cnn(Cc2ccccc2)c1)c1ccc(O)c(F)c1 ZINC000254937263 1014052826 /nfs/dbraw/zinc/05/28/26/1014052826.db2.gz YCJDWAGCUSEKCU-VURMDHGXSA-N 0 1 322.339 3.672 20 30 DHEDMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC001603498620 973460669 /nfs/dbraw/zinc/46/06/69/973460669.db2.gz QFMPPDRIXMJNMR-SFHVURJKSA-N 0 1 308.381 3.520 20 30 DHEDMN C=C[C@](C)(CCOC)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000189622180 1014198528 /nfs/dbraw/zinc/19/85/28/1014198528.db2.gz BOXYTSKPWPXPCJ-MRXNPFEDSA-N 0 1 323.343 3.668 20 30 DHEDMN COc1ccc2oc(/C=C/C(=O)c3ccc(O)cc3O)cc2c1 ZINC000160539540 1014200663 /nfs/dbraw/zinc/20/06/63/1014200663.db2.gz AVNWUEXCSDIABR-ZZXKWVIFSA-N 0 1 310.305 3.749 20 30 DHEDMN C=CCCCC[N@H+](CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000567279939 974631967 /nfs/dbraw/zinc/63/19/67/974631967.db2.gz HQZBCXMVPPVENS-UHFFFAOYSA-N 0 1 315.335 3.948 20 30 DHEDMN COc1cc(/C=C\C(=O)c2ccc(C)s2)cc([N+](=O)[O-])c1O ZINC000211710676 1014306671 /nfs/dbraw/zinc/30/66/71/1014306671.db2.gz SDGHQHFHZWLZMY-PLNGDYQASA-N 0 1 319.338 3.575 20 30 DHEDMN C[C@@H](C1CCCCC1)[N@@H+](C)Cc1cccc(C(=O)[O-])c1C#N ZINC001592180691 977095262 /nfs/dbraw/zinc/09/52/62/977095262.db2.gz DDZXUZYSIQOKMW-ZDUSSCGKSA-N 0 1 300.402 3.657 20 30 DHEDMN C=C(C)C[N@H+](C)Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000428075676 1014576554 /nfs/dbraw/zinc/57/65/54/1014576554.db2.gz HQFVENCMSKFMLU-UHFFFAOYSA-N 0 1 323.362 3.958 20 30 DHEDMN C=C(C)CN(C)Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000428075676 1014576572 /nfs/dbraw/zinc/57/65/72/1014576572.db2.gz HQFVENCMSKFMLU-UHFFFAOYSA-N 0 1 323.362 3.958 20 30 DHEDMN CCC(CC)[N@H+](Cc1cccc(C(=O)[O-])c1C#N)CC(C)C ZINC001595116188 979474052 /nfs/dbraw/zinc/47/40/52/979474052.db2.gz IXUDLCGZMJSXPW-UHFFFAOYSA-N 0 1 302.418 3.903 20 30 DHEDMN CCC1(CC)CCC[N@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC001595374792 980888405 /nfs/dbraw/zinc/88/84/05/980888405.db2.gz VOHIYALESGPXIN-KRWDZBQOSA-N 0 1 314.429 3.976 20 30 DHEDMN N#Cc1ccc(C(=O)Nc2cccc(-c3nccs3)c2)cc1O ZINC000442646530 1014710909 /nfs/dbraw/zinc/71/09/09/1014710909.db2.gz KGIGIIIZKGELFO-UHFFFAOYSA-N 0 1 321.361 3.640 20 30 DHEDMN COc1cccc([C@H]2CCCN2Cc2ccc(C#N)c(OC)c2)c1 ZINC000442808637 1014741353 /nfs/dbraw/zinc/74/13/53/1014741353.db2.gz IBYQONHZPQGWQY-LJQANCHMSA-N 0 1 322.408 3.913 20 30 DHEDMN COc1cc(CN2CCCC[C@@H]2c2cccn2C)ccc1C#N ZINC000442884094 1014760990 /nfs/dbraw/zinc/76/09/90/1014760990.db2.gz WVDNXUIQBDBREF-GOSISDBHSA-N 0 1 309.413 3.633 20 30 DHEDMN COc1ccc(CN2CCCC[C@H]2c2cccn2C)cc1C#N ZINC000135116448 1014762559 /nfs/dbraw/zinc/76/25/59/1014762559.db2.gz LLGNMQWNTIXLTA-SFHVURJKSA-N 0 1 309.413 3.633 20 30 DHEDMN CC(C)CN(CCC#N)CCc1ccccc1Br ZINC001167458229 1014779654 /nfs/dbraw/zinc/77/96/54/1014779654.db2.gz SQNFHVBNGCYLHR-UHFFFAOYSA-N 0 1 309.251 3.863 20 30 DHEDMN C=CCOc1cccc(CN2CC(C)(C)O[C@@H]3CCC[C@H]32)c1 ZINC000442970705 1014784269 /nfs/dbraw/zinc/78/42/69/1014784269.db2.gz UMFMVQGMDVYQPB-QZTJIDSGSA-N 0 1 301.430 3.783 20 30 DHEDMN CCCCCCCC[N@H+]1CC[C@H](C(=O)[O-])C[C@@H]1[C@H]1CCCO1 ZINC001595704374 982274406 /nfs/dbraw/zinc/27/44/06/982274406.db2.gz IVBDUOIIHNVTOQ-GVDBMIGSSA-N 0 1 311.466 3.691 20 30 DHEDMN CCCCCCC[N@H+]1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC001595704506 982275814 /nfs/dbraw/zinc/27/58/14/982275814.db2.gz RCKYZMYMLPZBJD-UHFFFAOYSA-N 0 1 305.418 3.722 20 30 DHEDMN N#CCCC1CCN(Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000581427350 1014846868 /nfs/dbraw/zinc/84/68/68/1014846868.db2.gz OGWALYUJUQFFOZ-UHFFFAOYSA-N 0 1 313.376 3.996 20 30 DHEDMN C#C[C@](C)(CC)[NH2+][C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001588367101 983296940 /nfs/dbraw/zinc/29/69/40/983296940.db2.gz ISNSLULEVPSVQO-TZMCWYRMSA-N 0 1 300.185 3.511 20 30 DHEDMN C=CC[C@H](C(=O)[O-])[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001588729623 983991894 /nfs/dbraw/zinc/99/18/94/983991894.db2.gz LULSMOZSXDAGMH-TZMCWYRMSA-N 0 1 313.319 3.524 20 30 DHEDMN C=CC[N@H+](Cc1cc(C(=O)[O-])c(CC)[nH]1)CC1CCCCC1 ZINC001588829167 984311948 /nfs/dbraw/zinc/31/19/48/984311948.db2.gz GOOWZGFXDQKVGC-UHFFFAOYSA-N 0 1 304.434 3.844 20 30 DHEDMN N#CC[C@H]1CCCN(Cc2cccc(Oc3ccccn3)c2)C1 ZINC000895310666 1015042555 /nfs/dbraw/zinc/04/25/55/1015042555.db2.gz REAMXNXTQJVSJC-MRXNPFEDSA-N 0 1 307.397 4.000 20 30 DHEDMN CCCC[C@H](C)N(C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000581636588 1015101343 /nfs/dbraw/zinc/10/13/43/1015101343.db2.gz GWUKKGZESSDUDH-LBPRGKRZSA-N 0 1 307.825 3.661 20 30 DHEDMN C=CC[C@H]1CCN(Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000625704427 1015158189 /nfs/dbraw/zinc/15/81/89/1015158189.db2.gz SIVKDECYXFUHFJ-LBPRGKRZSA-N 0 1 303.793 3.788 20 30 DHEDMN CCC[C@H](C#N)NC(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843569553 1015188694 /nfs/dbraw/zinc/18/86/94/1015188694.db2.gz 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C[C@H](C(=O)Nc1cc(C#N)ccc1O)c1ccc(Cl)s1 ZINC000176181049 1015779476 /nfs/dbraw/zinc/77/94/76/1015779476.db2.gz FJSKSQKFAXINSU-QMMMGPOBSA-N 0 1 306.774 3.721 20 30 DHEDMN N#Cc1ccccc1C[N@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000277022014 1015851750 /nfs/dbraw/zinc/85/17/50/1015851750.db2.gz LMGYRTVCQNOQFI-UHFFFAOYSA-N 0 1 324.399 3.879 20 30 DHEDMN N#Cc1ccccc1CN(Cc1ccc(F)cc1)C1CCOCC1 ZINC000277022014 1015851758 /nfs/dbraw/zinc/85/17/58/1015851758.db2.gz LMGYRTVCQNOQFI-UHFFFAOYSA-N 0 1 324.399 3.879 20 30 DHEDMN N#CCSCCCSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000341952439 1015856955 /nfs/dbraw/zinc/85/69/55/1015856955.db2.gz QIDUIUFFKGMBQH-BQYQJAHWSA-N 0 1 316.455 3.714 20 30 DHEDMN CCN(CC)Cc1ccc(C(=O)Nc2cccc(C#N)c2C)o1 ZINC000610907367 1015939298 /nfs/dbraw/zinc/93/92/98/1015939298.db2.gz UYCGRMMUPOPOMA-UHFFFAOYSA-N 0 1 311.385 3.554 20 30 DHEDMN CCOc1ccc([C@@H]2CCC[N@H+]2Cc2ccnc(C#N)c2)cc1 ZINC000610991770 1015996287 /nfs/dbraw/zinc/99/62/87/1015996287.db2.gz YREZSLCCOGPPCT-IBGZPJMESA-N 0 1 307.397 3.689 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ZINC000847050532 1032187996 /nfs/dbraw/zinc/18/79/96/1032187996.db2.gz AMIGOMYDKPIFEA-UHFFFAOYSA-N 0 1 303.818 3.837 20 30 DHEDMN C#CCOc1ccccc1CN[C@@H]1CSCCc2ccccc21 ZINC000772986138 1032366567 /nfs/dbraw/zinc/36/65/67/1032366567.db2.gz AFXWXBJZXITTAD-LJQANCHMSA-N 0 1 323.461 3.819 20 30 DHEDMN N#Cc1ccc2c(c1)CCN([C@@H]1CCc3c(F)cc(F)cc3C1)C2 ZINC001171366140 1032517548 /nfs/dbraw/zinc/51/75/48/1032517548.db2.gz KVUBJMMCPSAHGX-GOSISDBHSA-N 0 1 324.374 3.752 20 30 DHEDMN C=CCOc1ccccc1[C@H](C)Nc1cccc(CN(C)C)n1 ZINC001171371762 1032528728 /nfs/dbraw/zinc/52/87/28/1032528728.db2.gz AARFDJZRBFPONP-HNNXBMFYSA-N 0 1 311.429 3.881 20 30 DHEDMN COc1ccc(CN[C@@H](C)c2cc(F)cc(F)c2)cc1C#N ZINC000773081191 1032551765 /nfs/dbraw/zinc/55/17/65/1032551765.db2.gz BJRYDPLEFQHTCZ-NSHDSACASA-N 0 1 302.324 3.696 20 30 DHEDMN CC1(C)CCCC[C@H]1NN=C1CCN(CCC(F)(F)F)CC1 ZINC000773126035 1032566080 /nfs/dbraw/zinc/56/60/80/1032566080.db2.gz QYGUCTYUWNSKOM-CQSZACIVSA-N 0 1 319.415 3.949 20 30 DHEDMN C=CCCCCCCCNC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC001625778339 1011976403 /nfs/dbraw/zinc/97/64/03/1011976403.db2.gz MJOJRSIQQMFJCJ-YOEHRIQHSA-N 0 1 303.450 3.718 20 30 DHEDMN Cc1csc([C@H](C#N)C(=O)c2cccc3c2OC(C)(C)C3)n1 ZINC000654968799 1012215799 /nfs/dbraw/zinc/21/57/99/1012215799.db2.gz LUXWXTZXPDDIFS-CYBMUJFWSA-N 0 1 312.394 3.655 20 30 DHEDMN Cc1csc(C(C#N)C(=O)c2cccc3c2OC(C)(C)C3)n1 ZINC000654968799 1012215813 /nfs/dbraw/zinc/21/58/13/1012215813.db2.gz LUXWXTZXPDDIFS-CYBMUJFWSA-N 0 1 312.394 3.655 20 30 DHEDMN C=CC[C@@H]1CCN1C(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000890552677 1012225172 /nfs/dbraw/zinc/22/51/72/1012225172.db2.gz QNUGCXUUXZOCEB-SECBINFHSA-N 0 1 307.806 3.582 20 30 DHEDMN Cc1cc(C)cc(CN2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000514004322 1012248773 /nfs/dbraw/zinc/24/87/73/1012248773.db2.gz HMQZSSCEYWVBRK-UHFFFAOYSA-N 0 1 323.415 3.636 20 30 DHEDMN Cc1cc(OCc2ccc(Br)cc2C#N)cc(C)n1 ZINC000514686784 1012412362 /nfs/dbraw/zinc/41/23/62/1012412362.db2.gz FUBAFWBZBHVBLE-UHFFFAOYSA-N 0 1 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Cc1cc(C(C#N)C(=O)C[C@H](C)c2ccccc2C)nc(C)n1 ZINC000734964020 1020678979 /nfs/dbraw/zinc/67/89/79/1020678979.db2.gz QURFXWZWCUAQLK-SUMWQHHRSA-N 0 1 307.397 3.772 20 30 DHEDMN C=CCN(CC1CCCCC1)Cn1cnc(-c2ccccc2)n1 ZINC000735486628 1020738946 /nfs/dbraw/zinc/73/89/46/1020738946.db2.gz YLLASKNFTBKRBU-UHFFFAOYSA-N 0 1 310.445 3.971 20 30 DHEDMN CCCCCCN(C)CC(=O)N(CCC#N)c1ccc(F)cc1 ZINC000735656694 1020758622 /nfs/dbraw/zinc/75/86/22/1020758622.db2.gz HTPVUHACQURKBD-UHFFFAOYSA-N 0 1 319.424 3.584 20 30 DHEDMN Cc1cccc2nc([C@H](C#N)C(=O)C[C@H](C)n3cccc3)[nH]c21 ZINC000735789405 1020767209 /nfs/dbraw/zinc/76/72/09/1020767209.db2.gz OOJDWIWFGCDHHH-UONOGXRCSA-N 0 1 306.369 3.500 20 30 DHEDMN Cc1cccc(CCC(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)c1 ZINC000735790099 1020768056 /nfs/dbraw/zinc/76/80/56/1020768056.db2.gz UDYSCZCIAWQVKS-INIZCTEOSA-N 0 1 317.392 3.989 20 30 DHEDMN CCS[C@@H](C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1)C(C)C ZINC000735792025 1020769119 /nfs/dbraw/zinc/76/91/19/1020769119.db2.gz GPFDCXWDPHTHHC-MLGOLLRUSA-N 0 1 315.442 3.825 20 30 DHEDMN Cc1ccc(CC(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)s1 ZINC000735792071 1020769533 /nfs/dbraw/zinc/76/95/33/1020769533.db2.gz HBIAZOZYBAEBOP-CYBMUJFWSA-N 0 1 309.394 3.660 20 30 DHEDMN CC(C)c1csc([C@@H](C#N)C(=O)CCC2CCOCC2)n1 ZINC000177761781 1020788172 /nfs/dbraw/zinc/78/81/72/1020788172.db2.gz IZFIEMSPQQHHQD-ZDUSSCGKSA-N 0 1 306.431 3.650 20 30 DHEDMN FC(F)(F)COc1cccc(CNCC#Cc2ccccc2)c1 ZINC000736355195 1020810993 /nfs/dbraw/zinc/81/09/93/1020810993.db2.gz HMHAWNSZPKIGBM-UHFFFAOYSA-N 0 1 319.326 3.769 20 30 DHEDMN C#CCOc1ccc([C@H](C)NCc2ccc(C#N)cc2F)cc1 ZINC000177857724 1020829469 /nfs/dbraw/zinc/82/94/69/1020829469.db2.gz CMTPMXPXTJPLGW-AWEZNQCLSA-N 0 1 308.356 3.560 20 30 DHEDMN CCC1(CC)CN(Cc2ccc(C#N)cc2[N+](=O)[O-])CCS1 ZINC000580648316 1020850423 /nfs/dbraw/zinc/85/04/23/1020850423.db2.gz GENHXHNEUSAMEA-UHFFFAOYSA-N 0 1 319.430 3.574 20 30 DHEDMN C#CCN(CCC=C)[C@H]1CCOc2ccc(Br)cc21 ZINC000739916486 1020924827 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CC(C)(C)c1cnc(C(C#N)=C(O)C=CC2CCOCC2)s1 ZINC000797566581 1021465556 /nfs/dbraw/zinc/46/55/56/1021465556.db2.gz NRVZZPKZWXZMJV-MUBLQREKSA-N 0 1 318.442 3.600 20 30 DHEDMN CC(C)CO[C@@H](C)C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797569283 1021470416 /nfs/dbraw/zinc/47/04/16/1021470416.db2.gz ADAMFUOCZYVUGH-NWDGAFQWSA-N 0 1 308.447 3.678 20 30 DHEDMN CN(C)c1ccc(C(N)=NOCc2cccc3ccccc32)cc1 ZINC000918185486 1021476678 /nfs/dbraw/zinc/47/66/78/1021476678.db2.gz PTZASDTWGQCCES-UHFFFAOYSA-N 0 1 319.408 3.743 20 30 DHEDMN Cc1cccc2nc([C@@H](C#N)C(=O)C[C@@H]3CCC4(CCC4)O3)[nH]c21 ZINC000892706973 1021518775 /nfs/dbraw/zinc/51/87/75/1021518775.db2.gz XYMLCROGIIDRSO-KBPBESRZSA-N 0 1 323.396 3.539 20 30 DHEDMN COc1ccc([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)c(OC)c1 ZINC000618808070 1021533924 /nfs/dbraw/zinc/53/39/24/1021533924.db2.gz YVANDWZKTHPHSA-YJYMSZOUSA-N 0 1 322.408 3.914 20 30 DHEDMN C#CCOc1ccccc1CNCc1cc(F)ccc1SC ZINC000744448097 1021549742 /nfs/dbraw/zinc/54/97/42/1021549742.db2.gz 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FLDRGATUBMKTBK-UHFFFAOYSA-N 0 1 320.352 3.701 20 30 DHEDMN C[C@@H](c1ccc(C(=O)C(C#N)c2ccncn2)cc1)C(F)(F)F ZINC000453751861 1024586028 /nfs/dbraw/zinc/58/60/28/1024586028.db2.gz PQHSBCYPMKHZRD-GWCFXTLKSA-N 0 1 319.286 3.632 20 30 DHEDMN N#CC(C(=O)[C@H]1CC1(Cl)Cl)c1nccc2ccccc21 ZINC000792102597 1024626127 /nfs/dbraw/zinc/62/61/27/1024626127.db2.gz IRKAYLRDNURLNM-NWDGAFQWSA-N 0 1 305.164 3.605 20 30 DHEDMN N#CC(C(=O)c1cccc(Cl)n1)c1nccc2ccccc21 ZINC000792091545 1024629535 /nfs/dbraw/zinc/62/95/35/1024629535.db2.gz LFUHRWKGKDWAAH-ZDUSSCGKSA-N 0 1 307.740 3.773 20 30 DHEDMN N#Cc1ccc(CN(CCc2ccccc2)Cc2ccncc2)o1 ZINC000349060448 1024669978 /nfs/dbraw/zinc/66/99/78/1024669978.db2.gz GAALVGUDMSEPLH-UHFFFAOYSA-N 0 1 317.392 3.791 20 30 DHEDMN COc1ccc(C(=O)/C=C/c2cncc3ccccc23)c(O)c1 ZINC000772802543 1024692875 /nfs/dbraw/zinc/69/28/75/1024692875.db2.gz RHGXLFVWWVZWIC-RMKNXTFCSA-N 0 1 305.333 3.845 20 30 DHEDMN Cc1sc(NC(=O)CN2C[C@H](C)C[C@H](C)[C@H]2C)c(C#N)c1C ZINC000475745345 1024697865 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ZINC000793615534 1025131864 /nfs/dbraw/zinc/13/18/64/1025131864.db2.gz STRQBNWGTWBWGB-CVEARBPZSA-N 0 1 324.251 3.714 20 30 DHEDMN COc1cc(CN[C@H]2CCCOc3ccc(C)cc32)ccc1C#N ZINC000353608666 1025149627 /nfs/dbraw/zinc/14/96/27/1025149627.db2.gz JBKJSVOWZRIJOQ-SFHVURJKSA-N 0 1 322.408 3.879 20 30 DHEDMN COc1cc(CN[C@@H](CC(C)C)c2ccccn2)ccc1C#N ZINC000353626881 1025160805 /nfs/dbraw/zinc/16/08/05/1025160805.db2.gz UZDWBJPDENFDKJ-SFHVURJKSA-N 0 1 309.413 3.839 20 30 DHEDMN CC[C@H](Nc1cnn(-c2ccncc2)c1)c1ccc(C#N)cc1 ZINC000618575219 1025174861 /nfs/dbraw/zinc/17/48/61/1025174861.db2.gz ZMOULRWKCKHRNJ-SFHVURJKSA-N 0 1 303.369 3.702 20 30 DHEDMN CC[C@H](C)c1nc([C@@H](C)N[C@H]2CCc3ccc(C#N)cc32)n[nH]1 ZINC000353648336 1025176039 /nfs/dbraw/zinc/17/60/39/1025176039.db2.gz YSYCTTNANBAPFS-OZVIIMIRSA-N 0 1 309.417 3.528 20 30 DHEDMN N#C[C@@H]1CC[C@@H](NCc2cc(F)c(F)cc2Br)C1 ZINC000353950468 1025303500 /nfs/dbraw/zinc/30/35/00/1025303500.db2.gz BWSRLPGHQPYGKH-PSASIEDQSA-N 0 1 315.161 3.509 20 30 DHEDMN 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ZINC000886588805 1025726944 /nfs/dbraw/zinc/72/69/44/1025726944.db2.gz YYJHWRJVVYELNJ-HNNXBMFYSA-N 0 1 317.458 3.740 20 30 DHEDMN CSc1ccc(CN[C@H](C)c2cnc(C)s2)cc1C#N ZINC000886688769 1025792624 /nfs/dbraw/zinc/79/26/24/1025792624.db2.gz ZSVJCNNIUDUOKA-SNVBAGLBSA-N 0 1 303.456 3.896 20 30 DHEDMN C=CCC[C@H](NCc1nc(Cc2ccccc2F)no1)C1CC1 ZINC000886714771 1025826816 /nfs/dbraw/zinc/82/68/16/1025826816.db2.gz UQBMSDYJJWDSGH-INIZCTEOSA-N 0 1 315.392 3.634 20 30 DHEDMN C=CCOc1ccc(CN[C@@H](CCOC)c2ccco2)cc1 ZINC000355775254 1025833757 /nfs/dbraw/zinc/83/37/57/1025833757.db2.gz POASMXZQTLPNLS-KRWDZBQOSA-N 0 1 301.386 3.712 20 30 DHEDMN C=CCC1(O)CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000886764260 1025882386 /nfs/dbraw/zinc/88/23/86/1025882386.db2.gz OZIDRPHXGXGWLE-ZDUSSCGKSA-N 0 1 324.262 3.913 20 30 DHEDMN C=CCC1(O)CCN([C@@H](C)c2ccccc2Br)CC1 ZINC000886764403 1025883639 /nfs/dbraw/zinc/88/36/39/1025883639.db2.gz RXRJSGILKRKQQK-ZDUSSCGKSA-N 0 1 324.262 3.913 20 30 DHEDMN C=CCC1(O)CCN(Cc2ccc(Br)cc2C)CC1 ZINC000886776951 1025899143 /nfs/dbraw/zinc/89/91/43/1025899143.db2.gz UNDVWPZCFJBQKF-UHFFFAOYSA-N 0 1 324.262 3.661 20 30 DHEDMN COc1ccc([C@@H](C)N(C)Cc2ccc(C#N)cc2OC)cc1 ZINC000120474060 1025921014 /nfs/dbraw/zinc/92/10/14/1025921014.db2.gz VLYFKCOIHYTYEF-CQSZACIVSA-N 0 1 310.397 3.768 20 30 DHEDMN N#CC(C(=O)c1occc1-c1ccc(F)cc1)c1ccccn1 ZINC000152260036 1025935002 /nfs/dbraw/zinc/93/50/02/1025935002.db2.gz JWANZXSVVCGWDW-OAHLLOKOSA-N 0 1 306.296 3.971 20 30 DHEDMN N#C[C@@H](C(=O)c1occc1-c1ccc(F)cc1)c1ccccn1 ZINC000152260036 1025935012 /nfs/dbraw/zinc/93/50/12/1025935012.db2.gz JWANZXSVVCGWDW-OAHLLOKOSA-N 0 1 306.296 3.971 20 30 DHEDMN CCCCCn1cc(CNCc2cc(C#N)cs2)c(C)n1 ZINC000348396065 1025943456 /nfs/dbraw/zinc/94/34/56/1025943456.db2.gz VNLQRYBJHQNTIF-UHFFFAOYSA-N 0 1 302.447 3.605 20 30 DHEDMN COc1ccc(CN(C)CCC2(C#N)CCCCC2)cc1O ZINC000411341363 1025964917 /nfs/dbraw/zinc/96/49/17/1025964917.db2.gz ZDSKSWIUJPYVTB-UHFFFAOYSA-N 0 1 302.418 3.697 20 30 DHEDMN C=CCc1cccc(C(C)C)c1NC(=O)NCc1cc(N)ccn1 ZINC000886949015 1025987908 /nfs/dbraw/zinc/98/79/08/1025987908.db2.gz XJLDJLYBPKOJGN-UHFFFAOYSA-N 0 1 324.428 3.837 20 30 DHEDMN C[C@H]1C[N@@H+](CCCC(C)(C)C#N)C[C@@H](c2ccc(F)cc2)O1 ZINC000245408747 1026034680 /nfs/dbraw/zinc/03/46/80/1026034680.db2.gz ISPQNWYYVJCCLL-YOEHRIQHSA-N 0 1 304.409 3.917 20 30 DHEDMN C[C@H]1CN(CCCC(C)(C)C#N)C[C@@H](c2ccc(F)cc2)O1 ZINC000245408747 1026034699 /nfs/dbraw/zinc/03/46/99/1026034699.db2.gz ISPQNWYYVJCCLL-YOEHRIQHSA-N 0 1 304.409 3.917 20 30 DHEDMN N#C[C@H]1CC[C@H](NCc2nc(-c3ccccc3F)cs2)C1 ZINC000356406495 1026043300 /nfs/dbraw/zinc/04/33/00/1026043300.db2.gz MQCACSPRNJOSLM-RYUDHWBXSA-N 0 1 301.390 3.731 20 30 DHEDMN C[C@H]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)CCS1 ZINC000356434127 1026047769 /nfs/dbraw/zinc/04/77/69/1026047769.db2.gz WCRFEIFKQPCMRJ-NSHDSACASA-N 0 1 314.376 3.904 20 30 DHEDMN N#Cc1nc(-c2cc(F)c(O)c(F)c2)ccc1C(F)(F)F ZINC001244093526 1026081650 /nfs/dbraw/zinc/08/16/50/1026081650.db2.gz 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C=CC[C@@H]1CCN(Cc2cc(C#N)ccc2Br)C1 ZINC000599529326 1039199296 /nfs/dbraw/zinc/19/92/96/1039199296.db2.gz MMZMNMFUHRCCPT-GFCCVEGCSA-N 0 1 305.219 3.719 20 30 DHEDMN C=CCC1(NCc2noc(C)c2C(=O)OCC)CCCCC1 ZINC000599610864 1039234264 /nfs/dbraw/zinc/23/42/64/1039234264.db2.gz VYVVCOMMBSYRGA-UHFFFAOYSA-N 0 1 306.406 3.528 20 30 DHEDMN N#CCCC[C@@H](NCc1cc2n(n1)CCCC2)c1ccccc1 ZINC000593032352 1039360274 /nfs/dbraw/zinc/36/02/74/1039360274.db2.gz YVVIQIGISKELRW-LJQANCHMSA-N 0 1 308.429 3.744 20 30 DHEDMN Cc1c2cc(C#N)ccc2sc1-c1nc([C@H]2CCCN2)no1 ZINC000592356477 1039368463 /nfs/dbraw/zinc/36/84/63/1039368463.db2.gz ZTDSXXVAFDSBMT-GFCCVEGCSA-N 0 1 310.382 3.556 20 30 DHEDMN C=CCN(Cc1ccc(Cl)s1)C(=O)C(C)(C)c1c[nH]cn1 ZINC000574088397 1039387550 /nfs/dbraw/zinc/38/75/50/1039387550.db2.gz ZVMSJTVYRZSMPD-UHFFFAOYSA-N 0 1 323.849 3.617 20 30 DHEDMN N#CC(C(=O)C1(c2ccc(F)cc2)CCCC1)c1ccccn1 ZINC000046439211 1039637826 /nfs/dbraw/zinc/63/78/26/1039637826.db2.gz IMEFRWRSWGPDHT-MRXNPFEDSA-N 0 1 308.356 3.909 20 30 DHEDMN COc1cccc(CNCc2ccc(C(C)(C)C#N)cc2)c1OC ZINC000594495252 1039798959 /nfs/dbraw/zinc/79/89/59/1039798959.db2.gz OXZFZRPNOFXITG-UHFFFAOYSA-N 0 1 324.424 3.795 20 30 DHEDMN C[C@H](NCc1ccc(C(C)(C)C#N)cc1)C(=O)Nc1ccccc1 ZINC000594499308 1039799733 /nfs/dbraw/zinc/79/97/33/1039799733.db2.gz CFLUUIFVOYMYOJ-HNNXBMFYSA-N 0 1 321.424 3.605 20 30 DHEDMN N#Cc1ccc(C2(NCc3cc4cnccc4o3)CCC2)cc1 ZINC000594517625 1039825889 /nfs/dbraw/zinc/82/58/89/1039825889.db2.gz LJEVCPFCKIJGHF-UHFFFAOYSA-N 0 1 303.365 3.868 20 30 DHEDMN N#CC1(c2ccc(CNCc3ccc4c(n3)CCCC4)cc2)CC1 ZINC000594940210 1039955503 /nfs/dbraw/zinc/95/55/03/1039955503.db2.gz XFXAIFKGFSLDLV-UHFFFAOYSA-N 0 1 317.436 3.805 20 30 DHEDMN N#Cc1ccc(CNC[C@H](OC2CCCC2)C(F)(F)F)cc1 ZINC000594965703 1039970905 /nfs/dbraw/zinc/97/09/05/1039970905.db2.gz CQOYRRJCKQLIBX-HNNXBMFYSA-N 0 1 312.335 3.538 20 30 DHEDMN N#CC1(CNCc2ccc(OCC(F)F)cc2)CCCCC1 ZINC000594980840 1039994874 /nfs/dbraw/zinc/99/48/74/1039994874.db2.gz BUPMDMMPPOBBBU-UHFFFAOYSA-N 0 1 308.372 3.894 20 30 DHEDMN CC(C)[C@@H](O)[C@@H](NCc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000594990500 1040005601 /nfs/dbraw/zinc/00/56/01/1040005601.db2.gz RRAXFZXLAAQYNA-RBUKOAKNSA-N 0 1 312.388 3.545 20 30 DHEDMN C[C@H]1CN(CCc2ccc(C#N)cc2)[C@@H](c2ccccc2)CO1 ZINC000595332488 1040098908 /nfs/dbraw/zinc/09/89/08/1040098908.db2.gz GEQGQUXSAVFQEN-OXJNMPFZSA-N 0 1 306.409 3.563 20 30 DHEDMN C[C@@H]1CO[C@H](c2ccccc2)CN1CCc1ccc(C#N)cc1 ZINC000595305720 1040105179 /nfs/dbraw/zinc/10/51/79/1040105179.db2.gz JJGGJHCUOBUPEP-UZLBHIALSA-N 0 1 306.409 3.563 20 30 DHEDMN N#Cc1ccc(C2(NCc3cnc4ccccc4n3)CCC2)cc1 ZINC000595563806 1040163183 /nfs/dbraw/zinc/16/31/83/1040163183.db2.gz WQAGFRHNNBTZGJ-UHFFFAOYSA-N 0 1 314.392 3.670 20 30 DHEDMN COc1cccc([C@H]2C[C@@H](C)CN2Cc2cc(C#N)ccn2)c1 ZINC001168423207 1040193684 /nfs/dbraw/zinc/19/36/84/1040193684.db2.gz DYHPDPFBCVWHHW-AUUYWEPGSA-N 0 1 307.397 3.545 20 30 DHEDMN CC(C)(C)OC(=O)c1cccc(CN2CCC[C@@H](CC#N)C2)c1 ZINC000595622462 1040195077 /nfs/dbraw/zinc/19/50/77/1040195077.db2.gz AXGHQGHLXZZSTH-HNNXBMFYSA-N 0 1 314.429 3.768 20 30 DHEDMN N#CC[C@H]1CCCN(Cc2ccccc2OCC(F)(F)F)C1 ZINC000595615020 1040205916 /nfs/dbraw/zinc/20/59/16/1040205916.db2.gz OGXQJHZURGRWFK-CYBMUJFWSA-N 0 1 312.335 3.753 20 30 DHEDMN CCc1ccc(NC(=O)CNC(C)(C)c2cccc(C#N)c2)cc1 ZINC000595640611 1040210523 /nfs/dbraw/zinc/21/05/23/1040210523.db2.gz RIIPXPACAUVJNH-UHFFFAOYSA-N 0 1 321.424 3.584 20 30 DHEDMN COc1cc(C#N)ccc1CN1CC2CC1(c1ccccc1)C2 ZINC000595907073 1040273744 /nfs/dbraw/zinc/27/37/44/1040273744.db2.gz FPTCBIBUSFKNQG-UHFFFAOYSA-N 0 1 304.393 3.688 20 30 DHEDMN N#Cc1ccc2c(c1)[C@@H](NCc1cnccc1C(F)(F)F)CC2 ZINC000596118193 1040307918 /nfs/dbraw/zinc/30/79/18/1040307918.db2.gz RNKPXYUGWIZSGW-INIZCTEOSA-N 0 1 317.314 3.749 20 30 DHEDMN C=CCOc1cccc(NC(=O)c2cc(Cl)ccc2O)c1 ZINC000060014544 1040328773 /nfs/dbraw/zinc/32/87/73/1040328773.db2.gz PNMHLOSEALMZCS-UHFFFAOYSA-N 0 1 303.745 3.863 20 30 DHEDMN N#CC(C(=O)[C@@H]1C[C@@]12CCCc1ccccc12)c1ccccn1 ZINC000173950135 1040466101 /nfs/dbraw/zinc/46/61/01/1040466101.db2.gz ZRIUOHRMVINTCU-RIFZZMRRSA-N 0 1 302.377 3.552 20 30 DHEDMN CCCCC[C@H](C)CC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000173954642 1040469358 /nfs/dbraw/zinc/46/93/58/1040469358.db2.gz PKNZLIIGCUJREA-DOTOQJQBSA-N 0 1 314.429 3.618 20 30 DHEDMN CCCCC[C@@H](C)CC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000173954628 1040469418 /nfs/dbraw/zinc/46/94/18/1040469418.db2.gz PKNZLIIGCUJREA-NVXWUHKLSA-N 0 1 314.429 3.618 20 30 DHEDMN COc1ccc(-c2ccncc2)cc1CN1CCC[C@@H](CC#N)C1 ZINC000597175816 1040674987 /nfs/dbraw/zinc/67/49/87/1040674987.db2.gz FBHQDHJKAMOHGM-INIZCTEOSA-N 0 1 321.424 3.883 20 30 DHEDMN N#CC[C@H]1CCCN(Cc2ccccc2OCc2cccnc2)C1 ZINC000597173334 1040675166 /nfs/dbraw/zinc/67/51/66/1040675166.db2.gz IXBSIQJGRCVGNS-QGZVFWFLSA-N 0 1 321.424 3.786 20 30 DHEDMN COc1cc(CN2CCC[C@@H](CC#N)C2)c(SC)cc1OC ZINC000597173600 1040675559 /nfs/dbraw/zinc/67/55/59/1040675559.db2.gz KUEOCBHEFLSILV-ZDUSSCGKSA-N 0 1 320.458 3.551 20 30 DHEDMN COc1ccc(CN2CCC[C@@H](CC#N)C2)cc1OCC(C)C ZINC000597175293 1040676228 /nfs/dbraw/zinc/67/62/28/1040676228.db2.gz XZYZPOCDUCNOIL-INIZCTEOSA-N 0 1 316.445 3.856 20 30 DHEDMN CCCCOc1cc(CN2CCC[C@H](CC#N)C2)ccc1OC ZINC000597175099 1040678794 /nfs/dbraw/zinc/67/87/94/1040678794.db2.gz WKONYYDBQLQQGQ-MRXNPFEDSA-N 0 1 316.445 4.000 20 30 DHEDMN N#Cc1ccc(CN2CCC3(CCc4ccccc4O3)CC2)o1 ZINC000597228351 1040694169 /nfs/dbraw/zinc/69/41/69/1040694169.db2.gz LPSXXYKOAWNNFX-UHFFFAOYSA-N 0 1 308.381 3.511 20 30 DHEDMN N#Cc1ccccc1-c1ccc(CN2CCOC[C@@H]2C2CC2)cc1 ZINC000534128924 1040724559 /nfs/dbraw/zinc/72/45/59/1040724559.db2.gz UOHMBFWSYXCHHN-OAQYLSRUSA-N 0 1 318.420 3.836 20 30 DHEDMN C=CCC(C)(C)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000456327014 1040780350 /nfs/dbraw/zinc/78/03/50/1040780350.db2.gz HCMRFJYYVRREKN-KRWDZBQOSA-N 0 1 314.473 3.569 20 30 DHEDMN N#Cc1c(F)cccc1CNCC1(C(F)(F)F)CCCC1 ZINC000602017973 1040864708 /nfs/dbraw/zinc/86/47/08/1040864708.db2.gz VHJIAFSEZRCCEA-UHFFFAOYSA-N 0 1 300.299 3.910 20 30 DHEDMN CC[C@](C)(C#N)C(=O)N(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000597721777 1040879998 /nfs/dbraw/zinc/87/99/98/1040879998.db2.gz BIFZDJJQSIEHCN-QLJPJBMISA-N 0 1 318.808 3.676 20 30 DHEDMN COc1ccc(F)c(CNC2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594520910 1040888666 /nfs/dbraw/zinc/88/86/66/1040888666.db2.gz RJQBPKZSLDXIIM-UHFFFAOYSA-N 0 1 310.372 3.875 20 30 DHEDMN Cc1ncc([C@H](C)N(Cc2ccc(C#N)cc2)C2CC2)c(C)n1 ZINC000602440164 1041033459 /nfs/dbraw/zinc/03/34/59/1041033459.db2.gz JWZBFSJXKSHHJN-AWEZNQCLSA-N 0 1 306.413 3.691 20 30 DHEDMN C[C@@H](C#N)N(C(=O)c1cc(Cl)c2ccccc2c1O)C1CC1 ZINC000598134346 1041079235 /nfs/dbraw/zinc/07/92/35/1041079235.db2.gz WAAFKBNMGNFLFV-JTQLQIEISA-N 0 1 314.772 3.715 20 30 DHEDMN C[C@@H](CC1(C#N)CCOCC1)NCc1c(F)cccc1Cl ZINC000602524624 1041088059 /nfs/dbraw/zinc/08/80/59/1041088059.db2.gz NLQRYRSHVVKHHH-LBPRGKRZSA-N 0 1 310.800 3.668 20 30 DHEDMN C[C@@H](CCC#N)CN(C)Cc1ccc(F)cc1Br ZINC000602633560 1041137964 /nfs/dbraw/zinc/13/79/64/1041137964.db2.gz YQSVDNBYXZGJIQ-NSHDSACASA-N 0 1 313.214 3.960 20 30 DHEDMN N#Cc1ccc(CN2CCC(Cc3nccs3)CC2)s1 ZINC000602731913 1041185992 /nfs/dbraw/zinc/18/59/92/1041185992.db2.gz DKKXCXBQKNJKIZ-UHFFFAOYSA-N 0 1 303.456 3.531 20 30 DHEDMN C=CCN(Cc1cccc(C#N)c1)Cc1cccc2c1CCOC2 ZINC000602766751 1041210302 /nfs/dbraw/zinc/21/03/02/1041210302.db2.gz BELSYUTVECWGNK-UHFFFAOYSA-N 0 1 318.420 3.819 20 30 DHEDMN COCCN(Cc1ccc(C#N)cc1)Cc1c(C)cc(C)nc1C ZINC000602766931 1041213421 /nfs/dbraw/zinc/21/34/21/1041213421.db2.gz UDVMJKMQZAVYKF-UHFFFAOYSA-N 0 1 323.440 3.527 20 30 DHEDMN C[C@H](CC#N)NCCC(=O)Nc1ccccc1-c1ccccc1 ZINC000602868651 1041275280 /nfs/dbraw/zinc/27/52/80/1041275280.db2.gz JXXUPOHONCGLKR-OAHLLOKOSA-N 0 1 307.397 3.574 20 30 DHEDMN CC1(C)CN(CCC(=O)Nc2ccccc2C#N)[C@@H]1c1ccco1 ZINC000602927066 1041305841 /nfs/dbraw/zinc/30/58/41/1041305841.db2.gz RIXRLSNOIUIUCM-GOSISDBHSA-N 0 1 323.396 3.563 20 30 DHEDMN N#CCC1(CN(Cc2ccccc2)[C@H](CO)c2ccccc2)CC1 ZINC000602918210 1041317185 /nfs/dbraw/zinc/31/71/85/1041317185.db2.gz MUUTUKVBYZGIHB-HXUWFJFHSA-N 0 1 320.436 3.916 20 30 DHEDMN CC(C)(C#N)C[C@H](O)CN1Cc2ccccc2-c2ccccc2C1 ZINC000598591027 1041350895 /nfs/dbraw/zinc/35/08/95/1041350895.db2.gz WKMUOIZEFHDIMK-SFHVURJKSA-N 0 1 320.436 3.970 20 30 DHEDMN CC[C@@H](c1ccc(F)cc1)N1CCN(c2ccccc2C#N)CC1 ZINC000078847258 185120477 /nfs/dbraw/zinc/12/04/77/185120477.db2.gz FSTOQCGPDCHUTI-IBGZPJMESA-N 0 1 323.415 3.971 20 30 DHEDMN C#CCOc1ccc([C@@H](C)NCc2cc(C)cc(Cl)n2)cc1 ZINC000282855199 335000943 /nfs/dbraw/zinc/00/09/43/335000943.db2.gz UGXATAXKBCQEKH-CQSZACIVSA-N 0 1 314.816 3.906 20 30 DHEDMN C=CCC[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1ccco1 ZINC000285901859 335027662 /nfs/dbraw/zinc/02/76/62/335027662.db2.gz CUMCDIPKJHKJMI-AWEZNQCLSA-N 0 1 316.357 3.994 20 30 DHEDMN Cc1ccc2nc([C@@H]3CCCN(c4cccc(C#N)n4)C3)[nH]c2c1 ZINC000273295991 130103792 /nfs/dbraw/zinc/10/37/92/130103792.db2.gz LFZOEOMWUCLISV-CQSZACIVSA-N 0 1 317.396 3.522 20 30 DHEDMN CCc1ccccc1NC(=O)[C@@H](C)N1CCC(CCC#N)CC1 ZINC000580069059 332927193 /nfs/dbraw/zinc/92/71/93/332927193.db2.gz IKWNSXYPJFIUCR-OAHLLOKOSA-N 0 1 313.445 3.592 20 30 DHEDMN C=CCC[C@H](NCC(=O)N(C)C1CCCCC1)c1ccco1 ZINC000556872616 331745917 /nfs/dbraw/zinc/74/59/17/331745917.db2.gz QPASVUZLLCCRPF-INIZCTEOSA-N 0 1 304.434 3.668 20 30 DHEDMN C#CCOc1ccccc1CN[C@H](C)c1ccc(OC)c(F)c1 ZINC000102559211 332928803 /nfs/dbraw/zinc/92/88/03/332928803.db2.gz HACHQMZFDPRVFX-CQSZACIVSA-N 0 1 313.372 3.697 20 30 DHEDMN CCCCN(CCCC)C(=O)CN[C@H](C)c1ccc(C#N)cc1 ZINC000558741015 331940453 /nfs/dbraw/zinc/94/04/53/331940453.db2.gz GVVLCWAELUWCHU-MRXNPFEDSA-N 0 1 315.461 3.638 20 30 DHEDMN COc1ccc([C@H](C)NCc2cc(C#N)ccc2F)cc1OC ZINC000128545939 332012791 /nfs/dbraw/zinc/01/27/91/332012791.db2.gz BJEYFKNXYDOOFJ-LBPRGKRZSA-N 0 1 314.360 3.565 20 30 DHEDMN O=C(C[C@H]1CCCCO1)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000087368144 332030648 /nfs/dbraw/zinc/03/06/48/332030648.db2.gz WDKJNPKXEYGHQE-SNVBAGLBSA-N 0 1 320.780 3.672 20 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DHEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccnn2C(F)F)s1 ZINC000580217857 333018011 /nfs/dbraw/zinc/01/80/11/333018011.db2.gz GGGXJPMTLKYRCU-MRVPVSSYSA-N 0 1 324.356 3.522 20 30 DHEDMN C[C@@H](NCC(=O)Nc1cccc(C#N)c1)c1cc2ccccc2o1 ZINC000181756870 333032289 /nfs/dbraw/zinc/03/22/89/333032289.db2.gz XACPUGIOUWUUPA-CYBMUJFWSA-N 0 1 319.364 3.594 20 30 DHEDMN O=C(CC(F)(F)F)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000182759351 333180153 /nfs/dbraw/zinc/18/01/53/333180153.db2.gz WNIKPUBFKFFKOD-SECBINFHSA-N 0 1 321.167 3.637 20 30 DHEDMN COc1cccc([C@H](N[C@H]2CCC[C@H](C#N)C2)c2cccnc2)c1 ZINC000364044986 333226640 /nfs/dbraw/zinc/22/66/40/333226640.db2.gz YEBGWEGLNFEDIF-QSFXBCCZSA-N 0 1 321.424 3.852 20 30 DHEDMN N#C[C@@H](Sc1nc(-c2ccccc2O)n[nH]1)C1CCCCC1 ZINC000194587455 333314481 /nfs/dbraw/zinc/31/44/81/333314481.db2.gz DBNBQOCWOPVWKV-CQSZACIVSA-N 0 1 314.414 3.742 20 30 DHEDMN C=CC1CCN([C@H](C)C(=O)Nc2cccc(SC)c2)CC1 ZINC000111257091 333328358 /nfs/dbraw/zinc/32/83/58/333328358.db2.gz 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N#CC(C(=O)c1ncccc1Oc1ccccc1)c1ccccn1 ZINC000442081499 1014626292 /nfs/dbraw/zinc/62/62/92/1014626292.db2.gz CLBKMFJLLLDKLV-OAHLLOKOSA-N 0 1 315.332 3.759 20 30 DHEDMN N#C[C@@H](C(=O)c1ncccc1Oc1ccccc1)c1ccccn1 ZINC000442081499 1014626296 /nfs/dbraw/zinc/62/62/96/1014626296.db2.gz CLBKMFJLLLDKLV-OAHLLOKOSA-N 0 1 315.332 3.759 20 30 DHEDMN N#C[C@H](C(=O)c1csc(-c2ccc(F)cc2)n1)c1ccccn1 ZINC000126493769 1014737736 /nfs/dbraw/zinc/73/77/36/1014737736.db2.gz YDLMJUALVJODKN-ZDUSSCGKSA-N 0 1 323.352 3.834 20 30 DHEDMN N#CC(C(=O)c1csc(-c2ccc(F)cc2)n1)c1ccccn1 ZINC000126493769 1014737745 /nfs/dbraw/zinc/73/77/45/1014737745.db2.gz YDLMJUALVJODKN-ZDUSSCGKSA-N 0 1 323.352 3.834 20 30 DHEDMN COc1cccc([C@@H]2CCCN2Cc2ccc(C#N)c(OC)c2)c1 ZINC000442808636 1014742196 /nfs/dbraw/zinc/74/21/96/1014742196.db2.gz IBYQONHZPQGWQY-IBGZPJMESA-N 0 1 322.408 3.913 20 30 DHEDMN C=C[C@@H](CC)CC(=O)Nc1nc(-c2cccc(Cl)c2)n[nH]1 ZINC001125494298 1014765041 /nfs/dbraw/zinc/76/50/41/1014765041.db2.gz KUCBDIJKRKGMPW-JTQLQIEISA-N 0 1 304.781 3.666 20 30 DHEDMN C#C[C@H]1CCCN(Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000895206241 1014941265 /nfs/dbraw/zinc/94/12/65/1014941265.db2.gz WQLODAMJTJPZLN-ZDUSSCGKSA-N 0 1 320.458 3.940 20 30 DHEDMN C#CC[N@H+](C[C@@H]1CCCC[C@H]1C(=O)[O-])[C@H]1CCc2ccccc21 ZINC001588467930 983499489 /nfs/dbraw/zinc/49/94/89/983499489.db2.gz IJAQAZFNJMZODH-UHOSZYNNSA-N 0 1 311.425 3.500 20 30 DHEDMN C#CC[N@H+](Cc1cc(C(=O)[O-])oc1CC)[C@H]1CCc2ccccc21 ZINC001588469325 983501450 /nfs/dbraw/zinc/50/14/50/983501450.db2.gz FDKFLKRVSXPWKQ-KRWDZBQOSA-N 0 1 323.392 3.663 20 30 DHEDMN C=CC[N@H+](CCc1ccccc1)Cc1cc(C(=O)[O-])cs1 ZINC001588828680 984308331 /nfs/dbraw/zinc/30/83/31/984308331.db2.gz IMSJPSQYGKYGOR-UHFFFAOYSA-N 0 1 301.411 3.677 20 30 DHEDMN CCC[C@@H](C)N(C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000341222951 1015028231 /nfs/dbraw/zinc/02/82/31/1015028231.db2.gz FQSCHSGRUQMBKL-CQSZACIVSA-N 0 1 321.852 3.707 20 30 DHEDMN C=CCCN(C)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000276383070 1015038348 /nfs/dbraw/zinc/03/83/48/1015038348.db2.gz IJRZOVHKCWURDF-UHFFFAOYSA-N 0 1 320.742 3.805 20 30 DHEDMN C[C@@H]1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)C[C@@H](C)C1 ZINC000443642159 1015061148 /nfs/dbraw/zinc/06/11/48/1015061148.db2.gz NGVPQPCNFVANNW-OLZOCXBDSA-N 0 1 319.836 3.518 20 30 DHEDMN Cc1cccc([C@H](C)N2CCN([C@@H](C#N)c3ccccc3)CC2)c1 ZINC000487438963 1015199360 /nfs/dbraw/zinc/19/93/60/1015199360.db2.gz JHAMYQQRMVYAAH-RXVVDRJESA-N 0 1 319.452 3.939 20 30 DHEDMN CC(C)(C)N(CC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1 ZINC000474270833 1015233155 /nfs/dbraw/zinc/23/31/55/1015233155.db2.gz DHXCKUUMRXGMFN-UHFFFAOYSA-N 0 1 321.424 3.797 20 30 DHEDMN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1ccccc1Cl ZINC000097057133 1015365217 /nfs/dbraw/zinc/36/52/17/1015365217.db2.gz IYFIXLVRURZCRN-KGLIPLIRSA-N 0 1 308.853 3.804 20 30 DHEDMN CC(C)(C)C[N@H+](CCC#N)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC001589780216 988149419 /nfs/dbraw/zinc/14/94/19/988149419.db2.gz SYYFAFUBYSMVHR-UHFFFAOYSA-N 0 1 308.809 3.800 20 30 DHEDMN CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC001589780216 988149424 /nfs/dbraw/zinc/14/94/24/988149424.db2.gz SYYFAFUBYSMVHR-UHFFFAOYSA-N 0 1 308.809 3.800 20 30 DHEDMN C=C1CCC(C(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)CC1 ZINC000896064470 1015435816 /nfs/dbraw/zinc/43/58/16/1015435816.db2.gz HVHIVUJXCYMOHI-QGZVFWFLSA-N 0 1 316.445 3.588 20 30 DHEDMN CCN(Cc1cnn(C)c1C1CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000891655247 1015492719 /nfs/dbraw/zinc/49/27/19/1015492719.db2.gz GCOWQQOENMQZMI-AWEZNQCLSA-N 0 1 308.429 3.752 20 30 DHEDMN CC(C)(C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCc3[nH]nnc3C2)CC1 ZINC000329036937 1015632529 /nfs/dbraw/zinc/63/25/29/1015632529.db2.gz NDDJHVGLAOCMRF-MCIONIFRSA-N 0 1 318.465 3.861 20 30 DHEDMN CC(C)(C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)CC1 ZINC000329036937 1015632532 /nfs/dbraw/zinc/63/25/32/1015632532.db2.gz NDDJHVGLAOCMRF-MCIONIFRSA-N 0 1 318.465 3.861 20 30 DHEDMN CCc1nc([C@H](C)NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)n[nH]1 ZINC000329192525 1015657230 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COc1ccc2cc(CN(C)Cc3ccnc(C#N)c3)ccc2c1 ZINC000610991373 1015992424 /nfs/dbraw/zinc/99/24/24/1015992424.db2.gz LVFMPHYVBOFFFW-UHFFFAOYSA-N 0 1 317.392 3.747 20 30 DHEDMN N#CCC1CCC([N@H+]2CCc3c([nH]nc3C(F)(F)F)C2)CC1 ZINC001173336944 1033690533 /nfs/dbraw/zinc/69/05/33/1033690533.db2.gz RVYZAOYNHWFOKZ-MGULZYLOSA-N 0 1 312.339 3.815 20 30 DHEDMN N#CCC1CCC(N2CCc3c([nH]nc3C(F)(F)F)C2)CC1 ZINC001173336944 1033690547 /nfs/dbraw/zinc/69/05/47/1033690547.db2.gz RVYZAOYNHWFOKZ-MGULZYLOSA-N 0 1 312.339 3.815 20 30 DHEDMN C[C@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC001594270571 999045680 /nfs/dbraw/zinc/04/56/80/999045680.db2.gz WOWLUKTXCVWLCC-LIRRHRJNSA-N 0 1 320.392 3.840 20 30 DHEDMN CC1(C)CN(Cc2nnc(-c3cccc(C#N)c3)o2)CC(C)(C)C1 ZINC000342379117 1016323011 /nfs/dbraw/zinc/32/30/11/1016323011.db2.gz RCSMLOPSGLUGRG-UHFFFAOYSA-N 0 1 324.428 3.866 20 30 DHEDMN N#Cc1ccccc1CN1CCC[C@@]2(C1)OCc1ccccc12 ZINC000346577999 1016463464 /nfs/dbraw/zinc/46/34/64/1016463464.db2.gz 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/nfs/dbraw/zinc/96/71/84/1016967184.db2.gz HKXVKEWGJOVQSK-HDJSIYSDSA-N 0 1 316.836 3.543 20 30 DHEDMN COc1ccc(C(=O)/C=C\c2ccc(O[C@@H](C)C#N)cc2)c(O)c1 ZINC000255517963 1016976865 /nfs/dbraw/zinc/97/68/65/1016976865.db2.gz BAKROZKXLQFSIJ-PRFOUVDFSA-N 0 1 323.348 3.588 20 30 DHEDMN CCCc1occc1C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000342690905 1017017147 /nfs/dbraw/zinc/01/71/47/1017017147.db2.gz ZQYALFHEYWBESU-ZDUSSCGKSA-N 0 1 307.353 3.907 20 30 DHEDMN N#CCc1ccc(CN(Cc2ccco2)C[C@H]2CCCO2)cc1 ZINC000342692737 1017020934 /nfs/dbraw/zinc/02/09/34/1017020934.db2.gz LHAAURXASDLMNF-LJQANCHMSA-N 0 1 310.397 3.527 20 30 DHEDMN C=C(C)CN(CC)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000046456771 1032158437 /nfs/dbraw/zinc/15/84/37/1032158437.db2.gz DLKOWKAWECBLKS-UHFFFAOYSA-N 0 1 303.793 3.768 20 30 DHEDMN C#C[C@H]1CCCN([C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000847027572 1032185465 /nfs/dbraw/zinc/18/54/65/1032185465.db2.gz UTUNSDUBMSIAAI-HOTGVXAUSA-N 0 1 309.413 3.760 20 30 DHEDMN Cc1cncc(NC2(C#N)CCN(Cc3ccccc3)CC2)c1C ZINC001171277209 1032218352 /nfs/dbraw/zinc/21/83/52/1032218352.db2.gz NIKXZGZPMCTJFU-UHFFFAOYSA-N 0 1 320.440 3.669 20 30 DHEDMN Cc1c(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)ccn1C ZINC000684948374 1017074137 /nfs/dbraw/zinc/07/41/37/1017074137.db2.gz BSISVSMHKVQTIK-GFCCVEGCSA-N 0 1 313.357 3.572 20 30 DHEDMN Cc1c(C(=O)C(C#N)c2nc3cc(F)ccc3s2)ccn1C ZINC000684948374 1017074148 /nfs/dbraw/zinc/07/41/48/1017074148.db2.gz BSISVSMHKVQTIK-GFCCVEGCSA-N 0 1 313.357 3.572 20 30 DHEDMN N#Cc1c(F)cccc1CN1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000794411355 1032288105 /nfs/dbraw/zinc/28/81/05/1032288105.db2.gz DEPAKCKVJUXNQD-UXHICEINSA-N 0 1 324.399 3.785 20 30 DHEDMN C=C(C)CN(CC)[C@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000119871523 1032328152 /nfs/dbraw/zinc/32/81/52/1032328152.db2.gz UZMPKKBRUFGURF-GFCCVEGCSA-N 0 1 312.360 3.513 20 30 DHEDMN C#CCOc1ccccc1CN[C@H](C)c1ccccc1OCC ZINC000772986242 1032366824 /nfs/dbraw/zinc/36/68/24/1032366824.db2.gz CAJRZMWDLYDIOO-MRXNPFEDSA-N 0 1 309.409 3.948 20 30 DHEDMN N#CCC1CCN(Cc2ccc(C(F)(F)F)c(F)c2)CC1 ZINC001204886346 1032367569 /nfs/dbraw/zinc/36/75/69/1032367569.db2.gz FZXHRLCXOSZUFV-UHFFFAOYSA-N 0 1 300.299 3.970 20 30 DHEDMN COc1ccc(Cl)c2c1C[C@@H](N1CCC(C)(C#N)CC1)CC2 ZINC001171326225 1032377771 /nfs/dbraw/zinc/37/77/71/1032377771.db2.gz LKDAUBHFSGVCOM-ZDUSSCGKSA-N 0 1 318.848 3.832 20 30 DHEDMN C=CCOc1ccc(C(=O)Nc2nc3cccc(C)c3[nH]2)cc1 ZINC001148458001 1032400868 /nfs/dbraw/zinc/40/08/68/1032400868.db2.gz KZYJUCNDANBQBR-UHFFFAOYSA-N 0 1 307.353 3.688 20 30 DHEDMN N#CCC[C@@H](NC(=O)c1ccc(O)c(Cl)c1)c1ccccc1 ZINC000121002411 1032411987 /nfs/dbraw/zinc/41/19/87/1032411987.db2.gz XIABHJZIFZTDTC-OAHLLOKOSA-N 0 1 314.772 3.820 20 30 DHEDMN C=CCOc1ccccc1[C@H](C)Nc1nc(C)cc(N(C)C)n1 ZINC001171372465 1032529830 /nfs/dbraw/zinc/52/98/30/1032529830.db2.gz ISGDXCWKKSROKP-AWEZNQCLSA-N 0 1 312.417 3.589 20 30 DHEDMN CC(C)c1nccnc1N=NCc1cc(F)cc2cccnc21 ZINC000773076566 1032548163 /nfs/dbraw/zinc/54/81/63/1032548163.db2.gz AEEBOVMFWDNAJC-UHFFFAOYSA-N 0 1 309.348 3.733 20 30 DHEDMN C=CCn1cc(CN[C@@H](c2ccccc2C)C2CCCC2)nn1 ZINC000424298119 1011964752 /nfs/dbraw/zinc/96/47/52/1011964752.db2.gz SAEFSCPMQWKUCB-LJQANCHMSA-N 0 1 310.445 3.794 20 30 DHEDMN Brc1ccc(CNCC#Cc2ccccc2)cc1 ZINC000051814073 1017106037 /nfs/dbraw/zinc/10/60/37/1017106037.db2.gz XJWJBYCAAFLXHU-UHFFFAOYSA-N 0 1 300.199 3.590 20 30 DHEDMN C=C(C)C(C)(C)C(=O)Nc1nc2c(s1)CN(C(C)(C)C)CC2 ZINC000425041564 1012197217 /nfs/dbraw/zinc/19/72/17/1012197217.db2.gz OVTOLSVFFMTHJN-UHFFFAOYSA-N 0 1 321.490 3.841 20 30 DHEDMN N#Cc1ccc2nc(-c3cnn(-c4ccc(Cl)cc4)c3)[nH]c2c1 ZINC000513856146 1012211614 /nfs/dbraw/zinc/21/16/14/1012211614.db2.gz QOKAZYWMTQJPTD-UHFFFAOYSA-N 0 1 319.755 3.941 20 30 DHEDMN C=C(CC)CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000773187309 1032612430 /nfs/dbraw/zinc/61/24/30/1032612430.db2.gz ZDZAUYHWTUDZGK-UHFFFAOYSA-N 0 1 303.362 3.512 20 30 DHEDMN N#CC(C(=O)c1ccc(C(F)F)nc1)c1nc(C2CC2)cs1 ZINC000654999497 1012265613 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ZINC000515738083 1012707610 /nfs/dbraw/zinc/70/76/10/1012707610.db2.gz NGIPVIWOMKYEOM-QGZVFWFLSA-N 0 1 317.396 3.788 20 30 DHEDMN C[C@H]1CCCN(CCCC(C)(C)C#N)[C@@H]1C(=O)OC(C)(C)C ZINC000425521618 1012725774 /nfs/dbraw/zinc/72/57/74/1012725774.db2.gz KKDFFNAPYSUNMO-GJZGRUSLSA-N 0 1 308.466 3.759 20 30 DHEDMN C#CCC(C)(C)C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000185764925 1017150476 /nfs/dbraw/zinc/15/04/76/1017150476.db2.gz MLIDHNMNMGQRKR-UHFFFAOYSA-N 0 1 318.380 3.613 20 30 DHEDMN O=C(/C=C\c1c(C2CC2)nc2sccn12)c1ccccc1O ZINC000255520066 1017151866 /nfs/dbraw/zinc/15/18/66/1017151866.db2.gz YYHQKAAXNHRBBC-FPLPWBNLSA-N 0 1 310.378 3.875 20 30 DHEDMN N#Cc1cccc(C2(C(=O)Nc3cccc(Cl)c3O)CC2)c1 ZINC000340321486 1017179439 /nfs/dbraw/zinc/17/94/39/1017179439.db2.gz NYPAXIXRNZHZEV-UHFFFAOYSA-N 0 1 312.756 3.588 20 30 DHEDMN C=CCN1CC[C@H](N(CCCC)[C@H](C)c2ccc(C)o2)C1=O ZINC000685000656 1017220997 /nfs/dbraw/zinc/22/09/97/1017220997.db2.gz XIDYFTCZXCERFA-CVEARBPZSA-N 0 1 304.434 3.538 20 30 DHEDMN Cc1csc([C@@H](C#N)C(=O)c2cnc3ccc(F)cc3c2)n1 ZINC000179584559 1017269619 /nfs/dbraw/zinc/26/96/19/1017269619.db2.gz SXQOHEHLZHBAKC-ZDUSSCGKSA-N 0 1 311.341 3.629 20 30 DHEDMN Cc1csc(C(C#N)C(=O)c2cnc3ccc(F)cc3c2)n1 ZINC000179584559 1017269624 /nfs/dbraw/zinc/26/96/24/1017269624.db2.gz SXQOHEHLZHBAKC-ZDUSSCGKSA-N 0 1 311.341 3.629 20 30 DHEDMN C=CCOc1ccccc1C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000180333541 1017420962 /nfs/dbraw/zinc/42/09/62/1017420962.db2.gz FCMWYALYIWFZOQ-UHFFFAOYSA-N 0 1 307.353 3.688 20 30 DHEDMN C=CCOc1ccc(CNCc2cccnc2N2CCCC2)cc1 ZINC000657571039 1017440366 /nfs/dbraw/zinc/44/03/66/1017440366.db2.gz OKANOZDWXMIESX-UHFFFAOYSA-N 0 1 323.440 3.536 20 30 DHEDMN N#Cc1ccc(CN(Cc2cccs2)[C@H]2C=C[C@H](CO)C2)cc1 ZINC000347339816 1017543059 /nfs/dbraw/zinc/54/30/59/1017543059.db2.gz NCBXJFVLAZDNCK-ROUUACIJSA-N 0 1 324.449 3.559 20 30 DHEDMN C=CCCCN(C)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000135663142 1017552624 /nfs/dbraw/zinc/55/26/24/1017552624.db2.gz OKCPMFRVITYIND-UHFFFAOYSA-N 0 1 303.793 3.768 20 30 DHEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1cc(C#N)c2ccccc2n1 ZINC000444872639 1017708307 /nfs/dbraw/zinc/70/83/07/1017708307.db2.gz OCXRFKQIAXAAJY-UHFFFAOYSA-N 0 1 319.412 3.763 20 30 DHEDMN Cc1[nH]nc2cc(NC(=O)c3ccc(C4(C#N)CC4)cc3)ccc12 ZINC000181026802 1017719508 /nfs/dbraw/zinc/71/95/08/1017719508.db2.gz HFPGCCMNVQGTST-UHFFFAOYSA-N 0 1 316.364 3.679 20 30 DHEDMN C=CC[C@H]1CCN(Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000625700096 1017779608 /nfs/dbraw/zinc/77/96/08/1017779608.db2.gz IZYIPSJIXUYLOI-LBPRGKRZSA-N 0 1 303.793 3.788 20 30 DHEDMN N#Cc1ccccc1OCCN1CCSC[C@H]1c1ccccc1 ZINC000523791959 1017794830 /nfs/dbraw/zinc/79/48/30/1017794830.db2.gz ZCDVEOXBTGXOMO-SFHVURJKSA-N 0 1 324.449 3.727 20 30 DHEDMN N#Cc1ccccc1CNc1cc(/C=N/O)cc(C(F)(F)F)c1 ZINC001167634015 1017795344 /nfs/dbraw/zinc/79/53/44/1017795344.db2.gz RFLHTAMFYIDSNM-LSFURLLWSA-N 0 1 319.286 3.997 20 30 DHEDMN C=CCC1(NCc2csc(N(C(C)=O)C3CC3)n2)CCCC1 ZINC000657702498 1017855331 /nfs/dbraw/zinc/85/53/31/1017855331.db2.gz KWLMBYJZSZHTDR-UHFFFAOYSA-N 0 1 319.474 3.637 20 30 DHEDMN C=CCOc1cccc(CNCc2c(C3CCC3)cnn2C)c1 ZINC000657719254 1017965451 /nfs/dbraw/zinc/96/54/51/1017965451.db2.gz XUWCIUQBAWPPCM-UHFFFAOYSA-N 0 1 311.429 3.542 20 30 DHEDMN COc1ccc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1C#N ZINC000446135680 1018064213 /nfs/dbraw/zinc/06/42/13/1018064213.db2.gz CLOUZGNLSMZHEC-UHFFFAOYSA-N 0 1 318.258 3.524 20 30 DHEDMN CC[C@@H]1CN(C)c2ccccc2C[N@H+]1Cc1cccc(C#N)c1F ZINC001167653465 1018069652 /nfs/dbraw/zinc/06/96/52/1018069652.db2.gz MNXZAAQIJMISFX-GOSISDBHSA-N 0 1 323.415 3.928 20 30 DHEDMN CC[C@@H]1CN(C)c2ccccc2CN1Cc1cccc(C#N)c1F ZINC001167653465 1018069666 /nfs/dbraw/zinc/06/96/66/1018069666.db2.gz MNXZAAQIJMISFX-GOSISDBHSA-N 0 1 323.415 3.928 20 30 DHEDMN C[C@H](NCc1ccc(C#N)cc1F)c1cccc(-n2cccn2)c1 ZINC000178792740 1018081595 /nfs/dbraw/zinc/08/15/95/1018081595.db2.gz RWNUPTQUWIODJA-AWEZNQCLSA-N 0 1 320.371 3.734 20 30 DHEDMN COc1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)c(OC)c1 ZINC000027588878 1018092928 /nfs/dbraw/zinc/09/29/28/1018092928.db2.gz VNRNRWHQTOJYLB-UHFFFAOYSA-N 0 1 322.408 3.740 20 30 DHEDMN N#Cc1ccc(CNCc2c[nH]nc2-c2ccccc2F)c(F)c1 ZINC000176495676 1018166782 /nfs/dbraw/zinc/16/67/82/1018166782.db2.gz SAGYBOJKRAFMNH-UHFFFAOYSA-N 0 1 324.334 3.516 20 30 DHEDMN CCC1(CC)CCN(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000446712228 1018210021 /nfs/dbraw/zinc/21/00/21/1018210021.db2.gz QJCLNOLSGRFQJD-UHFFFAOYSA-N 0 1 310.401 3.620 20 30 DHEDMN Cc1ccc(-c2ncc(CN=Nc3cc(C)ncn3)s2)cc1 ZINC000734299864 1018296668 /nfs/dbraw/zinc/29/66/68/1018296668.db2.gz XSOVBPGENMEHGE-UHFFFAOYSA-N 0 1 309.398 3.663 20 30 DHEDMN COc1ccc2c(c1)C(N=Nc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000741835949 1018338527 /nfs/dbraw/zinc/33/85/27/1018338527.db2.gz AOALQZMSKMUOAY-UHFFFAOYSA-N 0 1 311.341 3.756 20 30 DHEDMN CC1(C)CCC(C=Nn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000764668677 1018345926 /nfs/dbraw/zinc/34/59/26/1018345926.db2.gz AJUOUXRPELORSW-UHFFFAOYSA-N 0 1 315.442 3.736 20 30 DHEDMN C=CCc1cc(CN2CCC[C@@H]2c2ccc[nH]2)cc(OC)c1O ZINC000127369621 1032766839 /nfs/dbraw/zinc/76/68/39/1032766839.db2.gz DVPWANCIJULDJY-QGZVFWFLSA-N 0 1 312.413 3.795 20 30 DHEDMN C=CCCC[C@@H](C)NC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000343257309 1018511479 /nfs/dbraw/zinc/51/14/79/1018511479.db2.gz FDIVZCBPVRONOD-AEFFLSMTSA-N 0 1 300.446 3.512 20 30 DHEDMN CN(CCCCC#N)CC(=O)Nc1c(Cl)cccc1Cl ZINC000198681090 1018523200 /nfs/dbraw/zinc/52/32/00/1018523200.db2.gz GLOLMHJWUYSUTQ-UHFFFAOYSA-N 0 1 314.216 3.558 20 30 DHEDMN CCCCCCCNC(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000858113332 1032771237 /nfs/dbraw/zinc/77/12/37/1032771237.db2.gz QXHMREZOISAQCA-UHFFFAOYSA-N 0 1 306.454 3.578 20 30 DHEDMN CC(C)(C)n1cc(/C=C\C(=O)c2ccc3ccccc3c2O)nn1 ZINC000588579745 1018581374 /nfs/dbraw/zinc/58/13/74/1018581374.db2.gz ZCHDWHKYJFUYCR-LUAWRHEFSA-N 0 1 321.380 3.788 20 30 DHEDMN CN(CC#Cc1ccc(C(F)(F)F)cc1)CCOC(C)(C)C ZINC000676041332 1018653548 /nfs/dbraw/zinc/65/35/48/1018653548.db2.gz GFEJDSFMHYLVEY-UHFFFAOYSA-N 0 1 313.363 3.804 20 30 DHEDMN COCCOc1ccc(CN[C@H](CCC#N)c2ccccc2)cc1 ZINC000130387384 1018677453 /nfs/dbraw/zinc/67/74/53/1018677453.db2.gz PCPNFYGNZMUQIY-HXUWFJFHSA-N 0 1 324.424 3.846 20 30 DHEDMN CCCCc1nc(Cl)c(C=NNc2ccccc2[N+](=O)[O-])[nH]1 ZINC000755465668 1018737532 /nfs/dbraw/zinc/73/75/32/1018737532.db2.gz NPIKFMVQPDROMH-UHFFFAOYSA-N 0 1 321.768 3.760 20 30 DHEDMN CCOc1ccc(O)c(C=NCc2nc3cccc(C)c3[nH]2)c1 ZINC000765501325 1018829951 /nfs/dbraw/zinc/82/99/51/1018829951.db2.gz WVEIDMCRGMRGAG-GRSHGNNSSA-N 0 1 309.369 3.595 20 30 DHEDMN CC(C)(CCC#N)C[NH2+]Cc1c([O-])cccc1Br ZINC000858163485 1032789807 /nfs/dbraw/zinc/78/98/07/1032789807.db2.gz DQSZMTWLRWWWPS-UHFFFAOYSA-N 0 1 311.223 3.574 20 30 DHEDMN C=CCC1(C(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)CCCC1 ZINC000450174572 1018883803 /nfs/dbraw/zinc/88/38/03/1018883803.db2.gz DDHVCCYAOZIQNK-UHFFFAOYSA-N 0 1 313.401 4.362 20 30 DHEDMN Cc1ccc([C@H](C)NCc2csc(C#N)c2)cc1[N+](=O)[O-] ZINC000921818554 1018903542 /nfs/dbraw/zinc/90/35/42/1018903542.db2.gz PXEGFMPKIAYIKG-NSHDSACASA-N 0 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/nfs/dbraw/zinc/08/73/02/1020087302.db2.gz AMSNUFORXIFUHO-UHFFFAOYSA-N 0 1 308.425 3.815 20 30 DHEDMN Cc1[nH]ncc1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000188126377 1020089983 /nfs/dbraw/zinc/08/99/83/1020089983.db2.gz YVJFVXUBYWHBNC-UHFFFAOYSA-N 0 1 318.336 3.634 20 30 DHEDMN CCOc1cc(CN=Nc2ccc(F)cn2)cc(Cl)c1OC ZINC000731319751 1020091221 /nfs/dbraw/zinc/09/12/21/1020091221.db2.gz UBYBGNDBHHUEDD-UHFFFAOYSA-N 0 1 323.755 3.727 20 30 DHEDMN CN(CCc1ccccc1F)Cc1cn2ccccc2c1C#N ZINC000731670965 1020135000 /nfs/dbraw/zinc/13/50/00/1020135000.db2.gz JYSWGZOUYXOPJB-UHFFFAOYSA-N 0 1 307.372 3.625 20 30 DHEDMN CCc1ccc(C(C)=NNc2ccccc2S(C)(=O)=O)s1 ZINC000731933366 1020178690 /nfs/dbraw/zinc/17/86/90/1020178690.db2.gz KZCWZOZYXDCORZ-UHFFFAOYSA-N 0 1 322.455 3.550 20 30 DHEDMN COc1ccc(OC)c([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)c1 ZINC000124787234 1020223483 /nfs/dbraw/zinc/22/34/83/1020223483.db2.gz YUNIWIVIWQSOFM-UONOGXRCSA-N 0 1 310.397 3.987 20 30 DHEDMN CC(C)(C)[C@@H]1CCCN1CC(=O)Nc1cc(Cl)ccc1C#N 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CCOc1cccc(C(=O)/C=C\c2cc(F)c(O)c(F)c2)c1 ZINC000749890994 1020389068 /nfs/dbraw/zinc/38/90/68/1020389068.db2.gz FVXLYXMHQXXGSV-SREVYHEPSA-N 0 1 304.292 3.965 20 30 DHEDMN C=CCOc1cccc(CN=Nc2cnnc3ccccc23)c1 ZINC000733748365 1020437410 /nfs/dbraw/zinc/43/74/10/1020437410.db2.gz SWNPFDJOQUTRFB-UHFFFAOYSA-N 0 1 304.353 3.641 20 30 DHEDMN CCC(N=Nc1cnnc2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000733748292 1020437639 /nfs/dbraw/zinc/43/76/39/1020437639.db2.gz PPPNYIYLOCMCAO-UHFFFAOYSA-N 0 1 321.340 3.764 20 30 DHEDMN CCOC1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000177263877 1020515781 /nfs/dbraw/zinc/51/57/81/1020515781.db2.gz XVHCLZICFZMYDA-UHFFFAOYSA-N 0 1 311.347 3.558 20 30 DHEDMN C=CCn1c(C)nn(CN2CCC[C@H]2C2CCCC2)c1=S ZINC000077569370 1020562274 /nfs/dbraw/zinc/56/22/74/1020562274.db2.gz JEYFDOZPYPNDIZ-HNNXBMFYSA-N 0 1 306.479 3.521 20 30 DHEDMN Cc1csc(C(C#N)C(=O)C=Cc2ccc3[nH]ccc3c2)n1 ZINC000765909431 1020574255 /nfs/dbraw/zinc/57/42/55/1020574255.db2.gz FDWXNLAPWWRKHK-KQIUPUNMSA-N 0 1 307.378 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ZINC000739189825 1020900752 /nfs/dbraw/zinc/90/07/52/1020900752.db2.gz GZWMAOFNSLKRDG-AAEUAGOBSA-N 0 1 309.394 3.913 20 30 DHEDMN CC(=NN=c1cc[nH]c(N(C)C)n1)c1ccc2ccccc2c1 ZINC000739413202 1020903924 /nfs/dbraw/zinc/90/39/24/1020903924.db2.gz JLSZQVKJCVQVDT-UHFFFAOYSA-N 0 1 305.385 3.532 20 30 DHEDMN Oc1c(Cl)cc(Cl)cc1/C=N\C[C@@H](O)c1ccsc1 ZINC000739425622 1020909375 /nfs/dbraw/zinc/90/93/75/1020909375.db2.gz GOLMYTYOYWTUMG-BUCMZXBHSA-N 0 1 316.209 3.913 20 30 DHEDMN O=C(/C=C/c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(O)c(F)c1 ZINC000739424767 1020909518 /nfs/dbraw/zinc/90/95/18/1020909518.db2.gz KUUJCIVORZWDNP-ORCRQEGFSA-N 0 1 321.691 3.989 20 30 DHEDMN C=CCCCCCN(C)CN1C[C@H](c2cccc(F)c2)CC1=O ZINC000739886158 1020919094 /nfs/dbraw/zinc/91/90/94/1020919094.db2.gz XPTBPLOBCSGDKM-QGZVFWFLSA-N 0 1 318.436 3.777 20 30 DHEDMN COc1ccc(C=NNc2ccccc2[N+](=O)[O-])cc1Cl ZINC000741450887 1021006411 /nfs/dbraw/zinc/00/64/11/1021006411.db2.gz DKTLIJLKZDUHPA-UHFFFAOYSA-N 0 1 305.721 3.703 20 30 DHEDMN Cc1nc(Cl)cc(NN=Cc2csc(C(C)(C)C)n2)n1 ZINC000741766566 1021047951 /nfs/dbraw/zinc/04/79/51/1021047951.db2.gz MWAHZAUWBXUXJU-UHFFFAOYSA-N 0 1 309.826 3.638 20 30 DHEDMN COc1ccc(CN[C@H]2CSCc3ccccc32)cc1C#N ZINC000742368622 1021107399 /nfs/dbraw/zinc/10/73/99/1021107399.db2.gz DVZRHJRFUGPNLJ-KRWDZBQOSA-N 0 1 310.422 3.645 20 30 DHEDMN CCCCCc1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)n[nH]1 ZINC000659010718 1021108278 /nfs/dbraw/zinc/10/82/78/1021108278.db2.gz XXGDBGOCSLYJMO-ZDUSSCGKSA-N 0 1 321.384 3.509 20 30 DHEDMN CCCCCc1cc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)n[nH]1 ZINC000659010718 1021108279 /nfs/dbraw/zinc/10/82/79/1021108279.db2.gz XXGDBGOCSLYJMO-ZDUSSCGKSA-N 0 1 321.384 3.509 20 30 DHEDMN N#CCCCOc1cccc(CNCc2cc(C#N)ccc2F)c1 ZINC000742381914 1021109507 /nfs/dbraw/zinc/10/95/07/1021109507.db2.gz RXVDUTJOXMKMEQ-UHFFFAOYSA-N 0 1 323.371 3.670 20 30 DHEDMN C[C@@H](NCc1ccc(OCC#N)cc1)c1ccc2ccccc2n1 ZINC000180552002 1021131694 /nfs/dbraw/zinc/13/16/94/1021131694.db2.gz OMUHBTMAKVWWKG-OAHLLOKOSA-N 0 1 317.392 3.988 20 30 DHEDMN Oc1ccccc1C=Nc1nc2ccc(Br)cc2[nH]1 ZINC000743044051 1021208373 /nfs/dbraw/zinc/20/83/73/1021208373.db2.gz DEQSRBIJAINJGC-UHFFFAOYSA-N 0 1 316.158 3.782 20 30 DHEDMN CCn1c2ccccc2nc1CN=Nc1ccc(F)cc1F ZINC000917530648 1021293706 /nfs/dbraw/zinc/29/37/06/1021293706.db2.gz SNXZQGZVPRJBIJ-UHFFFAOYSA-N 0 1 300.312 3.780 20 30 DHEDMN C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)OCCCC#N)c1 ZINC000181662202 1021303205 /nfs/dbraw/zinc/30/32/05/1021303205.db2.gz VJBDJBPCEGBQBV-UHFFFAOYSA-N 0 1 322.408 3.779 20 30 DHEDMN Cc1cc(CN[C@H](Cn2cccn2)c2ccccc2)ccc1C#N ZINC000618194487 1021323063 /nfs/dbraw/zinc/32/30/63/1021323063.db2.gz UQNVVWJVQFHEAC-HXUWFJFHSA-N 0 1 316.408 3.594 20 30 DHEDMN C[C@H]1C[C@H](C)CN(Cc2ccc(C#N)c(Br)c2)C1 ZINC001236862760 1021406611 /nfs/dbraw/zinc/40/66/11/1021406611.db2.gz YBGVRKRJBDGVMC-RYUDHWBXSA-N 0 1 307.235 3.799 20 30 DHEDMN COc1ccc(-c2csc(C(C#N)C(=O)C=CC3CC3)n2)cc1 ZINC000744061429 1021419564 /nfs/dbraw/zinc/41/95/64/1021419564.db2.gz KVXMCDXIEJQHDC-KHSJVXASSA-N 0 1 324.405 3.961 20 30 DHEDMN COc1ccc(-c2csc([C@H](C#N)C(=O)C=CC3CC3)n2)cc1 ZINC000744061429 1021419569 /nfs/dbraw/zinc/41/95/69/1021419569.db2.gz KVXMCDXIEJQHDC-KHSJVXASSA-N 0 1 324.405 3.961 20 30 DHEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3cccc4cc[nH]c43)[nH]c21 ZINC000744160959 1021451387 /nfs/dbraw/zinc/45/13/87/1021451387.db2.gz PVVIDZYIJCOJGD-AWEZNQCLSA-N 0 1 314.348 3.843 20 30 DHEDMN Cc1ccc([C@H](C)C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)o1 ZINC000744161940 1021454494 /nfs/dbraw/zinc/45/44/94/1021454494.db2.gz XLUKDEORLHWUGD-QWHCGFSZSA-N 0 1 307.353 3.753 20 30 DHEDMN Cc1cc(Cl)nc(CNCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000850285584 1021466654 /nfs/dbraw/zinc/46/66/54/1021466654.db2.gz UZQYTUWXJZFQGJ-UHFFFAOYSA-N 0 1 311.816 3.888 20 30 DHEDMN C[C@H](NCc1cc(C#N)ccc1F)c1ccc2c(c1)CCCO2 ZINC000850444253 1021537254 /nfs/dbraw/zinc/53/72/54/1021537254.db2.gz IDYHDNBCQABJLL-ZDUSSCGKSA-N 0 1 310.372 3.873 20 30 DHEDMN Cc1nc(C(C)(C)NCc2ccc(OCC#N)cc2)sc1C ZINC000744424863 1021537684 /nfs/dbraw/zinc/53/76/84/1021537684.db2.gz YMRLFKWUJGHGQJ-UHFFFAOYSA-N 0 1 315.442 3.687 20 30 DHEDMN C#CCOc1ccc(CNCc2cc(F)ccc2SC)cc1 ZINC000744448979 1021549450 /nfs/dbraw/zinc/54/94/50/1021549450.db2.gz PVBZECVPDURCNG-UHFFFAOYSA-N 0 1 315.413 3.849 20 30 DHEDMN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000850761156 1021641423 /nfs/dbraw/zinc/64/14/23/1021641423.db2.gz IBICOHZTGYUCNS-BHOIQGAFSA-N 0 1 324.424 3.894 20 30 DHEDMN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000850761158 1021641596 /nfs/dbraw/zinc/64/15/96/1021641596.db2.gz IBICOHZTGYUCNS-GHHZWIFUSA-N 0 1 324.424 3.894 20 30 DHEDMN CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000850758522 1021642109 /nfs/dbraw/zinc/64/21/09/1021642109.db2.gz AKDAHPQBDSSFFR-MUQADHOPSA-N 0 1 324.424 3.723 20 30 DHEDMN C#CCSCCN[C@H](C)c1ncc(C(F)(F)F)cc1Cl ZINC000925456602 1021656924 /nfs/dbraw/zinc/65/69/24/1021656924.db2.gz ZCHIAZHAIKCQKS-SECBINFHSA-N 0 1 322.783 3.771 20 30 DHEDMN CCOc1ccc(O)c(C=NCc2nc3ccc(C)cc3[nH]2)c1 ZINC000745976072 1021816445 /nfs/dbraw/zinc/81/64/45/1021816445.db2.gz FVAGQEJCSRAZEL-VXLYETTFSA-N 0 1 309.369 3.595 20 30 DHEDMN COc1cc(CN2C[C@@H](C(F)(F)F)CC[C@@H]2C)ccc1C#N ZINC000619674712 1021824373 /nfs/dbraw/zinc/82/43/73/1021824373.db2.gz CXLQMKCMUBDBRH-FZMZJTMJSA-N 0 1 312.335 3.730 20 30 DHEDMN CC[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(F)cn1 ZINC000619755646 1021865828 /nfs/dbraw/zinc/86/58/28/1021865828.db2.gz OILSTFDOCKMUPW-OAHLLOKOSA-N 0 1 303.768 3.987 20 30 DHEDMN N#Cc1ccc(CN[C@H](c2cncc(F)c2)C2CC2)cc1Cl ZINC000619755069 1021867732 /nfs/dbraw/zinc/86/77/32/1021867732.db2.gz SBTPABIRRBKLDQ-KRWDZBQOSA-N 0 1 315.779 3.987 20 30 DHEDMN Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)ccn1C ZINC000194890189 1022036358 /nfs/dbraw/zinc/03/63/58/1022036358.db2.gz BHTVLPYBOCTKBU-OAHLLOKOSA-N 0 1 321.405 3.947 20 30 DHEDMN Cc1c(C(=O)C(C#N)c2nc(-c3ccccc3)cs2)ccn1C ZINC000194890189 1022036373 /nfs/dbraw/zinc/03/63/73/1022036373.db2.gz BHTVLPYBOCTKBU-OAHLLOKOSA-N 0 1 321.405 3.947 20 30 DHEDMN CCc1ccc(NC(=O)C(C#N)C(=O)CC2CCCCC2)cc1 ZINC000128396326 1022058937 /nfs/dbraw/zinc/05/89/37/1022058937.db2.gz SYQIZBVTRMMAJF-QGZVFWFLSA-N 0 1 312.413 3.867 20 30 DHEDMN CC(=NN=c1cc(C)c2ccc(C)c(C)c2[nH]1)c1cnn(C)c1 ZINC000920827163 1022172895 /nfs/dbraw/zinc/17/28/95/1022172895.db2.gz JLPNCVYRRGFJSE-UHFFFAOYSA-N 0 1 307.401 3.730 20 30 DHEDMN CC1(C)OCC[C@@H]1C/N=C/c1cc(Cl)cc(Cl)c1O ZINC000852997874 1022192467 /nfs/dbraw/zinc/19/24/67/1022192467.db2.gz DFWGHTROEYCYKQ-LZUJDIRXSA-N 0 1 302.201 3.933 20 30 DHEDMN C#CCOc1ccc(C=NNc2ccc(C(F)(F)F)cn2)cc1 ZINC000920986549 1022203573 /nfs/dbraw/zinc/20/35/73/1022203573.db2.gz IPMNRCQHODJEGY-UHFFFAOYSA-N 0 1 319.286 3.558 20 30 DHEDMN COC(=O)c1ccc(CN[C@@H](CCC#N)c2ccccc2)cc1C ZINC000893194006 1022203879 /nfs/dbraw/zinc/20/38/79/1022203879.db2.gz BRLVRTDZTRNOMU-IBGZPJMESA-N 0 1 322.408 3.916 20 30 DHEDMN N#CCOc1ccc(CN=Nc2cccc(Cl)c2F)cc1 ZINC000921137799 1022218399 /nfs/dbraw/zinc/21/83/99/1022218399.db2.gz LZNIWZJUZMATGI-UHFFFAOYSA-N 0 1 303.724 3.827 20 30 DHEDMN O=C1c2ccccc2C(=O)C(Nc2ccc3nc[nH]c3c2)=C1Cl ZINC001169048218 1022229667 /nfs/dbraw/zinc/22/96/67/1022229667.db2.gz RILYLLZZIKTGGN-UHFFFAOYSA-N 0 1 323.739 3.504 20 30 DHEDMN C=CCOc1ccccc1CNCc1ccc(O[C@@H](C)C#N)cc1 ZINC000111395295 1022287013 /nfs/dbraw/zinc/28/70/13/1022287013.db2.gz YXGLIVOHKCWOPG-INIZCTEOSA-N 0 1 322.408 3.832 20 30 DHEDMN CN(C[C@H](C#N)CCC#N)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000609574965 1022302790 /nfs/dbraw/zinc/30/27/90/1022302790.db2.gz HBLOCBVWRASZHH-UHOSZYNNSA-N 0 1 311.429 3.530 20 30 DHEDMN C=CCN(Cc1cccs1)Cc1ccc2c(c1)OCCO2 ZINC000064431460 1022302858 /nfs/dbraw/zinc/30/28/58/1022302858.db2.gz GHHWEFVJEMIREE-UHFFFAOYSA-N 0 1 301.411 3.708 20 30 DHEDMN C[C@@H]1c2c(F)cccc2CCN1CCOc1cccc(C#N)c1 ZINC000610004174 1022402187 /nfs/dbraw/zinc/40/21/87/1022402187.db2.gz CQCLQTFANFQWMP-CQSZACIVSA-N 0 1 310.372 3.695 20 30 DHEDMN CC(C)NC(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000155678405 1022411765 /nfs/dbraw/zinc/41/17/65/1022411765.db2.gz FFKZUZDHRKMBFK-GFCCVEGCSA-N 0 1 319.817 3.595 20 30 DHEDMN C=CCCCCCCCCNC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000854474387 1022477979 /nfs/dbraw/zinc/47/79/79/1022477979.db2.gz KIXCAVKRMAPYKE-OAHLLOKOSA-N 0 1 303.450 3.548 20 30 DHEDMN C#CCOc1ccccc1CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000776746106 1022485155 /nfs/dbraw/zinc/48/51/55/1022485155.db2.gz LACJLQOAVZEYSH-CQSZACIVSA-N 0 1 308.356 3.560 20 30 DHEDMN C=C(C)CN(CC)C(=O)CN(C)[C@@H](C)c1ccc(C)cc1C ZINC000615463734 1022491202 /nfs/dbraw/zinc/49/12/02/1022491202.db2.gz KWBWRPLNSYGPCP-KRWDZBQOSA-N 0 1 302.462 3.721 20 30 DHEDMN CN(C(=O)c1ccc(C#N)c(O)c1)c1cccc2ccccc21 ZINC000615468818 1022493571 /nfs/dbraw/zinc/49/35/71/1022493571.db2.gz ZFTPKCVOTXNXCL-UHFFFAOYSA-N 0 1 302.333 3.694 20 30 DHEDMN Cc1cccc(S(=O)(=O)Nc2cccc(C#N)c2C)c1Cl ZINC000180004604 1022602438 /nfs/dbraw/zinc/60/24/38/1022602438.db2.gz AOPQGTTVSPHSHB-UHFFFAOYSA-N 0 1 320.801 3.629 20 30 DHEDMN C#CCC(C)(C)C(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000767075506 1022637178 /nfs/dbraw/zinc/63/71/78/1022637178.db2.gz KTILIFZJYXLXGK-MRXNPFEDSA-N 0 1 309.413 3.584 20 30 DHEDMN C[C@H]1CN(c2ccccc2F)CCN1Cc1ccc(CC#N)cc1 ZINC000616132121 1022642799 /nfs/dbraw/zinc/64/27/99/1022642799.db2.gz JFGHZKHLLZRMGD-INIZCTEOSA-N 0 1 323.415 3.602 20 30 DHEDMN CC(N=Nc1cccc([N+](=O)[O-])c1)c1ccc(C(C)(C)O)cc1 ZINC000767361778 1022696147 /nfs/dbraw/zinc/69/61/47/1022696147.db2.gz QEASUGSWLZBVBY-UHFFFAOYSA-N 0 1 313.357 3.658 20 30 DHEDMN Cc1ccccc1[C@@H]1CCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000053279082 1022725420 /nfs/dbraw/zinc/72/54/20/1022725420.db2.gz JUEBLXPDOUEKJX-IBGZPJMESA-N 0 1 319.408 3.642 20 30 DHEDMN CC(=NNc1ccccn1)c1ccc(Br)c(F)c1 ZINC000767762477 1022801817 /nfs/dbraw/zinc/80/18/17/1022801817.db2.gz WFNHAEDLOKSTEY-UHFFFAOYSA-N 0 1 308.154 3.819 20 30 DHEDMN COC(=O)c1ccc(C(C)=NNc2cc(F)c(F)cc2F)cc1 ZINC000767783234 1022811694 /nfs/dbraw/zinc/81/16/94/1022811694.db2.gz WFDKUHODPRYXPR-UHFFFAOYSA-N 0 1 322.286 3.727 20 30 DHEDMN COc1ccc(NN=C(C)c2ccccc2F)c([N+](=O)[O-])c1 ZINC000767801774 1022813631 /nfs/dbraw/zinc/81/36/31/1022813631.db2.gz UQMNNHVFYSGKLI-UHFFFAOYSA-N 0 1 303.293 3.579 20 30 DHEDMN Cc1oc2ccccc2c1CC(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000767961618 1022855597 /nfs/dbraw/zinc/85/55/97/1022855597.db2.gz YHBDMKGPSAKMFS-MRXNPFEDSA-N 0 1 319.364 3.567 20 30 DHEDMN N#Cc1ccc(O)c(NC(=O)c2ccc(-c3ccco3)s2)c1 ZINC000768185326 1022918434 /nfs/dbraw/zinc/91/84/34/1022918434.db2.gz PESYMIJYARISRR-UHFFFAOYSA-N 0 1 310.334 3.838 20 30 DHEDMN CC(C)Cc1ncc(C=NNc2cc(C#N)cc(Cl)n2)s1 ZINC000768367040 1022952818 /nfs/dbraw/zinc/95/28/18/1022952818.db2.gz LMRVWXDTEBYQPT-UHFFFAOYSA-N 0 1 319.821 3.708 20 30 DHEDMN N#Cc1cc(Cl)nc(N=NCc2cc(Cl)ccc2F)c1 ZINC000768373461 1022955015 /nfs/dbraw/zinc/95/50/15/1022955015.db2.gz DIDCUQNGSWREPF-UHFFFAOYSA-N 0 1 309.131 3.845 20 30 DHEDMN C[C@H]1CN(CCCCC2(C#N)CCC2)C[C@](C)(C(F)F)O1 ZINC000931080803 1022968355 /nfs/dbraw/zinc/96/83/55/1022968355.db2.gz GDXPIHDHGHELTD-DZGCQCFKSA-N 0 1 300.393 3.595 20 30 DHEDMN CC(C)(C)c1ncc(CN[C@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000418144491 1022969449 /nfs/dbraw/zinc/96/94/49/1022969449.db2.gz KSAUIYCHWNKHLF-SFHVURJKSA-N 0 1 320.440 3.813 20 30 DHEDMN CCOc1cccc(CN[C@@H]2CCCc3cc(C#N)ccc32)n1 ZINC000418149939 1022977938 /nfs/dbraw/zinc/97/79/38/1022977938.db2.gz VJFRMWOXDINPGG-GOSISDBHSA-N 0 1 307.397 3.519 20 30 DHEDMN COc1cc(-c2nc3ccc(Cl)cc3[nH]2)ccc1OCC#N ZINC000123233636 1023016587 /nfs/dbraw/zinc/01/65/87/1023016587.db2.gz SPSVTUMKZZUNIO-UHFFFAOYSA-N 0 1 313.744 3.794 20 30 DHEDMN C[C@H](Cc1ccc(C#N)cc1)NCc1nccc(Cl)c1Cl ZINC001172297337 1033101494 /nfs/dbraw/zinc/10/14/94/1033101494.db2.gz DANUBIQJUQOYJO-LLVKDONJSA-N 0 1 320.223 3.981 20 30 DHEDMN C#Cc1cccc(NC(=O)CN(C)C[C@@H](CC)c2ccccc2)c1 ZINC000768916220 1023055386 /nfs/dbraw/zinc/05/53/86/1023055386.db2.gz WBTBYSJPGRSEGY-GOSISDBHSA-N 0 1 320.436 3.732 20 30 DHEDMN N#CC(C(=O)Nc1cccc2ccccc21)C(=O)[C@@H]1CC12CCC2 ZINC000759832499 1023087183 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ZINC000579251528 1028362685 /nfs/dbraw/zinc/36/26/85/1028362685.db2.gz XYIZIXLCDFUWFA-OAQYLSRUSA-N 0 1 321.395 3.647 20 30 DHEDMN C=C[C@@H]1CCCCN1C(=O)c1cccc2[nH]c(C(F)F)nc21 ZINC000935697553 1028367703 /nfs/dbraw/zinc/36/77/03/1028367703.db2.gz MBPOVTMWQOPVHV-SNVBAGLBSA-N 0 1 305.328 3.681 20 30 DHEDMN CN(CCC#N)c1ccc(CNc2cc3c(cn2)CCC3)cc1 ZINC000815159215 1028387873 /nfs/dbraw/zinc/38/78/73/1028387873.db2.gz MQGQUZDVYYMKEP-UHFFFAOYSA-N 0 1 306.413 3.532 20 30 DHEDMN CC(C)(C#N)CNCc1ccnc2c(Br)cccc12 ZINC000449239146 1028485055 /nfs/dbraw/zinc/48/50/55/1028485055.db2.gz IFLWDHHISMGFSX-UHFFFAOYSA-N 0 1 318.218 3.637 20 30 DHEDMN C#CCOc1cccc(Cl)c1CN(C)CCC1CCOCC1 ZINC000779158650 1028476979 /nfs/dbraw/zinc/47/69/79/1028476979.db2.gz VEZZQVLBVBWRSK-UHFFFAOYSA-N 0 1 321.848 3.601 20 30 DHEDMN N#C[C@@H](OC(=O)[C@@H]1CCCCN1C1CCCC1)C1CCCCC1 ZINC000815444477 1028501774 /nfs/dbraw/zinc/50/17/74/1028501774.db2.gz COBFECYCOSXXFE-ZWKOTPCHSA-N 0 1 318.461 3.799 20 30 DHEDMN C=CCOc1ccc(CNCc2ccnn2C2CCCC2)cc1 ZINC000449313609 1028544451 /nfs/dbraw/zinc/54/44/51/1028544451.db2.gz AKXFGFDWXAHRLJ-UHFFFAOYSA-N 0 1 311.429 3.853 20 30 DHEDMN Cc1ccc2cc(CNCc3ccc(C#N)cc3F)ccc2n1 ZINC000189323726 1028570089 /nfs/dbraw/zinc/57/00/89/1028570089.db2.gz STNQPJKTXYOHQC-UHFFFAOYSA-N 0 1 305.356 3.844 20 30 DHEDMN COc1cc(C)c(C=NNc2nc3ccccc3s2)c(C)n1 ZINC000781573962 1028580799 /nfs/dbraw/zinc/58/07/99/1028580799.db2.gz LKNFDNDBXZBXGE-UHFFFAOYSA-N 0 1 312.398 3.763 20 30 DHEDMN COc1cc(C)c(C=[NH+][N-]c2nc3ccccc3s2)c(C)n1 ZINC000781573962 1028580802 /nfs/dbraw/zinc/58/08/02/1028580802.db2.gz LKNFDNDBXZBXGE-UHFFFAOYSA-N 0 1 312.398 3.763 20 30 DHEDMN Cc1cnc([C@H]2CCCN(Cc3ccc(F)c(C#N)c3)C2)s1 ZINC000370426530 1028598768 /nfs/dbraw/zinc/59/87/68/1028598768.db2.gz YJGAIJQBJXLJFF-AWEZNQCLSA-N 0 1 315.417 3.842 20 30 DHEDMN N#Cc1ccc(-c2nnc(CN3C[C@H]4CCCCCC[C@@H]43)o2)cc1 ZINC000370546716 1028616042 /nfs/dbraw/zinc/61/60/42/1028616042.db2.gz MUBHWICFGQKTIX-SJORKVTESA-N 0 1 322.412 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ZINC000411137225 1029039556 /nfs/dbraw/zinc/03/95/56/1029039556.db2.gz PGSBCSBCPNMVEA-UHFFFAOYSA-N 0 1 309.866 3.849 20 30 DHEDMN C[C@H](CCC#N)N1CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000411149816 1029046679 /nfs/dbraw/zinc/04/66/79/1029046679.db2.gz SQBXPXYCMHBCMV-HUUCEWRRSA-N 0 1 305.853 3.711 20 30 DHEDMN C=CCC1(C(=O)N2CCC[C@H](c3cc(C)[nH]n3)C2)CCCCC1 ZINC000449984365 1029116205 /nfs/dbraw/zinc/11/62/05/1029116205.db2.gz HSHNXBOLKMGUQU-INIZCTEOSA-N 0 1 315.461 3.951 20 30 DHEDMN C=C(C)CN(CC)C(=O)CN[C@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000568886608 1029142560 /nfs/dbraw/zinc/14/25/60/1029142560.db2.gz YIAYBOMQYINCDW-KBXCAEBGSA-N 0 1 320.864 3.589 20 30 DHEDMN N#C[C@H](NC(=O)C(F)(F)c1cc(Cl)ccc1Cl)C1CC1 ZINC000817441031 1029170700 /nfs/dbraw/zinc/17/07/00/1029170700.db2.gz CTMIWAHSCDUUQN-NSHDSACASA-N 0 1 319.138 3.504 20 30 DHEDMN COc1cccc([C@@H]2C[C@@H](C)CN2Cc2ccc(C#N)cn2)c1 ZINC000569235668 1029198810 /nfs/dbraw/zinc/19/88/10/1029198810.db2.gz XDWAJIRBLDEBJX-KUHUBIRLSA-N 0 1 307.397 3.545 20 30 DHEDMN CCC[C@@H](C)CC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000155475598 1029238678 /nfs/dbraw/zinc/23/86/78/1029238678.db2.gz UJEVSXJCZFFLSX-PWSUYJOCSA-N 0 1 324.783 3.953 20 30 DHEDMN Cc1cnc([C@@H]2CCCN(Cc3ccc(C#N)cc3F)C2)s1 ZINC000374234712 1029252824 /nfs/dbraw/zinc/25/28/24/1029252824.db2.gz ULHCSYFVAQPZJG-OAHLLOKOSA-N 0 1 315.417 3.842 20 30 DHEDMN CCN(CC(=O)Nc1cc(Cl)ccc1C#N)C1CC(C)(C)C1 ZINC000412039800 1029307151 /nfs/dbraw/zinc/30/71/51/1029307151.db2.gz QEUNMCMGDHQMCB-UHFFFAOYSA-N 0 1 319.836 3.661 20 30 DHEDMN N#CC1(c2ccccn2)CCN([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000570178365 1029326926 /nfs/dbraw/zinc/32/69/26/1029326926.db2.gz IDKPVAAYFDGGPY-ZWKOTPCHSA-N 0 1 321.399 3.634 20 30 DHEDMN O=C(/C=C/c1nccn1-c1ccccc1)c1ccc(O)c(F)c1 ZINC000191296534 1029362758 /nfs/dbraw/zinc/36/27/58/1029362758.db2.gz ZZTKUDTVTFVHBW-CMDGGOBGSA-N 0 1 308.312 3.613 20 30 DHEDMN CN(CCCc1cc(-c2ccccc2)n[nH]1)CC1(C#N)CCC1 ZINC000450332063 1029366178 /nfs/dbraw/zinc/36/61/78/1029366178.db2.gz MRZVGZJEBBKUGF-UHFFFAOYSA-N 0 1 308.429 3.635 20 30 DHEDMN N#CCC[C@H](NC[C@@H](O)c1cc(F)ccc1F)c1ccccc1 ZINC000819184035 1029500359 /nfs/dbraw/zinc/50/03/59/1029500359.db2.gz WDJUGENYGDHDBJ-ZWKOTPCHSA-N 0 1 316.351 3.633 20 30 DHEDMN C=C[C@H]1C[C@]1(Nc1ccc2c(c1)nc1cc[nH]cc2-1)C(=O)OCC ZINC001170926441 1029543446 /nfs/dbraw/zinc/54/34/46/1029543446.db2.gz BSPJMQDNRIKOBW-HXPMCKFVSA-N 0 1 321.380 3.636 20 30 DHEDMN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCCC[C@@H]2C)cc1 ZINC000819944387 1029631110 /nfs/dbraw/zinc/63/11/10/1029631110.db2.gz MSJVYVXGMQKGKR-RRQGHBQHSA-N 0 1 312.413 3.723 20 30 DHEDMN CCO[C@H]1C[C@@H](NCc2cccc(F)c2C#N)C12CCCC2 ZINC000450975049 1029746190 /nfs/dbraw/zinc/74/61/90/1029746190.db2.gz XEJCZDWQEJGSDC-SJORKVTESA-N 0 1 302.393 3.525 20 30 DHEDMN CN(C)Cc1cccc(C(=O)/C=C/c2ccc(F)c(C#N)c2)c1 ZINC000821022693 1029799963 /nfs/dbraw/zinc/79/99/63/1029799963.db2.gz SZBDZIRSYLTJMU-VQHVLOKHSA-N 0 1 308.356 3.655 20 30 DHEDMN CC(C)(C#N)CCCCN1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451281464 1029835904 /nfs/dbraw/zinc/83/59/04/1029835904.db2.gz JNKYFTYDGKDNPV-IEBWSBKVSA-N 0 1 318.436 3.506 20 30 DHEDMN CC(N=Nc1ccc(F)cc1F)c1ccc2[nH]c(=O)oc2c1 ZINC000794856859 1029974961 /nfs/dbraw/zinc/97/49/61/1029974961.db2.gz RSYNWGLSRGNSGP-UHFFFAOYSA-N 0 1 303.268 3.648 20 30 DHEDMN C#C[C@H](N[C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1)c1ccc(Cl)cc1F ZINC000822481225 1030038607 /nfs/dbraw/zinc/03/86/07/1030038607.db2.gz MZPQEVNWUCLHIG-OZIGCIBSSA-N 0 1 321.823 3.947 20 30 DHEDMN N#CCSCCCN1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000451880222 1030040781 /nfs/dbraw/zinc/04/07/81/1030040781.db2.gz VBHOVUXUYXUMKI-INIZCTEOSA-N 0 1 314.458 3.737 20 30 DHEDMN N#C[C@H]1CC[C@@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000822497487 1030047808 /nfs/dbraw/zinc/04/78/08/1030047808.db2.gz FHLPQLGEADKQIE-GZMMTYOYSA-N 0 1 314.172 3.683 20 30 DHEDMN Cc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2C#N)cc1C ZINC000452041102 1030106214 /nfs/dbraw/zinc/10/62/14/1030106214.db2.gz LHCVMEKJFWRQRQ-MRXNPFEDSA-N 0 1 321.424 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GVWTYXYWGNUFTB-UZLBHIALSA-N 0 1 306.409 3.563 20 30 DHEDMN C[C@H](Cc1cccc(C#N)c1)N1CCO[C@H](c2ccccc2)C1 ZINC001171220994 1031959046 /nfs/dbraw/zinc/95/90/46/1031959046.db2.gz GVWTYXYWGNUFTB-UZLBHIALSA-N 0 1 306.409 3.563 20 30 DHEDMN C=CCCCCCCCCC(=O)N1Cc2n[nH]c(COC)c2C1 ZINC001144795433 1031968559 /nfs/dbraw/zinc/96/85/59/1031968559.db2.gz FXNKRAOZVQFWMF-UHFFFAOYSA-N 0 1 319.449 3.705 20 30 DHEDMN N#C[C@@H](C(=O)c1cncc2ccccc21)c1cnc2ccccc2n1 ZINC000361532803 1031973898 /nfs/dbraw/zinc/97/38/98/1031973898.db2.gz ZGTRXOWRMXHSPF-OAHLLOKOSA-N 0 1 324.343 3.668 20 30 DHEDMN N#CC(C(=O)c1cncc2ccccc21)c1cnc2ccccc2n1 ZINC000361532803 1031973904 /nfs/dbraw/zinc/97/39/04/1031973904.db2.gz ZGTRXOWRMXHSPF-OAHLLOKOSA-N 0 1 324.343 3.668 20 30 DHEDMN C[C@H](c1ccc(C#N)cc1)N1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361562111 1031987377 /nfs/dbraw/zinc/98/73/77/1031987377.db2.gz KEBNYCJDRACFHS-CQSZACIVSA-N 0 1 304.393 3.872 20 30 DHEDMN COC[C@@H](NCc1c(C)cc(C#N)cc1C)c1cccc(OC)c1 ZINC000930970168 1031999192 /nfs/dbraw/zinc/99/91/92/1031999192.db2.gz YUUJPUPFLDACEU-HXUWFJFHSA-N 0 1 324.424 3.661 20 30 DHEDMN CCCC[C@@H]1C[C@H](N(C)CCC#N)CCN1C(=O)OC(C)(C)C ZINC001172631904 1033300104 /nfs/dbraw/zinc/30/01/04/1033300104.db2.gz GZVVYASRBZVWRM-HZPDHXFCSA-N 0 1 323.481 3.790 20 30 DHEDMN N#CCc1cccc2c1CCN(CC[C@H]1CC1(Cl)Cl)C2 ZINC000860109210 1033300938 /nfs/dbraw/zinc/30/09/38/1033300938.db2.gz PKISRYBDVLICMP-AWEZNQCLSA-N 0 1 309.240 3.695 20 30 DHEDMN CC(C)[C@@H](CC(F)(F)F)NCc1cc(C#N)cnc1Cl ZINC000877461723 1033308520 /nfs/dbraw/zinc/30/85/20/1033308520.db2.gz GDRYKVGJGCWREF-LLVKDONJSA-N 0 1 305.731 3.673 20 30 DHEDMN COc1cnc(F)c(CN[C@H](CCCC#N)c2ccccc2)c1 ZINC000877549229 1033348823 /nfs/dbraw/zinc/34/88/23/1033348823.db2.gz KNBWXNKJGCREQX-QGZVFWFLSA-N 0 1 313.376 3.754 20 30 DHEDMN CCC[C@H](OCC)C(=O)C(C#N)c1nc2ccccc2s1 ZINC000860452172 1033386281 /nfs/dbraw/zinc/38/62/81/1033386281.db2.gz SWCJYYIBNHZEGV-AAEUAGOBSA-N 0 1 302.399 3.678 20 30 DHEDMN CCCC[C@@H](CC)CC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000117532245 1033395224 /nfs/dbraw/zinc/39/52/24/1033395224.db2.gz BBZDNANNXCCZJI-GDBMZVCRSA-N 0 1 300.402 3.940 20 30 DHEDMN N#CC(C(=O)[C@H]1CCCC12CC2)=C(O)C1(c2ccccc2)CC1 ZINC000860854440 1033513764 /nfs/dbraw/zinc/51/37/64/1033513764.db2.gz ZZNBVLWULIRGEL-JKSUJKDBSA-N 0 1 307.393 3.576 20 30 DHEDMN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1cccc(C#N)c1F ZINC000552828091 1033521070 /nfs/dbraw/zinc/52/10/70/1033521070.db2.gz IKKAIISBQALVCE-UGSOOPFHSA-N 0 1 310.372 3.521 20 30 DHEDMN CC[N@H+](Cc1cc(Br)ccc1[O-])CC1(CC#N)CC1 ZINC000878151834 1033596811 /nfs/dbraw/zinc/59/68/11/1033596811.db2.gz FHPPEFSQUCSKDU-UHFFFAOYSA-N 0 1 323.234 3.670 20 30 DHEDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])CC1(CC#N)CC1 ZINC000878151834 1033596815 /nfs/dbraw/zinc/59/68/15/1033596815.db2.gz FHPPEFSQUCSKDU-UHFFFAOYSA-N 0 1 323.234 3.670 20 30 DHEDMN Cc1cc(C#N)c(Nc2cccc(N3CCN(C)CC3)c2)cc1F ZINC001212717125 1033627111 /nfs/dbraw/zinc/62/71/11/1033627111.db2.gz OGIKOWCVUMCNNU-UHFFFAOYSA-N 0 1 324.403 3.501 20 30 DHEDMN Cc1ccc2nc([C@H]3CCCN3Cc3ccc(C#N)o3)[nH]c2c1 ZINC000878616979 1033771257 /nfs/dbraw/zinc/77/12/57/1033771257.db2.gz GVJCLPBNUNBXPI-QGZVFWFLSA-N 0 1 306.369 3.673 20 30 DHEDMN C=CCCOCCCCC(=O)Nc1cc(Cl)c(O)cc1F ZINC000553689119 1033795031 /nfs/dbraw/zinc/79/50/31/1033795031.db2.gz DXQYGBJHTYNTQC-UHFFFAOYSA-N 0 1 315.772 3.886 20 30 DHEDMN N#CCCN[C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173699990 1033836438 /nfs/dbraw/zinc/83/64/38/1033836438.db2.gz CNMJVIBETMYASK-LJQANCHMSA-N 0 1 306.409 3.626 20 30 DHEDMN C#CC[C@@H]1CCCN([C@@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000829773317 1033871063 /nfs/dbraw/zinc/87/10/63/1033871063.db2.gz CWALLZZCMYVUHA-QWHCGFSZSA-N 0 1 301.415 3.594 20 30 DHEDMN N#CCc1cccc2c1CC[N@H+](Cc1cccc(Cl)c1[O-])C2 ZINC000862542609 1033881454 /nfs/dbraw/zinc/88/14/54/1033881454.db2.gz VANWIQJVAFFZJI-UHFFFAOYSA-N 0 1 312.800 3.670 20 30 DHEDMN CC[C@@](C)(NCCOc1ccccc1C#N)c1nc(C)cs1 ZINC000173943259 1033891716 /nfs/dbraw/zinc/89/17/16/1033891716.db2.gz URXDEVUMOVEOCL-QGZVFWFLSA-N 0 1 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C=CCN(CC(=O)Nc1cccc(C(F)(F)F)c1)C(C)(C)C ZINC001174642602 1034523989 /nfs/dbraw/zinc/52/39/89/1034523989.db2.gz WIGPREIWZHKXEL-UHFFFAOYSA-N 0 1 314.351 3.930 20 30 DHEDMN C#CC[C@H]1C(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)N=C1C ZINC000899352646 1034591091 /nfs/dbraw/zinc/59/10/91/1034591091.db2.gz MUAIERWMICOIIT-SNVBAGLBSA-N 0 1 314.694 3.721 20 30 DHEDMN C#CCc1c(C)[nH]n(-c2ccc(Cl)c(C(F)(F)F)c2)c1=O ZINC000899352646 1034591096 /nfs/dbraw/zinc/59/10/96/1034591096.db2.gz MUAIERWMICOIIT-SNVBAGLBSA-N 0 1 314.694 3.721 20 30 DHEDMN COc1cccc(C2(NCC#Cc3ccc(F)cc3)CCC2)c1 ZINC001174826970 1034621475 /nfs/dbraw/zinc/62/14/75/1034621475.db2.gz OSQLTCGSFXZQSO-UHFFFAOYSA-N 0 1 309.384 3.855 20 30 DHEDMN COCC[C@@H]1CCCCN(Cc2ccc(Cl)cc2C#N)C1 ZINC000481183197 1034633978 /nfs/dbraw/zinc/63/39/78/1034633978.db2.gz QUIOZJZJVWUOGW-AWEZNQCLSA-N 0 1 306.837 3.850 20 30 DHEDMN CC(C)Oc1cccc(CNCc2cc(C#N)ccc2N(C)C)c1 ZINC000865418021 1034637370 /nfs/dbraw/zinc/63/73/70/1034637370.db2.gz GMJOFVFPQPGYBR-UHFFFAOYSA-N 0 1 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CS[C@H](C)CCC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000773790993 1035463145 /nfs/dbraw/zinc/46/31/45/1035463145.db2.gz XPYHKAGMGOIFCQ-NEPJUHHUSA-N 0 1 301.415 3.579 20 30 DHEDMN CN(C)Cc1cccc(C(=O)/C=C\c2cccc3c2CCOC3)c1 ZINC000905077895 1035477933 /nfs/dbraw/zinc/47/79/33/1035477933.db2.gz IPRXXZHUMNIWLE-KTKRTIGZSA-N 0 1 321.420 3.717 20 30 DHEDMN C[C@@H](NCc1ccc(C(C)(C)O)cc1)c1ccc(C#N)cc1F ZINC000775567033 1035549214 /nfs/dbraw/zinc/54/92/14/1035549214.db2.gz BQOZYEXIIBPXAU-CYBMUJFWSA-N 0 1 312.388 3.776 20 30 DHEDMN C#C[C@H](N[C@H](C)c1ccc(OC(C)(C)C)cc1)[C@H]1CCCO1 ZINC000775573462 1035560710 /nfs/dbraw/zinc/56/07/10/1035560710.db2.gz YSCZIOAFIVHZFA-FHLIZLRMSA-N 0 1 301.430 3.695 20 30 DHEDMN COCCN(Cc1csc(C)c1C)Cc1ccc(C#N)cc1 ZINC001180184066 1035607313 /nfs/dbraw/zinc/60/73/13/1035607313.db2.gz KZOHQFYRVBAYAU-UHFFFAOYSA-N 0 1 314.454 3.885 20 30 DHEDMN N#Cc1cc(C(=O)Nc2ccccc2-c2ccncc2)ccc1O ZINC001193511962 1035654390 /nfs/dbraw/zinc/65/43/90/1035654390.db2.gz IBRISAQHUSPRPR-UHFFFAOYSA-N 0 1 315.332 3.578 20 30 DHEDMN N#C[C@H]1CCC[C@@H](OC(=O)c2ccc(CN3CCCCC3)o2)C1 ZINC000905928801 1035705106 /nfs/dbraw/zinc/70/51/06/1035705106.db2.gz HRVNXVNWAYVUSO-LSDHHAIUSA-N 0 1 316.401 3.505 20 30 DHEDMN COc1cc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)ccc1C#N ZINC000443030691 1035749849 /nfs/dbraw/zinc/74/98/49/1035749849.db2.gz TXJGLDBUCXFPCX-UHFFFAOYSA-N 0 1 318.258 3.524 20 30 DHEDMN C#Cc1ccccc1NS(=O)(=O)c1ccc(C)c2ccccc21 ZINC001193865306 1035759928 /nfs/dbraw/zinc/75/99/28/1035759928.db2.gz XZFRNUBPHLDMHH-UHFFFAOYSA-N 0 1 321.401 3.930 20 30 DHEDMN C=CC[N@H+](C)Cc1cccc(Br)c1OC(F)F ZINC000494670628 1035764140 /nfs/dbraw/zinc/76/41/40/1035764140.db2.gz GCLOWLPIYXEFOT-UHFFFAOYSA-N 0 1 306.150 3.668 20 30 DHEDMN C=CCN(C)Cc1cccc(Br)c1OC(F)F ZINC000494670628 1035764154 /nfs/dbraw/zinc/76/41/54/1035764154.db2.gz GCLOWLPIYXEFOT-UHFFFAOYSA-N 0 1 306.150 3.668 20 30 DHEDMN CCCCCC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000130110369 1035929237 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COc1cccc(CN2CCC[C@H](CC#N)C2)c1OC(C)C ZINC000597174313 1040676465 /nfs/dbraw/zinc/67/64/65/1040676465.db2.gz OVEOMIVKOXRSNP-OAHLLOKOSA-N 0 1 302.418 3.608 20 30 DHEDMN N#CC[C@@H]1CCCN(Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000597177437 1040678770 /nfs/dbraw/zinc/67/87/70/1040678770.db2.gz MICXZHVBTUELDW-ZDUSSCGKSA-N 0 1 314.820 3.856 20 30 DHEDMN Cc1ccc(-c2n[nH]c(NC(=O)CC3(C#N)CCCCC3)n2)cc1 ZINC000597210352 1040686760 /nfs/dbraw/zinc/68/67/60/1040686760.db2.gz YEWANGHWBUAHEO-UHFFFAOYSA-N 0 1 323.400 3.583 20 30 DHEDMN COc1ccc(OC)c(CN(C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000442668169 1040998823 /nfs/dbraw/zinc/99/88/23/1040998823.db2.gz CDMLMFMXRKARLN-CQSZACIVSA-N 0 1 310.397 3.768 20 30 DHEDMN C[C@@H](CCC#N)CN[C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000602509673 1041078474 /nfs/dbraw/zinc/07/84/74/1041078474.db2.gz HMGSYCTXTKQYKH-BBRMVZONSA-N 0 1 316.836 3.692 20 30 DHEDMN CC(C)(NCc1cccc(C#N)n1)c1cccc(C(F)(F)F)c1 ZINC000602532808 1041093035 /nfs/dbraw/zinc/09/30/35/1041093035.db2.gz LZAZNKAKHNLLEL-UHFFFAOYSA-N 0 1 319.330 3.997 20 30 DHEDMN C[C@H](CCC#N)CN[C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000602610617 1041125298 /nfs/dbraw/zinc/12/52/98/1041125298.db2.gz HMSHEOCGQDCZBU-CXAGYDPISA-N 0 1 316.836 3.692 20 30 DHEDMN N#Cc1ccc(CN2CCC3(CCSCC3)CC2)c(F)c1 ZINC000602733418 1041187160 /nfs/dbraw/zinc/18/71/60/1041187160.db2.gz CDBOBOUJKZJSBZ-UHFFFAOYSA-N 0 1 304.434 3.807 20 30 DHEDMN CN(Cc1ccc(Br)cc1F)[C@H]1CC[C@@H](C#N)C1 ZINC000602926397 1041309231 /nfs/dbraw/zinc/30/92/31/1041309231.db2.gz PLQLHRJFYRFWKJ-MFKMUULPSA-N 0 1 311.198 3.712 20 30 DHEDMN CN(Cc1cccc(Cl)c1Cl)C[C@H](O)CC(C)(C)C#N ZINC000598584423 1041347831 /nfs/dbraw/zinc/34/78/31/1041347831.db2.gz LVBADTPEBMLVNQ-GFCCVEGCSA-N 0 1 315.244 3.726 20 30 DHEDMN C[C@H](CN(C)Cc1nnc(-c2cccc(C#N)c2)o1)C(C)(C)C ZINC000603057062 1041361837 /nfs/dbraw/zinc/36/18/37/1041361837.db2.gz ZLTSMBCEPZDWNJ-CYBMUJFWSA-N 0 1 312.417 3.722 20 30 DHEDMN C[C@@H](CN(C)Cc1nnc(-c2cccc(C#N)c2)o1)C(C)(C)C ZINC000603057063 1041362644 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331596046 /nfs/dbraw/zinc/59/60/46/331596046.db2.gz NGKNGFFQRWHNSI-UHFFFAOYSA-N 0 1 304.217 3.684 20 30 DHEDMN CC[C@@H](CC#N)NC1CC(c2ccc(Br)cc2)C1 ZINC000054183497 331770852 /nfs/dbraw/zinc/77/08/52/331770852.db2.gz BPVNFJYVMKTNLN-BLZCZZARSA-N 0 1 307.235 3.977 20 30 DHEDMN N#Cc1csc(CNCc2sccc2Br)c1 ZINC000086500285 332022751 /nfs/dbraw/zinc/02/27/51/332022751.db2.gz YCJPPNBPAWEESX-UHFFFAOYSA-N 0 1 313.245 3.734 20 30 DHEDMN Clc1ccc(C#CCN2CC[C@@H](Nc3ccccc3)C2)cc1 ZINC000427007759 332164421 /nfs/dbraw/zinc/16/44/21/332164421.db2.gz IYWWBIDTAJDQDH-LJQANCHMSA-N 0 1 310.828 3.878 20 30 DHEDMN N#Cc1ccccc1CN1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000559399386 332256139 /nfs/dbraw/zinc/25/61/39/332256139.db2.gz ACXUHTHZXZNXNY-SFHVURJKSA-N 0 1 312.800 3.865 20 30 DHEDMN Cc1ccccc1[C@@H](CO)NCc1cccc(OCCCC#N)c1 ZINC000531094490 332258706 /nfs/dbraw/zinc/25/87/06/332258706.db2.gz ALFFQWBVKZLFHO-HXUWFJFHSA-N 0 1 324.424 3.501 20 30 DHEDMN CCCCN(C)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000108355809 332271694 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20 30 DHEDMN COc1cc(CNCc2cnccc2C(C)(C)C)ccc1C#N ZINC000414492482 333996514 /nfs/dbraw/zinc/99/65/14/333996514.db2.gz AODQTWKZVAOJHI-UHFFFAOYSA-N 0 1 309.413 3.549 20 30 DHEDMN COCC[C@H](NCc1ccccc1C(C)(C)C#N)c1ccco1 ZINC000273224232 334044542 /nfs/dbraw/zinc/04/45/42/334044542.db2.gz DPUUJVXKNWGHQY-KRWDZBQOSA-N 0 1 312.413 3.948 20 30 DHEDMN CCCC[C@H](ON=C(C)C)C(=O)Nc1cc(C(C)=O)ccc1O ZINC000273518756 334048302 /nfs/dbraw/zinc/04/83/02/334048302.db2.gz NRJIZFBVYJOGAP-INIZCTEOSA-N 0 1 320.389 3.505 20 30 DHEDMN C[C@H]1CO[C@@H](c2ccccc2)CN1Cc1ccc(CC#N)cc1 ZINC000343530763 335175280 /nfs/dbraw/zinc/17/52/80/335175280.db2.gz DCIOVNKCIOGHMP-OXJNMPFZSA-N 0 1 306.409 3.715 20 30 DHEDMN CCN(CCCC1(C#N)CCOCC1)Cc1c(F)cccc1F ZINC000282019748 334130592 /nfs/dbraw/zinc/13/05/92/334130592.db2.gz PCBDLQOAGMOIHV-UHFFFAOYSA-N 0 1 322.399 3.887 20 30 DHEDMN CN(CCCC(C)(C)C#N)Cc1nc(-c2cccs2)no1 ZINC000285251949 334146454 /nfs/dbraw/zinc/14/64/54/334146454.db2.gz HGLHUHOYWWDAKZ-UHFFFAOYSA-N 0 1 304.419 3.560 20 30 DHEDMN C=CCOc1ccccc1CNCC1=Cc2ccccc2OC1 ZINC000111395257 334324907 /nfs/dbraw/zinc/32/49/07/334324907.db2.gz QWSFKNMLJXLRDY-UHFFFAOYSA-N 0 1 307.393 3.817 20 30 DHEDMN Cc1csc(C(C#N)C(=O)c2csc3c2CCCC3)n1 ZINC000041521152 334333844 /nfs/dbraw/zinc/33/38/44/334333844.db2.gz BMLARZYEMZXWTR-LLVKDONJSA-N 0 1 302.424 3.882 20 30 DHEDMN Cc1csc([C@H](C#N)C(=O)c2csc3c2CCCC3)n1 ZINC000041521152 334333845 /nfs/dbraw/zinc/33/38/45/334333845.db2.gz BMLARZYEMZXWTR-LLVKDONJSA-N 0 1 302.424 3.882 20 30 DHEDMN COc1cc(C)c(CNC2(c3cccc(C#N)c3)CC2)cc1OC ZINC000341208024 334417103 /nfs/dbraw/zinc/41/71/03/334417103.db2.gz AZRYAZJTDOCXLR-UHFFFAOYSA-N 0 1 322.408 3.663 20 30 DHEDMN CC(C)CCOc1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1 ZINC000443288377 338448383 /nfs/dbraw/zinc/44/83/83/338448383.db2.gz YJVMUYOTWLOZDV-UHFFFAOYSA-N 0 1 324.380 3.941 20 30 DHEDMN Cc1csc(C(C#N)C(=O)c2ccc(OC(C)(C)C)cn2)n1 ZINC000344630537 335265284 /nfs/dbraw/zinc/26/52/84/335265284.db2.gz IFXULFKPWKWMRZ-GFCCVEGCSA-N 0 1 315.398 3.514 20 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UYHYCXZWRBYDFH-GFCCVEGCSA-N 0 1 313.332 3.765 20 30 DHEDMN C=CCN1CC[C@@H](N(C)[C@@H](C)c2ccc(C(C)(C)C)cc2)C1=O ZINC000499986097 340048159 /nfs/dbraw/zinc/04/81/59/340048159.db2.gz AYQUBWQHEGLMQA-MAUKXSAKSA-N 0 1 314.473 3.764 20 30 DHEDMN C=CCCc1ccccc1NC(=O)Cc1n[nH]c2ccccc21 ZINC000504271658 340144053 /nfs/dbraw/zinc/14/40/53/340144053.db2.gz OMDJBFLSKJTVPA-UHFFFAOYSA-N 0 1 305.381 3.863 20 30 DHEDMN C=C(C)CN(CCO[C@@H]1CCCC[C@@H]1C)Cc1ccc(CO)o1 ZINC000512197533 340351951 /nfs/dbraw/zinc/35/19/51/340351951.db2.gz RAVDCQJPVQMGNY-QFBILLFUSA-N 0 1 321.461 3.745 20 30 DHEDMN C=CCOc1ccc(CNCc2cc(F)c(F)c(F)c2)cc1 ZINC000512501050 340364446 /nfs/dbraw/zinc/36/44/46/340364446.db2.gz CQRQUWZSOAETMQ-UHFFFAOYSA-N 0 1 307.315 3.959 20 30 DHEDMN C=CCOc1ccc(CNCc2cc(-c3ccccc3)n[nH]2)cc1 ZINC000512572797 340367433 /nfs/dbraw/zinc/36/74/33/340367433.db2.gz JFLLAPQKVAYHKK-UHFFFAOYSA-N 0 1 319.408 3.931 20 30 DHEDMN C=CCSCCNCc1c(F)cccc1Br ZINC000310028616 340435545 /nfs/dbraw/zinc/43/55/45/340435545.db2.gz QIMCOTKYIMIBFT-UHFFFAOYSA-N 0 1 304.228 3.597 20 30 DHEDMN C=CC1CCN(Cc2ccc(OC)c(Br)c2)CC1 ZINC000539828306 340903431 /nfs/dbraw/zinc/90/34/31/340903431.db2.gz DGOHUVSPTMXIBR-UHFFFAOYSA-N 0 1 310.235 3.856 20 30 DHEDMN N#Cc1ccc(CN[C@H](c2ccc(F)cc2)[C@H]2CCCO2)s1 ZINC000540588508 340936587 /nfs/dbraw/zinc/93/65/87/340936587.db2.gz UUXLBQNJFDNHET-IAGOWNOFSA-N 0 1 316.401 3.769 20 30 DHEDMN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1ccccc1Cl ZINC000073618156 341119250 /nfs/dbraw/zinc/11/92/50/341119250.db2.gz RJXRCCWHUOHIKU-ZIAGYGMSSA-N 0 1 306.837 3.580 20 30 DHEDMN N#Cc1cc(F)ccc1CN(C[C@H]1CCCO1)C1CCCC1 ZINC000075830862 341185039 /nfs/dbraw/zinc/18/50/39/341185039.db2.gz YASWIMBFELGSGC-GOSISDBHSA-N 0 1 302.393 3.621 20 30 DHEDMN CC[C@H](CC#N)N[C@H](C)Cc1ccc(Br)cc1F ZINC000136960637 341269641 /nfs/dbraw/zinc/26/96/41/341269641.db2.gz GAMVWKXYMVIEAR-ZWNOBZJWSA-N 0 1 313.214 3.801 20 30 DHEDMN N#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)s1 ZINC000552129466 341371656 /nfs/dbraw/zinc/37/16/56/341371656.db2.gz UDOUHBVUHBLYIX-CQSZACIVSA-N 0 1 318.829 3.926 20 30 DHEDMN N#Cc1ccc(CN2CC[C@@H](Oc3ccc(Cl)cc3)C2)s1 ZINC000552129466 341371657 /nfs/dbraw/zinc/37/16/57/341371657.db2.gz UDOUHBVUHBLYIX-CQSZACIVSA-N 0 1 318.829 3.926 20 30 DHEDMN C[C@@H](c1cccc(C#N)c1)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000249288960 341396103 /nfs/dbraw/zinc/39/61/03/341396103.db2.gz QHJBMBHREWTWDT-KKSFZXQISA-N 0 1 318.420 3.793 20 30 DHEDMN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccccc1[N+](=O)[O-] ZINC000554984645 341471580 /nfs/dbraw/zinc/47/15/80/341471580.db2.gz CBYXEQNSIROBLD-SJCJKPOMSA-N 0 1 307.353 3.805 20 30 DHEDMN N#Cc1ccc(CNCc2ccccc2OC(F)(F)F)s1 ZINC000176943715 341905834 /nfs/dbraw/zinc/90/58/34/341905834.db2.gz MSIJAOBNNVUAFG-UHFFFAOYSA-N 0 1 312.316 3.808 20 30 DHEDMN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1cn2ccsc2n1 ZINC000577572182 341919028 /nfs/dbraw/zinc/91/90/28/341919028.db2.gz QFMNJRPPCHWJPO-QGZVFWFLSA-N 0 1 322.437 3.825 20 30 DHEDMN N#CCC[C@H](C#N)CN[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000577572532 341919036 /nfs/dbraw/zinc/91/90/36/341919036.db2.gz LLOBLHLUWFKSQB-RIEGTJTDSA-N 0 1 308.212 3.882 20 30 DHEDMN Cc1nn(-c2ccccc2)c(C)c1CNCc1cc(C#N)cs1 ZINC000177681627 341923537 /nfs/dbraw/zinc/92/35/37/341923537.db2.gz XVXWJIRVGTVFHI-UHFFFAOYSA-N 0 1 322.437 3.712 20 30 DHEDMN CCCCOc1ncccc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000181581303 520921137 /nfs/dbraw/zinc/92/11/37/520921137.db2.gz PLUXWXXTHJJBIL-HNNXBMFYSA-N 0 1 309.413 3.983 20 30 DHEDMN CCC(C)(C)[C@H]1CCCN1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000156760698 521365996 /nfs/dbraw/zinc/36/59/96/521365996.db2.gz PHLNBQWKTMYOMF-OAHLLOKOSA-N 0 1 317.433 3.607 20 30 DHEDMN COC(=O)[C@@H]1C[C@@H](N[C@H](C)c2ccc(C#N)cc2)c2ccccc21 ZINC000363809880 523764455 /nfs/dbraw/zinc/76/44/55/523764455.db2.gz BDNVLELHNGZSFE-UPRAQXHNSA-N 0 1 320.392 3.610 20 30 DHEDMN C[C@H](NCc1cc(Cl)cc2c1OCC2)c1cccc(C#N)c1 ZINC000181534083 525431068 /nfs/dbraw/zinc/43/10/68/525431068.db2.gz GIZGVKGLWCQKEN-LBPRGKRZSA-N 0 1 312.800 3.997 20 30 DHEDMN CCCCC(CC)N=Nc1oc(C(C)(C)C)nc1-c1nn[nH]n1 ZINC000736439710 598788262 /nfs/dbraw/zinc/78/82/62/598788262.db2.gz TYKQKZCTNVGJAK-UHFFFAOYSA-N 0 1 319.413 3.520 20 30 DHEDMN N#Cc1cccc([C@H](C(=O)[O-])[N@@H+]2CCC[C@H]2c2cccs2)c1 ZINC000833074161 601309907 /nfs/dbraw/zinc/30/99/07/601309907.db2.gz QGMCPOHUBUZISK-GOEBONIOSA-N 0 1 312.394 3.583 20 30 DHEDMN N#Cc1cccc([C@H](C(=O)[O-])[N@H+]2CCC[C@H]2c2cccs2)c1 ZINC000833074161 601309908 /nfs/dbraw/zinc/30/99/08/601309908.db2.gz QGMCPOHUBUZISK-GOEBONIOSA-N 0 1 312.394 3.583 20 30 DHEDMN N#Cc1cccc([C@H](C(=O)[O-])[N@H+]2CCC[C@]3(CC=CCC3)C2)c1 ZINC000833074490 601318446 /nfs/dbraw/zinc/31/84/46/601318446.db2.gz YUWGQKJCVJCGGQ-IEBWSBKVSA-N 0 1 310.397 3.506 20 30 DHEDMN C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000828183984 601318851 /nfs/dbraw/zinc/31/88/51/601318851.db2.gz MSUYALJWOXBSLG-MDASCCDHSA-N 0 1 320.392 3.562 20 30 DHEDMN C[N@H+](Cc1cc2ccccc2o1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830811103 601323784 /nfs/dbraw/zinc/32/37/84/601323784.db2.gz MNGOEMABNZLFQO-GOSISDBHSA-N 0 1 320.348 3.562 20 30 DHEDMN C[N@@H+](Cc1cc2ccccc2o1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830811103 601323786 /nfs/dbraw/zinc/32/37/86/601323786.db2.gz MNGOEMABNZLFQO-GOSISDBHSA-N 0 1 320.348 3.562 20 30 DHEDMN C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccccc1C(=O)[O-] ZINC000833374711 604592035 /nfs/dbraw/zinc/59/20/35/604592035.db2.gz ZDVOFHKRCOWFAI-UHFFFAOYSA-N 0 1 311.381 3.582 20 30 DHEDMN Cc1ccc(C[C@H](C)[N@@H+](C)Cc2cccc(C(=O)[O-])c2C#N)cc1 ZINC000833749023 604611600 /nfs/dbraw/zinc/61/16/00/604611600.db2.gz ZGTRIAPEXLTKIH-HNNXBMFYSA-N 0 1 322.408 3.628 20 30 DHEDMN C[N@@H+](CC#Cc1cccc(Cl)c1)Cc1ccc(C(=O)[O-])cc1 ZINC000833690934 604922249 /nfs/dbraw/zinc/92/22/49/604922249.db2.gz FQMYCPIRDDOOLI-UHFFFAOYSA-N 0 1 313.784 3.522 20 30 DHEDMN C#CC[C@H](NCc1cc(C(=O)OC)c(C(C)C)[nH]1)c1ccccc1 ZINC000894362612 1013116684 /nfs/dbraw/zinc/11/66/84/1013116684.db2.gz WFYUZSJMYJIWOR-SFHVURJKSA-N 0 1 324.424 3.779 20 30 DHEDMN C=CCc1cc(OCC)cc(CN2CC[C@@H](C)[C@@H](F)C2)c1O ZINC000777968079 1032064518 /nfs/dbraw/zinc/06/45/18/1032064518.db2.gz MBCPFKVYEQUEGV-DYVFJYSZSA-N 0 1 307.409 3.699 20 30 DHEDMN C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(C(=O)[O-])s1 ZINC001589175303 956494222 /nfs/dbraw/zinc/49/42/22/956494222.db2.gz XLKFMYPYXQAQMH-LLVKDONJSA-N 0 1 300.383 3.511 20 30 DHEDMN C#CC[N@H+](CC(=O)[O-])[C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC001588420476 958204816 /nfs/dbraw/zinc/20/48/16/958204816.db2.gz ZQNZRTSYLGHBMG-HNNXBMFYSA-N 0 1 309.365 3.560 20 30 DHEDMN C#CC[N@@H+](CC(=O)[O-])[C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC001588420476 958204828 /nfs/dbraw/zinc/20/48/28/958204828.db2.gz ZQNZRTSYLGHBMG-HNNXBMFYSA-N 0 1 309.365 3.560 20 30 DHEDMN C=CCCCCCCC[NH+]1CCC([N-]C(=O)C(F)(F)F)CC1 ZINC001209439542 1013286735 /nfs/dbraw/zinc/28/67/35/1013286735.db2.gz SMOLFWJDSIAGLD-UHFFFAOYSA-N 0 1 320.399 3.656 20 30 DHEDMN CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(C(=O)[O-])c1 ZINC000263461508 962649075 /nfs/dbraw/zinc/64/90/75/962649075.db2.gz IVPJYVQMZVOTOH-UHFFFAOYSA-N 0 1 308.381 3.669 20 30 DHEDMN C=CC[C@H](C(=O)[O-])[N@H+]1CCC[C@H](CCCc2ccccc2)C1 ZINC001573351511 962979598 /nfs/dbraw/zinc/97/95/98/962979598.db2.gz VDHDNVGQCOIOBD-ZWKOTPCHSA-N 0 1 301.430 3.751 20 30 DHEDMN N#Cc1cc(CN[C@H](c2ccccc2)C2(CO)CCC2)cs1 ZINC000894610466 1013429901 /nfs/dbraw/zinc/42/99/01/1013429901.db2.gz NOERYLRUINQBSF-QGZVFWFLSA-N 0 1 312.438 3.613 20 30 DHEDMN C=CC[N@@H+](CCN1CCc2ccccc21)Cc1cccc(C#N)c1 ZINC001167251185 1013446298 /nfs/dbraw/zinc/44/62/98/1013446298.db2.gz BYZNAZCGOABAHA-UHFFFAOYSA-N 0 1 317.436 3.609 20 30 DHEDMN CCCCCCCCCN1CCc2ccccc2[C@@H]1C(N)=O ZINC001167976202 1013450932 /nfs/dbraw/zinc/45/09/32/1013450932.db2.gz OFWCMPBOSWSDDY-GOSISDBHSA-N 0 1 302.462 3.822 20 30 DHEDMN COc1ccccc1[C@@H]1CCCN1Cc1ccc(C#N)cc1OC ZINC000120821526 1013513420 /nfs/dbraw/zinc/51/34/20/1013513420.db2.gz YCRZZBFJYWHIDX-SFHVURJKSA-N 0 1 322.408 3.913 20 30 DHEDMN C=CCC[C@@H](NC(=O)Cc1n[nH]c2c1CCCC2)c1ccccc1 ZINC000188427528 1013540808 /nfs/dbraw/zinc/54/08/08/1013540808.db2.gz AVGQOHOVBPSLSX-QGZVFWFLSA-N 0 1 323.440 3.655 20 30 DHEDMN C#C[C@H](N[C@@H](C)[C@@H]1CC1(F)F)c1ccc(Br)cc1 ZINC000894872239 1013575476 /nfs/dbraw/zinc/57/54/76/1013575476.db2.gz ZZPILIURWXODFR-XDTLVQLUSA-N 0 1 314.173 3.757 20 30 DHEDMN CC(C)n1nccc1C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430622629 1013641875 /nfs/dbraw/zinc/64/18/75/1013641875.db2.gz FVSITEGVWAVNRU-LLVKDONJSA-N 0 1 316.430 3.708 20 30 DHEDMN C[C@H]([C@H]1Cc2ccccc2O1)N(C)CC#Cc1ccc(F)cc1 ZINC000441035355 1013657109 /nfs/dbraw/zinc/65/71/09/1013657109.db2.gz CWIZDYJEBZMDTC-FOIQADDNSA-N 0 1 309.384 3.501 20 30 DHEDMN C=CCC(C)(C)C(=O)N1CCN([C@@H](CC)c2ccccc2)CC1 ZINC001126498580 1013692400 /nfs/dbraw/zinc/69/24/00/1013692400.db2.gz VHNWLNRYPJYGSO-SFHVURJKSA-N 0 1 314.473 3.884 20 30 DHEDMN O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1n[nH]nc1-c1ccccc1 ZINC000328663261 1013789791 /nfs/dbraw/zinc/78/97/91/1013789791.db2.gz BDQOOZHUBAPXQW-HUUCEWRRSA-N 0 1 310.401 3.745 20 30 DHEDMN Cc1cc([C@@H]2CCCN(C(=O)N[C@H]3CC34CCCCC4)C2)n[nH]1 ZINC000328758178 1013794921 /nfs/dbraw/zinc/79/49/21/1013794921.db2.gz VNBWNYSDBWXVKG-ZBFHGGJFSA-N 0 1 316.449 3.534 20 30 DHEDMN Cc1cc([C@@H]2CCCN(C(=O)N[C@@H]3CCCCC3(C)C)C2)n[nH]1 ZINC000328763353 1013795298 /nfs/dbraw/zinc/79/52/98/1013795298.db2.gz ZLNWFVDWXTUXLC-GDBMZVCRSA-N 0 1 318.465 3.780 20 30 DHEDMN Cc1cc([C@@H]2CCCN(C(=O)N[C@H]3CCCC(C)(C)C3)C2)n[nH]1 ZINC000328728520 1013797375 /nfs/dbraw/zinc/79/73/75/1013797375.db2.gz GXLOUDNMBKXLHN-CABCVRRESA-N 0 1 318.465 3.780 20 30 DHEDMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)C1CCC(=O)CC1 ZINC000328880673 1013804535 /nfs/dbraw/zinc/80/45/35/1013804535.db2.gz KUDSZDUTVZPBFV-UHFFFAOYSA-N 0 1 307.300 3.848 20 30 DHEDMN [O-]C(N[C@@H]1CCCc2occc21)=[NH+][C@@H]1CCc2ccccc2C1 ZINC000328875365 1013804613 /nfs/dbraw/zinc/80/46/13/1013804613.db2.gz SAJZWTATDHLVGI-NVXWUHKLSA-N 0 1 310.397 3.718 20 30 DHEDMN O=C(N[C@@H]1CCc2ccccc2C1)N[C@@H]1CCCc2occc21 ZINC000328875365 1013804615 /nfs/dbraw/zinc/80/46/15/1013804615.db2.gz SAJZWTATDHLVGI-NVXWUHKLSA-N 0 1 310.397 3.718 20 30 DHEDMN CC(C)C[C@H](NC(=O)[C@H]1CCc2[nH]nnc2C1)c1cccs1 ZINC000328930624 1013808162 /nfs/dbraw/zinc/80/81/62/1013808162.db2.gz HPCGSSATDKZMDQ-FZMZJTMJSA-N 0 1 318.446 3.715 20 30 DHEDMN CC(C)C[C@H](NC(=O)[C@H]1CCc2nn[nH]c2C1)c1cccs1 ZINC000328930624 1013808168 /nfs/dbraw/zinc/80/81/68/1013808168.db2.gz HPCGSSATDKZMDQ-FZMZJTMJSA-N 0 1 318.446 3.715 20 30 DHEDMN CCc1nc([C@H](C)NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)n[nH]1 ZINC000328922732 1013808927 /nfs/dbraw/zinc/80/89/27/1013808927.db2.gz MQMIOACXVRXZDB-XDQVBPFNSA-N 0 1 304.438 3.991 20 30 DHEDMN CC(C)[NH+]=C([O-])N(C)c1ccc(OCC[C@H]2CCCCO2)cc1 ZINC000330832865 1013841887 /nfs/dbraw/zinc/84/18/87/1013841887.db2.gz VLOWPVWHSVLNGC-MRXNPFEDSA-N 0 1 320.433 3.783 20 30 DHEDMN C=CCCSCCNCc1c(Cl)n(C)nc1C(C)C ZINC000850354405 1021482592 /nfs/dbraw/zinc/48/25/92/1021482592.db2.gz GLWJXIATQPTKEY-UHFFFAOYSA-N 0 1 301.887 3.596 20 30 DHEDMN CCN(CC)c1ncc(CN[C@H](C)c2cccc(C#N)c2)s1 ZINC000610344801 1013953993 /nfs/dbraw/zinc/95/39/93/1013953993.db2.gz IOCFGJKNNSYVRD-CYBMUJFWSA-N 0 1 314.458 3.712 20 30 DHEDMN Cc1cccc(C)c1NC(=O)[C@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000610345878 1013955038 /nfs/dbraw/zinc/95/50/38/1013955038.db2.gz BFISDOJMIBBNFJ-HOTGVXAUSA-N 0 1 321.424 3.853 20 30 DHEDMN N#Cc1ccc(-c2nnc(CN3C4CCCC3CCC4)o2)cc1 ZINC000610370098 1013998989 /nfs/dbraw/zinc/99/89/89/1013998989.db2.gz APBKSARRIDBFRF-UHFFFAOYSA-N 0 1 308.385 3.515 20 30 DHEDMN COC(=O)c1scc(C#N)c1Nc1cccc(O)c1Cl ZINC001210852023 1014071126 /nfs/dbraw/zinc/07/11/26/1014071126.db2.gz RWKKYLZWFCKZTD-UHFFFAOYSA-N 0 1 308.746 3.509 20 30 DHEDMN CC[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@@H](C)C(=O)[O-] ZINC001603747455 974190944 /nfs/dbraw/zinc/19/09/44/974190944.db2.gz ROIQGVGJCFWAIY-AWEZNQCLSA-N 0 1 308.381 3.520 20 30 DHEDMN COc1ccc2c(c1)[C@H](N[C@@H](C)c1ccc(C#N)cc1)CCO2 ZINC000319798580 1014232662 /nfs/dbraw/zinc/23/26/62/1014232662.db2.gz HFVJLDPGTMUMRU-SCLBCKFNSA-N 0 1 308.381 3.741 20 30 DHEDMN C=C(C)CN1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000441488308 1014251552 /nfs/dbraw/zinc/25/15/52/1014251552.db2.gz QHKQAIPZMRGITC-CQSZACIVSA-N 0 1 323.278 3.704 20 30 DHEDMN C=CC[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000656760049 975686998 /nfs/dbraw/zinc/68/69/98/975686998.db2.gz OZBMKFPVWMZEPJ-IAQYHMDHSA-N 0 1 311.784 3.893 20 30 DHEDMN COc1cnccc1Nc1sc(Cc2ccccc2)cc1C#N ZINC001211257422 1014278235 /nfs/dbraw/zinc/27/82/35/1014278235.db2.gz LCWAQSHXHCHWQN-UHFFFAOYSA-N 0 1 321.405 3.780 20 30 DHEDMN CCCN(Cc1c[nH]nc1C(C)(C)C)Cc1ccc(C#N)cc1 ZINC000119269743 1014278881 /nfs/dbraw/zinc/27/88/81/1014278881.db2.gz ZLAYDJYLQGLUOJ-UHFFFAOYSA-N 0 1 310.445 3.991 20 30 DHEDMN COc1cnccc1Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC001211264125 1014294511 /nfs/dbraw/zinc/29/45/11/1014294511.db2.gz CFDCUKZCHQTHAN-UHFFFAOYSA-N 0 1 317.348 3.920 20 30 DHEDMN COc1ccc([C@H](C)N[C@H](C)c2cccc(C#N)c2)c(OC)c1 ZINC000319949375 1014296534 /nfs/dbraw/zinc/29/65/34/1014296534.db2.gz UEHPIRYLWFWXDB-KGLIPLIRSA-N 0 1 310.397 3.987 20 30 DHEDMN C=C(C)CN(CC)CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000061758569 1014371514 /nfs/dbraw/zinc/37/15/14/1014371514.db2.gz QLDRGGHCAXZIET-KRWDZBQOSA-N 0 1 314.473 3.712 20 30 DHEDMN C=C(C)CN(CC)[C@@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000255955447 1014526380 /nfs/dbraw/zinc/52/63/80/1014526380.db2.gz HTVCGXSEYKZNAJ-CABCVRRESA-N 0 1 314.429 3.897 20 30 DHEDMN COc1cc2c(c(CN[C@@H](C)c3ccc(C#N)cc3)c1)O[C@@H](C)C2 ZINC000520961995 1014621522 /nfs/dbraw/zinc/62/15/22/1014621522.db2.gz MBPACICHYXAVON-KBPBESRZSA-N 0 1 322.408 3.741 20 30 DHEDMN N#CCc1cccc2c1CC[N@@H+](C[C@H]1CCCC3(CCC3)O1)C2 ZINC000931332997 1032099308 /nfs/dbraw/zinc/09/93/08/1032099308.db2.gz PZWXTULALYUWSU-GOSISDBHSA-N 0 1 310.441 3.603 20 30 DHEDMN Cc1cc(NS(=O)(=O)c2ccccc2C#N)cc(C)c1Cl ZINC000442229643 1014646459 /nfs/dbraw/zinc/64/64/59/1014646459.db2.gz NNLFORXTSWWGEH-UHFFFAOYSA-N 0 1 320.801 3.629 20 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ZINC001588832490 984322688 /nfs/dbraw/zinc/32/26/88/984322688.db2.gz HJFBGMKDHJWJHQ-CQSZACIVSA-N 0 1 324.380 3.907 20 30 DHEDMN Cc1cc(NC[C@@H](c2ccccc2Cl)N(C)C)cc(C#N)n1 ZINC000341390592 1015290966 /nfs/dbraw/zinc/29/09/66/1015290966.db2.gz UTYFYUIYHKVNMF-KRWDZBQOSA-N 0 1 314.820 3.630 20 30 DHEDMN CCCN(Cc1ccnn1C1CCC1)Cc1ccc(C#N)cc1 ZINC000891652810 1015490197 /nfs/dbraw/zinc/49/01/97/1015490197.db2.gz MXTJROZALAXMJN-UHFFFAOYSA-N 0 1 308.429 3.892 20 30 DHEDMN CCC1(CC)CCC(NC(=O)[C@@H]2CCc3[nH]nnc3C2)CC1 ZINC000329057690 1015634227 /nfs/dbraw/zinc/63/42/27/1015634227.db2.gz TTWZFCNWEGYXNM-GFCCVEGCSA-N 0 1 304.438 3.615 20 30 DHEDMN CCC1(CC)CCC(NC(=O)[C@@H]2CCc3nn[nH]c3C2)CC1 ZINC000329057690 1015634229 /nfs/dbraw/zinc/63/42/29/1015634229.db2.gz TTWZFCNWEGYXNM-GFCCVEGCSA-N 0 1 304.438 3.615 20 30 DHEDMN C[N@H+](CC(C)(C)C#N)[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001598419139 991751486 /nfs/dbraw/zinc/75/14/86/991751486.db2.gz COGCXRYPJDUNFK-LBPRGKRZSA-N 0 1 315.200 3.601 20 30 DHEDMN C[N@@H+](CC(C)(C)C#N)[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001598419139 991751498 /nfs/dbraw/zinc/75/14/98/991751498.db2.gz COGCXRYPJDUNFK-LBPRGKRZSA-N 0 1 315.200 3.601 20 30 DHEDMN CC(C)(C)C1CCC(C#N)(NC(=O)c2ccc3cncn3c2)CC1 ZINC000341673921 1015657007 /nfs/dbraw/zinc/65/70/07/1015657007.db2.gz KEFYBWFVAMLDII-UHFFFAOYSA-N 0 1 324.428 3.563 20 30 DHEDMN CCc1nc([C@H](C)NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)n[nH]1 ZINC000329192678 1015658352 /nfs/dbraw/zinc/65/83/52/1015658352.db2.gz SDAUHPRVHQCQON-XDQVBPFNSA-N 0 1 304.438 3.991 20 30 DHEDMN N#CC(C(=O)[C@H]1C[C@@H]1C1CC1)c1nc2ccccc2n1C(F)F ZINC000176099998 1015676744 /nfs/dbraw/zinc/67/67/44/1015676744.db2.gz SRNXYJCYHBWXQV-GRYCIOLGSA-N 0 1 315.323 3.654 20 30 DHEDMN CC(C)[C@@H]1C[C@H](CC(=O)N[C@@H]2CCCc3cn[nH]c32)CCO1 ZINC000329306930 1015680059 /nfs/dbraw/zinc/68/00/59/1015680059.db2.gz PKVPGDSFOQOJEU-YUELXQCFSA-N 0 1 305.422 3.585 20 30 DHEDMN O=C(NC1(c2nnc[nH]2)CCC1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000329498830 1015718313 /nfs/dbraw/zinc/71/83/13/1015718313.db2.gz JVJVPBUCWIZAHQ-ZJUUUORDSA-N 0 1 316.327 3.509 20 30 DHEDMN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccccc1[N+](=O)[O-] ZINC000341819474 1015751145 /nfs/dbraw/zinc/75/11/45/1015751145.db2.gz XDSVEYKZYNMQEX-KRWDZBQOSA-N 0 1 307.353 3.634 20 30 DHEDMN CC(C)CCN(CCC#N)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000891937190 1015769783 /nfs/dbraw/zinc/76/97/83/1015769783.db2.gz AREUHBIHXCUBNC-IYBDPMFKSA-N 0 1 323.481 3.551 20 30 DHEDMN Cc1ccc(C=Cc2n[nH]c(SCCCSCC#N)n2)o1 ZINC000341947940 1015855417 /nfs/dbraw/zinc/85/54/17/1015855417.db2.gz KCSFGJPRXTWVLD-AATRIKPKSA-N 0 1 320.443 3.616 20 30 DHEDMN COCC1(C#N)CCN([C@@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000341981048 1015862081 /nfs/dbraw/zinc/86/20/81/1015862081.db2.gz QNTZRLMVKPLCMH-ZDUSSCGKSA-N 0 1 324.371 3.601 20 30 DHEDMN C[C@@H](c1ccc(C#N)cc1)N1CC(c2nc3ccccc3[nH]2)C1 ZINC000610847121 1015883837 /nfs/dbraw/zinc/88/38/37/1015883837.db2.gz LHUKQUNTCVAZFD-ZDUSSCGKSA-N 0 1 302.381 3.595 20 30 DHEDMN COc1ccc(C#N)cc1CN1CCCO[C@H](c2ccccc2)C1 ZINC000610953394 1015963434 /nfs/dbraw/zinc/96/34/34/1015963434.db2.gz BBIFZIMXLMKOKH-FQEVSTJZSA-N 0 1 322.408 3.530 20 30 DHEDMN Oc1ccc(CN=Nc2ccc(Br)cc2F)cc1 ZINC000728433122 1016110244 /nfs/dbraw/zinc/11/02/44/1016110244.db2.gz SSHHUDWJPVRDPS-UHFFFAOYSA-N 0 1 309.138 3.740 20 30 DHEDMN C=CCOc1cccc(CN[C@@H](C)c2n[nH]c([C@H](C)CC)n2)c1 ZINC000277418319 1016302241 /nfs/dbraw/zinc/30/22/41/1016302241.db2.gz MIGWRKKBTDRGSL-KGLIPLIRSA-N 0 1 314.433 3.734 20 30 DHEDMN C=C[C@H](C)NC(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000342406527 1016356182 /nfs/dbraw/zinc/35/61/82/1016356182.db2.gz DQDCJCUDJGSHLP-INIZCTEOSA-N 0 1 308.425 3.623 20 30 DHEDMN N#Cc1ccc2ncc(CN3CCC4(CCCCC4)CC3)n2c1 ZINC000092969018 1016407501 /nfs/dbraw/zinc/40/75/01/1016407501.db2.gz QGKMWVRIVZTVBN-UHFFFAOYSA-N 0 1 308.429 3.752 20 30 DHEDMN CC[C@H](OC1CCCCC1)C(=O)C(C#N)c1nc(C)cs1 ZINC000161158726 1016412331 /nfs/dbraw/zinc/41/23/31/1016412331.db2.gz OLTZVJNJALWKHV-KGLIPLIRSA-N 0 1 306.431 3.756 20 30 DHEDMN O=C(/C=C\c1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(O)c(F)c1 ZINC000588508916 1016517318 /nfs/dbraw/zinc/51/73/18/1016517318.db2.gz UVRJQPZPLOHEGZ-DJWKRKHSSA-N 0 1 321.691 3.989 20 30 DHEDMN Oc1c(Cl)cc(Cl)cc1/C=N/CC1(CF)CCOCC1 ZINC000840710683 1016581840 /nfs/dbraw/zinc/58/18/40/1016581840.db2.gz UGMQMRQCMQVVAW-CNHKJKLMSA-N 0 1 320.191 3.884 20 30 DHEDMN C[C@@H](N[C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(C#N)cc1F ZINC000611588009 1016618896 /nfs/dbraw/zinc/61/88/96/1016618896.db2.gz SJWGQQBAEAIFOP-WDEREUQCSA-N 0 1 324.359 3.691 20 30 DHEDMN CC(C)(C)CN(CCC#N)C[C@H](O)Cc1cccc(Cl)c1 ZINC000347062309 1016720552 /nfs/dbraw/zinc/72/05/52/1016720552.db2.gz VKBWFRCTNFSYTP-MRXNPFEDSA-N 0 1 308.853 3.505 20 30 DHEDMN C[C@H](NCc1ccc(C#N)cn1)c1ccccc1C(F)(F)F ZINC000562043404 1016765825 /nfs/dbraw/zinc/76/58/25/1016765825.db2.gz WAROOXSUHCORCR-NSHDSACASA-N 0 1 305.303 3.823 20 30 DHEDMN C[N@@H+](Cc1ccc(Br)o1)Cc1ccc(CC#N)cc1 ZINC000342690816 1017016750 /nfs/dbraw/zinc/01/67/50/1017016750.db2.gz HAWOMSPWILBDMN-UHFFFAOYSA-N 0 1 319.202 3.740 20 30 DHEDMN CN(Cc1ccc(Br)o1)Cc1ccc(CC#N)cc1 ZINC000342690816 1017016761 /nfs/dbraw/zinc/01/67/61/1017016761.db2.gz HAWOMSPWILBDMN-UHFFFAOYSA-N 0 1 319.202 3.740 20 30 DHEDMN C#C[C@H]1CCC[N@H+]([C@H](C)c2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000847026396 1032182438 /nfs/dbraw/zinc/18/24/38/1032182438.db2.gz YLZKMXHAGVBTMC-OLZOCXBDSA-N 0 1 315.804 3.796 20 30 DHEDMN C#C[C@H]1CCCN([C@H](C)c2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000847026396 1032182441 /nfs/dbraw/zinc/18/24/41/1032182441.db2.gz YLZKMXHAGVBTMC-OLZOCXBDSA-N 0 1 315.804 3.796 20 30 DHEDMN N#Cc1ccc(C2(NCc3cnc(Cl)c(F)c3)CCC2)cc1 ZINC000847058886 1032194897 /nfs/dbraw/zinc/19/48/97/1032194897.db2.gz NPYOBNRLUBVAKG-UHFFFAOYSA-N 0 1 315.779 3.915 20 30 DHEDMN C=CCCC1(CNC(=O)c2cccc(-c3nnc[nH]3)c2)CCCC1 ZINC001147172607 1032287811 /nfs/dbraw/zinc/28/78/11/1032287811.db2.gz SUGSQAGDBSMPEN-UHFFFAOYSA-N 0 1 324.428 3.728 20 30 DHEDMN CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2cncs2)c1 ZINC000772986066 1032365964 /nfs/dbraw/zinc/36/59/64/1032365964.db2.gz ZMJZONVJSNFFDQ-OCCSQVGLSA-N 0 1 301.415 3.675 20 30 DHEDMN N#CCC[C@H](NC(=O)c1ccc(O)c(Cl)c1)c1ccccc1 ZINC000121002574 1032412852 /nfs/dbraw/zinc/41/28/52/1032412852.db2.gz XIABHJZIFZTDTC-HNNXBMFYSA-N 0 1 314.772 3.820 20 30 DHEDMN CC(C)(C)CN(CCC#N)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000348135506 1032474152 /nfs/dbraw/zinc/47/41/52/1032474152.db2.gz JPRBMIQMBQLTQQ-UHFFFAOYSA-N 0 1 319.405 3.625 20 30 DHEDMN CC[C@@H](C#N)Oc1cccc(CNCc2cc(C)ccc2OC)c1 ZINC000073012287 1017091029 /nfs/dbraw/zinc/09/10/29/1017091029.db2.gz ZIADTSHGVCMDSD-SFHVURJKSA-N 0 1 324.424 3.974 20 30 DHEDMN CC(C)(C)OC(=O)c1ccc(C(=O)C(C#N)c2ccccn2)cc1 ZINC000092694749 1032506229 /nfs/dbraw/zinc/50/62/29/1032506229.db2.gz BGVCRXRMMVXWDC-HNNXBMFYSA-N 0 1 322.364 3.527 20 30 DHEDMN CC(C)(C)OC(=O)c1cccc(C(=O)C(C#N)c2ccccn2)c1 ZINC000093244571 1032526655 /nfs/dbraw/zinc/52/66/55/1032526655.db2.gz 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CC(C)(C)OCCCn1[nH]c(C(C)(C)C)c(CCC#N)c1=O ZINC000611145468 1019402090 /nfs/dbraw/zinc/40/20/90/1019402090.db2.gz WRDFLHKHMJENTN-UHFFFAOYSA-N 0 1 307.438 3.548 20 30 DHEDMN Cc1nn(-c2ccccc2)c(CN2CCC[C@H]2C(C)C)c1C#N ZINC000611346295 1019454182 /nfs/dbraw/zinc/45/41/82/1019454182.db2.gz LOIVBMNSVZBZGI-SFHVURJKSA-N 0 1 308.429 3.673 20 30 DHEDMN CC(C)CCC[C@H](C)NC(=O)CN[C@H](C)c1cccc(C#N)c1 ZINC000611387269 1019462191 /nfs/dbraw/zinc/46/21/91/1019462191.db2.gz IXIYFXMISUNFDL-JKSUJKDBSA-N 0 1 315.461 3.540 20 30 DHEDMN CC(C)c1ccc(NC(=O)CN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000611386536 1019462921 /nfs/dbraw/zinc/46/29/21/1019462921.db2.gz MUSWYPMSQKYHNR-OAHLLOKOSA-N 0 1 321.424 3.971 20 30 DHEDMN C[C@@H](c1ccccc1)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611553081 1019520501 /nfs/dbraw/zinc/52/05/01/1019520501.db2.gz QKFHWAJNWTUIMD-JXFKEZNVSA-N 0 1 323.415 3.769 20 30 DHEDMN C[C@@H]1C[C@@H](NC2(C#N)CCCCCC2)CN1Cc1ccccc1 ZINC001171725390 1032844331 /nfs/dbraw/zinc/84/43/31/1032844331.db2.gz 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ZINC000792102451 1024626322 /nfs/dbraw/zinc/62/63/22/1024626322.db2.gz FERXLOTYLZFUJA-AWEZNQCLSA-N 0 1 319.339 3.578 20 30 DHEDMN N#CC(C(=O)Cc1ccc(F)c(F)c1)c1nccc2ccccc21 ZINC000792096753 1024631337 /nfs/dbraw/zinc/63/13/37/1024631337.db2.gz QSNGXRKDJNVBRB-HNNXBMFYSA-N 0 1 322.314 3.932 20 30 DHEDMN Cn1c2ccccc2nc1C(C#N)C(=O)c1cc2occc2s1 ZINC000606144834 1024692485 /nfs/dbraw/zinc/69/24/85/1024692485.db2.gz DNPCNKWNMSVZOY-JTQLQIEISA-N 0 1 321.361 3.871 20 30 DHEDMN CC1(C)c2ccccc2C(=O)/C1=C/c1cc(O)ccc1[N+](=O)[O-] ZINC000772805472 1024709285 /nfs/dbraw/zinc/70/92/85/1024709285.db2.gz HSFSVRBRPRYJQC-GDNBJRDFSA-N 0 1 309.321 3.858 20 30 DHEDMN CCOc1cccc(C(=O)/C=C\c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000772805436 1024712692 /nfs/dbraw/zinc/71/26/92/1024712692.db2.gz HBDBWUSMOJXKMM-TWGQIWQCSA-N 0 1 313.309 3.595 20 30 DHEDMN C[C@H](NCc1cccc(OCCCC#N)c1)c1ccncc1F ZINC000337948534 1033243703 /nfs/dbraw/zinc/24/37/03/1033243703.db2.gz HXSWYJVLYMIORU-AWEZNQCLSA-N 0 1 313.376 3.754 20 30 DHEDMN 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DHEDMN Cc1ccc2nc(N=Cc3cc4ccccc4[nH]c3=O)[nH]c2c1 ZINC000793667889 1025139459 /nfs/dbraw/zinc/13/94/59/1025139459.db2.gz LJCNABDTUROFAQ-UHFFFAOYSA-N 0 1 302.337 3.876 20 30 DHEDMN N#Cc1cccc(OCCCN2CC[C@H]2c2cccc(F)c2)c1 ZINC000610786661 1025143625 /nfs/dbraw/zinc/14/36/25/1025143625.db2.gz AUGCBGWTUGSVMD-IBGZPJMESA-N 0 1 310.372 3.913 20 30 DHEDMN CN(CCC(C)(C)C#N)Cc1ccccc1OC(F)(F)F ZINC000157561155 1025153266 /nfs/dbraw/zinc/15/32/66/1025153266.db2.gz GHSRRYYSJRPLBJ-UHFFFAOYSA-N 0 1 300.324 3.957 20 30 DHEDMN COc1ccc(C#N)cc1C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000610964759 1025261919 /nfs/dbraw/zinc/26/19/19/1025261919.db2.gz CGTLDVGIGIVINA-LJQANCHMSA-N 0 1 324.449 3.857 20 30 DHEDMN COc1ccc(C#N)cc1CN1CCS[C@@H](c2ccccc2)C1 ZINC000610964759 1025261927 /nfs/dbraw/zinc/26/19/27/1025261927.db2.gz CGTLDVGIGIVINA-LJQANCHMSA-N 0 1 324.449 3.857 20 30 DHEDMN C#CC[C@@H]1CCC[N@H+](Cc2cccc(C(=O)C(F)(F)F)c2)C1 ZINC000829815147 1025283299 /nfs/dbraw/zinc/28/32/99/1025283299.db2.gz FXDYZTSFFRBUOY-CYBMUJFWSA-N 0 1 309.331 3.667 20 30 DHEDMN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)[C@H]1CC1(C)C ZINC000126097990 1025376155 /nfs/dbraw/zinc/37/61/55/1025376155.db2.gz RVWWWJCLVAGHOI-LSDHHAIUSA-N 0 1 312.413 3.505 20 30 DHEDMN CC(C)(CCC#N)C[NH+]1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000124045681 1025410584 /nfs/dbraw/zinc/41/05/84/1025410584.db2.gz PSBACFJALATQNR-UHFFFAOYSA-N 0 1 314.429 3.617 20 30 DHEDMN C=CCCC1(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000354398721 1025422634 /nfs/dbraw/zinc/42/26/34/1025422634.db2.gz VRDCLXVNGLXFFM-GOSISDBHSA-N 0 1 312.457 3.514 20 30 DHEDMN N#CC1(C[C@H](O)CN2CCC[C@@H]2c2ccc(F)c(F)c2)CCC1 ZINC000886008516 1025437096 /nfs/dbraw/zinc/43/70/96/1025437096.db2.gz OOVAABGKYHMOCB-WMLDXEAASA-N 0 1 320.383 3.547 20 30 DHEDMN CCC1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC001137632860 1025448272 /nfs/dbraw/zinc/44/82/72/1025448272.db2.gz MPZQBWDFYFYMJC-UHFFFAOYSA-N 0 1 307.235 3.943 20 30 DHEDMN N#CCCCOc1cccc(C[N@H+]2CCc3ccsc3C2)c1 ZINC000127056763 1025528366 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COc1cc(C)ccc1CNCc1ccc(SC)c(C#N)c1 ZINC000886276964 1025577739 /nfs/dbraw/zinc/57/77/39/1025577739.db2.gz BRJRYIWDAFHNTF-UHFFFAOYSA-N 0 1 312.438 3.887 20 30 DHEDMN N#CC(C(=O)c1ccccc1)c1nc(-c2ccncc2)cs1 ZINC000128840621 1025592740 /nfs/dbraw/zinc/59/27/40/1025592740.db2.gz USKXJEBGXJLTHQ-AWEZNQCLSA-N 0 1 305.362 3.695 20 30 DHEDMN N#CCC1CCN(Cc2cc(OC(F)(F)F)ccc2F)CC1 ZINC001143544274 1025599754 /nfs/dbraw/zinc/59/97/54/1025599754.db2.gz DQUCDOPAFUSHOA-UHFFFAOYSA-N 0 1 316.298 3.850 20 30 DHEDMN CC(C)c1ccc(C(=O)C(C#N)c2nc3ccccc3n2C)nc1 ZINC000355113776 1025605811 /nfs/dbraw/zinc/60/58/11/1025605811.db2.gz HVCZZLAZAPKDKR-CQSZACIVSA-N 0 1 318.380 3.582 20 30 DHEDMN N#Cc1ccc(O)c(NC(=O)c2c(Cl)cccc2Cl)c1 ZINC000147202121 1025634358 /nfs/dbraw/zinc/63/43/58/1025634358.db2.gz VPAAFWHXVGOWEL-UHFFFAOYSA-N 0 1 307.136 3.823 20 30 DHEDMN C[C@@H](CC#N)[N@H+](C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000894001987 1025649835 /nfs/dbraw/zinc/64/98/35/1025649835.db2.gz KQFIBXDGCKAXEE-QMMMGPOBSA-N 0 1 317.614 3.542 20 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1 301.434 3.504 20 30 DHEDMN N#CC1CCN(Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000057879741 1025912906 /nfs/dbraw/zinc/91/29/06/1025912906.db2.gz GGJICUUNBBGQKU-UHFFFAOYSA-N 0 1 319.408 3.674 20 30 DHEDMN CC[C@@H]1[C@@H](C)CCN1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000614219124 1025935950 /nfs/dbraw/zinc/93/59/50/1025935950.db2.gz ZEOPQBHBEPOGHN-KBXCAEBGSA-N 0 1 308.429 3.673 20 30 DHEDMN CC(C)[C@@H](Cc1ccc(F)cc1)N(C)Cc1nc(C#N)cs1 ZINC000356114516 1025951883 /nfs/dbraw/zinc/95/18/83/1025951883.db2.gz RKGUVZWCZSSWLZ-MRXNPFEDSA-N 0 1 317.433 3.853 20 30 DHEDMN C[C@H](NCc1ccc(C#N)cc1C(F)(F)F)c1cncc(F)c1 ZINC000356421341 1026044916 /nfs/dbraw/zinc/04/49/16/1026044916.db2.gz IUQLGFSLZJDRAA-JTQLQIEISA-N 0 1 323.293 3.962 20 30 DHEDMN C=C[C@@H]1OCCC[C@H]1NCc1cc(-c2ccccc2Cl)on1 ZINC000419276463 1026080915 /nfs/dbraw/zinc/08/09/15/1026080915.db2.gz FORBBLXPHJYPLH-CVEARBPZSA-N 0 1 318.804 3.818 20 30 DHEDMN N#CC1(CCN[C@@H](CO)c2cccc(Cl)c2F)CCCCC1 ZINC000411662036 1026085421 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/nfs/dbraw/zinc/20/64/78/1026206478.db2.gz WEGYBUUGCMWBFL-UHFFFAOYSA-N 0 1 301.434 3.564 20 30 DHEDMN COC1(C(F)(F)F)CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000419347864 1026206609 /nfs/dbraw/zinc/20/66/09/1026206609.db2.gz KNDIJPQOJQRZQG-LBPRGKRZSA-N 0 1 312.335 3.663 20 30 DHEDMN COc1ccc(CN2CC=C(c3ccc(F)cc3)CC2)cc1C#N ZINC000533079595 1026210937 /nfs/dbraw/zinc/21/09/37/1026210937.db2.gz HAJKKEBISJKRPI-UHFFFAOYSA-N 0 1 322.383 3.995 20 30 DHEDMN CC(C)(C)c1ncc(CNCc2ccc(C#N)c(F)c2)s1 ZINC000404844187 1026338348 /nfs/dbraw/zinc/33/83/48/1026338348.db2.gz NXUYLNIQUYKQAP-UHFFFAOYSA-N 0 1 303.406 3.741 20 30 DHEDMN O=C(/C=C\c1cc(O)ccc1[N+](=O)[O-])c1c(F)cccc1Cl ZINC000809159945 1026471993 /nfs/dbraw/zinc/47/19/93/1026471993.db2.gz ZRKCBIARVMBIAE-DAXSKMNVSA-N 0 1 321.691 3.989 20 30 DHEDMN C=CC1CCN(Cc2c(C)nn(-c3ccccn3)c2Cl)CC1 ZINC000809574987 1026553208 /nfs/dbraw/zinc/55/32/08/1026553208.db2.gz USTCZWJFFPBAGX-UHFFFAOYSA-N 0 1 316.836 3.627 20 30 DHEDMN C#Cc1ccc(CNCc2ccnc(OC3CCCC3)c2)cc1 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N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CCCC1CCOCC1 ZINC000368632927 333272104 /nfs/dbraw/zinc/27/21/04/333272104.db2.gz PLZYWWOQHISQCA-PMACEKPBSA-N 0 1 312.457 3.965 20 30 DHEDMN N#C[C@H]1CCC[C@@H](NCc2ccc(F)cc2Br)C1 ZINC000192719984 333291963 /nfs/dbraw/zinc/29/19/63/333291963.db2.gz VNADKZWRCXTYQA-GXFFZTMASA-N 0 1 311.198 3.760 20 30 DHEDMN C=C(Cl)CN(C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160718795 333367578 /nfs/dbraw/zinc/36/75/78/333367578.db2.gz JKGQPTNNPBOPAZ-PBWFPOADSA-N 0 1 314.857 3.601 20 30 DHEDMN C#CCOc1ccc(CN[C@H](C)c2sccc2OC)cc1 ZINC000296388331 335144078 /nfs/dbraw/zinc/14/40/78/335144078.db2.gz JYFKETYSJGXMDC-CYBMUJFWSA-N 0 1 301.411 3.620 20 30 DHEDMN C[C@@H](NCC#Cc1ccc(F)cc1)[C@H]1OCCc2sccc21 ZINC000366534158 333655491 /nfs/dbraw/zinc/65/54/91/333655491.db2.gz KCHFQBHNKQBALG-FZKQIMNGSA-N 0 1 315.413 3.531 20 30 DHEDMN CCCOc1ccc(O[C@H]2CCCC[C@@H]2NCCC#N)cc1 ZINC000411552057 333693187 /nfs/dbraw/zinc/69/31/87/333693187.db2.gz AHYGMEBVAPKPJY-ROUUACIJSA-N 0 1 302.418 3.669 20 30 DHEDMN C[C@H](NCC(C)(C)CC#N)c1nc2ccc(Cl)cc2n1C ZINC000414162836 333915464 /nfs/dbraw/zinc/91/54/64/333915464.db2.gz HUQURAPIBPMWLZ-NSHDSACASA-N 0 1 304.825 3.817 20 30 DHEDMN Cc1cc2oc(=O)cc(CN3CCC(C)(C#N)CC3)c2cc1C ZINC000272505219 334035953 /nfs/dbraw/zinc/03/59/53/334035953.db2.gz FENUCGYAWCYNOR-UHFFFAOYSA-N 0 1 310.397 3.536 20 30 DHEDMN COCC[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccco1 ZINC000272577937 334037531 /nfs/dbraw/zinc/03/75/31/334037531.db2.gz QBQMXJPLHIAOHI-WMLDXEAASA-N 0 1 314.385 3.610 20 30 DHEDMN CN(CCCSCC#N)[C@]1(c2ccccc2)CCCCC1=O ZINC000276437472 334078286 /nfs/dbraw/zinc/07/82/86/334078286.db2.gz KRPUIDLLJSBQPK-SFHVURJKSA-N 0 1 316.470 3.604 20 30 DHEDMN CC(C)(C)c1[nH]n(CCc2ccccc2F)c(=O)c1CCC#N ZINC000277842368 334091361 /nfs/dbraw/zinc/09/13/61/334091361.db2.gz CZRXAFREYSEVJC-UHFFFAOYSA-N 0 1 315.392 3.724 20 30 DHEDMN CC[C@H](NCc1cccc(OC)c1OC)c1ccc(C#N)cc1 ZINC000278274157 334094423 /nfs/dbraw/zinc/09/44/23/334094423.db2.gz PFPPCFRRBVXKJG-KRWDZBQOSA-N 0 1 310.397 3.816 20 30 DHEDMN CN(Cc1cc(Br)ccc1F)[C@H]1CC[C@@H](C#N)C1 ZINC000278727387 334100471 /nfs/dbraw/zinc/10/04/71/334100471.db2.gz VNJIHIGPZDKIMY-MFKMUULPSA-N 0 1 311.198 3.712 20 30 DHEDMN Cc1nc([C@@H]2CCCCN2Cc2ccccc2C(C)(C)C#N)n[nH]1 ZINC000366604602 334126881 /nfs/dbraw/zinc/12/68/81/334126881.db2.gz UOETWNYAHLFIDL-KRWDZBQOSA-N 0 1 323.444 3.642 20 30 DHEDMN CC[C@@](C)(C#N)C(=O)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000285892387 334150519 /nfs/dbraw/zinc/15/05/19/334150519.db2.gz XOGJTNYUUUDUHA-KUHUBIRLSA-N 0 1 324.428 3.517 20 30 DHEDMN N#CCOc1ccc(CN[C@@H](c2ncc[nH]2)C2CCCCC2)cc1 ZINC000286080042 334151170 /nfs/dbraw/zinc/15/11/70/334151170.db2.gz MGPWPKZNVLWZCH-GOSISDBHSA-N 0 1 324.428 3.723 20 30 DHEDMN CC[N@H+](Cc1cc(Br)ccc1[O-])[C@@H]1CC[C@H](C#N)C1 ZINC000292705513 334191222 /nfs/dbraw/zinc/19/12/22/334191222.db2.gz DOCJZAJZGPWUMM-SMDDNHRTSA-N 0 1 323.234 3.669 20 30 DHEDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])[C@@H]1CC[C@H](C#N)C1 ZINC000292705513 334191223 /nfs/dbraw/zinc/19/12/23/334191223.db2.gz DOCJZAJZGPWUMM-SMDDNHRTSA-N 0 1 323.234 3.669 20 30 DHEDMN C[C@H](NCCOCCC#N)c1cc(F)c(Cl)cc1Cl ZINC000293744166 334201751 /nfs/dbraw/zinc/20/17/51/334201751.db2.gz IARBWDAAZAMOBY-VIFPVBQESA-N 0 1 305.180 3.713 20 30 DHEDMN Cc1csc(C(C#N)C(=O)c2csc3c2CCCC3)n1 ZINC000041521151 334333836 /nfs/dbraw/zinc/33/38/36/334333836.db2.gz BMLARZYEMZXWTR-NSHDSACASA-N 0 1 302.424 3.882 20 30 DHEDMN Cc1csc([C@@H](C#N)C(=O)c2csc3c2CCCC3)n1 ZINC000041521151 334333837 /nfs/dbraw/zinc/33/38/37/334333837.db2.gz BMLARZYEMZXWTR-NSHDSACASA-N 0 1 302.424 3.882 20 30 DHEDMN C=CCc1cc(CN2CCC[C@H]2c2ccccn2)cc(OC)c1O ZINC000535067667 334363048 /nfs/dbraw/zinc/36/30/48/334363048.db2.gz WCBZEXODLAKSMR-SFHVURJKSA-N 0 1 324.424 3.861 20 30 DHEDMN C=CCc1cc(CN2CCC[C@@H]2c2ccccn2)cc(OC)c1O ZINC000535067652 334363057 /nfs/dbraw/zinc/36/30/57/334363057.db2.gz WCBZEXODLAKSMR-GOSISDBHSA-N 0 1 324.424 3.861 20 30 DHEDMN N#CCc1ccc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000343624272 335182698 /nfs/dbraw/zinc/18/26/98/335182698.db2.gz YQSYNBGSASUQMZ-UHFFFAOYSA-N 0 1 321.380 3.825 20 30 DHEDMN N#CCc1ccc(CN2CC(c3nc4ccccc4s3)C2)cc1 ZINC000343770632 335191767 /nfs/dbraw/zinc/19/17/67/335191767.db2.gz QSIVLOHARGQXQS-UHFFFAOYSA-N 0 1 319.433 3.962 20 30 DHEDMN Cc1ccc(C=Cc2n[nH]c(SCCC(C)(C)C#N)n2)o1 ZINC000343811367 335194658 /nfs/dbraw/zinc/19/46/58/335194658.db2.gz HTPKRJXMJWFTJA-SREVYHEPSA-N 0 1 302.403 3.909 20 30 DHEDMN N#Cc1csc(CN[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1 ZINC000343813148 335194895 /nfs/dbraw/zinc/19/48/95/335194895.db2.gz TWMQSHBPPTXDQS-IRXDYDNUSA-N 0 1 316.401 3.769 20 30 DHEDMN Cn1nccc1[C@@H]1CCCCN1Cc1ccccc1C(C)(C)C#N ZINC000366867162 335250868 /nfs/dbraw/zinc/25/08/68/335250868.db2.gz ITQVYTIYCVMRIB-IBGZPJMESA-N 0 1 322.456 3.948 20 30 DHEDMN Cc1csc(C(C#N)C(=O)c2ccc(OC(C)(C)C)cn2)n1 ZINC000344630542 335265171 /nfs/dbraw/zinc/26/51/71/335265171.db2.gz IFXULFKPWKWMRZ-LBPRGKRZSA-N 0 1 315.398 3.514 20 30 DHEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(C)c(F)c3)[nH]c21 ZINC000345400737 335323329 /nfs/dbraw/zinc/32/33/29/335323329.db2.gz QGJREUVSNPFDDP-ZDUSSCGKSA-N 0 1 307.328 3.809 20 30 DHEDMN C=C[C@@](C)(CC)C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C ZINC000345568419 335335291 /nfs/dbraw/zinc/33/52/91/335335291.db2.gz MVOMNYNHKGCBMK-YJBOKZPZSA-N 0 1 302.418 3.613 20 30 DHEDMN COc1cc(CN[C@@H]2CCOc3c(C)cc(C)cc32)ccc1C#N ZINC000366919123 335358279 /nfs/dbraw/zinc/35/82/79/335358279.db2.gz BNTVVKMFCKUROS-GOSISDBHSA-N 0 1 322.408 3.797 20 30 DHEDMN CC[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1c(C)nn(C)c1C ZINC000346150511 335382188 /nfs/dbraw/zinc/38/21/88/335382188.db2.gz YKBAMXOGJIAKIH-GTNSWQLSSA-N 0 1 314.408 3.850 20 30 DHEDMN CC[C@H](C)Oc1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1 ZINC000190989937 335383547 /nfs/dbraw/zinc/38/35/47/335383547.db2.gz OSCWBZKUMZLTLX-LBPRGKRZSA-N 0 1 310.353 3.693 20 30 DHEDMN C=CC(C)(C)C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000520502185 335983447 /nfs/dbraw/zinc/98/34/47/335983447.db2.gz FEFKYNLTZVMOMB-INIZCTEOSA-N 0 1 320.864 3.805 20 30 DHEDMN Cc1cnn([C@@H]2CCN(C([O-])=[NH+]C3CCC(C(C)C)CC3)C2)c1 ZINC000329621681 336014646 /nfs/dbraw/zinc/01/46/46/336014646.db2.gz RQEXAMFNMYDDGO-OFLPRAFFSA-N 0 1 318.465 3.567 20 30 DHEDMN Cc1ccc(-c2ccnn2C)cc1NC(=O)[C@@H]1CCCN1C1CC1 ZINC000329823069 336086339 /nfs/dbraw/zinc/08/63/39/336086339.db2.gz HJOYFKTZNVBHFZ-SFHVURJKSA-N 0 1 324.428 3.610 20 30 DHEDMN C[C@@H](Cn1ccnc1)[NH+]=C([O-])N1CCCC2(CCCCC2)CC1 ZINC000329864794 336090346 /nfs/dbraw/zinc/09/03/46/336090346.db2.gz SWHIALIFMJRYFZ-INIZCTEOSA-N 0 1 318.465 3.622 20 30 DHEDMN Cc1nc(CC(C)C)oc1C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000330009006 336105538 /nfs/dbraw/zinc/10/55/38/336105538.db2.gz HCAVUTUCJVYZLM-AWEZNQCLSA-N 0 1 319.449 3.503 20 30 DHEDMN O=C(N[C@H]1CCCc2cn[nH]c21)N1CC2(CCC2)c2ccccc21 ZINC000330052230 336109405 /nfs/dbraw/zinc/10/94/05/336109405.db2.gz OTAPEJFPHHTGIE-HNNXBMFYSA-N 0 1 322.412 3.643 20 30 DHEDMN O=C(CCNC(=O)C1CCCCC1)N[C@@H]1CCCc2cn[nH]c21 ZINC000330150979 336118375 /nfs/dbraw/zinc/11/83/75/336118375.db2.gz LFZLXVDYIKXSPA-CQSZACIVSA-N 0 1 318.421 3.671 20 30 DHEDMN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCCC2(CCCC2)C1 ZINC000333753112 336209462 /nfs/dbraw/zinc/20/94/62/336209462.db2.gz TZRQITJJWCCGNX-HNNXBMFYSA-N 0 1 311.429 3.541 20 30 DHEDMN C=CCC(CC=C)C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000532325885 336240091 /nfs/dbraw/zinc/24/00/91/336240091.db2.gz MKTOOULACAOWOJ-QGZVFWFLSA-N 0 1 320.864 3.827 20 30 DHEDMN Cc1ccc(-c2cc(C(=O)N(CCC#N)CCC(C)C)n[nH]2)cc1 ZINC000103440429 336240711 /nfs/dbraw/zinc/24/07/11/336240711.db2.gz FYRBZRCLXRDHHC-UHFFFAOYSA-N 0 1 324.428 3.787 20 30 DHEDMN CCN(CCC(=O)Nc1cccc2ccccc21)C[C@@H](C)C#N ZINC000103469606 336241100 /nfs/dbraw/zinc/24/11/00/336241100.db2.gz RQOCZRKJIJQCCO-HNNXBMFYSA-N 0 1 309.413 3.650 20 30 DHEDMN COc1ccc(C[N@@H+](CCc2ccc(F)cc2)C2CC2)cc1C#N ZINC000532745850 336269328 /nfs/dbraw/zinc/26/93/28/336269328.db2.gz KIBWNAOYGUZKKJ-UHFFFAOYSA-N 0 1 324.399 3.913 20 30 DHEDMN N#Cc1ccc(CNCc2cccc(O)c2)c(C(F)(F)F)c1 ZINC000352836676 336272730 /nfs/dbraw/zinc/27/27/30/336272730.db2.gz WHYYSDFNPQUSIH-UHFFFAOYSA-N 0 1 306.287 3.572 20 30 DHEDMN COc1ccccc1CNCc1ccc(C#N)cc1C(F)(F)F ZINC000352840857 336274698 /nfs/dbraw/zinc/27/46/98/336274698.db2.gz PBJLQUXJUBDITR-UHFFFAOYSA-N 0 1 320.314 3.875 20 30 DHEDMN CN1CC[C@H](Nc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000301866401 336335132 /nfs/dbraw/zinc/33/51/32/336335132.db2.gz DKSVLQLWNJDARH-ZWKOTPCHSA-N 0 1 313.351 3.694 20 30 DHEDMN N#Cc1csc(CNCCCCc2ccc(Cl)s2)n1 ZINC000352904630 336375726 /nfs/dbraw/zinc/37/57/26/336375726.db2.gz UHJKZVKEIMFNTQ-UHFFFAOYSA-N 0 1 311.863 3.842 20 30 DHEDMN N#Cc1csc(CNC2CC(c3ccc(F)c(Cl)c3)C2)n1 ZINC000352909133 336376440 /nfs/dbraw/zinc/37/64/40/336376440.db2.gz YIGZZEWWSHWQTC-UHFFFAOYSA-N 0 1 321.808 3.843 20 30 DHEDMN C=CCOc1ccc(CNCc2ccc(-c3cc[nH]n3)o2)cc1 ZINC000352957956 336379320 /nfs/dbraw/zinc/37/93/20/336379320.db2.gz WJTZJUMXEQKIHC-UHFFFAOYSA-N 0 1 309.369 3.524 20 30 DHEDMN COc1cc(CN[C@H](C)c2ccc3ccccc3n2)ccc1C#N ZINC000353611375 336428777 /nfs/dbraw/zinc/42/87/77/336428777.db2.gz OQYBYXFEKLCXQY-CQSZACIVSA-N 0 1 317.392 3.966 20 30 DHEDMN N#C[C@H]1CC[C@@H](NCc2cc(F)c(F)cc2Br)C1 ZINC000353950470 336450864 /nfs/dbraw/zinc/45/08/64/336450864.db2.gz BWSRLPGHQPYGKH-WCBMZHEXSA-N 0 1 315.161 3.509 20 30 DHEDMN CC1(C#N)CCN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000356963442 336567481 /nfs/dbraw/zinc/56/74/81/336567481.db2.gz WAPMNAJRWZZQEL-UHFFFAOYSA-N 0 1 314.820 3.856 20 30 DHEDMN C=CCCC1(C(=O)Nc2cccc3c2OCC[C@H]3N(C)C)CC1 ZINC000357167218 336575673 /nfs/dbraw/zinc/57/56/73/336575673.db2.gz LPSHNSLKLYXUOX-MRXNPFEDSA-N 0 1 314.429 3.757 20 30 DHEDMN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1nc(-c2ccncc2)cs1 ZINC000361436101 336756648 /nfs/dbraw/zinc/75/66/48/336756648.db2.gz RPKZKHHTLAXUGL-GZBFAFLISA-N 0 1 312.442 3.938 20 30 DHEDMN C[C@H](C#N)Oc1ccc(CN[C@@H]2c3ccccc3O[C@@H]2C)cc1 ZINC000367393008 336785822 /nfs/dbraw/zinc/78/58/22/336785822.db2.gz XRMOXXIUNLIZCE-LPMFXHHGSA-N 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C[C@@H]1CCCN(CCCC(C)(C)C#N)[C@@H]1C(=O)OC(C)(C)C ZINC000425521614 1012727009 /nfs/dbraw/zinc/72/70/09/1012727009.db2.gz KKDFFNAPYSUNMO-CABCVRRESA-N 0 1 308.466 3.759 20 30 DHEDMN COCC#CCN(Cc1ccc(Cl)c(Cl)c1)C(C)C ZINC001167085747 1012760429 /nfs/dbraw/zinc/76/04/29/1012760429.db2.gz UQDBULGGAMRAAG-UHFFFAOYSA-N 0 1 300.229 3.854 20 30 DHEDMN C=CCN(CC=C)C(=O)CN(CC)Cc1ccc2ccccc2c1 ZINC000516744874 1012827899 /nfs/dbraw/zinc/82/78/99/1012827899.db2.gz FYNHSBXCCBIZJA-UHFFFAOYSA-N 0 1 322.452 3.862 20 30 DHEDMN C=C(Br)CN[C@@H](C)c1cccc(OC(F)F)c1 ZINC000125075233 1032674260 /nfs/dbraw/zinc/67/42/60/1032674260.db2.gz BNOSNRFBXMQUGC-VIFPVBQESA-N 0 1 306.150 3.847 20 30 DHEDMN CCCCCCCCCN(C)CN1CC2(CC1=O)CCOCC2 ZINC000176731785 1017150332 /nfs/dbraw/zinc/15/03/32/1017150332.db2.gz GGCZIVLYLOXZLR-UHFFFAOYSA-N 0 1 324.509 3.655 20 30 DHEDMN C#CCCCC(=O)Nc1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC000760533344 1032682790 /nfs/dbraw/zinc/68/27/90/1032682790.db2.gz XSOOUBYAWCIRDL-UHFFFAOYSA-N 0 1 303.365 3.972 20 30 DHEDMN N#Cc1ccc(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)s1 ZINC000340334627 1017187507 /nfs/dbraw/zinc/18/75/07/1017187507.db2.gz MBQICLCQTHSTKV-UHFFFAOYSA-N 0 1 318.308 3.686 20 30 DHEDMN N#Cc1ccc(Cl)cc1NCCN1CCc2ccccc2C1 ZINC000609891239 1017364794 /nfs/dbraw/zinc/36/47/94/1017364794.db2.gz UGERLOMUGFYAFN-UHFFFAOYSA-N 0 1 311.816 3.682 20 30 DHEDMN N#Cc1cccc(CNc2ccccc2CN2CCSCC2)c1 ZINC000125191112 1032696160 /nfs/dbraw/zinc/69/61/60/1032696160.db2.gz UIPVFIUJMSRYLJ-UHFFFAOYSA-N 0 1 323.465 3.719 20 30 DHEDMN C=CCCNCc1csc(N(C(C)=O)c2ccc(F)cc2)n1 ZINC000657582870 1017490343 /nfs/dbraw/zinc/49/03/43/1017490343.db2.gz KNTCOCICDYHVOE-UHFFFAOYSA-N 0 1 319.405 3.633 20 30 DHEDMN CNC(=O)c1cccc(N=Cc2cc(Cl)cc(Cl)c2O)c1 ZINC000255539884 1017491414 /nfs/dbraw/zinc/49/14/14/1017491414.db2.gz NBMYZIJIOPCHTK-UHFFFAOYSA-N 0 1 323.179 3.809 20 30 DHEDMN CCCCOc1ccc(CN2CCC(C#N)(COC)CC2)cc1 ZINC000342833914 1017535294 /nfs/dbraw/zinc/53/52/94/1017535294.db2.gz CGKVYGXOJQUWSD-UHFFFAOYSA-N 0 1 316.445 3.618 20 30 DHEDMN C=C(Br)CN[C@H](C)c1ccc(OC(F)F)cc1 ZINC000125132479 1032712443 /nfs/dbraw/zinc/71/24/43/1032712443.db2.gz LRMOYTREJDDJMU-SECBINFHSA-N 0 1 306.150 3.847 20 30 DHEDMN C=C(C)COc1cc(CN[C@@H](C)c2cccnc2)ccc1OC ZINC000195322119 1017687383 /nfs/dbraw/zinc/68/73/83/1017687383.db2.gz GJXGCWUQSQRWMU-HNNXBMFYSA-N 0 1 312.413 3.896 20 30 DHEDMN C=CCCCCCN(C)Cc1nnc(-c2ccc(OC)cc2)o1 ZINC000523551698 1017728459 /nfs/dbraw/zinc/72/84/59/1017728459.db2.gz BCWDHEOHYUEMRK-UHFFFAOYSA-N 0 1 315.417 3.923 20 30 DHEDMN C=CC[C@@H]1CCN(Cc2nc(-c3ccc(OCC)cc3)no2)C1 ZINC000625702162 1017778853 /nfs/dbraw/zinc/77/88/53/1017778853.db2.gz DNJDLRARMRBQNC-CQSZACIVSA-N 0 1 313.401 3.533 20 30 DHEDMN C=CC[C@H]1CCN(CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000625704537 1017782441 /nfs/dbraw/zinc/78/24/41/1017782441.db2.gz VADMFTAJHAZOPG-LBPRGKRZSA-N 0 1 312.335 3.542 20 30 DHEDMN C=CC[C@@H]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000625702836 1017782895 /nfs/dbraw/zinc/78/28/95/1017782895.db2.gz JDJSZCXOUHATKI-MRXNPFEDSA-N 0 1 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ZINC000789320602 1024049451 /nfs/dbraw/zinc/04/94/51/1024049451.db2.gz LKIIWQOXXPTLFO-GOSISDBHSA-N 0 1 312.457 3.615 20 30 DHEDMN C=CCO[C@H]1CCN([C@@H](C)c2ccc(Br)cc2)C1 ZINC001320037071 1024058303 /nfs/dbraw/zinc/05/83/03/1024058303.db2.gz BFSXPBSJTWACEH-WFASDCNBSA-N 0 1 310.235 3.787 20 30 DHEDMN N#Cc1cccc(CNCc2ccnc(OC3CCCCC3)c2)c1 ZINC000129757203 1024074680 /nfs/dbraw/zinc/07/46/80/1024074680.db2.gz FMTOZJIUFRRCAE-UHFFFAOYSA-N 0 1 321.424 3.955 20 30 DHEDMN C#CCn1ccc(CN(CC)CCc2ccc(C(C)C)cc2)n1 ZINC000789759154 1024157810 /nfs/dbraw/zinc/15/78/10/1024157810.db2.gz PETAVXJZWRLIBI-UHFFFAOYSA-N 0 1 309.457 3.704 20 30 DHEDMN FC(F)(F)c1ccc(NN=Cc2ccsc2Cl)nn1 ZINC000790171082 1024233730 /nfs/dbraw/zinc/23/37/30/1024233730.db2.gz FEZKCRRXISBQKJ-UHFFFAOYSA-N 0 1 306.700 3.656 20 30 DHEDMN COc1cccc(CN=Nc2cc(C(F)(F)F)ccc2F)n1 ZINC000790171887 1024235058 /nfs/dbraw/zinc/23/50/58/1024235058.db2.gz IZTXIDKFAXWDOO-UHFFFAOYSA-N 0 1 313.254 3.694 20 30 DHEDMN C[C@H](CCCC#N)NC1(c2cccc(C(F)(F)F)c2)COC1 ZINC001172483308 1033195317 /nfs/dbraw/zinc/19/53/17/1033195317.db2.gz OWSMYLXANJAQKM-GFCCVEGCSA-N 0 1 312.335 3.603 20 30 DHEDMN CCOc1cc(CN=Nc2ncccc2C)ccc1OC(F)F ZINC000790189602 1024239612 /nfs/dbraw/zinc/23/96/12/1024239612.db2.gz AYQCHZAKKPJUKX-UHFFFAOYSA-N 0 1 321.327 3.836 20 30 DHEDMN CC(=NNc1cc(Cl)cc(Cl)c1)c1csc(N)n1 ZINC000790201544 1024242412 /nfs/dbraw/zinc/24/24/12/1024242412.db2.gz GPURWCJRSCIJHL-UHFFFAOYSA-N 0 1 301.202 3.868 20 30 DHEDMN Cn1ccnc1N=NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000790302547 1024278870 /nfs/dbraw/zinc/27/88/70/1024278870.db2.gz UPUFZJQMRPNXHA-UHFFFAOYSA-N 0 1 324.359 3.584 20 30 DHEDMN CC(=[NH+][N-]c1cccc(F)c1[N+](=O)[O-])c1ccccc1N(C)C ZINC000790308530 1024279924 /nfs/dbraw/zinc/27/99/24/1024279924.db2.gz HELYQCLDMVKJFF-UHFFFAOYSA-N 0 1 316.336 3.636 20 30 DHEDMN CC(C)(C)c1ncc(C=NNc2cccc(F)c2[N+](=O)[O-])s1 ZINC000790307520 1024281315 /nfs/dbraw/zinc/28/13/15/1024281315.db2.gz YLABPVJRTGUJNU-UHFFFAOYSA-N 0 1 322.365 3.934 20 30 DHEDMN C=CCC[C@H](COc1ccccc1)N[C@H](C)c1nnc(C)s1 ZINC000883216138 1024294026 /nfs/dbraw/zinc/29/40/26/1024294026.db2.gz LOGFXXBRBZZGCO-UKRRQHHQSA-N 0 1 317.458 3.911 20 30 DHEDMN O=C(/C=C/c1ccnn1-c1ccccc1)c1ccc(O)c(F)c1 ZINC000790599732 1024333983 /nfs/dbraw/zinc/33/39/83/1024333983.db2.gz CHRZDAHQSHIUOX-VQHVLOKHSA-N 0 1 308.312 3.613 20 30 DHEDMN N#C[C@@H](Cc1ccccc1)Sc1nc(-c2ccccc2)n[nH]1 ZINC000604036037 1024371105 /nfs/dbraw/zinc/37/11/05/1024371105.db2.gz PNOAGEPDPBNWIW-OAHLLOKOSA-N 0 1 306.394 3.699 20 30 DHEDMN Cc1cccc(NC(=O)C(C#N)C(=O)C2CCC(C)(C)CC2)c1 ZINC000131984893 1024444363 /nfs/dbraw/zinc/44/43/63/1024444363.db2.gz AVHVEPHXELTJKZ-INIZCTEOSA-N 0 1 312.413 3.859 20 30 DHEDMN C[N@H+]1CC[C@@H](Nc2snc(Cl)c2C#N)[C@H]1c1ccccc1 ZINC000271312100 1024485778 /nfs/dbraw/zinc/48/57/78/1024485778.db2.gz IVGCSKIUPLVNQZ-CHWSQXEVSA-N 0 1 318.833 3.525 20 30 DHEDMN CN1CC[C@@H](Nc2snc(Cl)c2C#N)[C@H]1c1ccccc1 ZINC000271312100 1024485780 /nfs/dbraw/zinc/48/57/80/1024485780.db2.gz IVGCSKIUPLVNQZ-CHWSQXEVSA-N 0 1 318.833 3.525 20 30 DHEDMN Cc1c([C@H](C)NCc2ccc(C#N)c(F)c2)cnn1C(C)C ZINC000453388738 1024486593 /nfs/dbraw/zinc/48/65/93/1024486593.db2.gz QWTFAJRVTGZOGZ-LBPRGKRZSA-N 0 1 300.381 3.634 20 30 DHEDMN C=C(Br)CN[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000166501818 1024499774 /nfs/dbraw/zinc/49/97/74/1024499774.db2.gz WEXIXVHNIZIQGP-HIFRSBDPSA-N 0 1 310.235 3.653 20 30 DHEDMN C=C(C)CN(CC[S@@](=O)c1ccccc1)Cc1ccccc1 ZINC000348242533 1024533528 /nfs/dbraw/zinc/53/35/28/1024533528.db2.gz RNMHKFPEVDOOPX-JOCHJYFZSA-N 0 1 313.466 3.873 20 30 DHEDMN C=C(C)COc1cc(CNCc2cnc(C)s2)ccc1OC ZINC000105448551 1024585743 /nfs/dbraw/zinc/58/57/43/1024585743.db2.gz MMBHJEQXSQQABG-UHFFFAOYSA-N 0 1 318.442 3.705 20 30 DHEDMN N#CC(C(=O)Cc1ccc(F)c(F)c1)c1nccc2ccccc21 ZINC000792096754 1024631151 /nfs/dbraw/zinc/63/11/51/1024631151.db2.gz QSNGXRKDJNVBRB-OAHLLOKOSA-N 0 1 322.314 3.932 20 30 DHEDMN C[C@@H](CCCC#N)N1CCCC[C@H]1C(=O)OCc1ccccc1 ZINC001172493603 1033225531 /nfs/dbraw/zinc/22/55/31/1033225531.db2.gz NAGHOHLXWYHONL-WMZOPIPTSA-N 0 1 314.429 3.667 20 30 DHEDMN C[C@H](CCCC#N)N1CC2(C1)CCCCN2C(=O)OC(C)(C)C ZINC001172499410 1033228591 /nfs/dbraw/zinc/22/85/91/1033228591.db2.gz DANLOMLMCKUCDR-OAHLLOKOSA-N 0 1 321.465 3.544 20 30 DHEDMN CCc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000127450705 1024666803 /nfs/dbraw/zinc/66/68/03/1024666803.db2.gz ZYGWSIUTDPTCDJ-LSDHHAIUSA-N 0 1 321.424 3.798 20 30 DHEDMN N#Cc1ccc(CNCc2ccc(OCC3CC3)cc2)c(F)c1 ZINC000190970913 1024723552 /nfs/dbraw/zinc/72/35/52/1024723552.db2.gz IGHSLTKMZCYGNV-UHFFFAOYSA-N 0 1 310.372 3.776 20 30 DHEDMN O=C1c2ccsc2CC/C1=C\c1cc(O)ccc1[N+](=O)[O-] ZINC000772808667 1024737130 /nfs/dbraw/zinc/73/71/30/1024737130.db2.gz VMWPEIHYIKNWML-VQHVLOKHSA-N 0 1 301.323 3.574 20 30 DHEDMN C#C[C@@](C)(CC)NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001307781575 1024763260 /nfs/dbraw/zinc/76/32/60/1024763260.db2.gz KBRLWDXOMRPLCL-ZDUSSCGKSA-N 0 1 301.173 3.793 20 30 DHEDMN CCOC(=O)CN([C@H](C)c1ccccc1)[C@@H](C)CCCC#N ZINC001172508991 1033237627 /nfs/dbraw/zinc/23/76/27/1033237627.db2.gz ITRLNRNRXMYKGM-JKSUJKDBSA-N 0 1 302.418 3.695 20 30 DHEDMN Fc1cc(C=NNc2ncnc3sccc32)c2ncccc2c1 ZINC000760241628 1024794087 /nfs/dbraw/zinc/79/40/87/1024794087.db2.gz NGTQXUIGYJPJST-UHFFFAOYSA-N 0 1 323.356 3.825 20 30 DHEDMN CCN(CC(=O)c1cn(CCC#N)c2ccccc12)C1CCC1 ZINC000350126177 1024794562 /nfs/dbraw/zinc/79/45/62/1024794562.db2.gz PNJRRBFEOWYCIY-UHFFFAOYSA-N 0 1 309.413 3.612 20 30 DHEDMN CC[C@H](C)n1nc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cc1C ZINC000350915679 1024863598 /nfs/dbraw/zinc/86/35/98/1024863598.db2.gz AXIASOFLPQTGBO-AAEUAGOBSA-N 0 1 321.384 3.529 20 30 DHEDMN CC[C@H](C)n1nc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)cc1C ZINC000350915679 1024863609 /nfs/dbraw/zinc/86/36/09/1024863609.db2.gz AXIASOFLPQTGBO-AAEUAGOBSA-N 0 1 321.384 3.529 20 30 DHEDMN CCOC1(C(=O)[C@H](C#N)c2nc3ccccc3s2)CCCC1 ZINC000793119986 1024892254 /nfs/dbraw/zinc/89/22/54/1024892254.db2.gz QXYBGWHAFJEAKY-LBPRGKRZSA-N 0 1 314.410 3.822 20 30 DHEDMN Clc1cccc(NN=Cc2c[nH]nc2-c2ccsc2)n1 ZINC000793163606 1024906158 /nfs/dbraw/zinc/90/61/58/1024906158.db2.gz LZQUQSJEOASGIM-UHFFFAOYSA-N 0 1 303.778 3.633 20 30 DHEDMN Cn1cc(-c2ccc(C=NNc3cccc(Cl)n3)s2)cn1 ZINC000793176158 1024925055 /nfs/dbraw/zinc/92/50/55/1024925055.db2.gz ZIDIZNVTOISMCZ-UHFFFAOYSA-N 0 1 317.805 3.643 20 30 DHEDMN C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)cc1 ZINC000793231830 1024944864 /nfs/dbraw/zinc/94/48/64/1024944864.db2.gz RBYAPYRGAVWYPP-JMSVASOKSA-N 0 1 312.335 3.750 20 30 DHEDMN C=CCCn1cc(CN(CC)C[C@H](CC)c2ccccc2)nn1 ZINC000653622473 1025059268 /nfs/dbraw/zinc/05/92/68/1025059268.db2.gz FPEBJTMTWQVLGE-KRWDZBQOSA-N 0 1 312.461 3.870 20 30 DHEDMN C=CCOc1cccc(CNCc2cnn(CC3CCC3)c2)c1 ZINC000897434781 1025085528 /nfs/dbraw/zinc/08/55/28/1025085528.db2.gz AWMWEVWIJPGONM-UHFFFAOYSA-N 0 1 311.429 3.538 20 30 DHEDMN CC(C)(C)Oc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cn1 ZINC000353658290 1025184089 /nfs/dbraw/zinc/18/40/89/1025184089.db2.gz KVCBNYUHAKFJQF-GOSISDBHSA-N 0 1 321.424 3.908 20 30 DHEDMN COc1ccc(C#N)cc1C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000610964758 1025260340 /nfs/dbraw/zinc/26/03/40/1025260340.db2.gz CGTLDVGIGIVINA-IBGZPJMESA-N 0 1 324.449 3.857 20 30 DHEDMN COc1ccc(C#N)cc1CN1CCS[C@H](c2ccccc2)C1 ZINC000610964758 1025260347 /nfs/dbraw/zinc/26/03/47/1025260347.db2.gz CGTLDVGIGIVINA-IBGZPJMESA-N 0 1 324.449 3.857 20 30 DHEDMN C=CCOc1ccc(CN2CCS[C@H](CC)C2)cc1OC ZINC000353884825 1025279433 /nfs/dbraw/zinc/27/94/33/1025279433.db2.gz YCDAOWHAFUXETP-OAHLLOKOSA-N 0 1 307.459 3.587 20 30 DHEDMN COc1c(O)cccc1CN[C@@H](CCCC#N)c1ccccc1 ZINC000353912124 1025288078 /nfs/dbraw/zinc/28/80/78/1025288078.db2.gz DJGCUENILSWEFH-KRWDZBQOSA-N 0 1 310.397 3.926 20 30 DHEDMN C=C(Cl)CN[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000135836253 1025290243 /nfs/dbraw/zinc/29/02/43/1025290243.db2.gz WKUPFBRFSCDAKB-VIFPVBQESA-N 0 1 304.615 3.861 20 30 DHEDMN COC(=O)c1ccc(CN[C@@H](CCCC#N)c2ccccc2)o1 ZINC000353916931 1025292060 /nfs/dbraw/zinc/29/20/60/1025292060.db2.gz RYZMPJSTVXEGCN-INIZCTEOSA-N 0 1 312.369 3.591 20 30 DHEDMN Cc1ccc(-c2cc(C(=O)N3CCCC(C)(C)[C@H]3C#N)n[nH]2)cc1 ZINC000408401027 1025364435 /nfs/dbraw/zinc/36/44/35/1025364435.db2.gz ZWJTUEYNMGOMCF-QGZVFWFLSA-N 0 1 322.412 3.540 20 30 DHEDMN COc1ccc(CN[C@H](C)c2ccc(C#N)cc2)c(F)c1OC ZINC000885917593 1025403432 /nfs/dbraw/zinc/40/34/32/1025403432.db2.gz NPQDDVVOIWUDCR-GFCCVEGCSA-N 0 1 314.360 3.565 20 30 DHEDMN CCN(Cc1ccccc1Cl)C[C@@H](O)CC1(C#N)CCC1 ZINC000885951445 1025416731 /nfs/dbraw/zinc/41/67/31/1025416731.db2.gz IQRFXBNJDINZKQ-HNNXBMFYSA-N 0 1 306.837 3.607 20 30 DHEDMN CC(C)c1cc(C(=O)C(C#N)c2ccncn2)c2ccccc2n1 ZINC000354394863 1025420051 /nfs/dbraw/zinc/42/00/51/1025420051.db2.gz DFCGJJKIIFZGEE-OAHLLOKOSA-N 0 1 316.364 3.638 20 30 DHEDMN CC(C)c1cc(C(=O)[C@H](C#N)c2ccncn2)c2ccccc2n1 ZINC000354394863 1025420055 /nfs/dbraw/zinc/42/00/55/1025420055.db2.gz DFCGJJKIIFZGEE-OAHLLOKOSA-N 0 1 316.364 3.638 20 30 DHEDMN N#CC1(C[C@H](O)CN2CC[C@H]2c2ccc(Cl)cc2)CCC1 ZINC000886032979 1025446240 /nfs/dbraw/zinc/44/62/40/1025446240.db2.gz QCHJZAMBXACOSN-HOTGVXAUSA-N 0 1 304.821 3.532 20 30 DHEDMN C#CC[C@H](NCc1cc(C)cc(OC)c1OC)c1ccccc1 ZINC000886049481 1025452796 /nfs/dbraw/zinc/45/27/96/1025452796.db2.gz NEOUKMAWHFVFKH-SFHVURJKSA-N 0 1 309.409 3.866 20 30 DHEDMN C[C@@H](NC[C@@H](O)CC1(C#N)CCC1)c1c(F)cccc1Cl ZINC000886112347 1025511810 /nfs/dbraw/zinc/51/18/10/1025511810.db2.gz VSCXHVPEKADHJO-NEPJUHHUSA-N 0 1 310.800 3.575 20 30 DHEDMN C#CC[C@H]1CCN(Cc2csc(-c3cccc(OC)c3)n2)C1 ZINC000886353884 1025598390 /nfs/dbraw/zinc/59/83/90/1025598390.db2.gz RQFPKYATNRBZJT-AWEZNQCLSA-N 0 1 312.438 3.664 20 30 DHEDMN CC(C)c1csc(C(C#N)C(=O)c2ccc3c(c2)ncn3C)n1 ZINC000355152882 1025615771 /nfs/dbraw/zinc/61/57/71/1025615771.db2.gz UICFUNAXWVBESA-LBPRGKRZSA-N 0 1 324.409 3.643 20 30 DHEDMN C=CCCC1(C(=O)NC[C@H](c2ccco2)N(CC)CC)CC1 ZINC000355317298 1025676046 /nfs/dbraw/zinc/67/60/46/1025676046.db2.gz 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ZINC000929162324 1031452065 /nfs/dbraw/zinc/45/20/65/1031452065.db2.gz YVHYSFPPTCGHNP-UHFFFAOYSA-N 0 1 316.408 3.814 20 30 DHEDMN CC[C@H](c1ccc(F)cc1)N1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000872095065 1031490450 /nfs/dbraw/zinc/49/04/50/1031490450.db2.gz KURIHGVPUJVKMM-ATZDWAIDSA-N 0 1 315.436 3.587 20 30 DHEDMN N#Cc1cc(CN2CCC[C@@]3(C2)OCc2ccccc23)ccc1F ZINC000360677195 1031519539 /nfs/dbraw/zinc/51/95/39/1031519539.db2.gz WNHFEYZIPIWZRV-FQEVSTJZSA-N 0 1 322.383 3.719 20 30 DHEDMN N#CC1(c2ccccc2)CCC(Nc2ccc3nn[nH]c3c2)CC1 ZINC000537321253 1031570784 /nfs/dbraw/zinc/57/07/84/1031570784.db2.gz QOULDDSRZRBLEG-UHFFFAOYSA-N 0 1 317.396 3.774 20 30 DHEDMN N#CC1(c2ccccc2)CCC(Nc2ccc3n[nH]nc3c2)CC1 ZINC000537321253 1031570797 /nfs/dbraw/zinc/57/07/97/1031570797.db2.gz QOULDDSRZRBLEG-UHFFFAOYSA-N 0 1 317.396 3.774 20 30 DHEDMN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2C[C@H]2C2CCCC2)cc1 ZINC000845441687 1031586378 /nfs/dbraw/zinc/58/63/78/1031586378.db2.gz HAMLKSYIYAJSCC-RCCFBDPRSA-N 0 1 324.424 3.723 20 30 DHEDMN CC(C)Oc1cc(NC(=N)c2ccc3cc(O)ccc3c2)ccn1 ZINC001171184603 1031593934 /nfs/dbraw/zinc/59/39/34/1031593934.db2.gz NJGHZBUVOBNFHO-UHFFFAOYSA-N 0 1 321.380 3.765 20 30 DHEDMN CCC(=NNc1cc(Cl)nc2c1c(C)nn2C)c1ccco1 ZINC000872422989 1031605777 /nfs/dbraw/zinc/60/57/77/1031605777.db2.gz XJUFVGBTLQCTNE-UHFFFAOYSA-N 0 1 317.780 3.749 20 30 DHEDMN Cc1cc(F)ncc1CN1CCC(c2ccc(C#N)cc2)CC1 ZINC000897588411 1031660807 /nfs/dbraw/zinc/66/08/07/1031660807.db2.gz AWPRVVCKRWGSPY-UHFFFAOYSA-N 0 1 309.388 3.780 20 30 DHEDMN N#Cc1ccc(C2CCN(Cc3ccnn3CC3CC3)CC2)cc1 ZINC000897589035 1031663078 /nfs/dbraw/zinc/66/30/78/1031663078.db2.gz QTMOBYURKJVAKG-UHFFFAOYSA-N 0 1 320.440 3.544 20 30 DHEDMN N#CC(C(=O)CCc1ccc(-c2ccccc2)o1)c1ccncn1 ZINC000760332530 1031670553 /nfs/dbraw/zinc/67/05/53/1031670553.db2.gz GTAKYWNBHKKSMJ-INIZCTEOSA-N 0 1 317.348 3.546 20 30 DHEDMN N#CC(C(=O)CCc1ccc(Cl)cc1Cl)c1ccncn1 ZINC000760340730 1031672489 /nfs/dbraw/zinc/67/24/89/1031672489.db2.gz NSRLYHHKJWJIGI-GFCCVEGCSA-N 0 1 320.179 3.592 20 30 DHEDMN N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)c1ccncn1 ZINC000760341121 1031672604 /nfs/dbraw/zinc/67/26/04/1031672604.db2.gz QWUKXYOREFUIJD-KSZLIROESA-N 0 1 313.360 3.610 20 30 DHEDMN N#C[C@@H](C(=O)Cc1ccc(-c2ccccc2)cc1)c1ccncn1 ZINC000760353560 1031675961 /nfs/dbraw/zinc/67/59/61/1031675961.db2.gz QNVZGCBRWGKIFE-GOSISDBHSA-N 0 1 313.360 3.563 20 30 DHEDMN C[C@@H](Cc1ccsc1)N1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000897596006 1031678934 /nfs/dbraw/zinc/67/89/34/1031678934.db2.gz KZGVYSPTKHYOJT-KSSFIOAISA-N 0 1 312.438 3.624 20 30 DHEDMN C[C@@H](C(=O)C(C#N)=C(O)C1(c2ccccc2)CC1)c1ccccc1 ZINC000845844118 1031727921 /nfs/dbraw/zinc/72/79/21/1031727921.db2.gz FRSYIXMYPTYYDI-CRAIPNDOSA-N 0 1 317.388 3.800 20 30 DHEDMN C[C@H]1CC[C@H](C(=O)C(C#N)=C(O)C2(c3ccccc3)CC2)CC1 ZINC000845844192 1031728051 /nfs/dbraw/zinc/72/80/51/1031728051.db2.gz PCETVLDWXXSMQL-BFYDXBDKSA-N 0 1 309.409 3.822 20 30 DHEDMN N#CC(C(=O)C=C1CCCCC1)=C(O)C1(c2ccccc2)CC1 ZINC000845839251 1031737988 /nfs/dbraw/zinc/73/79/88/1031737988.db2.gz SONMWORABQUQRP-QGZVFWFLSA-N 0 1 307.393 3.887 20 30 DHEDMN Cc1ccc([C@@H](C)C(O)=C(C#N)C(=O)C2(c3ccccc3)CC2)o1 ZINC000845840762 1031740310 /nfs/dbraw/zinc/74/03/10/1031740310.db2.gz FJLDKLQNUPUFPL-ZBFHGGJFSA-N 0 1 321.376 3.701 20 30 DHEDMN CCCCSCC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845843516 1031740603 /nfs/dbraw/zinc/74/06/03/1031740603.db2.gz YNRARCGKVBMGES-OAHLLOKOSA-N 0 1 315.438 3.529 20 30 DHEDMN N#CC1(c2ccc(C[NH2+]Cc3ccc([O-])c(Cl)c3)cc2)CC1 ZINC000873179299 1031742474 /nfs/dbraw/zinc/74/24/74/1031742474.db2.gz HFAHYUYGQZPPBE-UHFFFAOYSA-N 0 1 312.800 3.891 20 30 DHEDMN C=C[C@@H](CC)CC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000930256978 1031757817 /nfs/dbraw/zinc/75/78/17/1031757817.db2.gz VLYNZRHYVZEICS-HNNXBMFYSA-N 0 1 318.436 3.509 20 30 DHEDMN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC(C)(C)C[C@H]1C ZINC001171207847 1031823949 /nfs/dbraw/zinc/82/39/49/1031823949.db2.gz FSQOOJNUYSVRNJ-VXGBXAGGSA-N 0 1 319.836 3.659 20 30 DHEDMN CCCCc1nc(Cl)c(CN=Nc2cc(Cl)ccn2)[nH]1 ZINC000777913341 1031825971 /nfs/dbraw/zinc/82/59/71/1031825971.db2.gz KULQWSPGQVTDBH-UHFFFAOYSA-N 0 1 312.204 3.900 20 30 DHEDMN CCN(CC(=O)c1cn(CCC#N)c2ccccc12)CC1CCC1 ZINC000361486606 1031951304 /nfs/dbraw/zinc/95/13/04/1031951304.db2.gz ROAMYRXOTFEUHD-UHFFFAOYSA-N 0 1 323.440 3.860 20 30 DHEDMN N#Cc1cc(Cl)cc(CN2CCC[C@H](c3cccnc3)C2)c1 ZINC000930807988 1031957175 /nfs/dbraw/zinc/95/71/75/1031957175.db2.gz BXZKHCKUSOHRRH-KRWDZBQOSA-N 0 1 311.816 3.986 20 30 DHEDMN C[C@]1(Cc2cccc(F)c2)CCC[N@H+]1Cc1cncc(C#N)c1 ZINC000930812907 1031957602 /nfs/dbraw/zinc/95/76/02/1031957602.db2.gz VRNPMHNDMVTIEI-LJQANCHMSA-N 0 1 309.388 3.690 20 30 DHEDMN C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H]1COCc1ccccc1 ZINC001171221314 1031959095 /nfs/dbraw/zinc/95/90/95/1031959095.db2.gz KNKSGHJEMXIYSK-LAUBAEHRSA-N 0 1 320.436 3.780 20 30 DHEDMN N#CCc1cccc(C(=O)[C@H](C#N)c2nccc3ccccc32)c1 ZINC000361519426 1031967210 /nfs/dbraw/zinc/96/72/10/1031967210.db2.gz OAEPULCQSQZZMX-GOSISDBHSA-N 0 1 311.344 3.791 20 30 DHEDMN C#CCOc1ccc(CN[C@@H](C)c2cnn(CC3CCC3)c2)cc1 ZINC000898178001 1031979617 /nfs/dbraw/zinc/97/96/17/1031979617.db2.gz WBRZPTUEQVBTOT-INIZCTEOSA-N 0 1 323.440 3.546 20 30 DHEDMN C=C[C@@H](C)ONC(=O)Cc1csc(-c2ccc(CC)cc2)n1 ZINC000846546853 1031997304 /nfs/dbraw/zinc/99/73/04/1031997304.db2.gz ZFVDZVKNASXCJK-GFCCVEGCSA-N 0 1 316.426 3.537 20 30 DHEDMN C[C@@H](c1ccc(F)nc1)N1CCC(Nc2ccccc2C#N)CC1 ZINC000931033948 1032015080 /nfs/dbraw/zinc/01/50/80/1032015080.db2.gz VMZJVAGIXQFCKH-AWEZNQCLSA-N 0 1 324.403 3.730 20 30 DHEDMN Cc1csc([C@@H](C#N)C(=O)c2cn(C)c3ccc(F)cc23)n1 ZINC000361657636 1032040646 /nfs/dbraw/zinc/04/06/46/1032040646.db2.gz DCIXKMZGAGFAMH-LBPRGKRZSA-N 0 1 313.357 3.572 20 30 DHEDMN Cc1csc(C(C#N)C(=O)c2cn(C)c3ccc(F)cc23)n1 ZINC000361657636 1032040655 /nfs/dbraw/zinc/04/06/55/1032040655.db2.gz DCIXKMZGAGFAMH-LBPRGKRZSA-N 0 1 313.357 3.572 20 30 DHEDMN Cc1cccc(C)c1NC(=O)CCCN(CCC#N)CC1CC1 ZINC000137580770 1033335400 /nfs/dbraw/zinc/33/54/00/1033335400.db2.gz SAVKVUQAAJYPEF-UHFFFAOYSA-N 0 1 313.445 3.648 20 30 DHEDMN N#Cc1ccc2c(c1)CN([C@@H]1Cc3ccc(Cl)cc3C1)CC2 ZINC001172712906 1033350280 /nfs/dbraw/zinc/35/02/80/1033350280.db2.gz BVIVUWQUTLESHU-LJQANCHMSA-N 0 1 308.812 3.737 20 30 DHEDMN CC(=O)[C@@](C#N)(CCN(C)Cc1ccccc1C)c1ccccc1 ZINC000877899704 1033503863 /nfs/dbraw/zinc/50/38/63/1033503863.db2.gz DSTPRIYKBCHGPM-NRFANRHFSA-N 0 1 320.436 3.868 20 30 DHEDMN C[C@@H](CC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1)C(F)(F)F ZINC000860853962 1033513021 /nfs/dbraw/zinc/51/30/21/1033513021.db2.gz PQZIDPHBDAKWHD-WCQYABFASA-N 0 1 323.314 3.585 20 30 DHEDMN C=CC[N@H+](Cc1ccccc1)C[C@@H]1CCC2(CCOCC2)CO1 ZINC000877917046 1033514326 /nfs/dbraw/zinc/51/43/26/1033514326.db2.gz NMMYWRMTKPIYSQ-IBGZPJMESA-N 0 1 315.457 3.650 20 30 DHEDMN C=CC(C)(C)CC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000878314942 1033654974 /nfs/dbraw/zinc/65/49/74/1033654974.db2.gz AWNGHUCVIVPZJB-UHFFFAOYSA-N 0 1 318.436 3.509 20 30 DHEDMN CCSC[C@H](C)N1CCC(C#N)(c2ccccc2F)CC1 ZINC001173307648 1033663099 /nfs/dbraw/zinc/66/30/99/1033663099.db2.gz IHRGFZACYDXNPI-AWEZNQCLSA-N 0 1 306.450 3.824 20 30 DHEDMN C=CCOC1CCC(N2CCO[C@@H](c3ccccc3)C2)CC1 ZINC001173323208 1033685964 /nfs/dbraw/zinc/68/59/64/1033685964.db2.gz SRLPULSXKRSLFS-CTWPCTMYSA-N 0 1 301.430 3.574 20 30 DHEDMN C#CCCCCCN[C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000878425311 1033703579 /nfs/dbraw/zinc/70/35/79/1033703579.db2.gz KQFROHBSQGVSJS-CQSZACIVSA-N 0 1 313.401 3.589 20 30 DHEDMN Cc1c(=O)[nH]n(-c2ccccc2)c1NC1CCC(C)(C#N)CC1 ZINC001173593725 1033781284 /nfs/dbraw/zinc/78/12/84/1033781284.db2.gz SNKQDIQIMYTORM-UHFFFAOYSA-N 0 1 310.401 3.771 20 30 DHEDMN C#CCCCCCN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 ZINC000878886718 1033856731 /nfs/dbraw/zinc/85/67/31/1033856731.db2.gz DIGFVLNDZYDHFP-UHFFFAOYSA-N 0 1 324.346 3.697 20 30 DHEDMN Cc1cc(C)c(NC(=O)CN[C@H](C)c2ccc(C#N)cc2)c(C)c1 ZINC000173804500 1033883285 /nfs/dbraw/zinc/88/32/85/1033883285.db2.gz JDKHQGSLCSRZDH-MRXNPFEDSA-N 0 1 321.424 3.773 20 30 DHEDMN C#CC[C@H]1CCN(C(=O)c2cc(Cl)c3ccccc3c2O)C1 ZINC000862571728 1033895839 /nfs/dbraw/zinc/89/58/39/1033895839.db2.gz XCGISHHZKNMAMV-LBPRGKRZSA-N 0 1 313.784 3.684 20 30 DHEDMN Cc1cccc(C)c1Nc1ccc(N2CCN(C)CC2)c(C#N)c1 ZINC001173875315 1033919825 /nfs/dbraw/zinc/91/98/25/1033919825.db2.gz UYTYTYGHMKZBDV-UHFFFAOYSA-N 0 1 320.440 3.671 20 30 DHEDMN C#CC[C@@H](NCc1cccc(Br)n1)c1ccccc1 ZINC000794464372 1033956488 /nfs/dbraw/zinc/95/64/88/1033956488.db2.gz ZUYKICDCTNEEGP-OAHLLOKOSA-N 0 1 315.214 3.698 20 30 DHEDMN COc1cc2c(cc1OC)C(N=Nc1cc(C)ccc1F)CC2 ZINC000794521101 1034076707 /nfs/dbraw/zinc/07/67/07/1034076707.db2.gz VGNMZHQXUUZVJI-UHFFFAOYSA-N 0 1 314.360 3.914 20 30 DHEDMN CC(C)(C#N)CCCCN1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879691666 1034088884 /nfs/dbraw/zinc/08/88/84/1034088884.db2.gz GLXNRMPGRFAQDA-KRWDZBQOSA-N 0 1 312.461 3.586 20 30 DHEDMN COc1cc(C)c([C@H](C)NCc2ccc(C#N)s2)cc1OC ZINC000176947743 1034122661 /nfs/dbraw/zinc/12/26/61/1034122661.db2.gz HXOCXEIQRAOQCU-LBPRGKRZSA-N 0 1 316.426 3.796 20 30 DHEDMN CN1CCc2c(C#N)c(Nc3cccc4cnccc43)sc2C1 ZINC001174135331 1034162169 /nfs/dbraw/zinc/16/21/69/1034162169.db2.gz XOIGEMUAFANLAN-UHFFFAOYSA-N 0 1 320.421 3.899 20 30 DHEDMN N#Cc1cc(Br)cc(Nc2ccc3nccn3c2)c1 ZINC001174279108 1034242481 /nfs/dbraw/zinc/24/24/81/1034242481.db2.gz NNNBBLIDLWSWBX-UHFFFAOYSA-N 0 1 313.158 3.712 20 30 DHEDMN N#Cc1nc(Cl)ccc1NC1=CCCN(Cc2ccccc2)C1 ZINC001174392882 1034315133 /nfs/dbraw/zinc/31/51/33/1034315133.db2.gz LQCJSZCSYLUFRT-UHFFFAOYSA-N 0 1 324.815 3.808 20 30 DHEDMN Oc1c(Cl)cc(Cl)cc1/C=N/[C@H]1CCCn2nccc21 ZINC000864347824 1034323866 /nfs/dbraw/zinc/32/38/66/1034323866.db2.gz BBEJGOBUOBYIOD-OPFCKLNOSA-N 0 1 310.184 3.850 20 30 DHEDMN C=C(C)C[C@@H](/N=C\c1cc(Cl)cc(Cl)c1O)C(=O)OC ZINC000864346809 1034324986 /nfs/dbraw/zinc/32/49/86/1034324986.db2.gz DUFOMRVTCYXSPI-JGSGYBEMSA-N 0 1 316.184 3.626 20 30 DHEDMN N#Cc1ccc(CN2CCC3(CCCCO3)CC2)c(Cl)c1 ZINC000880458043 1034334736 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ZINC000186778625 1034660503 /nfs/dbraw/zinc/66/05/03/1034660503.db2.gz JCMHERQSGTZXPI-RDTXWAMCSA-N 0 1 311.429 3.515 20 30 DHEDMN C=CC[C@H]1CCN(CC(=O)N[C@@H](c2cccs2)C(C)(C)C)C1 ZINC001174891727 1034664913 /nfs/dbraw/zinc/66/49/13/1034664913.db2.gz VNXOLBZGGDKXRP-YOEHRIQHSA-N 0 1 320.502 3.850 20 30 DHEDMN CN1CCc2c(C#N)c(Nc3cccc4ncccc43)sc2C1 ZINC001174904258 1034671684 /nfs/dbraw/zinc/67/16/84/1034671684.db2.gz VJHZSXNESITBAS-UHFFFAOYSA-N 0 1 320.421 3.899 20 30 DHEDMN C[C@H]1CC(=NOCCC(F)(F)F)CN(Cc2ccccc2)C1 ZINC000777458729 1034752058 /nfs/dbraw/zinc/75/20/58/1034752058.db2.gz BIFXVOTWANBBNI-ZDUSSCGKSA-N 0 1 314.351 3.853 20 30 DHEDMN C=C[C@](C)(CC)C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000191135184 1034756321 /nfs/dbraw/zinc/75/63/21/1034756321.db2.gz HJIAGSBPYRPWGQ-CRAIPNDOSA-N 0 1 313.401 3.955 20 30 DHEDMN COC[C@@H](NCc1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000193278805 1034839851 /nfs/dbraw/zinc/83/98/51/1034839851.db2.gz YYVHCLRHTUBZLC-OAHLLOKOSA-N 0 1 306.818 3.750 20 30 DHEDMN 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Cc1sc(NC(=O)CN2CCCC(C)(C)CC2)c(C#N)c1C ZINC000426446968 1013232860 /nfs/dbraw/zinc/23/28/60/1013232860.db2.gz FGYKSKKMYLPPFY-UHFFFAOYSA-N 0 1 319.474 3.687 20 30 DHEDMN N#Cc1ccc2nc(-c3cnc(-c4ccncc4)s3)[nH]c2c1 ZINC000340096624 1013280992 /nfs/dbraw/zinc/28/09/92/1013280992.db2.gz ZMWVBCUWFYVJKU-UHFFFAOYSA-N 0 1 303.350 3.620 20 30 DHEDMN C#C[C@H](NC1CC2(C1)CO[C@@H](C)C2)c1ccc(Cl)cc1F ZINC000894408152 1013335727 /nfs/dbraw/zinc/33/57/27/1013335727.db2.gz ZVKYNGUDWHSFLR-LCJQRQNWSA-N 0 1 307.796 3.701 20 30 DHEDMN C[C@@H](CC(C)(C)C#N)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000894431990 1013358297 /nfs/dbraw/zinc/35/82/97/1013358297.db2.gz MFHLAQSHJBYDPK-JTQLQIEISA-N 0 1 311.223 3.573 20 30 DHEDMN Cc1nn(-c2ccccc2C)c(C)c1CN1CCC(C)(C#N)CC1 ZINC000894431385 1013359366 /nfs/dbraw/zinc/35/93/66/1013359366.db2.gz RFAOSUMQBQXUKC-UHFFFAOYSA-N 0 1 322.456 3.923 20 30 DHEDMN C#CCOc1ccccc1CN[C@H](C)c1cc(C)ccc1OC ZINC000319938038 1013385493 /nfs/dbraw/zinc/38/54/93/1013385493.db2.gz BEGYSKWBCFKLMC-MRXNPFEDSA-N 0 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C=CCCCN(C)CC(=O)N(CC)c1nc2ccccc2s1 ZINC000121128410 1032421570 /nfs/dbraw/zinc/42/15/70/1032421570.db2.gz ALWOJMMTUJCXEQ-UHFFFAOYSA-N 0 1 317.458 3.547 20 30 DHEDMN C=CCN(Cc1ccc(OC)cc1)Cc1ccc(OC)c(O)c1 ZINC000092217503 1032483808 /nfs/dbraw/zinc/48/38/08/1032483808.db2.gz MTYONZYATIXTBC-UHFFFAOYSA-N 0 1 313.397 3.598 20 30 DHEDMN C=C(C)C[N@@H+](Cc1ccccc1)Cc1cnc2c(c1)c(C)nn2C ZINC000348205367 1032504331 /nfs/dbraw/zinc/50/43/31/1032504331.db2.gz JYXSJZXDIZGASA-UHFFFAOYSA-N 0 1 320.440 3.855 20 30 DHEDMN C=C(C)CN(Cc1ccccc1)Cc1cnc2c(c1)c(C)nn2C ZINC000348205367 1032504338 /nfs/dbraw/zinc/50/43/38/1032504338.db2.gz JYXSJZXDIZGASA-UHFFFAOYSA-N 0 1 320.440 3.855 20 30 DHEDMN C=C(Cl)CN[C@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000773003777 1032521045 /nfs/dbraw/zinc/52/10/45/1032521045.db2.gz GWHISQFTLXCWSO-LLVKDONJSA-N 0 1 300.811 3.808 20 30 DHEDMN CC(C)c1nccnc1NN=Cc1cnc(-c2ccncc2)s1 ZINC000773077409 1032549043 /nfs/dbraw/zinc/54/90/43/1032549043.db2.gz FWBYNZSAIWKMSN-UHFFFAOYSA-N 0 1 324.413 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C[C@H](C#N)Oc1ccc(CN(C)Cc2ccc(F)c(F)c2)cc1 ZINC000130455511 1024168045 /nfs/dbraw/zinc/16/80/45/1024168045.db2.gz IZHXSNNDNGABNZ-CYBMUJFWSA-N 0 1 316.351 3.888 20 30 DHEDMN C=CCOc1ccc(CN[C@@H]2CCCc3c[nH]nc32)cc1Cl ZINC000268832794 1024174051 /nfs/dbraw/zinc/17/40/51/1024174051.db2.gz KWLWFZLXMYFZDQ-OAHLLOKOSA-N 0 1 317.820 3.795 20 30 DHEDMN Cc1cccnc1N=NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000790187119 1024239894 /nfs/dbraw/zinc/23/98/94/1024239894.db2.gz SIPHJEKBDPGYTQ-UHFFFAOYSA-N 0 1 317.776 3.651 20 30 DHEDMN CC(=NNc1ncccc1C)c1cccc(Br)c1 ZINC000790193569 1024242469 /nfs/dbraw/zinc/24/24/69/1024242469.db2.gz IFPIXHGJDSMZAD-UHFFFAOYSA-N 0 1 304.191 3.989 20 30 DHEDMN COc1ccc(-c2ccncc2)cc1CN=Nc1ncccc1C ZINC000790194361 1024242730 /nfs/dbraw/zinc/24/27/30/1024242730.db2.gz ZXSOGIYKWAMLBC-UHFFFAOYSA-N 0 1 318.380 3.907 20 30 DHEDMN Cc1ccc(CN=Nc2ncccc2C)c(Br)c1 ZINC000790193015 1024243237 /nfs/dbraw/zinc/24/32/37/1024243237.db2.gz OGVJXXQSNONKLA-UHFFFAOYSA-N 0 1 304.191 3.907 20 30 DHEDMN 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N#Cc1cccc(C2CCN(Cc3ccc(Cl)cn3)CC2)c1 ZINC001136929337 1030621558 /nfs/dbraw/zinc/62/15/58/1030621558.db2.gz IPUKSWIOBOVWBY-UHFFFAOYSA-N 0 1 311.816 3.986 20 30 DHEDMN CC(C)(NCc1ccc(C#N)s1)c1ccccc1[N+](=O)[O-] ZINC000291743771 1030625148 /nfs/dbraw/zinc/62/51/48/1030625148.db2.gz PEFDSCJBBMQTNC-UHFFFAOYSA-N 0 1 301.371 3.553 20 30 DHEDMN Cc1ccc2c(CN3CCc4ccc(C#N)cc4C3)c[nH]c2c1 ZINC001136969716 1030670519 /nfs/dbraw/zinc/67/05/19/1030670519.db2.gz ZCCLUFOGQGMEHP-UHFFFAOYSA-N 0 1 301.393 3.906 20 30 DHEDMN C=C(C)CN(CC)CC(=O)N[C@H](CC)c1ccccc1OCC ZINC000358923528 1030678401 /nfs/dbraw/zinc/67/84/01/1030678401.db2.gz WIBKWLCOHNINFH-QGZVFWFLSA-N 0 1 318.461 3.551 20 30 DHEDMN C[C@@H](CC#N)[N@@H+](C)CCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000827996287 1030746174 /nfs/dbraw/zinc/74/61/74/1030746174.db2.gz NRMLPDSYVSWCGN-HNNXBMFYSA-N 0 1 323.481 3.648 20 30 DHEDMN C[C@@H](CC#N)N(C)CCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000827996287 1030746191 /nfs/dbraw/zinc/74/61/91/1030746191.db2.gz 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C=C(Cc1ccccc1)C(=O)Nc1cc2n[nH]c(C)c2c(F)c1 ZINC001144395072 1031529603 /nfs/dbraw/zinc/52/96/03/1031529603.db2.gz IWSWHZIOJKIITD-UHFFFAOYSA-N 0 1 309.344 3.748 20 30 DHEDMN N#Cc1ccc(F)c(CN2CCC[C@@H](OC3CCC3)CC2)c1 ZINC000872275156 1031571064 /nfs/dbraw/zinc/57/10/64/1031571064.db2.gz FVVOXIGWOJANNA-QGZVFWFLSA-N 0 1 302.393 3.621 20 30 DHEDMN Cc1cnc(Cl)cc1NC(=N)c1ccc2cc(O)ccc2c1 ZINC001171181832 1031578845 /nfs/dbraw/zinc/57/88/45/1031578845.db2.gz CYNSFHVDKWJYKM-UHFFFAOYSA-N 0 1 311.772 3.939 20 30 DHEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@@H]3C[C@H]3C3CCCC3)[nH]c21 ZINC000845473596 1031597270 /nfs/dbraw/zinc/59/72/70/1031597270.db2.gz LLNDJHGTYASCAL-RRFJBIMHSA-N 0 1 307.397 3.874 20 30 DHEDMN N#C[C@H](c1ccccc1)[C@H]1CCCN1CCCc1cccnc1 ZINC000929756551 1031599843 /nfs/dbraw/zinc/59/98/43/1031599843.db2.gz HLFAWSKJSJFYAB-WOJBJXKFSA-N 0 1 305.425 3.786 20 30 DHEDMN CCCn1nccc1CN1CCC(c2ccc(C#N)cc2)CC1 ZINC000897588458 1031660017 /nfs/dbraw/zinc/66/00/17/1031660017.db2.gz 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Cc1ccc([C@@H](C)C(O)=C(C#N)C(=O)C2(c3ccccc3)CC2)o1 ZINC000845840758 1031739530 /nfs/dbraw/zinc/73/95/30/1031739530.db2.gz FJLDKLQNUPUFPL-GDBMZVCRSA-N 0 1 321.376 3.701 20 30 DHEDMN C[C@@H](C(=O)C(C#N)=C(O)C1(c2ccccc2)CC1)c1ccsc1 ZINC000845840856 1031741241 /nfs/dbraw/zinc/74/12/41/1031741241.db2.gz GTVYFIGBICSBPI-CJNGLKHVSA-N 0 1 323.417 3.861 20 30 DHEDMN C[N@H+](Cc1cc(C#N)cs1)C[C@H]1CCN(c2ccccc2)C1 ZINC000897624822 1031745774 /nfs/dbraw/zinc/74/57/74/1031745774.db2.gz ZMAWZPMCCXXDSP-OAHLLOKOSA-N 0 1 311.454 3.578 20 30 DHEDMN CN(Cc1cc(C#N)cs1)Cc1ccc(N(C)CCC#N)cc1 ZINC000897625044 1031747957 /nfs/dbraw/zinc/74/79/57/1031747957.db2.gz AMFTWLOVSNZWPV-UHFFFAOYSA-N 0 1 324.453 3.602 20 30 DHEDMN C[C@H](C#N)Oc1ccc(CNc2ccc3c(n2)CCCC3)cc1 ZINC000873189934 1031749033 /nfs/dbraw/zinc/74/90/33/1031749033.db2.gz UISHVEXRTGFMAI-CQSZACIVSA-N 0 1 307.397 3.863 20 30 DHEDMN COc1ccc(CN[C@@H]2CCOc3c(C)cc(C)cc32)cc1C#N ZINC000361143789 1031752197 /nfs/dbraw/zinc/75/21/97/1031752197.db2.gz 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/nfs/dbraw/zinc/01/48/07/1032014807.db2.gz NDQOPCPLZWZQRI-MRXNPFEDSA-N 0 1 318.424 3.577 20 30 DHEDMN C[C@@H](CCC#N)CN1CCCC[C@@H]1C(=O)OCc1ccccc1 ZINC000877488968 1033319792 /nfs/dbraw/zinc/31/97/92/1033319792.db2.gz JTMZCLPRGGJVHC-FUHWJXTLSA-N 0 1 314.429 3.524 20 30 DHEDMN COc1ccc(CN2CCC(C)=C(c3ccco3)C2)cc1C#N ZINC000338343426 1033327479 /nfs/dbraw/zinc/32/74/79/1033327479.db2.gz MBYIEXUFRGGXHZ-UHFFFAOYSA-N 0 1 308.381 3.839 20 30 DHEDMN COc1cnc(F)c(CN[C@@H](CCCC#N)c2ccccc2)c1 ZINC000877549228 1033349954 /nfs/dbraw/zinc/34/99/54/1033349954.db2.gz KNBWXNKJGCREQX-KRWDZBQOSA-N 0 1 313.376 3.754 20 30 DHEDMN N#CC(C(=O)CC1CCC(F)(F)CC1)C(=O)Nc1ccccc1 ZINC000860469687 1033390641 /nfs/dbraw/zinc/39/06/41/1033390641.db2.gz RXLCZUCQZBTURJ-CQSZACIVSA-N 0 1 320.339 3.550 20 30 DHEDMN CN(Cc1cc(C#N)cnc1Cl)C[C@H]1CCc2ccccc21 ZINC000877641006 1033394123 /nfs/dbraw/zinc/39/41/23/1033394123.db2.gz UEAXZUIQJGBOHA-OAHLLOKOSA-N 0 1 311.816 3.768 20 30 DHEDMN CCC[C@H](OCC)C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000860532352 1033405918 /nfs/dbraw/zinc/40/59/18/1033405918.db2.gz FVGLRLNHEHVGLN-AAEUAGOBSA-N 0 1 320.389 3.817 20 30 DHEDMN Cc1cccc2nc([C@H](C#N)C(=O)C[C@H](C)C(F)(F)F)[nH]c21 ZINC000860557073 1033413104 /nfs/dbraw/zinc/41/31/04/1033413104.db2.gz TZZBCZGRBMJERC-VHSXEESVSA-N 0 1 309.291 3.636 20 30 DHEDMN COc1ccc2c(c1)[C@H](NCc1cccc(C#N)c1)CCCO2 ZINC000151370271 1033441248 /nfs/dbraw/zinc/44/12/48/1033441248.db2.gz NVQLVXDFVBYNDS-GOSISDBHSA-N 0 1 308.381 3.570 20 30 DHEDMN N#C[C@H]1CCC[C@@H](NCc2cc(-c3ccc(F)cc3F)on2)C1 ZINC000877810959 1033460500 /nfs/dbraw/zinc/46/05/00/1033460500.db2.gz BXJYLVQCOMJNFM-WCQYABFASA-N 0 1 317.339 3.792 20 30 DHEDMN C[C@H](CC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1)c1ccco1 ZINC000860853793 1033511941 /nfs/dbraw/zinc/51/19/41/1033511941.db2.gz NVWOQJHRYSSDMN-ZBFHGGJFSA-N 0 1 321.376 3.783 20 30 DHEDMN CCN(CCC#N)[C@@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001173083218 1033534038 /nfs/dbraw/zinc/53/40/38/1033534038.db2.gz OAQGVONSSMGFPW-LBPRGKRZSA-N 0 1 300.324 3.752 20 30 DHEDMN Cc1cc(CSc2nc(Cc3ccccc3)n[nH]2)ccc1C#N ZINC000478737414 1033564162 /nfs/dbraw/zinc/56/41/62/1033564162.db2.gz FZEHBKMBMPWNFX-UHFFFAOYSA-N 0 1 320.421 3.868 20 30 DHEDMN C=CC(C)(C)CC(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000878818274 1033836942 /nfs/dbraw/zinc/83/69/42/1033836942.db2.gz OVPAHTHNEMVKCH-SNVBAGLBSA-N 0 1 305.809 3.996 20 30 DHEDMN CCCCOc1ncccc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000174004863 1033899090 /nfs/dbraw/zinc/89/90/90/1033899090.db2.gz LJRRSCREJBUDAL-OAHLLOKOSA-N 0 1 309.413 3.983 20 30 DHEDMN C=CCOCCN1CCC[C@@H]1c1nc2ccccc2n1C(C)C ZINC000339040490 1033902206 /nfs/dbraw/zinc/90/22/06/1033902206.db2.gz PHWDONPCITUPNE-GOSISDBHSA-N 0 1 313.445 3.957 20 30 DHEDMN COc1ccc(CNCc2ccccc2OC(C)C)cc1C#N ZINC000174295203 1033922203 /nfs/dbraw/zinc/92/22/03/1033922203.db2.gz OYSUXJASIDJGIB-UHFFFAOYSA-N 0 1 310.397 3.644 20 30 DHEDMN Clc1ccc(CSc2nncn2N=C[C@@H]2CC23CC3)cc1 ZINC000863075704 1033990054 /nfs/dbraw/zinc/99/00/54/1033990054.db2.gz VRKMQAYPRUKCCU-LBPRGKRZSA-N 0 1 318.833 3.858 20 30 DHEDMN Cc1ccc(NN=C2CCCc3nn(-c4ccccc4)cc32)nc1 ZINC000794506046 1034055047 /nfs/dbraw/zinc/05/50/47/1034055047.db2.gz IMXMHLUWKSWXDP-UHFFFAOYSA-N 0 1 317.396 3.728 20 30 DHEDMN CCCC(=O)Nc1ccc(CNCc2ccc(C#N)s2)cc1 ZINC000176948682 1034123369 /nfs/dbraw/zinc/12/33/69/1034123369.db2.gz VEWZUGZARVMZMJ-UHFFFAOYSA-N 0 1 313.426 3.648 20 30 DHEDMN C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000879826777 1034136898 /nfs/dbraw/zinc/13/68/98/1034136898.db2.gz PTNCIYFWQPWVIF-BEFAXECRSA-N 0 1 323.440 3.681 20 30 DHEDMN Cc1csc([C@@H]2CCN(CC#Cc3ccc(Cl)cc3)C2)n1 ZINC000880008600 1034180937 /nfs/dbraw/zinc/18/09/37/1034180937.db2.gz UPLDGLWXWAEGGU-OAHLLOKOSA-N 0 1 316.857 3.946 20 30 DHEDMN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](C(F)(F)F)O[C@H](C)C1 ZINC000880059860 1034197337 /nfs/dbraw/zinc/19/73/37/1034197337.db2.gz KICWEQMBGPOGOP-JMSVASOKSA-N 0 1 312.335 3.661 20 30 DHEDMN N#Cc1cc(N)c(Nc2ccc3nccn3c2)cc1C(F)(F)F ZINC001174280805 1034244677 /nfs/dbraw/zinc/24/46/77/1034244677.db2.gz WJYXVOYFZUBYKZ-UHFFFAOYSA-N 0 1 317.274 3.551 20 30 DHEDMN N#Cc1ccccc1CN[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000179096967 1034281674 /nfs/dbraw/zinc/28/16/74/1034281674.db2.gz HJFCVSGRFWIZMM-OXJNMPFZSA-N 0 1 306.409 3.816 20 30 DHEDMN C#CCOc1ccc([C@H](C)NCc2ccc(C)cc2OC)cc1 ZINC000119826050 1034282052 /nfs/dbraw/zinc/28/20/52/1034282052.db2.gz UMPYQMPJERVAAK-INIZCTEOSA-N 0 1 309.409 3.866 20 30 DHEDMN Oc1c(Cl)cc(Cl)cc1/C=N\[C@@H]1CCCn2nccc21 ZINC000864347822 1034325043 /nfs/dbraw/zinc/32/50/43/1034325043.db2.gz BBEJGOBUOBYIOD-DTOZUZIGSA-N 0 1 310.184 3.850 20 30 DHEDMN C=CCOC[C@H]1CCC[C@@]12CN(Cc1cc(C)cs1)CCO2 ZINC001137156179 1034348588 /nfs/dbraw/zinc/34/85/88/1034348588.db2.gz WLJDWYIQXSYWHH-SJLPKXTDSA-N 0 1 321.486 3.630 20 30 DHEDMN N#Cc1ccc(C[N@@H+]2Cc3ccccc3N3CCC[C@@H]3C2)cc1 ZINC000880550903 1034356021 /nfs/dbraw/zinc/35/60/21/1034356021.db2.gz ZLQSQBHECQACED-LJQANCHMSA-N 0 1 303.409 3.543 20 30 DHEDMN N#Cc1ccccc1CN1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000554946401 1034427533 /nfs/dbraw/zinc/42/75/33/1034427533.db2.gz RZHXIUYOVWDHQV-HXUWFJFHSA-N 0 1 304.393 3.528 20 30 DHEDMN N#CCC[C@@H](C#N)CNC1CC(F)(c2cccc(Cl)c2)C1 ZINC000555414078 1034684141 /nfs/dbraw/zinc/68/41/41/1034684141.db2.gz UOPGTZJVYGRORA-JQRITLKVSA-N 0 1 305.784 3.700 20 30 DHEDMN COc1ccc(CN(C)Cc2ccc(C#N)cc2)cc1OC1CC1 ZINC000600109287 1034738520 /nfs/dbraw/zinc/73/85/20/1034738520.db2.gz IRINXDSKHWYGKI-UHFFFAOYSA-N 0 1 322.408 3.740 20 30 DHEDMN C#CCOc1cccc(Cl)c1C=NNc1cc(Cl)ccn1 ZINC000777442016 1034742030 /nfs/dbraw/zinc/74/20/30/1034742030.db2.gz BFRHMCYDAZZSRU-UHFFFAOYSA-N 0 1 320.179 3.846 20 30 DHEDMN Cc1ccc(N=NC2CCCc3ncc(C(F)(F)F)cc32)nc1 ZINC000777441515 1034745588 /nfs/dbraw/zinc/74/55/88/1034745588.db2.gz YVLMUZYOMYPLHZ-UHFFFAOYSA-N 0 1 320.318 3.956 20 30 DHEDMN FC(F)(F)Oc1ccccc1N=NCc1cn2ccccc2n1 ZINC000777453862 1034750233 /nfs/dbraw/zinc/75/02/33/1034750233.db2.gz TYWSTKZQVSHYBG-UHFFFAOYSA-N 0 1 320.274 3.679 20 30 DHEDMN C=CCC1(C(=O)NC[C@@H](c2ccco2)N(CC)CC)CCC1 ZINC000190409279 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ZINC000159755994 1035088368 /nfs/dbraw/zinc/08/83/68/1035088368.db2.gz PGVCMEAMTKGLNQ-UHFFFAOYSA-N 0 1 308.223 3.723 20 30 DHEDMN Cc1ccc(Nc2sc3c(c2C#N)CCN(C)C3)c(F)c1F ZINC001176093359 1035194989 /nfs/dbraw/zinc/19/49/89/1035194989.db2.gz LOVHQRONKVUVFU-UHFFFAOYSA-N 0 1 319.380 3.938 20 30 DHEDMN N#Cc1cc(F)ccc1CSc1nc(-c2ccccc2)n[nH]1 ZINC000483088344 1035226137 /nfs/dbraw/zinc/22/61/37/1035226137.db2.gz NMSBEVPTDRJRHO-UHFFFAOYSA-N 0 1 310.357 3.775 20 30 DHEDMN N#Cc1ccc(N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000160919549 1035272446 /nfs/dbraw/zinc/27/24/46/1035272446.db2.gz APCOOLAYLUERQL-QGZVFWFLSA-N 0 1 315.380 3.685 20 30 DHEDMN N#Cc1ccc(N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000160919549 1035272449 /nfs/dbraw/zinc/27/24/49/1035272449.db2.gz APCOOLAYLUERQL-QGZVFWFLSA-N 0 1 315.380 3.685 20 30 DHEDMN CCN(CC#Cc1ccccc1)Cc1ccc(OC)c(OC)c1 ZINC000483539011 1035278051 /nfs/dbraw/zinc/27/80/51/1035278051.db2.gz AFHAVPZLPWKLOK-UHFFFAOYSA-N 0 1 309.409 3.577 20 30 DHEDMN C=CCN(Cc1ccc(OC)cc1)Cc1ccc(C#N)c(F)c1 ZINC000483537445 1035278699 /nfs/dbraw/zinc/27/86/99/1035278699.db2.gz OAYOLYAHYUCRQH-UHFFFAOYSA-N 0 1 310.372 3.894 20 30 DHEDMN N#Cc1cc(Cl)ccc1CN1CCCSC[C@@H]1C1CC1 ZINC001176642164 1035306055 /nfs/dbraw/zinc/30/60/55/1035306055.db2.gz WZSFWEFYTAWHKU-MRXNPFEDSA-N 0 1 306.862 3.929 20 30 DHEDMN Clc1ccc(C#CCN2CCCC[C@H]2[C@H]2CCCO2)cc1 ZINC001176927670 1035336974 /nfs/dbraw/zinc/33/69/74/1035336974.db2.gz VOUZNCBTHBGTAJ-ZWKOTPCHSA-N 0 1 303.833 3.725 20 30 DHEDMN N#CC(Cc1cccs1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC001177905546 1035398186 /nfs/dbraw/zinc/39/81/86/1035398186.db2.gz WLSOJCPOYAESMK-WMLDXEAASA-N 0 1 310.422 3.624 20 30 DHEDMN N#Cc1ccc(O)c(-c2cc(C3CC3)nn2[C@@H]2CCCCO2)c1 ZINC000904779316 1035452465 /nfs/dbraw/zinc/45/24/65/1035452465.db2.gz ZKYIRQCEMDCKRF-SFHVURJKSA-N 0 1 309.369 3.704 20 30 DHEDMN C#Cc1cccc(CNCc2nc3ccc(OC)cc3s2)c1 ZINC001178950943 1035457085 /nfs/dbraw/zinc/45/70/85/1035457085.db2.gz WDYPUUDYPKVJJO-UHFFFAOYSA-N 0 1 308.406 3.576 20 30 DHEDMN CN(C)Cc1cccc(C(=O)/C=C\c2ccnn2CC2CCC2)c1 ZINC000905077754 1035477505 /nfs/dbraw/zinc/47/75/05/1035477505.db2.gz DDKZVSCZVGQOIL-KTKRTIGZSA-N 0 1 323.440 3.641 20 30 DHEDMN CN(C)Cc1cccc(C(=O)/C=C/c2c(C3CCC3)cnn2C)c1 ZINC000905078238 1035478538 /nfs/dbraw/zinc/47/85/38/1035478538.db2.gz OUZFOVBYHYFQAU-ZHACJKMWSA-N 0 1 323.440 3.645 20 30 DHEDMN C[C@@H]1[C@H](C)OCCN1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000485238417 1035501903 /nfs/dbraw/zinc/50/19/03/1035501903.db2.gz ZIENKZXQKZCLNM-CVEARBPZSA-N 0 1 306.409 3.834 20 30 DHEDMN Cn1cc(C=NNc2cccc(Cl)n2)c(C2CCCC2)n1 ZINC000905469950 1035539442 /nfs/dbraw/zinc/53/94/42/1035539442.db2.gz KYGQNYNBSRTSIC-UHFFFAOYSA-N 0 1 303.797 3.572 20 30 DHEDMN C#C[C@H](N[C@H](C)c1ccc(-c2ccncc2)cc1)[C@H]1CCCO1 ZINC000775572004 1035568893 /nfs/dbraw/zinc/56/88/93/1035568893.db2.gz NQVHLOGCDHCXHJ-UIAACRFSSA-N 0 1 306.409 3.580 20 30 DHEDMN C#C[C@H](N[C@H](CC)c1cc(Cl)ccc1OC)[C@@H]1CCCO1 ZINC000775572707 1035571502 /nfs/dbraw/zinc/57/15/02/1035571502.db2.gz UCQHAJFRMKQRKQ-VYDXJSESSA-N 0 1 307.821 3.570 20 30 DHEDMN Cc1ccc2ccccc2c1NC(=O)c1ccc(O)c(C#N)c1 ZINC001193495162 1035641943 /nfs/dbraw/zinc/64/19/43/1035641943.db2.gz ZALIVMBWMMHVHC-UHFFFAOYSA-N 0 1 302.333 3.978 20 30 DHEDMN N#CCC[C@H](C#N)CN[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000905799026 1035657236 /nfs/dbraw/zinc/65/72/36/1035657236.db2.gz FJXYNXHEJJJRNJ-BYCMXARLSA-N 0 1 307.319 3.594 20 30 DHEDMN CCN(CC)CC(=O)Nc1ccccc1-c1ccc(C#N)cc1 ZINC001180389558 1035659165 /nfs/dbraw/zinc/65/91/65/1035659165.db2.gz LEGGKXIYLOWXRW-UHFFFAOYSA-N 0 1 307.397 3.506 20 30 DHEDMN C[C@@H](C#N)c1ccc(NC(=O)c2ccc(F)c(O)c2F)cc1 ZINC001193784642 1035722610 /nfs/dbraw/zinc/72/26/10/1035722610.db2.gz PSYGXNSQTBGJMH-VIFPVBQESA-N 0 1 302.280 3.550 20 30 DHEDMN C[C@@H](NCc1cccc(OC(C)(C)C)n1)c1ccc(C#N)cc1 ZINC000539506318 1035755351 /nfs/dbraw/zinc/75/53/51/1035755351.db2.gz AARRYBPTLWQZDY-CQSZACIVSA-N 0 1 309.413 3.981 20 30 DHEDMN CCCCCCC[C@@H](C)C(=O)Nc1nc(C)nc2nc[nH]c21 ZINC001181112888 1035834679 /nfs/dbraw/zinc/83/46/79/1035834679.db2.gz VIRJZHOQUQHZQB-LLVKDONJSA-N 0 1 303.410 3.596 20 30 DHEDMN N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc2[nH]cnc2c1 ZINC000539823252 1035882173 /nfs/dbraw/zinc/88/21/73/1035882173.db2.gz XMFNOYJWGOSPHY-XLIONFOSSA-N 0 1 316.408 3.835 20 30 DHEDMN N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc2nc[nH]c2c1 ZINC000539823252 1035882193 /nfs/dbraw/zinc/88/21/93/1035882193.db2.gz XMFNOYJWGOSPHY-XLIONFOSSA-N 0 1 316.408 3.835 20 30 DHEDMN COc1nscc1CN[C@@H](CCCC#N)c1ccccc1 ZINC001194655396 1035979656 /nfs/dbraw/zinc/97/96/56/1035979656.db2.gz JJQJXKYVQVQCFS-HNNXBMFYSA-N 0 1 301.415 3.676 20 30 DHEDMN Cc1cc(C#N)ccc1CN1CCN(c2cccc(F)c2)C[C@@H]1C ZINC001194754412 1036001699 /nfs/dbraw/zinc/00/16/99/1036001699.db2.gz CZILNRMOMZMVBT-INIZCTEOSA-N 0 1 323.415 3.717 20 30 DHEDMN C=CCC[C@@H](CC)N[C@H](CCNC(=O)OC(C)(C)C)C(F)F ZINC001181871584 1036027347 /nfs/dbraw/zinc/02/73/47/1036027347.db2.gz XBGCXPXRZDUIPT-CHWSQXEVSA-N 0 1 320.424 3.869 20 30 DHEDMN COc1ccc([C@@H]2CC[N@@H+](Cc3cccc(C#N)c3F)C2)cc1 ZINC000540341129 1036048586 /nfs/dbraw/zinc/04/85/86/1036048586.db2.gz UFLIMVSALWDRHM-MRXNPFEDSA-N 0 1 310.372 3.695 20 30 DHEDMN N#Cc1c(F)ccc(C=NNc2ncccc2Cl)c1Cl ZINC000761783489 1036150021 /nfs/dbraw/zinc/15/00/21/1036150021.db2.gz ZFQJDJJMCZYHCL-UHFFFAOYSA-N 0 1 309.131 3.845 20 30 DHEDMN Oc1c(Cl)cc(Cl)cc1/C=N/Cc1ccn2ccnc2c1 ZINC000761787145 1036154790 /nfs/dbraw/zinc/15/47/90/1036154790.db2.gz SFLVVBFWFGUMOR-GIJQJNRQSA-N 0 1 320.179 3.966 20 30 DHEDMN COc1cccc(CN(C)[C@@H](C)c2cccc(C#N)c2)c1OC ZINC000487824436 1036186984 /nfs/dbraw/zinc/18/69/84/1036186984.db2.gz SWCUAOOAYRMELM-AWEZNQCLSA-N 0 1 310.397 3.768 20 30 DHEDMN C[C@@H]1CC(N=Nc2nc(Cl)c(Cl)cc2Cl)C[N@H+]1C ZINC000761805107 1036220475 /nfs/dbraw/zinc/22/04/75/1036220475.db2.gz MQUWXHOHHIYZFK-ZCFIWIBFSA-N 0 1 307.612 3.534 20 30 DHEDMN C[C@@H]1CC(N=Nc2nc(Cl)c(Cl)cc2Cl)CN1C ZINC000761805107 1036220491 /nfs/dbraw/zinc/22/04/91/1036220491.db2.gz MQUWXHOHHIYZFK-ZCFIWIBFSA-N 0 1 307.612 3.534 20 30 DHEDMN Cc1cc(N2CCC(CC#N)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000541190848 1036253556 /nfs/dbraw/zinc/25/35/56/1036253556.db2.gz XFLIXDAOSNYHEW-UHFFFAOYSA-N 0 1 310.357 3.582 20 30 DHEDMN N#Cc1oc2ccccc2c1NC(=O)c1c(F)cncc1Cl ZINC001195467626 1036260955 /nfs/dbraw/zinc/26/09/55/1036260955.db2.gz BSRFOQBSZRLPDS-UHFFFAOYSA-N 0 1 315.691 3.744 20 30 DHEDMN C#CCN(CC)Cc1ccc(OC(F)F)c(Br)c1 ZINC000775663101 1036275543 /nfs/dbraw/zinc/27/55/43/1036275543.db2.gz YTILNUGEJPGCNV-UHFFFAOYSA-N 0 1 318.161 3.506 20 30 DHEDMN Cc1[nH]c2c(cccc2NC(=O)c2ccc(C#N)cc2O)c1C ZINC001195758797 1036328098 /nfs/dbraw/zinc/32/80/98/1036328098.db2.gz TYDDZPLVKUITNA-UHFFFAOYSA-N 0 1 305.337 3.614 20 30 DHEDMN N#Cc1ccc(C(=O)Nc2cc(Cl)cc3[nH]ccc32)c(O)c1 ZINC001195758058 1036329505 /nfs/dbraw/zinc/32/95/05/1036329505.db2.gz IUMIRPXWPBMLRK-UHFFFAOYSA-N 0 1 311.728 3.651 20 30 DHEDMN C#CCOc1ccc([C@@H](C)NCc2ccc3c(n2)CCCC3)cc1 ZINC000774452823 1036338976 /nfs/dbraw/zinc/33/89/76/1036338976.db2.gz 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C[C@@H](c1cccc(C#N)c1)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000186434324 1017269190 /nfs/dbraw/zinc/26/91/90/1017269190.db2.gz NIZLGPGGDUQNDJ-INIZCTEOSA-N 0 1 316.408 3.937 20 30 DHEDMN N#CCCCOc1cccc(CN2CCOC3(CCCC3)C2)c1 ZINC000093588980 1032547558 /nfs/dbraw/zinc/54/75/58/1032547558.db2.gz QXWRZBHEVSLSLA-UHFFFAOYSA-N 0 1 314.429 3.514 20 30 DHEDMN N#C[C@H]1CC[C@@H](NCc2c(F)cccc2OC(F)(F)F)C1 ZINC000424198646 1011941627 /nfs/dbraw/zinc/94/16/27/1011941627.db2.gz JHJAZEVSAZJAKV-VHSXEESVSA-N 0 1 302.271 3.506 20 30 DHEDMN C=CCn1cc(CN[C@H](c2ccc(C)cc2)C2CCCC2)nn1 ZINC000424291557 1011960039 /nfs/dbraw/zinc/96/00/39/1011960039.db2.gz DQCAGHOBKZEPLA-IBGZPJMESA-N 0 1 310.445 3.794 20 30 DHEDMN C=C(C)C(C)(C)c1nc(-c2ccc(F)c(CN(C)C)c2)no1 ZINC000424343825 1012007091 /nfs/dbraw/zinc/00/70/91/1012007091.db2.gz AIDASTSOQQUBRQ-UHFFFAOYSA-N 0 1 303.381 3.791 20 30 DHEDMN C=C(C)C(C)(C)C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000424612312 1012062530 /nfs/dbraw/zinc/06/25/30/1012062530.db2.gz 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N#Cc1csc(CN2CCS[C@H](c3ccccc3)C2)c1 ZINC000611272014 1019427819 /nfs/dbraw/zinc/42/78/19/1019427819.db2.gz XXTORVABIYPNMB-INIZCTEOSA-N 0 1 300.452 3.910 20 30 DHEDMN C[C@H](NCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(C#N)c1 ZINC000611387874 1019461974 /nfs/dbraw/zinc/46/19/74/1019461974.db2.gz UWJKSJBGGPOAFP-NSHDSACASA-N 0 1 315.760 3.971 20 30 DHEDMN C[C@H](NCc1cncc(Br)c1)c1cccc(C#N)c1 ZINC000611389245 1019463345 /nfs/dbraw/zinc/46/33/45/1019463345.db2.gz RDEDCCHLTSWOAQ-NSHDSACASA-N 0 1 316.202 3.567 20 30 DHEDMN CC(C)CCC[C@@H](C)NC(=O)CN[C@H](C)c1cccc(C#N)c1 ZINC000611387268 1019463438 /nfs/dbraw/zinc/46/34/38/1019463438.db2.gz IXIYFXMISUNFDL-HZPDHXFCSA-N 0 1 315.461 3.540 20 30 DHEDMN CCOc1ccc([C@H](C)NCc2cc(C#N)ccc2OC)cc1 ZINC000611377324 1019466215 /nfs/dbraw/zinc/46/62/15/1019466215.db2.gz LKKPCORKPXFUJY-AWEZNQCLSA-N 0 1 310.397 3.816 20 30 DHEDMN CC(C)(C#N)CCN1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000611462531 1019487097 /nfs/dbraw/zinc/48/70/97/1019487097.db2.gz 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/nfs/dbraw/zinc/67/76/98/1019677698.db2.gz SQQHXKKTLBUQPO-UHFFFAOYSA-N 0 1 301.415 3.957 20 30 DHEDMN Brc1ccc(N=NCc2csc(C3CC3)n2)nc1 ZINC000727262908 1019677896 /nfs/dbraw/zinc/67/78/96/1019677896.db2.gz CSXTVMUFYFWACM-UHFFFAOYSA-N 0 1 323.219 3.624 20 30 DHEDMN O=[N+]([O-])c1ccc(NN=Cc2ccc3c(c2)CCO3)c(Cl)c1 ZINC000727649729 1019746224 /nfs/dbraw/zinc/74/62/24/1019746224.db2.gz LVWHENBLNJGYIF-UHFFFAOYSA-N 0 1 317.732 3.629 20 30 DHEDMN CC(=NNc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1O ZINC000727651550 1019747264 /nfs/dbraw/zinc/74/72/64/1019747264.db2.gz DVAKQSUEESMUOU-UHFFFAOYSA-N 0 1 305.721 3.790 20 30 DHEDMN Fc1c(Cl)cccc1NN=Cc1nccn1CC(F)(F)F ZINC000727683864 1019753400 /nfs/dbraw/zinc/75/34/00/1019753400.db2.gz AVXBDRBZEKSMHW-UHFFFAOYSA-N 0 1 320.677 3.684 20 30 DHEDMN C=C(C)CN(Cc1ccc(CO)o1)Cc1ccc(C)c(OC)c1 ZINC000685442349 1019820511 /nfs/dbraw/zinc/82/05/11/1019820511.db2.gz LGMCGNAFHZLOSF-UHFFFAOYSA-N 0 1 315.413 3.667 20 30 DHEDMN COc1ccc(CN2CC=C(c3ccc(O)cc3)CC2)cc1C#N ZINC000179188069 1019821904 /nfs/dbraw/zinc/82/19/04/1019821904.db2.gz STMRJHQWACJXTP-UHFFFAOYSA-N 0 1 320.392 3.562 20 30 DHEDMN CCc1ccc(NC(=O)C(C#N)C(=O)C[C@@H](C)CC(C)C)cc1 ZINC000727953706 1019846839 /nfs/dbraw/zinc/84/68/39/1019846839.db2.gz MYGGZQRJGQVXMS-YOEHRIQHSA-N 0 1 314.429 3.969 20 30 DHEDMN N#Cc1ccc(C2(NCc3cnn(C4CCC4)c3)CCC2)cc1 ZINC000922224401 1019898058 /nfs/dbraw/zinc/89/80/58/1019898058.db2.gz QQPQBRUDLDZYJA-UHFFFAOYSA-N 0 1 306.413 3.649 20 30 DHEDMN Cc1[nH]ncc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000068916619 1019934355 /nfs/dbraw/zinc/93/43/55/1019934355.db2.gz PALRZORHBMGMHG-UHFFFAOYSA-N 0 1 318.336 3.634 20 30 DHEDMN COc1ccc2c(c1)CCCC2N=Nc1ccnc2ccccc12 ZINC000730148480 1019953927 /nfs/dbraw/zinc/95/39/27/1019953927.db2.gz UUBYTVOQICNKRF-UHFFFAOYSA-N 0 1 317.392 3.818 20 30 DHEDMN C=CCCO[C@@H](C)C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730421701 1019986006 /nfs/dbraw/zinc/98/60/06/1019986006.db2.gz NLFGSOHYEUHSIV-JQWIXIFHSA-N 0 1 318.373 3.593 20 30 DHEDMN Fc1cccc(C=NNc2ncccc2C(F)(F)F)c1F ZINC000730728360 1020015742 /nfs/dbraw/zinc/01/57/42/1020015742.db2.gz SNPSKVFSVPNEFJ-UHFFFAOYSA-N 0 1 301.218 3.825 20 30 DHEDMN CSc1ccc(CNCc2nccc3c2CCCC3)cc1C#N ZINC000922339412 1020019313 /nfs/dbraw/zinc/01/93/13/1020019313.db2.gz WMBYXIJTGZEUHE-UHFFFAOYSA-N 0 1 323.465 3.844 20 30 DHEDMN C=CCN(Cc1ccc(OCC#N)cc1)Cc1cccc(C#N)c1 ZINC000731211917 1020079792 /nfs/dbraw/zinc/07/97/92/1020079792.db2.gz IKRHJGALHPJNPP-UHFFFAOYSA-N 0 1 317.392 3.649 20 30 DHEDMN N#Cc1ccc2nc(-c3ccc(OC[C@@H]4CCCO4)cc3)[nH]c2c1 ZINC000123744416 1020096647 /nfs/dbraw/zinc/09/66/47/1020096647.db2.gz ZNXRJSVBBZEZBI-INIZCTEOSA-N 0 1 319.364 3.659 20 30 DHEDMN Oc1c(Cl)cc(Cl)cc1/C=N\C[C@H](O)Cc1ccccc1 ZINC000255637889 1020108267 /nfs/dbraw/zinc/10/82/67/1020108267.db2.gz MDXLRDJTBCWMHY-NGMPYOPUSA-N 0 1 324.207 3.722 20 30 DHEDMN C[C@H](C#N)Oc1ccc(CN[C@H](c2ccccn2)C2CC2)cc1 ZINC000922586419 1020147726 /nfs/dbraw/zinc/14/77/26/1020147726.db2.gz MEGVLLOXAWHGQC-KUHUBIRLSA-N 0 1 307.397 3.613 20 30 DHEDMN Cn1cc(Cl)cc1C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000647374131 1020223346 /nfs/dbraw/zinc/22/33/46/1020223346.db2.gz WVYHOPZBNYDGQN-SNVBAGLBSA-N 0 1 305.790 3.502 20 30 DHEDMN CCn1c(C)cc(C(=O)C(C#N)c2nc(C3CC3)cs2)c1C ZINC000647376760 1020229876 /nfs/dbraw/zinc/22/98/76/1020229876.db2.gz YSKRNAPEANXCDA-AWEZNQCLSA-N 0 1 313.426 3.949 20 30 DHEDMN Cc1ccc(C(C)N=Nc2ccc(Br)nc2)cc1 ZINC000732713033 1020268886 /nfs/dbraw/zinc/26/88/86/1020268886.db2.gz OCHKPSOJZBQSFE-UHFFFAOYSA-N 0 1 304.191 3.989 20 30 DHEDMN CCN(Cc1cccc2c1OCCO2)[C@H](C)c1ccc(C#N)cc1 ZINC000122962047 1020329672 /nfs/dbraw/zinc/32/96/72/1020329672.db2.gz CVWJNMKPRBASCN-OAHLLOKOSA-N 0 1 322.408 3.913 20 30 DHEDMN C#CCOc1ccc(CNCc2ccc3ccccc3n2)cc1 ZINC000733325564 1020372253 /nfs/dbraw/zinc/37/22/53/1020372253.db2.gz JXGMAGWFSPFRMB-UHFFFAOYSA-N 0 1 302.377 3.537 20 30 DHEDMN C#CCCOc1ccc(CNCc2ccc3ccccc3n2)cc1 ZINC000733325264 1020374113 /nfs/dbraw/zinc/37/41/13/1020374113.db2.gz BMUHTWVYAUKKCK-UHFFFAOYSA-N 0 1 316.404 3.927 20 30 DHEDMN Cc1cc(C(C#N)C(=O)CC[C@@H]2CCc3ccccc32)nc(C)n1 ZINC000892475299 1020430552 /nfs/dbraw/zinc/43/05/52/1020430552.db2.gz JGBCJJGZGNNUHM-WMZOPIPTSA-N 0 1 319.408 3.780 20 30 DHEDMN Cc1cc([C@H]2CCCN(c3c(Cl)cccc3C#N)C2)[nH]n1 ZINC000282290362 1020436203 /nfs/dbraw/zinc/43/62/03/1020436203.db2.gz QLARYSLGKDVVQP-ZDUSSCGKSA-N 0 1 300.793 3.627 20 30 DHEDMN C=CCN1CC[C@@H](N(Cc2ccc3ccccc3c2)C2CC2)C1=O ZINC000337137582 1032904976 /nfs/dbraw/zinc/90/49/76/1032904976.db2.gz OGFHYSNVRAEBIJ-HXUWFJFHSA-N 0 1 320.436 3.591 20 30 DHEDMN N#CC1(CCC[N@@H+]2CCc3ccc(Cl)cc3C2)CCOCC1 ZINC000337170721 1032909203 /nfs/dbraw/zinc/90/92/03/1032909203.db2.gz DAMBHVGFDKQPKE-UHFFFAOYSA-N 0 1 318.848 3.799 20 30 DHEDMN N#CC1(CCCN2CCc3ccc(Cl)cc3C2)CCOCC1 ZINC000337170721 1032909224 /nfs/dbraw/zinc/90/92/24/1032909224.db2.gz DAMBHVGFDKQPKE-UHFFFAOYSA-N 0 1 318.848 3.799 20 30 DHEDMN C#CCOc1ccccc1CNCc1ccc2c(c1)CC(C)(C)O2 ZINC000734159125 1020569534 /nfs/dbraw/zinc/56/95/34/1020569534.db2.gz HBZUJUDVQUBMEL-UHFFFAOYSA-N 0 1 321.420 3.702 20 30 DHEDMN C#CCOc1ccc(C=NNc2cc(F)c(F)cc2F)cc1 ZINC000734301536 1020584764 /nfs/dbraw/zinc/58/47/64/1020584764.db2.gz CTWFGMQQJLAGPT-UHFFFAOYSA-N 0 1 304.271 3.562 20 30 DHEDMN C=C[C@@H](COC)N[C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC001116643046 1020592414 /nfs/dbraw/zinc/59/24/14/1020592414.db2.gz HLQAODRBYLOQGE-ONGXEEELSA-N 0 1 305.752 3.793 20 30 DHEDMN N#Cc1ccc2nc(-c3cscc3Br)[nH]c2c1 ZINC000404778840 1020600843 /nfs/dbraw/zinc/60/08/43/1020600843.db2.gz HDWRDXPJSVNPGM-UHFFFAOYSA-N 0 1 304.172 3.926 20 30 DHEDMN CCN(C[C@](O)(CC)C(F)(F)F)[C@H](C)c1ccc(C#N)cc1 ZINC000929333563 1020600861 /nfs/dbraw/zinc/60/08/61/1020600861.db2.gz PGQLPQOZHUABNP-IUODEOHRSA-N 0 1 314.351 3.645 20 30 DHEDMN COc1cccc(CNCc2ccc(CC#N)cc2)c1OC(C)C ZINC000570213009 1020655237 /nfs/dbraw/zinc/65/52/37/1020655237.db2.gz XXVDKMSYAPNRIY-UHFFFAOYSA-N 0 1 324.424 3.838 20 30 DHEDMN N#CC(C(=O)[C@@H]1CSc2ccccc21)c1nc2ccccc2[nH]1 ZINC000735765283 1020765441 /nfs/dbraw/zinc/76/54/41/1020765441.db2.gz LHDUYSHQDVERNJ-QWHCGFSZSA-N 0 1 319.389 3.629 20 30 DHEDMN Cc1cccc2nc([C@@H](C#N)C(=O)C[C@@H](C)n3cccc3)[nH]c21 ZINC000735789401 1020767000 /nfs/dbraw/zinc/76/70/00/1020767000.db2.gz OOJDWIWFGCDHHH-KGLIPLIRSA-N 0 1 306.369 3.500 20 30 DHEDMN Cc1cccc(CCC(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)c1 ZINC000735790100 1020768270 /nfs/dbraw/zinc/76/82/70/1020768270.db2.gz UDYSCZCIAWQVKS-MRXNPFEDSA-N 0 1 317.392 3.989 20 30 DHEDMN CN(C)c1nc(=NN=C(CC(C)(C)C)c2ccccc2)cc[nH]1 ZINC000739412872 1020904079 /nfs/dbraw/zinc/90/40/79/1020904079.db2.gz DWOXWHNSIYVUEZ-UHFFFAOYSA-N 0 1 311.433 3.795 20 30 DHEDMN O=[N+]([O-])c1ccc(Cl)cc1CN=Nc1ncccc1Cl ZINC000739411561 1020904396 /nfs/dbraw/zinc/90/43/96/1020904396.db2.gz MAQZAPMJPRHYMC-UHFFFAOYSA-N 0 1 311.128 3.743 20 30 DHEDMN C#CCN(CCC=C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000739916487 1020925486 /nfs/dbraw/zinc/92/54/86/1020925486.db2.gz YSGLCUFMBFBVTR-OAHLLOKOSA-N 0 1 320.230 3.784 20 30 DHEDMN C#CCSCCNCc1csc(-c2ccc(Cl)cc2)n1 ZINC000740017858 1020927643 /nfs/dbraw/zinc/92/76/43/1020927643.db2.gz DBRRZZCZDSHJEW-UHFFFAOYSA-N 0 1 322.886 3.920 20 30 DHEDMN Cc1cc(C#N)ccc1COC(=O)c1ccc(O)c(Cl)c1 ZINC000777035000 1032943675 /nfs/dbraw/zinc/94/36/75/1032943675.db2.gz ZSPGMTKJADRXTH-UHFFFAOYSA-N 0 1 301.729 3.583 20 30 DHEDMN Cc1ccc([C@@H]2CCCC2N=Nc2cn[nH]c(=O)c2Cl)cc1 ZINC000741847855 1021061239 /nfs/dbraw/zinc/06/12/39/1021061239.db2.gz OOOAHRTYLQMEAQ-LBPRGKRZSA-N 0 1 316.792 3.880 20 30 DHEDMN C[C@@H](NC1CCC(C#N)(c2ccccc2)CC1)c1csnn1 ZINC000414312371 1021083280 /nfs/dbraw/zinc/08/32/80/1021083280.db2.gz ZTRMJCHWJSYCOQ-BZOOQXSSSA-N 0 1 312.442 3.593 20 30 DHEDMN CCOc1cc(/C=C\C(=O)c2cc(F)ccc2O)ccc1O ZINC000255899868 1021084226 /nfs/dbraw/zinc/08/42/26/1021084226.db2.gz YCTBZFSZUOZFFO-UTCJRWHESA-N 0 1 302.301 3.532 20 30 DHEDMN N#Cc1ccc(F)c(CNCc2ccc(OCC(F)F)cc2)c1 ZINC000742381855 1021109744 /nfs/dbraw/zinc/10/97/44/1021109744.db2.gz OGVPRCAFOQVDTI-UHFFFAOYSA-N 0 1 320.314 3.631 20 30 DHEDMN N#Cc1ccc(-c2cccc(CNCc3ccc(CO)o3)c2)s1 ZINC000742372208 1021112799 /nfs/dbraw/zinc/11/27/99/1021112799.db2.gz UNYWYYOQUBBODN-UHFFFAOYSA-N 0 1 324.405 3.662 20 30 DHEDMN CC(C)N(C)CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000742804067 1021166779 /nfs/dbraw/zinc/16/67/79/1021166779.db2.gz IAKCFNWLNJXSOI-IBGZPJMESA-N 0 1 321.424 3.621 20 30 DHEDMN C=CCN(CC(=O)N(CC)[C@H](C)c1ccc(F)cc1)C(C)C ZINC000917168689 1021205531 /nfs/dbraw/zinc/20/55/31/1021205531.db2.gz WLVVGPPQVWYJNL-OAHLLOKOSA-N 0 1 306.425 3.632 20 30 DHEDMN C#Cc1cccc(NC(=O)CN(C)[C@H]2CCCc3ccccc32)c1 ZINC000917153752 1021208220 /nfs/dbraw/zinc/20/82/20/1021208220.db2.gz GLPDSOGGBQPMHJ-FQEVSTJZSA-N 0 1 318.420 3.616 20 30 DHEDMN C[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)c1cncc(F)c1 ZINC000090180571 1021214434 /nfs/dbraw/zinc/21/44/34/1021214434.db2.gz XXTVVFQWNQXFNV-GFCCVEGCSA-N 0 1 322.305 3.942 20 30 DHEDMN CCCNC(=O)c1cccc(CN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000181519721 1021223429 /nfs/dbraw/zinc/22/34/29/1021223429.db2.gz PXQNMPLNYRLTSB-HNNXBMFYSA-N 0 1 321.424 3.549 20 30 DHEDMN CCOc1cccc(CN(Cc2ccc(C#N)cc2)C(C)C)n1 ZINC000154376390 1021247816 /nfs/dbraw/zinc/24/78/16/1021247816.db2.gz JAOQQVSQKWKRQJ-UHFFFAOYSA-N 0 1 309.413 3.763 20 30 DHEDMN CCc1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)oc1CC ZINC000128574958 1021291024 /nfs/dbraw/zinc/29/10/24/1021291024.db2.gz CSISNBKOYWGAGF-LBPRGKRZSA-N 0 1 307.353 3.771 20 30 DHEDMN CC(C)c1nn(C)c(Cl)c1C=NNc1ncccc1Cl ZINC000917546030 1021291838 /nfs/dbraw/zinc/29/18/38/1021291838.db2.gz FMHKVXCMRIPWHY-UHFFFAOYSA-N 0 1 312.204 3.691 20 30 DHEDMN Fc1ccc(-c2n[nH]cc2CN=Nc2cccc(F)c2F)cc1 ZINC000743442952 1021292061 /nfs/dbraw/zinc/29/20/61/1021292061.db2.gz LAWWXQDYHFPWDK-UHFFFAOYSA-N 0 1 316.286 3.940 20 30 DHEDMN CCn1c(C=NNc2cccc(F)c2F)nc2ccccc21 ZINC000743442714 1021292728 /nfs/dbraw/zinc/29/27/28/1021292728.db2.gz DAPPLVUZFSKVKU-UHFFFAOYSA-N 0 1 300.312 3.780 20 30 DHEDMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)OCCC(C)(C)C#N ZINC000776398729 1021344003 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1021625766 /nfs/dbraw/zinc/62/57/66/1021625766.db2.gz SBJJNALEEYLDMU-NSHDSACASA-N 0 1 310.382 3.633 20 30 DHEDMN CC(C)c1csc(C(C#N)C(=O)c2cnc3cc[nH]c3c2)n1 ZINC000892803451 1021625775 /nfs/dbraw/zinc/62/57/75/1021625775.db2.gz SBJJNALEEYLDMU-NSHDSACASA-N 0 1 310.382 3.633 20 30 DHEDMN C=CC[C@@H]1N(C(=O)c2cc(-c3ccoc3)[nH]n2)CCCC1(C)C ZINC000564738281 1021633740 /nfs/dbraw/zinc/63/37/40/1021633740.db2.gz JJTMUIXLEOZFHS-INIZCTEOSA-N 0 1 313.401 3.877 20 30 DHEDMN CO[C@H](C(=O)C(C#N)c1nc(C2CC2)cs1)C1CCCCC1 ZINC000851099911 1021737843 /nfs/dbraw/zinc/73/78/43/1021737843.db2.gz BHGULYUHUGCSAE-CJNGLKHVSA-N 0 1 318.442 3.792 20 30 DHEDMN CC(=O)C=C(C)Nc1nc(Cl)cc(Cc2ccccc2)n1 ZINC001155891139 1021808520 /nfs/dbraw/zinc/80/85/20/1021808520.db2.gz OZBKBXZHCPLFDT-FLIBITNWSA-N 0 1 301.777 3.626 20 30 DHEDMN COc1ccc(CNCc2ccc(C#N)c(Cl)c2)cc1F ZINC000619748531 1021885566 /nfs/dbraw/zinc/88/55/66/1021885566.db2.gz HKXPNPXDKGVARP-UHFFFAOYSA-N 0 1 304.752 3.649 20 30 DHEDMN 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COc1cc2c(cc1F)CC[C@@H]2NCc1ccc(C#N)cc1F ZINC000337845677 1033199786 /nfs/dbraw/zinc/19/97/86/1033199786.db2.gz HRGWXSLPPIHNHZ-KRWDZBQOSA-N 0 1 314.335 3.622 20 30 DHEDMN C=CCC[C@@H](COc1ccccc1)N[C@@H](C)c1nnc(C)s1 ZINC000883216139 1024295078 /nfs/dbraw/zinc/29/50/78/1024295078.db2.gz LOGFXXBRBZZGCO-ZFWWWQNUSA-N 0 1 317.458 3.911 20 30 DHEDMN C=CCC[C@H](COc1ccccc1)NCc1coc(CC)n1 ZINC000883227433 1024300905 /nfs/dbraw/zinc/30/09/05/1024300905.db2.gz QOYBMUJVOCZEDT-OAHLLOKOSA-N 0 1 300.402 3.740 20 30 DHEDMN CC[N@@H+](Cc1ccc(C#N)s1)Cc1ccc(OC)c(OC)c1 ZINC000271018682 1024445728 /nfs/dbraw/zinc/44/57/28/1024445728.db2.gz AIILRJVITNVVAC-UHFFFAOYSA-N 0 1 316.426 3.659 20 30 DHEDMN CCN(Cc1ccc(C#N)s1)Cc1ccc(OC)c(OC)c1 ZINC000271018682 1024445733 /nfs/dbraw/zinc/44/57/33/1024445733.db2.gz AIILRJVITNVVAC-UHFFFAOYSA-N 0 1 316.426 3.659 20 30 DHEDMN CCN(Cc1cnc(N(C)C)s1)[C@H](C)c1ccc(C#N)cc1 ZINC000271083166 1024455459 /nfs/dbraw/zinc/45/54/59/1024455459.db2.gz JSBUFZWZLACGBZ-CYBMUJFWSA-N 0 1 314.458 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CC(C)(CCC#N)CN1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000354179221 1025376082 /nfs/dbraw/zinc/37/60/82/1025376082.db2.gz ZZJQZFKICCBMPC-CQSZACIVSA-N 0 1 306.372 3.748 20 30 DHEDMN C=CC[C@H]1N(Cc2ncc(CN(C)C)s2)CCCC1(C)C ZINC000348373712 1025577961 /nfs/dbraw/zinc/57/79/61/1025577961.db2.gz INTLSRSKCDNHNH-OAHLLOKOSA-N 0 1 307.507 3.771 20 30 DHEDMN CC(C)c1ccc(C(=O)C(C#N)c2nc3ccccc3n2C)nc1 ZINC000355113773 1025607643 /nfs/dbraw/zinc/60/76/43/1025607643.db2.gz HVCZZLAZAPKDKR-AWEZNQCLSA-N 0 1 318.380 3.582 20 30 DHEDMN CCCN1Cc2cccc(/N=C/c3cccc(OC)c3O)c2C1 ZINC000066255612 1025617367 /nfs/dbraw/zinc/61/73/67/1025617367.db2.gz LGOUEFCWLCJKKG-RGVLZGJSSA-N 0 1 310.397 3.877 20 30 DHEDMN C=C(C)CN(Cc1ccccc1)Cc1cnc2n[nH]c(C)c2c1 ZINC000355210248 1025639521 /nfs/dbraw/zinc/63/95/21/1025639521.db2.gz AUQCTBBYXGCKOB-UHFFFAOYSA-N 0 1 306.413 3.845 20 30 DHEDMN N#Cc1cccc(CNCc2ccc(Br)c(F)c2)c1 ZINC000110386435 1025674398 /nfs/dbraw/zinc/67/43/98/1025674398.db2.gz DXEYMEJYIOAKGF-UHFFFAOYSA-N 0 1 319.177 3.750 20 30 DHEDMN Cc1csc(C(C#N)C(=O)c2ccc(N3CCC(C)=N3)cc2)n1 ZINC000048789105 1025677867 /nfs/dbraw/zinc/67/78/67/1025677867.db2.gz GFTGWSTWVKXADG-HNNXBMFYSA-N 0 1 324.409 3.528 20 30 DHEDMN N#Cc1csc(CN2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000355360239 1025691560 /nfs/dbraw/zinc/69/15/60/1025691560.db2.gz ATWFPWUHKIYFPS-UHFFFAOYSA-N 0 1 305.406 3.781 20 30 DHEDMN CC[C@H](C#N)Oc1cccc(CN[C@H]2CCc3cccnc32)c1 ZINC000886547191 1025692918 /nfs/dbraw/zinc/69/29/18/1025692918.db2.gz GVIWXURUZLFDSW-AEFFLSMTSA-N 0 1 307.397 3.540 20 30 DHEDMN C=CCc1cc(CN[C@H]2CCc3cccnc32)cc(OC)c1OC ZINC000886546078 1025693400 /nfs/dbraw/zinc/69/34/00/1025693400.db2.gz XQOSNYWOPPJCLR-KRWDZBQOSA-N 0 1 324.424 3.604 20 30 DHEDMN C=CCCC[C@@H](COc1ccccc1)N[C@H]1CCn2ccnc21 ZINC000886616193 1025739640 /nfs/dbraw/zinc/73/96/40/1025739640.db2.gz WPICEPULFNCAPF-WMZOPIPTSA-N 0 1 311.429 3.721 20 30 DHEDMN CN(Cc1ccc(C#N)cn1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000573741905 1025748329 /nfs/dbraw/zinc/74/83/29/1025748329.db2.gz VAMDBPFEFUVCFT-RTBURBONSA-N 0 1 321.424 3.631 20 30 DHEDMN CCc1c(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)ccn1C ZINC000355510432 1025749984 /nfs/dbraw/zinc/74/99/84/1025749984.db2.gz NJDGAAGOPKGHPY-GFCCVEGCSA-N 0 1 315.442 3.832 20 30 DHEDMN C=CCC[C@H](CC)NCc1nc(Cc2ccccc2F)no1 ZINC000886714953 1025825746 /nfs/dbraw/zinc/82/57/46/1025825746.db2.gz YQEDKZOKEMDMBA-AWEZNQCLSA-N 0 1 303.381 3.634 20 30 DHEDMN C=CCCC[C@H]([NH2+]Cc1nnc(CSC)[n-]1)c1ccccc1 ZINC000886759609 1025880088 /nfs/dbraw/zinc/88/00/88/1025880088.db2.gz KPGXOHLVEWESIE-HNNXBMFYSA-N 0 1 316.474 3.855 20 30 DHEDMN C=CCC1(O)CCN([C@@H](C)c2cccc(Br)c2)CC1 ZINC000886766026 1025882261 /nfs/dbraw/zinc/88/22/61/1025882261.db2.gz AIHWECANNVVVOT-ZDUSSCGKSA-N 0 1 324.262 3.913 20 30 DHEDMN CC(C)[C@H](Cc1ccc(F)cc1)N(C)Cc1nc(C#N)cs1 ZINC000356114507 1025951232 /nfs/dbraw/zinc/95/12/32/1025951232.db2.gz RKGUVZWCZSSWLZ-INIZCTEOSA-N 0 1 317.433 3.853 20 30 DHEDMN C#CCC(C)(C)COC(=O)c1[nH]c(-c2cccc(C)c2)nc1C ZINC000760272846 1025996600 /nfs/dbraw/zinc/99/66/00/1025996600.db2.gz BYFHGSDDHRJNTL-UHFFFAOYSA-N 0 1 310.397 3.900 20 30 DHEDMN Clc1cccc(C#CCN2CCC(OC3CCC3)CC2)c1 ZINC000419305188 1026119052 /nfs/dbraw/zinc/11/90/52/1026119052.db2.gz QYAPLUQXTOVATP-UHFFFAOYSA-N 0 1 303.833 3.725 20 30 DHEDMN C=CCCC1(CNC(=O)c2ccc3cncn3c2C)CCCC1 ZINC001131111597 1026153320 /nfs/dbraw/zinc/15/33/20/1026153320.db2.gz RRPVEKQTQDEKNU-UHFFFAOYSA-N 0 1 311.429 3.899 20 30 DHEDMN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC(CC)CC1 ZINC000532957994 1026155812 /nfs/dbraw/zinc/15/58/12/1026155812.db2.gz YAEQUWANTIPRIB-HNNXBMFYSA-N 0 1 320.502 3.773 20 30 DHEDMN CN(c1ccccc1)C1CCN(Cc2ccc(C#N)s2)CC1 ZINC000122239351 1026180166 /nfs/dbraw/zinc/18/01/66/1026180166.db2.gz JMUMMBMBVXZPSM-UHFFFAOYSA-N 0 1 311.454 3.721 20 30 DHEDMN CCN(Cc1ccc(C#N)cc1C)Cc1ccc(OC)cc1OC ZINC000614396825 1026291471 /nfs/dbraw/zinc/29/14/71/1026291471.db2.gz QEMVQRNINLTQGO-UHFFFAOYSA-N 0 1 324.424 3.906 20 30 DHEDMN CC(C)(CCC#N)C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000808430560 1026301245 /nfs/dbraw/zinc/30/12/45/1026301245.db2.gz XLZIGRXNHJTHOX-UHFFFAOYSA-N 0 1 311.223 3.574 20 30 DHEDMN CC1(C)CN(Cc2ccc(OCC#N)cc2)Cc2ccccc2O1 ZINC000808791367 1026395212 /nfs/dbraw/zinc/39/52/12/1026395212.db2.gz URPOUHJURJYQBI-UHFFFAOYSA-N 0 1 322.408 3.762 20 30 DHEDMN N#Cc1ccc2nc(NC(=O)CC(C3CCC3)C3CCC3)[nH]c2c1 ZINC001131674277 1026519669 /nfs/dbraw/zinc/51/96/69/1026519669.db2.gz MGRCLGMWSDJARN-UHFFFAOYSA-N 0 1 322.412 3.980 20 30 DHEDMN Cc1ccc(C[C@H](C)C(=O)Nc2nc3ccc(C#N)cc3[nH]2)cc1 ZINC001131674852 1026519751 /nfs/dbraw/zinc/51/97/51/1026519751.db2.gz ZBUOHXBQVFKANG-ZDUSSCGKSA-N 0 1 318.380 3.560 20 30 DHEDMN C[C@@H](c1cccc(C(F)(F)F)c1)N(C[C@H](O)CC#N)C1CC1 ZINC000809573219 1026552868 /nfs/dbraw/zinc/55/28/68/1026552868.db2.gz DZIUEZGAHPSWTK-XHDPSFHLSA-N 0 1 312.335 3.505 20 30 DHEDMN C#Cc1ccc(CNCc2sccc2Br)cc1 ZINC000809615672 1026565297 /nfs/dbraw/zinc/56/52/97/1026565297.db2.gz AXJJAIYWJVSJBJ-UHFFFAOYSA-N 0 1 306.228 3.782 20 30 DHEDMN C#Cc1ccc(CNCc2c(F)cccc2N2CCCC2)cc1 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DHEDMN C[C@H](O)C[C@H]1CCCCCN1Cc1ccc(Cl)cc1C#N ZINC000512445116 340362078 /nfs/dbraw/zinc/36/20/78/340362078.db2.gz WNIKFESLLZTAGO-SUMWQHHRSA-N 0 1 306.837 3.727 20 30 DHEDMN C=CC1CCN(Cc2nc(-c3ccc(F)c(C)c3)no2)CC1 ZINC000131105549 341060951 /nfs/dbraw/zinc/06/09/51/341060951.db2.gz LGGVJLFNSANSRH-UHFFFAOYSA-N 0 1 301.365 3.582 20 30 DHEDMN CC(C)N(C(=O)CN[C@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000548931283 341281420 /nfs/dbraw/zinc/28/14/20/341281420.db2.gz KQOXJTXCPKVMIF-MRXNPFEDSA-N 0 1 321.424 3.650 20 30 DHEDMN CC(C)c1cccc(NC(=O)CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000548935984 341281712 /nfs/dbraw/zinc/28/17/12/341281712.db2.gz FMVRABIJPYDPII-OAHLLOKOSA-N 0 1 321.424 3.971 20 30 DHEDMN C[C@@H](c1ccccc1Cl)N(C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000245398975 341291166 /nfs/dbraw/zinc/29/11/66/341291166.db2.gz VDVKLTVBVCTKNW-SCLBCKFNSA-N 0 1 314.816 3.938 20 30 DHEDMN C[C@H]1CCCN(CC(=O)c2cn(CCC#N)c3ccccc23)[C@H]1C ZINC000245409576 341291697 /nfs/dbraw/zinc/29/16/97/341291697.db2.gz MYULOBDBHJSQHD-HOTGVXAUSA-N 0 1 323.440 3.858 20 30 DHEDMN N#C[C@@H]1CC[C@@H](N2CCC[C@@H](Oc3ccccc3Cl)C2)C1 ZINC000549532268 341296566 /nfs/dbraw/zinc/29/65/66/341296566.db2.gz NNXMRPQDUHJLRI-RBSFLKMASA-N 0 1 304.821 3.875 20 30 DHEDMN C=CCC(C)(C)C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000551345488 341339116 /nfs/dbraw/zinc/33/91/16/341339116.db2.gz IQVBVMACTBNKKN-HNNXBMFYSA-N 0 1 308.853 3.661 20 30 DHEDMN CC(C)c1nc(CN(CCC#N)Cc2ccco2)c2ccccn21 ZINC000566014078 341545395 /nfs/dbraw/zinc/54/53/95/341545395.db2.gz OLIYPOGTZRPMIW-UHFFFAOYSA-N 0 1 322.412 3.967 20 30 DHEDMN C[C@H](NCc1ccc(C#N)cn1)c1ccc(C(F)(F)F)cc1 ZINC000566417072 341557115 /nfs/dbraw/zinc/55/71/15/341557115.db2.gz REVRXOZBBUJNKX-NSHDSACASA-N 0 1 305.303 3.823 20 30 DHEDMN CC(C)OC(=O)C[C@@H](NCc1ccc(C#N)cc1)c1ccccc1 ZINC000181837947 519747826 /nfs/dbraw/zinc/74/78/26/519747826.db2.gz AVYXSEKLPMLFRF-LJQANCHMSA-N 0 1 322.408 3.731 20 30 DHEDMN CN(Cc1cc(C#N)n(C)c1)Cc1cccc(C(F)(F)F)c1 ZINC000191260260 523169642 /nfs/dbraw/zinc/16/96/42/523169642.db2.gz LZVHQTQVWQJOKS-UHFFFAOYSA-N 0 1 307.319 3.548 20 30 DHEDMN N#Cc1ccccc1CN1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000267440506 526735219 /nfs/dbraw/zinc/73/52/19/526735219.db2.gz HYAHMKLCTWYYTA-DLBZAZTESA-N 0 1 312.438 3.708 20 30 DHEDMN CC(C)c1ccc(C[N@@H+](C)[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000827117977 601309199 /nfs/dbraw/zinc/30/91/99/601309199.db2.gz OBEBDCIGCASRJT-LJQANCHMSA-N 0 1 322.408 3.939 20 30 DHEDMN C[N@@H+](CC#Cc1ccc(Cl)cc1)Cc1ccc(C(=O)[O-])cc1 ZINC000830660807 601412406 /nfs/dbraw/zinc/41/24/06/601412406.db2.gz GKYVPMVOVBLALY-UHFFFAOYSA-N 0 1 313.784 3.522 20 30 DHEDMN C=CC[N@H+](Cc1ccc(C(=O)[O-])s1)Cc1cccc(C#N)c1 ZINC000825681923 601945310 /nfs/dbraw/zinc/94/53/10/601945310.db2.gz MOBXYKNMQPNBNL-UHFFFAOYSA-N 0 1 312.394 3.506 20 30 DHEDMN C[C@@H](c1cccs1)[N@H+](C)Cc1cccc(C(=O)[O-])c1C#N ZINC000833549874 604604498 /nfs/dbraw/zinc/60/44/98/604604498.db2.gz HMBNOEWGQDESJI-NSHDSACASA-N 0 1 300.383 3.511 20 30 DHEDMN C[C@@H](c1cccs1)[N@@H+](C)Cc1cccc(C(=O)[O-])c1C#N ZINC000833549874 604604501 /nfs/dbraw/zinc/60/45/01/604604501.db2.gz HMBNOEWGQDESJI-NSHDSACASA-N 0 1 300.383 3.511 20 30 DHEDMN CC[C@H](C)[C@H](C)[N@@H+](Cc1cccc(C(=O)[O-])c1C#N)C1CC1 ZINC000833637329 604607365 /nfs/dbraw/zinc/60/73/65/604607365.db2.gz COBGNQKYWUOPKG-STQMWFEESA-N 0 1 300.402 3.655 20 30 DHEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)C(C)(C)C ZINC000518180033 1013151512 /nfs/dbraw/zinc/15/15/12/1013151512.db2.gz PMCNFXMITSJZDR-ZDUSSCGKSA-N 0 1 319.474 3.607 20 30 DHEDMN C#C[C@H](NC1CC2(C1)CO[C@H](C)C2)c1ccc(Cl)cc1F ZINC000894408154 1013334923 /nfs/dbraw/zinc/33/49/23/1013334923.db2.gz ZVKYNGUDWHSFLR-OWWUSRRYSA-N 0 1 307.796 3.701 20 30 DHEDMN C=C[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](Cc2csc3ccccc23)C1 ZINC001573345074 962924882 /nfs/dbraw/zinc/92/48/82/962924882.db2.gz GEMKVTCYJVFFDH-CJNGLKHVSA-N 0 1 315.438 3.795 20 30 DHEDMN COc1nccc(CN[C@H](CCCC#N)c2ccccc2)c1F ZINC000894607523 1013429529 /nfs/dbraw/zinc/42/95/29/1013429529.db2.gz SGTMSXIVRPFJED-MRXNPFEDSA-N 0 1 313.376 3.754 20 30 DHEDMN N#Cc1ccc(F)c(CNCc2cccc(Br)c2)c1 ZINC000048818904 1013499313 /nfs/dbraw/zinc/49/93/13/1013499313.db2.gz DDMMOEHFJHYUCG-UHFFFAOYSA-N 0 1 319.177 3.750 20 30 DHEDMN COc1ccc(C(=O)/C=C\c2cc(F)c(O)c(F)c2)c(F)c1 ZINC000255077851 1013634428 /nfs/dbraw/zinc/63/44/28/1013634428.db2.gz LSYJJHMMRDTFCM-DJWKRKHSSA-N 0 1 308.255 3.714 20 30 DHEDMN Fc1ccc(C#CCN2CCC[C@H](Nc3ccccc3)C2)cc1 ZINC000441009210 1013651723 /nfs/dbraw/zinc/65/17/23/1013651723.db2.gz CZHDMPOZANMEPN-FQEVSTJZSA-N 0 1 308.400 3.754 20 30 DHEDMN N#Cc1ccc(CNCc2ccnc(OC3CCCC3)c2)s1 ZINC000176946913 1013688226 /nfs/dbraw/zinc/68/82/26/1013688226.db2.gz AVJQLLFHOQMWOQ-UHFFFAOYSA-N 0 1 313.426 3.626 20 30 DHEDMN C=CCC[C@@H](CO)NCc1oc2ccccc2c1Br ZINC000655789969 1013714864 /nfs/dbraw/zinc/71/48/64/1013714864.db2.gz CFBCUSWMKJLTEE-NSHDSACASA-N 0 1 324.218 3.612 20 30 DHEDMN N#Cc1ccc(CN2CCC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000520413075 1013733863 /nfs/dbraw/zinc/73/38/63/1013733863.db2.gz MAKVGPQNBVRWEU-KRWDZBQOSA-N 0 1 307.353 3.804 20 30 DHEDMN O=C(NCC1CCC(F)(F)CC1)c1n[nH]nc1-c1ccccc1 ZINC000328691926 1013792770 /nfs/dbraw/zinc/79/27/70/1013792770.db2.gz FDBZFRMBVMEJCY-UHFFFAOYSA-N 0 1 320.343 3.602 20 30 DHEDMN CC1(C)CCC(CNC(=O)N[C@H]2CCCc3cn[nH]c32)CC1 ZINC000328796626 1013800124 /nfs/dbraw/zinc/80/01/24/1013800124.db2.gz DGTSGTVXTIQOOS-AWEZNQCLSA-N 0 1 304.438 3.507 20 30 DHEDMN Cc1nc(CCNC([O-])=[NH+][C@@H]2CCCC[C@@H]2C(C)C)cs1 ZINC000330586671 1013827772 /nfs/dbraw/zinc/82/77/72/1013827772.db2.gz NORBTUCAMMTLDW-HUUCEWRRSA-N 0 1 309.479 3.712 20 30 DHEDMN Cc1nn(C)c(C)c1[NH+]=C([O-])Nc1cccc(N(C)C(C)C)c1 ZINC000330685399 1013831149 /nfs/dbraw/zinc/83/11/49/1013831149.db2.gz RIQKJJBWUZVKHC-UHFFFAOYSA-N 0 1 315.421 3.539 20 30 DHEDMN Cc1cc(C(C#N)C(=O)c2ccc(C(C)(C)C)s2)nc(C)n1 ZINC000331066217 1013854266 /nfs/dbraw/zinc/85/42/66/1013854266.db2.gz FZMQZLOCEUVPNS-GFCCVEGCSA-N 0 1 313.426 3.943 20 30 DHEDMN COc1ccc(CNCc2cc(C#N)cs2)cc1OC(F)F ZINC000177683644 1013977640 /nfs/dbraw/zinc/97/76/40/1013977640.db2.gz NDTAEQQPXFGOHH-UHFFFAOYSA-N 0 1 324.352 3.520 20 30 DHEDMN CCCN(Cc1cnn(C(C)(C)C)c1)Cc1ccc(C#N)cc1 ZINC000119278559 1014291825 /nfs/dbraw/zinc/29/18/25/1014291825.db2.gz JDNJFESFPFZWTK-UHFFFAOYSA-N 0 1 310.445 3.922 20 30 DHEDMN C=C(Cl)CNCc1ccc(Br)c2cccnc12 ZINC000165895851 1014495864 /nfs/dbraw/zinc/49/58/64/1014495864.db2.gz TYLWDLSXVRWLJW-UHFFFAOYSA-N 0 1 311.610 3.839 20 30 DHEDMN C=C(C)CN(CC)[C@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000255955448 1014526693 /nfs/dbraw/zinc/52/66/93/1014526693.db2.gz HTVCGXSEYKZNAJ-HUUCEWRRSA-N 0 1 314.429 3.897 20 30 DHEDMN C=CCCCS(=O)(=O)Nc1scnc1-c1ccccc1 ZINC000427776622 1014529637 /nfs/dbraw/zinc/52/96/37/1014529637.db2.gz XCAZTTQZOKHSEW-UHFFFAOYSA-N 0 1 308.428 3.518 20 30 DHEDMN N#CC(C(=O)c1ncccc1Oc1ccccc1)c1ccccn1 ZINC000442081488 1014627574 /nfs/dbraw/zinc/62/75/74/1014627574.db2.gz CLBKMFJLLLDKLV-HNNXBMFYSA-N 0 1 315.332 3.759 20 30 DHEDMN N#C[C@H](C(=O)c1ncccc1Oc1ccccc1)c1ccccn1 ZINC000442081488 1014627577 /nfs/dbraw/zinc/62/75/77/1014627577.db2.gz CLBKMFJLLLDKLV-HNNXBMFYSA-N 0 1 315.332 3.759 20 30 DHEDMN C=CC[N@H+](CCC(C)(C)C(=O)[O-])Cc1ccc(Cl)s1 ZINC000902073393 980721224 /nfs/dbraw/zinc/72/12/24/980721224.db2.gz YRTBDGDHHHDLHF-UHFFFAOYSA-N 0 1 301.839 3.890 20 30 DHEDMN N#CCc1cccc2c1CC[N@@H+](C[C@@H]1CCCC3(CCC3)O1)C2 ZINC000931332998 1032100994 /nfs/dbraw/zinc/10/09/94/1032100994.db2.gz PZWXTULALYUWSU-SFHVURJKSA-N 0 1 310.441 3.603 20 30 DHEDMN C=CCN(Cc1ccc(OC)cc1)Cc1ccc(C#N)c(OC)c1 ZINC000442805287 1014733185 /nfs/dbraw/zinc/73/31/85/1014733185.db2.gz YCPCPRCHOKSAKS-UHFFFAOYSA-N 0 1 322.408 3.764 20 30 DHEDMN N#CCC[C@H](C#N)CN[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000558506853 1014767987 /nfs/dbraw/zinc/76/79/87/1014767987.db2.gz QXXNAEISWLRBTR-ZLDLUXBVSA-N 0 1 307.319 3.594 20 30 DHEDMN C=CCN(CCc1ccccc1)Cc1cn2cc(C)ccc2n1 ZINC000521685785 1014773323 /nfs/dbraw/zinc/77/33/23/1014773323.db2.gz AZRIUOMTECTVTL-UHFFFAOYSA-N 0 1 305.425 3.873 20 30 DHEDMN CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cc1cccc(C(=O)[O-])c1C#N ZINC001594930753 982555615 /nfs/dbraw/zinc/55/56/15/982555615.db2.gz AWIBIFPVOGXFLF-DYVFJYSZSA-N 0 1 300.402 3.657 20 30 DHEDMN C=CC[C@@H](C(=O)[O-])[N@@H+](CC)CCc1ccc(C(F)(F)F)cc1 ZINC001588728834 983984555 /nfs/dbraw/zinc/98/45/55/983984555.db2.gz LWNCGDDDNANZHZ-AWEZNQCLSA-N 0 1 315.335 3.599 20 30 DHEDMN C=CC[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001588729622 983992149 /nfs/dbraw/zinc/99/21/49/983992149.db2.gz LULSMOZSXDAGMH-OCCSQVGLSA-N 0 1 313.319 3.524 20 30 DHEDMN C=CCC[C@@H]([NH2+]Cc1ccc(Cl)c(C(=O)[O-])n1)c1ccco1 ZINC001588778484 984160987 /nfs/dbraw/zinc/16/09/87/984160987.db2.gz BOZFUKPMCUHEGO-CYBMUJFWSA-N 0 1 320.776 3.823 20 30 DHEDMN C=CCOc1ccc(C[N@H+](C)[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC001588873459 984444162 /nfs/dbraw/zinc/44/41/62/984444162.db2.gz AVERZCLOZUQQOY-SFHVURJKSA-N 0 1 311.381 3.509 20 30 DHEDMN CN(CCCOc1cccc(C#N)c1)Cc1ccc(F)cc1F ZINC000477152409 1015095236 /nfs/dbraw/zinc/09/52/36/1015095236.db2.gz QXPYGWUHTHUKEK-UHFFFAOYSA-N 0 1 316.351 3.737 20 30 DHEDMN CCN(Cc1ccc(C#N)cc1OC)[C@@H](C)c1cccc(O)c1 ZINC000121148134 1015191639 /nfs/dbraw/zinc/19/16/39/1015191639.db2.gz NTJZGGUAPPNWHT-AWEZNQCLSA-N 0 1 310.397 3.856 20 30 DHEDMN CCOc1cccc([C@H](C)[NH2+]Cc2cccc(C(=O)[O-])c2C#N)c1 ZINC001597150239 986926259 /nfs/dbraw/zinc/92/62/59/986926259.db2.gz PBYNYXQOXBJSAW-ZDUSSCGKSA-N 0 1 324.380 3.506 20 30 DHEDMN C=CCC1(O)CCN(Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000895828346 1015313860 /nfs/dbraw/zinc/31/38/60/1015313860.db2.gz VOXJCMOJVZYGEZ-UHFFFAOYSA-N 0 1 322.861 3.853 20 30 DHEDMN Cc1cccc2nc(CCC(=O)Nc3cc(C#N)ccc3C)[nH]c21 ZINC000175935180 1015343371 /nfs/dbraw/zinc/34/33/71/1015343371.db2.gz JQPLUKJPKPUFBJ-UHFFFAOYSA-N 0 1 318.380 3.623 20 30 DHEDMN CC(C)(C)[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC001589731973 987952026 /nfs/dbraw/zinc/95/20/26/987952026.db2.gz CDWOOZUTGFAXAU-IRXDYDNUSA-N 0 1 314.429 3.832 20 30 DHEDMN CC(C)(C)[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)CC1 ZINC001589732041 987953302 /nfs/dbraw/zinc/95/33/02/987953302.db2.gz FLPITHANGCPSMN-OAHLLOKOSA-N 0 1 314.429 3.905 20 30 DHEDMN CC(C)c1cc([C@@H]2CCC[N@@H+](Cc3csc(C#N)c3)C2)[nH]n1 ZINC000895927477 1015365409 /nfs/dbraw/zinc/36/54/09/1015365409.db2.gz LBXJRVJAVBYOAI-CQSZACIVSA-N 0 1 314.458 3.846 20 30 DHEDMN CC(C)c1cc([C@@H]2CCCN(Cc3csc(C#N)c3)C2)[nH]n1 ZINC000895927477 1015365422 /nfs/dbraw/zinc/36/54/22/1015365422.db2.gz LBXJRVJAVBYOAI-CQSZACIVSA-N 0 1 314.458 3.846 20 30 DHEDMN Cc1csc(C(C#N)C(=O)C=Cc2ccccc2Cl)n1 ZINC000255369513 1015440356 /nfs/dbraw/zinc/44/03/56/1015440356.db2.gz NGMNBMJVRAVBHB-DGMVEKRQSA-N 0 1 302.786 3.995 20 30 DHEDMN CCc1oc(C(=O)[O-])cc1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC001597761446 989187943 /nfs/dbraw/zinc/18/79/43/989187943.db2.gz FVAKYTYGWCGTKD-GFCCVEGCSA-N 0 1 312.369 3.605 20 30 DHEDMN N#Cc1cc(CN2CCC[C@H](Cc3nccs3)C2)cs1 ZINC000896528536 1015613162 /nfs/dbraw/zinc/61/31/62/1015613162.db2.gz ZMBPXPNWYHJMAY-GFCCVEGCSA-N 0 1 303.456 3.531 20 30 DHEDMN CN(Cc1cc(C#N)cs1)C[C@@H](O)c1ccc(F)cc1Cl ZINC000933774025 1015662868 /nfs/dbraw/zinc/66/28/68/1015662868.db2.gz VCJXPSXELDYQTQ-OAHLLOKOSA-N 0 1 324.808 3.578 20 30 DHEDMN N#CC(C(=O)c1cc2[nH]ccc2s1)c1cnc2ccccc2n1 ZINC000361841488 1032122603 /nfs/dbraw/zinc/12/26/03/1032122603.db2.gz DJVDBOLMZCHLFR-SNVBAGLBSA-N 0 1 318.361 3.663 20 30 DHEDMN CC(C)CC[N@@H+](CCC#N)Cc1c2ccccc2[nH]c1C(=O)[O-] ZINC001591245519 992137396 /nfs/dbraw/zinc/13/73/96/992137396.db2.gz UGWLVSDORQUHHY-UHFFFAOYSA-N 0 1 313.401 3.628 20 30 DHEDMN Cc1nc([C@@H](C)NC(=O)NC2CCC3(CCCCC3)CC2)n[nH]1 ZINC000329377447 1015694126 /nfs/dbraw/zinc/69/41/26/1015694126.db2.gz MALBXIVURUCZDY-GFCCVEGCSA-N 0 1 319.453 3.571 20 30 DHEDMN O=C(NC1(c2nnc[nH]2)CCC1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000329498829 1015718193 /nfs/dbraw/zinc/71/81/93/1015718193.db2.gz JVJVPBUCWIZAHQ-NXEZZACHSA-N 0 1 316.327 3.509 20 30 DHEDMN Cc1cnn([C@H]2CCN(C([O-])=[NH+]CC3(C)CCCCCC3)C2)c1 ZINC000329505524 1015721355 /nfs/dbraw/zinc/72/13/55/1015721355.db2.gz AKDINEMPWGOWHQ-INIZCTEOSA-N 0 1 318.465 3.713 20 30 DHEDMN C[C@H](NC(=O)C1CCCCC1)C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000329540103 1015734569 /nfs/dbraw/zinc/73/45/69/1015734569.db2.gz WJRZMROGHXEEAP-JTQLQIEISA-N 0 1 319.409 3.586 20 30 DHEDMN C[C@H](NC(=O)C1CCCCC1)C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000329540103 1015734577 /nfs/dbraw/zinc/73/45/77/1015734577.db2.gz WJRZMROGHXEEAP-JTQLQIEISA-N 0 1 319.409 3.586 20 30 DHEDMN CCC(CC)CN(CCC#N)Cc1ccc(OC)c(OC)c1O ZINC000891937476 1015769675 /nfs/dbraw/zinc/76/96/75/1015769675.db2.gz JSOIGUZBORKCHS-UHFFFAOYSA-N 0 1 320.433 3.561 20 30 DHEDMN COc1ccc(Cl)cc1CNCc1ccc(C#N)c(C)c1 ZINC000443962607 1015794241 /nfs/dbraw/zinc/79/42/41/1015794241.db2.gz GSQJOSMXNINWQW-UHFFFAOYSA-N 0 1 300.789 3.819 20 30 DHEDMN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)CC1CCCC1 ZINC000475048183 1015802792 /nfs/dbraw/zinc/80/27/92/1015802792.db2.gz NRUNCQFLZXPHPX-SFHVURJKSA-N 0 1 318.417 3.524 20 30 DHEDMN Cc1ccccc1CN(Cc1cnc2ccc(C#N)cn12)C1CC1 ZINC000535782702 1015821346 /nfs/dbraw/zinc/82/13/46/1015821346.db2.gz NJJBGRVKAGRDKJ-UHFFFAOYSA-N 0 1 316.408 3.679 20 30 DHEDMN C=CCN(CCc1ccco1)Cc1ccc(C(F)(F)F)cn1 ZINC000341908166 1015843136 /nfs/dbraw/zinc/84/31/36/1015843136.db2.gz DBYGAYRWGKJGJJ-UHFFFAOYSA-N 0 1 310.319 3.924 20 30 DHEDMN Cc1csc(C2CCN(Cc3ccc(F)c(C#N)c3)CC2)n1 ZINC000119425668 1015881253 /nfs/dbraw/zinc/88/12/53/1015881253.db2.gz CWGOMDLYODYQPD-UHFFFAOYSA-N 0 1 315.417 3.842 20 30 DHEDMN C=CCn1c2ccccc2nc1S[C@@H](C)c1n[nH]c(CC)n1 ZINC000657226436 1016053517 /nfs/dbraw/zinc/05/35/17/1016053517.db2.gz PCOVMGPTDALQGP-NSHDSACASA-N 0 1 313.430 3.756 20 30 DHEDMN O=C(/C=C\c1cc2c(c(Cl)c1)OCO2)c1ccc(O)c(F)c1 ZINC000728438136 1016142429 /nfs/dbraw/zinc/14/24/29/1016142429.db2.gz AVILYCXNDCICJO-IWQZZHSRSA-N 0 1 320.703 3.810 20 30 DHEDMN N#Cc1cc(CN2CCC[C@@H]2CC(=O)c2ccccc2)cs1 ZINC000892118312 1016257806 /nfs/dbraw/zinc/25/78/06/1016257806.db2.gz VPXJPFWCTWIWSZ-MRXNPFEDSA-N 0 1 310.422 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SJGONFUCVSMPRW-FQEVSTJZSA-N 0 1 306.409 3.614 20 30 DHEDMN C#C[C@H]1CCCN([C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000847027571 1032185028 /nfs/dbraw/zinc/18/50/28/1032185028.db2.gz UTUNSDUBMSIAAI-CVEARBPZSA-N 0 1 309.413 3.760 20 30 DHEDMN Cc1ccnc(NC2(C#N)CCN(Cc3ccccc3)CC2)c1C ZINC001171274655 1032211459 /nfs/dbraw/zinc/21/14/59/1032211459.db2.gz MEZDMKSMLVSGBL-UHFFFAOYSA-N 0 1 320.440 3.669 20 30 DHEDMN Cc1cc(NC2(C#N)CCN(Cc3ccccc3)CC2)cnc1C ZINC001171277231 1032218260 /nfs/dbraw/zinc/21/82/60/1032218260.db2.gz OHQNGDNXHSFMRG-UHFFFAOYSA-N 0 1 320.440 3.669 20 30 DHEDMN COc1cc(CN2CC[C@H](C(F)(F)F)C[C@@H]2C)ccc1C#N ZINC000295017727 1032244792 /nfs/dbraw/zinc/24/47/92/1032244792.db2.gz MVDLOGFCGYJRKD-FZMZJTMJSA-N 0 1 312.335 3.730 20 30 DHEDMN C#CCOc1ccccc1CN[C@@H](C)c1ccc(F)c(OC)c1 ZINC000772987923 1032374749 /nfs/dbraw/zinc/37/47/49/1032374749.db2.gz MOMONTACWRBIRP-AWEZNQCLSA-N 0 1 313.372 3.697 20 30 DHEDMN C#CCOc1ccccc1CN[C@H](C)c1cccc(OCC)c1 ZINC000772988512 1032377512 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N#CC(C(=O)Cc1coc2cc3c(cc12)CCC3)c1ccccn1 ZINC000049456926 1011918153 /nfs/dbraw/zinc/91/81/53/1011918153.db2.gz LCAKUSVGVMSIKT-KRWDZBQOSA-N 0 1 316.360 3.735 20 30 DHEDMN C#CCOc1ccccc1CN[C@@H](C)c1sccc1OC ZINC000274575624 1011976179 /nfs/dbraw/zinc/97/61/79/1011976179.db2.gz JQBHVKYBERQZSY-ZDUSSCGKSA-N 0 1 301.411 3.620 20 30 DHEDMN C=C(C)C(C)(C)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000424607825 1012059593 /nfs/dbraw/zinc/05/95/93/1012059593.db2.gz VHHOXTKFSAGTMB-UHFFFAOYSA-N 0 1 318.436 3.509 20 30 DHEDMN C=C(C)C(C)(C)C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000424612309 1012060857 /nfs/dbraw/zinc/06/08/57/1012060857.db2.gz FIVYQBKMVQYRHU-HNNXBMFYSA-N 0 1 313.401 3.955 20 30 DHEDMN Cc1csc([C@@H](C#N)C(=O)c2cccc3c2OC(C)(C)C3)n1 ZINC000654968800 1012215000 /nfs/dbraw/zinc/21/50/00/1012215000.db2.gz LUXWXTZXPDDIFS-ZDUSSCGKSA-N 0 1 312.394 3.655 20 30 DHEDMN Cc1csc(C(C#N)C(=O)c2cccc3c2OC(C)(C)C3)n1 ZINC000654968800 1012215012 /nfs/dbraw/zinc/21/50/12/1012215012.db2.gz LUXWXTZXPDDIFS-ZDUSSCGKSA-N 0 1 312.394 3.655 20 30 DHEDMN C=CC[C@@H]1CCN1C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000890561437 1012250585 /nfs/dbraw/zinc/25/05/85/1012250585.db2.gz CBHINYXSNXTTFH-LLVKDONJSA-N 0 1 301.777 3.521 20 30 DHEDMN N#C[C@H]1CN(Cc2ccc(-c3ccccc3Cl)o2)CCC1=O ZINC001204738673 1012468150 /nfs/dbraw/zinc/46/81/50/1012468150.db2.gz MPMACBYCMIFDCP-LBPRGKRZSA-N 0 1 314.772 3.515 20 30 DHEDMN CCN(C)c1ccc(C(C)=[NH+]Nc2cccc(C(=O)[O-])c2)cc1 ZINC000748074346 1012499886 /nfs/dbraw/zinc/49/98/86/1012499886.db2.gz HPUMTQYTNLIWOK-UHFFFAOYSA-N 0 1 311.385 3.677 20 30 DHEDMN C=CCC[C@H](O)CN(C)[C@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000660710565 1012504875 /nfs/dbraw/zinc/50/48/75/1012504875.db2.gz UZNRJBCDRGKGGE-YPMHNXCESA-N 0 1 307.825 3.536 20 30 DHEDMN N#Cc1csc(C=NNc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000748075506 1012516240 /nfs/dbraw/zinc/51/62/40/1012516240.db2.gz JWIHITSZRHDVAW-UHFFFAOYSA-N 0 1 306.734 3.627 20 30 DHEDMN C=C1CCC(C(=O)Nc2cccc3c2OCC[C@H]3N(C)C)CC1 ZINC000890301160 1032648374 /nfs/dbraw/zinc/64/83/74/1032648374.db2.gz BGHBUKTWOIHFNS-QGZVFWFLSA-N 0 1 314.429 3.757 20 30 DHEDMN COc1cc(C#N)ccc1CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425536551 1012738982 /nfs/dbraw/zinc/73/89/82/1012738982.db2.gz OUAPFLXAAGDYLC-CQSZACIVSA-N 0 1 305.381 3.632 20 30 DHEDMN C[C@@H](CN1CCC[C@@H](Oc2ccccc2C#N)C1)C(F)(F)F ZINC001208890026 1012739095 /nfs/dbraw/zinc/73/90/95/1012739095.db2.gz CILIRYTYHDJOTG-GXTWGEPZSA-N 0 1 312.335 3.600 20 30 DHEDMN C=CCCN(C)[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000342767051 1017194007 /nfs/dbraw/zinc/19/40/07/1017194007.db2.gz VOZLSWYKWJNIGD-NSHDSACASA-N 0 1 300.324 3.540 20 30 DHEDMN C=C[C@H](CC(=O)NCc1nc2ccc(C)cc2[nH]1)c1ccccc1 ZINC000179003206 1017206098 /nfs/dbraw/zinc/20/60/98/1017206098.db2.gz GOGIVHYIWBRLLA-OAHLLOKOSA-N 0 1 319.408 3.847 20 30 DHEDMN CC(C)C(=O)Nc1ccc(CNCc2csc(C#N)c2)cc1 ZINC000921505878 1017338960 /nfs/dbraw/zinc/33/89/60/1017338960.db2.gz BXPKKXWNRYNBLJ-UHFFFAOYSA-N 0 1 313.426 3.504 20 30 DHEDMN COc1ccc(C(=O)C(C#N)c2nc3ccccc3o2)c(C)c1 ZINC000076842785 1017423641 /nfs/dbraw/zinc/42/36/41/1017423641.db2.gz KWPMMPSLGBMIFH-CQSZACIVSA-N 0 1 306.321 3.635 20 30 DHEDMN COc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)c(C)c1 ZINC000076842785 1017423646 /nfs/dbraw/zinc/42/36/46/1017423646.db2.gz KWPMMPSLGBMIFH-CQSZACIVSA-N 0 1 306.321 3.635 20 30 DHEDMN C[C@H](Cc1cccs1)[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001167608796 1017462976 /nfs/dbraw/zinc/46/29/76/1017462976.db2.gz PLWVZODRFQXCFE-GFCCVEGCSA-N 0 1 315.398 3.591 20 30 DHEDMN Oc1c(Cl)cc(Cl)cc1/C=N/C[C@@H](O)c1ccsc1 ZINC000304264300 1017478430 /nfs/dbraw/zinc/47/84/30/1017478430.db2.gz GOLMYTYOYWTUMG-CPSJTODCSA-N 0 1 316.209 3.913 20 30 DHEDMN C=CC[C@H]1CCN(CC(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000625702965 1017784573 /nfs/dbraw/zinc/78/45/73/1017784573.db2.gz KGRKBKNBLXCZKQ-INIZCTEOSA-N 0 1 300.446 3.955 20 30 DHEDMN C=CCN(CCC(=O)NCCCC)Cc1ccc(Cl)s1 ZINC000523842291 1017812521 /nfs/dbraw/zinc/81/25/21/1017812521.db2.gz SVIGYFPVCFFZCA-UHFFFAOYSA-N 0 1 314.882 3.696 20 30 DHEDMN COc1ccc([C@@H](C)NCC#Cc2ccc(F)cc2)cc1F ZINC000182002304 1017847423 /nfs/dbraw/zinc/84/74/23/1017847423.db2.gz OEHIFPKXYMXLRH-CYBMUJFWSA-N 0 1 301.336 3.676 20 30 DHEDMN Cc1nc(-c2ccc(CNCc3cc(C#N)cs3)o2)cs1 ZINC000343034596 1018013677 /nfs/dbraw/zinc/01/36/77/1018013677.db2.gz OBNDKCJOWKDIKD-UHFFFAOYSA-N 0 1 315.423 3.935 20 30 DHEDMN COC(=O)c1cccc(C[N@@H+](C)C[C@@H](C)c2ccccc2)c1C#N ZINC000535965564 1018202478 /nfs/dbraw/zinc/20/24/78/1018202478.db2.gz ZSYYNKIDNCBLOU-OAHLLOKOSA-N 0 1 322.408 3.580 20 30 DHEDMN COC(=O)c1cccc(CN(C)C[C@@H](C)c2ccccc2)c1C#N ZINC000535965564 1018202485 /nfs/dbraw/zinc/20/24/85/1018202485.db2.gz ZSYYNKIDNCBLOU-OAHLLOKOSA-N 0 1 322.408 3.580 20 30 DHEDMN N#CC[C@@H]1CCCN([C@@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171541107 1032754854 /nfs/dbraw/zinc/75/48/54/1032754854.db2.gz FLRSNHHOHWQSNK-WCQYABFASA-N 0 1 308.347 3.587 20 30 DHEDMN C[C@H]1C[N@@H+](Cc2ccccc2)CCN1CCCCC(C)(C)C#N ZINC000383076017 1018362658 /nfs/dbraw/zinc/36/26/58/1018362658.db2.gz WZKRCVXNVHPOAT-SFHVURJKSA-N 0 1 313.489 3.913 20 30 DHEDMN N#Cc1ccc(CN[C@H]2CCc3c2cccc3Br)o1 ZINC000174358315 1018420375 /nfs/dbraw/zinc/42/03/75/1018420375.db2.gz UVLCVNVNVRMORN-HNNXBMFYSA-N 0 1 317.186 3.691 20 30 DHEDMN C=CCc1cc(CN(CC)Cc2ccoc2)cc(OC)c1O ZINC000092935840 1018421720 /nfs/dbraw/zinc/42/17/20/1018421720.db2.gz ROCZDEMTVWORDJ-UHFFFAOYSA-N 0 1 301.386 3.744 20 30 DHEDMN CC(C)(C)OC(=O)c1ccc(CN=Nc2ccc(F)cn2)cc1 ZINC000764909763 1018423934 /nfs/dbraw/zinc/42/39/34/1018423934.db2.gz LPLGNMDRYBOOJK-UHFFFAOYSA-N 0 1 315.348 3.622 20 30 DHEDMN Cc1cc([C@@H]2CCCN(c3cc(C#N)c4ccccc4n3)C2)[nH]n1 ZINC000583512045 1018523016 /nfs/dbraw/zinc/52/30/16/1018523016.db2.gz KGAGGTXPUPQLBQ-CQSZACIVSA-N 0 1 317.396 3.522 20 30 DHEDMN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000527190873 1018527466 /nfs/dbraw/zinc/52/74/66/1018527466.db2.gz KNZBSBRUFLHPGU-SWLSCSKDSA-N 0 1 312.335 3.663 20 30 DHEDMN Cc1cc2ncc([C@@H](C)N[C@H](C)c3cccc(C#N)c3)c(C)n2n1 ZINC000091731433 1018588330 /nfs/dbraw/zinc/58/83/30/1018588330.db2.gz ZYSDBTAJABLODQ-ZIAGYGMSSA-N 0 1 319.412 3.630 20 30 DHEDMN Cn1c2ccccc2nc1C(C#N)C(=O)C(C)(C)c1cccs1 ZINC000115901144 1032780319 /nfs/dbraw/zinc/78/03/19/1032780319.db2.gz NOKHVGNELYFUGS-GFCCVEGCSA-N 0 1 323.421 3.789 20 30 DHEDMN COc1ccc([C@@H](C)NCc2ccc(C#N)c(F)c2)c(OC)c1 ZINC000361859542 1018739644 /nfs/dbraw/zinc/73/96/44/1018739644.db2.gz FAGHUXNSYUTSFM-GFCCVEGCSA-N 0 1 314.360 3.565 20 30 DHEDMN N#CCC[C@@H](C#N)CN[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000583909766 1018748814 /nfs/dbraw/zinc/74/88/14/1018748814.db2.gz QHKYCTLWSDQZHX-NOLJZWGESA-N 0 1 321.346 3.985 20 30 DHEDMN C[C@H]1CC(NC(=O)c2cc3sc4ccccc4c3s2)=NO1 ZINC000765375086 1018769537 /nfs/dbraw/zinc/76/95/37/1018769537.db2.gz DUGNQRQWYZARDA-QMMMGPOBSA-N 0 1 316.407 3.968 20 30 DHEDMN Cc1ccc(C)c(CN2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000110301828 1018881706 /nfs/dbraw/zinc/88/17/06/1018881706.db2.gz UCNPKWURAOCWEO-UHFFFAOYSA-N 0 1 323.415 3.636 20 30 DHEDMN N#CCCCOc1cccc(CNCc2cccc3c2OCC3)c1 ZINC000922944664 1018925339 /nfs/dbraw/zinc/92/53/39/1018925339.db2.gz PMSQHYXNKIDKCD-UHFFFAOYSA-N 0 1 322.408 3.594 20 30 DHEDMN C#CCC1(NCc2nc3cc(Br)ccc3o2)CCC1 ZINC000922998896 1018972611 /nfs/dbraw/zinc/97/26/11/1018972611.db2.gz MPYJZPLNOXCDJV-UHFFFAOYSA-N 0 1 319.202 3.626 20 30 DHEDMN C=C(C)[C@H](NC(=O)c1cccc(F)c1O)c1ccc(F)c(F)c1 ZINC001128249696 1019244767 /nfs/dbraw/zinc/24/47/67/1019244767.db2.gz ZGFVQPJJSWNSAW-HNNXBMFYSA-N 0 1 321.298 3.857 20 30 DHEDMN Cc1cc(C#N)cc(C)c1CN[C@@H]1CCOc2ccc(F)cc21 ZINC000922036320 1019351924 /nfs/dbraw/zinc/35/19/24/1019351924.db2.gz HZRIQLBESRJJKD-GOSISDBHSA-N 0 1 310.372 3.928 20 30 DHEDMN N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1[nH]nc2ccccc21 ZINC000611276704 1019431972 /nfs/dbraw/zinc/43/19/72/1019431972.db2.gz VVVDJBKIZSENFS-XLIONFOSSA-N 0 1 316.408 3.835 20 30 DHEDMN CC(C)c1ccc(NC(=O)CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000611386535 1019463487 /nfs/dbraw/zinc/46/34/87/1019463487.db2.gz MUSWYPMSQKYHNR-HNNXBMFYSA-N 0 1 321.424 3.971 20 30 DHEDMN CN(Cc1ccsc1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000611518015 1019511837 /nfs/dbraw/zinc/51/18/37/1019511837.db2.gz NCOHEZGCDURIQI-UHFFFAOYSA-N 0 1 322.437 3.652 20 30 DHEDMN CCOc1ccc(O)c(/C=N\C[C@H](c2cccs2)N(C)C)c1 ZINC000255870459 1019626684 /nfs/dbraw/zinc/62/66/84/1019626684.db2.gz KPPDVOZPNVVOMH-JQFNYASXSA-N 0 1 318.442 3.574 20 30 DHEDMN Fc1cccc(Cl)c1CN=Nc1cnc2ccccc2n1 ZINC000727258645 1019673565 /nfs/dbraw/zinc/67/35/65/1019673565.db2.gz PNVSPDOPRYRDLU-UHFFFAOYSA-N 0 1 300.724 3.868 20 30 DHEDMN CC(=NNc1ccc(C)cn1)c1cccc(Br)c1 ZINC000727263061 1019677086 /nfs/dbraw/zinc/67/70/86/1019677086.db2.gz KXWRIZFPGMMHCZ-UHFFFAOYSA-N 0 1 304.191 3.989 20 30 DHEDMN CC(=NNc1ccc(C)cn1)c1ccccc1Br ZINC000727259661 1019678208 /nfs/dbraw/zinc/67/82/08/1019678208.db2.gz JZKGCQKWROAEQD-UHFFFAOYSA-N 0 1 304.191 3.989 20 30 DHEDMN CC(=NNc1ccc(Br)cn1)c1cc(F)ccc1O ZINC000727266368 1019681557 /nfs/dbraw/zinc/68/15/57/1019681557.db2.gz RPNCJHLEVLQFJU-UHFFFAOYSA-N 0 1 324.153 3.525 20 30 DHEDMN Cc1ccc2nc(CN(Cc3ccc(C#N)cc3)C(C)C)cn2c1 ZINC000128234757 1019717042 /nfs/dbraw/zinc/71/70/42/1019717042.db2.gz PHDCQBMWIUFQCB-UHFFFAOYSA-N 0 1 318.424 3.925 20 30 DHEDMN CCCCCNC(=O)C(C#N)C(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000727627806 1019735423 /nfs/dbraw/zinc/73/54/23/1019735423.db2.gz KWDUDKOSELQHON-OWCLPIDISA-N 0 1 320.477 3.854 20 30 DHEDMN C#CC[C@H](COC)NCc1ccc(-c2ccccc2Cl)o1 ZINC000858335987 1032850588 /nfs/dbraw/zinc/85/05/88/1032850588.db2.gz QXARDYISAIYVSC-CYBMUJFWSA-N 0 1 303.789 3.728 20 30 DHEDMN COc1ccc(CN=Nc2ccc([N+](=O)[O-])cc2Cl)cc1F ZINC000727649443 1019745929 /nfs/dbraw/zinc/74/59/29/1019745929.db2.gz ITLGCPQJDJUWPU-UHFFFAOYSA-N 0 1 323.711 3.842 20 30 DHEDMN C[C@H]1C[C@H](NC2=CC(=O)CC(C)(C)C2)CN1Cc1ccccc1 ZINC001171731990 1032851096 /nfs/dbraw/zinc/85/10/96/1032851096.db2.gz FUANJKSAQSJGFG-YJBOKZPZSA-N 0 1 312.457 3.512 20 30 DHEDMN N#Cc1ccc(C2(NCc3cnn(CC4CCC4)c3)CCC2)cc1 ZINC000922221945 1019902439 /nfs/dbraw/zinc/90/24/39/1019902439.db2.gz BMVZUPSFQYNOTQ-UHFFFAOYSA-N 0 1 320.440 3.724 20 30 DHEDMN COc1ccc2[nH]cc(CN=Nc3cccc([N+](=O)[O-])c3)c2c1 ZINC000730145329 1019952170 /nfs/dbraw/zinc/95/21/70/1019952170.db2.gz ZLLVTAFPLGJTIV-UHFFFAOYSA-N 0 1 310.313 3.531 20 30 DHEDMN CC[C@@H](NCc1csc(C#N)c1)c1cccc(OC)c1OC ZINC000922314100 1019991524 /nfs/dbraw/zinc/99/15/24/1019991524.db2.gz IMFOBMXYRQBWDQ-OAHLLOKOSA-N 0 1 316.426 3.878 20 30 DHEDMN COc1cc(C)c(C(C)N=Nc2ccccc2F)cc1OC ZINC000731314821 1020088473 /nfs/dbraw/zinc/08/84/73/1020088473.db2.gz VITGHGGTWASICH-UHFFFAOYSA-N 0 1 302.349 3.987 20 30 DHEDMN CCOc1c(Cl)cc(CN=Nc2ccc(F)cn2)cc1OC ZINC000731321475 1020090451 /nfs/dbraw/zinc/09/04/51/1020090451.db2.gz JXHFJVJOYMZCCF-UHFFFAOYSA-N 0 1 323.755 3.727 20 30 DHEDMN Fc1ccc(NN=Cc2ccccc2OCc2cccnc2)nc1 ZINC000731318588 1020095239 /nfs/dbraw/zinc/09/52/39/1020095239.db2.gz LQGGPAOBWRYWAE-UHFFFAOYSA-N 0 1 322.343 3.641 20 30 DHEDMN Cc1ccc2ncc(CN(Cc3ccc(C#N)cc3)C(C)C)n2c1 ZINC000154389569 1020103105 /nfs/dbraw/zinc/10/31/05/1020103105.db2.gz VKQYRKUITHHRMW-UHFFFAOYSA-N 0 1 318.424 3.925 20 30 DHEDMN C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000347723049 1020119850 /nfs/dbraw/zinc/11/98/50/1020119850.db2.gz FCLMLRTWJXUCCT-XJKSGUPXSA-N 0 1 319.836 3.680 20 30 DHEDMN C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000347723049 1020119862 /nfs/dbraw/zinc/11/98/62/1020119862.db2.gz FCLMLRTWJXUCCT-XJKSGUPXSA-N 0 1 319.836 3.680 20 30 DHEDMN N#Cc1csc(CN2CCC[C@@H]2CC(=O)c2ccccc2)c1 ZINC000093668111 1020164645 /nfs/dbraw/zinc/16/46/45/1020164645.db2.gz WGCRBZILCYLEDM-MRXNPFEDSA-N 0 1 310.422 3.857 20 30 DHEDMN C=C(Br)CN(Cc1ccccc1)CC1CCOCC1 ZINC000732411251 1020241550 /nfs/dbraw/zinc/24/15/50/1020241550.db2.gz YWAIHISGFHNJBR-UHFFFAOYSA-N 0 1 324.262 3.824 20 30 DHEDMN Cc1ccc(CNCc2cn(C)nc2C2CCCC2)cc1C#N ZINC000922758319 1020251705 /nfs/dbraw/zinc/25/17/05/1020251705.db2.gz BAKAXFIVZJAHBT-UHFFFAOYSA-N 0 1 308.429 3.548 20 30 DHEDMN COc1ccc2oc(CNCc3ccc(OCC#N)cc3)cc2c1 ZINC000179303388 1020257000 /nfs/dbraw/zinc/25/70/00/1020257000.db2.gz OZEYIVGZIDAYDJ-UHFFFAOYSA-N 0 1 322.364 3.634 20 30 DHEDMN N#CCCOCCN1CCc2sccc2[C@H]1c1cccs1 ZINC000338880201 1020279994 /nfs/dbraw/zinc/27/99/94/1020279994.db2.gz LFSIFTJWGGTONE-INIZCTEOSA-N 0 1 318.467 3.687 20 30 DHEDMN CC[C@H]([NH2+]CC1(C#N)CCC1)c1cc(Br)ccc1[O-] ZINC000903033529 1020340582 /nfs/dbraw/zinc/34/05/82/1020340582.db2.gz WPRBFZBVGHWFOO-ZDUSSCGKSA-N 0 1 323.234 3.889 20 30 DHEDMN O=C(/C=C/c1c(Cl)nc2sccn12)c1ccccc1O ZINC000156598130 1020366469 /nfs/dbraw/zinc/36/64/69/1020366469.db2.gz UEISNLBRZDHJTD-AATRIKPKSA-N 0 1 304.758 3.651 20 30 DHEDMN C#CCOc1ccc(CNCc2cc3cccc(OC)c3o2)cc1 ZINC000733327408 1020373625 /nfs/dbraw/zinc/37/36/25/1020373625.db2.gz WCMGXNHOHIWOBC-UHFFFAOYSA-N 0 1 321.376 3.743 20 30 DHEDMN O=C(/C=C/c1ccn(-c2ccccc2)n1)c1ccc(O)c(F)c1 ZINC000179612029 1020414605 /nfs/dbraw/zinc/41/46/05/1020414605.db2.gz IUIWIYVKDIBFLL-VQHVLOKHSA-N 0 1 308.312 3.613 20 30 DHEDMN Cc1cc(C(C#N)C(=O)CC[C@H]2CCc3ccccc32)nc(C)n1 ZINC000892475296 1020429407 /nfs/dbraw/zinc/42/94/07/1020429407.db2.gz JGBCJJGZGNNUHM-AEFFLSMTSA-N 0 1 319.408 3.780 20 30 DHEDMN C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cccc2nsnc21 ZINC000766027072 1020478156 /nfs/dbraw/zinc/47/81/56/1020478156.db2.gz MNXQMYUMQNMOGG-UHFFFAOYSA-N 0 1 320.421 3.751 20 30 DHEDMN C=CCN(Cc1cccc(C#N)c1)Cc1cccc2nsnc21 ZINC000766027072 1020478159 /nfs/dbraw/zinc/47/81/59/1020478159.db2.gz MNXQMYUMQNMOGG-UHFFFAOYSA-N 0 1 320.421 3.751 20 30 DHEDMN CC(C)(C)Oc1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1 ZINC000188534415 1020554656 /nfs/dbraw/zinc/55/46/56/1020554656.db2.gz FBTFEZRVNBDYOG-UHFFFAOYSA-N 0 1 310.353 3.693 20 30 DHEDMN Cc1csc(C(C#N)C(=O)C=Cc2ccc3[nH]ccc3c2)n1 ZINC000765909439 1020572997 /nfs/dbraw/zinc/57/29/97/1020572997.db2.gz FDWXNLAPWWRKHK-MFBWXBCUSA-N 0 1 307.378 3.823 20 30 DHEDMN COCCOc1ccc(C=NNc2cc(F)c(F)cc2F)cc1 ZINC000734302775 1020582976 /nfs/dbraw/zinc/58/29/76/1020582976.db2.gz NXWCFEDTZPRASN-UHFFFAOYSA-N 0 1 324.302 3.575 20 30 DHEDMN C[C@@H](C#N)Oc1ccc(C=NNc2cc(F)c(F)cc2F)cc1 ZINC000734302747 1020583114 /nfs/dbraw/zinc/58/31/14/1020583114.db2.gz MSAYKOIDMVDNSW-JTQLQIEISA-N 0 1 319.286 3.841 20 30 DHEDMN CCN(C[C@](O)(CC)C(F)(F)F)[C@@H](C)c1ccc(C#N)cc1 ZINC000929333564 1020601039 /nfs/dbraw/zinc/60/10/39/1020601039.db2.gz PGQLPQOZHUABNP-SWLSCSKDSA-N 0 1 314.351 3.645 20 30 DHEDMN N#Cc1ccc(CNCc2ccccc2OCC(F)(F)F)cc1 ZINC000077589628 1020675859 /nfs/dbraw/zinc/67/58/59/1020675859.db2.gz HRDIKWMBIFGVBI-UHFFFAOYSA-N 0 1 320.314 3.789 20 30 DHEDMN CN(Cc1ccccc1)Cc1cc(Cl)ccc1OCC#N ZINC000735305415 1020716413 /nfs/dbraw/zinc/71/64/13/1020716413.db2.gz ZHPNNJVWJNNKBJ-UHFFFAOYSA-N 0 1 300.789 3.874 20 30 DHEDMN CCN(CCC1CC1)Cc1ccc(C#N)cc1Br ZINC000612829042 1020722719 /nfs/dbraw/zinc/72/27/19/1020722719.db2.gz HSUPNFAKUINLCW-UHFFFAOYSA-N 0 1 307.235 3.943 20 30 DHEDMN C[C@H](C#N)Oc1ccc(CN[C@@H]2CSc3ccccc32)cc1 ZINC000735508807 1020742452 /nfs/dbraw/zinc/74/24/52/1020742452.db2.gz ONMUSTMHGKSAIT-CXAGYDPISA-N 0 1 310.422 3.914 20 30 DHEDMN N#CC(C(=O)[C@H]1CSc2ccccc21)c1nc2ccccc2[nH]1 ZINC000735765280 1020764788 /nfs/dbraw/zinc/76/47/88/1020764788.db2.gz LHDUYSHQDVERNJ-OLZOCXBDSA-N 0 1 319.389 3.629 20 30 DHEDMN CCS[C@H](C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1)C(C)C ZINC000735792026 1020768672 /nfs/dbraw/zinc/76/86/72/1020768672.db2.gz GPFDCXWDPHTHHC-WBMJQRKESA-N 0 1 315.442 3.825 20 30 DHEDMN Cc1cccc2nc([C@@H](C#N)C(=O)CCc3ccccc3F)[nH]c21 ZINC000735793588 1020768716 /nfs/dbraw/zinc/76/87/16/1020768716.db2.gz WJEJMHVSBGYXQL-AWEZNQCLSA-N 0 1 321.355 3.820 20 30 DHEDMN CCS[C@H](C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1)C(C)C ZINC000735792024 1020769989 /nfs/dbraw/zinc/76/99/89/1020769989.db2.gz GPFDCXWDPHTHHC-LRDDRELGSA-N 0 1 315.442 3.825 20 30 DHEDMN O=C(Nc1cccc(CNCC#Cc2ccccc2)c1)C1CCC1 ZINC000892515457 1020775357 /nfs/dbraw/zinc/77/53/57/1020775357.db2.gz RPFWGIJVVDPTBO-UHFFFAOYSA-N 0 1 318.420 3.567 20 30 DHEDMN Clc1ccc2ncc(C=NN=c3ccc4ccccc4[nH]3)n2c1 ZINC000737416158 1020845311 /nfs/dbraw/zinc/84/53/11/1020845311.db2.gz MPGINRUTTGDCAL-UHFFFAOYSA-N 0 1 321.771 3.982 20 30 DHEDMN CCCCc1ccc(C(C)=NN=c2cc[nH]c(N(C)C)n2)cc1 ZINC000739412916 1020904741 /nfs/dbraw/zinc/90/47/41/1020904741.db2.gz FVAHVHPHVDKLHU-UHFFFAOYSA-N 0 1 311.433 3.721 20 30 DHEDMN CN(C)c1nccc(N=NCc2ccc(-c3ccccc3)cc2)n1 ZINC000739413439 1020907106 /nfs/dbraw/zinc/90/71/06/1020907106.db2.gz NPXNOVQAGSUKAI-UHFFFAOYSA-N 0 1 317.396 3.656 20 30 DHEDMN Cc1nc(CN=Nc2cccc(C(F)(F)F)n2)c2ccccn12 ZINC000739421557 1020908564 /nfs/dbraw/zinc/90/85/64/1020908564.db2.gz JYJPOQOYXFOMEP-UHFFFAOYSA-N 0 1 319.290 3.503 20 30 DHEDMN CSCCCCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000740528912 1020937687 /nfs/dbraw/zinc/93/76/87/1020937687.db2.gz BRPVYUIITSNMHT-LLVKDONJSA-N 0 1 324.833 3.521 20 30 DHEDMN O=C(/C=C/c1cnc2ccc(Cl)cn12)c1ccc(O)c(F)c1 ZINC000737442393 1021038042 /nfs/dbraw/zinc/03/80/42/1021038042.db2.gz APFDNVRDKQBRHS-HWKANZROSA-N 0 1 316.719 3.729 20 30 DHEDMN Cc1ccc(N=Cc2cc(Cl)cc(Cl)c2O)cc1C(N)=O ZINC000255905968 1021091357 /nfs/dbraw/zinc/09/13/57/1021091357.db2.gz RZQFNHSPFBQUQD-UHFFFAOYSA-N 0 1 323.179 3.857 20 30 DHEDMN Cc1csc(C(C#N)C(=O)c2cccc(SCC#N)c2)n1 ZINC000176013784 1021093933 /nfs/dbraw/zinc/09/39/33/1021093933.db2.gz AGBDOADVDWXEFG-CYBMUJFWSA-N 0 1 313.407 3.557 20 30 DHEDMN N#Cc1ccc(F)c(CNCc2cccc(OC(F)F)c2)c1 ZINC000742381995 1021108851 /nfs/dbraw/zinc/10/88/51/1021108851.db2.gz WNKJOGQEAHXNBX-UHFFFAOYSA-N 0 1 306.287 3.589 20 30 DHEDMN CC(=O)c1cc(C(=O)C(C#N)c2ccccn2)ccc1OC(C)C ZINC000659030584 1021123565 /nfs/dbraw/zinc/12/35/65/1021123565.db2.gz QOKZBFLGZZKRAT-MRXNPFEDSA-N 0 1 322.364 3.561 20 30 DHEDMN C=CCOc1ccc(OC(=O)c2cc(-c3ccc(C)o3)n[nH]2)cc1 ZINC000742864552 1021177025 /nfs/dbraw/zinc/17/70/25/1021177025.db2.gz RSOFAHFCPBURHC-UHFFFAOYSA-N 0 1 324.336 3.762 20 30 DHEDMN O=C(/C=C\c1ccc(Br)cc1)c1ccc(O)cc1O ZINC000214259644 1021190166 /nfs/dbraw/zinc/19/01/66/1021190166.db2.gz LYUNGAMWEXGUOU-BAQGIRSFSA-N 0 1 319.154 3.756 20 30 DHEDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)C=Cc1ccc(O)cc1 ZINC000917145043 1021201244 /nfs/dbraw/zinc/20/12/44/1021201244.db2.gz GCSAVXYXNLLOCR-XFXZXTDPSA-N 0 1 304.349 3.987 20 30 DHEDMN N#Cc1csc(CN2CCC(N3CCc4ccccc43)CC2)c1 ZINC000337390963 1032963467 /nfs/dbraw/zinc/96/34/67/1032963467.db2.gz NNVRHWGJUOKILM-UHFFFAOYSA-N 0 1 323.465 3.647 20 30 DHEDMN N#Cc1ccc2c(c1)CCCC2N=Nc1cccc([N+](=O)[O-])c1 ZINC000743421162 1021289892 /nfs/dbraw/zinc/28/98/92/1021289892.db2.gz QJIXNFHJCPIDCR-UHFFFAOYSA-N 0 1 306.325 3.619 20 30 DHEDMN Clc1cccnc1NN=Cc1cnc(-c2ccccc2)nc1 ZINC000917546240 1021292269 /nfs/dbraw/zinc/29/22/69/1021292269.db2.gz IKGMGLXASROINB-UHFFFAOYSA-N 0 1 309.760 3.638 20 30 DHEDMN C(=NNc1nc2ccccc2s1)c1cccc2c1OCCO2 ZINC000917530569 1021293162 /nfs/dbraw/zinc/29/31/62/1021293162.db2.gz NUDZCJIWRSVUIV-UHFFFAOYSA-N 0 1 311.366 3.514 20 30 DHEDMN O=[N+]([O-])c1ccc(Cl)c(CN=Nc2ncccc2Cl)c1 ZINC000917549286 1021299360 /nfs/dbraw/zinc/29/93/60/1021299360.db2.gz KWWTUENNOYWISQ-UHFFFAOYSA-N 0 1 311.128 3.743 20 30 DHEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@@H](C)c3cccc(F)c3)[nH]c21 ZINC000744161376 1021454073 /nfs/dbraw/zinc/45/40/73/1021454073.db2.gz TUKYODIXGQCBTG-SWLSCSKDSA-N 0 1 321.355 3.990 20 30 DHEDMN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(Br)o1 ZINC000618742623 1021500961 /nfs/dbraw/zinc/50/09/61/1021500961.db2.gz NDBDXIYELFIBCV-CQSZACIVSA-N 0 1 317.186 3.691 20 30 DHEDMN N#Cc1ccc2c(c1)CC[C@H]2NCc1c[nH]c(-c2ccccc2)n1 ZINC000618742203 1021501335 /nfs/dbraw/zinc/50/13/35/1021501335.db2.gz UATHARZVORQTOS-LJQANCHMSA-N 0 1 314.392 3.725 20 30 DHEDMN COc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)c(Cl)c1 ZINC000618742590 1021502578 /nfs/dbraw/zinc/50/25/78/1021502578.db2.gz ZLPXPFOXQWZTCD-GOSISDBHSA-N 0 1 312.800 3.997 20 30 DHEDMN C=CCN(CC(=O)Nc1sccc1C#N)CC1CCCCC1 ZINC000069859754 1021571586 /nfs/dbraw/zinc/57/15/86/1021571586.db2.gz VPIMVDNTJSCPRV-UHFFFAOYSA-N 0 1 317.458 3.627 20 30 DHEDMN CC1(C)CC[C@H]1C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000850759393 1021641767 /nfs/dbraw/zinc/64/17/67/1021641767.db2.gz IHDUEBNWSQWPKT-CVEARBPZSA-N 0 1 320.392 3.923 20 30 DHEDMN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000850761162 1021642212 /nfs/dbraw/zinc/64/22/12/1021642212.db2.gz IBICOHZTGYUCNS-VJHAZISPSA-N 0 1 324.424 3.894 20 30 DHEDMN Cc1n[nH]cc1C1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000556519976 1021753953 /nfs/dbraw/zinc/75/39/53/1021753953.db2.gz PRHYTUSCFTZTME-UHFFFAOYSA-N 0 1 314.820 3.623 20 30 DHEDMN Cc1cc(C#N)ccc1CSc1nc(Cc2ccccc2)n[nH]1 ZINC000619461018 1021761981 /nfs/dbraw/zinc/76/19/81/1021761981.db2.gz VBZUQUPXAUBXTG-UHFFFAOYSA-N 0 1 320.421 3.868 20 30 DHEDMN N#Cc1ccc2c(c1)CC[C@H]2Nc1cc[nH+]c2c([O-])cccc12 ZINC000619498475 1021773159 /nfs/dbraw/zinc/77/31/59/1021773159.db2.gz LDHCSDKLQKQLGH-MRXNPFEDSA-N 0 1 301.349 3.911 20 30 DHEDMN CC(=O)CC(C)=Nc1cc(Cl)nc(Cc2ccccc2)n1 ZINC001155890403 1021802240 /nfs/dbraw/zinc/80/22/40/1021802240.db2.gz PFHGXQYEIWLTOJ-FLIBITNWSA-N 0 1 301.777 3.626 20 30 DHEDMN CCOc1ccc(O)c(C=NCc2nc3ccc(C)cc3[nH]2)c1 ZINC000745976071 1021815724 /nfs/dbraw/zinc/81/57/24/1021815724.db2.gz FVAGQEJCSRAZEL-GRSHGNNSSA-N 0 1 309.369 3.595 20 30 DHEDMN CC(C)n1cc([C@@H](C)NCc2ccc(C#N)c(Cl)c2)cn1 ZINC000619755611 1021861783 /nfs/dbraw/zinc/86/17/83/1021861783.db2.gz NISGFNRJNPFZEA-GFCCVEGCSA-N 0 1 302.809 3.840 20 30 DHEDMN C[C@H](C#N)Oc1ccc(CNCc2ccc([C@@H]3C[C@H]3C)o2)cc1 ZINC000728712101 1021864034 /nfs/dbraw/zinc/86/40/34/1021864034.db2.gz ZUSNVQHRYAKDNN-HBUWYVDXSA-N 0 1 310.397 3.984 20 30 DHEDMN CC[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(F)cn1 ZINC000619755645 1021864637 /nfs/dbraw/zinc/86/46/37/1021864637.db2.gz OILSTFDOCKMUPW-HNNXBMFYSA-N 0 1 303.768 3.987 20 30 DHEDMN COc1ccc(C)cc1CNCc1ccc(O[C@H](C)C#N)cc1 ZINC000728711829 1021879019 /nfs/dbraw/zinc/87/90/19/1021879019.db2.gz LTQDBIKEEUWAAR-OAHLLOKOSA-N 0 1 310.397 3.584 20 30 DHEDMN CC#CCCSc1nc(-c2ccccc2Br)n[nH]1 ZINC000155089292 1021906032 /nfs/dbraw/zinc/90/60/32/1021906032.db2.gz JVYGSDJTQPAPSE-UHFFFAOYSA-N 0 1 322.231 3.740 20 30 DHEDMN N#CC(C(=O)Cc1cc2ccccc2o1)c1nc2ccccc2[nH]1 ZINC000920103242 1022044684 /nfs/dbraw/zinc/04/46/84/1022044684.db2.gz ROMJNGPZWLECPH-CQSZACIVSA-N 0 1 315.332 3.728 20 30 DHEDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OCC#Cc1ccccc1 ZINC000920118089 1022048330 /nfs/dbraw/zinc/04/83/30/1022048330.db2.gz PILLWXYNYKXXMQ-UHFFFAOYSA-N 0 1 316.360 3.594 20 30 DHEDMN C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccccc1[C@@H](C)CC ZINC000852098044 1022073158 /nfs/dbraw/zinc/07/31/58/1022073158.db2.gz DHLQFARQPBBAPM-YZVOILCLSA-N 0 1 300.446 3.919 20 30 DHEDMN C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1c(CC)cccc1CC ZINC000852099318 1022076655 /nfs/dbraw/zinc/07/66/55/1022076655.db2.gz JTAIGSPMERHBOX-KUHUBIRLSA-N 0 1 300.446 3.530 20 30 DHEDMN CC(N=Nc1cc(F)cc(F)c1)c1nc2ccccc2n1C ZINC000920374707 1022111153 /nfs/dbraw/zinc/11/11/53/1022111153.db2.gz ITHAMEBORFLOTK-UHFFFAOYSA-N 0 1 300.312 3.688 20 30 DHEDMN CCN(CC)CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000920447315 1022123451 /nfs/dbraw/zinc/12/34/51/1022123451.db2.gz GCOWPJKFTKLFBR-LJQANCHMSA-N 0 1 321.424 3.622 20 30 DHEDMN CCCCCCC[C@@H](C)CNC(=O)c1cc(C(C)(C)N)no1 ZINC000852819312 1022181374 /nfs/dbraw/zinc/18/13/74/1022181374.db2.gz BBVZZLYFJXELMC-CYBMUJFWSA-N 0 1 309.454 3.595 20 30 DHEDMN Cc1cc(Nc2ccc(C3(C#N)CC3)cc2)n(-c2ccncc2)n1 ZINC001212251604 1022200851 /nfs/dbraw/zinc/20/08/51/1022200851.db2.gz LVXXFDWILBDRAK-UHFFFAOYSA-N 0 1 315.380 3.875 20 30 DHEDMN COC(=O)c1ccc(CN=Nc2cccc(Cl)c2F)cc1 ZINC000921137752 1022218194 /nfs/dbraw/zinc/21/81/94/1022218194.db2.gz JUHVYXIFIAIWSN-UHFFFAOYSA-N 0 1 306.724 3.712 20 30 DHEDMN Cc1cc(O)cc2c1C(=O)/C(=C\c1ccc(O)c(Cl)c1)O2 ZINC000921269065 1022240747 /nfs/dbraw/zinc/24/07/47/1022240747.db2.gz IYNUMIBCHHYIOE-MKMNVTDBSA-N 0 1 302.713 3.676 20 30 DHEDMN CCC(N=Nc1ccnc(Cl)c1)c1ccc(OC)c(OC)c1 ZINC000853394471 1022267747 /nfs/dbraw/zinc/26/77/47/1022267747.db2.gz 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C#CCCOc1ccc(CNCc2cc(OC)ccc2F)cc1 ZINC000856800562 1022871428 /nfs/dbraw/zinc/87/14/28/1022871428.db2.gz DTDLRYDSZXAWNV-UHFFFAOYSA-N 0 1 313.372 3.526 20 30 DHEDMN C=C(C)[C@H](NCCO[C@@H]1CC1(F)F)c1ccc(F)c(F)c1 ZINC000660311387 1022892134 /nfs/dbraw/zinc/89/21/34/1022892134.db2.gz GYTSVEGLUHFFAS-KGLIPLIRSA-N 0 1 303.299 3.596 20 30 DHEDMN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@H](C)C[C@@H](C)C1 ZINC000014915095 1022927263 /nfs/dbraw/zinc/92/72/63/1022927263.db2.gz TYZOLTWLWPLTOQ-UPJWGTAASA-N 0 1 319.836 3.517 20 30 DHEDMN CC(C)c1ncc(C=NNc2cc(C#N)cc(Cl)n2)s1 ZINC000768377247 1022958582 /nfs/dbraw/zinc/95/85/82/1022958582.db2.gz YGLGACJFYWXCIC-UHFFFAOYSA-N 0 1 305.794 3.633 20 30 DHEDMN N#Cc1cc(Cl)nc(NN=Cc2cccc3cccnc23)c1 ZINC000768377362 1022960517 /nfs/dbraw/zinc/96/05/17/1022960517.db2.gz ZXZQXAHOOLBJHA-UHFFFAOYSA-N 0 1 307.744 3.601 20 30 DHEDMN N#Cc1ccc(CN2CCC[C@H]2COc2ccc(Cl)cc2)o1 ZINC000768791978 1023030016 /nfs/dbraw/zinc/03/00/16/1023030016.db2.gz JCHQPPPXRPSKQQ-AWEZNQCLSA-N 0 1 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QQRPIYBFWGQFJJ-UHFFFAOYSA-N 0 1 300.724 3.868 20 30 DHEDMN Cc1cccc(F)c1N=NC(C)c1ccc2c(c1)OCCO2 ZINC000769841057 1023225582 /nfs/dbraw/zinc/22/55/82/1023225582.db2.gz SQZACVLMSADAQM-UHFFFAOYSA-N 0 1 300.333 3.741 20 30 DHEDMN C=C(Cl)CN1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC000769939503 1023253036 /nfs/dbraw/zinc/25/30/36/1023253036.db2.gz DOUHMAGSZVZQSW-UHFFFAOYSA-N 0 1 316.873 3.708 20 30 DHEDMN CC[C@@H](C)CN(C)c1ccc(F)cc1C=NN[C@@H](C)CC#N ZINC000771883479 1023480714 /nfs/dbraw/zinc/48/07/14/1023480714.db2.gz CUOXZHDZBHXNHN-KGLIPLIRSA-N 0 1 304.413 3.534 20 30 DHEDMN C=C(Cl)CN(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000772577251 1023566835 /nfs/dbraw/zinc/56/68/35/1023566835.db2.gz HVCDVEPETLUQFO-UHFFFAOYSA-N 0 1 307.800 3.833 20 30 DHEDMN C=CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2OCC)C1 ZINC000661379394 1023584385 /nfs/dbraw/zinc/58/43/85/1023584385.db2.gz XXHBKDVRYCLTHQ-HZPDHXFCSA-N 0 1 316.445 3.700 20 30 DHEDMN C=CC[C@@H]1CCCN([C@H](C)C(=O)Nc2ccccc2OCC)C1 ZINC000661379394 1023584390 /nfs/dbraw/zinc/58/43/90/1023584390.db2.gz XXHBKDVRYCLTHQ-HZPDHXFCSA-N 0 1 316.445 3.700 20 30 DHEDMN C=CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2OCC)C1 ZINC000661379393 1023584437 /nfs/dbraw/zinc/58/44/37/1023584437.db2.gz XXHBKDVRYCLTHQ-HOTGVXAUSA-N 0 1 316.445 3.700 20 30 DHEDMN C=CC[C@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2OCC)C1 ZINC000661379393 1023584443 /nfs/dbraw/zinc/58/44/43/1023584443.db2.gz XXHBKDVRYCLTHQ-HOTGVXAUSA-N 0 1 316.445 3.700 20 30 DHEDMN C=CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2OCC)C1 ZINC000661379392 1023585052 /nfs/dbraw/zinc/58/50/52/1023585052.db2.gz XXHBKDVRYCLTHQ-CVEARBPZSA-N 0 1 316.445 3.700 20 30 DHEDMN C=CC[C@H]1CCCN([C@H](C)C(=O)Nc2ccccc2OCC)C1 ZINC000661379392 1023585053 /nfs/dbraw/zinc/58/50/53/1023585053.db2.gz XXHBKDVRYCLTHQ-CVEARBPZSA-N 0 1 316.445 3.700 20 30 DHEDMN C=CC[C@H]1CCCN(Cc2nc(-c3ccccc3F)no2)C1 ZINC000661386807 1023587167 /nfs/dbraw/zinc/58/71/67/1023587167.db2.gz UXQAJRKHUGTOAB-ZDUSSCGKSA-N 0 1 301.365 3.664 20 30 DHEDMN C=C[C@@](C)(CC)C(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000785591625 1023592115 /nfs/dbraw/zinc/59/21/15/1023592115.db2.gz FHKKGBUUZPCLRA-HWPZZCPQSA-N 0 1 305.809 3.996 20 30 DHEDMN COc1cc([N+](=O)[O-])ccc1N=NCc1cccc(Cl)c1 ZINC000746679740 1023792822 /nfs/dbraw/zinc/79/28/22/1023792822.db2.gz LKUMTERDTBZKQA-UHFFFAOYSA-N 0 1 305.721 3.703 20 30 DHEDMN C=CCOCc1nn(C)c2c1CN([C@H](C)CCCC(C)C)CC2 ZINC001170079658 1023830408 /nfs/dbraw/zinc/83/04/08/1023830408.db2.gz FYBVJXHBFWWPAI-MRXNPFEDSA-N 0 1 319.493 3.696 20 30 DHEDMN C=CC[N@H+](CC[C@@H](C(=O)[O-])c1ccccc1)Cc1cccs1 ZINC000652379490 1023832520 /nfs/dbraw/zinc/83/25/20/1023832520.db2.gz OASQUKPLCKKJSX-QGZVFWFLSA-N 0 1 315.438 3.995 20 30 DHEDMN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000662084880 1023890917 /nfs/dbraw/zinc/89/09/17/1023890917.db2.gz ABNGMUMYQRMPJB-XHSDSOJGSA-N 0 1 317.433 3.663 20 30 DHEDMN CCCCCCCCN[C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000788646791 1023913922 /nfs/dbraw/zinc/91/39/22/1023913922.db2.gz CXLJNISQONDAFI-KRWDZBQOSA-N 0 1 304.413 3.983 20 30 DHEDMN Cc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Cl)n1 ZINC000788699124 1023922443 /nfs/dbraw/zinc/92/24/43/1023922443.db2.gz SSTRQPUGABJLKF-UHFFFAOYSA-N 0 1 314.698 3.903 20 30 DHEDMN COc1cc2c(cc1F)CC[C@@H]2NCc1ccc(C#N)s1 ZINC000337789775 1033176627 /nfs/dbraw/zinc/17/66/27/1033176627.db2.gz APYVEUIUBRPBDS-HNNXBMFYSA-N 0 1 302.374 3.545 20 30 DHEDMN CCC(=NNc1ccc(C#N)cc1C(F)(F)F)c1cn[nH]c1 ZINC000789059519 1023980217 /nfs/dbraw/zinc/98/02/17/1023980217.db2.gz DKUWFFQRLMMTJT-UHFFFAOYSA-N 0 1 307.279 3.526 20 30 DHEDMN C=CCCC[C@@H](NC(=O)[C@@H](C)Cc1cnc[nH]1)c1ccccc1 ZINC000882235534 1024007551 /nfs/dbraw/zinc/00/75/51/1024007551.db2.gz RCKSQTWHMQQCCW-MAUKXSAKSA-N 0 1 311.429 3.802 20 30 DHEDMN CCCCCCNC(=O)[C@H](C#N)C(=O)[C@H]1CCCCC1(C)C ZINC000789404672 1024074449 /nfs/dbraw/zinc/07/44/49/1024074449.db2.gz YLYWNSIYGKNRBY-HUUCEWRRSA-N 0 1 306.450 3.608 20 30 DHEDMN COc1cc(Br)ccc1CN=Nc1ncccc1C ZINC000790185197 1024237021 /nfs/dbraw/zinc/23/70/21/1024237021.db2.gz JHSVTAHZOINVDE-UHFFFAOYSA-N 0 1 320.190 3.607 20 30 DHEDMN Cc1cccnc1NN=Cc1ccc(Br)cc1C ZINC000790190330 1024238428 /nfs/dbraw/zinc/23/84/28/1024238428.db2.gz JFIOYZNUHOGCSD-UHFFFAOYSA-N 0 1 304.191 3.907 20 30 DHEDMN Cc1ccc[nH+]c1[N-]N=C1COc2cc(Cl)cc(Cl)c21 ZINC000790193117 1024241450 /nfs/dbraw/zinc/24/14/50/1024241450.db2.gz UADSMHBHRFHQHI-UHFFFAOYSA-N 0 1 308.168 3.905 20 30 DHEDMN Cc1cccnc1N=NC1CCOc2c(C)cc(Cl)cc21 ZINC000790194008 1024243017 /nfs/dbraw/zinc/24/30/17/1024243017.db2.gz SSGHPYDCZZEJTF-UHFFFAOYSA-N 0 1 301.777 3.951 20 30 DHEDMN C=CCC[C@H](NCc1nc(C)c2ccccc2n1)[C@@H]1CCCO1 ZINC000883184032 1024274814 /nfs/dbraw/zinc/27/48/14/1024274814.db2.gz NXWRFSIIANGBSC-ROUUACIJSA-N 0 1 311.429 3.542 20 30 DHEDMN CC(=NNc1nccn1C)c1cc(Cl)ccc1OC(F)F ZINC000790300209 1024275719 /nfs/dbraw/zinc/27/57/19/1024275719.db2.gz OZAFBFIXITYCHF-UHFFFAOYSA-N 0 1 314.723 3.511 20 30 DHEDMN C=CCC[C@@H](NCc1coc(CC)n1)[C@@H]1Cc2ccccc2O1 ZINC000883227055 1024300810 /nfs/dbraw/zinc/30/08/10/1024300810.db2.gz KJINHBHKNSVYCG-AEFFLSMTSA-N 0 1 312.413 3.665 20 30 DHEDMN C#CCCCN(CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000271072577 1024452010 /nfs/dbraw/zinc/45/20/10/1024452010.db2.gz WBQDYGJMALTYQQ-UHFFFAOYSA-N 0 1 313.228 3.667 20 30 DHEDMN N#Cc1ccc(CNC2(c3ccccc3)CCC2)c([N+](=O)[O-])c1 ZINC000569127865 1024483807 /nfs/dbraw/zinc/48/38/07/1024483807.db2.gz HVFYUVDHUXNJSS-UHFFFAOYSA-N 0 1 307.353 3.635 20 30 DHEDMN C[N@H+]1CC[C@H](Nc2snc(Cl)c2C#N)[C@@H]1c1ccccc1 ZINC000271312103 1024486377 /nfs/dbraw/zinc/48/63/77/1024486377.db2.gz IVGCSKIUPLVNQZ-STQMWFEESA-N 0 1 318.833 3.525 20 30 DHEDMN CN1CC[C@H](Nc2snc(Cl)c2C#N)[C@@H]1c1ccccc1 ZINC000271312103 1024486388 /nfs/dbraw/zinc/48/63/88/1024486388.db2.gz IVGCSKIUPLVNQZ-STQMWFEESA-N 0 1 318.833 3.525 20 30 DHEDMN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(F)cc1Br ZINC000453377687 1024494772 /nfs/dbraw/zinc/49/47/72/1024494772.db2.gz YHFLUIHWIQUTME-FZZIBODNSA-N 0 1 314.198 3.582 20 30 DHEDMN C=C(C)CN(CC)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000102681368 1024538391 /nfs/dbraw/zinc/53/83/91/1024538391.db2.gz HZHHVASUFNBSGC-GFCCVEGCSA-N 0 1 316.361 3.604 20 30 DHEDMN C=C(Cl)COc1ccc([C@H](C)NCc2c[nH]nc2C)cc1 ZINC000271571397 1024543205 /nfs/dbraw/zinc/54/32/05/1024543205.db2.gz ZFHRCQSDWYXPLR-LBPRGKRZSA-N 0 1 305.809 3.700 20 30 DHEDMN COc1ccc([C@H](C)NCc2ccc(C#N)cc2OC)cc1F ZINC000182011309 1024558154 /nfs/dbraw/zinc/55/81/54/1024558154.db2.gz YOQGBTOQRZZFNA-LBPRGKRZSA-N 0 1 314.360 3.565 20 30 DHEDMN C[C@H](c1ccc(C(=O)C(C#N)c2ccncn2)cc1)C(F)(F)F ZINC000453751865 1024586879 /nfs/dbraw/zinc/58/68/79/1024586879.db2.gz PQHSBCYPMKHZRD-MFKMUULPSA-N 0 1 319.286 3.632 20 30 DHEDMN C=C(Br)CNCc1ccc(C)c(Br)c1 ZINC000163050002 1024602737 /nfs/dbraw/zinc/60/27/37/1024602737.db2.gz HICWVWASVYTZJB-UHFFFAOYSA-N 0 1 319.040 3.756 20 30 DHEDMN CC(C)(C)c1ncc(CNCc2ccc(C#N)c(Cl)c2)cn1 ZINC000585767651 1024604441 /nfs/dbraw/zinc/60/44/41/1024604441.db2.gz CQXCJJLNOMIPHS-UHFFFAOYSA-N 0 1 314.820 3.589 20 30 DHEDMN N#C[C@H](C(=O)CCCc1ccsc1)c1cnc2ccccc2n1 ZINC000792103686 1024625009 /nfs/dbraw/zinc/62/50/09/1024625009.db2.gz KQXFSJFJVSMFDJ-AWEZNQCLSA-N 0 1 321.405 3.890 20 30 DHEDMN N#CC(=C(O)C=C1CCSCC1)c1nccc2ccccc21 ZINC000792101557 1024625462 /nfs/dbraw/zinc/62/54/62/1024625462.db2.gz OAWDDMJEVOJNJC-MRXNPFEDSA-N 0 1 308.406 3.864 20 30 DHEDMN N#C[C@@H](C(=O)C=Cc1ccccc1F)c1cnc2ccccc2n1 ZINC000792110764 1024626245 /nfs/dbraw/zinc/62/62/45/1024626245.db2.gz UHDSMUOHNCIDIR-CFYYFVFUSA-N 0 1 317.323 3.659 20 30 DHEDMN N#CC(C(=O)C=Cc1ccccc1F)c1cnc2ccccc2n1 ZINC000792110764 1024626250 /nfs/dbraw/zinc/62/62/50/1024626250.db2.gz UHDSMUOHNCIDIR-CFYYFVFUSA-N 0 1 317.323 3.659 20 30 DHEDMN N#CC(C(=O)C=Cc1ccsc1)c1cnc2ccccc2n1 ZINC000792099956 1024626397 /nfs/dbraw/zinc/62/63/97/1024626397.db2.gz KBYCAVHBRYRSMT-URWSZGRFSA-N 0 1 305.362 3.581 20 30 DHEDMN N#CC(=C(O)C=Cc1ccsc1)c1cnc2ccccc2n1 ZINC000792099956 1024626401 /nfs/dbraw/zinc/62/64/01/1024626401.db2.gz KBYCAVHBRYRSMT-URWSZGRFSA-N 0 1 305.362 3.581 20 30 DHEDMN N#C[C@H](C(=O)C=Cc1ccccc1F)c1cnc2ccccc2n1 ZINC000792110766 1024626865 /nfs/dbraw/zinc/62/68/65/1024626865.db2.gz UHDSMUOHNCIDIR-HBWSCVEGSA-N 0 1 317.323 3.659 20 30 DHEDMN N#CC(C(=O)C=Cc1ccccc1F)c1cnc2ccccc2n1 ZINC000792110766 1024626872 /nfs/dbraw/zinc/62/68/72/1024626872.db2.gz UHDSMUOHNCIDIR-HBWSCVEGSA-N 0 1 317.323 3.659 20 30 DHEDMN N#CC(C(=O)Cc1ccc(F)cc1)c1nccc2ccccc21 ZINC000792092938 1024630218 /nfs/dbraw/zinc/63/02/18/1024630218.db2.gz FMMBJIQIEPRUHF-KRWDZBQOSA-N 0 1 304.324 3.793 20 30 DHEDMN C[C@@H](CCCC#N)N1CCc2cccc(Br)c2C1 ZINC001172495570 1033225790 /nfs/dbraw/zinc/22/57/90/1033225790.db2.gz FUGAHEWYUIQYBD-LBPRGKRZSA-N 0 1 307.235 3.890 20 30 DHEDMN CCc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000127450964 1024667167 /nfs/dbraw/zinc/66/71/67/1024667167.db2.gz ZYGWSIUTDPTCDJ-GJZGRUSLSA-N 0 1 321.424 3.798 20 30 DHEDMN COc1ccc2c(c1)c1c(n2C)CCN([C@@H](C)CCCC#N)C1 ZINC001172500036 1033227741 /nfs/dbraw/zinc/22/77/41/1033227741.db2.gz IZSXSPHADYVHJT-AWEZNQCLSA-N 0 1 311.429 3.627 20 30 DHEDMN C[C@H](CCCC#N)N1CCO[C@](C)(c2ccc(Cl)cc2)C1 ZINC001172500363 1033228038 /nfs/dbraw/zinc/22/80/38/1033228038.db2.gz MYXFKDXVPAWVMQ-PBHICJAKSA-N 0 1 306.837 3.970 20 30 DHEDMN Oc1c(Cl)cc(Cl)cc1/C=N/CCc1nccs1 ZINC000050234233 1024691168 /nfs/dbraw/zinc/69/11/68/1024691168.db2.gz KKBPBUSNCHWFJC-VIZOYTHASA-N 0 1 301.198 3.817 20 30 DHEDMN CCOC(=O)C[C@H](C)C/N=C/c1cc(Cl)cc(Cl)c1O ZINC000760229989 1024770244 /nfs/dbraw/zinc/77/02/44/1024770244.db2.gz UZXFMZOXOXSCEX-PCYPHTAMSA-N 0 1 318.200 3.707 20 30 DHEDMN CC[C@H]1CCCN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000350060146 1024785828 /nfs/dbraw/zinc/78/58/28/1024785828.db2.gz OZXKBGWKJLFMIP-HNNXBMFYSA-N 0 1 309.413 3.612 20 30 DHEDMN C=C(C)CN(Cc1cc(-c2cnn(C)c2)no1)Cc1ccccc1 ZINC000279213890 1024793827 /nfs/dbraw/zinc/79/38/27/1024793827.db2.gz CDMUYFZIXQLMPW-UHFFFAOYSA-N 0 1 322.412 3.653 20 30 DHEDMN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1ccccc1Cl ZINC000073618153 1024854082 /nfs/dbraw/zinc/85/40/82/1024854082.db2.gz RJXRCCWHUOHIKU-UONOGXRCSA-N 0 1 306.837 3.580 20 30 DHEDMN CC[C@H](C)n1nc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cc1C ZINC000350915681 1024863973 /nfs/dbraw/zinc/86/39/73/1024863973.db2.gz AXIASOFLPQTGBO-WCQYABFASA-N 0 1 321.384 3.529 20 30 DHEDMN CC[C@H](C)n1nc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)cc1C ZINC000350915681 1024863988 /nfs/dbraw/zinc/86/39/88/1024863988.db2.gz AXIASOFLPQTGBO-WCQYABFASA-N 0 1 321.384 3.529 20 30 DHEDMN Cc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1C ZINC000127591551 1024895200 /nfs/dbraw/zinc/89/52/00/1024895200.db2.gz SYBFKIULMPIGFD-CVEARBPZSA-N 0 1 321.424 3.853 20 30 DHEDMN C=CCCCN(C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000117870864 1024903561 /nfs/dbraw/zinc/90/35/61/1024903561.db2.gz HLGIRFDUQBGDES-UHFFFAOYSA-N 0 1 300.324 3.542 20 30 DHEDMN CCCCCCCN1CCC[C@]12CCN(CC(F)(F)F)C2=O ZINC001275111930 1024918171 /nfs/dbraw/zinc/91/81/71/1024918171.db2.gz TWENSYGEXDYGFW-OAHLLOKOSA-N 0 1 320.399 3.586 20 30 DHEDMN Fc1cc(C=NNc2cccc(Cl)n2)ccc1OC(F)F ZINC000793174689 1024921343 /nfs/dbraw/zinc/92/13/43/1024921343.db2.gz MVGSOJAZFYWDNY-UHFFFAOYSA-N 0 1 315.682 3.922 20 30 DHEDMN Cc1ncc(C=NNc2cccc(Cl)n2)n1-c1ccccc1 ZINC000793175492 1024924830 /nfs/dbraw/zinc/92/48/30/1024924830.db2.gz WIHQGLKTJWAXKB-UHFFFAOYSA-N 0 1 311.776 3.675 20 30 DHEDMN C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000793231832 1024943858 /nfs/dbraw/zinc/94/38/58/1024943858.db2.gz RBYAPYRGAVWYPP-TYNCELHUSA-N 0 1 312.335 3.750 20 30 DHEDMN Cc1cc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)co1 ZINC000187268849 1024986514 /nfs/dbraw/zinc/98/65/14/1024986514.db2.gz XHBMHQFTKGRJTP-LLVKDONJSA-N 0 1 315.279 3.823 20 30 DHEDMN C=C(Br)CNCc1ccc(OC(F)(F)F)cc1 ZINC000134402240 1025112879 /nfs/dbraw/zinc/11/28/79/1025112879.db2.gz TVLOQCRQUJXSTB-UHFFFAOYSA-N 0 1 310.113 3.583 20 30 DHEDMN N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CCOc3c(F)cccc31)CC2 ZINC000353599248 1025145666 /nfs/dbraw/zinc/14/56/66/1025145666.db2.gz WNQKAUUXDBXACW-ZWKOTPCHSA-N 0 1 308.356 3.798 20 30 DHEDMN C=CCOc1ccc(C[N@@H+]2CCC[C@@](C)(O)CC2)cc1Cl ZINC000279703676 1025159106 /nfs/dbraw/zinc/15/91/06/1025159106.db2.gz RNBRLGOPLACXFL-QGZVFWFLSA-N 0 1 309.837 3.642 20 30 DHEDMN N#Cc1ccc2[nH]cc(C=NNc3cc(F)c(F)cc3F)c2c1 ZINC000760259184 1025211830 /nfs/dbraw/zinc/21/18/30/1025211830.db2.gz RAJNBBMUYMLZSQ-UHFFFAOYSA-N 0 1 314.270 3.903 20 30 DHEDMN C=CCc1cc(OC)cc(CN(C)Cc2ccccc2F)c1O ZINC000216157300 1025226352 /nfs/dbraw/zinc/22/63/52/1025226352.db2.gz MOUJFQGWBDFOER-UHFFFAOYSA-N 0 1 315.388 3.900 20 30 DHEDMN CCOc1cc2c(cc1CNCc1ccc(C#N)cc1)O[C@@H](C)C2 ZINC000053149189 1025280180 /nfs/dbraw/zinc/28/01/80/1025280180.db2.gz JRLRRPHKVCSXEH-AWEZNQCLSA-N 0 1 322.408 3.570 20 30 DHEDMN COc1c(O)cccc1CN[C@H](CCCC#N)c1ccccc1 ZINC000353912125 1025286778 /nfs/dbraw/zinc/28/67/78/1025286778.db2.gz DJGCUENILSWEFH-QGZVFWFLSA-N 0 1 310.397 3.926 20 30 DHEDMN N#CCCC[C@@H](NCc1cn2ccccc2n1)c1ccccc1 ZINC000353918001 1025291978 /nfs/dbraw/zinc/29/19/78/1025291978.db2.gz WQXCXFBYVDSBDO-GOSISDBHSA-N 0 1 304.397 3.859 20 30 DHEDMN N#Cc1cccc(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)c1 ZINC000053230128 1025344418 /nfs/dbraw/zinc/34/44/18/1025344418.db2.gz HPJCBHDDFLAMPY-FQEVSTJZSA-N 0 1 324.399 3.879 20 30 DHEDMN N#Cc1ccc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000015301006 1025373416 /nfs/dbraw/zinc/37/34/16/1025373416.db2.gz UOPJPSIMYAOJCN-SFHVURJKSA-N 0 1 320.392 3.667 20 30 DHEDMN Cc1csc(C(C#N)C(=O)c2cccc(OC(F)F)c2)n1 ZINC000041520158 1025409033 /nfs/dbraw/zinc/40/90/33/1025409033.db2.gz HEBFOTACGMMJQJ-LLVKDONJSA-N 0 1 308.309 3.543 20 30 DHEDMN COc1ccc(CN[C@H](C)c2cccc(C#N)c2)c(F)c1OC ZINC000886005901 1025434945 /nfs/dbraw/zinc/43/49/45/1025434945.db2.gz LAQSPAXPYVKVIH-GFCCVEGCSA-N 0 1 314.360 3.565 20 30 DHEDMN COc1ccc2c(c1)C[C@@H](N(CCC#N)Cc1ccccc1)C2 ZINC001168258663 1025467091 /nfs/dbraw/zinc/46/70/91/1025467091.db2.gz CKFKNVSAVKDHGF-IBGZPJMESA-N 0 1 306.409 3.578 20 30 DHEDMN C=C(C)CCN1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC000860048212 1033287770 /nfs/dbraw/zinc/28/77/70/1033287770.db2.gz RTJAIYPSXSNVQV-HUUCEWRRSA-N 0 1 310.235 3.523 20 30 DHEDMN CCCc1cc(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)ccn1 ZINC000355163081 1025619483 /nfs/dbraw/zinc/61/94/83/1025619483.db2.gz ARAAGMSVUPRKMV-HNNXBMFYSA-N 0 1 318.380 3.709 20 30 DHEDMN N#CC(C(=O)c1conc1C1CC1)c1nccc2ccccc21 ZINC000355402151 1025706727 /nfs/dbraw/zinc/70/67/27/1025706727.db2.gz AEAJPQCLMOOGET-AWEZNQCLSA-N 0 1 303.321 3.590 20 30 DHEDMN CN(C)Cc1ccc(NCc2cc(C#N)cs2)cc1Cl ZINC000355595426 1025779150 /nfs/dbraw/zinc/77/91/50/1025779150.db2.gz HDMDFWAMROVCSG-UHFFFAOYSA-N 0 1 305.834 3.947 20 30 DHEDMN Cc1ccncc1CN(C)Cc1cccc(OCCCC#N)c1 ZINC000355599154 1025781535 /nfs/dbraw/zinc/78/15/35/1025781535.db2.gz BSRXYPFYJCBPSQ-UHFFFAOYSA-N 0 1 309.413 3.705 20 30 DHEDMN Cc1nn(-c2ccccc2)c(CN2CCCC[C@H](C)C2)c1C#N ZINC000614209995 1025893210 /nfs/dbraw/zinc/89/32/10/1025893210.db2.gz FVBGJURIPWFTGZ-HNNXBMFYSA-N 0 1 308.429 3.674 20 30 DHEDMN COc1ccc(/C=C\C(=O)c2cc(F)ccc2O)c(C)c1OC ZINC000806573129 1025929144 /nfs/dbraw/zinc/92/91/44/1025929144.db2.gz FUJUUECRRPBZCB-DAXSKMNVSA-N 0 1 316.328 3.753 20 30 DHEDMN CO[C@]1(C)CCCN(Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356399766 1026039786 /nfs/dbraw/zinc/03/97/86/1026039786.db2.gz TUTIYYFNCKAMGZ-OAHLLOKOSA-N 0 1 312.335 3.578 20 30 DHEDMN N#C[C@H]1CC[C@@H](NCc2nc(-c3ccccc3F)cs2)C1 ZINC000356406494 1026041373 /nfs/dbraw/zinc/04/13/73/1026041373.db2.gz MQCACSPRNJOSLM-NWDGAFQWSA-N 0 1 301.390 3.731 20 30 DHEDMN COCCN(Cc1ccc(C#N)cc1Cl)[C@H]1CCCSC1 ZINC000433190890 1026082120 /nfs/dbraw/zinc/08/21/20/1026082120.db2.gz XMPLSPOJCPHYBS-HNNXBMFYSA-N 0 1 324.877 3.556 20 30 DHEDMN CC#CCCCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807838056 1026131846 /nfs/dbraw/zinc/13/18/46/1026131846.db2.gz JUMJPEVFLDPJIG-UHFFFAOYSA-N 0 1 300.185 3.509 20 30 DHEDMN Cc1cc(=NN=C(CCC(C)(C)C)c2cscn2)nc[nH]1 ZINC000807971040 1026153431 /nfs/dbraw/zinc/15/34/31/1026153431.db2.gz GSDBILRJRAJFAY-UHFFFAOYSA-N 0 1 303.435 3.884 20 30 DHEDMN CC(=NNc1cc(C)ccc1F)c1cccc(-n2ccnn2)c1 ZINC000807976198 1026180253 /nfs/dbraw/zinc/18/02/53/1026180253.db2.gz HRJPWDYJRQZYRH-UHFFFAOYSA-N 0 1 309.348 3.551 20 30 DHEDMN Cc1nnc(NCc2cc(Cl)cc(Cl)c2O)c(C#N)c1C ZINC000808086392 1026199438 /nfs/dbraw/zinc/19/94/38/1026199438.db2.gz BPTDKBNOTFHEPD-UHFFFAOYSA-N 0 1 323.183 3.590 20 30 DHEDMN Cc1nn(Cc2ccccc2)c(C)c1CN1CCC(C)(C#N)CC1 ZINC000356950659 1026241313 /nfs/dbraw/zinc/24/13/13/1026241313.db2.gz WZXTVDWIMPZMSP-UHFFFAOYSA-N 0 1 322.456 3.674 20 30 DHEDMN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)[C@H]1CC12CCCC2 ZINC000747480096 1026256530 /nfs/dbraw/zinc/25/65/30/1026256530.db2.gz QTTYSAIELXHHKB-UONOGXRCSA-N 0 1 316.788 3.568 20 30 DHEDMN C[C@@H](C1CCC1)N(C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000357026906 1026284742 /nfs/dbraw/zinc/28/47/42/1026284742.db2.gz RKIGKRXJLJAINN-HNNXBMFYSA-N 0 1 323.440 3.858 20 30 DHEDMN Cc1cc(C#N)ccc1CSc1nc(-c2ccccc2)n[nH]1 ZINC000614398218 1026291224 /nfs/dbraw/zinc/29/12/24/1026291224.db2.gz OVHOBYCJNZXADN-UHFFFAOYSA-N 0 1 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RGDPWSJVOUQLQV-HNNXBMFYSA-N 0 1 301.821 3.644 20 30 DHEDMN C#CCN(Cc1ccccc1)Cc1ccc(OCOCC)cc1 ZINC000809717524 1026603405 /nfs/dbraw/zinc/60/34/05/1026603405.db2.gz JLFWDPPVZWLPQO-UHFFFAOYSA-N 0 1 309.409 3.695 20 30 DHEDMN C#Cc1ccc(CN[C@@H](CC(=O)OC(C)C)c2ccccc2)cc1 ZINC000809762788 1026620344 /nfs/dbraw/zinc/62/03/44/1026620344.db2.gz AJVYOKQRFKZFLA-FQEVSTJZSA-N 0 1 321.420 3.841 20 30 DHEDMN CCOC(=O)c1ccc(C#N)c(-c2ccc(Cl)cc2O)c1 ZINC001244470301 1026632629 /nfs/dbraw/zinc/63/26/29/1026632629.db2.gz YPJBLDQSGYSKPV-UHFFFAOYSA-N 0 1 301.729 3.761 20 30 DHEDMN CC1(C)C2CCC1(C(=O)Nc1nc3ccc(C#N)cc3[nH]1)CC2 ZINC001131906557 1026634090 /nfs/dbraw/zinc/63/40/90/1026634090.db2.gz LWVRFFMAVVSXHV-UHFFFAOYSA-N 0 1 308.385 3.589 20 30 DHEDMN CC(=CC(=O)Nc1nc2ccc(C#N)cc2[nH]1)c1cccs1 ZINC001131906468 1026634140 /nfs/dbraw/zinc/63/41/40/1026634140.db2.gz IFUHHJOYZXWQEN-JXMROGBWSA-N 0 1 308.366 3.538 20 30 DHEDMN CCN(c1ccc(NCc2nc(C#N)cs2)cc1)C(C)C ZINC000810132134 1026685614 /nfs/dbraw/zinc/68/56/14/1026685614.db2.gz XCKPWQGGMGONEJ-UHFFFAOYSA-N 0 1 300.431 3.862 20 30 DHEDMN N#CC(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccccn1 ZINC000041493446 1026706428 /nfs/dbraw/zinc/70/64/28/1026706428.db2.gz JQGAWTFESKUUQA-GFCCVEGCSA-N 0 1 323.333 3.695 20 30 DHEDMN C=CC[C@@H](CO)C[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810230539 1026715459 /nfs/dbraw/zinc/71/54/59/1026715459.db2.gz WWTDZPCNAWZIJM-RISCZKNCSA-N 0 1 317.351 3.636 20 30 DHEDMN C[C@@H](NCc1ccc(C#N)cc1)c1ccc(Br)nc1 ZINC000810209571 1026718443 /nfs/dbraw/zinc/71/84/43/1026718443.db2.gz SETAKYKJAOAZTB-LLVKDONJSA-N 0 1 316.202 3.567 20 30 DHEDMN COc1ccc(CN2CCC[C@@H](CC(F)(F)F)C2)cc1C#N ZINC000420951165 1026889168 /nfs/dbraw/zinc/88/91/68/1026889168.db2.gz QOWWZRKLOJXARP-ZDUSSCGKSA-N 0 1 312.335 3.731 20 30 DHEDMN N#Cc1ccc(C2=CCN(CCOc3ccccc3F)CC2)cc1 ZINC000502492896 1026955483 /nfs/dbraw/zinc/95/54/83/1026955483.db2.gz BMTRFOIBDQEQQS-UHFFFAOYSA-N 0 1 322.383 3.865 20 30 DHEDMN C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1cc(C#N)cs1 ZINC000421371045 1026968069 /nfs/dbraw/zinc/96/80/69/1026968069.db2.gz ZXFHBPHPMQRULK-GXTWGEPZSA-N 0 1 320.458 3.562 20 30 DHEDMN C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1Cc1cc(C#N)cs1 ZINC000421371045 1026968073 /nfs/dbraw/zinc/96/80/73/1026968073.db2.gz ZXFHBPHPMQRULK-GXTWGEPZSA-N 0 1 320.458 3.562 20 30 DHEDMN CCCCCCCCCNC(=O)Cc1[nH]nc2ccccc21 ZINC000747703556 1026987744 /nfs/dbraw/zinc/98/77/44/1026987744.db2.gz XEUUJGTVOBRABO-UHFFFAOYSA-N 0 1 301.434 3.972 20 30 DHEDMN CC(=NOC/C=C\Cl)c1cc(Br)cc(F)c1O ZINC000811668230 1027058424 /nfs/dbraw/zinc/05/84/24/1027058424.db2.gz MAKNQNMSTVQLBX-HXPSRMRWSA-N 0 1 322.561 3.787 20 30 DHEDMN Cc1c([C@@H](C)NCc2ccc(C#N)s2)cccc1[N+](=O)[O-] ZINC000421884614 1027080176 /nfs/dbraw/zinc/08/01/76/1027080176.db2.gz QWCAMWJRJMNZHZ-LLVKDONJSA-N 0 1 301.371 3.687 20 30 DHEDMN CCS[C@@H]1CC[C@@H](N(C)Cc2cn3ccccc3c2C#N)C1 ZINC000362385318 1027176304 /nfs/dbraw/zinc/17/63/04/1027176304.db2.gz XABOCWNTNHNYRG-HZPDHXFCSA-N 0 1 313.470 3.917 20 30 DHEDMN N#Cc1cnnc(-c2ccccc2)c1N=C1CCC(C#N)CC1 ZINC001212859917 1027189720 /nfs/dbraw/zinc/18/97/20/1027189720.db2.gz VZWAOJVGVMRXBG-ZDUSSCGKSA-N 0 1 301.353 3.635 20 30 DHEDMN C=C(C)CN(CC)C(=O)CN1CC[C@H](C)C[C@H]1c1ccc(C)o1 ZINC000362433579 1027204006 /nfs/dbraw/zinc/20/40/06/1027204006.db2.gz FTMBJPBLTFKWDR-RDJZCZTQSA-N 0 1 318.461 3.786 20 30 DHEDMN CC(=NOC1CCC1)c1cc(Br)cc(F)c1O ZINC000812236329 1027217425 /nfs/dbraw/zinc/21/74/25/1027217425.db2.gz KTWFCJHHEJTYCB-UHFFFAOYSA-N 0 1 302.143 3.587 20 30 DHEDMN CC(=NNc1ccccn1)c1ccc(F)c(Br)c1 ZINC000812396813 1027269569 /nfs/dbraw/zinc/26/95/69/1027269569.db2.gz ZVVAZPPYUSTTHM-UHFFFAOYSA-N 0 1 308.154 3.819 20 30 DHEDMN Cc1nn(C(C)C)c(C)c1CNCc1ccc(C#N)c(Cl)c1 ZINC000894272205 1027275194 /nfs/dbraw/zinc/27/51/94/1027275194.db2.gz ZRJOUZSVINKRMA-UHFFFAOYSA-N 0 1 316.836 3.896 20 30 DHEDMN COc1cccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1O ZINC000362648676 1027332366 /nfs/dbraw/zinc/33/23/66/1027332366.db2.gz CMGHTRJMBUMIOI-QZTJIDSGSA-N 0 1 322.408 3.673 20 30 DHEDMN COc1cccc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1O ZINC000362648676 1027332386 /nfs/dbraw/zinc/33/23/86/1027332386.db2.gz CMGHTRJMBUMIOI-QZTJIDSGSA-N 0 1 322.408 3.673 20 30 DHEDMN N#Cc1cccc(CN2CCC[C@@H](Cc3nccs3)C2)c1F ZINC000932199882 1027409194 /nfs/dbraw/zinc/40/91/94/1027409194.db2.gz NOKLQKIYSCLODO-ZDUSSCGKSA-N 0 1 315.417 3.609 20 30 DHEDMN C=CCCOCCNCc1c(Cl)cc(Cl)cc1N(C)C ZINC000575840301 1027512223 /nfs/dbraw/zinc/51/22/23/1027512223.db2.gz NMYWZGCVGCPDRA-UHFFFAOYSA-N 0 1 317.260 3.742 20 30 DHEDMN CC[C@@H](NC(=O)C(C#N)C(=O)CCCC1CC1)c1ccccc1 ZINC000813091017 1027514706 /nfs/dbraw/zinc/51/47/06/1027514706.db2.gz SLUQCAGMJMTWJF-DLBZAZTESA-N 0 1 312.413 3.543 20 30 DHEDMN CCCCCCCC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000363085464 1027516560 /nfs/dbraw/zinc/51/65/60/1027516560.db2.gz DZUWRHBQAGUDAF-UHFFFAOYSA-N 0 1 317.477 3.523 20 30 DHEDMN CC(C)(CO)[C@@H](NCc1ccc(C#N)s1)c1cccs1 ZINC000296051078 1027528761 /nfs/dbraw/zinc/52/87/61/1027528761.db2.gz PPARIWNSQHDHHG-AWEZNQCLSA-N 0 1 306.456 3.531 20 30 DHEDMN N#CC(C(=O)[C@@H]1CCC(F)(F)C1)c1cc(C(F)(F)F)ccn1 ZINC000813212258 1027564186 /nfs/dbraw/zinc/56/41/86/1027564186.db2.gz AGHVWEAHFOEKOP-SCZZXKLOSA-N 0 1 318.245 3.712 20 30 DHEDMN N#C[C@@H](C(=O)C12CCC(CC1)C2)c1cc(C(F)(F)F)ccn1 ZINC000813211723 1027564869 /nfs/dbraw/zinc/56/48/69/1027564869.db2.gz OXASHGRFZIXOAV-WBFHCKIUSA-N 0 1 308.303 3.857 20 30 DHEDMN N#CC(C(=O)C=Cc1ccco1)c1cc(C(F)(F)F)ccn1 ZINC000813215357 1027566303 /nfs/dbraw/zinc/56/63/03/1027566303.db2.gz XJRRINRRPOFFFV-VSQXVHSFSA-N 0 1 306.243 3.583 20 30 DHEDMN N#C[C@@H](C(=O)Cc1cccs1)c1cc(C(F)(F)F)ccn1 ZINC000813216658 1027566504 /nfs/dbraw/zinc/56/65/04/1027566504.db2.gz WMKHFRKGFSOENO-LLVKDONJSA-N 0 1 310.300 3.581 20 30 DHEDMN C[C@@]1(Cc2cccs2)CCCN1Cc1nc(C#N)cs1 ZINC000932928345 1027651939 /nfs/dbraw/zinc/65/19/39/1027651939.db2.gz ZSSHFZYFXIKSDW-HNNXBMFYSA-N 0 1 303.456 3.673 20 30 DHEDMN C=C(C)CN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932939238 1027654384 /nfs/dbraw/zinc/65/43/84/1027654384.db2.gz DVUUQNAIPQZNGB-HTQZYQBOSA-N 0 1 323.227 3.665 20 30 DHEDMN C#CCC1(NCc2csc(-c3cccc(OC)c3)n2)CCC1 ZINC000933303645 1027712714 /nfs/dbraw/zinc/71/27/14/1027712714.db2.gz QRFPPCOJSVUENF-UHFFFAOYSA-N 0 1 312.438 3.854 20 30 DHEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3cnc(C(C)C)s3)[nH]c21 ZINC000448315614 1027724901 /nfs/dbraw/zinc/72/49/01/1027724901.db2.gz GESBHBPXMPJOKK-LLVKDONJSA-N 0 1 324.409 3.941 20 30 DHEDMN Cc1cccc(CN2CCN([C@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000527482405 1027725124 /nfs/dbraw/zinc/72/51/24/1027725124.db2.gz DKIDNMAHPBWPFV-GOSISDBHSA-N 0 1 319.452 3.746 20 30 DHEDMN CCN(CC#Cc1ccccc1Cl)CCc1nccs1 ZINC000159151702 1027737895 /nfs/dbraw/zinc/73/78/95/1027737895.db2.gz AAEJANLNTOXQSR-UHFFFAOYSA-N 0 1 304.846 3.713 20 30 DHEDMN C=CC1CCN(CC(=O)N[C@H](CC(C)C)c2ccccc2)CC1 ZINC000600684706 1027788712 /nfs/dbraw/zinc/78/87/12/1027788712.db2.gz LIHVJTKIQFUZRD-LJQANCHMSA-N 0 1 314.473 3.788 20 30 DHEDMN N#CC1(CNC[C@@H](O)Cc2ccc3ccccc3c2)CCCCC1 ZINC000600755836 1027815648 /nfs/dbraw/zinc/81/56/48/1027815648.db2.gz PMKAJTYSDCGLCJ-FQEVSTJZSA-N 0 1 322.452 3.807 20 30 DHEDMN CC(C)(CNC[C@@H](C#N)CCC#N)c1c(F)cccc1Cl ZINC000577812506 1027937930 /nfs/dbraw/zinc/93/79/30/1027937930.db2.gz MXMCBQILXBJFRO-GFCCVEGCSA-N 0 1 307.800 3.790 20 30 DHEDMN CC(C)(CNC[C@H](C#N)CCC#N)c1c(F)cccc1Cl ZINC000577812507 1027939309 /nfs/dbraw/zinc/93/93/09/1027939309.db2.gz MXMCBQILXBJFRO-LBPRGKRZSA-N 0 1 307.800 3.790 20 30 DHEDMN C[C@H]1CSCCCN1Cc1cc(Cl)ccc1OCC#N ZINC000934301128 1027955609 /nfs/dbraw/zinc/95/56/09/1027955609.db2.gz SXBKBMUQXVJBDZ-LBPRGKRZSA-N 0 1 310.850 3.570 20 30 DHEDMN COCCSCCCN1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000365504116 1027958936 /nfs/dbraw/zinc/95/89/36/1027958936.db2.gz ASPBFCZDYJHKRC-ROUUACIJSA-N 0 1 318.486 3.528 20 30 DHEDMN C=CCOc1ccccc1CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578083187 1028043326 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3.551 20 30 DHEDMN C=C(C)CN(CC)[C@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000216208864 333149377 /nfs/dbraw/zinc/14/93/77/333149377.db2.gz HDSGGFQNVVPYDD-CYBMUJFWSA-N 0 1 324.852 3.882 20 30 DHEDMN CC(C)C[C@@H](NCc1ccc(OCC#N)cc1)c1ccccn1 ZINC000180555469 333163137 /nfs/dbraw/zinc/16/31/37/333163137.db2.gz NIUYTZDFMCGXNR-LJQANCHMSA-N 0 1 309.413 3.861 20 30 DHEDMN CCN(CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C(C)C ZINC000108362426 333175758 /nfs/dbraw/zinc/17/57/58/333175758.db2.gz GIWQOIJHDYSGBN-AWEZNQCLSA-N 0 1 319.474 3.607 20 30 DHEDMN CC[C@@H](CC#N)N[C@@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000184087247 333191688 /nfs/dbraw/zinc/19/16/88/333191688.db2.gz UQJVVUKBUXWKQK-GJZGRUSLSA-N 0 1 301.434 3.809 20 30 DHEDMN N#C[C@@H]1CCC[C@@H](Nc2ccccc2CN2CCSCC2)C1 ZINC000185743522 333213272 /nfs/dbraw/zinc/21/32/72/333213272.db2.gz SXFGDSRWWZUQOW-NVXWUHKLSA-N 0 1 315.486 3.730 20 30 DHEDMN CC[C@@H]([NH2+]CCCCC#N)c1cc(Br)ccc1[O-] ZINC000186170383 333217605 /nfs/dbraw/zinc/21/76/05/333217605.db2.gz AXGIYRLUDNKPMS-CYBMUJFWSA-N 0 1 311.223 3.889 20 30 DHEDMN C=CC1CCN([C@@H](C)C(=O)Nc2ccc(SC)cc2)CC1 ZINC000111257529 333328145 /nfs/dbraw/zinc/32/81/45/333328145.db2.gz MBPGOQVYDRJSHV-ZDUSSCGKSA-N 0 1 304.459 3.634 20 30 DHEDMN C=CC1CCN([C@@H](C)C(=O)Nc2ccccc2OC(F)F)CC1 ZINC000111258192 333328180 /nfs/dbraw/zinc/32/81/80/333328180.db2.gz IEQISBJZKQUFAG-LBPRGKRZSA-N 0 1 324.371 3.513 20 30 DHEDMN C=CC1CCN(Cc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000111257886 333328275 /nfs/dbraw/zinc/32/82/75/333328275.db2.gz AURSTMUUDZBADZ-UHFFFAOYSA-N 0 1 303.793 3.788 20 30 DHEDMN C=CC[C@@H](C(=O)NCc1nc2ccc(C)cc2[nH]1)c1ccccc1 ZINC000188369251 333363820 /nfs/dbraw/zinc/36/38/20/333363820.db2.gz CPMUBYXILXPIQQ-MRXNPFEDSA-N 0 1 319.408 3.847 20 30 DHEDMN CCc1noc(C)c1CNCc1cccc(OCCCC#N)c1 ZINC000339436697 333525435 /nfs/dbraw/zinc/52/54/35/333525435.db2.gz OBCJQJOSORPAAL-UHFFFAOYSA-N 0 1 313.401 3.518 20 30 DHEDMN Cc1cc(-c2noc([C@H](C)NCCCCC#N)n2)ccc1F ZINC000264132368 333953187 /nfs/dbraw/zinc/95/31/87/333953187.db2.gz OREHVCMZTCMWJY-LBPRGKRZSA-N 0 1 302.353 3.529 20 30 DHEDMN Cc1cc(-c2noc([C@@H](C)NCCCCC#N)n2)ccc1F ZINC000264132366 333953223 /nfs/dbraw/zinc/95/32/23/333953223.db2.gz OREHVCMZTCMWJY-GFCCVEGCSA-N 0 1 302.353 3.529 20 30 DHEDMN COc1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)cc1OC ZINC000271913696 334028852 /nfs/dbraw/zinc/02/88/52/334028852.db2.gz FNSBSTGCVJGYQX-GFCCVEGCSA-N 0 1 314.360 3.565 20 30 DHEDMN C[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(C#N)c(F)c1 ZINC000272267954 334032328 /nfs/dbraw/zinc/03/23/28/334032328.db2.gz MUSSHGIBMIPESO-ZDUSSCGKSA-N 0 1 305.356 3.909 20 30 DHEDMN C[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000272271095 334032424 /nfs/dbraw/zinc/03/24/24/334032424.db2.gz NIHLBHIUBPUFCW-ZDUSSCGKSA-N 0 1 307.353 3.806 20 30 DHEDMN COCC[C@H](N[C@H](C)c1ccc(OCC#N)cc1)c1ccco1 ZINC000272577931 334037705 /nfs/dbraw/zinc/03/77/05/334037705.db2.gz QBQMXJPLHIAOHI-PBHICJAKSA-N 0 1 314.385 3.610 20 30 DHEDMN CC(C)(C)OC(=O)c1ccc(CN2CCC(C)(C#N)CC2)cc1 ZINC000272637468 334038373 /nfs/dbraw/zinc/03/83/73/334038373.db2.gz WZEUBIRCVHWJMG-UHFFFAOYSA-N 0 1 314.429 3.768 20 30 DHEDMN CC(C)C[C@H](N)c1noc(C(C)(C)Cc2ccc(C#N)cc2)n1 ZINC000414612020 334040949 /nfs/dbraw/zinc/04/09/49/334040949.db2.gz CPZFDQNGJFKQRV-HNNXBMFYSA-N 0 1 312.417 3.507 20 30 DHEDMN C=CCCN(C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000276511694 334080325 /nfs/dbraw/zinc/08/03/25/334080325.db2.gz XRAILXWVAAUAOC-AWEZNQCLSA-N 0 1 317.458 3.527 20 30 DHEDMN C=CCCN(C)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000276511701 334080332 /nfs/dbraw/zinc/08/03/32/334080332.db2.gz XRAILXWVAAUAOC-CQSZACIVSA-N 0 1 317.458 3.527 20 30 DHEDMN C[C@@H](NCc1ccc2c(n1)CCCC2)c1ccc(OCC#N)cc1 ZINC000278170525 334093346 /nfs/dbraw/zinc/09/33/46/334093346.db2.gz AZFDHFZOUGUTSF-OAHLLOKOSA-N 0 1 321.424 3.714 20 30 DHEDMN N#C[C@H]1CC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000278644844 334099201 /nfs/dbraw/zinc/09/92/01/334099201.db2.gz PHXAQDAPZBBCDH-XJKSGUPXSA-N 0 1 323.362 3.520 20 30 DHEDMN CC(C)(C#N)CCCCN1CCc2c(ncn2-c2ccccc2)C1 ZINC000278791723 334101220 /nfs/dbraw/zinc/10/12/20/334101220.db2.gz OCQLBYYEGUFRRS-UHFFFAOYSA-N 0 1 322.456 3.950 20 30 DHEDMN CSc1ccccc1C[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000281215281 334124025 /nfs/dbraw/zinc/12/40/25/334124025.db2.gz DLHPRIXJVGHIIZ-UHFFFAOYSA-N 0 1 318.486 3.941 20 30 DHEDMN N#CC1(CCCN2CCc3c(Cl)cccc3C2)CCOCC1 ZINC000282003652 334130362 /nfs/dbraw/zinc/13/03/62/334130362.db2.gz NUTDIOSYQQABJY-UHFFFAOYSA-N 0 1 318.848 3.799 20 30 DHEDMN COc1cc(CN(C)[C@@H]2CC[C@@H](C#N)C2)c(SC)cc1OC ZINC000293063040 334195473 /nfs/dbraw/zinc/19/54/73/334195473.db2.gz LFASQTCKOLADMH-TZMCWYRMSA-N 0 1 320.458 3.550 20 30 DHEDMN N#C[C@@]1(C(=O)Nc2cc(F)cc(Cl)c2O)CC12CCCC2 ZINC000294965137 334215103 /nfs/dbraw/zinc/21/51/03/334215103.db2.gz KJJKIHKIIJJZSK-OAHLLOKOSA-N 0 1 308.740 3.597 20 30 DHEDMN COc1ccc(CN2CC[C@@H](C(F)(F)F)C[C@H]2C)cc1C#N ZINC000295094321 334218441 /nfs/dbraw/zinc/21/84/41/334218441.db2.gz 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/nfs/dbraw/zinc/00/19/50/336001950.db2.gz CNLADMLZIPTEKH-LLVKDONJSA-N 0 1 307.235 3.941 20 30 DHEDMN CC(C)CCN(CCC#N)Cc1ccccc1-c1ccnn1C ZINC000351395549 336031942 /nfs/dbraw/zinc/03/19/42/336031942.db2.gz ICIIUYQXNUIMRC-UHFFFAOYSA-N 0 1 310.445 3.849 20 30 DHEDMN C[C@H](C(=O)Nc1nc2ccc(F)cc2n1C)N1CCCCCC1 ZINC000329774136 336080287 /nfs/dbraw/zinc/08/02/87/336080287.db2.gz LZRUCLXUSXXARO-GFCCVEGCSA-N 0 1 318.396 3.565 20 30 DHEDMN C[C@H](C(=O)NCc1nnc(C(C)(C)C)s1)N1CCCCCC1 ZINC000329836134 336087827 /nfs/dbraw/zinc/08/78/27/336087827.db2.gz HRZSYWQDHFYWQP-GFCCVEGCSA-N 0 1 324.494 3.557 20 30 DHEDMN C[C@H](Cn1cccn1)[NH+]=C([O-])N1CCCC2(CCCCC2)CC1 ZINC000329844200 336088587 /nfs/dbraw/zinc/08/85/87/336088587.db2.gz LFYUFUCSWIFGKO-MRXNPFEDSA-N 0 1 318.465 3.622 20 30 DHEDMN C[C@]1(C(=O)N[C@@H]2CCCc3cn[nH]c32)CCc2ccccc2C1 ZINC000330131495 336116516 /nfs/dbraw/zinc/11/65/16/336116516.db2.gz PRFPURXPJDDQOV-APWZRJJASA-N 0 1 309.413 3.939 20 30 DHEDMN CC(C)(C)c1csc(NC(=O)N[C@@H]2CCCc3cn[nH]c32)n1 ZINC000330147925 336118242 /nfs/dbraw/zinc/11/82/42/336118242.db2.gz LZBCJKKZQJINMM-SNVBAGLBSA-N 0 1 319.434 3.567 20 30 DHEDMN O=C(Nc1cc(Cl)c([O-])c(Cl)c1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330214957 336124948 /nfs/dbraw/zinc/12/49/48/336124948.db2.gz GOOIRBYUUOVGAM-GFCCVEGCSA-N 0 1 315.200 3.914 20 30 DHEDMN O=C(Nc1cc(Cl)c([O-])c(Cl)c1)[C@H]1CCC[N@H+]1C1CC1 ZINC000330214957 336124949 /nfs/dbraw/zinc/12/49/49/336124949.db2.gz GOOIRBYUUOVGAM-GFCCVEGCSA-N 0 1 315.200 3.914 20 30 DHEDMN CC(C)CC[C@@H]1CCCN1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000330228271 336127121 /nfs/dbraw/zinc/12/71/21/336127121.db2.gz POLNVYPBCCPPPR-GJZGRUSLSA-N 0 1 304.438 3.602 20 30 DHEDMN COc1c2ccccc2oc1CNC(=O)[C@@H]1CCCN1C1CC1 ZINC000330238204 336128439 /nfs/dbraw/zinc/12/84/39/336128439.db2.gz VDFWXVNMAJYMKU-AWEZNQCLSA-N 0 1 314.385 3.525 20 30 DHEDMN C=CC[C@H]1N(C(=O)c2ccc(-c3nnc[nH]3)cc2)CCCC1(C)C ZINC000332484793 336172876 /nfs/dbraw/zinc/17/28/76/336172876.db2.gz XSKUULCQFKTTAJ-MRXNPFEDSA-N 0 1 324.428 3.679 20 30 DHEDMN Cc1ccc(C)c([C@@H](C)N(C)CC(=O)Nc2ccc(C#N)cc2)c1 ZINC000532577700 336256250 /nfs/dbraw/zinc/25/62/50/336256250.db2.gz FCILFYJVZINJSX-MRXNPFEDSA-N 0 1 321.424 3.807 20 30 DHEDMN CC(C)C[C@@H]1OCCC[C@H]1NCc1ccc(Cl)cc1C#N ZINC000481752597 336278950 /nfs/dbraw/zinc/27/89/50/336278950.db2.gz WHKNSLIXBMLYTF-SJORKVTESA-N 0 1 306.837 3.895 20 30 DHEDMN N#Cc1cccnc1Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000301066688 336288209 /nfs/dbraw/zinc/28/82/09/336288209.db2.gz HFPXIZRRZHTTFG-UHFFFAOYSA-N 0 1 313.773 3.543 20 30 DHEDMN C[C@H](CNc1ccc(C#N)cc1F)N1CCc2sccc2C1 ZINC000301156814 336292435 /nfs/dbraw/zinc/29/24/35/336292435.db2.gz RSSAVXVBCHZKDY-GFCCVEGCSA-N 0 1 315.417 3.618 20 30 DHEDMN N#Cc1cc(Cl)ccc1NCCN1CCc2sccc2C1 ZINC000301215137 336295285 /nfs/dbraw/zinc/29/52/85/336295285.db2.gz XJVNEHIGQQROBH-UHFFFAOYSA-N 0 1 317.845 3.743 20 30 DHEDMN C=CCC[C@H](NCc1ccc(Cn2cncn2)cc1)c1ccco1 ZINC000353436564 336417854 /nfs/dbraw/zinc/41/78/54/336417854.db2.gz PFWUQVPWKQMCQS-SFHVURJKSA-N 0 1 322.412 3.717 20 30 DHEDMN CC1(C#N)CCN(Cc2ccccc2OCC(F)(F)F)CC1 ZINC000356429396 336549462 /nfs/dbraw/zinc/54/94/62/336549462.db2.gz CRAGOZYCJVBZON-UHFFFAOYSA-N 0 1 312.335 3.753 20 30 DHEDMN C[C@@H](NCc1ccccc1-n1cccn1)c1ccc(C#N)cc1F ZINC000358554440 336634321 /nfs/dbraw/zinc/63/43/21/336634321.db2.gz KFDVUIVNSNMFSU-CQSZACIVSA-N 0 1 320.371 3.734 20 30 DHEDMN CC(=O)Nc1ccc(CN[C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000358561827 336634659 /nfs/dbraw/zinc/63/46/59/336634659.db2.gz TVLIZUHUCYZUSL-GFCCVEGCSA-N 0 1 311.360 3.507 20 30 DHEDMN Cn1cc(CNC2(c3cccc(C(F)(F)F)c3)CC2)cc1C#N ZINC000359724081 336685047 /nfs/dbraw/zinc/68/50/47/336685047.db2.gz SZKMOPAYLNBFBQ-UHFFFAOYSA-N 0 1 319.330 3.694 20 30 DHEDMN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H](CO)c1ccsc1 ZINC000360884594 336725682 /nfs/dbraw/zinc/72/56/82/336725682.db2.gz PJSJIOKLHFXGER-QZTJIDSGSA-N 0 1 312.438 3.710 20 30 DHEDMN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(-c2cc[nH]n2)o1 ZINC000418136188 336897009 /nfs/dbraw/zinc/89/70/09/336897009.db2.gz AEXOVQBNMFNHAT-QGZVFWFLSA-N 0 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N#Cc1ccccc1-c1ccc(CN2CCO[C@H]3CCC[C@H]32)cc1 ZINC000430289500 338104519 /nfs/dbraw/zinc/10/45/19/338104519.db2.gz NEAAUDWLZBHVRN-RTWAWAEBSA-N 0 1 318.420 3.979 20 30 DHEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc3cc[nH]c3n2)s1 ZINC000430611725 338109811 /nfs/dbraw/zinc/10/98/11/338109811.db2.gz OYYFYQVZNTXGPU-NSHDSACASA-N 0 1 324.409 3.807 20 30 DHEDMN CC(=Cc1csc2ccccc12)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435337605 338237400 /nfs/dbraw/zinc/23/74/00/338237400.db2.gz WZMFKTCOIRGWNO-YFHOEESVSA-N 0 1 307.378 3.725 20 30 DHEDMN C=C(C)[C@H]1OCC[C@H]1CNc1ccnc2cc(F)c(OC)cc21 ZINC000435588288 338242956 /nfs/dbraw/zinc/24/29/56/338242956.db2.gz LKBOFQGTLDNWKR-KPZWWZAWSA-N 0 1 316.376 3.776 20 30 DHEDMN CCC(=O)c1ccc(O)c(NC(=O)[C@H](C)c2cccc(C#N)c2)c1 ZINC000436646176 338281397 /nfs/dbraw/zinc/28/13/97/338281397.db2.gz GGBVVRKGVKSPMB-GFCCVEGCSA-N 0 1 322.364 3.599 20 30 DHEDMN Fc1ccc(C#CCN(CCc2ccccc2)[C@H]2CCOC2)cc1 ZINC000438473225 338345037 /nfs/dbraw/zinc/34/50/37/338345037.db2.gz 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Cc1ccccc1[C@@H](C)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000485687897 339709288 /nfs/dbraw/zinc/70/92/88/339709288.db2.gz OIYIJFNHNXXSSL-NQIIRXRSSA-N 0 1 319.452 3.939 20 30 DHEDMN CN(CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)CC(C)(C)C#N ZINC000496812695 340013564 /nfs/dbraw/zinc/01/35/64/340013564.db2.gz UJMSFIYWNRMUFT-OAHLLOKOSA-N 0 1 323.481 3.505 20 30 DHEDMN C(#Cc1ccccc1)CN1CCC(N2CCc3ccccc32)CC1 ZINC000503407896 340127613 /nfs/dbraw/zinc/12/76/13/340127613.db2.gz FUZQNPKNCVZDPL-UHFFFAOYSA-N 0 1 316.448 3.565 20 30 DHEDMN C=CCCc1ccccc1NC(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000505010658 340158655 /nfs/dbraw/zinc/15/86/55/340158655.db2.gz JUHPKVQOSBQNGP-SFHVURJKSA-N 0 1 315.461 3.609 20 30 DHEDMN Fc1ccc(C#CCN2CC[C@H](COc3ccccc3)C2)cc1 ZINC000505843779 340179383 /nfs/dbraw/zinc/17/93/83/340179383.db2.gz BQEHBDOVYKCRTL-SFHVURJKSA-N 0 1 309.384 3.578 20 30 DHEDMN COc1ccc(CN(Cc2ccc(C#N)cc2)C(C)C)c(OC)c1 ZINC000507152577 340209725 /nfs/dbraw/zinc/20/97/25/340209725.db2.gz WGXFKAABRDRTEH-UHFFFAOYSA-N 0 1 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COc1cc(CN2CCC[C@@H](C(F)(F)F)[C@H]2C)ccc1C#N ZINC000442832965 1014744645 /nfs/dbraw/zinc/74/46/45/1014744645.db2.gz GRDCRGXLWSZONN-BXUZGUMPSA-N 0 1 312.335 3.730 20 30 DHEDMN COc1cc(CN2CCC[C@H](C(F)(F)F)[C@@H]2C)ccc1C#N ZINC000442832967 1014745851 /nfs/dbraw/zinc/74/58/51/1014745851.db2.gz GRDCRGXLWSZONN-FZMZJTMJSA-N 0 1 312.335 3.730 20 30 DHEDMN CCC[C@H]1[C@H](C)CCC[N@H+]1Cc1cccc(C(=O)[O-])c1C#N ZINC001595620123 981685818 /nfs/dbraw/zinc/68/58/18/981685818.db2.gz XGNRWXWKMAIVSY-DYVFJYSZSA-N 0 1 300.402 3.657 20 30 DHEDMN CCCCCCC[N@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC001595704810 982279561 /nfs/dbraw/zinc/27/95/61/982279561.db2.gz YYESMKRLQMDHAA-INIZCTEOSA-N 0 1 318.461 3.866 20 30 DHEDMN N#CC(C(=O)C=Cc1cccnc1)c1nc2ccccc2s1 ZINC000759181390 1014966302 /nfs/dbraw/zinc/96/63/02/1014966302.db2.gz BWNTZVSLMYXGIW-GWJCSSMESA-N 0 1 305.362 3.581 20 30 DHEDMN C=CCCC1(C(=O)NCCN2CC=C(C(C)(C)C)CC2)CC1 ZINC000581564284 1014998125 /nfs/dbraw/zinc/99/81/25/1014998125.db2.gz HFUAWOWICPGTFM-UHFFFAOYSA-N 0 1 304.478 3.527 20 30 DHEDMN Fc1ccc(C=NNc2ncccc2Cl)c2ncccc12 ZINC000759201453 1015020266 /nfs/dbraw/zinc/02/02/66/1015020266.db2.gz IHADRQPEYGVXLL-UHFFFAOYSA-N 0 1 300.724 3.868 20 30 DHEDMN C=CC[N@@H+](Cc1cc(C(=O)[O-])cs1)Cc1ccc(OC)cc1 ZINC001588832350 984321475 /nfs/dbraw/zinc/32/14/75/984321475.db2.gz FKIDKPDEHJPCND-UHFFFAOYSA-N 0 1 317.410 3.643 20 30 DHEDMN C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001588832734 984326016 /nfs/dbraw/zinc/32/60/16/984326016.db2.gz ODAGROBLHYBLLF-SFHVURJKSA-N 0 1 324.355 3.511 20 30 DHEDMN C[C@@H]1C[C@H](C)CCN(CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000443642158 1015059836 /nfs/dbraw/zinc/05/98/36/1015059836.db2.gz NGVPQPCNFVANNW-CHWSQXEVSA-N 0 1 319.836 3.518 20 30 DHEDMN C=CC[C@@H]1CCN(Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000625704426 1015159442 /nfs/dbraw/zinc/15/94/42/1015159442.db2.gz SIVKDECYXFUHFJ-GFCCVEGCSA-N 0 1 303.793 3.788 20 30 DHEDMN N#Cc1cccc(C2(N[C@@H]3CCc4c3cccc4[N+](=O)[O-])CC2)c1 ZINC000581676706 1015204421 /nfs/dbraw/zinc/20/44/21/1015204421.db2.gz FFULVWASGFGEHQ-QGZVFWFLSA-N 0 1 319.364 3.733 20 30 DHEDMN N#C[C@H](NC(=O)C(F)(F)c1cccc(Cl)c1Cl)C1CC1 ZINC000843570691 1015301905 /nfs/dbraw/zinc/30/19/05/1015301905.db2.gz KLVNNPDPMLHMHH-JTQLQIEISA-N 0 1 319.138 3.504 20 30 DHEDMN C[C@@H]([NH2+]Cc1cccc(C(=O)[O-])c1C#N)c1cc2ccccc2o1 ZINC001599841984 988856810 /nfs/dbraw/zinc/85/68/10/988856810.db2.gz WKMSZAZCWQJRIB-GFCCVEGCSA-N 0 1 320.348 3.853 20 30 DHEDMN CCN(Cc1cn(C)nc1C1CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000891657309 1015497697 /nfs/dbraw/zinc/49/76/97/1015497697.db2.gz UQVCPOIXLZRUIN-AWEZNQCLSA-N 0 1 308.429 3.752 20 30 DHEDMN CCN(C[C@@H](C)C#N)C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000891716652 1015562690 /nfs/dbraw/zinc/56/26/90/1015562690.db2.gz VIPRMBKBABWUBP-YJBOKZPZSA-N 0 1 323.481 3.505 20 30 DHEDMN C=CCOc1ccc(C(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000041540182 1015611234 /nfs/dbraw/zinc/61/12/34/1015611234.db2.gz GZUWUIIWJOKQDY-OAHLLOKOSA-N 0 1 318.332 3.883 20 30 DHEDMN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000329135865 1015646132 /nfs/dbraw/zinc/64/61/32/1015646132.db2.gz GOXZABHWMXWLQH-SWLSCSKDSA-N 0 1 318.465 3.526 20 30 DHEDMN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CC[C@H](C)C2(CCC2)C1 ZINC000329135865 1015646136 /nfs/dbraw/zinc/64/61/36/1015646136.db2.gz GOXZABHWMXWLQH-SWLSCSKDSA-N 0 1 318.465 3.526 20 30 DHEDMN COC(=O)c1cccc(N=NC(C)c2sc(C)nc2C)c1F ZINC000835019038 1015664289 /nfs/dbraw/zinc/66/42/89/1015664289.db2.gz LARAEISTKSUQPF-UHFFFAOYSA-N 0 1 321.377 3.522 20 30 DHEDMN CC(C)C[C@@]1(C)CCC[N@H+]1Cc1cccc(C(=O)[O-])c1C#N ZINC001591191581 992003634 /nfs/dbraw/zinc/00/36/34/992003634.db2.gz BZUNJFLJVYEQQR-GOSISDBHSA-N 0 1 300.402 3.657 20 30 DHEDMN CC(C)c1nnc(CNC(C)(C)Cc2ccc(C#N)cc2)s1 ZINC000896632050 1015687848 /nfs/dbraw/zinc/68/78/48/1015687848.db2.gz GVHGSULBIQZTEA-UHFFFAOYSA-N 0 1 314.458 3.644 20 30 DHEDMN CC(C)C[N@@H+](Cc1ccc(Cl)cc1C#N)CC(C)(C)C(=O)[O-] ZINC001591342516 992320663 /nfs/dbraw/zinc/32/06/63/992320663.db2.gz GFPUKJMTKOHFQH-UHFFFAOYSA-N 0 1 322.836 3.780 20 30 DHEDMN CC(C)(C)OCCCN1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000610682249 1015708016 /nfs/dbraw/zinc/70/80/16/1015708016.db2.gz IJGMEJBRRJBOLA-MSOLQXFVSA-N 0 1 300.446 3.963 20 30 DHEDMN N#Cc1cc(CN2CCC(Cc3ccc(F)cc3)CC2)ccn1 ZINC000610992149 1015996363 /nfs/dbraw/zinc/99/63/63/1015996363.db2.gz FTXYFOGCGNYLFZ-UHFFFAOYSA-N 0 1 309.388 3.547 20 30 DHEDMN C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccsc1C(=O)[O-] ZINC001593698745 996166683 /nfs/dbraw/zinc/16/66/83/996166683.db2.gz MQKCLFDIGOPAOQ-NSHDSACASA-N 0 1 300.383 3.511 20 30 DHEDMN COC[C@@H](NCc1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000342424930 1016395627 /nfs/dbraw/zinc/39/56/27/1016395627.db2.gz UDSLTINWSVZLGH-QGZVFWFLSA-N 0 1 300.789 3.689 20 30 DHEDMN COC[C@@H](NCc1ccc(C#N)c(F)c1)c1cccc(Cl)c1 ZINC000582205000 1016501386 /nfs/dbraw/zinc/50/13/86/1016501386.db2.gz SRTPNOCWLBAESS-QGZVFWFLSA-N 0 1 318.779 3.828 20 30 DHEDMN COc1ccc(CN2C[C@@H](C)C[C@H]2c2cccnc2)cc1C#N ZINC000347203422 1016782191 /nfs/dbraw/zinc/78/21/91/1016782191.db2.gz PNGDODOUTPJTJF-KSSFIOAISA-N 0 1 307.397 3.545 20 30 DHEDMN N#Cc1ccc([C@H](O)C[N@@H+]2CC=C(c3ccccc3F)CC2)cc1 ZINC000127749098 1016825460 /nfs/dbraw/zinc/82/54/60/1016825460.db2.gz JHCHOTZECBRXLW-HXUWFJFHSA-N 0 1 322.383 3.520 20 30 DHEDMN N#Cc1ccc([C@H](O)CN2CC=C(c3ccccc3F)CC2)cc1 ZINC000127749098 1016825472 /nfs/dbraw/zinc/82/54/72/1016825472.db2.gz JHCHOTZECBRXLW-HXUWFJFHSA-N 0 1 322.383 3.520 20 30 DHEDMN Cc1ccc(C(=O)/C=C\c2cc(F)c(O)c(F)c2)cc1[N+](=O)[O-] ZINC000255514129 1016939714 /nfs/dbraw/zinc/93/97/14/1016939714.db2.gz CJXYNAUGJUQUSC-HYXAFXHYSA-N 0 1 319.263 3.783 20 30 DHEDMN C#C[C@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000847026398 1032181906 /nfs/dbraw/zinc/18/19/06/1032181906.db2.gz YLZKMXHAGVBTMC-STQMWFEESA-N 0 1 315.804 3.796 20 30 DHEDMN C#C[C@H]1CCCN([C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000847026398 1032181913 /nfs/dbraw/zinc/18/19/13/1032181913.db2.gz YLZKMXHAGVBTMC-STQMWFEESA-N 0 1 315.804 3.796 20 30 DHEDMN Cc1ccc(N)cc1NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC001171274985 1032210661 /nfs/dbraw/zinc/21/06/61/1032210661.db2.gz LSVTXIWXHVILEI-UHFFFAOYSA-N 0 1 320.440 3.548 20 30 DHEDMN C=CCN(CC1CCCCC1)C(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC001146468708 1032222118 /nfs/dbraw/zinc/22/21/18/1032222118.db2.gz PQTPDJZKPGEZRY-KSSFIOAISA-N 0 1 315.461 3.671 20 30 DHEDMN N#CCC1CCN(CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)CC1 ZINC000639593276 1017246469 /nfs/dbraw/zinc/24/64/69/1017246469.db2.gz BQKQHEHVNMAFLB-OKILXGFUSA-N 0 1 316.367 3.550 20 30 DHEDMN Cc1c(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)ccn1C ZINC000684949968 1017079361 /nfs/dbraw/zinc/07/93/61/1017079361.db2.gz YUFNEALWTJFNBW-LBPRGKRZSA-N 0 1 301.415 3.578 20 30 DHEDMN CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2cncs2)c1 ZINC000772986068 1032365056 /nfs/dbraw/zinc/36/50/56/1032365056.db2.gz ZMJZONVJSNFFDQ-TZMCWYRMSA-N 0 1 301.415 3.675 20 30 DHEDMN C#CCOc1ccccc1CN[C@@H](C)c1ccc(Cl)nc1 ZINC000772987281 1032370577 /nfs/dbraw/zinc/37/05/77/1032370577.db2.gz 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ZINC000425472398 1012682188 /nfs/dbraw/zinc/68/21/88/1012682188.db2.gz IWNXQOBSPLZWMB-OAHLLOKOSA-N 0 1 306.450 3.657 20 30 DHEDMN C[C@@H]1CCCN(CCCC(C)(C)C#N)[C@H]1C(=O)OC(C)(C)C ZINC000425521619 1012726627 /nfs/dbraw/zinc/72/66/27/1012726627.db2.gz KKDFFNAPYSUNMO-HUUCEWRRSA-N 0 1 308.466 3.759 20 30 DHEDMN O=C(/C=C\c1cnn(-c2ccccc2)c1)c1ccc(O)c(F)c1 ZINC000255001128 1012733065 /nfs/dbraw/zinc/73/30/65/1012733065.db2.gz BLYOLTNXDVUOEJ-VURMDHGXSA-N 0 1 308.312 3.613 20 30 DHEDMN Cc1c(CN(C)[C@@H](C)c2cccc(C#N)c2)cccc1[N+](=O)[O-] ZINC000425540446 1012738679 /nfs/dbraw/zinc/73/86/79/1012738679.db2.gz VIKPVPZZJBMFEU-AWEZNQCLSA-N 0 1 309.369 3.968 20 30 DHEDMN N#CCC[C@@H](C#N)CNCC1(c2c(F)cccc2F)CCCC1 ZINC000517606366 1013023318 /nfs/dbraw/zinc/02/33/18/1013023318.db2.gz WEHSCKDVNPPGRT-AWEZNQCLSA-N 0 1 317.383 3.810 20 30 DHEDMN CCC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000340313477 1017169961 /nfs/dbraw/zinc/16/99/61/1017169961.db2.gz FKDBFNOFWGKWJY-INIZCTEOSA-N 0 1 321.424 3.797 20 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RCPPIWWHJQPVOK-LLVKDONJSA-N 0 1 302.727 3.986 20 30 DHEDMN C=CCC[C@H](NC[C@H](n1cccn1)C(F)(F)F)c1ccco1 ZINC000624043933 1017656607 /nfs/dbraw/zinc/65/66/07/1017656607.db2.gz CUVKISWBUZEMPG-JSGCOSHPSA-N 0 1 313.323 3.877 20 30 DHEDMN C=CC[C@@H]1N(Cc2nc(-c3ccco3)no2)CCCC1(C)C ZINC000444795135 1017684283 /nfs/dbraw/zinc/68/42/83/1017684283.db2.gz XGUURQAIHFFGCO-AWEZNQCLSA-N 0 1 301.390 3.896 20 30 DHEDMN C[C@@H]1c2c(F)cccc2CCN1CCOc1ccc(C#N)cc1 ZINC000523451086 1017692856 /nfs/dbraw/zinc/69/28/56/1017692856.db2.gz QLFXSTUCSACXLA-CQSZACIVSA-N 0 1 310.372 3.695 20 30 DHEDMN N#Cc1ccccc1OCCN1CCSC[C@@H]1c1ccccc1 ZINC000523791958 1017793330 /nfs/dbraw/zinc/79/33/30/1017793330.db2.gz ZCDVEOXBTGXOMO-GOSISDBHSA-N 0 1 324.449 3.727 20 30 DHEDMN C=CCCCN(C)Cc1coc(-c2ccc(C(=O)OC)cc2)n1 ZINC000182181348 1017872862 /nfs/dbraw/zinc/87/28/62/1017872862.db2.gz KGNWOLCDYVQBGO-UHFFFAOYSA-N 0 1 314.385 3.526 20 30 DHEDMN COc1cc(/C=C/C(=O)c2cccc(C)c2)cc([N+](=O)[O-])c1O ZINC000023164421 1018024913 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C#CC[N@H+](Cc1cc(OC)c(OC)cc1-c1ccccc1)C1CC1 ZINC000764682986 1018347677 /nfs/dbraw/zinc/34/76/77/1018347677.db2.gz NFNLWCHGBVZKHN-UHFFFAOYSA-N 0 1 321.420 3.968 20 30 DHEDMN N#C[C@H](C(=O)c1csc(-c2ccccc2)n1)c1ccccn1 ZINC000041493146 1018392797 /nfs/dbraw/zinc/39/27/97/1018392797.db2.gz YSFFCMFIPAZPCD-ZDUSSCGKSA-N 0 1 305.362 3.695 20 30 DHEDMN N#CC(C(=O)c1csc(-c2ccccc2)n1)c1ccccn1 ZINC000041493146 1018392805 /nfs/dbraw/zinc/39/28/05/1018392805.db2.gz YSFFCMFIPAZPCD-ZDUSSCGKSA-N 0 1 305.362 3.695 20 30 DHEDMN C=CCOc1ccc(CN(CC)Cc2ccoc2)cc1OC ZINC000092935891 1018421635 /nfs/dbraw/zinc/42/16/35/1018421635.db2.gz OQOOJEDHIOEIQW-UHFFFAOYSA-N 0 1 301.386 3.875 20 30 DHEDMN COc1ccc(Br)c(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000447560345 1018424689 /nfs/dbraw/zinc/42/46/89/1018424689.db2.gz CNCQBZQWOCYNOM-AAEUAGOBSA-N 0 1 323.234 3.630 20 30 DHEDMN C=CCCC[C@H](C)NC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000343257312 1018512390 /nfs/dbraw/zinc/51/23/90/1018512390.db2.gz FDIVZCBPVRONOD-WMZOPIPTSA-N 0 1 300.446 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DHEDMN CCN(CC)c1ccc(C=NNCc2ccc(C#N)cc2)cc1 ZINC000769820611 1023211339 /nfs/dbraw/zinc/21/13/39/1023211339.db2.gz JFOMADPBDCBKAD-UHFFFAOYSA-N 0 1 306.413 3.528 20 30 DHEDMN CCn1nc(C=NN=c2nc[nH]c3sccc32)c2ccccc21 ZINC000769779107 1023212163 /nfs/dbraw/zinc/21/21/63/1023212163.db2.gz ZQRFVNOAORPALF-UHFFFAOYSA-N 0 1 322.397 3.507 20 30 DHEDMN Brc1cc(N=NC2CCCc3ccccc32)ccn1 ZINC000769806049 1023217780 /nfs/dbraw/zinc/21/77/80/1023217780.db2.gz VHVQJHIRQFGRIG-UHFFFAOYSA-N 0 1 316.202 3.997 20 30 DHEDMN CC(C)(C)N1CC[C@@](F)(C(=O)OCCCCC2(C#N)CCC2)C1 ZINC000909335609 1023242732 /nfs/dbraw/zinc/24/27/32/1023242732.db2.gz RNBTWCAOPJSHRZ-SFHVURJKSA-N 0 1 324.440 3.606 20 30 DHEDMN C=CCN(CCc1ccco1)Cc1c(C)nn(C(C)C)c1C ZINC000893420117 1023478743 /nfs/dbraw/zinc/47/87/43/1023478743.db2.gz JBPRJLPWKYFPDZ-UHFFFAOYSA-N 0 1 301.434 3.905 20 30 DHEDMN C[C@@H](C(=O)OCc1ccc(Cl)cc1C#N)N1[C@H](C)CC[C@H]1C ZINC000772141279 1023519583 /nfs/dbraw/zinc/51/95/83/1023519583.db2.gz GBWPPFYNWGFXBW-UPJWGTAASA-N 0 1 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/nfs/dbraw/zinc/62/58/72/1024625872.db2.gz IRKAYLRDNURLNM-NEPJUHHUSA-N 0 1 305.164 3.605 20 30 DHEDMN N#C[C@H]1CC[C@H](Nc2cnc3cccc(Br)n23)CC1 ZINC001167845027 1024696764 /nfs/dbraw/zinc/69/67/64/1024696764.db2.gz MPMBYEWPOMYKJG-XYPYZODXSA-N 0 1 319.206 3.591 20 30 DHEDMN O=C1c2ccc(Cl)cc2C/C1=C/c1cc(O)ccc1[N+](=O)[O-] ZINC000772808815 1024736836 /nfs/dbraw/zinc/73/68/36/1024736836.db2.gz XICPJYLEWOYYLU-WDZFZDKYSA-N 0 1 315.712 3.776 20 30 DHEDMN N#CC1(c2ccccc2)CCC(N2CCc3ncccc3C2)CC1 ZINC001170389683 1024761139 /nfs/dbraw/zinc/76/11/39/1024761139.db2.gz YSXWZSVZKGNPKU-UHFFFAOYSA-N 0 1 317.436 3.844 20 30 DHEDMN C#CCOc1ccc(CN[C@H](CC)c2nc(C)cs2)cc1 ZINC000113338001 1024798447 /nfs/dbraw/zinc/79/84/47/1024798447.db2.gz MIWSXLNIMXWWBF-MRXNPFEDSA-N 0 1 300.427 3.704 20 30 DHEDMN COc1cc(F)c([C@H](C)NCc2ccc(C#N)cc2)cc1OC ZINC000114504308 1024816355 /nfs/dbraw/zinc/81/63/55/1024816355.db2.gz HFIJJHKKYXHQNE-LBPRGKRZSA-N 0 1 314.360 3.565 20 30 DHEDMN Cc1cc(CN=Nc2ccc(Br)cn2)c(C)s1 ZINC000760247551 1024854192 /nfs/dbraw/zinc/85/41/92/1024854192.db2.gz BYKQWBDPLVTFAK-UHFFFAOYSA-N 0 1 310.220 3.968 20 30 DHEDMN Cc1cccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(C#N)cc2)c1C ZINC000127590171 1024898063 /nfs/dbraw/zinc/89/80/63/1024898063.db2.gz BHZARJQOIVTNNB-HOTGVXAUSA-N 0 1 321.424 3.853 20 30 DHEDMN C[C@@H]1CN(Cc2ccccc2)CC1N=Nc1cccc(Cl)n1 ZINC000793161148 1024906191 /nfs/dbraw/zinc/90/61/91/1024906191.db2.gz IGWLCMFWEPXDMQ-CYBMUJFWSA-N 0 1 314.820 3.655 20 30 DHEDMN FC(F)(F)CCN1CCC(N=Nc2cccc(Cl)n2)CC1 ZINC000793162050 1024907360 /nfs/dbraw/zinc/90/73/60/1024907360.db2.gz PRKNKFWLPKQHEE-UHFFFAOYSA-N 0 1 320.746 3.551 20 30 DHEDMN COc1ccc2oc(C=NNc3cccc(Cl)n3)cc2c1 ZINC000793173585 1024922561 /nfs/dbraw/zinc/92/25/61/1024922561.db2.gz AYRMXDCJTOIRTR-UHFFFAOYSA-N 0 1 301.733 3.936 20 30 DHEDMN CCCCCCC[N@H+]1CCCC[C@]12CC(=O)N(CC(F)F)C2 ZINC001275113703 1024923364 /nfs/dbraw/zinc/92/33/64/1024923364.db2.gz HOFOMFZLEKYBSI-QGZVFWFLSA-N 0 1 316.436 3.679 20 30 DHEDMN CCCCCCC[N@H+]1CCCC[C@@]12CC(=O)N(CC(F)F)C2 ZINC001275113702 1024924728 /nfs/dbraw/zinc/92/47/28/1024924728.db2.gz HOFOMFZLEKYBSI-KRWDZBQOSA-N 0 1 316.436 3.679 20 30 DHEDMN O=[N+]([O-])c1ccc2c(c1)C(=NNc1cccc(Cl)n1)CCC2 ZINC000793180852 1024925921 /nfs/dbraw/zinc/92/59/21/1024925921.db2.gz BVWYKRDZAKOUNI-UHFFFAOYSA-N 0 1 316.748 3.796 20 30 DHEDMN C#CCCCCCCN[C@H](c1nccn1C)c1ccc(F)cc1 ZINC000877145813 1033254763 /nfs/dbraw/zinc/25/47/63/1033254763.db2.gz ORHFDVVZZZRABM-SFHVURJKSA-N 0 1 313.420 3.822 20 30 DHEDMN COc1cc(CN[C@H](C)c2cnn(C3CCCC3)c2)ccc1C#N ZINC000353632376 1025164500 /nfs/dbraw/zinc/16/45/00/1025164500.db2.gz SLHHGNMXLIWPKQ-CQSZACIVSA-N 0 1 324.428 3.729 20 30 DHEDMN COC(=O)c1coc(CN[C@@H](CCCC#N)c2ccccc2)c1 ZINC000353899627 1025285904 /nfs/dbraw/zinc/28/59/04/1025285904.db2.gz MYEIAQXEDJMXPX-KRWDZBQOSA-N 0 1 312.369 3.591 20 30 DHEDMN C=CCOc1ccc(CN2CCSC(C)(C)C2)cc1OC ZINC000353912810 1025287752 /nfs/dbraw/zinc/28/77/52/1025287752.db2.gz FRAGIIVKOWNWJX-UHFFFAOYSA-N 0 1 307.459 3.587 20 30 DHEDMN N#C[C@@H](C(=O)c1occ2c1CCC2)c1nccc2ccccc21 ZINC000354177241 1025378279 /nfs/dbraw/zinc/37/82/79/1025378279.db2.gz OXMVXKPAAHGWPV-MRXNPFEDSA-N 0 1 302.333 3.807 20 30 DHEDMN N#CC(C(=O)c1occ2c1CCC2)c1nccc2ccccc21 ZINC000354177241 1025378285 /nfs/dbraw/zinc/37/82/85/1025378285.db2.gz OXMVXKPAAHGWPV-MRXNPFEDSA-N 0 1 302.333 3.807 20 30 DHEDMN N#C[C@H](C(=O)c1ccc(-c2ccc(F)cc2)o1)c1ccccn1 ZINC000041493411 1025404221 /nfs/dbraw/zinc/40/42/21/1025404221.db2.gz WYQBHSVHKNPDMD-AWEZNQCLSA-N 0 1 306.296 3.971 20 30 DHEDMN N#CC(C(=O)c1ccc(-c2ccc(F)cc2)o1)c1ccccn1 ZINC000041493411 1025404234 /nfs/dbraw/zinc/40/42/34/1025404234.db2.gz WYQBHSVHKNPDMD-AWEZNQCLSA-N 0 1 306.296 3.971 20 30 DHEDMN N#C[C@@H](C(=O)c1cc(-c2ccccc2Cl)[nH]n1)c1ccccn1 ZINC000041480718 1025405285 /nfs/dbraw/zinc/40/52/85/1025405285.db2.gz SNFJEGALNBRKER-GFCCVEGCSA-N 0 1 322.755 3.615 20 30 DHEDMN N#CC(C(=O)c1cc(-c2ccccc2Cl)[nH]n1)c1ccccn1 ZINC000041480718 1025405290 /nfs/dbraw/zinc/40/52/90/1025405290.db2.gz SNFJEGALNBRKER-GFCCVEGCSA-N 0 1 322.755 3.615 20 30 DHEDMN N#CC(C(=O)c1ccc2c(c1)CCC2)c1nc2ccccc2o1 ZINC000041544781 1025411541 /nfs/dbraw/zinc/41/15/41/1025411541.db2.gz WSZZYUFCSJZUFZ-HNNXBMFYSA-N 0 1 302.333 3.807 20 30 DHEDMN N#C[C@@H](C(=O)c1ccc2c(c1)CCC2)c1nc2ccccc2o1 ZINC000041544781 1025411546 /nfs/dbraw/zinc/41/15/46/1025411546.db2.gz WSZZYUFCSJZUFZ-HNNXBMFYSA-N 0 1 302.333 3.807 20 30 DHEDMN C[C@H](NC[C@@H](O)CC1(C#N)CCC1)c1c(F)cccc1Cl ZINC000886112349 1025511607 /nfs/dbraw/zinc/51/16/07/1025511607.db2.gz VSCXHVPEKADHJO-RYUDHWBXSA-N 0 1 310.800 3.575 20 30 DHEDMN N#Cc1ccc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)o1 ZINC000127819844 1025556677 /nfs/dbraw/zinc/55/66/77/1025556677.db2.gz BKQYUHXNVICJLN-ZDUSSCGKSA-N 0 1 307.353 3.672 20 30 DHEDMN N#Cc1ccc(CN2CCC[C@H](c3nc4ccccc4o3)C2)o1 ZINC000127819844 1025556691 /nfs/dbraw/zinc/55/66/91/1025556691.db2.gz BKQYUHXNVICJLN-ZDUSSCGKSA-N 0 1 307.353 3.672 20 30 DHEDMN N#CCCC[C@H](NCc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000886215328 1025560982 /nfs/dbraw/zinc/56/09/82/1025560982.db2.gz IMRUPQUDACRODH-INIZCTEOSA-N 0 1 310.357 3.515 20 30 DHEDMN N#CCc1ccc(C(=O)Nc2cc(Cl)c(O)cc2F)cc1 ZINC000805260676 1025567196 /nfs/dbraw/zinc/56/71/96/1025567196.db2.gz WVGLYFAEDPUHNL-UHFFFAOYSA-N 0 1 304.708 3.503 20 30 DHEDMN C[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)c1ccns1 ZINC000860059861 1033293861 /nfs/dbraw/zinc/29/38/61/1033293861.db2.gz QSLHWMKIBUTXJC-SECBINFHSA-N 0 1 311.332 3.884 20 30 DHEDMN Cc1csc(C(C#N)C(=O)c2cccc(OCC(C)C)c2)n1 ZINC000047357763 1025620346 /nfs/dbraw/zinc/62/03/46/1025620346.db2.gz UXQUPMLIQMZPMP-OAHLLOKOSA-N 0 1 314.410 3.976 20 30 DHEDMN Cc1cc2[nH]ncc2cc1NC(=O)c1cc(C#N)ccc1Cl ZINC000355196613 1025634004 /nfs/dbraw/zinc/63/40/04/1025634004.db2.gz KLJVRTAGMXLCBC-UHFFFAOYSA-N 0 1 310.744 3.649 20 30 DHEDMN N#CC(C(=O)c1cscc1-c1ccccc1)c1ccncn1 ZINC000355206440 1025636134 /nfs/dbraw/zinc/63/61/34/1025636134.db2.gz OVSDFJOSLGVFPN-CYBMUJFWSA-N 0 1 305.362 3.695 20 30 DHEDMN N#Cc1ccc(OC2CCN(C/C=C/c3ccncc3)CC2)cc1 ZINC000355426784 1025720882 /nfs/dbraw/zinc/72/08/82/1025720882.db2.gz ROAJCWGNURHPNW-OWOJBTEDSA-N 0 1 319.408 3.510 20 30 DHEDMN C=CCCC[C@H](COc1ccccc1)N[C@H]1CCn2ccnc21 ZINC000886616190 1025738912 /nfs/dbraw/zinc/73/89/12/1025738912.db2.gz WPICEPULFNCAPF-AEFFLSMTSA-N 0 1 311.429 3.721 20 30 DHEDMN N#Cc1ccc(CN2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)cc1F ZINC000886617647 1025743246 /nfs/dbraw/zinc/74/32/46/1025743246.db2.gz UXZPNBNMJOAAKS-ZFWWWQNUSA-N 0 1 312.310 3.862 20 30 DHEDMN C=C[C@@H](CC(=O)Nc1cccc(-c2nnc[nH]2)c1)c1ccccc1 ZINC000134703184 1025815846 /nfs/dbraw/zinc/81/58/46/1025815846.db2.gz RVMNGDDSLCHNHT-AWEZNQCLSA-N 0 1 318.380 3.770 20 30 DHEDMN C#C[C@@H]1CCCN(Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000826535018 1026082146 /nfs/dbraw/zinc/08/21/46/1026082146.db2.gz PLUWHLVLUJLCPV-OAHLLOKOSA-N 0 1 310.372 3.858 20 30 DHEDMN Fc1ccccc1-c1n[nH]c(=S)n1N=Cc1cccs1 ZINC000263630851 1026096651 /nfs/dbraw/zinc/09/66/51/1026096651.db2.gz MRQIVFYUZSEULM-UHFFFAOYSA-N 0 1 304.375 3.690 20 30 DHEDMN C=CCn1c(=O)[nH]nc1SCc1cc(Cl)cc(Cl)c1 ZINC000576150538 1026104713 /nfs/dbraw/zinc/10/47/13/1026104713.db2.gz FGUJRHVBRWNFFB-UHFFFAOYSA-N 0 1 316.213 3.769 20 30 DHEDMN C=CC[C@@H]1CCCN(C(=O)c2[nH]nc3ccc(Cl)cc32)C1 ZINC000622144497 1026206106 /nfs/dbraw/zinc/20/61/06/1026206106.db2.gz JXZIWGWOPRIKIO-LLVKDONJSA-N 0 1 303.793 3.645 20 30 DHEDMN COC1(C(F)(F)F)CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000419347863 1026206880 /nfs/dbraw/zinc/20/68/80/1026206880.db2.gz KNDIJPQOJQRZQG-GFCCVEGCSA-N 0 1 312.335 3.663 20 30 DHEDMN CCO[C@@H](C)C(=O)C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000729071121 1026365401 /nfs/dbraw/zinc/36/54/01/1026365401.db2.gz WXDQFABLIZHQOX-GXTWGEPZSA-N 0 1 314.410 3.720 20 30 DHEDMN CCc1ccc(NC(=O)C(C#N)C(=O)CC2(C)CCCC2)cc1 ZINC000808979281 1026425363 /nfs/dbraw/zinc/42/53/63/1026425363.db2.gz GWZWZCNVKRKYCI-INIZCTEOSA-N 0 1 312.413 3.867 20 30 DHEDMN N#Cc1ccc2nc(NC(=O)c3cscc3C(F)F)[nH]c2c1 ZINC001131674564 1026520153 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N#CC1(c2ccc(CN3CCc4cc(F)ccc4C3)cc2)CC1 ZINC000597082535 1040646725 /nfs/dbraw/zinc/64/67/25/1040646725.db2.gz VRMLRNXRQDBMSS-UHFFFAOYSA-N 0 1 306.384 3.939 20 30 DHEDMN CCCN1Cc2cccc(N[C@H](C#N)Cc3ccccc3)c2C1 ZINC000608982143 1040658017 /nfs/dbraw/zinc/65/80/17/1040658017.db2.gz ONKNQKWAYHVPKW-SFHVURJKSA-N 0 1 305.425 3.959 20 30 DHEDMN CCOCC(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000060477613 1040676312 /nfs/dbraw/zinc/67/63/12/1040676312.db2.gz PYIFQHBHSWIRFL-LBPRGKRZSA-N 0 1 320.801 3.676 20 30 DHEDMN C=CCN(Cc1ccc2[nH]cnc2c1)Cc1cccc(C#N)c1 ZINC000534348723 1040817600 /nfs/dbraw/zinc/81/76/00/1040817600.db2.gz BJNXYJYGMLGBOB-UHFFFAOYSA-N 0 1 302.381 3.623 20 30 DHEDMN Cc1[nH]n(Cc2cc(Cl)ccc2Cl)c(=O)c1CCC#N ZINC000601948413 1040831669 /nfs/dbraw/zinc/83/16/69/1040831669.db2.gz YCWQFRNVGCEFON-GFCCVEGCSA-N 0 1 310.184 3.631 20 30 DHEDMN COc1ccc(OC)c(CN(C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000442668168 1041000341 /nfs/dbraw/zinc/00/03/41/1041000341.db2.gz CDMLMFMXRKARLN-AWEZNQCLSA-N 0 1 310.397 3.768 20 30 DHEDMN CCCN(Cc1cccc(C#N)n1)[C@@H](C)c1ccccc1OC ZINC000602442497 1041036977 /nfs/dbraw/zinc/03/69/77/1041036977.db2.gz BUGLQMYECMUSST-HNNXBMFYSA-N 0 1 309.413 3.935 20 30 DHEDMN N#CC1CCC(Nc2ccccc2CN2CCSCC2)CC1 ZINC000602489997 1041057804 /nfs/dbraw/zinc/05/78/04/1041057804.db2.gz GPZNJVDQPKQDKF-UHFFFAOYSA-N 0 1 315.486 3.730 20 30 DHEDMN COc1ncc(CN[C@@H](CCCC#N)c2ccccc2)s1 ZINC000602672528 1041140477 /nfs/dbraw/zinc/14/04/77/1041140477.db2.gz YXIJSKYLJBYRST-HNNXBMFYSA-N 0 1 301.415 3.676 20 30 DHEDMN C[C@@H]1N(C(=O)c2ccc(C#N)c(O)c2)c2ccccc2C1(C)C ZINC000598272903 1041147221 /nfs/dbraw/zinc/14/72/21/1041147221.db2.gz ATOPGVLRTCNCLL-LBPRGKRZSA-N 0 1 306.365 3.590 20 30 DHEDMN Cc1nn(-c2ccccc2C)c(C)c1CN(C)CC1(CC#N)CC1 ZINC000602764979 1041213315 /nfs/dbraw/zinc/21/33/15/1041213315.db2.gz RYQCYYWKIAOCHL-UHFFFAOYSA-N 0 1 322.456 3.923 20 30 DHEDMN N#Cc1ccc(C2CCN(Cc3ccc(F)c(F)c3)CC2)nc1 ZINC000602908684 1041296273 /nfs/dbraw/zinc/29/62/73/1041296273.db2.gz GWSNAEPYPUEDPA-UHFFFAOYSA-N 0 1 313.351 3.611 20 30 DHEDMN N#Cc1cccc(CN2CCC(c3ccc(F)cn3)CC2)c1F ZINC000602904183 1041303415 /nfs/dbraw/zinc/30/34/15/1041303415.db2.gz NELYWESDXOBLDM-UHFFFAOYSA-N 0 1 313.351 3.611 20 30 DHEDMN CCn1nc(C)c(CN(C)Cc2ccccc2C(C)(C)C#N)c1C ZINC000602925215 1041306909 /nfs/dbraw/zinc/30/69/09/1041306909.db2.gz HPMSMBBVOTUKAA-UHFFFAOYSA-N 0 1 324.472 3.953 20 30 DHEDMN N#Cc1ccc(CN2CCC(c3ccc(F)cn3)CC2)c(F)c1 ZINC000602906563 1041308473 /nfs/dbraw/zinc/30/84/73/1041308473.db2.gz WZVHBZNSCRZTDQ-UHFFFAOYSA-N 0 1 313.351 3.611 20 30 DHEDMN CC(C)(C#N)C[C@H](O)CN1CCCC[C@H]1c1ccc(F)cc1F ZINC000598599311 1041359645 /nfs/dbraw/zinc/35/96/45/1041359645.db2.gz ZNDUIQMBAKRBOR-YOEHRIQHSA-N 0 1 322.399 3.793 20 30 DHEDMN N#Cc1cc(Cl)ccc1CN[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000187781311 200155699 /nfs/dbraw/zinc/15/56/99/200155699.db2.gz HJVQVIYCQHZLLU-SJORKVTESA-N 0 1 314.820 3.682 20 30 DHEDMN C#CCCOc1ccc(CNCc2cc(C)cc(Cl)n2)cc1 ZINC000281899306 334991346 /nfs/dbraw/zinc/99/13/46/334991346.db2.gz FNRCMGWRGCEUKO-UHFFFAOYSA-N 0 1 314.816 3.735 20 30 DHEDMN C=C(Cl)COc1ccc([C@@H](C)NCc2cc(C)nn2C)cc1 ZINC000284081804 335010012 /nfs/dbraw/zinc/01/00/12/335010012.db2.gz BCTGJOAPTGAAET-CQSZACIVSA-N 0 1 319.836 3.711 20 30 DHEDMN C=CCOc1ccc(CNCc2cn(C)nc2C(C)(C)C)cc1 ZINC000285619279 335023614 /nfs/dbraw/zinc/02/36/14/335023614.db2.gz QPBYVHVZEIKGCO-UHFFFAOYSA-N 0 1 313.445 3.572 20 30 DHEDMN COc1ccc(N(CC(C)C)C(=O)c2ccc(C#N)c(O)c2)cc1 ZINC000442943679 338439856 /nfs/dbraw/zinc/43/98/56/338439856.db2.gz NVRNHRYIOPKAIY-UHFFFAOYSA-N 0 1 324.380 3.575 20 30 DHEDMN CC(=O)Nc1cccc([C@@H](C)NC2(c3cccc(C#N)c3)CC2)c1 ZINC000272158787 130003136 /nfs/dbraw/zinc/00/31/36/130003136.db2.gz BJSOPHSTJQTIHC-CQSZACIVSA-N 0 1 319.408 3.857 20 30 DHEDMN Cc1ccc2nc([C@H]3CCCN(c4ncccc4C#N)C3)[nH]c2c1 ZINC000273044087 130085729 /nfs/dbraw/zinc/08/57/29/130085729.db2.gz DFHLJERKDRWUPE-HNNXBMFYSA-N 0 1 317.396 3.522 20 30 DHEDMN COc1c(C)cnc(CN(C)[C@H](C)c2cccc(C#N)c2)c1C ZINC000275754679 130380459 /nfs/dbraw/zinc/38/04/59/130380459.db2.gz XFIYOTGAHWUKQX-OAHLLOKOSA-N 0 1 309.413 3.772 20 30 DHEDMN Cc1cc([C@@H]2CCCN(c3c(C#N)cnc4ccccc43)C2)[nH]n1 ZINC000282230417 130908759 /nfs/dbraw/zinc/90/87/59/130908759.db2.gz LBDYTFFRMFWBFW-CQSZACIVSA-N 0 1 317.396 3.522 20 30 DHEDMN N#Cc1cccc(C2(N[C@@H]3CCCc4ccc(O)cc43)CC2)c1 ZINC000283729333 131017453 /nfs/dbraw/zinc/01/74/53/131017453.db2.gz CARQGNBPKUIGBY-LJQANCHMSA-N 0 1 304.393 3.920 20 30 DHEDMN C=C(Br)CN[C@H]1c2ccccc2CC12CCOCC2 ZINC000290045349 335068147 /nfs/dbraw/zinc/06/81/47/335068147.db2.gz CYDVUTVCALTXTH-HNNXBMFYSA-N 0 1 322.246 3.579 20 30 DHEDMN CC(C)COc1cccc(NC(=O)c2ccc(C#N)c(O)c2)c1 ZINC000190758735 335088671 /nfs/dbraw/zinc/08/86/71/335088671.db2.gz KLXZBWGUMCSTCO-UHFFFAOYSA-N 0 1 310.353 3.551 20 30 DHEDMN CC[C@@H](C)[C@H]1CCCCN1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000448015841 332158946 /nfs/dbraw/zinc/15/89/46/332158946.db2.gz RPDVHAFBSTUXCI-MLGOLLRUSA-N 0 1 317.433 3.607 20 30 DHEDMN Cc1cnn(C2CCN(CC#Cc3cccc(Cl)c3)CC2)c1 ZINC000370833577 332264244 /nfs/dbraw/zinc/26/42/44/332264244.db2.gz PPGPNJNIRPAZOQ-UHFFFAOYSA-N 0 1 313.832 3.534 20 30 DHEDMN C=C(C)[C@H](NCc1n[nH]c(C(C)C)n1)c1ccc(F)c(F)c1 ZINC000293054887 335102084 /nfs/dbraw/zinc/10/20/84/335102084.db2.gz GBAQIMMGYSFLJY-HNNXBMFYSA-N 0 1 306.360 3.613 20 30 DHEDMN N#Cc1c(F)cccc1CN[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000428347680 332512766 /nfs/dbraw/zinc/51/27/66/332512766.db2.gz NWRFWMIDBBUXQQ-FOIQADDNSA-N 0 1 324.399 3.955 20 30 DHEDMN COc1ccc([C@@H](C)NCC#Cc2ccccc2)c(C)c1OC ZINC000561926344 332516293 /nfs/dbraw/zinc/51/62/93/332516293.db2.gz RKSPPYNLJOFBNM-MRXNPFEDSA-N 0 1 309.409 3.715 20 30 DHEDMN CCN(CC)[C@@H](C(=O)Nc1cccc(C#N)c1C)c1ccccc1 ZINC000178634785 333017578 /nfs/dbraw/zinc/01/75/78/333017578.db2.gz QKLUWJLOLCAFGX-LJQANCHMSA-N 0 1 321.424 3.888 20 30 DHEDMN C[C@@H]1CN(CCCC(C)(C)C#N)C[C@H](c2ccc(F)cc2)O1 ZINC000174874620 333092091 /nfs/dbraw/zinc/09/20/91/333092091.db2.gz ISPQNWYYVJCCLL-RHSMWYFYSA-N 0 1 304.409 3.917 20 30 DHEDMN C[C@H](NCCCC(C)(C)C#N)c1nc(-c2cccc(F)c2)no1 ZINC000185063989 333203772 /nfs/dbraw/zinc/20/37/72/333203772.db2.gz YXMAWPFJXBSMMW-LBPRGKRZSA-N 0 1 316.380 3.856 20 30 DHEDMN CN(c1cccc(F)c1C#N)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388159282 333215336 /nfs/dbraw/zinc/21/53/36/333215336.db2.gz ICOYCSSJXSREFW-QGZVFWFLSA-N 0 1 323.415 3.798 20 30 DHEDMN CC(C)(C)OC(=O)Nc1ncc(CNCC(C)(C)CC#N)s1 ZINC000497310655 333234865 /nfs/dbraw/zinc/23/48/65/333234865.db2.gz DBIPLVYFLJSYAX-UHFFFAOYSA-N 0 1 324.450 3.520 20 30 DHEDMN Cc1c(C(=O)/C=C/c2cc(F)c(O)c(F)c2)cnn1C(C)(C)C ZINC000188869234 333252735 /nfs/dbraw/zinc/25/27/35/333252735.db2.gz HQIDGFGDYQEFME-AATRIKPKSA-N 0 1 320.339 3.826 20 30 DHEDMN N#Cc1cccc(C2(NC3CC(C#N)(c4ccccc4)C3)CC2)c1 ZINC000364847683 333332277 /nfs/dbraw/zinc/33/22/77/333332277.db2.gz OKNNIHGLJRLEOB-UHFFFAOYSA-N 0 1 313.404 3.761 20 30 DHEDMN COCC[C@@H](NC1CC(C#N)(c2ccccc2)C1)c1ccco1 ZINC000364858340 333332486 /nfs/dbraw/zinc/33/24/86/333332486.db2.gz ZZMUHKGUTNSGDA-TVRKMHQQSA-N 0 1 310.397 3.571 20 30 DHEDMN C=CCN(C)[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000494706323 333350070 /nfs/dbraw/zinc/35/00/70/333350070.db2.gz DTUTXPGNKXJTEH-MNOVXSKESA-N 0 1 315.244 3.677 20 30 DHEDMN N#Cc1ccccc1N1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411227258 333643877 /nfs/dbraw/zinc/64/38/77/333643877.db2.gz MMDXDLKKUUMUGL-UHFFFAOYSA-N 0 1 322.456 3.544 20 30 DHEDMN Cc1cccc2nc(CNc3ncc(Cl)c(C)c3C#N)[nH]c21 ZINC000343439903 335164784 /nfs/dbraw/zinc/16/47/84/335164784.db2.gz PPGCJYXVMGYBLH-UHFFFAOYSA-N 0 1 311.776 3.712 20 30 DHEDMN Cc1ccc(Br)c(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000414245391 333919639 /nfs/dbraw/zinc/91/96/39/333919639.db2.gz ALLVHFHYGLDVAW-OCCSQVGLSA-N 0 1 307.235 3.930 20 30 DHEDMN N#Cc1ccc(CN[C@@H]2CCCC[C@H]2F)c(C(F)(F)F)c1 ZINC000414512991 334003338 /nfs/dbraw/zinc/00/33/38/334003338.db2.gz OPQPWGRMJIEAHQ-ZIAGYGMSSA-N 0 1 300.299 3.947 20 30 DHEDMN C=C1CCN(Cc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000271155390 334019434 /nfs/dbraw/zinc/01/94/34/334019434.db2.gz HOMRIBUKZGDWMN-UHFFFAOYSA-N 0 1 300.402 3.530 20 30 DHEDMN CC[C@H]1CC[C@H](C)N1CC(=O)Nc1ccccc1SCC#N ZINC000271439988 334023457 /nfs/dbraw/zinc/02/34/57/334023457.db2.gz BRWJIISAMCOENM-KBPBESRZSA-N 0 1 317.458 3.504 20 30 DHEDMN CC(C)(C)OC(=O)c1cccc(CN2CCC(C)(C#N)CC2)c1 ZINC000272573455 334037434 /nfs/dbraw/zinc/03/74/34/334037434.db2.gz WLFJGGIQSNQJLE-UHFFFAOYSA-N 0 1 314.429 3.768 20 30 DHEDMN Cc1ccc2c(CN3CCC(C)(C#N)CC3)cc(=O)oc2c1C ZINC000272622008 334037993 /nfs/dbraw/zinc/03/79/93/334037993.db2.gz UYBZUVYQUWTPNV-UHFFFAOYSA-N 0 1 310.397 3.536 20 30 DHEDMN Cc1cc(Cl)nc(CN[C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000281941457 334129840 /nfs/dbraw/zinc/12/98/40/334129840.db2.gz BMZBIUWYQVSDGZ-ZDUSSCGKSA-N 0 1 315.804 3.797 20 30 DHEDMN CCCCCCCCCN[C@@H](c1nnc[nH]1)c1cccnc1 ZINC000284047944 334142328 /nfs/dbraw/zinc/14/23/28/334142328.db2.gz KDXCQYGPDDWQIE-MRXNPFEDSA-N 0 1 301.438 3.629 20 30 DHEDMN CN(CCC#N)c1ccc(C[N@H+]2CCCc3occc3C2)cc1 ZINC000290052404 334170797 /nfs/dbraw/zinc/17/07/97/334170797.db2.gz DREVFVBPRZHZSC-UHFFFAOYSA-N 0 1 309.413 3.578 20 30 DHEDMN CCN(CC)[C@H](CNC(=O)CCCC#N)c1ccccc1Cl ZINC000291014540 334175647 /nfs/dbraw/zinc/17/56/47/334175647.db2.gz VHTLCIWCMMNCKM-MRXNPFEDSA-N 0 1 321.852 3.533 20 30 DHEDMN CCOc1cc2c(cc1OCC)CN([C@H]1CC[C@H](C#N)C1)CC2 ZINC000293661972 334200429 /nfs/dbraw/zinc/20/04/29/334200429.db2.gz YUJCDRRBBJSNDW-YOEHRIQHSA-N 0 1 314.429 3.534 20 30 DHEDMN CN(CCC#N)c1ccc(CNc2ccc3c(n2)CCC3)cc1 ZINC000294846803 334213612 /nfs/dbraw/zinc/21/36/12/334213612.db2.gz NCGQMVXLHOBPCB-UHFFFAOYSA-N 0 1 306.413 3.532 20 30 DHEDMN N#CCCCN1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000296463377 334234223 /nfs/dbraw/zinc/23/42/23/334234223.db2.gz XIJOYFYARWFLEC-UHFFFAOYSA-N 0 1 303.353 3.645 20 30 DHEDMN CC[N@H+](Cc1cc(Br)ccc1[O-])[C@H](C)CCC#N ZINC000299288718 334254645 /nfs/dbraw/zinc/25/46/45/334254645.db2.gz NQSILVPTKVFBNZ-LLVKDONJSA-N 0 1 311.223 3.669 20 30 DHEDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])[C@H](C)CCC#N ZINC000299288718 334254646 /nfs/dbraw/zinc/25/46/46/334254646.db2.gz NQSILVPTKVFBNZ-LLVKDONJSA-N 0 1 311.223 3.669 20 30 DHEDMN C=CCNC(=O)CN(CCC)[C@H](C)c1cc2ccccc2o1 ZINC000053643591 334341602 /nfs/dbraw/zinc/34/16/02/334341602.db2.gz VWSPRRNVLYROBJ-CQSZACIVSA-N 0 1 300.402 3.508 20 30 DHEDMN N#Cc1cccc(CN[C@H](C[C@@H]2CCOC2)c2ccccc2)c1F ZINC000342247534 334520273 /nfs/dbraw/zinc/52/02/73/334520273.db2.gz UERJLDVZRMMIBK-HNAYVOBHSA-N 0 1 324.399 3.955 20 30 DHEDMN CN(Cc1ccc(CC#N)cc1)Cc1cc(F)c(F)c(F)c1 ZINC000343855009 335197328 /nfs/dbraw/zinc/19/73/28/335197328.db2.gz UVJWANSILUQCEQ-UHFFFAOYSA-N 0 1 304.315 3.802 20 30 DHEDMN Cc1cc(C(C#N)C(=O)c2ccc(-c3ccccc3)o2)nc(C)n1 ZINC000344461141 335250608 /nfs/dbraw/zinc/25/06/08/335250608.db2.gz YBJKOOCYPMEDSJ-OAHLLOKOSA-N 0 1 317.348 3.844 20 30 DHEDMN N#Cc1ccccc1-c1ccc(CN2CCc3n[nH]cc3C2)cc1 ZINC000345651695 335343729 /nfs/dbraw/zinc/34/37/29/335343729.db2.gz FDXWHPRNGWBPAX-UHFFFAOYSA-N 0 1 314.392 3.507 20 30 DHEDMN CC(=O)Nc1cccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000346128981 335378980 /nfs/dbraw/zinc/37/89/80/335378980.db2.gz FHGPSHLYJLSKLW-LBPRGKRZSA-N 0 1 311.360 3.507 20 30 DHEDMN N#Cc1ccc(C(=O)Nc2cccc(NC3CCCC3)c2)cc1O ZINC000191049900 335541890 /nfs/dbraw/zinc/54/18/90/335541890.db2.gz GIBSLALPJLXSOC-UHFFFAOYSA-N 0 1 321.380 3.871 20 30 DHEDMN Cn1ccc([C@H](NCC(C)(C)CCC#N)c2ccc(F)cc2)n1 ZINC000348203380 335565520 /nfs/dbraw/zinc/56/55/20/335565520.db2.gz CHSZYYWYKQWTRQ-QGZVFWFLSA-N 0 1 314.408 3.568 20 30 DHEDMN CCOC(=O)c1sc([C@@H](C)NCCCC(C)(C)C#N)nc1C ZINC000348496966 335593032 /nfs/dbraw/zinc/59/30/32/335593032.db2.gz RCGXPSNBPOQSFP-GFCCVEGCSA-N 0 1 323.462 3.609 20 30 DHEDMN C=CCOc1ccc(CN[C@@H](CO)c2ccsc2)cc1Cl ZINC000349701204 335692845 /nfs/dbraw/zinc/69/28/45/335692845.db2.gz KOIMGAXXMMQKCY-HNNXBMFYSA-N 0 1 323.845 3.790 20 30 DHEDMN N#Cc1ccc(OC2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000350720394 335776035 /nfs/dbraw/zinc/77/60/35/335776035.db2.gz OHBWJFGMSQHULK-UHFFFAOYSA-N 0 1 310.372 3.741 20 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ZINC000179770991 337168979 /nfs/dbraw/zinc/16/89/79/337168979.db2.gz FOHOXZYTINDWMT-NSHDSACASA-N 0 1 323.234 3.594 20 30 DHEDMN COCCN(Cc1ccc(C#N)cc1)Cc1cc(F)ccc1C ZINC000179939370 337172679 /nfs/dbraw/zinc/17/26/79/337172679.db2.gz KDHZFPQNZQDRLL-UHFFFAOYSA-N 0 1 312.388 3.654 20 30 DHEDMN CC(C)n1cccc1C(=O)[C@@H](C#N)c1cnc2ccccc2n1 ZINC000190958565 337291764 /nfs/dbraw/zinc/29/17/64/337291764.db2.gz WQMIWDOPESEKSZ-ZDUSSCGKSA-N 0 1 304.353 3.502 20 30 DHEDMN C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1cccnc1 ZINC000191567790 337299121 /nfs/dbraw/zinc/29/91/21/337299121.db2.gz DUXDDCDLBVKPDZ-UHFFFAOYSA-N 0 1 316.426 3.734 20 30 DHEDMN N#Cc1ccc(CNCc2ccc(OC(F)F)cc2)c(F)c1 ZINC000073479839 337549928 /nfs/dbraw/zinc/54/99/28/337549928.db2.gz RTJFQMKGMWRLAJ-UHFFFAOYSA-N 0 1 306.287 3.589 20 30 DHEDMN COC[C@@H](NCc1ccc(CC#N)cc1)c1cccc(Cl)c1 ZINC000571716909 337572538 /nfs/dbraw/zinc/57/25/38/337572538.db2.gz POZSIJFMYQNSSF-GOSISDBHSA-N 0 1 314.816 3.883 20 30 DHEDMN C=CCC[C@@H](C)N[C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000273436491 337653024 /nfs/dbraw/zinc/65/30/24/337653024.db2.gz YQXUECJQYIFSRW-OLZOCXBDSA-N 0 1 301.390 3.751 20 30 DHEDMN N#Cc1ccc(F)c(CN(CCc2ccccc2)[C@@H]2CCOC2)c1 ZINC000084134464 338000298 /nfs/dbraw/zinc/00/02/98/338000298.db2.gz HIUAANCOGALRAM-LJQANCHMSA-N 0 1 324.399 3.531 20 30 DHEDMN C[C@H](NCc1cccc(F)c1C#N)[C@@H]1Oc2ccccc2[C@H]1C ZINC000428436880 338051317 /nfs/dbraw/zinc/05/13/17/338051317.db2.gz JLPSVFCDSOCQJM-QHRIQVFBSA-N 0 1 310.372 3.740 20 30 DHEDMN C[C@H]1CC[C@H](N(C)Cc2ccc(C#N)cc2Br)C1 ZINC000429577331 338084810 /nfs/dbraw/zinc/08/48/10/338084810.db2.gz FOCPHBLACRITSI-FZMZJTMJSA-N 0 1 307.235 3.941 20 30 DHEDMN Cn1cc(Cl)cc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430628970 338110185 /nfs/dbraw/zinc/11/01/85/338110185.db2.gz PKFFAVBFIMTNND-JTQLQIEISA-N 0 1 321.833 3.923 20 30 DHEDMN Cn1cc(Cl)cc1C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430628970 338110186 /nfs/dbraw/zinc/11/01/86/338110186.db2.gz PKFFAVBFIMTNND-JTQLQIEISA-N 0 1 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ZINC000730276583 1019969083 /nfs/dbraw/zinc/96/90/83/1019969083.db2.gz NUBPMXNJLIZENM-LJQANCHMSA-N 0 1 321.424 3.622 20 30 DHEDMN CCC(N=Nc1ccc(C#N)c(C(F)(F)F)c1)c1nccn1C ZINC000755681482 1020006527 /nfs/dbraw/zinc/00/65/27/1020006527.db2.gz BGJXQCWKDFPTIQ-UHFFFAOYSA-N 0 1 321.306 3.537 20 30 DHEDMN CSc1ccc(CNCc2cccc3c2OCC3)cc1C#N ZINC000922338336 1020020046 /nfs/dbraw/zinc/02/00/46/1020020046.db2.gz ORQHSLGTNFKWGK-UHFFFAOYSA-N 0 1 310.422 3.505 20 30 DHEDMN C[C@@H](NCc1cccc(F)c1F)c1ccc(OCC#N)cc1 ZINC000730817168 1020029809 /nfs/dbraw/zinc/02/98/09/1020029809.db2.gz NLOWJDNXACXKSZ-GFCCVEGCSA-N 0 1 302.324 3.718 20 30 DHEDMN N#CCCCOc1cccc(/C=C\C(=O)c2ccc(O)cc2O)c1 ZINC000255621068 1020032297 /nfs/dbraw/zinc/03/22/97/1020032297.db2.gz OZHLKCOTPKDOOU-TWGQIWQCSA-N 0 1 323.348 3.676 20 30 DHEDMN N#CCCSc1ccccc1NC(=S)NCC(F)(F)F ZINC000730953210 1020047036 /nfs/dbraw/zinc/04/70/36/1020047036.db2.gz TZQFRDZPLKNIHY-UHFFFAOYSA-N 0 1 319.377 3.541 20 30 DHEDMN C=C(C)COc1cc(C=NNc2ccc(F)cn2)ccc1OC 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CC[C@@H](N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1)c1ccc(C#N)cc1 ZINC000278895090 1024363030 /nfs/dbraw/zinc/36/30/30/1024363030.db2.gz YWURIWQIOUBYHW-HEHGZKQESA-N 0 1 311.433 3.992 20 30 DHEDMN C[C@H](NCc1cnc([C@@H]2CCCO2)s1)c1ccc(C#N)cc1 ZINC000270183933 1024363322 /nfs/dbraw/zinc/36/33/22/1024363322.db2.gz GJQVDQZQMQARBR-LRDDRELGSA-N 0 1 313.426 3.717 20 30 DHEDMN CCN(Cc1cc(OC)cc(C)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000270356600 1024381789 /nfs/dbraw/zinc/38/17/89/1024381789.db2.gz XEMAOVOQAPRSJK-OAHLLOKOSA-N 0 1 309.413 3.853 20 30 DHEDMN C=CC(C)(C)CCN[C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000624037811 1024390173 /nfs/dbraw/zinc/39/01/73/1024390173.db2.gz JPXZASSTIYSONZ-KRWDZBQOSA-N 0 1 301.409 3.841 20 30 DHEDMN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H]1CCCc2c[nH]nc21 ZINC000584695204 1024464803 /nfs/dbraw/zinc/46/48/03/1024464803.db2.gz SZYFPJGGTHWDJG-MSOLQXFVSA-N 0 1 306.413 3.716 20 30 DHEDMN COc1ccc2c(c1F)CC[C@H]2NCc1ccc(C#N)c(F)c1 ZINC000453359424 1024481297 /nfs/dbraw/zinc/48/12/97/1024481297.db2.gz 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O=C(/C=C\c1cc(O)ccc1[N+](=O)[O-])c1c[nH]c2ccccc12 ZINC000772804150 1024707960 /nfs/dbraw/zinc/70/79/60/1024707960.db2.gz BSOUZOKUCPXVCO-YVMONPNESA-N 0 1 308.293 3.678 20 30 DHEDMN O=C(/C=C\c1cc(O)ccc1[N+](=O)[O-])c1ccc(F)c(Cl)c1 ZINC000772804899 1024721690 /nfs/dbraw/zinc/72/16/90/1024721690.db2.gz CWUHTHGGQJYYFW-KXFIGUGUSA-N 0 1 321.691 3.989 20 30 DHEDMN Cc1[nH]c2ccccc2c1C(=O)/C=C/c1cc(O)ccc1[N+](=O)[O-] ZINC000772804914 1024721754 /nfs/dbraw/zinc/72/17/54/1024721754.db2.gz DGDZUUQHGYSRDF-RMKNXTFCSA-N 0 1 322.320 3.986 20 30 DHEDMN CC(=O)Nc1ccc([C@H](C)NCc2ccc(C#N)cc2F)cc1 ZINC000182067820 1024728118 /nfs/dbraw/zinc/72/81/18/1024728118.db2.gz MYUSVKVDDWGBBU-LBPRGKRZSA-N 0 1 311.360 3.507 20 30 DHEDMN O=C1c2cccc(Cl)c2C/C1=C\c1cc(O)ccc1[N+](=O)[O-] ZINC000772808680 1024737664 /nfs/dbraw/zinc/73/76/64/1024737664.db2.gz VVEYPVUVTYKDBO-UXBLZVDNSA-N 0 1 315.712 3.776 20 30 DHEDMN N#CC1(c2ccccc2)CCC(N2CC3(C2)CCCCO3)CC1 ZINC001170383245 1024768591 /nfs/dbraw/zinc/76/85/91/1024768591.db2.gz JCGYEHAZQISNFD-UHFFFAOYSA-N 0 1 310.441 3.645 20 30 DHEDMN C=CCCCNC(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000279276047 1024830237 /nfs/dbraw/zinc/83/02/37/1024830237.db2.gz LACSUOSZTBEDDI-MRXNPFEDSA-N 0 1 312.417 3.684 20 30 DHEDMN Cc1cc(C#N)ccc1CN1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792905709 1024830128 /nfs/dbraw/zinc/83/01/28/1024830128.db2.gz QYWQUKMSLWOYII-CABCVRRESA-N 0 1 309.240 3.882 20 30 DHEDMN Cc1cc(C)cc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000127582574 1024863091 /nfs/dbraw/zinc/86/30/91/1024863091.db2.gz SGWGDCTUBYNNFQ-JKSUJKDBSA-N 0 1 321.424 3.853 20 30 DHEDMN CC1(C)C(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)C1(C)C ZINC000747107919 1024921099 /nfs/dbraw/zinc/92/10/99/1024921099.db2.gz JPUUAQKJSOCFJW-SNVBAGLBSA-N 0 1 318.804 3.670 20 30 DHEDMN Clc1cccc(N=NCc2c[nH]nc2-c2cccs2)n1 ZINC000793174940 1024922131 /nfs/dbraw/zinc/92/21/31/1024922131.db2.gz NQFGXWLFDMHUTP-UHFFFAOYSA-N 0 1 303.778 3.633 20 30 DHEDMN Cc1c(C(C)N=Nc2cccc(Cl)n2)cccc1[N+](=O)[O-] ZINC000793176197 1024925619 /nfs/dbraw/zinc/92/56/19/1024925619.db2.gz ZRWRERKRUGBXDA-UHFFFAOYSA-N 0 1 304.737 3.788 20 30 DHEDMN C#CCCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000793232011 1024945578 /nfs/dbraw/zinc/94/55/78/1024945578.db2.gz UJPNEDQCAGLYSE-XJKSGUPXSA-N 0 1 311.347 3.861 20 30 DHEDMN CCCOc1ncccc1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353408033 1025060337 /nfs/dbraw/zinc/06/03/37/1025060337.db2.gz YHKUHBCJDKVPFA-GOSISDBHSA-N 0 1 307.397 3.519 20 30 DHEDMN CC(C)Oc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cn1 ZINC000353425406 1025062554 /nfs/dbraw/zinc/06/25/54/1025062554.db2.gz JPDKALCBHNAJJB-GOSISDBHSA-N 0 1 307.397 3.518 20 30 DHEDMN C=CCCCCC[C@H](C)N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000793536485 1025084489 /nfs/dbraw/zinc/08/44/89/1025084489.db2.gz WRBYLHNKBKOFBP-GOEBONIOSA-N 0 1 307.459 3.630 20 30 DHEDMN C#CCOc1ccccc1CN1CCC(CC(F)(F)F)CC1 ZINC000793619577 1025134540 /nfs/dbraw/zinc/13/45/40/1025134540.db2.gz HRGLPBVBJBQKPB-UHFFFAOYSA-N 0 1 311.347 3.863 20 30 DHEDMN C=C[C@@H](CO)N[C@@H](CC)c1ccc(Br)cc1Cl ZINC000353579916 1025136311 /nfs/dbraw/zinc/13/63/11/1025136311.db2.gz VZMOMGLUOLYVHR-GWCFXTLKSA-N 0 1 318.642 3.690 20 30 DHEDMN C=CCOc1ccc(CN2CCS[C@H](C)[C@H]2C)cc1OC ZINC000353854341 1025268697 /nfs/dbraw/zinc/26/86/97/1025268697.db2.gz JGFPTXXBWQEIDH-ZIAGYGMSSA-N 0 1 307.459 3.586 20 30 DHEDMN C=CCOc1ccc(CN2CCS[C@@H](CC)C2)cc1OC ZINC000353884824 1025280179 /nfs/dbraw/zinc/28/01/79/1025280179.db2.gz YCDAOWHAFUXETP-HNNXBMFYSA-N 0 1 307.459 3.587 20 30 DHEDMN CCc1oc2ccccc2c1CN(C)Cc1ccnc(C#N)c1 ZINC000610995337 1025280983 /nfs/dbraw/zinc/28/09/83/1025280983.db2.gz TUUGKQQPNNMRDS-UHFFFAOYSA-N 0 1 305.381 3.894 20 30 DHEDMN Cc1csc(C(C#N)C(=O)c2ccc(C(F)(F)F)cc2)n1 ZINC000041520395 1025407542 /nfs/dbraw/zinc/40/75/42/1025407542.db2.gz PJLOBGQWRITWRM-NSHDSACASA-N 0 1 310.300 3.960 20 30 DHEDMN Cc1csc(C(C#N)C(=O)c2ccccc2OC(F)F)n1 ZINC000041517034 1025409170 /nfs/dbraw/zinc/40/91/70/1025409170.db2.gz ROJSQTFYWKLCLV-SNVBAGLBSA-N 0 1 308.309 3.543 20 30 DHEDMN Cc1csc([C@H](C#N)C(=O)c2ccccc2OC(F)F)n1 ZINC000041517034 1025409176 /nfs/dbraw/zinc/40/91/76/1025409176.db2.gz ROJSQTFYWKLCLV-SNVBAGLBSA-N 0 1 308.309 3.543 20 30 DHEDMN N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H]2c2ccccc2Cl)CCC1 ZINC000885961062 1025419468 /nfs/dbraw/zinc/41/94/68/1025419468.db2.gz TZJSAAGVXRRBRJ-WMLDXEAASA-N 0 1 318.848 3.922 20 30 DHEDMN CCN(CCc1cccc(OC(F)(F)F)c1)C[C@@H](C)C#N ZINC000157750389 1025423722 /nfs/dbraw/zinc/42/37/22/1025423722.db2.gz UPHBHNZAXOOVMU-LBPRGKRZSA-N 0 1 300.324 3.609 20 30 DHEDMN C=CCc1cc(CNCc2cc(C)co2)cc(OC)c1OC ZINC000885971191 1025423981 /nfs/dbraw/zinc/42/39/81/1025423981.db2.gz SWHIVZBWLFTPBS-UHFFFAOYSA-N 0 1 301.386 3.624 20 30 DHEDMN CC[C@H](C#N)Oc1cccc(CNCc2ccc(Cl)cn2)c1 ZINC000885985908 1025429463 /nfs/dbraw/zinc/42/94/63/1025429463.db2.gz UTRUCDAKTGBKFU-MRXNPFEDSA-N 0 1 315.804 3.706 20 30 DHEDMN CC(C)Cn1cc(C(=O)C(C#N)c2ccncn2)c2ccccc21 ZINC000354460737 1025434702 /nfs/dbraw/zinc/43/47/02/1025434702.db2.gz FXWLRWAZOIOJID-HNNXBMFYSA-N 0 1 318.380 3.577 20 30 DHEDMN CC(C)c1cccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)n1 ZINC000354518038 1025447133 /nfs/dbraw/zinc/44/71/33/1025447133.db2.gz ZYHNHZYVFYKFHP-LBPRGKRZSA-N 0 1 304.353 3.571 20 30 DHEDMN COc1cc(C)cc(CN[C@H]2CCc3cc(C#N)ccc32)c1OC ZINC000886097494 1025470573 /nfs/dbraw/zinc/47/05/73/1025470573.db2.gz ABJQIUGJOORLII-SFHVURJKSA-N 0 1 322.408 3.661 20 30 DHEDMN C=CCc1cc(C[N@H+]2CCc3ccsc3C2)cc(OC)c1O ZINC000127057011 1025527856 /nfs/dbraw/zinc/52/78/56/1025527856.db2.gz IKLWDDKRUHTTDH-UHFFFAOYSA-N 0 1 315.438 3.749 20 30 DHEDMN C=CCc1cc(CN2CCc3ccsc3C2)cc(OC)c1O ZINC000127057011 1025527865 /nfs/dbraw/zinc/52/78/65/1025527865.db2.gz IKLWDDKRUHTTDH-UHFFFAOYSA-N 0 1 315.438 3.749 20 30 DHEDMN CCc1noc(CC)c1CNC1CC(C#N)(c2ccccc2)C1 ZINC000127623389 1025547815 /nfs/dbraw/zinc/54/78/15/1025547815.db2.gz QTZHMHKHEKMAPP-UHFFFAOYSA-N 0 1 309.413 3.513 20 30 DHEDMN C=C[C@H](CC(=O)N1CCCC[C@@H]1c1n[nH]c(C)n1)c1ccccc1 ZINC000338160337 1033291558 /nfs/dbraw/zinc/29/15/58/1033291558.db2.gz MJSWTQACBVJHIS-NVXWUHKLSA-N 0 1 324.428 3.527 20 30 DHEDMN CSc1ccc(CNCc2sc(C)nc2C)cc1C#N ZINC000886278548 1025581115 /nfs/dbraw/zinc/58/11/15/1025581115.db2.gz BVGKBEBOVNYHRR-UHFFFAOYSA-N 0 1 303.456 3.643 20 30 DHEDMN C=CCC[C@@H](NCc1nc2ccc(OC)nc2[nH]1)c1ccccc1 ZINC000355024330 1025583262 /nfs/dbraw/zinc/58/32/62/1025583262.db2.gz FYRDFCAQJKIJBZ-OAHLLOKOSA-N 0 1 322.412 3.764 20 30 DHEDMN COc1cc(CNC(C)(C)c2ccc(F)cc2F)ccc1C#N ZINC000886350133 1025600094 /nfs/dbraw/zinc/60/00/94/1025600094.db2.gz KLJMQCWCYHTIAP-UHFFFAOYSA-N 0 1 316.351 3.870 20 30 DHEDMN C#CC[C@H]1CCN([C@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000886361443 1025604050 /nfs/dbraw/zinc/60/40/50/1025604050.db2.gz IIIHGWADZOZVRN-OLZOCXBDSA-N 0 1 303.356 3.838 20 30 DHEDMN C=CCC[C@H](O)CN(Cc1cccc(C)c1)Cc1ccccn1 ZINC000130054959 1025639266 /nfs/dbraw/zinc/63/92/66/1025639266.db2.gz NMTJZTWLVDSWGR-FQEVSTJZSA-N 0 1 310.441 3.719 20 30 DHEDMN CCC(CC)CN(CCC#N)C(=O)c1cc(C)cc2c[nH]nc21 ZINC000355252815 1025655059 /nfs/dbraw/zinc/65/50/59/1025655059.db2.gz FGCUZCQRNGMOIU-UHFFFAOYSA-N 0 1 312.417 3.663 20 30 DHEDMN C=CCCC[C@H](COc1ccccc1)NCc1nnc(C)s1 ZINC000886588806 1025726059 /nfs/dbraw/zinc/72/60/59/1025726059.db2.gz YYJHWRJVVYELNJ-OAHLLOKOSA-N 0 1 317.458 3.740 20 30 DHEDMN COc1cc(C#N)ccc1CN1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886617727 1025742769 /nfs/dbraw/zinc/74/27/69/1025742769.db2.gz WVBUOPUOPVGLGB-HOCLYGCPSA-N 0 1 324.346 3.731 20 30 DHEDMN N#Cc1ccc(CN2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)s1 ZINC000886618843 1025743637 /nfs/dbraw/zinc/74/36/37/1025743637.db2.gz MINASRMGGBOJLY-GWCFXTLKSA-N 0 1 300.349 3.784 20 30 DHEDMN CN(Cc1nnc(-c2ccc(C#N)cc2)o1)CC1CCCCC1 ZINC000075589146 1025845948 /nfs/dbraw/zinc/84/59/48/1025845948.db2.gz ROOCEZKPOSRUCP-UHFFFAOYSA-N 0 1 310.401 3.620 20 30 DHEDMN CC(C)(C)C1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000075746827 1025851667 /nfs/dbraw/zinc/85/16/67/1025851667.db2.gz BSIDSHVIAYVSKM-UHFFFAOYSA-N 0 1 324.428 3.866 20 30 DHEDMN N#CC(C(=O)c1occc1-c1ccc(F)cc1)c1ccccn1 ZINC000152260118 1025937512 /nfs/dbraw/zinc/93/75/12/1025937512.db2.gz JWANZXSVVCGWDW-HNNXBMFYSA-N 0 1 306.296 3.971 20 30 DHEDMN N#C[C@H](C(=O)c1occc1-c1ccc(F)cc1)c1ccccn1 ZINC000152260118 1025937517 /nfs/dbraw/zinc/93/75/17/1025937517.db2.gz JWANZXSVVCGWDW-HNNXBMFYSA-N 0 1 306.296 3.971 20 30 DHEDMN C=CCCCCCN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000532967938 1026154197 /nfs/dbraw/zinc/15/41/97/1026154197.db2.gz KIUWZFNNBPJNNN-UHFFFAOYSA-N 0 1 319.405 3.520 20 30 DHEDMN CC(C)(O)c1ccc(C=NN=c2[nH]c3ccccc3s2)cc1 ZINC000807943966 1026155618 /nfs/dbraw/zinc/15/56/18/1026155618.db2.gz UCCOSCCEOFKAGD-UHFFFAOYSA-N 0 1 311.410 3.970 20 30 DHEDMN CC(C)(O)c1ccc(C=NNc2nc3ccccc3s2)cc1 ZINC000807943966 1026155628 /nfs/dbraw/zinc/15/56/28/1026155628.db2.gz UCCOSCCEOFKAGD-UHFFFAOYSA-N 0 1 311.410 3.970 20 30 DHEDMN C(=NNc1nccnc1C1CCC1)c1coc(-c2ccccc2)n1 ZINC000807993629 1026168754 /nfs/dbraw/zinc/16/87/54/1026168754.db2.gz BPSAWMAGRBDQSX-UHFFFAOYSA-N 0 1 319.368 3.845 20 30 DHEDMN C#CCCOc1ccc(CN[C@@H]2c3ccccc3O[C@@H]2C)cc1 ZINC000808443498 1026287667 /nfs/dbraw/zinc/28/76/67/1026287667.db2.gz FQVDIAAKIOPBSS-QRWLVFNGSA-N 0 1 307.393 3.701 20 30 DHEDMN N#Cc1cnc(Sc2nc(-c3ccccc3)n[nH]2)c(Cl)c1 ZINC000513650418 1026550343 /nfs/dbraw/zinc/55/03/43/1026550343.db2.gz NBCNRUONRVUMKQ-UHFFFAOYSA-N 0 1 313.773 3.543 20 30 DHEDMN C#C[C@H](NC[C@H]1CCO[C@@H](CC)C1)c1ccc(Cl)cc1F ZINC000809699600 1026586584 /nfs/dbraw/zinc/58/65/84/1026586584.db2.gz QTCNYQRZQGTWPV-JDFRZJQESA-N 0 1 309.812 3.948 20 30 DHEDMN C#C[C@H](N[C@H](C)CC1CCOCC1)c1ccc(Cl)cc1F ZINC000809699043 1026586611 /nfs/dbraw/zinc/58/66/11/1026586611.db2.gz KCMCCPQINQQRJN-PXAZEXFGSA-N 0 1 309.812 3.948 20 30 DHEDMN C#C[C@@H](NCc1c(C)nn(Cc2ccccc2)c1Cl)C(C)C ZINC000809684464 1026590994 /nfs/dbraw/zinc/59/09/94/1026590994.db2.gz CXMSLFYSHSJBMA-QGZVFWFLSA-N 0 1 315.848 3.641 20 30 DHEDMN C#C[C@H](C)NCc1cnc(-c2ccc(Br)cc2)s1 ZINC000809684132 1026591914 /nfs/dbraw/zinc/59/19/14/1026591914.db2.gz OVAQBHSQVGUPHX-JTQLQIEISA-N 0 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MXFREOAAACVWTR-GFCCVEGCSA-N 0 1 300.299 3.862 20 30 DHEDMN CCN(C[C@H](C)C#N)C(=O)CN(C(C)C)[C@@H](C)c1ccsc1 ZINC000421000357 1026910473 /nfs/dbraw/zinc/91/04/73/1026910473.db2.gz DELVJRZTEGZMJW-CABCVRRESA-N 0 1 321.490 3.528 20 30 DHEDMN C=CCCOCCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811485382 1027009478 /nfs/dbraw/zinc/00/94/78/1027009478.db2.gz IGMYXAPVOLHKJV-UHFFFAOYSA-N 0 1 319.188 3.584 20 30 DHEDMN C=CCCCCCCCNC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000811589868 1027036062 /nfs/dbraw/zinc/03/60/62/1027036062.db2.gz JSACCYCGBIFMKF-UHFFFAOYSA-N 0 1 312.417 3.728 20 30 DHEDMN Cc1nc(Cl)cc(N=NCc2cscc2C(F)(F)F)n1 ZINC000811642931 1027047866 /nfs/dbraw/zinc/04/78/66/1027047866.db2.gz LMILUNAGRBKDKA-UHFFFAOYSA-N 0 1 320.727 3.965 20 30 DHEDMN C[C@@H]1C(N=Nc2cc(Cl)ccn2)CCN1Cc1ccccc1 ZINC000811646954 1027049673 /nfs/dbraw/zinc/04/96/73/1027049673.db2.gz RZENACFKRLAZCK-CYBMUJFWSA-N 0 1 314.820 3.797 20 30 DHEDMN C[C@H](C#N)Oc1ccc(/C=C/C(=O)c2cc(F)ccc2O)cc1 ZINC000156671061 1027140051 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Cc1nc(N[C@H](C)c2nc3ccc(Cl)cc3[nH]2)ccc1C#N ZINC000813593974 1027672753 /nfs/dbraw/zinc/67/27/53/1027672753.db2.gz HUPPASGTVVRLPC-SNVBAGLBSA-N 0 1 311.776 3.965 20 30 DHEDMN N#Cc1ccc([C@@H]2CN([C@H]3CCc4ccccc43)CCO2)cc1 ZINC000933627627 1027780253 /nfs/dbraw/zinc/78/02/53/1027780253.db2.gz GWZLGVUSBDDBOT-PMACEKPBSA-N 0 1 304.393 3.619 20 30 DHEDMN C=CC1CCN(CC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000600679925 1027784034 /nfs/dbraw/zinc/78/40/34/1027784034.db2.gz FXQZSVBXXDLXKX-UHFFFAOYSA-N 0 1 312.335 3.542 20 30 DHEDMN N#Cc1ccc(CN2CCC[C@@]3(C=Cc4ccccc4O3)C2)o1 ZINC000933657701 1027793939 /nfs/dbraw/zinc/79/39/39/1027793939.db2.gz WMXHHXNNUHNHLQ-LJQANCHMSA-N 0 1 306.365 3.592 20 30 DHEDMN N#Cc1ccc(CCN2CCc3c(Cl)cc(F)cc3C2)cc1 ZINC001170722635 1027845748 /nfs/dbraw/zinc/84/57/48/1027845748.db2.gz KAHCQCQISMMFCU-UHFFFAOYSA-N 0 1 314.791 3.952 20 30 DHEDMN C=CC(C)(C)CNCc1ncc(Cl)cc1Br ZINC000527718114 1027860194 /nfs/dbraw/zinc/86/01/94/1027860194.db2.gz VETVIVQZSMLVJV-UHFFFAOYSA-N 0 1 303.631 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GUXXAXSHWIHYGF-UHFFFAOYSA-N 0 1 319.368 3.591 20 30 DHEDMN CCCCCCCN[C@@H](C)c1ncc(Br)cn1 ZINC000814656125 1028138073 /nfs/dbraw/zinc/13/80/73/1028138073.db2.gz RMXIEDBZCLEZTR-NSHDSACASA-N 0 1 300.244 3.860 20 30 DHEDMN CCCCCCCCCC(=O)Nc1nc(-c2ccncc2)n[nH]1 ZINC000814650652 1028139655 /nfs/dbraw/zinc/13/96/55/1028139655.db2.gz VYEIPBYDFWJXTL-UHFFFAOYSA-N 0 1 315.421 3.946 20 30 DHEDMN C[C@@H]1CCSCCN1Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000367567499 1028204653 /nfs/dbraw/zinc/20/46/53/1028204653.db2.gz WMNQGMKCWBIRLI-CYBMUJFWSA-N 0 1 313.426 3.541 20 30 DHEDMN Cc1c(C=NNc2cnnc3ccccc32)n(C)c2ccccc12 ZINC000814849240 1028245470 /nfs/dbraw/zinc/24/54/70/1028245470.db2.gz NNAWSULPGIGZKH-UHFFFAOYSA-N 0 1 315.380 3.876 20 30 DHEDMN CC(=[NH+][N-]c1cccc(C(F)(F)F)n1)c1cc(N)ccc1F ZINC000814853408 1028248151 /nfs/dbraw/zinc/24/81/51/1028248151.db2.gz MWAMTGCHAXWWTJ-UHFFFAOYSA-N 0 1 312.270 3.658 20 30 DHEDMN COc1ccc(C#N)cc1CN1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000367872650 1028254367 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ZINC000815444474 1028500979 /nfs/dbraw/zinc/50/09/79/1028500979.db2.gz COBFECYCOSXXFE-MSOLQXFVSA-N 0 1 318.461 3.799 20 30 DHEDMN C[C@H]1CCc2sc(C(=O)Nc3cc(C#N)ccc3O)cc2C1 ZINC000748002786 1028520019 /nfs/dbraw/zinc/52/00/19/1028520019.db2.gz QIRSQDJEDUOVLA-JTQLQIEISA-N 0 1 312.394 3.702 20 30 DHEDMN CC(C)c1cccc(O[C@@H](C)C(=O)Nc2cc(C#N)ccc2O)c1 ZINC000748003368 1028536982 /nfs/dbraw/zinc/53/69/82/1028536982.db2.gz ORAFHDGQCBHOTE-ZDUSSCGKSA-N 0 1 324.380 3.793 20 30 DHEDMN C=CCC(F)(F)C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000815544355 1028548174 /nfs/dbraw/zinc/54/81/74/1028548174.db2.gz RZQYPXJLJOAEHG-NSHDSACASA-N 0 1 319.138 3.886 20 30 DHEDMN Cc1cc(C(C#N)C(=O)C(F)=CC2CCCCC2)nc(C)n1 ZINC000815906316 1028646974 /nfs/dbraw/zinc/64/69/74/1028646974.db2.gz VBYNXVGEQSIBKX-AHSSXEFNSA-N 0 1 301.365 3.703 20 30 DHEDMN C=CCOc1ccc(CNC2(CF)CCOCC2)cc1Cl ZINC000449446885 1028648632 /nfs/dbraw/zinc/64/86/32/1028648632.db2.gz VDWGJOYMBAHXRO-UHFFFAOYSA-N 0 1 313.800 3.513 20 30 DHEDMN 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DHEDMN N#CCCCOc1cccc(/C=C/C(=O)c2ccccc2O)c1 ZINC000156605118 1038148840 /nfs/dbraw/zinc/14/88/40/1038148840.db2.gz HSCHCBDIWCVOGE-ZHACJKMWSA-N 0 1 307.349 3.971 20 30 DHEDMN N#CCCC1CCN(Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000571802690 1038253578 /nfs/dbraw/zinc/25/35/78/1038253578.db2.gz MSZIEPMKPGZWPF-UHFFFAOYSA-N 0 1 312.335 3.943 20 30 DHEDMN CCc1[nH]ncc1C(=O)Nc1ccccc1-c1ccc(C#N)cc1 ZINC001190142226 1038267126 /nfs/dbraw/zinc/26/71/26/1038267126.db2.gz CGQGIYJKFMCAOP-UHFFFAOYSA-N 0 1 316.364 3.763 20 30 DHEDMN C=C(C)Cc1ccc(C(=O)Nc2ccccc2-c2nnc[nH]2)cc1 ZINC001190231266 1038277359 /nfs/dbraw/zinc/27/73/59/1038277359.db2.gz CEEFGRRRLWKFJJ-UHFFFAOYSA-N 0 1 318.380 3.843 20 30 DHEDMN C=Cc1cccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC001190972848 1038411930 /nfs/dbraw/zinc/41/19/30/1038411930.db2.gz MBHHYZOKEJGOAS-UHFFFAOYSA-N 0 1 318.785 3.655 20 30 DHEDMN CC(C)CN(CCC#N)CCCN(C(=O)OC(C)(C)C)C1CC1 ZINC001191134258 1038456789 /nfs/dbraw/zinc/45/67/89/1038456789.db2.gz XJVPBQYFAZMNEN-UHFFFAOYSA-N 0 1 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1039816120 /nfs/dbraw/zinc/81/61/20/1039816120.db2.gz IZGITCRNTFNQCC-UHFFFAOYSA-N 0 1 318.424 3.734 20 30 DHEDMN CC(C)Cn1nccc1CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594517716 1039823572 /nfs/dbraw/zinc/82/35/72/1039823572.db2.gz MEDSNSOKSYYHAR-UHFFFAOYSA-N 0 1 308.429 3.580 20 30 DHEDMN C=CCCSCCNCc1cc(O)ccc1Br ZINC000594960232 1039964799 /nfs/dbraw/zinc/96/47/99/1039964799.db2.gz NQMAHGDGUFUBRT-UHFFFAOYSA-N 0 1 316.264 3.554 20 30 DHEDMN N#Cc1ccc(C2(NCc3cc(C#N)ccc3F)CCC2)cc1 ZINC000594033008 1039970007 /nfs/dbraw/zinc/97/00/07/1039970007.db2.gz VOTKVPABPJMVJI-UHFFFAOYSA-N 0 1 305.356 3.738 20 30 DHEDMN Cc1ccc(CNCC2(C#N)CCCCC2)c(-c2ccnn2C)c1 ZINC000594980987 1039993140 /nfs/dbraw/zinc/99/31/40/1039993140.db2.gz DWQSSQPWDODKRI-UHFFFAOYSA-N 0 1 322.456 3.959 20 30 DHEDMN CCc1ccc(CNC2(c3cccc(C#N)c3)CCOCC2)o1 ZINC000594983230 1040000916 /nfs/dbraw/zinc/00/09/16/1040000916.db2.gz IRUFABKHTLWVGD-UHFFFAOYSA-N 0 1 310.397 3.509 20 30 DHEDMN C[C@@H](CC(=O)Nc1ccc(F)cc1)NCC1(C#N)CCCCC1 ZINC000595101621 1040065398 /nfs/dbraw/zinc/06/53/98/1040065398.db2.gz XYDNXGNJTGDKMM-AWEZNQCLSA-N 0 1 317.408 3.606 20 30 DHEDMN COc1ccc(-c2cc(CN[C@@H]3CCC[C@@H](C#N)C3)on2)cc1 ZINC000595076312 1040070831 /nfs/dbraw/zinc/07/08/31/1040070831.db2.gz IFYLNLXUPWYRNB-UKRRQHHQSA-N 0 1 311.385 3.522 20 30 DHEDMN CC(C)N(Cc1ccc(C#N)cc1)Cc1cnc2ccccc2n1 ZINC000595297555 1040094930 /nfs/dbraw/zinc/09/49/30/1040094930.db2.gz WCMVGLDDRMJCBP-UHFFFAOYSA-N 0 1 316.408 3.912 20 30 DHEDMN C=CCN(Cc1ccc(C#N)cc1C(F)(F)F)[C@@H](C)COC ZINC000595638294 1040198233 /nfs/dbraw/zinc/19/82/33/1040198233.db2.gz FTVVJFHZKYRYAO-LBPRGKRZSA-N 0 1 312.335 3.600 20 30 DHEDMN N#Cc1cccc(-c2nnc(CN3CCC(C4CCC4)CC3)o2)c1 ZINC000595658660 1040217371 /nfs/dbraw/zinc/21/73/71/1040217371.db2.gz GVMXZNGCPGIBMX-UHFFFAOYSA-N 0 1 322.412 3.620 20 30 DHEDMN C=CCN(CC(=O)Nc1ccccc1SCC#N)C(C)(C)C ZINC000595764805 1040235975 /nfs/dbraw/zinc/23/59/75/1040235975.db2.gz DBVWOOUNASLLIE-UHFFFAOYSA-N 0 1 317.458 3.527 20 30 DHEDMN COc1cccc(C2(NCc3cccc(C#N)c3F)CCC2)c1 ZINC000595852612 1040261692 /nfs/dbraw/zinc/26/16/92/1040261692.db2.gz PSPZGUDHMBGNJX-UHFFFAOYSA-N 0 1 310.372 3.875 20 30 DHEDMN N#CC(C(=O)CC1CCC1)C(=O)Nc1cccc2ccccc21 ZINC000173970787 1040471225 /nfs/dbraw/zinc/47/12/25/1040471225.db2.gz IZEBMYMXDIYTPD-MRXNPFEDSA-N 0 1 306.365 3.677 20 30 DHEDMN N#CC1(c2ccc(CN3CCN(c4ccccc4)CC3)cc2)CC1 ZINC000596978166 1040614935 /nfs/dbraw/zinc/61/49/35/1040614935.db2.gz VKBOYSASPLOMOV-UHFFFAOYSA-N 0 1 317.436 3.564 20 30 DHEDMN Cc1nn(-c2cccc(C)c2)cc1CN1CCC[C@@H](CC#N)C1 ZINC000597177497 1040677824 /nfs/dbraw/zinc/67/78/24/1040677824.db2.gz NGYLIDQVHCPUBN-KRWDZBQOSA-N 0 1 308.429 3.615 20 30 DHEDMN CC[N@@H+](CCOc1ccccc1OC)Cc1cc(C#N)cs1 ZINC000597239400 1040701322 /nfs/dbraw/zinc/70/13/22/1040701322.db2.gz RMCNGOHZXXUGJL-UHFFFAOYSA-N 0 1 316.426 3.529 20 30 DHEDMN CCN(CCOc1ccccc1OC)Cc1cc(C#N)cs1 ZINC000597239400 1040701335 /nfs/dbraw/zinc/70/13/35/1040701335.db2.gz RMCNGOHZXXUGJL-UHFFFAOYSA-N 0 1 316.426 3.529 20 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C=CCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000376878892 337043070 /nfs/dbraw/zinc/04/30/70/337043070.db2.gz YLUFDXJGQMDMHC-CHWSQXEVSA-N 0 1 317.820 3.792 20 30 DHEDMN C=CCCC(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000171086413 337086643 /nfs/dbraw/zinc/08/66/43/337086643.db2.gz NGZIXKXNXVWDDJ-IBGZPJMESA-N 0 1 305.381 3.735 20 30 DHEDMN CC(C)(NCc1ccc(CC#N)cc1)c1ccccc1[N+](=O)[O-] ZINC000429246787 337144073 /nfs/dbraw/zinc/14/40/73/337144073.db2.gz HLVDIZPHUDEVFE-UHFFFAOYSA-N 0 1 309.369 3.686 20 30 DHEDMN C=CCN(Cc1cccc(C#N)c1)Cc1cccc(COC)c1 ZINC000179203792 337168181 /nfs/dbraw/zinc/16/81/81/337168181.db2.gz GCOAXPKITPGFLK-UHFFFAOYSA-N 0 1 306.409 3.893 20 30 DHEDMN C#CCCCCC(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000179895050 337171831 /nfs/dbraw/zinc/17/18/31/337171831.db2.gz ZWCQGINXGZRVCL-QGZVFWFLSA-N 0 1 309.413 3.728 20 30 DHEDMN CCOc1cc(Cl)ccc1C(=O)C(C#N)c1ccccn1 ZINC000181411015 337184028 /nfs/dbraw/zinc/18/40/28/337184028.db2.gz RXEZOULVYQKUKR-CYBMUJFWSA-N 0 1 300.745 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20 30 DHEDMN C=CCC1(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)CCCC1 ZINC000449063523 338589639 /nfs/dbraw/zinc/58/96/39/338589639.db2.gz PZLGSDVWODIDNG-KRWDZBQOSA-N 0 1 318.436 3.681 20 30 DHEDMN C=CCC1(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)CCCC1 ZINC000449063524 338589644 /nfs/dbraw/zinc/58/96/44/338589644.db2.gz PZLGSDVWODIDNG-QGZVFWFLSA-N 0 1 318.436 3.681 20 30 DHEDMN C=C[C@@H]1OCCC[C@H]1NCc1csc(-c2ccc(F)cc2)n1 ZINC000449549415 338636884 /nfs/dbraw/zinc/63/68/84/338636884.db2.gz XUCBVQBBBXZEJM-CVEARBPZSA-N 0 1 318.417 3.772 20 30 DHEDMN Cc1nc(N(C)Cc2cc(C(C)(C)C)[nH]n2)c(Cl)cc1C#N ZINC000461949171 339069524 /nfs/dbraw/zinc/06/95/24/339069524.db2.gz QBGVOMOZSNZQOA-UHFFFAOYSA-N 0 1 317.824 3.572 20 30 DHEDMN C=C(C)C[C@H](C)C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000466861788 339219297 /nfs/dbraw/zinc/21/92/97/339219297.db2.gz GQQRHVFZFQOOPZ-VIFPVBQESA-N 0 1 322.206 3.866 20 30 DHEDMN C=CCCN(C)CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000467300481 339230384 /nfs/dbraw/zinc/23/03/84/339230384.db2.gz 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/nfs/dbraw/zinc/26/58/52/340265852.db2.gz VFWCRTJSDJRAFS-UHFFFAOYSA-N 0 1 301.217 3.830 20 30 DHEDMN C=CCC[C@@H](O)CN1CCc2c(Br)cccc2[C@@H]1C ZINC000509415616 340268758 /nfs/dbraw/zinc/26/87/58/340268758.db2.gz KGPDRZPHZUKGGP-QWHCGFSZSA-N 0 1 324.262 3.695 20 30 DHEDMN C=C(C)CN(CC)CC(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000302739354 340280469 /nfs/dbraw/zinc/28/04/69/340280469.db2.gz IFXIMHZVSJZRJE-GOSISDBHSA-N 0 1 302.462 3.788 20 30 DHEDMN C=CCOCCCC(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000173173248 340359415 /nfs/dbraw/zinc/35/94/15/340359415.db2.gz ATGJCTDXXLOSFP-UHFFFAOYSA-N 0 1 315.417 3.782 20 30 DHEDMN C[C@@H]1[C@@H](C)CCCN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174873921 340398181 /nfs/dbraw/zinc/39/81/81/340398181.db2.gz MYULOBDBHJSQHD-JKSUJKDBSA-N 0 1 323.440 3.858 20 30 DHEDMN CC(C)c1nc(CN(C)Cc2cccc(C#N)c2)c2ccccn21 ZINC000516931557 340459044 /nfs/dbraw/zinc/45/90/44/340459044.db2.gz FPOPRLZJHRKRNZ-UHFFFAOYSA-N 0 1 318.424 3.961 20 30 DHEDMN Cn1cc(CN[C@@H](c2ccccc2)c2ccc(F)cc2)cc1C#N ZINC000190881354 340547729 /nfs/dbraw/zinc/54/77/29/340547729.db2.gz SGISHUKKEYYLCV-FQEVSTJZSA-N 0 1 319.383 3.915 20 30 DHEDMN COC[C@H](NCc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000193282219 340575510 /nfs/dbraw/zinc/57/55/10/340575510.db2.gz HGNYEGXEWFDDAY-KRWDZBQOSA-N 0 1 300.789 3.689 20 30 DHEDMN C=C(C)COCCNCc1csc(-c2ccc(F)cc2)n1 ZINC000125771893 340808502 /nfs/dbraw/zinc/80/85/02/340808502.db2.gz XBHBXPXWFUBGCR-UHFFFAOYSA-N 0 1 306.406 3.632 20 30 DHEDMN COc1ccc(C2(NCC#Cc3ccccc3Cl)CC2)cc1 ZINC000539259338 340878670 /nfs/dbraw/zinc/87/86/70/340878670.db2.gz CXYGCBWSNYKZDU-UHFFFAOYSA-N 0 1 311.812 3.979 20 30 DHEDMN C[C@H](NCC#Cc1ccc(Cl)cc1)c1ccc2c(c1)OCO2 ZINC000539269874 340879010 /nfs/dbraw/zinc/87/90/10/340879010.db2.gz LWWGXZSOZCPGGV-ZDUSSCGKSA-N 0 1 313.784 3.771 20 30 DHEDMN C=CC[C@@H](C)NCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000542305528 341003870 /nfs/dbraw/zinc/00/38/70/341003870.db2.gz FEWQBVQAEVIGQS-SNVBAGLBSA-N 0 1 311.216 3.628 20 30 DHEDMN C[C@H](NCc1ccc(F)cc1C#N)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000542620086 341015175 /nfs/dbraw/zinc/01/51/75/341015175.db2.gz QAZAHBBKLIOWRB-WTOJCKNJSA-N 0 1 310.372 3.740 20 30 DHEDMN C=CCOc1ccc(CN2CCC(CCCO)CC2)cc1Cl ZINC000543102244 341032098 /nfs/dbraw/zinc/03/20/98/341032098.db2.gz HRDKTRQYGIRCOV-UHFFFAOYSA-N 0 1 323.864 3.889 20 30 DHEDMN CC(C)n1cc([C@@H](C)NCC#Cc2ccccc2Cl)cn1 ZINC000544467541 341083416 /nfs/dbraw/zinc/08/34/16/341083416.db2.gz BHPREVPPFJDQSS-CQSZACIVSA-N 0 1 301.821 3.820 20 30 DHEDMN CC(C)n1cc([C@@H](C)NCC#Cc2ccc(Cl)cc2)cn1 ZINC000544469729 341083444 /nfs/dbraw/zinc/08/34/44/341083444.db2.gz QDPMAYIPXCAXAM-CQSZACIVSA-N 0 1 301.821 3.820 20 30 DHEDMN CC(C)(C)N(CCC(C)(C)C#N)CC(=O)Nc1ccc(F)cc1 ZINC000131934207 341113854 /nfs/dbraw/zinc/11/38/54/341113854.db2.gz IBSHGIFXAUJQPC-UHFFFAOYSA-N 0 1 319.424 3.805 20 30 DHEDMN Clc1ccc(C#CCN2CCC[C@H](c3ccncc3)C2)cc1 ZINC000564294192 341141034 /nfs/dbraw/zinc/14/10/34/341141034.db2.gz RLGUSMDQALGQGQ-SFHVURJKSA-N 0 1 310.828 3.966 20 30 DHEDMN C=CCCCN(C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000076734184 341213228 /nfs/dbraw/zinc/21/32/28/341213228.db2.gz LEPNYCXUESCZIR-LBPRGKRZSA-N 0 1 310.825 3.574 20 30 DHEDMN N#Cc1ccc(CNCc2ccc(Br)cc2)s1 ZINC000135687169 341244055 /nfs/dbraw/zinc/24/40/55/341244055.db2.gz XQJSWWVVNCASFG-UHFFFAOYSA-N 0 1 307.216 3.672 20 30 DHEDMN CC(C)(C#N)CCCN1CCC[C@H]1c1nc2c([nH]1)CCCC2 ZINC000548350326 341256476 /nfs/dbraw/zinc/25/64/76/341256476.db2.gz KDZLSONHUMTCSL-INIZCTEOSA-N 0 1 300.450 3.755 20 30 DHEDMN N#CC(C(=O)c1coc(C2CCCC2)n1)c1nc2ccccc2[nH]1 ZINC000549086402 341285747 /nfs/dbraw/zinc/28/57/47/341285747.db2.gz QXVXBEZMFWFTTE-LBPRGKRZSA-N 0 1 320.352 3.699 20 30 DHEDMN CC(C)CCC[C@H](C)NC(=O)CN[C@H](C)c1ccc(C#N)cc1 ZINC000549162227 341287708 /nfs/dbraw/zinc/28/77/08/341287708.db2.gz NFPVAQRYWMHPBN-JKSUJKDBSA-N 0 1 315.461 3.540 20 30 DHEDMN C=CCN(Cc1ccccc1F)C[C@@H](O)Cc1ccc(F)cc1 ZINC000549770393 341302793 /nfs/dbraw/zinc/30/27/93/341302793.db2.gz BNWHTUKPJAOKQD-SFHVURJKSA-N 0 1 317.379 3.556 20 30 DHEDMN CC[C@H](C)N(C)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000247092450 341360980 /nfs/dbraw/zinc/36/09/80/341360980.db2.gz JGBVQINBYGYAIB-KGLIPLIRSA-N 0 1 319.474 3.607 20 30 DHEDMN C=CCC[C@H](NCc1c(CC)nn(C)c1CC)c1ccco1 ZINC000552275299 341383255 /nfs/dbraw/zinc/38/32/55/341383255.db2.gz QZJBCSJAYKJFGT-INIZCTEOSA-N 0 1 301.434 3.935 20 30 DHEDMN C=CCCC(=O)Nc1cc(Cl)cc(Br)c1O ZINC000174914078 341833067 /nfs/dbraw/zinc/83/30/67/341833067.db2.gz AEDYARDXFMZDGE-UHFFFAOYSA-N 0 1 304.571 3.713 20 30 DHEDMN C[C@@H](c1ccco1)N(C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000179929292 526134192 /nfs/dbraw/zinc/13/41/92/526134192.db2.gz XWBLHKWCGIFPTB-AWEZNQCLSA-N 0 1 320.396 3.745 20 30 DHEDMN N#Cc1cc(CN2CCC(c3ccccc3CO)CC2)ccc1F ZINC000364804744 526548169 /nfs/dbraw/zinc/54/81/69/526548169.db2.gz IOLRVKXYSSALHW-UHFFFAOYSA-N 0 1 324.399 3.569 20 30 DHEDMN N#Cc1ccc(CN2CCC([C@@H](O)c3ccccc3)CC2)cc1F ZINC000365235078 526611931 /nfs/dbraw/zinc/61/19/31/526611931.db2.gz RWLXCNGAHMJURP-FQEVSTJZSA-N 0 1 324.399 3.643 20 30 DHEDMN N#Cc1cccc(OC2CCN(Cc3cccc(F)c3)CC2)c1 ZINC000104714764 526725549 /nfs/dbraw/zinc/72/55/49/526725549.db2.gz TWCOBSZAFUWMCS-UHFFFAOYSA-N 0 1 310.372 3.741 20 30 DHEDMN Cn1cc(CN2CC=C(c3c[nH]c4ccccc34)CC2)cc1C#N ZINC000191455673 527195378 /nfs/dbraw/zinc/19/53/78/527195378.db2.gz VYAYYPDIYDPYMI-UHFFFAOYSA-N 0 1 316.408 3.667 20 30 DHEDMN CC(C)(C)[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000736252880 600571881 /nfs/dbraw/zinc/57/18/81/600571881.db2.gz SEQSQNHMTDOLPF-DLBZAZTESA-N 0 1 314.429 3.832 20 30 DHEDMN CC(C)(C)[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000736252886 600571900 /nfs/dbraw/zinc/57/19/00/600571900.db2.gz SEQSQNHMTDOLPF-IRXDYDNUSA-N 0 1 314.429 3.832 20 30 DHEDMN N#Cc1ccc([C@@H]([NH2+]Cc2cc3ccccc3s2)C(=O)[O-])cc1 ZINC000739104859 600596028 /nfs/dbraw/zinc/59/60/28/600596028.db2.gz DOPJKEJFJINNOO-QGZVFWFLSA-N 0 1 322.389 3.688 20 30 DHEDMN C[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@H](C(=O)[O-])c1ccccc1 ZINC000830855574 604673121 /nfs/dbraw/zinc/67/31/21/604673121.db2.gz BAJHKANZJUKUCI-SFHVURJKSA-N 0 1 322.408 3.745 20 30 DHEDMN C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(C(=O)[O-])cc1F ZINC000833375930 604752016 /nfs/dbraw/zinc/75/20/16/604752016.db2.gz JPOXEHGQGKPLLY-UHFFFAOYSA-N 0 1 324.355 3.584 20 30 DHEDMN C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(C(=O)[O-])cc1F ZINC000833375930 604752020 /nfs/dbraw/zinc/75/20/20/604752020.db2.gz JPOXEHGQGKPLLY-UHFFFAOYSA-N 0 1 324.355 3.584 20 30 DHEDMN C[N@@H+](CC#Cc1ccccc1Cl)Cc1ccc(C(=O)[O-])cc1 ZINC000833691223 604974941 /nfs/dbraw/zinc/97/49/41/604974941.db2.gz LLSAYQGMIHTRBN-UHFFFAOYSA-N 0 1 313.784 3.522 20 30 DHEDMN C=CCCC[N@H+](C)[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000575995512 605265353 /nfs/dbraw/zinc/26/53/53/605265353.db2.gz OQFQPXSPXSSHIK-ZDUSSCGKSA-N 0 1 301.308 3.729 20 30 DHEDMN C=CCCCCCN1Cc2nn(CC3CC3)cc2[C@H](COC)C1 ZINC001209422758 1013256617 /nfs/dbraw/zinc/25/66/17/1013256617.db2.gz HTKAMXSGJCADIA-KRWDZBQOSA-N 0 1 317.477 3.585 20 30 DHEDMN COc1cccc(C[C@H]2CCC[N@H+]2Cc2cc(C#N)ccc2F)c1 ZINC000518993565 1013258801 /nfs/dbraw/zinc/25/88/01/1013258801.db2.gz LANYKJIWDKKHSM-GOSISDBHSA-N 0 1 324.399 3.913 20 30 DHEDMN C=CCCCCCN1CCN(c2ccc(C(C)=O)cc2)CC1 ZINC001209429221 1013266718 /nfs/dbraw/zinc/26/67/18/1013266718.db2.gz WYUWWOVGNHMZHS-UHFFFAOYSA-N 0 1 300.446 3.758 20 30 DHEDMN C=CCCCN(CC)CC(=O)Nc1ccccc1C(F)(F)F ZINC000117870770 1013280144 /nfs/dbraw/zinc/28/01/44/1013280144.db2.gz MHPNAESZQIHEFT-UHFFFAOYSA-N 0 1 314.351 3.932 20 30 DHEDMN C=C[C@@H]1CCCCN1C[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000894583442 1013427191 /nfs/dbraw/zinc/42/71/91/1013427191.db2.gz AJJASMRMRJHJHN-CHWSQXEVSA-N 0 1 318.408 3.575 20 30 DHEDMN C#CCCCCCC[N@@H+]1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001588441275 964050817 /nfs/dbraw/zinc/05/08/17/964050817.db2.gz CJSFFCUHKAWWKW-CQSZACIVSA-N 0 1 320.458 3.870 20 30 DHEDMN Cc1cccc2c1CC[N@@H+](CCCOc1ccc(C#N)cc1)C2 ZINC000729476950 1013552800 /nfs/dbraw/zinc/55/28/00/1013552800.db2.gz GJSCMURHKXDTKM-UHFFFAOYSA-N 0 1 306.409 3.694 20 30 DHEDMN Cc1[nH]c(SCc2ccc(C#N)cn2)nc1Cc1ccccc1 ZINC000519621584 1013582483 /nfs/dbraw/zinc/58/24/83/1013582483.db2.gz HPTOLVAJXHKYPF-UHFFFAOYSA-N 0 1 320.421 3.868 20 30 DHEDMN Cc1ccccc1[C@H](C)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC001167287619 1013593037 /nfs/dbraw/zinc/59/30/37/1013593037.db2.gz RQXVGPAKDIOAOJ-INIZCTEOSA-N 0 1 323.415 3.889 20 30 DHEDMN N#Cc1ccc(CCC(=O)Nc2cc(Cl)c(O)cc2F)cc1 ZINC000519729181 1013596223 /nfs/dbraw/zinc/59/62/23/1013596223.db2.gz SVTRNMFIQPSGHU-UHFFFAOYSA-N 0 1 318.735 3.628 20 30 DHEDMN COc1ccc(C)cc1CNCc1cccc(OCCCC#N)c1 ZINC000608861160 1013640696 /nfs/dbraw/zinc/64/06/96/1013640696.db2.gz ZRHALVBUYJWPQU-UHFFFAOYSA-N 0 1 324.424 3.976 20 30 DHEDMN N#Cc1ccc(CN2CCC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000520413076 1013733399 /nfs/dbraw/zinc/73/33/99/1013733399.db2.gz MAKVGPQNBVRWEU-QGZVFWFLSA-N 0 1 307.353 3.804 20 30 DHEDMN C[C@H](C1CCCCC1)N(C)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000328688319 1013792413 /nfs/dbraw/zinc/79/24/13/1013792413.db2.gz HOVQUCYBDWASQQ-DOMZBBRYSA-N 0 1 304.438 3.602 20 30 DHEDMN Cc1cc([C@@H]2CCCN(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)C2)n[nH]1 ZINC000328679934 1013793149 /nfs/dbraw/zinc/79/31/49/1013793149.db2.gz BSZNYRSLGAOHPR-ARLBYUKCSA-N 0 1 318.465 3.636 20 30 DHEDMN CC1(C)C[N@@H+](CC(=O)NC2(C#N)CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000328860028 1013802202 /nfs/dbraw/zinc/80/22/02/1013802202.db2.gz LHPGGNZNOWWCCI-LSDHHAIUSA-N 0 1 303.450 3.680 20 30 DHEDMN [O-]C(N[C@H]1CCCc2occc21)=[NH+][C@@H]1CCc2ccccc2C1 ZINC000328875370 1013804084 /nfs/dbraw/zinc/80/40/84/1013804084.db2.gz SAJZWTATDHLVGI-WBVHZDCISA-N 0 1 310.397 3.718 20 30 DHEDMN O=C(N[C@@H]1CCc2ccccc2C1)N[C@H]1CCCc2occc21 ZINC000328875370 1013804087 /nfs/dbraw/zinc/80/40/87/1013804087.db2.gz SAJZWTATDHLVGI-WBVHZDCISA-N 0 1 310.397 3.718 20 30 DHEDMN C[C@H](NCc1ccc(Br)cn1)c1cccc(C#N)c1 ZINC000610345115 1013953881 /nfs/dbraw/zinc/95/38/81/1013953881.db2.gz SBERIBNRXXXKMX-NSHDSACASA-N 0 1 316.202 3.567 20 30 DHEDMN N#Cc1ccc(CN2CCCO[C@@H](c3ccccc3)C2)cc1F ZINC000616752280 1014061824 /nfs/dbraw/zinc/06/18/24/1014061824.db2.gz RKXLOUGIMUZAPA-LJQANCHMSA-N 0 1 310.372 3.661 20 30 DHEDMN Cc1cccc(OCC(=O)C(C#N)c2nc(C(C)C)cs2)c1 ZINC000177747231 1014101184 /nfs/dbraw/zinc/10/11/84/1014101184.db2.gz RORSAIAIYCJQGQ-CQSZACIVSA-N 0 1 314.410 3.830 20 30 DHEDMN C=CC[N@H+](CCc1ccccc1)[C@@H](C(=O)[O-])c1ccccc1C ZINC000577380623 974834477 /nfs/dbraw/zinc/83/44/77/974834477.db2.gz FONVBFSUWSSJFB-LJQANCHMSA-N 0 1 309.409 3.851 20 30 DHEDMN CC(C)CN(CCC#N)Cc1ccc(Br)cc1O ZINC000824501912 1030575308 /nfs/dbraw/zinc/57/53/08/1030575308.db2.gz CAFNQUPJASRCDV-UHFFFAOYSA-N 0 1 311.223 3.526 20 30 DHEDMN CC(C)C[N@H+](CCC#N)Cc1ccc(Br)cc1[O-] ZINC000824501912 1030575322 /nfs/dbraw/zinc/57/53/22/1030575322.db2.gz CAFNQUPJASRCDV-UHFFFAOYSA-N 0 1 311.223 3.526 20 30 DHEDMN CC(C)C[N@@H+](CCC#N)Cc1ccc(Br)cc1[O-] ZINC000824501912 1030575336 /nfs/dbraw/zinc/57/53/36/1030575336.db2.gz CAFNQUPJASRCDV-UHFFFAOYSA-N 0 1 311.223 3.526 20 30 DHEDMN C=C[C@H](CC)CC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001125467992 1014307986 /nfs/dbraw/zinc/30/79/86/1014307986.db2.gz UZFVIBAMXOANCR-JFIYKMOQSA-N 0 1 300.446 3.540 20 30 DHEDMN CC(C)Cn1nccc1C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000580951710 1014477994 /nfs/dbraw/zinc/47/79/94/1014477994.db2.gz JBCMYSJTYLYOES-LBPRGKRZSA-N 0 1 316.430 3.609 20 30 DHEDMN C=CCCCCNC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000427816900 1014530526 /nfs/dbraw/zinc/53/05/26/1014530526.db2.gz KDPSDXDIHZFGIW-UHFFFAOYSA-N 0 1 309.822 3.878 20 30 DHEDMN C=CCC[C@H](C(=O)NCCN1CC=C(C)CC1)c1ccccc1 ZINC000427952568 1014557369 /nfs/dbraw/zinc/55/73/69/1014557369.db2.gz UZUJDVXWBKTMJB-IBGZPJMESA-N 0 1 312.457 3.505 20 30 DHEDMN C#CC[C@H]1CCC[N@H+](Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)C1 ZINC000902445949 980891020 /nfs/dbraw/zinc/89/10/20/980891020.db2.gz VXNPITGKJQIHLG-HNNXBMFYSA-N 0 1 323.392 3.880 20 30 DHEDMN C#Cc1ccc(C[N@H+](CC(=O)[O-])[C@H](CC)c2ccccc2)cc1 ZINC001588516165 983560537 /nfs/dbraw/zinc/56/05/37/983560537.db2.gz 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ZINC001588829231 984312242 /nfs/dbraw/zinc/31/22/42/984312242.db2.gz KSKWUOARZHFHJQ-UHFFFAOYSA-N 0 1 301.308 3.800 20 30 DHEDMN C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001588832732 984326118 /nfs/dbraw/zinc/32/61/18/984326118.db2.gz ODAGROBLHYBLLF-GOSISDBHSA-N 0 1 324.355 3.511 20 30 DHEDMN C[C@H]([NH2+]Cc1cccc(C(=O)[O-])c1C#N)c1ccc(Cl)s1 ZINC001599901285 984835576 /nfs/dbraw/zinc/83/55/76/984835576.db2.gz GZFBEIRTZHHNDD-VIFPVBQESA-N 0 1 320.801 3.822 20 30 DHEDMN CC1=CCC[C@H](C)[C@H]1CN1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000443658091 1015079462 /nfs/dbraw/zinc/07/94/62/1015079462.db2.gz NHVAJFXEAGNZMQ-FFZOFVMBSA-N 0 1 310.441 3.924 20 30 DHEDMN C=CCCCN(C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000076736627 1015135747 /nfs/dbraw/zinc/13/57/47/1015135747.db2.gz UCDYHIPKVPWAER-UHFFFAOYSA-N 0 1 309.413 3.636 20 30 DHEDMN Cc1cccc([C@@H](C)N2CCN([C@@H](C#N)c3ccccc3)CC2)c1 ZINC000487438962 1015200191 /nfs/dbraw/zinc/20/01/91/1015200191.db2.gz JHAMYQQRMVYAAH-NQIIRXRSSA-N 0 1 319.452 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1021292628 /nfs/dbraw/zinc/29/26/28/1021292628.db2.gz RJJHIZLNQLUCGN-UHFFFAOYSA-N 0 1 306.312 3.818 20 30 DHEDMN COCCCOc1cccc(C=NNc2cccc(F)c2F)c1 ZINC000743443882 1021292749 /nfs/dbraw/zinc/29/27/49/1021292749.db2.gz VUPVAGIFJNZWNA-UHFFFAOYSA-N 0 1 320.339 3.826 20 30 DHEDMN C[C@@H](NCc1cnc(-c2ccccc2)nc1)c1ccc(C#N)cc1 ZINC000069674575 1021306906 /nfs/dbraw/zinc/30/69/06/1021306906.db2.gz UEECNATUWFSATI-OAHLLOKOSA-N 0 1 314.392 3.866 20 30 DHEDMN C[C@H](c1cccc(C#N)c1)N1CCN(c2ccc(F)cc2)CC1 ZINC000189344347 1021359055 /nfs/dbraw/zinc/35/90/55/1021359055.db2.gz TZYJSZJTXAEBKA-OAHLLOKOSA-N 0 1 309.388 3.581 20 30 DHEDMN N#Cc1ccc(CN2CC[C@@H]3CCC[C@H]3C2)cc1Br ZINC001236856670 1021390714 /nfs/dbraw/zinc/39/07/14/1021390714.db2.gz NMCQXOBPRMHLCS-ZFWWWQNUSA-N 0 1 319.246 3.943 20 30 DHEDMN Cn1c2ccccc2[nH]c1=NN=Cc1cccc2cnccc12 ZINC000782901765 1021397569 /nfs/dbraw/zinc/39/75/69/1021397569.db2.gz PKPVGJSKOSASQN-UHFFFAOYSA-N 0 1 301.353 3.568 20 30 DHEDMN C[C@@H](Sc1nc(-c2ccccn2)n[nH]1)c1cccc(C#N)c1 ZINC000189849009 1021450464 /nfs/dbraw/zinc/45/04/64/1021450464.db2.gz TWTYXLLZUMGOOH-LLVKDONJSA-N 0 1 307.382 3.592 20 30 DHEDMN N#Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1O ZINC000189941259 1021462437 /nfs/dbraw/zinc/46/24/37/1021462437.db2.gz FQEKRIIGKDFSBY-UHFFFAOYSA-N 0 1 306.243 3.535 20 30 DHEDMN CC(C)(C)c1cnc(C(C#N)C(=O)C=CC2CCOCC2)s1 ZINC000797566582 1021465802 /nfs/dbraw/zinc/46/58/02/1021465802.db2.gz NRVZZPKZWXZMJV-ZFDPJTLLSA-N 0 1 318.442 3.600 20 30 DHEDMN CC(C)(C)c1cnc(C(C#N)=C(O)C=CC2CCOCC2)s1 ZINC000797566582 1021465812 /nfs/dbraw/zinc/46/58/12/1021465812.db2.gz NRVZZPKZWXZMJV-ZFDPJTLLSA-N 0 1 318.442 3.600 20 30 DHEDMN CCn1c2ccccc2nc1CN[C@H]1CCc2cc(C#N)ccc21 ZINC000618741899 1021504238 /nfs/dbraw/zinc/50/42/38/1021504238.db2.gz ITDAACWLBMDHIU-KRWDZBQOSA-N 0 1 316.408 3.705 20 30 DHEDMN CC[C@@]1(C)CCCN(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000075998364 1021508755 /nfs/dbraw/zinc/50/87/55/1021508755.db2.gz KNIILSIVZNTSKI-SFHVURJKSA-N 0 1 310.401 3.620 20 30 DHEDMN Cc1cc(CN[C@H](C)c2nc3ccccc3n2C)ccc1C#N ZINC000618757891 1021515601 /nfs/dbraw/zinc/51/56/01/1021515601.db2.gz UYMNBRPUFZAEOQ-CQSZACIVSA-N 0 1 304.397 3.604 20 30 DHEDMN N#Cc1ccc2c(c1)CC[C@H]2NCc1ncccc1C(F)(F)F ZINC000618831492 1021538645 /nfs/dbraw/zinc/53/86/45/1021538645.db2.gz UGLNRMLPMRGXGF-OAHLLOKOSA-N 0 1 317.314 3.749 20 30 DHEDMN C[C@@H](NCC#Cc1ccc(OC(F)(F)F)cc1)c1cccnc1 ZINC000181661451 1021583019 /nfs/dbraw/zinc/58/30/19/1021583019.db2.gz ZYGBTBUSQLPUHJ-CYBMUJFWSA-N 0 1 320.314 3.683 20 30 DHEDMN CC(C)(C#N)CCOC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000924085478 1021593578 /nfs/dbraw/zinc/59/35/78/1021593578.db2.gz HKVVKVFBEPGFOP-UHFFFAOYSA-N 0 1 307.300 3.597 20 30 DHEDMN CO[C@H](C(=O)C(C#N)c1nc2ccccc2s1)C1CCCC1 ZINC000850738798 1021631541 /nfs/dbraw/zinc/63/15/41/1021631541.db2.gz FRJSEAWZXDUEQH-LRDDRELGSA-N 0 1 314.410 3.678 20 30 DHEDMN Cc1csc([C@@H](C#N)C(=O)CC[C@@H]2CC2(Cl)Cl)n1 ZINC000850735926 1021632724 /nfs/dbraw/zinc/63/27/24/1021632724.db2.gz FKLNVQGDOVIWEP-BDAKNGLRSA-N 0 1 303.214 3.602 20 30 DHEDMN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCCC3(CC3)C2)cc1 ZINC000850758915 1021642336 /nfs/dbraw/zinc/64/23/36/1021642336.db2.gz FMPXOFGKBMVVFX-WBVHZDCISA-N 0 1 324.424 3.867 20 30 DHEDMN CC1(C)CC(C(=O)C(C#N)C(=O)NC2CCCC2)CC(C)(C)C1 ZINC000850768870 1021643859 /nfs/dbraw/zinc/64/38/59/1021643859.db2.gz ZYGLMAOJMXAABH-OAHLLOKOSA-N 0 1 318.461 3.607 20 30 DHEDMN CO[C@H](C(=O)C(C#N)c1nc(C(C)C)cs1)C1CCCC1 ZINC000850874108 1021671417 /nfs/dbraw/zinc/67/14/17/1021671417.db2.gz SYIUMODVKSLJHK-DOMZBBRYSA-N 0 1 306.431 3.648 20 30 DHEDMN C=C(C)C[C@@H](CO)N[C@H](C)c1ncc(C(F)(F)F)cc1Cl ZINC000926865309 1021690575 /nfs/dbraw/zinc/69/05/75/1021690575.db2.gz ROCSNJMEMOSXDS-KOLCDFICSA-N 0 1 322.758 3.732 20 30 DHEDMN N#CC(C(=O)[C@@H]1CCCC2(CC2)C1)=C(O)C1(c2ccccc2)CC1 ZINC000851107523 1021739826 /nfs/dbraw/zinc/73/98/26/1021739826.db2.gz LXZPNURHBXZLBB-WBVHZDCISA-N 0 1 321.420 3.967 20 30 DHEDMN N#CC(C(=O)[C@H]1CCCC2(CC2)C1)=C(O)C1(c2ccccc2)CC1 ZINC000851107522 1021740446 /nfs/dbraw/zinc/74/04/46/1021740446.db2.gz LXZPNURHBXZLBB-RDJZCZTQSA-N 0 1 321.420 3.967 20 30 DHEDMN COC(=O)c1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000194961176 1021825057 /nfs/dbraw/zinc/82/50/57/1021825057.db2.gz LDQCLRMGLFMCEM-UHFFFAOYSA-N 0 1 320.392 3.509 20 30 DHEDMN COc1cc(CN2C[C@@H](C(F)(F)F)CC[C@H]2C)ccc1C#N ZINC000619674713 1021825414 /nfs/dbraw/zinc/82/54/14/1021825414.db2.gz CXLQMKCMUBDBRH-RISCZKNCSA-N 0 1 312.335 3.730 20 30 DHEDMN COc1ccccc1[C@@H](C)NCc1ccc(O[C@H](C)C#N)cc1 ZINC000728713131 1021881174 /nfs/dbraw/zinc/88/11/74/1021881174.db2.gz LKJUVVTVISZBMF-HUUCEWRRSA-N 0 1 310.397 3.837 20 30 DHEDMN Cn1cc(CNCc2ccc(C#N)c(Cl)c2)c(C(C)(C)C)n1 ZINC000619748706 1021881957 /nfs/dbraw/zinc/88/19/57/1021881957.db2.gz QTFZJWYRIWRDIW-UHFFFAOYSA-N 0 1 316.836 3.532 20 30 DHEDMN N#Cc1ccc(CNCc2ccnn2-c2ccccc2)cc1Cl ZINC000619748445 1021884375 /nfs/dbraw/zinc/88/43/75/1021884375.db2.gz LNTKNKXVBRDNGB-UHFFFAOYSA-N 0 1 322.799 3.687 20 30 DHEDMN Cc1nn(C(C)C)cc1CNCc1ccc(C#N)c(Cl)c1 ZINC000619748441 1021885510 /nfs/dbraw/zinc/88/55/10/1021885510.db2.gz FDRQUIKUVOXYJG-UHFFFAOYSA-N 0 1 302.809 3.587 20 30 DHEDMN Cc1sc(NC(=O)CN[C@H](C)c2ccsc2)c(C#N)c1C ZINC000619783377 1021894480 /nfs/dbraw/zinc/89/44/80/1021894480.db2.gz QWYMTCZTERTEAV-SNVBAGLBSA-N 0 1 319.455 3.587 20 30 DHEDMN C[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)c1ccsc1 ZINC000619782683 1021896596 /nfs/dbraw/zinc/89/65/96/1021896596.db2.gz JLUICXBRSBGACO-JTQLQIEISA-N 0 1 319.817 3.562 20 30 DHEDMN CCN(Cc1cnn(CC(C)C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000183084225 1021970768 /nfs/dbraw/zinc/97/07/68/1021970768.db2.gz KGYSGQFCXIZQLM-INIZCTEOSA-N 0 1 310.445 3.994 20 30 DHEDMN C#CCOc1ccc([C@@H](C)NCc2nc3cc(C)ccc3[nH]2)cc1 ZINC000766376770 1022086617 /nfs/dbraw/zinc/08/66/17/1022086617.db2.gz CILBOBCWHBPZSN-OAHLLOKOSA-N 0 1 319.408 3.734 20 30 DHEDMN C#CCOc1ccc([C@@H](C)NCc2nc3ccc(C)cc3[nH]2)cc1 ZINC000766376770 1022086633 /nfs/dbraw/zinc/08/66/33/1022086633.db2.gz CILBOBCWHBPZSN-OAHLLOKOSA-N 0 1 319.408 3.734 20 30 DHEDMN Cc1[nH]ncc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000920456958 1022123784 /nfs/dbraw/zinc/12/37/84/1022123784.db2.gz KMRFCXSNDYBQGN-KRWDZBQOSA-N 0 1 316.364 3.626 20 30 DHEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C(F)(F)F)c1O ZINC000620302346 1022125859 /nfs/dbraw/zinc/12/58/59/1022125859.db2.gz ZINCIWUAYRQQMJ-PHIMTYICSA-N 0 1 311.303 3.734 20 30 DHEDMN Cc1ccc(CN(CCC#N)CC2CC2)c(-c2ccnn2C)c1 ZINC000338945851 1022127180 /nfs/dbraw/zinc/12/71/80/1022127180.db2.gz WNOYSHWTXXNBBV-UHFFFAOYSA-N 0 1 308.429 3.521 20 30 DHEDMN Cc1cccc(NC(=O)C(C#N)C(=O)C[C@@H]2CCCC[C@@H]2C)c1 ZINC000920789962 1022175684 /nfs/dbraw/zinc/17/56/84/1022175684.db2.gz JPPBAGUAKRUXNQ-YQQAZPJKSA-N 0 1 312.413 3.859 20 30 DHEDMN COc1ccc2cc(NC(=O)c3ccc(C#N)c(O)c3)ccc2c1 ZINC000804308146 1022250688 /nfs/dbraw/zinc/25/06/88/1022250688.db2.gz PCXVKPVRMWVQFC-UHFFFAOYSA-N 0 1 318.332 3.678 20 30 DHEDMN Clc1cccc(Cl)c1N=NCc1cn(C2CCC2)nn1 ZINC000853318798 1022254720 /nfs/dbraw/zinc/25/47/20/1022254720.db2.gz SQYMVRMWQFVOSA-UHFFFAOYSA-N 0 1 310.188 3.756 20 30 DHEDMN N#Cc1cccc(CN2CCC(Sc3ccccn3)CC2)c1 ZINC000365788138 1022260411 /nfs/dbraw/zinc/26/04/11/1022260411.db2.gz VKTOUBKZLFYIKR-UHFFFAOYSA-N 0 1 309.438 3.710 20 30 DHEDMN CC(C)(C)[C@@H]1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000541391756 1022266638 /nfs/dbraw/zinc/26/66/38/1022266638.db2.gz ARMAUKQWYJJMQE-CYBMUJFWSA-N 0 1 319.836 3.518 20 30 DHEDMN CC(C)(C)CCC(=NNc1ccncc1F)c1cscn1 ZINC000853402088 1022269591 /nfs/dbraw/zinc/26/95/91/1022269591.db2.gz NMVGCOHKMKKESR-UHFFFAOYSA-N 0 1 306.410 3.742 20 30 DHEDMN N#Cc1ccc2nc(NC(=O)/C=C/CCc3ccccc3)[nH]c2c1 ZINC001169189658 1022292003 /nfs/dbraw/zinc/29/20/03/1022292003.db2.gz KPUNNUVFHRFFJT-WEVVVXLNSA-N 0 1 316.364 3.562 20 30 DHEDMN N#Cc1c(F)cccc1NCc1nc2ccc(Cl)cc2[nH]1 ZINC000609496796 1022292636 /nfs/dbraw/zinc/29/26/36/1022292636.db2.gz RQBHTZNDOUIBPX-UHFFFAOYSA-N 0 1 300.724 3.839 20 30 DHEDMN N#CCCCOc1cccc(CNCc2ccc(Cl)cn2)c1 ZINC000182684248 1022300669 /nfs/dbraw/zinc/30/06/69/1022300669.db2.gz SDUAMNRAKLSZKR-UHFFFAOYSA-N 0 1 315.804 3.707 20 30 DHEDMN CC1(C)CN(CCCOc2ccc(C#N)cc2)[C@@H]1c1cccnc1 ZINC000854040331 1022396347 /nfs/dbraw/zinc/39/63/47/1022396347.db2.gz QFEDOLCHUMTWBD-LJQANCHMSA-N 0 1 321.424 3.805 20 30 DHEDMN Cc1cccc2c1[C@@H](C)/C(=C/c1cc(O)ccc1[N+](=O)[O-])C2=O ZINC000766695695 1022402503 /nfs/dbraw/zinc/40/25/03/1022402503.db2.gz LTFVWTPEBMBTAR-GPILYODUSA-N 0 1 309.321 3.992 20 30 DHEDMN CC[C@@H]1CCCCCN1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000610080178 1022416505 /nfs/dbraw/zinc/41/65/05/1022416505.db2.gz QJGYBVHDASCQQC-OAHLLOKOSA-N 0 1 319.836 3.805 20 30 DHEDMN C#Cc1ccc(NC(=O)c2c(C)n[nH]c2C(C)C)c(Cl)c1 ZINC000885671741 1022425850 /nfs/dbraw/zinc/42/58/50/1022425850.db2.gz VNCLNILNHOUTNO-UHFFFAOYSA-N 0 1 301.777 3.729 20 30 DHEDMN O=C(/C=C/c1cnn(-c2ccccc2)c1)c1ccc(O)c(F)c1 ZINC000170851850 1022430789 /nfs/dbraw/zinc/43/07/89/1022430789.db2.gz BLYOLTNXDVUOEJ-SOFGYWHQSA-N 0 1 308.312 3.613 20 30 DHEDMN CC(C)(C)OCc1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1 ZINC000615480038 1022486503 /nfs/dbraw/zinc/48/65/03/1022486503.db2.gz PTAKKBCBVOYPGM-UHFFFAOYSA-N 0 1 324.380 3.831 20 30 DHEDMN C#CCCCCC(=O)N(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000854816403 1022529168 /nfs/dbraw/zinc/52/91/68/1022529168.db2.gz FCUKEQHJSINSSY-LBPRGKRZSA-N 0 1 317.820 3.929 20 30 DHEDMN C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)C#CC(C)(C)C ZINC000854816416 1022530013 /nfs/dbraw/zinc/53/00/13/1022530013.db2.gz KTGVYZKZKMDYAI-LLVKDONJSA-N 0 1 317.820 3.785 20 30 DHEDMN C[C@H](C(=O)OC(C)(C)C)N(CC1CCC(C#N)CC1)C1CC1 ZINC000930715951 1022538367 /nfs/dbraw/zinc/53/83/67/1022538367.db2.gz VFJHNZLUXFGKLE-WLYUNCDWSA-N 0 1 306.450 3.511 20 30 DHEDMN C#Cc1cccc(NC(=O)CN(C)[C@@H](C)c2ccccc2C)c1 ZINC000766856298 1022561865 /nfs/dbraw/zinc/56/18/65/1022561865.db2.gz SBWXXTMCNUAOMB-INIZCTEOSA-N 0 1 306.409 3.608 20 30 DHEDMN CN1CCCC[C@H]1c1ccc(NC2=CC(=O)CC(C)(C)C2)nc1 ZINC001169946574 1022598330 /nfs/dbraw/zinc/59/83/30/1022598330.db2.gz FQZRHMUOCRGEAA-KRWDZBQOSA-N 0 1 313.445 3.923 20 30 DHEDMN C#CCOc1ccc(CN[C@H](C)c2cc(F)ccc2OC)cc1 ZINC000113323974 1022635275 /nfs/dbraw/zinc/63/52/75/1022635275.db2.gz WQZPNJLDWJFMCQ-CQSZACIVSA-N 0 1 313.372 3.697 20 30 DHEDMN C#CCCOc1ccc(CNCc2cccnc2OCCC)cc1 ZINC000113328651 1022635585 /nfs/dbraw/zinc/63/55/85/1022635585.db2.gz RXNAWLUUCBNSIO-UHFFFAOYSA-N 0 1 324.424 3.562 20 30 DHEDMN C[C@H](c1ccc(C#N)cc1)N1CCN(c2ccccc2F)C[C@@H]1C ZINC000616133128 1022643005 /nfs/dbraw/zinc/64/30/05/1022643005.db2.gz YWTJDIDEHWIDIS-JKSUJKDBSA-N 0 1 323.415 3.969 20 30 DHEDMN CC(=NN=c1[nH]c2ccccc2[nH]1)c1ccc(C(C)(C)O)cc1 ZINC000767360949 1022695358 /nfs/dbraw/zinc/69/53/58/1022695358.db2.gz ULQYEVXKTZLWBI-UHFFFAOYSA-N 0 1 308.385 3.626 20 30 DHEDMN CC(=NN=c1cc(C)cc[nH]1)c1nc(C(F)(F)F)cs1 ZINC000767384652 1022707379 /nfs/dbraw/zinc/70/73/79/1022707379.db2.gz HQHSPDPGUCOJGN-UHFFFAOYSA-N 0 1 300.309 3.701 20 30 DHEDMN C[C@H](Cc1ccc(C#N)cc1)N1CCO[C@H](c2ccccc2)C1 ZINC001172304951 1033075401 /nfs/dbraw/zinc/07/54/01/1033075401.db2.gz BOVANBUEBDZZAE-UZLBHIALSA-N 0 1 306.409 3.563 20 30 DHEDMN CCC(CC)n1nc(C)cc1C(=O)C(C#N)c1nc(C)cs1 ZINC000181011787 1022911443 /nfs/dbraw/zinc/91/14/43/1022911443.db2.gz ZBDPGWKMDVXTFZ-ZDUSSCGKSA-N 0 1 316.430 3.808 20 30 DHEDMN CC(C)(C)c1ccc(CC(=O)Nc2cc(C#N)ccc2O)cc1 ZINC000768186226 1022920594 /nfs/dbraw/zinc/92/05/94/1022920594.db2.gz VWBSBAXMXNZCSW-UHFFFAOYSA-N 0 1 308.381 3.743 20 30 DHEDMN COc1ccc(C=NNc2cc(C#N)cc(Cl)n2)c(Cl)c1 ZINC000768377354 1022958756 /nfs/dbraw/zinc/95/87/56/1022958756.db2.gz ZGWYEORIUJUBHV-UHFFFAOYSA-N 0 1 321.167 3.715 20 30 DHEDMN CCCc1ccc(C=C2CCc3c(C#N)c(=O)[nH]cc3C2=O)s1 ZINC000857202531 1022967425 /nfs/dbraw/zinc/96/74/25/1022967425.db2.gz PMTCAOUAVCLVHR-FLIBITNWSA-N 0 1 324.405 3.885 20 30 DHEDMN CC(=[NH+][N-]c1nc2cccnc2s1)c1cnn(C(C)C)c1C ZINC000857219176 1022968950 /nfs/dbraw/zinc/96/89/50/1022968950.db2.gz YPOIYXQRFOADSI-UHFFFAOYSA-N 0 1 314.418 3.613 20 30 DHEDMN Cc1ccc(NC(=O)C[C@H](C)NCC2(C#N)CCC2)cc1Cl ZINC000418137724 1022973505 /nfs/dbraw/zinc/97/35/05/1022973505.db2.gz FDPNZLLPBLEZTL-ZDUSSCGKSA-N 0 1 319.836 3.649 20 30 DHEDMN N#Cc1cnc(Cl)c(CN2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000876585583 1033099517 /nfs/dbraw/zinc/09/95/17/1033099517.db2.gz OXXIIRHQQWMDEB-HNNXBMFYSA-N 0 1 311.816 3.671 20 30 DHEDMN C#CCOc1ccccc1CN[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000298285231 1023030049 /nfs/dbraw/zinc/03/00/49/1023030049.db2.gz DZIMFPCLMPSHGB-HNNXBMFYSA-N 0 1 322.408 3.508 20 30 DHEDMN C#CCOc1ccccc1CN(CC)[C@H](C)c1cccc(O)c1 ZINC000768873954 1023045135 /nfs/dbraw/zinc/04/51/35/1023045135.db2.gz WGQIEPIKHGMJQZ-MRXNPFEDSA-N 0 1 309.409 3.987 20 30 DHEDMN N#CC(C(=O)C1=CCCCC1)c1nc(-c2ccncc2)cs1 ZINC000123564186 1023046616 /nfs/dbraw/zinc/04/66/16/1023046616.db2.gz UFWGCEXYOOGEOW-CQSZACIVSA-N 0 1 309.394 3.882 20 30 DHEDMN Cc1cc([C@@H](C#N)C(=O)c2cc3sccc3s2)nc(C)n1 ZINC000617896816 1023087436 /nfs/dbraw/zinc/08/74/36/1023087436.db2.gz KJRIOWOVVWGRRE-SNVBAGLBSA-N 0 1 313.407 3.860 20 30 DHEDMN Cc1cc(C(C#N)C(=O)c2cc3sccc3s2)nc(C)n1 ZINC000617896816 1023087441 /nfs/dbraw/zinc/08/74/41/1023087441.db2.gz KJRIOWOVVWGRRE-SNVBAGLBSA-N 0 1 313.407 3.860 20 30 DHEDMN COc1cccc(O)c1CN1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000769549141 1023177039 /nfs/dbraw/zinc/17/70/39/1023177039.db2.gz OBHFZIBFNZPRCB-WMZOPIPTSA-N 0 1 322.408 3.673 20 30 DHEDMN C#CCN(CC)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000769730856 1023195285 /nfs/dbraw/zinc/19/52/85/1023195285.db2.gz NOOAENAIGWNNHZ-UHFFFAOYSA-N 0 1 302.421 3.841 20 30 DHEDMN CCC(N=Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000769821784 1023212083 /nfs/dbraw/zinc/21/20/83/1023212083.db2.gz CIBXITKLUINQFV-UHFFFAOYSA-N 0 1 317.320 3.969 20 30 DHEDMN COc1ccc2c(c1)OCC2=NNc1c(F)cccc1Cl ZINC000769827429 1023222999 /nfs/dbraw/zinc/22/29/99/1023222999.db2.gz XPNZZXVKWQVHLX-UHFFFAOYSA-N 0 1 306.724 3.696 20 30 DHEDMN N#C[C@H]1CC[C@H](NCc2cc(Br)ccc2Cl)C1 ZINC000769946477 1023243056 /nfs/dbraw/zinc/24/30/56/1023243056.db2.gz XRBZETBQGZQGKF-CABZTGNLSA-N 0 1 313.626 3.884 20 30 DHEDMN N#Cc1ccc(OCCN[C@@H](c2ccco2)c2ccccc2)cc1 ZINC000181716281 1023383770 /nfs/dbraw/zinc/38/37/70/1023383770.db2.gz QONSHFSCMKOLEE-HXUWFJFHSA-N 0 1 318.376 3.909 20 30 DHEDMN Cn1cc(/C=C\C(=O)c2ccccc2O)c(-c2ccccc2)n1 ZINC000771523635 1023448619 /nfs/dbraw/zinc/44/86/19/1023448619.db2.gz CWQUKHHLOYHVNL-QXMHVHEDSA-N 0 1 304.349 3.689 20 30 DHEDMN Cn1cc(/C=C/C(=O)c2ccccc2O)c(-c2ccccc2)n1 ZINC000771523636 1023448869 /nfs/dbraw/zinc/44/88/69/1023448869.db2.gz CWQUKHHLOYHVNL-VAWYXSNFSA-N 0 1 304.349 3.689 20 30 DHEDMN N#Cc1cc(Cl)ccc1COC(=O)c1c(F)cc(O)cc1F ZINC000772135335 1023518651 /nfs/dbraw/zinc/51/86/51/1023518651.db2.gz CEUYOTROHBGSOC-UHFFFAOYSA-N 0 1 323.682 3.552 20 30 DHEDMN C[C@H](C(=O)OCc1ccc(Cl)cc1C#N)N1[C@H](C)CC[C@@H]1C ZINC000772141275 1023519092 /nfs/dbraw/zinc/51/90/92/1023519092.db2.gz GBWPPFYNWGFXBW-FRRDWIJNSA-N 0 1 320.820 3.516 20 30 DHEDMN C=CC[N@@H+](Cc1ccc(Br)s1)[C@H](C)COC ZINC000661243663 1023537118 /nfs/dbraw/zinc/53/71/18/1023537118.db2.gz MGHSHOUHRMRUBZ-SNVBAGLBSA-N 0 1 304.253 3.534 20 30 DHEDMN C=CCN(Cc1ccc(Br)s1)[C@H](C)COC ZINC000661243663 1023537120 /nfs/dbraw/zinc/53/71/20/1023537120.db2.gz MGHSHOUHRMRUBZ-SNVBAGLBSA-N 0 1 304.253 3.534 20 30 DHEDMN CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cc(C#N)cnc2Cl)C1 ZINC000876796344 1033145030 /nfs/dbraw/zinc/14/50/30/1033145030.db2.gz KHFABWSLRJLCPA-ZIAGYGMSSA-N 0 1 309.866 3.713 20 30 DHEDMN CCS[C@@H]1CC[C@@H](N(C)Cc2cc(C#N)cnc2Cl)C1 ZINC000876796344 1033145035 /nfs/dbraw/zinc/14/50/35/1033145035.db2.gz KHFABWSLRJLCPA-ZIAGYGMSSA-N 0 1 309.866 3.713 20 30 DHEDMN C=CCN(C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)C(C)C ZINC000772430202 1023554066 /nfs/dbraw/zinc/55/40/66/1023554066.db2.gz XXHMIYZFQGVPNI-UHFFFAOYSA-N 0 1 308.332 3.929 20 30 DHEDMN C=CC[C@@H](N[C@@H](C)c1cnc2cc(C)nn2c1C)c1ccncc1 ZINC000772457775 1023557277 /nfs/dbraw/zinc/55/72/77/1023557277.db2.gz ZDPVFCBWVOZBIT-KBXCAEBGSA-N 0 1 321.428 3.709 20 30 DHEDMN C#CCN(Cc1[nH]nc2ccccc21)[C@H]1CCc2ccccc21 ZINC000772596967 1023576907 /nfs/dbraw/zinc/57/69/07/1023576907.db2.gz CVPVSBYIEFWJDQ-FQEVSTJZSA-N 0 1 301.393 3.686 20 30 DHEDMN CCN(CC(=O)C(C#N)c1nc2ccccc2o1)c1ccccc1 ZINC000772650111 1023582121 /nfs/dbraw/zinc/58/21/21/1023582121.db2.gz KKXJYZBXHILBMY-OAHLLOKOSA-N 0 1 319.364 3.531 20 30 DHEDMN C=CC[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(F)c(F)c3)no2)C1 ZINC000661380283 1023585394 /nfs/dbraw/zinc/58/53/94/1023585394.db2.gz MCRQSPMMPGWRHN-GFCCVEGCSA-N 0 1 319.355 3.803 20 30 DHEDMN C=CC[C@@H]1CCCN(Cc2nc(-c3ccc(F)c(F)c3)no2)C1 ZINC000661380283 1023585400 /nfs/dbraw/zinc/58/54/00/1023585400.db2.gz MCRQSPMMPGWRHN-GFCCVEGCSA-N 0 1 319.355 3.803 20 30 DHEDMN C=CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc(C)ccc2OC)C1 ZINC000661380209 1023585542 /nfs/dbraw/zinc/58/55/42/1023585542.db2.gz KVQXMJIMFCGQID-CVEARBPZSA-N 0 1 316.445 3.619 20 30 DHEDMN C=CC[C@H]1CCCN([C@H](C)C(=O)Nc2cc(C)ccc2OC)C1 ZINC000661380209 1023585551 /nfs/dbraw/zinc/58/55/51/1023585551.db2.gz KVQXMJIMFCGQID-CVEARBPZSA-N 0 1 316.445 3.619 20 30 DHEDMN C=C[C@](C)(CC)C(=O)NOCc1ccc(C(F)(F)F)cc1 ZINC000785597608 1023593500 /nfs/dbraw/zinc/59/35/00/1023593500.db2.gz NWNYFLFCJFLNJF-CQSZACIVSA-N 0 1 301.308 3.856 20 30 DHEDMN C=CCCCCCN1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000785714031 1023611648 /nfs/dbraw/zinc/61/16/48/1023611648.db2.gz VABKCHWFISEULT-OALUTQOASA-N 0 1 303.446 3.557 20 30 DHEDMN C=CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(C)(C)C ZINC000661755482 1023734257 /nfs/dbraw/zinc/73/42/57/1023734257.db2.gz RRLXWLPBNMCTSB-UHFFFAOYSA-N 0 1 314.351 3.930 20 30 DHEDMN C[C@H](OC(=O)[C@@H]1CCCN1C1CCCC1)c1cccc(C#N)c1 ZINC000786883491 1023738917 /nfs/dbraw/zinc/73/89/17/1023738917.db2.gz RCGFNMZXASNKCL-KSSFIOAISA-N 0 1 312.413 3.569 20 30 DHEDMN COc1cc(CN2CCC[C@@H](CC#N)C2)ccc1OC(C)C ZINC000597174562 1023770512 /nfs/dbraw/zinc/77/05/12/1023770512.db2.gz QZBYPKPZUGUAAW-HNNXBMFYSA-N 0 1 302.418 3.608 20 30 DHEDMN Clc1cccc(C#CCN2CCC([C@H]3CCCCO3)CC2)c1 ZINC000661862557 1023783853 /nfs/dbraw/zinc/78/38/53/1023783853.db2.gz ANFKWVDTAUZEAT-LJQANCHMSA-N 0 1 317.860 3.973 20 30 DHEDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(CCC#N)CC(C)C ZINC000787408443 1023793031 /nfs/dbraw/zinc/79/30/31/1023793031.db2.gz UNRODPPDXCFGEY-XNTDXEJSSA-N 0 1 301.390 3.870 20 30 DHEDMN C#CC(C)(C)N(C)Cc1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000787997677 1023836213 /nfs/dbraw/zinc/83/62/13/1023836213.db2.gz PDVRSWJMVUJNKP-UHFFFAOYSA-N 0 1 313.832 3.949 20 30 DHEDMN CC(N=Nc1cnnc2ccccc12)c1ccc(C#N)cc1Cl ZINC000788430500 1023880826 /nfs/dbraw/zinc/88/08/26/1023880826.db2.gz VRPVHWHCGOUMFG-UHFFFAOYSA-N 0 1 321.771 3.991 20 30 DHEDMN FC(F)(F)c1cnc(CN=Nc2cnnc3ccccc23)s1 ZINC000788429035 1023881155 /nfs/dbraw/zinc/88/11/55/1023881155.db2.gz YOIAITGBSCWGOA-UHFFFAOYSA-N 0 1 323.303 3.551 20 30 DHEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000662085074 1023892569 /nfs/dbraw/zinc/89/25/69/1023892569.db2.gz ZWHDMCNSLCOIJB-CALCHBBNSA-N 0 1 314.820 3.604 20 30 DHEDMN C=CC(C)(C)CCNC(=O)c1cccc(C(F)(F)F)c1O ZINC001167787536 1023915877 /nfs/dbraw/zinc/91/58/77/1023915877.db2.gz MXYKYSBAKYDEGS-UHFFFAOYSA-N 0 1 301.308 3.743 20 30 DHEDMN COc1ccc2nc(/C=C\C(=O)c3ccccc3O)sc2c1 ZINC000788731173 1023927573 /nfs/dbraw/zinc/92/75/73/1023927573.db2.gz IVMAPKPBPOARKO-HJWRWDBZSA-N 0 1 311.362 3.907 20 30 DHEDMN C=CCN(C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C)C(C)C ZINC000746777248 1023968315 /nfs/dbraw/zinc/96/83/15/1023968315.db2.gz KOFSUZVXMOQBMS-INIZCTEOSA-N 0 1 323.868 3.549 20 30 DHEDMN C=CCCC[C@H](NC(=O)[C@@H](C)Cc1cnc[nH]1)c1ccccc1 ZINC000882235536 1024006551 /nfs/dbraw/zinc/00/65/51/1024006551.db2.gz RCKSQTWHMQQCCW-YJBOKZPZSA-N 0 1 311.429 3.802 20 30 DHEDMN CCc1cccc2c1OCC[C@H]2NCc1ccc(OC)c(C#N)c1 ZINC000266169217 1024036525 /nfs/dbraw/zinc/03/65/25/1024036525.db2.gz BPKUDLVSUSLMBB-GOSISDBHSA-N 0 1 322.408 3.743 20 30 DHEDMN CCCC[C@@H](C)N(C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000562057896 1024181898 /nfs/dbraw/zinc/18/18/98/1024181898.db2.gz HRDDFOHAUKAMLH-GFCCVEGCSA-N 0 1 307.825 3.661 20 30 DHEDMN C[C@H](NCc1cccc(C#N)n1)c1ccccc1C(F)(F)F ZINC000876971040 1033194261 /nfs/dbraw/zinc/19/42/61/1033194261.db2.gz LALDGHHBUSVOTQ-NSHDSACASA-N 0 1 305.303 3.823 20 30 DHEDMN Cc1nn(Cc2ccccc2)c(C)c1CN=Nc1ncccc1C ZINC000790193255 1024241892 /nfs/dbraw/zinc/24/18/92/1024241892.db2.gz ZXYSOXAKUMPWSC-UHFFFAOYSA-N 0 1 319.412 3.698 20 30 DHEDMN Cc1cccnc1NN=Cc1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000790184898 1024246314 /nfs/dbraw/zinc/24/63/14/1024246314.db2.gz CQEGDTXCRWFUIK-UHFFFAOYSA-N 0 1 321.340 3.535 20 30 DHEDMN C=CCOc1cccc(CNC2(c3cccc(C#N)c3)CC2)c1 ZINC000269602407 1024294589 /nfs/dbraw/zinc/29/45/89/1024294589.db2.gz IQKYVIUJAFVQRG-UHFFFAOYSA-N 0 1 304.393 3.902 20 30 DHEDMN COc1cccc2c1OCCC[C@H]2NCc1cc(C#N)cs1 ZINC000883329104 1024383726 /nfs/dbraw/zinc/38/37/26/1024383726.db2.gz DHSJCTHXBMPTEG-OAHLLOKOSA-N 0 1 314.410 3.632 20 30 DHEDMN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000453362938 1024489843 /nfs/dbraw/zinc/48/98/43/1024489843.db2.gz PXQHBDRFOQIJEM-XPKDYRNWSA-N 0 1 300.427 3.804 20 30 DHEDMN CC(C)CN(CCC#N)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000791471702 1024507002 /nfs/dbraw/zinc/50/70/02/1024507002.db2.gz VNBMWUGAYIMDHP-FQEVSTJZSA-N 0 1 310.441 3.615 20 30 DHEDMN CC(C)[C@@H](C#N)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000609485441 1024529908 /nfs/dbraw/zinc/52/99/08/1024529908.db2.gz QEDBQHLGFKZDSX-HXUWFJFHSA-N 0 1 307.441 3.506 20 30 DHEDMN C=CCC1(C(=O)OC[C@@H]2CCCN2Cc2ccco2)CCC1 ZINC000791847899 1024582618 /nfs/dbraw/zinc/58/26/18/1024582618.db2.gz BFLQJIQYDBMLKY-HNNXBMFYSA-N 0 1 303.402 3.534 20 30 DHEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2cncc(Cl)c2)s1 ZINC000453781949 1024588956 /nfs/dbraw/zinc/58/89/56/1024588956.db2.gz TVDCPDFMJDNBLX-LLVKDONJSA-N 0 1 319.817 3.979 20 30 DHEDMN CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cncc(Cl)c2)s1 ZINC000453781949 1024588968 /nfs/dbraw/zinc/58/89/68/1024588968.db2.gz TVDCPDFMJDNBLX-LLVKDONJSA-N 0 1 319.817 3.979 20 30 DHEDMN N#CC(C(=O)C=Cc1ccsc1)c1cnc2ccccc2n1 ZINC000792099951 1024626287 /nfs/dbraw/zinc/62/62/87/1024626287.db2.gz KBYCAVHBRYRSMT-GFUIURDCSA-N 0 1 305.362 3.581 20 30 DHEDMN N#CC(=C(O)C=Cc1ccsc1)c1cnc2ccccc2n1 ZINC000792099951 1024626291 /nfs/dbraw/zinc/62/62/91/1024626291.db2.gz KBYCAVHBRYRSMT-GFUIURDCSA-N 0 1 305.362 3.581 20 30 DHEDMN N#C[C@@H](C(=O)C=Cc1ccccc1F)c1cnc2ccccc2n1 ZINC000792110763 1024626425 /nfs/dbraw/zinc/62/64/25/1024626425.db2.gz UHDSMUOHNCIDIR-ATWMFIQVSA-N 0 1 317.323 3.659 20 30 DHEDMN N#CC(C(=O)C=Cc1ccccc1F)c1cnc2ccccc2n1 ZINC000792110763 1024626430 /nfs/dbraw/zinc/62/64/30/1024626430.db2.gz UHDSMUOHNCIDIR-ATWMFIQVSA-N 0 1 317.323 3.659 20 30 DHEDMN C=CCc1cc(CN2CCC[C@H]2c2cccnc2)cc(OC)c1O ZINC000348906551 1024646520 /nfs/dbraw/zinc/64/65/20/1024646520.db2.gz UFKPDGRVATZQKB-SFHVURJKSA-N 0 1 324.424 3.861 20 30 DHEDMN CN(C)c1ccc(CN(CC#Cc2ccccc2)C2CC2)cc1 ZINC000792206926 1024647652 /nfs/dbraw/zinc/64/76/52/1024647652.db2.gz RLRHADCFPOAWPP-UHFFFAOYSA-N 0 1 304.437 3.769 20 30 DHEDMN O=C(OCC#Cc1ccccc1Cl)c1c(F)cc(O)cc1F ZINC000747065042 1024664251 /nfs/dbraw/zinc/66/42/51/1024664251.db2.gz NGRZMLKXYFSVHV-UHFFFAOYSA-N 0 1 322.694 3.532 20 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COC[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1cccc(OC)c1 ZINC000595065339 1035888142 /nfs/dbraw/zinc/88/81/42/1035888142.db2.gz DEBAIIFOLZOSCF-IFXJQAMLSA-N 0 1 310.397 3.605 20 30 DHEDMN N#CC1(c2ccccn2)CCN([C@@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000906586668 1036011991 /nfs/dbraw/zinc/01/19/91/1036011991.db2.gz IDKPVAAYFDGGPY-QZTJIDSGSA-N 0 1 321.399 3.634 20 30 DHEDMN N#Cc1cccc(-c2nnc(CN3CCC4(C3)CCCCC4)o2)c1 ZINC000075768422 1036028543 /nfs/dbraw/zinc/02/85/43/1036028543.db2.gz XYBSLAAXKUTMDO-UHFFFAOYSA-N 0 1 322.412 3.764 20 30 DHEDMN C#CCOc1cccc(Cl)c1CN1CC[C@@H](OC)C(C)(C)C1 ZINC001181879464 1036030587 /nfs/dbraw/zinc/03/05/87/1036030587.db2.gz HYOLGVMGVXJVFG-QGZVFWFLSA-N 0 1 321.848 3.599 20 30 DHEDMN C[C@@H](CCc1ccccc1)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761757248 1036084192 /nfs/dbraw/zinc/08/41/92/1036084192.db2.gz QGHCJFJXNCAZQH-LAUBAEHRSA-N 0 1 320.436 3.953 20 30 DHEDMN C#CCN(Cc1cccc(NC(C)=O)c1)[C@@H]1CCc2ccccc21 ZINC000101544849 1036097641 /nfs/dbraw/zinc/09/76/41/1036097641.db2.gz 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C=CCOc1ccc(C(=O)Nc2ccc3nc(C)[nH]c3c2)cc1 ZINC000045065352 1038259142 /nfs/dbraw/zinc/25/91/42/1038259142.db2.gz DXZWEYIDWLFBET-UHFFFAOYSA-N 0 1 307.353 3.688 20 30 DHEDMN Cc1cc(C#N)cc(C)c1CN(Cc1ccco1)C[C@@H]1CCCO1 ZINC001190502803 1038330554 /nfs/dbraw/zinc/33/05/54/1038330554.db2.gz DZWRZFSNGCGSDE-IBGZPJMESA-N 0 1 324.424 3.949 20 30 DHEDMN C#CC[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1[O-])c1ccccc1 ZINC000775402658 1038361652 /nfs/dbraw/zinc/36/16/52/1038361652.db2.gz AWFDHAJXBLUUQP-SFHVURJKSA-N 0 1 311.356 3.588 20 30 DHEDMN C=C(CC)CN1CCN([C@H](CC)c2ccc(F)cc2F)CC1 ZINC001191006011 1038417370 /nfs/dbraw/zinc/41/73/70/1038417370.db2.gz XHOILYCVGYCDHC-GOSISDBHSA-N 0 1 308.416 4.000 20 30 DHEDMN CCO[C@H]1C[C@@H](N(C)Cc2ccc(Cl)cc2C#N)C12CCC2 ZINC001191551263 1038520696 /nfs/dbraw/zinc/52/06/96/1038520696.db2.gz PSYDTVUKEIKSNG-SJORKVTESA-N 0 1 318.848 3.991 20 30 DHEDMN Cc1ccc(C)c(CN2CCN([C@@H](C#N)c3ccccc3)CC2)c1 ZINC001191773007 1038538234 /nfs/dbraw/zinc/53/82/34/1038538234.db2.gz 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ZINC000594011627 1039680093 /nfs/dbraw/zinc/68/00/93/1039680093.db2.gz DSUOVCGZVFEAOK-MRXNPFEDSA-N 0 1 304.397 3.783 20 30 DHEDMN CC(C)c1nc([C@@H](C)NCc2ccc(C(C)(C)C#N)cc2)n[nH]1 ZINC000594502326 1039803406 /nfs/dbraw/zinc/80/34/06/1039803406.db2.gz YKIKAAOHNJIBFT-CYBMUJFWSA-N 0 1 311.433 3.580 20 30 DHEDMN CC(C)c1nc([C@H](C)NCc2ccc(C(C)(C)C#N)cc2)n[nH]1 ZINC000594502327 1039805170 /nfs/dbraw/zinc/80/51/70/1039805170.db2.gz YKIKAAOHNJIBFT-ZDUSSCGKSA-N 0 1 311.433 3.580 20 30 DHEDMN COc1c(C)cccc1CNCc1cccc(OCCCC#N)c1 ZINC000594523172 1039828061 /nfs/dbraw/zinc/82/80/61/1039828061.db2.gz WKFNQFMLIZJBBZ-UHFFFAOYSA-N 0 1 324.424 3.976 20 30 DHEDMN COc1ccc(C[C@H](C)CN2Cc3ccc(C#N)cc3C2)cc1F ZINC000594615036 1039871639 /nfs/dbraw/zinc/87/16/39/1039871639.db2.gz RCSNQLFBKODKJX-AWEZNQCLSA-N 0 1 324.399 3.900 20 30 DHEDMN CCc1csc(CC2CCN(Cc3ccc(C#N)o3)CC2)n1 ZINC000594612870 1039873985 /nfs/dbraw/zinc/87/39/85/1039873985.db2.gz NVSQEIZRPQSSJD-UHFFFAOYSA-N 0 1 315.442 3.625 20 30 DHEDMN 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COc1cncc(CN2CC=C(c3ccc(C#N)cc3)CC2)c1C ZINC000602494938 1041060421 /nfs/dbraw/zinc/06/04/21/1041060421.db2.gz RNQCMPLABCOHND-UHFFFAOYSA-N 0 1 319.408 3.560 20 30 DHEDMN C[C@H](CCC#N)CN[C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000602509674 1041077937 /nfs/dbraw/zinc/07/79/37/1041077937.db2.gz HMGSYCTXTKQYKH-CJNGLKHVSA-N 0 1 316.836 3.692 20 30 DHEDMN C[C@H](CC1(C#N)CCOCC1)NCc1c(F)cccc1Cl ZINC000602524623 1041087547 /nfs/dbraw/zinc/08/75/47/1041087547.db2.gz NLQRYRSHVVKHHH-GFCCVEGCSA-N 0 1 310.800 3.668 20 30 DHEDMN N#Cc1cccc(CNCc2ccc(OC3CCCCC3)cc2)n1 ZINC000602532477 1041090458 /nfs/dbraw/zinc/09/04/58/1041090458.db2.gz XTRDCPIBHWNONH-UHFFFAOYSA-N 0 1 321.424 3.955 20 30 DHEDMN N#Cc1cccc(CNCc2ccc(OC3CCCC3)cc2)n1 ZINC000602593064 1041108619 /nfs/dbraw/zinc/10/86/19/1041108619.db2.gz HHOVUULGEPSPTR-UHFFFAOYSA-N 0 1 307.397 3.564 20 30 DHEDMN CC(=NNc1cccc(C(F)(F)F)n1)c1cnc(C)s1 ZINC000761267958 1041116537 /nfs/dbraw/zinc/11/65/37/1041116537.db2.gz XOSAANYZFHQDSW-UHFFFAOYSA-N 0 1 300.309 3.701 20 30 DHEDMN COc1cccc([C@@H]2C[C@@H](C)CN2Cc2cccc(C#N)n2)c1 ZINC000602606817 1041123819 /nfs/dbraw/zinc/12/38/19/1041123819.db2.gz GVHDTIHUIZQKQE-KUHUBIRLSA-N 0 1 307.397 3.545 20 30 DHEDMN C[C@H](CCC#N)CN(C)Cc1ccc(F)cc1Br ZINC000602633559 1041137019 /nfs/dbraw/zinc/13/70/19/1041137019.db2.gz YQSVDNBYXZGJIQ-LLVKDONJSA-N 0 1 313.214 3.960 20 30 DHEDMN C[C@@H](CC#N)NCCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000602870372 1041279373 /nfs/dbraw/zinc/27/93/73/1041279373.db2.gz SRYNKEZKPJCEAO-HNNXBMFYSA-N 0 1 323.396 3.699 20 30 DHEDMN N#Cc1ccc(C2CCN(Cc3ccc(Cl)cc3)CC2)nc1 ZINC000602908052 1041294501 /nfs/dbraw/zinc/29/45/01/1041294501.db2.gz YHIOZVPMXWIRAU-UHFFFAOYSA-N 0 1 311.816 3.986 20 30 DHEDMN CC1(C)CN(CCCC2(C#N)CCOCC2)[C@@H]1c1ccco1 ZINC000602924223 1041318509 /nfs/dbraw/zinc/31/85/09/1041318509.db2.gz BRLIVHWHZCMTPN-MRXNPFEDSA-N 0 1 302.418 3.763 20 30 DHEDMN CC(C)(C#N)C[C@H](O)C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000598598017 1041356645 /nfs/dbraw/zinc/35/66/45/1041356645.db2.gz MERFHBDCMRFTLI-KRWDZBQOSA-N 0 1 318.848 3.730 20 30 DHEDMN N#Cc1ccc(F)c(CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)c1 ZINC000090117881 185283082 /nfs/dbraw/zinc/28/30/82/185283082.db2.gz JABQIVDFHULWPN-JXFKEZNVSA-N 0 1 324.399 3.955 20 30 DHEDMN C=C(Br)CN[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192044784 335022806 /nfs/dbraw/zinc/02/28/06/335022806.db2.gz NOXOGLHHEFYGJU-OLZOCXBDSA-N 0 1 316.626 3.668 20 30 DHEDMN C=CCc1cc(CN(C)[C@H](C)c2cccnc2)cc(OC)c1O ZINC000183731599 335041325 /nfs/dbraw/zinc/04/13/25/335041325.db2.gz AVKWTPJHXMODRF-CQSZACIVSA-N 0 1 312.413 3.717 20 30 DHEDMN C=C(C)[C@@H](NCCO[C@H]1CCCCO1)c1ccc(F)c(F)c1 ZINC000193123950 335043158 /nfs/dbraw/zinc/04/31/58/335043158.db2.gz PIIOWPAPUXIWAT-DLBZAZTESA-N 0 1 311.372 3.715 20 30 DHEDMN CC(C)(C(=O)NCC1(Sc2ccccc2)CC1)c1cnc[nH]1 ZINC000328594517 257265247 /nfs/dbraw/zinc/26/52/47/257265247.db2.gz PXJNGJNJGPZIFD-UHFFFAOYSA-N 0 1 315.442 3.969 20 30 DHEDMN C[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000272321430 130021091 /nfs/dbraw/zinc/02/10/91/130021091.db2.gz WCQCQKGAONYYGL-LFVRLGFBSA-N 0 1 324.449 3.636 20 30 DHEDMN CC#CCCCC(=O)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000184791040 335087218 /nfs/dbraw/zinc/08/72/18/335087218.db2.gz KFSPYBGRTPGVJP-MRXNPFEDSA-N 0 1 323.440 3.771 20 30 DHEDMN CO[C@H](C)[C@H](C)N[C@@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000370662105 331566387 /nfs/dbraw/zinc/56/63/87/331566387.db2.gz IURILMSVXBDLIQ-RWMBFGLXSA-N 0 1 315.442 3.756 20 30 DHEDMN COc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)c(F)c1 ZINC000557540097 331798755 /nfs/dbraw/zinc/79/87/55/331798755.db2.gz YPFUXZNLWUXDMA-LJQANCHMSA-N 0 1 310.372 3.873 20 30 DHEDMN C=CCN(Cc1ccccc1)Cc1ccccc1N1CCOCC1 ZINC000092261617 332122117 /nfs/dbraw/zinc/12/21/17/332122117.db2.gz REQKHNDPVXYLRY-UHFFFAOYSA-N 0 1 322.452 3.711 20 30 DHEDMN CC[C@@H](C)[C@@H]1CCCCN1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000448015842 332159108 /nfs/dbraw/zinc/15/91/08/332159108.db2.gz RPDVHAFBSTUXCI-WBMJQRKESA-N 0 1 317.433 3.607 20 30 DHEDMN C=C(C)CN(C)CC(=O)N(C)C(c1ccccc1)c1ccccc1 ZINC000181247651 332188181 /nfs/dbraw/zinc/18/81/81/332188181.db2.gz FFQPXWWACQBSMK-UHFFFAOYSA-N 0 1 322.452 3.742 20 30 DHEDMN C=CCC(F)(F)C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000292736675 335093889 /nfs/dbraw/zinc/09/38/89/335093889.db2.gz AAACQASNELTJFG-ZDUSSCGKSA-N 0 1 321.327 3.564 20 30 DHEDMN N#CCC[C@H](C#N)CNCC1(c2cccc(F)c2F)CCCC1 ZINC000562360478 332584181 /nfs/dbraw/zinc/58/41/81/332584181.db2.gz PTJCUOAYUGTNLX-CQSZACIVSA-N 0 1 317.383 3.810 20 30 DHEDMN Cc1ccc(OC(F)F)c(CNCc2cccc(C#N)c2)c1 ZINC000151963874 333025853 /nfs/dbraw/zinc/02/58/53/333025853.db2.gz ROBYMYKOFVITRZ-UHFFFAOYSA-N 0 1 302.324 3.758 20 30 DHEDMN C[C@@H](c1nc2ccccc2s1)N(C)CCCSCC#N ZINC000174112240 333082272 /nfs/dbraw/zinc/08/22/72/333082272.db2.gz DONSTPIFPZSDPQ-LBPRGKRZSA-N 0 1 305.472 3.936 20 30 DHEDMN CSc1ccccc1NC(=O)CN(C)CC(C)(C)CCC#N ZINC000179627083 333153603 /nfs/dbraw/zinc/15/36/03/333153603.db2.gz QSHMIKYWOMJZEE-UHFFFAOYSA-N 0 1 319.474 3.609 20 30 DHEDMN CCN(CC(=O)Nc1ccccc1SC[C@H](C)C#N)C(C)C ZINC000108362430 333175806 /nfs/dbraw/zinc/17/58/06/333175806.db2.gz GIWQOIJHDYSGBN-CQSZACIVSA-N 0 1 319.474 3.607 20 30 DHEDMN CCc1ccc([C@H]2CN(CC(C)(C)CCC#N)CCO2)cc1 ZINC000191669144 333281509 /nfs/dbraw/zinc/28/15/09/333281509.db2.gz NASJNZXFKXWSHV-GOSISDBHSA-N 0 1 300.446 3.952 20 30 DHEDMN C=CC1CCN([C@H](C)c2nc3sc(C)c(C)c3c(N)n2)CC1 ZINC000111256522 333328336 /nfs/dbraw/zinc/32/83/36/333328336.db2.gz NSONDTOJACSOFM-LLVKDONJSA-N 0 1 316.474 3.849 20 30 DHEDMN CC#CCCCC(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000185490929 335136872 /nfs/dbraw/zinc/13/68/72/335136872.db2.gz NIOHXGISZOAIMJ-MRXNPFEDSA-N 0 1 311.385 3.547 20 30 DHEDMN C=C(C)C(C)(C)C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000571396377 333782077 /nfs/dbraw/zinc/78/20/77/333782077.db2.gz CSVBIDHMSNAWMN-HNNXBMFYSA-N 0 1 308.853 3.661 20 30 DHEDMN N#Cc1ccc(CN[C@H](c2ccccc2)C2(CO)CCCCC2)o1 ZINC000414534954 334011049 /nfs/dbraw/zinc/01/10/49/334011049.db2.gz VSJBUNKQEIFFCL-LJQANCHMSA-N 0 1 324.424 3.925 20 30 DHEDMN CC[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccccc1SCC#N ZINC000271439993 334023245 /nfs/dbraw/zinc/02/32/45/334023245.db2.gz BRWJIISAMCOENM-UONOGXRCSA-N 0 1 317.458 3.504 20 30 DHEDMN CCCCOc1ccc(CN2CCC(C)(C#N)CC2)cc1OC ZINC000272537945 334036906 /nfs/dbraw/zinc/03/69/06/334036906.db2.gz OKXXENSPRRXSGY-UHFFFAOYSA-N 0 1 316.445 4.000 20 30 DHEDMN CCOc1ccc(CN2CCC(C)(C#N)CC2)cc1OCC ZINC000272620807 334038121 /nfs/dbraw/zinc/03/81/21/334038121.db2.gz URWDBTWBRZURGJ-UHFFFAOYSA-N 0 1 302.418 3.610 20 30 DHEDMN N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000414638452 334049794 /nfs/dbraw/zinc/04/97/94/334049794.db2.gz OAKUDDCOJNKPPH-OALUTQOASA-N 0 1 320.392 3.657 20 30 DHEDMN CC[C@H](CC#N)N[C@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000273888773 334052695 /nfs/dbraw/zinc/05/26/95/334052695.db2.gz SQVBQEXWCBLKKI-CHWSQXEVSA-N 0 1 307.825 3.647 20 30 DHEDMN CC[C@@H](CC#N)N[C@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000273888776 334052842 /nfs/dbraw/zinc/05/28/42/334052842.db2.gz SQVBQEXWCBLKKI-OLZOCXBDSA-N 0 1 307.825 3.647 20 30 DHEDMN N#C[C@H]1CC[C@@H](Sc2nc(-c3cc(F)cc(F)c3)n[nH]2)C1 ZINC000278533777 334097670 /nfs/dbraw/zinc/09/76/70/334097670.db2.gz IUZHIWURFWIIFX-QPUJVOFHSA-N 0 1 306.341 3.534 20 30 DHEDMN CC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1nc(C(F)(F)F)cs1 ZINC000278672215 334099365 /nfs/dbraw/zinc/09/93/65/334099365.db2.gz RBEWYCOSVFUJHE-BBBLOLIVSA-N 0 1 303.353 3.895 20 30 DHEDMN CC[C@H](N[C@H]1CC[C@@H](C#N)C1)c1nc(C(F)(F)F)cs1 ZINC000278672227 334099391 /nfs/dbraw/zinc/09/93/91/334099391.db2.gz RBEWYCOSVFUJHE-UTLUCORTSA-N 0 1 303.353 3.895 20 30 DHEDMN N#CC1(CCCN2CCc3[nH]c4ccccc4c3C2)CCOCC1 ZINC000281151105 334123484 /nfs/dbraw/zinc/12/34/84/334123484.db2.gz BHGBFGDQCJHYAW-UHFFFAOYSA-N 0 1 323.440 3.627 20 30 DHEDMN CCC(CC)CN(CCC#N)C(=O)c1cccc2[nH]c(C)nc21 ZINC000284206148 334142764 /nfs/dbraw/zinc/14/27/64/334142764.db2.gz ZXFQSTNOPNRSNS-UHFFFAOYSA-N 0 1 312.417 3.663 20 30 DHEDMN N#CCCCNCc1cc(C(F)(F)F)ccc1Br ZINC000289509355 334165867 /nfs/dbraw/zinc/16/58/67/334165867.db2.gz MVNNMZBAVKPCIB-UHFFFAOYSA-N 0 1 321.140 3.861 20 30 DHEDMN C[C@H](c1ccc(Cl)cc1)N1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000292696033 334190957 /nfs/dbraw/zinc/19/09/57/334190957.db2.gz CVYAUVYBZOQMKY-IIDMSEBBSA-N 0 1 317.864 3.711 20 30 DHEDMN Cc1nn(-c2ccccc2C)c(C)c1CN(C)[C@H]1CC[C@@H](C#N)C1 ZINC000293505933 334198536 /nfs/dbraw/zinc/19/85/36/334198536.db2.gz NYOJVDHFSKELRQ-MSOLQXFVSA-N 0 1 322.456 3.922 20 30 DHEDMN N#CCCN(Cc1ccco1)Cc1cc(Cl)c(F)cc1O ZINC000294773229 334213080 /nfs/dbraw/zinc/21/30/80/334213080.db2.gz BBEZTRLDKXPNTH-UHFFFAOYSA-N 0 1 308.740 3.694 20 30 DHEDMN Cc1nn(-c2ccccc2C)c(C)c1CN(C)[C@@H](C)CCC#N ZINC000298046373 334245804 /nfs/dbraw/zinc/24/58/04/334245804.db2.gz HIRZKTJIFGBTCW-HNNXBMFYSA-N 0 1 310.445 3.922 20 30 DHEDMN CC[C@@H](C)[C@H](C)[N@@H+](Cc1cccc(C(=O)OC)c1C#N)C1CC1 ZINC000535206710 334380060 /nfs/dbraw/zinc/38/00/60/334380060.db2.gz OVDQTMYSBKMTDJ-KGLIPLIRSA-N 0 1 314.429 3.744 20 30 DHEDMN CC[C@@H](C)[C@@H](C)[N@@H+](Cc1cccc(C(=O)OC)c1C#N)C1CC1 ZINC000535206712 334380066 /nfs/dbraw/zinc/38/00/66/334380066.db2.gz OVDQTMYSBKMTDJ-ZIAGYGMSSA-N 0 1 314.429 3.744 20 30 DHEDMN C=CCC(C)(C)c1noc(-c2[nH]cnc2C(=O)c2ccccc2)n1 ZINC000340792785 334384500 /nfs/dbraw/zinc/38/45/00/334384500.db2.gz DSSCKVIBRQOKHZ-UHFFFAOYSA-N 0 1 322.368 3.544 20 30 DHEDMN C=CCC(C)(C)c1noc(-c2nc[nH]c2C(=O)c2ccccc2)n1 ZINC000340792785 334384501 /nfs/dbraw/zinc/38/45/01/334384501.db2.gz DSSCKVIBRQOKHZ-UHFFFAOYSA-N 0 1 322.368 3.544 20 30 DHEDMN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](CC)c1ccc(F)cc1F ZINC000341848191 334487391 /nfs/dbraw/zinc/48/73/91/334487391.db2.gz SAXQCZLOXYAZJK-CXAGYDPISA-N 0 1 322.399 3.595 20 30 DHEDMN COCC1(C#N)CCN(CCSc2ccc(Cl)cc2)CC1 ZINC000341986238 334503098 /nfs/dbraw/zinc/50/30/98/334503098.db2.gz YKLGGGTUOUCUMU-UHFFFAOYSA-N 0 1 324.877 3.684 20 30 DHEDMN COC[C@H](NCc1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000342424925 334539832 /nfs/dbraw/zinc/53/98/32/334539832.db2.gz UDSLTINWSVZLGH-KRWDZBQOSA-N 0 1 300.789 3.689 20 30 DHEDMN COc1ccc(CNCc2ccc(C#N)c(OC)c2)c(Cl)c1 ZINC000353224359 334720413 /nfs/dbraw/zinc/72/04/13/334720413.db2.gz UYFGBLNIKMDPKP-UHFFFAOYSA-N 0 1 316.788 3.519 20 30 DHEDMN COC(=O)CC[C@@H](NCc1ccc(C#N)c(C)c1)c1ccccc1 ZINC000443973580 338464876 /nfs/dbraw/zinc/46/48/76/338464876.db2.gz ZBMKOOXCVBEVGK-LJQANCHMSA-N 0 1 322.408 3.651 20 30 DHEDMN N#CCc1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000343714178 335186144 /nfs/dbraw/zinc/18/61/44/335186144.db2.gz HRDUNHORMSVMMO-UHFFFAOYSA-N 0 1 321.380 3.825 20 30 DHEDMN CC(C)(C)Nc1ccccc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000343771349 335192057 /nfs/dbraw/zinc/19/20/57/335192057.db2.gz YJJKDYIVAJPURV-UHFFFAOYSA-N 0 1 309.369 3.727 20 30 DHEDMN COc1ccc2c(c1)[C@H](N[C@H](C)c1cccc(C#N)c1)CCO2 ZINC000344123258 335219521 /nfs/dbraw/zinc/21/95/21/335219521.db2.gz YSELHZZCBNHLBY-FZKQIMNGSA-N 0 1 308.381 3.741 20 30 DHEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(F)c(C)c3)[nH]c21 ZINC000345393228 335322895 /nfs/dbraw/zinc/32/28/95/335322895.db2.gz DRNYZBSLDPTCOY-CYBMUJFWSA-N 0 1 307.328 3.809 20 30 DHEDMN C=C(C)C[C@H](C)C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C ZINC000345575034 335335661 /nfs/dbraw/zinc/33/56/61/335335661.db2.gz PIPHUHHHXIRMEA-BBRMVZONSA-N 0 1 302.418 3.613 20 30 DHEDMN COc1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c(F)c1 ZINC000346131178 335379226 /nfs/dbraw/zinc/37/92/26/335379226.db2.gz MUZZWBGQGMRCFF-NSHDSACASA-N 0 1 302.324 3.696 20 30 DHEDMN COc1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)cc1F ZINC000346155871 335382735 /nfs/dbraw/zinc/38/27/35/335382735.db2.gz GTNSDTSDDTYRNX-NSHDSACASA-N 0 1 302.324 3.696 20 30 DHEDMN C=CCOc1ccc(C[N@H+](C)C[C@H](C)c2nccs2)cc1 ZINC000346277265 335391483 /nfs/dbraw/zinc/39/14/83/335391483.db2.gz RVYGTSONZIYVDW-AWEZNQCLSA-N 0 1 302.443 3.943 20 30 DHEDMN Cn1cc(CN2CCC(C)(C#N)CC2)c(C2CCCCC2)n1 ZINC000346306181 335398421 /nfs/dbraw/zinc/39/84/21/335398421.db2.gz XGVASPLDBZSHCE-UHFFFAOYSA-N 0 1 300.450 3.593 20 30 DHEDMN Cc1cnn([C@@H]2CCN(C([O-])=[NH+][C@H](C)CC3CCCCC3)C2)c1 ZINC000329601060 336002841 /nfs/dbraw/zinc/00/28/41/336002841.db2.gz KLEWYCQZIMNAAK-NVXWUHKLSA-N 0 1 318.465 3.711 20 30 DHEDMN Cc1cnn([C@H]2CCN(C([O-])=[NH+][C@H](C)CC3CCCCC3)C2)c1 ZINC000329601061 336002848 /nfs/dbraw/zinc/00/28/48/336002848.db2.gz KLEWYCQZIMNAAK-WBVHZDCISA-N 0 1 318.465 3.711 20 30 DHEDMN CC(C)(C)[C@@H]1CCC[C@@H]([NH+]=C([O-])N2CCn3cncc3C2)CC1 ZINC000329622199 336014696 /nfs/dbraw/zinc/01/46/96/336014696.db2.gz HDYMBKLOEWIVNO-HUUCEWRRSA-N 0 1 318.465 3.608 20 30 DHEDMN COc1ccc([C@@H](C)NCc2ccc(C#N)c(F)c2)cc1F ZINC000192148586 336019956 /nfs/dbraw/zinc/01/99/56/336019956.db2.gz UMRYTJHSFNXMKG-LLVKDONJSA-N 0 1 302.324 3.696 20 30 DHEDMN CC(C)Cn1ccnc1NCc1cccc(OCCCC#N)c1 ZINC000351551410 336043075 /nfs/dbraw/zinc/04/30/75/336043075.db2.gz WFJHYHREMNFLQV-UHFFFAOYSA-N 0 1 312.417 3.834 20 30 DHEDMN C[C@](O)(CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CCCCC1 ZINC000330120058 336115146 /nfs/dbraw/zinc/11/51/46/336115146.db2.gz AYDQHMYZCFTXIX-HKUYNNGSSA-N 0 1 322.493 3.681 20 30 DHEDMN CC[C@H](OC1CCCCC1)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000330139575 336117393 /nfs/dbraw/zinc/11/73/93/336117393.db2.gz WJONLJLBIYSASE-CABCVRRESA-N 0 1 305.422 3.872 20 30 DHEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2csc(C3CC3)n2)n[nH]1 ZINC000330202036 336123837 /nfs/dbraw/zinc/12/38/37/336123837.db2.gz YTJPGTJUVMDQFO-IUCAKERBSA-N 0 1 319.434 3.718 20 30 DHEDMN C[C@H](CC1CCCCC1)NC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000330254058 336130195 /nfs/dbraw/zinc/13/01/95/336130195.db2.gz JGPZNBKRNGQJTO-DOMZBBRYSA-N 0 1 304.438 3.650 20 30 DHEDMN C=CC[C@@H]1N(C(=O)N[C@@H]2CCCc3cn[nH]c32)CCCC1(C)C ZINC000333215578 336199929 /nfs/dbraw/zinc/19/99/29/336199929.db2.gz QODMQUWHYAYNDB-CABCVRRESA-N 0 1 316.449 3.563 20 30 DHEDMN Cc1cccnc1OC1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000352365523 336214465 /nfs/dbraw/zinc/21/44/65/336214465.db2.gz SSWCAMHFTGSING-UHFFFAOYSA-N 0 1 321.424 3.614 20 30 DHEDMN C[C@@H](CC#N)N(C)C(=O)c1cccc2[nH]c(-c3cccs3)nc21 ZINC000352415198 336217131 /nfs/dbraw/zinc/21/71/31/336217131.db2.gz MYTAOEWTLLKHLX-NSHDSACASA-N 0 1 324.409 3.666 20 30 DHEDMN CCN(CCC#N)C(=O)c1cccc2[nH]c(-c3cccs3)nc21 ZINC000352446667 336219444 /nfs/dbraw/zinc/21/94/44/336219444.db2.gz GFYXVSHQKCEJOL-UHFFFAOYSA-N 0 1 324.409 3.667 20 30 DHEDMN C=C(C)COCCNCc1cc(Cl)cc(Cl)c1OC ZINC000532394077 336245176 /nfs/dbraw/zinc/24/51/76/336245176.db2.gz YSSYZFGFZFHXMB-UHFFFAOYSA-N 0 1 304.217 3.684 20 30 DHEDMN N#Cc1cccc(CNCc2cc(O)cc(C(F)(F)F)c2)c1 ZINC000352831866 336269800 /nfs/dbraw/zinc/26/98/00/336269800.db2.gz CZKWEVJXXNHPKX-UHFFFAOYSA-N 0 1 306.287 3.572 20 30 DHEDMN Cc1ncc(CNCc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000352837043 336272835 /nfs/dbraw/zinc/27/28/35/336272835.db2.gz YJJBQJUUERAOHH-UHFFFAOYSA-N 0 1 311.332 3.632 20 30 DHEDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC000182610954 336274446 /nfs/dbraw/zinc/27/44/46/336274446.db2.gz JYIKPCBXSHTAQJ-CQSZACIVSA-N 0 1 309.369 3.968 20 30 DHEDMN N#Cc1ccc(NC[C@@H](c2ccco2)N2CCCCC2)c(F)c1 ZINC000301142436 336291887 /nfs/dbraw/zinc/29/18/87/336291887.db2.gz JDHTZLLJXCYFQI-KRWDZBQOSA-N 0 1 313.376 3.929 20 30 DHEDMN C=C(C)CN(CCc1c(C)noc1C)Cc1cnn(C(C)C)c1 ZINC000352917317 336376886 /nfs/dbraw/zinc/37/68/86/336376886.db2.gz VZMTWBYHMQVQQI-UHFFFAOYSA-N 0 1 316.449 3.690 20 30 DHEDMN COc1cc(CNCc2cnc(C3CCC3)s2)ccc1C#N ZINC000353194574 336406111 /nfs/dbraw/zinc/40/61/11/336406111.db2.gz PLDSYQACURRYSM-UHFFFAOYSA-N 0 1 313.426 3.581 20 30 DHEDMN COc1ccc([C@@H](C)NCc2ccc(C#N)c(OC)c2)cc1F ZINC000353608669 336428480 /nfs/dbraw/zinc/42/84/80/336428480.db2.gz JBLHYMPYECRPKS-GFCCVEGCSA-N 0 1 314.360 3.565 20 30 DHEDMN N#C[C@@H]1CC[C@@H](NCc2nc(-c3ccccc3F)cs2)C1 ZINC000356406496 336548718 /nfs/dbraw/zinc/54/87/18/336548718.db2.gz MQCACSPRNJOSLM-VXGBXAGGSA-N 0 1 301.390 3.731 20 30 DHEDMN COc1cc(CNc2cc(C)nc3ccc(F)cc32)ccc1C#N ZINC000357613837 336592399 /nfs/dbraw/zinc/59/23/99/336592399.db2.gz YJVJYZQIIAQHHO-UHFFFAOYSA-N 0 1 321.355 3.597 20 30 DHEDMN N#Cc1cccc(CN2CCC(Oc3ccc(F)cc3)CC2)c1 ZINC000115557139 336825029 /nfs/dbraw/zinc/82/50/29/336825029.db2.gz UWAXEDNCLNPGNY-UHFFFAOYSA-N 0 1 310.372 3.741 20 30 DHEDMN N#Cc1cc(F)ccc1CN[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000371554458 336907816 /nfs/dbraw/zinc/90/78/16/336907816.db2.gz QCWQXRIRDJDWPP-LPHOPBHVSA-N 0 1 310.372 3.565 20 30 DHEDMN N#Cc1ccc(F)c(CN[C@H](c2ccccc2)[C@@H]2CCOC2)c1 ZINC000373203966 336952515 /nfs/dbraw/zinc/95/25/15/336952515.db2.gz PRSBWVKQFCBZIA-VQIMIIECSA-N 0 1 310.372 3.565 20 30 DHEDMN C[C@@H]1N(Cc2ccc(F)c(C#N)c2Cl)CCC12CCOCC2 ZINC000376121234 337027675 /nfs/dbraw/zinc/02/76/75/337027675.db2.gz ZPUTUMXCGXHMCL-LBPRGKRZSA-N 0 1 322.811 3.742 20 30 DHEDMN C[C@H]1CC[C@H](C)N1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000123076885 337035201 /nfs/dbraw/zinc/03/52/01/337035201.db2.gz OBBAGJZGRQUUQC-GJZGRUSLSA-N 0 1 309.413 3.610 20 30 DHEDMN N#Cc1ccc2ncc(CN[C@H]3CCSc4ccccc43)n2c1 ZINC000123172224 337038692 /nfs/dbraw/zinc/03/86/92/337038692.db2.gz MOKCKXVQBUWLQT-INIZCTEOSA-N 0 1 320.421 3.533 20 30 DHEDMN COc1cc(C#N)ccc1CN[C@H](c1ccccn1)C1CCCC1 ZINC000376830405 337042360 /nfs/dbraw/zinc/04/23/60/337042360.db2.gz YPCSJYZTPWHETR-FQEVSTJZSA-N 0 1 321.424 3.983 20 30 DHEDMN C=CCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000376878895 337043125 /nfs/dbraw/zinc/04/31/25/337043125.db2.gz YLUFDXJGQMDMHC-STQMWFEESA-N 0 1 317.820 3.792 20 30 DHEDMN CC(=Cc1cc2ccccc2s1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193611814 337078497 /nfs/dbraw/zinc/07/84/97/337078497.db2.gz NYHKRALRCSAPBH-YFHOEESVSA-N 0 1 307.378 3.725 20 30 DHEDMN C=CCCCC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000175477438 337145781 /nfs/dbraw/zinc/14/57/81/337145781.db2.gz HKJOYFDKCVQGEJ-UHFFFAOYSA-N 0 1 304.459 3.530 20 30 DHEDMN Cc1sc(NC(=O)CN2CCCC[C@H]2C(C)C)c(C#N)c1C ZINC000177193992 337154726 /nfs/dbraw/zinc/15/47/26/337154726.db2.gz OZJZBFLEFPNRLG-HNNXBMFYSA-N 0 1 319.474 3.686 20 30 DHEDMN C=C(C)C[C@@H](C)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000185219657 337203426 /nfs/dbraw/zinc/20/34/26/337203426.db2.gz BPPICFAMSMLTHA-OAHLLOKOSA-N 0 1 318.436 3.509 20 30 DHEDMN C=CCC1(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CCC1 ZINC000188555358 337273966 /nfs/dbraw/zinc/27/39/66/337273966.db2.gz CSJFDBXLEAKARK-GOSISDBHSA-N 0 1 312.457 3.514 20 30 DHEDMN Cc1cccc2nc(C3CCN(Cc4ccc(C#N)o4)CC3)oc21 ZINC000188885028 337275898 /nfs/dbraw/zinc/27/58/98/337275898.db2.gz GCERPVJTQOVOOA-UHFFFAOYSA-N 0 1 321.380 3.981 20 30 DHEDMN CCOc1cccc2cc([C@@H](C)NCc3cc(C#N)n(C)c3)oc21 ZINC000190700927 337290120 /nfs/dbraw/zinc/29/01/20/337290120.db2.gz RDNGWLBCKPXXAT-CYBMUJFWSA-N 0 1 323.396 3.892 20 30 DHEDMN N#CC(C(=O)c1coc2ccccc12)c1cnc2ccccc2n1 ZINC000190976957 337291868 /nfs/dbraw/zinc/29/18/68/337291868.db2.gz YKMHYDXNBVLITN-CYBMUJFWSA-N 0 1 313.316 3.866 20 30 DHEDMN Cn1cc(CN[C@@H]2CCCOc3c(Cl)cccc32)cc1C#N ZINC000191561761 337298942 /nfs/dbraw/zinc/29/89/42/337298942.db2.gz WKHHAUZUQWXFTJ-MRXNPFEDSA-N 0 1 315.804 3.554 20 30 DHEDMN Cc1cc(-n2ccnc2)ccc1CN(CCC#N)CC(C)(C)C ZINC000192035896 337302036 /nfs/dbraw/zinc/30/20/36/337302036.db2.gz WXXOMRPHEWXBJH-UHFFFAOYSA-N 0 1 310.445 3.943 20 30 DHEDMN COc1cccc(CC(=O)Nc2nc(-c3ccc(C)cc3)n[nH]2)c1 ZINC000028855166 337388685 /nfs/dbraw/zinc/38/86/85/337388685.db2.gz KMPWDVZQGZLUKI-UHFFFAOYSA-N 0 1 322.368 3.619 20 30 DHEDMN CC[C@@H](c1ccccc1)N(CC)CC(=O)Nc1ccc(C#N)cc1 ZINC000532935113 337394043 /nfs/dbraw/zinc/39/40/43/337394043.db2.gz PUUZGGTZFBHAFS-IBGZPJMESA-N 0 1 321.424 3.970 20 30 DHEDMN CC(C)(C)Oc1ccc(CNCc2ccc(C#N)c(F)c2)cn1 ZINC000421351780 337528018 /nfs/dbraw/zinc/52/80/18/337528018.db2.gz ZYVQCJQKZQKRNE-UHFFFAOYSA-N 0 1 313.376 3.559 20 30 DHEDMN C=C[C@@](C)(CC)C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000525961800 337574618 /nfs/dbraw/zinc/57/46/18/337574618.db2.gz ZEWVPIPQYSXQLY-WBVHZDCISA-N 0 1 308.853 3.661 20 30 DHEDMN C=C(Cl)COc1ccc([C@H](C)NCc2cnn(CC)c2)cc1 ZINC000271492925 337644182 /nfs/dbraw/zinc/64/41/82/337644182.db2.gz MAEIQBQOOAPVKE-AWEZNQCLSA-N 0 1 319.836 3.885 20 30 DHEDMN COc1cc(CN[C@@H](c2ccccn2)C2CCC2)ccc1C#N ZINC000527771740 337762708 /nfs/dbraw/zinc/76/27/08/337762708.db2.gz MHWQNTCIBYWKCT-LJQANCHMSA-N 0 1 307.397 3.593 20 30 DHEDMN COc1ccc(C(C)(C)NCc2ccc(C#N)c(F)c2)cc1F ZINC000527782619 337763745 /nfs/dbraw/zinc/76/37/45/337763745.db2.gz ZUSNOBZOUZBWFY-UHFFFAOYSA-N 0 1 316.351 3.870 20 30 DHEDMN N#C[C@H]1CC[C@@H](NCc2ccc(Br)cc2Cl)C1 ZINC000424191375 337804922 /nfs/dbraw/zinc/80/49/22/337804922.db2.gz HGYCASIGTGJHCJ-JOYOIKCWSA-N 0 1 313.626 3.884 20 30 DHEDMN C=CCn1cc(CN[C@@H](c2ccccc2)C2CCCCC2)nn1 ZINC000424290414 337816125 /nfs/dbraw/zinc/81/61/25/337816125.db2.gz BSDYZQUSRSGTFQ-IBGZPJMESA-N 0 1 310.445 3.875 20 30 DHEDMN C=C(C)C(C)(C)C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000424541332 337855922 /nfs/dbraw/zinc/85/59/22/337855922.db2.gz JUWYEFUACLBTPJ-OAHLLOKOSA-N 0 1 304.434 3.525 20 30 DHEDMN CC(C)(NCc1ccc(F)c(C#N)c1)c1ccccc1[N+](=O)[O-] ZINC000429250745 338074828 /nfs/dbraw/zinc/07/48/28/338074828.db2.gz BGSTZJWWIMHISZ-UHFFFAOYSA-N 0 1 313.332 3.630 20 30 DHEDMN CCc1cnccc1C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430607354 338109745 /nfs/dbraw/zinc/10/97/45/338109745.db2.gz BYOHYBKHUFAGKY-ZDUSSCGKSA-N 0 1 313.426 3.888 20 30 DHEDMN Cn1cc(Cl)cc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430628971 338110117 /nfs/dbraw/zinc/11/01/17/338110117.db2.gz PKFFAVBFIMTNND-SNVBAGLBSA-N 0 1 321.833 3.923 20 30 DHEDMN Cn1cc(Cl)cc1C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430628971 338110118 /nfs/dbraw/zinc/11/01/18/338110118.db2.gz PKFFAVBFIMTNND-SNVBAGLBSA-N 0 1 321.833 3.923 20 30 DHEDMN Cc1cnc(C2CCN(Cc3cc(C#N)cs3)CC2)s1 ZINC000432950770 338174770 /nfs/dbraw/zinc/17/47/70/338174770.db2.gz QKGCAOLEMUXOKG-UHFFFAOYSA-N 0 1 303.456 3.764 20 30 DHEDMN CN(CCCOc1cccc(C(F)(F)F)c1)CC(C)(C)C#N ZINC000433293883 338189786 /nfs/dbraw/zinc/18/97/86/338189786.db2.gz IMJOVBSAKTZRMC-UHFFFAOYSA-N 0 1 314.351 3.956 20 30 DHEDMN C=CCC[C@@H](NC(=O)CN1CCC(C)CC1)c1ccccc1 ZINC000435722992 338246286 /nfs/dbraw/zinc/24/62/86/338246286.db2.gz PPRSGDPHDIQRSU-GOSISDBHSA-N 0 1 300.446 3.542 20 30 DHEDMN N#CCC1(CNC(=O)c2cc(Cl)c3ccccc3c2O)CC1 ZINC000437003310 338297331 /nfs/dbraw/zinc/29/73/31/338297331.db2.gz SNHWXUUCVBAUMW-UHFFFAOYSA-N 0 1 314.772 3.622 20 30 DHEDMN N#Cc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c(OC(F)F)c1 ZINC000437902535 338324667 /nfs/dbraw/zinc/32/46/67/338324667.db2.gz GXAKAOLYZBUXDQ-DZGCQCFKSA-N 0 1 306.356 3.924 20 30 DHEDMN N#Cc1ccc(CN2CCC[C@@H]3CCC[C@H]32)c(OC(F)F)c1 ZINC000437902535 338324668 /nfs/dbraw/zinc/32/46/68/338324668.db2.gz GXAKAOLYZBUXDQ-DZGCQCFKSA-N 0 1 306.356 3.924 20 30 DHEDMN N#Cc1ccc(CN[C@@H](CCCO)c2ccccc2)c(Cl)c1 ZINC000439430371 338369128 /nfs/dbraw/zinc/36/91/28/338369128.db2.gz LOJHRCJKDWKPPG-SFHVURJKSA-N 0 1 314.816 3.815 20 30 DHEDMN CC[C@H](NCc1ccc(C#N)cc1Cl)c1c(C)nn(C)c1C ZINC000439437266 338369377 /nfs/dbraw/zinc/36/93/77/338369377.db2.gz HMNDXGTVZCCZGL-INIZCTEOSA-N 0 1 316.836 3.803 20 30 DHEDMN N#Cc1ccc(CN2CC[C@]3(C2)OCc2ccccc23)c(Cl)c1 ZINC000439447498 338369878 /nfs/dbraw/zinc/36/98/78/338369878.db2.gz YVHNWSFOQRLJSC-LJQANCHMSA-N 0 1 324.811 3.843 20 30 DHEDMN Cc1ccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)cc1C ZINC000160764478 338564106 /nfs/dbraw/zinc/56/41/06/338564106.db2.gz IVTRTNGXYSKZLU-UHFFFAOYSA-N 0 1 320.801 3.629 20 30 DHEDMN N#Cc1ccc2c(c1)[C@@H](NCc1cccc(C(F)(F)F)n1)CC2 ZINC000453272494 338816966 /nfs/dbraw/zinc/81/69/66/338816966.db2.gz VDRSLWXIPRZMKM-HNNXBMFYSA-N 0 1 317.314 3.749 20 30 DHEDMN C=CCCc1ccccc1NC(=O)N1CCN([C@@H](C)CC)CC1 ZINC000455388481 338892550 /nfs/dbraw/zinc/89/25/50/338892550.db2.gz VEXRWQKGNFDEGQ-INIZCTEOSA-N 0 1 315.461 3.753 20 30 DHEDMN CCS[C@H]1CCCC[C@H]1NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000459423153 339028319 /nfs/dbraw/zinc/02/83/19/339028319.db2.gz GKCYOKFJJDYIEN-ZBFHGGJFSA-N 0 1 319.430 3.620 20 30 DHEDMN N#C[C@@H](c1ccccc1)N1CCN(CCCc2ccccc2)CC1 ZINC000471154125 339338836 /nfs/dbraw/zinc/33/88/36/339338836.db2.gz MCAMRPQGEXELEC-NRFANRHFSA-N 0 1 319.452 3.502 20 30 DHEDMN CN(Cc1cc(C#N)ccc1F)[C@H]1CCCN(c2ccccc2)C1 ZINC000471169999 339339329 /nfs/dbraw/zinc/33/93/29/339339329.db2.gz QRNICVRJUGHYDG-IBGZPJMESA-N 0 1 323.415 3.798 20 30 DHEDMN C=CCN1CC[C@@H](N[C@H](c2ccc(Cl)cc2F)C(C)C)C1=O ZINC000499628748 340041589 /nfs/dbraw/zinc/04/15/89/340041589.db2.gz WNXZIIJQYFCCLW-CVEARBPZSA-N 0 1 324.827 3.553 20 30 DHEDMN C=CCN1CC[C@H](N(C)Cc2cccc(-c3ccccc3)c2)C1=O ZINC000500447950 340059114 /nfs/dbraw/zinc/05/91/14/340059114.db2.gz OKKAXOUFYZWDAB-FQEVSTJZSA-N 0 1 320.436 3.572 20 30 DHEDMN CN(CCOc1ccc(Cl)cc1)Cc1cc(C#N)cs1 ZINC000506765181 340201354 /nfs/dbraw/zinc/20/13/54/340201354.db2.gz ARNMMXFBJIFGIR-UHFFFAOYSA-N 0 1 306.818 3.784 20 30 DHEDMN CC[C@H](c1ccccc1)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000507180231 340211589 /nfs/dbraw/zinc/21/15/89/340211589.db2.gz IGFSOECLWIEDPZ-LJQANCHMSA-N 0 1 323.415 3.971 20 30 DHEDMN CC(C)[C@@H]1CCCN([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000303575746 340335172 /nfs/dbraw/zinc/33/51/72/340335172.db2.gz CNYLECZAYHHAGS-HZPDHXFCSA-N 0 1 313.445 3.643 20 30 DHEDMN C=C(C)COc1cccc(NC(=O)[C@@H](C)N2CCCCCC2)c1 ZINC000303591849 340336365 /nfs/dbraw/zinc/33/63/65/340336365.db2.gz VHKBMBNWLXAQSH-MRXNPFEDSA-N 0 1 316.445 3.845 20 30 DHEDMN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H](O)C1CCCCC1 ZINC000512556849 340366756 /nfs/dbraw/zinc/36/67/56/340366756.db2.gz HOBBAEFMKBARQG-IBGZPJMESA-N 0 1 319.493 3.783 20 30 DHEDMN CC(C)c1ccc(O[C@H](C)CNCc2nc(C#N)cs2)cc1 ZINC000522038538 340563567 /nfs/dbraw/zinc/56/35/67/340563567.db2.gz YBYUVAPDDSQTKK-CYBMUJFWSA-N 0 1 315.442 3.695 20 30 DHEDMN N#Cc1ccc(CN2CCC(Oc3cccc(F)c3)CC2)cc1 ZINC000528573639 340724428 /nfs/dbraw/zinc/72/44/28/340724428.db2.gz KBUPAXOEHZKZST-UHFFFAOYSA-N 0 1 310.372 3.741 20 30 DHEDMN C=CCN(CC=C)C(=O)CN[C@@H](C)c1ccc(SCC)cc1 ZINC000540402719 340929674 /nfs/dbraw/zinc/92/96/74/340929674.db2.gz ANYKUMAMTXQXPG-HNNXBMFYSA-N 0 1 318.486 3.650 20 30 DHEDMN C=C(C)CN(CC(=O)Nc1ccccc1C(F)(F)F)C(C)C ZINC000071012579 341021157 /nfs/dbraw/zinc/02/11/57/341021157.db2.gz GUEBGOFGYOWLTI-UHFFFAOYSA-N 0 1 314.351 3.930 20 30 DHEDMN COc1ccc2oc(CN(C)Cc3cccc(C#N)c3)cc2c1 ZINC000130790909 341044737 /nfs/dbraw/zinc/04/47/37/341044737.db2.gz CWZLMBSGILUTBK-UHFFFAOYSA-N 0 1 306.365 3.945 20 30 DHEDMN N#Cc1ccc2nc(-c3csc(Br)c3)[nH]c2c1 ZINC000130980905 341055650 /nfs/dbraw/zinc/05/56/50/341055650.db2.gz ACOKFMVAFVWYTN-UHFFFAOYSA-N 0 1 304.172 3.926 20 30 DHEDMN Cc1sc(NC(=O)CN2CC[C@@H](C(C)(C)C)C2)c(C#N)c1C ZINC000544186100 341073520 /nfs/dbraw/zinc/07/35/20/341073520.db2.gz ODKAVCNEJVYLQT-CYBMUJFWSA-N 0 1 319.474 3.543 20 30 DHEDMN COc1ccccc1[C@@H]1CCN(CC#Cc2ccc(F)cc2)C1 ZINC000132473083 341123937 /nfs/dbraw/zinc/12/39/37/341123937.db2.gz VYHMXNXBSSRBKG-QGZVFWFLSA-N 0 1 309.384 3.675 20 30 DHEDMN C=CCOc1ccc(CNC(C)(C)c2cnn(C)c2)cc1Cl ZINC000546703468 341179492 /nfs/dbraw/zinc/17/94/92/341179492.db2.gz TZSFBXUHAATARO-UHFFFAOYSA-N 0 1 319.836 3.663 20 30 DHEDMN CC(C)OC(=O)c1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000134959067 341227296 /nfs/dbraw/zinc/22/72/96/341227296.db2.gz HUVKIIQESQXULY-UHFFFAOYSA-N 0 1 322.408 3.755 20 30 DHEDMN CC(C)OC(=O)c1ccc(CN(C)Cc2cccc(C#N)c2)cc1 ZINC000134959067 341227297 /nfs/dbraw/zinc/22/72/97/341227297.db2.gz HUVKIIQESQXULY-UHFFFAOYSA-N 0 1 322.408 3.755 20 30 DHEDMN N#Cc1cccc(C2(NCC#Cc3ccc(Cl)cc3)CC2)c1 ZINC000551406306 341340748 /nfs/dbraw/zinc/34/07/48/341340748.db2.gz MSFYNGZRIISZGI-UHFFFAOYSA-N 0 1 306.796 3.842 20 30 DHEDMN N#Cc1cccc(C2(NCC#Cc3cccc(Cl)c3)CC2)c1 ZINC000551708074 341349702 /nfs/dbraw/zinc/34/97/02/341349702.db2.gz HDBONZXXIVVDLO-UHFFFAOYSA-N 0 1 306.796 3.842 20 30 DHEDMN N#CCCC1CCN(Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000564726477 341507799 /nfs/dbraw/zinc/50/77/99/341507799.db2.gz NDNOTHCKVMVREE-UHFFFAOYSA-N 0 1 313.376 3.996 20 30 DHEDMN C[C@]1(NCc2ccc(C#N)cc2[N+](=O)[O-])CCCc2ccccc21 ZINC000567989439 341644149 /nfs/dbraw/zinc/64/41/49/341644149.db2.gz GESGFBATGSJGHR-IBGZPJMESA-N 0 1 321.380 3.808 20 30 DHEDMN N#CCCNCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000574686353 341765887 /nfs/dbraw/zinc/76/58/87/341765887.db2.gz ROQVYCLTTMFWFM-UHFFFAOYSA-N 0 1 302.727 3.894 20 30 DHEDMN CCCC(=O)Nc1cccc(CNCc2ccc(C#N)s2)c1 ZINC000176948872 341905935 /nfs/dbraw/zinc/90/59/35/341905935.db2.gz FRLNMUNWMJDXEQ-UHFFFAOYSA-N 0 1 313.426 3.648 20 30 DHEDMN Cn1cc([C@H](NCC#Cc2ccc(Cl)cc2)C(C)(C)C)cn1 ZINC000539378538 518195118 /nfs/dbraw/zinc/19/51/18/518195118.db2.gz FPFYTHNWZDZIAE-KRWDZBQOSA-N 0 1 315.848 3.802 20 30 DHEDMN CN(CCCOc1cccc(C#N)c1)Cc1ccc(Cl)nc1 ZINC000156641835 522782446 /nfs/dbraw/zinc/78/24/46/522782446.db2.gz UAGXDSTYMCSTFM-UHFFFAOYSA-N 0 1 315.804 3.508 20 30 DHEDMN C[C@@H](NCc1cc(Cl)cc2c1OCC2)c1cccc(C#N)c1 ZINC000181534105 525512732 /nfs/dbraw/zinc/51/27/32/525512732.db2.gz GIZGVKGLWCQKEN-GFCCVEGCSA-N 0 1 312.800 3.997 20 30 DHEDMN C[C@H](c1ccco1)N(C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000179929309 526147165 /nfs/dbraw/zinc/14/71/65/526147165.db2.gz XWBLHKWCGIFPTB-CQSZACIVSA-N 0 1 320.396 3.745 20 30 DHEDMN N#Cc1ccc(CNCc2ccc(COCC(F)(F)F)cc2)o1 ZINC000174260110 526622466 /nfs/dbraw/zinc/62/24/66/526622466.db2.gz NPJMXOYSYSXMRB-UHFFFAOYSA-N 0 1 324.302 3.520 20 30 DHEDMN N#Cc1ccc(F)c(CN(CCCO)[C@H]2CCc3ccccc32)c1 ZINC000265212502 526636688 /nfs/dbraw/zinc/63/66/88/526636688.db2.gz MBNMPCVLCVFAQW-FQEVSTJZSA-N 0 1 324.399 3.569 20 30 DHEDMN Cc1nc(C(C)C)sc1[C@H](C)N(C)Cc1cc(C#N)n(C)c1 ZINC000191426938 526680003 /nfs/dbraw/zinc/68/00/03/526680003.db2.gz XLNBJDIDOUASCV-ZDUSSCGKSA-N 0 1 316.474 3.978 20 30 DHEDMN C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000828149721 601328268 /nfs/dbraw/zinc/32/82/68/601328268.db2.gz NEDSVSZFHOCBMM-MDASCCDHSA-N 0 1 320.392 3.562 20 30 DHEDMN Cc1cc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)oc1C(=O)[O-] ZINC000832883679 601429756 /nfs/dbraw/zinc/42/97/56/601429756.db2.gz XXXKJJAHHYGFOD-DLBZAZTESA-N 0 1 324.380 3.558 20 30 DHEDMN Cc1cc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)oc1C(=O)[O-] ZINC000832883679 601429757 /nfs/dbraw/zinc/42/97/57/601429757.db2.gz XXXKJJAHHYGFOD-DLBZAZTESA-N 0 1 324.380 3.558 20 30 DHEDMN C#CC[N@H+](Cc1ccc(C(=O)[O-])s1)[C@@H]1CCc2ccccc21 ZINC000825614673 601942814 /nfs/dbraw/zinc/94/28/14/601942814.db2.gz ULRZCOOYEAMNMY-MRXNPFEDSA-N 0 1 311.406 3.569 20 30 DHEDMN C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1cccc(C(=O)[O-])c1C#N ZINC000833547445 604600079 /nfs/dbraw/zinc/60/00/79/604600079.db2.gz DJUPNSSNSJYZFT-LBPRGKRZSA-N 0 1 312.344 3.589 20 30 DHEDMN C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1cccc(C(=O)[O-])c1C#N ZINC000833547445 604600082 /nfs/dbraw/zinc/60/00/82/604600082.db2.gz DJUPNSSNSJYZFT-LBPRGKRZSA-N 0 1 312.344 3.589 20 30 DHEDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000833416567 604935154 /nfs/dbraw/zinc/93/51/54/604935154.db2.gz AYZOEVJIKKBNMO-HNNXBMFYSA-N 0 1 319.832 3.514 20 30 DHEDMN C=CCCCCCCN1CCC12CN(C(=O)OC(C)(C)C)C2 ZINC001209431844 1013273258 /nfs/dbraw/zinc/27/32/58/1013273258.db2.gz UXNAWRGDAFRPSZ-UHFFFAOYSA-N 0 1 308.466 3.818 20 30 DHEDMN C=CCCCCCN1CC[C@@](F)(CNC(=O)OC(C)(C)C)C1 ZINC001209432576 1013274779 /nfs/dbraw/zinc/27/47/79/1013274779.db2.gz HFJXHUGZOUPKHY-QGZVFWFLSA-N 0 1 314.445 3.672 20 30 DHEDMN C=CCCCCC[N@H+](C)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001573365363 963053947 /nfs/dbraw/zinc/05/39/47/963053947.db2.gz FUNIDHRXTRRXBN-AWEZNQCLSA-N 0 1 320.433 3.579 20 30 DHEDMN C=CC[N@H+](CCOc1ccc(C(=O)[O-])cc1Cl)C(C)(C)C ZINC001573368079 963073863 /nfs/dbraw/zinc/07/38/63/963073863.db2.gz HUWCVGBUZCCKKZ-UHFFFAOYSA-N 0 1 311.809 3.704 20 30 DHEDMN C=CC[N@H+](CCc1ccccc1)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001573369441 963096826 /nfs/dbraw/zinc/09/68/26/963096826.db2.gz ZQEKJQYJAXJALI-ZHACJKMWSA-N 0 1 311.381 3.608 20 30 DHEDMN COc1ccc(CN(C)Cc2ccc(C#N)cc2OC)cc1C ZINC000120831795 1013520378 /nfs/dbraw/zinc/52/03/78/1013520378.db2.gz QBEMGUJUAQDSDN-UHFFFAOYSA-N 0 1 310.397 3.516 20 30 DHEDMN N#Cc1c(F)cccc1N1CCN([C@H]2CCc3ccccc32)CC1 ZINC000614529194 1013543028 /nfs/dbraw/zinc/54/30/28/1013543028.db2.gz WNDHKOXWKFRIFI-FQEVSTJZSA-N 0 1 321.399 3.507 20 30 DHEDMN C=CCC[C@@H](O)CN1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000472580933 1013579331 /nfs/dbraw/zinc/57/93/31/1013579331.db2.gz LYWYXOKASHCLSX-HZPDHXFCSA-N 0 1 311.878 3.757 20 30 DHEDMN C=C(C)CN(CC)C(=O)CN(C)CC(C)(C)c1ccc(C)cc1 ZINC000441342261 1013721414 /nfs/dbraw/zinc/72/14/14/1013721414.db2.gz YNTWWIHGJSGNRB-UHFFFAOYSA-N 0 1 316.489 3.629 20 30 DHEDMN Cc1cc([C@@H]2CCCN(C(=O)NCC3(C)CCCCC3)C2)n[nH]1 ZINC000328666240 1013789046 /nfs/dbraw/zinc/78/90/46/1013789046.db2.gz CNNTUOFHWWRNFC-OAHLLOKOSA-N 0 1 318.465 3.782 20 30 DHEDMN C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1coc(C2CCCCC2)n1 ZINC000328759052 1013795592 /nfs/dbraw/zinc/79/55/92/1013795592.db2.gz WMIYMACJHPNIAO-DOMZBBRYSA-N 0 1 317.433 3.510 20 30 DHEDMN CC[C@@H]1CCC[C@H](NC(=O)N2CCC[C@@H](c3cc(C)[nH]n3)C2)C1 ZINC000328748584 1013794939 /nfs/dbraw/zinc/79/49/39/1013794939.db2.gz QLXNQHWHKQBALN-OAGGEKHMSA-N 0 1 318.465 3.780 20 30 DHEDMN Oc1c(Cl)cc(Cl)cc1/C=N\CCc1cscn1 ZINC000255138871 1013906081 /nfs/dbraw/zinc/90/60/81/1013906081.db2.gz WFKAXBGSXXVRNW-WCSRMQSCSA-N 0 1 301.198 3.817 20 30 DHEDMN C[C@@H](N=c1nc(-c2ccccc2)[nH]s1)c1cccc(C#N)c1 ZINC000610340317 1013945824 /nfs/dbraw/zinc/94/58/24/1013945824.db2.gz WFCZIKVUWHCMNF-GFCCVEGCSA-N 0 1 306.394 3.672 20 30 DHEDMN C[C@@H](NCc1ccc(Br)cn1)c1cccc(C#N)c1 ZINC000610345114 1013954061 /nfs/dbraw/zinc/95/40/61/1013954061.db2.gz SBERIBNRXXXKMX-LLVKDONJSA-N 0 1 316.202 3.567 20 30 DHEDMN N#Cc1ccc(CN(Cc2ccccc2)C[C@@H]2CCCO2)s1 ZINC000119059252 1014106655 /nfs/dbraw/zinc/10/66/55/1014106655.db2.gz LCDXGJMQDLRNIB-INIZCTEOSA-N 0 1 312.438 3.801 20 30 DHEDMN C=CCCc1ccccc1NC(=O)NCc1cc(N(C)C)ccn1 ZINC000931289085 1032089854 /nfs/dbraw/zinc/08/98/54/1032089854.db2.gz XHPLXUAMAYSDMI-UHFFFAOYSA-N 0 1 324.428 3.588 20 30 DHEDMN Cn1cncc1Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC001211252757 1014274252 /nfs/dbraw/zinc/27/42/52/1014274252.db2.gz XNARBANCYDGBQV-UHFFFAOYSA-N 0 1 313.176 3.739 20 30 DHEDMN Oc1ccccc1/C=N/C1CCN(Cc2ccc(F)cc2)CC1 ZINC000126876048 1014478358 /nfs/dbraw/zinc/47/83/58/1014478358.db2.gz CWXJPSZPVIXKIR-FYJGNVAPSA-N 0 1 312.388 3.615 20 30 DHEDMN CN(Cc1cn[nH]c1)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000610487610 1014635142 /nfs/dbraw/zinc/63/51/42/1014635142.db2.gz PJPIGLJVDHONBJ-UHFFFAOYSA-N 0 1 302.381 3.580 20 30 DHEDMN CC[C@H](c1ccccc1)[N@@H+](CCCC(C)(C)C#N)CC(=O)[O-] ZINC001595363117 980778092 /nfs/dbraw/zinc/77/80/92/980778092.db2.gz BCTALQQZBKMVCW-MRXNPFEDSA-N 0 1 302.418 3.854 20 30 DHEDMN C=CC[C@@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])c3cccnc23)C1 ZINC000903907376 981032498 /nfs/dbraw/zinc/03/24/98/981032498.db2.gz WAIMHWYAJCJCPF-CQSZACIVSA-N 0 1 310.397 3.721 20 30 DHEDMN CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1CC(=O)[O-] ZINC001595885871 982910977 /nfs/dbraw/zinc/91/09/77/982910977.db2.gz KFOVIETZFRLQDQ-UHFFFAOYSA-N 0 1 322.408 3.598 20 30 DHEDMN CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1C(=O)[O-] ZINC001595886072 982913724 /nfs/dbraw/zinc/91/37/24/982913724.db2.gz WAZHLZXZVJYMEB-UHFFFAOYSA-N 0 1 308.381 3.669 20 30 DHEDMN CCC[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)[O-])c1C#N ZINC001595900250 982951427 /nfs/dbraw/zinc/95/14/27/982951427.db2.gz XCIHVMCLJWVQQU-UHFFFAOYSA-N 0 1 308.381 3.669 20 30 DHEDMN COc1ccc2c(c1)CC/C(=C/c1cc(F)c(O)c(F)c1)C2=O ZINC000255311928 1014916978 /nfs/dbraw/zinc/91/69/78/1014916978.db2.gz QMOAZVOYPRNOGS-SDQBBNPISA-N 0 1 316.303 3.892 20 30 DHEDMN C#CC[N@H+](C[C@@H]1CCCC[C@@H]1C(=O)[O-])[C@H]1CCc2ccccc21 ZINC001588467932 983499440 /nfs/dbraw/zinc/49/94/40/983499440.db2.gz IJAQAZFNJMZODH-WDSOQIARSA-N 0 1 311.425 3.500 20 30 DHEDMN C#CC[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC001588471736 983507764 /nfs/dbraw/zinc/50/77/64/983507764.db2.gz YUCJVXPWUNDUHA-UHFFFAOYSA-N 0 1 313.784 3.674 20 30 DHEDMN CC[N@@H+](Cc1cccc(C(=O)[O-])c1C#N)[C@@H]1CCCC[C@H]1C ZINC001596364495 983848205 /nfs/dbraw/zinc/84/82/05/983848205.db2.gz JCHVDIZFGIQRJN-CXAGYDPISA-N 0 1 300.402 3.657 20 30 DHEDMN C=C1CC[NH+]([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC000581612821 1015050508 /nfs/dbraw/zinc/05/05/08/1015050508.db2.gz FOLDRWUFBKWRQN-CYBMUJFWSA-N 0 1 300.185 3.771 20 30 DHEDMN C=CCOc1ccc(CN[C@H](C)c2cccc(O)c2)cc1OC 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Cc1ccc(C(O)=C(C#N)c2nc(-c3ccccc3)cs2)n1C ZINC000041533376 1015611155 /nfs/dbraw/zinc/61/11/55/1015611155.db2.gz XTDHFRXDAAKZSB-AWEZNQCLSA-N 0 1 321.405 3.947 20 30 DHEDMN CCC[C@H](NC(=O)[C@@H]1CCc2[nH]nnc2C1)C1CCCCC1 ZINC000329044034 1015634552 /nfs/dbraw/zinc/63/45/52/1015634552.db2.gz UGGDUJIZFNBDBS-KGLIPLIRSA-N 0 1 304.438 3.615 20 30 DHEDMN CCC[C@H](NC(=O)[C@@H]1CCc2nn[nH]c2C1)C1CCCCC1 ZINC000329044034 1015634559 /nfs/dbraw/zinc/63/45/59/1015634559.db2.gz UGGDUJIZFNBDBS-KGLIPLIRSA-N 0 1 304.438 3.615 20 30 DHEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000329204860 1015660190 /nfs/dbraw/zinc/66/01/90/1015660190.db2.gz XSERHVPFOODTIK-LJISPDSOSA-N 0 1 301.434 3.830 20 30 DHEDMN C=CCN(Cc1ccccc1F)C(=O)c1[nH]nc2ccccc21 ZINC000342260281 1016201410 /nfs/dbraw/zinc/20/14/10/1016201410.db2.gz HKKYASMDHDOWKC-UHFFFAOYSA-N 0 1 309.344 3.530 20 30 DHEDMN C[C@@H]1C[C@H](c2ccccc2)[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC001594270568 999045892 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ZINC000127534321 1024777202 /nfs/dbraw/zinc/77/72/02/1024777202.db2.gz CVVDSSUGASBUFK-CVEARBPZSA-N 0 1 321.424 3.650 20 30 DHEDMN N#Cc1c(Cl)cccc1NCCN1CCc2sccc2C1 ZINC000350280269 1024803134 /nfs/dbraw/zinc/80/31/34/1024803134.db2.gz VKOZVJRBFQBEKL-UHFFFAOYSA-N 0 1 317.845 3.743 20 30 DHEDMN C[C@H](CCCC#N)N1CCc2ccc(Br)cc2C1 ZINC001172507584 1033235516 /nfs/dbraw/zinc/23/55/16/1033235516.db2.gz XAGFUEYERSARKI-GFCCVEGCSA-N 0 1 307.235 3.890 20 30 DHEDMN Cc1cccc(C)c1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000127557678 1024815952 /nfs/dbraw/zinc/81/59/52/1024815952.db2.gz JYWMOBFGZNWKHV-JKSUJKDBSA-N 0 1 321.424 3.853 20 30 DHEDMN Cc1ccc(F)c(N=NC(C)c2ccc(C(=O)N(C)C)cc2)c1 ZINC000793025969 1024872288 /nfs/dbraw/zinc/87/22/88/1024872288.db2.gz OWYQNRCYEINPBI-UHFFFAOYSA-N 0 1 313.376 3.672 20 30 DHEDMN CCOC1(C(=O)C(C#N)c2nc(C(C)C)cs2)CCCC1 ZINC000793161696 1024907178 /nfs/dbraw/zinc/90/71/78/1024907178.db2.gz CDABYUVBIDINHM-GFCCVEGCSA-N 0 1 306.431 3.792 20 30 DHEDMN COCCc1nc(C)c(C(C)=NNc2cccc(Cl)n2)s1 ZINC000793164080 1024911225 /nfs/dbraw/zinc/91/12/25/1024911225.db2.gz RJZADEZXEXVYBP-UHFFFAOYSA-N 0 1 324.837 3.525 20 30 DHEDMN CCOc1cc(C=NNc2cccc(Cl)n2)ccc1OC ZINC000793173635 1024921123 /nfs/dbraw/zinc/92/11/23/1024921123.db2.gz CALSLNQCKURWDV-UHFFFAOYSA-N 0 1 305.765 3.588 20 30 DHEDMN C#CCCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)cc1 ZINC000793232010 1024943755 /nfs/dbraw/zinc/94/37/55/1024943755.db2.gz UJPNEDQCAGLYSE-CZUORRHYSA-N 0 1 311.347 3.861 20 30 DHEDMN CC(C)(C#N)c1ccc(CNCc2cnn(CC3CCC3)c2)cc1 ZINC000897429604 1024967298 /nfs/dbraw/zinc/96/72/98/1024967298.db2.gz JPAZOZXWDJVLHA-UHFFFAOYSA-N 0 1 322.456 3.774 20 30 DHEDMN Cc1nc[nH]c1-c1nc(-c2cc(Cl)c(C#N)cc2Cl)no1 ZINC001212668849 1033249115 /nfs/dbraw/zinc/24/91/15/1033249115.db2.gz UREZNDQYYJGOLT-UHFFFAOYSA-N 0 1 320.139 3.614 20 30 DHEDMN N#CCCCOc1cccc(CNCc2ccc(C#N)cc2F)c1 ZINC000237709732 1024983191 /nfs/dbraw/zinc/98/31/91/1024983191.db2.gz GGHVWZDSZYXIDY-UHFFFAOYSA-N 0 1 323.371 3.670 20 30 DHEDMN CN(C)Cc1cc(-c2noc(CCCCCC#N)n2)ccc1F ZINC000350056079 1025005031 /nfs/dbraw/zinc/00/50/31/1025005031.db2.gz RUGLLGGWYHZEDG-UHFFFAOYSA-N 0 1 316.380 3.564 20 30 DHEDMN COc1ccccc1O[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000353284504 1025012494 /nfs/dbraw/zinc/01/24/94/1025012494.db2.gz FLIFIFGOYAKEOR-GOSISDBHSA-N 0 1 322.408 3.610 20 30 DHEDMN CCCCOc1ccc([C@@H](C)NCc2ccc(C#N)cn2)cc1 ZINC000793557654 1025102932 /nfs/dbraw/zinc/10/29/32/1025102932.db2.gz PELBVFXNHNMWOX-OAHLLOKOSA-N 0 1 309.413 3.983 20 30 DHEDMN C[N@@H+](CCC(C)(C)C#N)Cc1ccc(Br)c(F)c1 ZINC000617261610 1025135830 /nfs/dbraw/zinc/13/58/30/1025135830.db2.gz BSGFCKPMXPGWPJ-UHFFFAOYSA-N 0 1 313.214 3.960 20 30 DHEDMN CN(CCC(C)(C)C#N)Cc1ccc(Br)c(F)c1 ZINC000617261610 1025135892 /nfs/dbraw/zinc/13/58/92/1025135892.db2.gz BSGFCKPMXPGWPJ-UHFFFAOYSA-N 0 1 313.214 3.960 20 30 DHEDMN C=CC1CCN(Cc2c(C(C)C)nc3sc(C)nn23)CC1 ZINC000353584167 1025142308 /nfs/dbraw/zinc/14/23/08/1025142308.db2.gz FGRTWOFYCRDBCK-UHFFFAOYSA-N 0 1 304.463 3.621 20 30 DHEDMN CCc1nc(C)c([C@H](C)NCc2ccc(C#N)c(OC)c2)s1 ZINC000353613782 1025154372 /nfs/dbraw/zinc/15/43/72/1025154372.db2.gz WCGXTOMXAWCREB-NSHDSACASA-N 0 1 315.442 3.745 20 30 DHEDMN Cc1cc(C(=O)Nc2cc(C#N)ccc2O)c(C)cc1Cl ZINC000793735138 1025157670 /nfs/dbraw/zinc/15/76/70/1025157670.db2.gz IGXMCCXGANRNNV-UHFFFAOYSA-N 0 1 300.745 3.786 20 30 DHEDMN CCNc1ccc(Cl)cc1C(=O)Nc1cc(C#N)ccc1O ZINC000793735214 1025158554 /nfs/dbraw/zinc/15/85/54/1025158554.db2.gz JWCKGGBPBPIIOA-UHFFFAOYSA-N 0 1 315.760 3.601 20 30 DHEDMN COc1cc(CN[C@H]2CCc3c2c(F)ccc3F)ccc1C#N ZINC000353629600 1025162800 /nfs/dbraw/zinc/16/28/00/1025162800.db2.gz ZBTDQQSYWWGHFO-INIZCTEOSA-N 0 1 314.335 3.622 20 30 DHEDMN Cc1cc(N=NCc2cc(F)cc(C(F)(F)F)c2)nc(C)n1 ZINC000772841953 1025218237 /nfs/dbraw/zinc/21/82/37/1025218237.db2.gz ZDEMONDPVHJZGJ-UHFFFAOYSA-N 0 1 312.270 3.697 20 30 DHEDMN Cc1cc(C(=O)C(C#N)c2nc(C(C)C)cs2)c(C)n1C ZINC000353885336 1025279087 /nfs/dbraw/zinc/27/90/87/1025279087.db2.gz CCQIMDMZZHNSNX-CYBMUJFWSA-N 0 1 301.415 3.712 20 30 DHEDMN N#Cc1ccc2ncc(CN3CCC[C@@H]3c3ccccc3)n2c1 ZINC000123650834 1025392219 /nfs/dbraw/zinc/39/22/19/1025392219.db2.gz JKKVLNZIXFORDK-GOSISDBHSA-N 0 1 302.381 3.543 20 30 DHEDMN Cc1csc(C(C#N)C(=O)c2cccc(Br)c2)n1 ZINC000041520309 1025409235 /nfs/dbraw/zinc/40/92/35/1025409235.db2.gz SBHMGAZENRHHQE-LLVKDONJSA-N 0 1 321.199 3.704 20 30 DHEDMN Cc1ccncc1CNCC#Cc1ccc(C(F)(F)F)cc1 ZINC000354550279 1025453070 /nfs/dbraw/zinc/45/30/70/1025453070.db2.gz XACCXPQOKFUFSU-UHFFFAOYSA-N 0 1 304.315 3.550 20 30 DHEDMN CC[C@H](CC#N)NC1CC(c2ccc(Br)cc2)C1 ZINC000054183498 1025516194 /nfs/dbraw/zinc/51/61/94/1025516194.db2.gz BPVNFJYVMKTNLN-HNFVBEJKSA-N 0 1 307.235 3.977 20 30 DHEDMN CC[C@@H](CC#N)NC1CC(c2cccc(Br)c2)C1 ZINC000054183485 1025516802 /nfs/dbraw/zinc/51/68/02/1025516802.db2.gz JDJDMSUAUHTIRL-BLZCZZARSA-N 0 1 307.235 3.977 20 30 DHEDMN COc1cc(C)cc(CNC(C)(C)c2cccc(C#N)c2)c1OC ZINC000886157806 1025536698 /nfs/dbraw/zinc/53/66/98/1025536698.db2.gz 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N#Cc1ccc(C2CCN(Cc3cnc(C4CC4)nc3)CC2)cc1 ZINC000897588561 1031660857 /nfs/dbraw/zinc/66/08/57/1031660857.db2.gz GJVKBJRQMHHIQW-UHFFFAOYSA-N 0 1 318.424 3.605 20 30 DHEDMN C=CC(C)(C)CNC(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000873034816 1031697033 /nfs/dbraw/zinc/69/70/33/1031697033.db2.gz YTUUNICSWMZPEJ-CQSZACIVSA-N 0 1 318.465 3.634 20 30 DHEDMN Cc1ccc(Br)c(F)c1CNCC1(CC#N)CC1 ZINC000873119290 1031717603 /nfs/dbraw/zinc/71/76/03/1031717603.db2.gz FYXCJQKVILOCEV-UHFFFAOYSA-N 0 1 311.198 3.680 20 30 DHEDMN C[C@H](NC[C@H](O)CC#N)c1ccc(Oc2ccccc2)c(F)c1 ZINC000930203202 1031733309 /nfs/dbraw/zinc/73/33/09/1031733309.db2.gz VMTKRHFRLDRQLX-DZGCQCFKSA-N 0 1 314.360 3.543 20 30 DHEDMN CS[C@H](C)CCC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845841095 1031738719 /nfs/dbraw/zinc/73/87/19/1031738719.db2.gz KOPYEBHMZUMXLZ-UKRRQHHQSA-N 0 1 315.438 3.528 20 30 DHEDMN C[C@@H]1CC[C@H](CC(=O)C(C#N)=C(O)C2(c3ccccc3)CC2)C1 ZINC000845842133 1031739044 /nfs/dbraw/zinc/73/90/44/1031739044.db2.gz RIYNZFLYOFJBNC-HLLBOEOZSA-N 0 1 309.409 3.822 20 30 DHEDMN C[C@@H]1CCC[C@@H](C(=O)C(C#N)=C(O)C2(c3ccccc3)CC2)C1 ZINC000845840559 1031740201 /nfs/dbraw/zinc/74/02/01/1031740201.db2.gz DXYPMESVFHVXIU-INMHGKMJSA-N 0 1 309.409 3.822 20 30 DHEDMN Cc1ccc(CC(=O)C(C#N)=C(O)C2(c3ccccc3)CC2)s1 ZINC000845840141 1031740725 /nfs/dbraw/zinc/74/07/25/1031740725.db2.gz ZYJKMIQMKUZFEF-INIZCTEOSA-N 0 1 323.417 3.609 20 30 DHEDMN N#CC(C(=O)CCCC(F)(F)F)=C(O)C1(c2ccccc2)CC1 ZINC000845841004 1031740963 /nfs/dbraw/zinc/74/09/63/1031740963.db2.gz IQZAWEGZPUZKOS-CYBMUJFWSA-N 0 1 323.314 3.729 20 30 DHEDMN C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(C(F)(F)F)nc1 ZINC000873184802 1031746747 /nfs/dbraw/zinc/74/67/47/1031746747.db2.gz ZQBXFAWNNTZSPO-SNVBAGLBSA-N 0 1 323.293 3.962 20 30 DHEDMN COc1ccccc1[C@@H](CC(C)C)NCc1cncc(C#N)c1 ZINC000930232646 1031748340 /nfs/dbraw/zinc/74/83/40/1031748340.db2.gz GNJICHVZTBTYCK-GOSISDBHSA-N 0 1 309.413 3.839 20 30 DHEDMN Cc1cc(C#N)cc(C)c1CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000930234465 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ZINC000777905385 1031817510 /nfs/dbraw/zinc/81/75/10/1031817510.db2.gz JBVKZCXHLYTKEE-ZDUSSCGKSA-N 0 1 314.820 3.797 20 30 DHEDMN C[C@H]1CC(N=Nc2cc(Cl)ccn2)CN1Cc1ccccc1 ZINC000777905385 1031817520 /nfs/dbraw/zinc/81/75/20/1031817520.db2.gz JBVKZCXHLYTKEE-ZDUSSCGKSA-N 0 1 314.820 3.797 20 30 DHEDMN Cc1ccc(-c2n[nH]cc2C=NNc2cc(Cl)ccn2)cc1 ZINC000777913082 1031826884 /nfs/dbraw/zinc/82/68/84/1031826884.db2.gz IJXXYRFAYCXZFY-UHFFFAOYSA-N 0 1 311.776 3.880 20 30 DHEDMN Cc1noc(C)c1C(C)(C)NCc1cc(Cl)cc(C#N)c1 ZINC000930478236 1031836681 /nfs/dbraw/zinc/83/66/81/1031836681.db2.gz YKYCVWAZNXTGLH-UHFFFAOYSA-N 0 1 303.793 3.841 20 30 DHEDMN C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H]1COCc1ccccc1 ZINC001171221313 1031959253 /nfs/dbraw/zinc/95/92/53/1031959253.db2.gz KNKSGHJEMXIYSK-DYESRHJHSA-N 0 1 320.436 3.780 20 30 DHEDMN N#CCCCOc1cccc(CN2CC(Cc3ccoc3)C2)c1 ZINC000898160877 1031969725 /nfs/dbraw/zinc/96/97/25/1031969725.db2.gz XRZNXLXTEKIUSC-UHFFFAOYSA-N 0 1 310.397 3.637 20 30 DHEDMN C=C(C)CONC(=O)C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000846539309 1032004271 /nfs/dbraw/zinc/00/42/71/1032004271.db2.gz UBFVCCBKXSVIQB-UHFFFAOYSA-N 0 1 301.308 3.607 20 30 DHEDMN C[C@H](c1ccc(F)nc1)N1CCC(Nc2ccccc2C#N)CC1 ZINC000931033949 1032016390 /nfs/dbraw/zinc/01/63/90/1032016390.db2.gz VMZJVAGIXQFCKH-CQSZACIVSA-N 0 1 324.403 3.730 20 30 DHEDMN CCCC[C@H]1C[C@H](N(C)CCC#N)CCN1C(=O)OC(C)(C)C ZINC001172631897 1033300551 /nfs/dbraw/zinc/30/05/51/1033300551.db2.gz GZVVYASRBZVWRM-CVEARBPZSA-N 0 1 323.481 3.790 20 30 DHEDMN COCc1ccc(C(=O)C(C#N)c2nc3ccccc3s2)cc1 ZINC000041503500 1033328872 /nfs/dbraw/zinc/32/88/72/1033328872.db2.gz LMSRMMPACHHXAM-AWEZNQCLSA-N 0 1 322.389 3.933 20 30 DHEDMN CSCCCCCCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000860468987 1033388511 /nfs/dbraw/zinc/38/85/11/1033388511.db2.gz HKCBNJOCTICXRB-OAHLLOKOSA-N 0 1 318.442 3.647 20 30 DHEDMN CCCC[C@@H](CC)CC(=O)[C@H](C#N)C(=O)NC1CCCCC1 ZINC000117532184 1033395461 /nfs/dbraw/zinc/39/54/61/1033395461.db2.gz RHLCZVYMNJSDNY-ZBFHGGJFSA-N 0 1 306.450 3.751 20 30 DHEDMN C[C@H](Cc1ccc(F)cc1Cl)NCc1ncc(C#N)s1 ZINC001172858284 1033429845 /nfs/dbraw/zinc/42/98/45/1033429845.db2.gz LKPJYESJGFCLRO-SECBINFHSA-N 0 1 309.797 3.528 20 30 DHEDMN C[C@H](CC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1)C(F)(F)F ZINC000860853960 1033513153 /nfs/dbraw/zinc/51/31/53/1033513153.db2.gz PQZIDPHBDAKWHD-DGCLKSJQSA-N 0 1 323.314 3.585 20 30 DHEDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(CCC#N)C1CCCC1 ZINC001173225413 1033602453 /nfs/dbraw/zinc/60/24/53/1033602453.db2.gz BYLFSIJUOFCRFJ-CQSZACIVSA-N 0 1 301.390 3.684 20 30 DHEDMN CC[C@H]1CC[C@H](NC2(C#N)CCN(Cc3ccccc3)CC2)C1 ZINC001173269485 1033637836 /nfs/dbraw/zinc/63/78/36/1033637836.db2.gz VYJYQWHEMYULPX-HKUYNNGSSA-N 0 1 311.473 3.713 20 30 DHEDMN N#CCC1CCC(n2c(CN)nc3ccc(Cl)cc32)CC1 ZINC001173325115 1033686355 /nfs/dbraw/zinc/68/63/55/1033686355.db2.gz CXVHQTZGSWKHGB-UHFFFAOYSA-N 0 1 302.809 3.793 20 30 DHEDMN C=CCOc1ccccc1C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000553474848 1033703611 /nfs/dbraw/zinc/70/36/11/1033703611.db2.gz 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C[C@H](CCC#N)CNc1cccc(CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000602497024 1041059391 /nfs/dbraw/zinc/05/93/91/1041059391.db2.gz GSMRIAKRMBERGA-ZACQAIPSSA-N 0 1 315.461 3.648 20 30 DHEDMN C[C@@H](CCC#N)CNc1cccc(CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000602497022 1041060597 /nfs/dbraw/zinc/06/05/97/1041060597.db2.gz GSMRIAKRMBERGA-YESZJQIVSA-N 0 1 315.461 3.648 20 30 DHEDMN CCCC[C@H](NCc1cccc(C#N)n1)c1ccc(OC)cc1 ZINC000602534154 1041093069 /nfs/dbraw/zinc/09/30/69/1041093069.db2.gz GEVSVYWIWGVMCM-IBGZPJMESA-N 0 1 309.413 3.983 20 30 DHEDMN CCCOc1ccc(C(C)(C)NCc2cccc(C#N)n2)cc1 ZINC000602645836 1041132767 /nfs/dbraw/zinc/13/27/67/1041132767.db2.gz UCHFPOSIENAUBZ-UHFFFAOYSA-N 0 1 309.413 3.767 20 30 DHEDMN COc1ccc(OC)c([C@H]2CCCN2CC2(CC#N)CC2)c1 ZINC000602765028 1041212210 /nfs/dbraw/zinc/21/22/10/1041212210.db2.gz ACXSHNMNFKEMAK-MRXNPFEDSA-N 0 1 300.402 3.535 20 30 DHEDMN CSC1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000602921302 1041319532 /nfs/dbraw/zinc/31/95/32/1041319532.db2.gz 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CCN(CCCC(C)(C)C#N)CC(=O)Nc1c(F)cccc1F ZINC000174808503 333090977 /nfs/dbraw/zinc/09/09/77/333090977.db2.gz CKWRISIQJHAPNU-UHFFFAOYSA-N 0 1 323.387 3.555 20 30 DHEDMN N#Cc1ccccc1CN[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179068777 333146228 /nfs/dbraw/zinc/14/62/28/333146228.db2.gz PSDZEVWQACVUAU-HXUWFJFHSA-N 0 1 320.392 3.570 20 30 DHEDMN COc1cccc([C@H](N[C@@H]2CCC[C@@H](C#N)C2)c2cccnc2)c1 ZINC000364044987 333226586 /nfs/dbraw/zinc/22/65/86/333226586.db2.gz YEBGWEGLNFEDIF-ZTNFWEORSA-N 0 1 321.424 3.852 20 30 DHEDMN COc1ccc(C#N)cc1CN1CC[C@@H](C(F)(F)F)C1(C)C ZINC000318954281 333231706 /nfs/dbraw/zinc/23/17/06/333231706.db2.gz DMXQKBAQLCKQKO-CQSZACIVSA-N 0 1 312.335 3.730 20 30 DHEDMN N#CCSCCCN1CCCc2[nH]c3ccc(F)cc3c2C1 ZINC000364079686 333234884 /nfs/dbraw/zinc/23/48/84/333234884.db2.gz APWYUPQZEBUGED-UHFFFAOYSA-N 0 1 317.433 3.702 20 30 DHEDMN CC(C)[C@H](c1ccccc1)N(C)CC(=O)Nc1cccc(C#N)c1 ZINC000497393416 333245339 /nfs/dbraw/zinc/24/53/39/333245339.db2.gz SXVIXBPUKRYXEZ-HXUWFJFHSA-N 0 1 321.424 3.826 20 30 DHEDMN CCOc1cc(CN2CCC(CCC#N)CC2)ccc1[N+](=O)[O-] ZINC000563066779 333264857 /nfs/dbraw/zinc/26/48/57/333264857.db2.gz AJBGSSMELRHBHA-UHFFFAOYSA-N 0 1 317.389 3.509 20 30 DHEDMN C[C@H](c1nc(-c2ccccc2)no1)N1CCC(CCC#N)CC1 ZINC000563066771 333264902 /nfs/dbraw/zinc/26/49/02/333264902.db2.gz AEDRFYSPWSJZSM-CQSZACIVSA-N 0 1 310.401 3.813 20 30 DHEDMN CC[C@@H](C)Oc1cccc(NC(=O)c2ccc(C#N)c(O)c2)c1 ZINC000497642489 333273253 /nfs/dbraw/zinc/27/32/53/333273253.db2.gz MVYMEPQAHPDAFZ-GFCCVEGCSA-N 0 1 310.353 3.693 20 30 DHEDMN CCc1oc(C(=O)C(C#N)c2nc3ccccc3n2C)cc1C ZINC000161168356 333371829 /nfs/dbraw/zinc/37/18/29/333371829.db2.gz ATHSAJKJQCRXBY-GFCCVEGCSA-N 0 1 307.353 3.527 20 30 DHEDMN C=CCN(CCOCC(F)(F)C(F)F)Cc1cccs1 ZINC000188592422 333377480 /nfs/dbraw/zinc/37/74/80/333377480.db2.gz PGMQHPZJJHWOLA-UHFFFAOYSA-N 0 1 311.344 3.653 20 30 DHEDMN N#CCc1ccc(CN[C@H]2CCCOc3ccc(F)cc32)cc1 ZINC000563125577 333394561 /nfs/dbraw/zinc/39/45/61/333394561.db2.gz 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/nfs/dbraw/zinc/01/69/26/334016926.db2.gz MHFUGYZSGLUVQW-GOSISDBHSA-N 0 1 324.449 3.973 20 30 DHEDMN CCOc1ccccc1[C@H](C)NCc1ccc(OCC#N)cc1 ZINC000271540282 334024378 /nfs/dbraw/zinc/02/43/78/334024378.db2.gz YKDRIAPNOCHCBJ-HNNXBMFYSA-N 0 1 310.397 3.838 20 30 DHEDMN Cc1cc(Br)cc(CN2CCC(C)(C#N)CC2)c1O ZINC000272517694 334036549 /nfs/dbraw/zinc/03/65/49/334036549.db2.gz KPYOJAPKPNVOCS-UHFFFAOYSA-N 0 1 323.234 3.589 20 30 DHEDMN CC(C)(C)[C@@](C)(C#N)NC(=O)C(F)(F)c1c(F)cccc1F ZINC000274357769 334060263 /nfs/dbraw/zinc/06/02/63/334060263.db2.gz SOHRRXMPRIDYFW-CQSZACIVSA-N 0 1 316.298 3.501 20 30 DHEDMN Cc1c([C@@H](C)NC2(c3cccc(C#N)c3)CC2)cnn1C(C)C ZINC000276550004 334081698 /nfs/dbraw/zinc/08/16/98/334081698.db2.gz QIQUSZMCDCGVLC-CQSZACIVSA-N 0 1 308.429 3.984 20 30 DHEDMN CC[C@@H](NCc1cccc(OC)c1OC)c1ccc(C#N)cc1 ZINC000278274162 334094416 /nfs/dbraw/zinc/09/44/16/334094416.db2.gz PFPPCFRRBVXKJG-QGZVFWFLSA-N 0 1 310.397 3.816 20 30 DHEDMN CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1nc(C(F)(F)F)cs1 ZINC000278672207 334099382 /nfs/dbraw/zinc/09/93/82/334099382.db2.gz RBEWYCOSVFUJHE-AEJSXWLSSA-N 0 1 303.353 3.895 20 30 DHEDMN CC(C)(C#N)CCN1CCC(O)(c2ccccc2Cl)CC1 ZINC000278893856 334103204 /nfs/dbraw/zinc/10/32/04/334103204.db2.gz UTNBDLBLCXBCGB-UHFFFAOYSA-N 0 1 306.837 3.563 20 30 DHEDMN COc1cc(CN[C@H](CCC#N)c2ccccc2)ccc1C#N ZINC000281819628 334128796 /nfs/dbraw/zinc/12/87/96/334128796.db2.gz WSZYVYZJLLQHTI-GOSISDBHSA-N 0 1 305.381 3.702 20 30 DHEDMN CCCC[C@H](C)N(C)CC(=O)Nc1ccccc1SCC#N ZINC000289957974 334169897 /nfs/dbraw/zinc/16/98/97/334169897.db2.gz QPUYAFIUFYJZHQ-AWEZNQCLSA-N 0 1 319.474 3.751 20 30 DHEDMN Cc1nnc(CC/N=C/c2cc(Cl)cc(Cl)c2O)s1 ZINC000290476027 334173091 /nfs/dbraw/zinc/17/30/91/334173091.db2.gz GSMZAZSHFWNDTL-GIDUJCDVSA-N 0 1 316.213 3.521 20 30 DHEDMN Cc1nn(-c2ccccc2C)c(C)c1CN(C)[C@@H]1CC[C@@H](C#N)C1 ZINC000293505938 334198468 /nfs/dbraw/zinc/19/84/68/334198468.db2.gz NYOJVDHFSKELRQ-QZTJIDSGSA-N 0 1 322.456 3.922 20 30 DHEDMN COc1ccc(Br)cc1CN(C)[C@@H]1CC[C@@H](C#N)C1 ZINC000293667164 334200281 /nfs/dbraw/zinc/20/02/81/334200281.db2.gz ZFQJRPCPRWEEFF-BXUZGUMPSA-N 0 1 323.234 3.582 20 30 DHEDMN COc1ccc(Br)cc1CN(C)[C@@H](C)CCC#N ZINC000297830805 334244333 /nfs/dbraw/zinc/24/43/33/334244333.db2.gz JWTFUXDXHMTLSO-NSHDSACASA-N 0 1 311.223 3.582 20 30 DHEDMN C=CCC(CC=C)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000121222125 334343606 /nfs/dbraw/zinc/34/36/06/334343606.db2.gz FKANLJHQJXONPJ-KRWDZBQOSA-N 0 1 316.445 3.691 20 30 DHEDMN Cc1csc([C@H](C#N)C(=O)c2ccccc2OCC2CC2)n1 ZINC000102115648 334379016 /nfs/dbraw/zinc/37/90/16/334379016.db2.gz XGWILWSQGYMNII-CQSZACIVSA-N 0 1 312.394 3.730 20 30 DHEDMN Cc1csc(C(C#N)C(=O)c2ccccc2OCC2CC2)n1 ZINC000102115648 334379017 /nfs/dbraw/zinc/37/90/17/334379017.db2.gz XGWILWSQGYMNII-CQSZACIVSA-N 0 1 312.394 3.730 20 30 DHEDMN N#Cc1cccc(CN2CCC[C@@H](c3nccs3)C2)c1F ZINC000340941967 334395374 /nfs/dbraw/zinc/39/53/74/334395374.db2.gz QDJPFSIXCOEVOO-CQSZACIVSA-N 0 1 301.390 3.533 20 30 DHEDMN N#Cc1cccc(CN[C@H](C[C@H]2CCOC2)c2ccccc2)c1F ZINC000342247533 334520160 /nfs/dbraw/zinc/52/01/60/334520160.db2.gz UERJLDVZRMMIBK-DNVCBOLYSA-N 0 1 324.399 3.955 20 30 DHEDMN N#Cc1ccc2ncc(CNC3(c4cccc(Cl)c4)CC3)n2c1 ZINC000342769501 334574964 /nfs/dbraw/zinc/57/49/64/334574964.db2.gz SKFZOPXGSYHBBE-UHFFFAOYSA-N 0 1 322.799 3.638 20 30 DHEDMN COc1ccc(OC)c([C@H](C)NCc2ccc(CC#N)cc2)c1 ZINC000343688150 335188369 /nfs/dbraw/zinc/18/83/69/335188369.db2.gz KWERYCINUQJQKN-AWEZNQCLSA-N 0 1 310.397 3.621 20 30 DHEDMN Cn1nccc1[C@H]1CCCCN1Cc1ccccc1C(C)(C)C#N ZINC000366867167 335250711 /nfs/dbraw/zinc/25/07/11/335250711.db2.gz ITQVYTIYCVMRIB-LJQANCHMSA-N 0 1 322.456 3.948 20 30 DHEDMN C=CCC[C@H](NCc1cnnn1C)c1ccc(C(F)(F)F)cc1 ZINC000345018325 335291585 /nfs/dbraw/zinc/29/15/85/335291585.db2.gz KYLAZJZVSSOTTL-HNNXBMFYSA-N 0 1 324.350 3.631 20 30 DHEDMN COc1cc(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)ccc1C ZINC000345383131 335321863 /nfs/dbraw/zinc/32/18/63/335321863.db2.gz UJKRBLYNPCOPGW-AWEZNQCLSA-N 0 1 319.364 3.678 20 30 DHEDMN C=CCC(CC=C)C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C ZINC000345511898 335333865 /nfs/dbraw/zinc/33/38/65/335333865.db2.gz UHMUSLUOGHOTRZ-KRWDZBQOSA-N 0 1 314.429 3.779 20 30 DHEDMN C=C(C)C[C@@H](C)C(=O)Nc1cccc2c1OCC[C@H]2N(C)C ZINC000345575049 335335664 /nfs/dbraw/zinc/33/56/64/335335664.db2.gz PIPHUHHHXIRMEA-CZUORRHYSA-N 0 1 302.418 3.613 20 30 DHEDMN C=CCN(CCc1ccco1)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000345859459 335360962 /nfs/dbraw/zinc/36/09/62/335360962.db2.gz DCXYPHDSKCSHIX-UHFFFAOYSA-N 0 1 321.380 3.541 20 30 DHEDMN CCCCn1cc(CN[C@H](C)c2ccc(C#N)c(F)c2)c(C)n1 ZINC000346153110 335382491 /nfs/dbraw/zinc/38/24/91/335382491.db2.gz FQVPKEIWQPHBPU-CYBMUJFWSA-N 0 1 314.408 3.853 20 30 DHEDMN CC(=O)Nc1cccc([C@H](C)NCc2ccc(C#N)c(F)c2)c1 ZINC000192149614 336020020 /nfs/dbraw/zinc/02/00/20/336020020.db2.gz NTWWGAVHWLWBNJ-LBPRGKRZSA-N 0 1 311.360 3.507 20 30 DHEDMN C[C@@H](Cn1cccn1)[NH+]=C([O-])N1CCCC2(CCCCC2)CC1 ZINC000329844199 336088665 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CCCn1c2ccccc2nc1NC(=O)[C@@H]1CCCN1C1CC1 ZINC000330271901 336132198 /nfs/dbraw/zinc/13/21/98/336132198.db2.gz WSXDBHSMAPSJCS-INIZCTEOSA-N 0 1 312.417 3.661 20 30 DHEDMN C=CC[C@H]1N(C(=O)c2cccc(-c3nnc[nH]3)c2)CCCC1(C)C ZINC000332273044 336165870 /nfs/dbraw/zinc/16/58/70/336165870.db2.gz GRYIBCSNEMJYPP-MRXNPFEDSA-N 0 1 324.428 3.679 20 30 DHEDMN CC1(C)CCCN(C(=O)c2cc(C3CCCCC3)[nH]n2)[C@@H]1C#N ZINC000333082346 336197779 /nfs/dbraw/zinc/19/77/79/336197779.db2.gz XKRZTIOUVYZFRY-MRXNPFEDSA-N 0 1 314.433 3.612 20 30 DHEDMN C=CCN(CCc1ccco1)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000352579224 336225520 /nfs/dbraw/zinc/22/55/20/336225520.db2.gz ADUJFZHSWBWGJK-UHFFFAOYSA-N 0 1 321.380 3.541 20 30 DHEDMN N#Cc1ccc(N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)cc1 ZINC000301446944 336307258 /nfs/dbraw/zinc/30/72/58/336307258.db2.gz VURDVQCEKWLYLL-UHFFFAOYSA-N 0 1 320.318 3.684 20 30 DHEDMN C[C@H](NCc1ccc(-c2ccccc2C#N)cc1)c1ccnn1C ZINC000193067994 336392649 /nfs/dbraw/zinc/39/26/49/336392649.db2.gz VNBWIHFPLGAJAF-HNNXBMFYSA-N 0 1 316.408 3.810 20 30 DHEDMN COc1cc(CNCc2ccc(SC)s2)ccc1C#N ZINC000353237898 336407731 /nfs/dbraw/zinc/40/77/31/336407731.db2.gz FACBBBHWZOCXOD-UHFFFAOYSA-N 0 1 304.440 3.640 20 30 DHEDMN COC[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(F)cc1 ZINC000353242019 336407889 /nfs/dbraw/zinc/40/78/89/336407889.db2.gz MPEGSWPFTZVHOS-RBUKOAKNSA-N 0 1 310.372 3.662 20 30 DHEDMN CC(=O)Nc1ccc(CN[C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000358561832 336634742 /nfs/dbraw/zinc/63/47/42/336634742.db2.gz TVLIZUHUCYZUSL-LBPRGKRZSA-N 0 1 311.360 3.507 20 30 DHEDMN Cc1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1Br ZINC000193338301 336696685 /nfs/dbraw/zinc/69/66/85/336696685.db2.gz HWOXJVDFZUESDA-JSGCOSHPSA-N 0 1 307.235 3.930 20 30 DHEDMN COc1ccc(CN[C@H]2CCCc3cnn(C(C)C)c32)cc1C#N ZINC000368149177 336839526 /nfs/dbraw/zinc/83/95/26/336839526.db2.gz RWXMZACLIZMHBC-KRWDZBQOSA-N 0 1 324.428 3.511 20 30 DHEDMN COc1ccc(F)c(CN[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000418145807 336896909 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337036038 /nfs/dbraw/zinc/03/60/38/337036038.db2.gz RGCNZUWWEKSXAM-RDTXWAMCSA-N 0 1 307.397 3.545 20 30 DHEDMN N#C[C@@H]1CCC[C@@H](N[C@H](c2ccncc2)c2ccc(F)cc2)C1 ZINC000376957954 337044309 /nfs/dbraw/zinc/04/43/09/337044309.db2.gz ZGRAVSSYCGUISH-ZMYBRWDISA-N 0 1 309.388 3.982 20 30 DHEDMN COCc1ccccc1C(=O)[C@H](C#N)c1nc(C(C)C)cs1 ZINC000177759878 337157293 /nfs/dbraw/zinc/15/72/93/337157293.db2.gz FTURLMKRFNVZHN-AWEZNQCLSA-N 0 1 314.410 3.903 20 30 DHEDMN COCc1ccccc1C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000177759878 337157294 /nfs/dbraw/zinc/15/72/94/337157294.db2.gz FTURLMKRFNVZHN-AWEZNQCLSA-N 0 1 314.410 3.903 20 30 DHEDMN CC(C)n1cc(CNCC#Cc2ccc(C(F)(F)F)cc2)cn1 ZINC000177714919 337158637 /nfs/dbraw/zinc/15/86/37/337158637.db2.gz GJLNDGYLWJXIHQ-UHFFFAOYSA-N 0 1 321.346 3.624 20 30 DHEDMN CC[C@@H](NCc1ccc(C#N)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000177859880 337160690 /nfs/dbraw/zinc/16/06/90/337160690.db2.gz FLCCIYVPQOYRQH-QGZVFWFLSA-N 0 1 313.332 3.846 20 30 DHEDMN C[C@H](NCCSCc1ccccc1C#N)c1nccs1 ZINC000179410922 337167792 /nfs/dbraw/zinc/16/77/92/337167792.db2.gz SYMBMQGEROULPZ-LBPRGKRZSA-N 0 1 303.456 3.599 20 30 DHEDMN C=CCCCC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000181340711 337181385 /nfs/dbraw/zinc/18/13/85/337181385.db2.gz NKRPQIOGOCHGHB-MRXNPFEDSA-N 0 1 324.428 3.534 20 30 DHEDMN C=CCCCC(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000181340696 337181456 /nfs/dbraw/zinc/18/14/56/337181456.db2.gz NKRPQIOGOCHGHB-INIZCTEOSA-N 0 1 324.428 3.534 20 30 DHEDMN N#Cc1ccc2ncc(CN3CCC(c4ccsc4)CC3)n2c1 ZINC000188693807 337274970 /nfs/dbraw/zinc/27/49/70/337274970.db2.gz JLRGENQOGZNJDD-UHFFFAOYSA-N 0 1 322.437 3.647 20 30 DHEDMN C=C[C@](C)(CC)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000189847432 337283003 /nfs/dbraw/zinc/28/30/03/337283003.db2.gz SFUJTHIMRCXVLQ-MAUKXSAKSA-N 0 1 304.434 3.525 20 30 DHEDMN Cc1cc(F)cc(C(=O)C(C#N)c2cnc3ccccc3n2)c1 ZINC000190949267 337291527 /nfs/dbraw/zinc/29/15/27/337291527.db2.gz QLPFMRGJTHJDLA-AWEZNQCLSA-N 0 1 305.312 3.567 20 30 DHEDMN Cc1cc(F)cc(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)c1 ZINC000190949267 337291528 /nfs/dbraw/zinc/29/15/28/337291528.db2.gz QLPFMRGJTHJDLA-AWEZNQCLSA-N 0 1 305.312 3.567 20 30 DHEDMN CC(C)[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(F)cc1F ZINC000191318253 337295876 /nfs/dbraw/zinc/29/58/76/337295876.db2.gz ZFVGVMGTMQXGIM-QGZVFWFLSA-N 0 1 303.356 3.662 20 30 DHEDMN C=CC[N@H+](CC[C@H](C(=O)[O-])c1ccccc1)Cc1ccccc1 ZINC000584638874 337379665 /nfs/dbraw/zinc/37/96/65/337379665.db2.gz RHZLXEFLLIEGRP-IBGZPJMESA-N 0 1 309.409 3.933 20 30 DHEDMN N#CC1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000123708638 337400697 /nfs/dbraw/zinc/40/06/97/337400697.db2.gz XVGNEZJDKYRTCD-UHFFFAOYSA-N 0 1 311.341 3.590 20 30 DHEDMN COc1ccc2c(c1)[C@@H](NCc1ccc(C#N)s1)CCS2 ZINC000421874404 337657744 /nfs/dbraw/zinc/65/77/44/337657744.db2.gz IHGQLVOJUPWJGK-HNNXBMFYSA-N 0 1 316.451 3.955 20 30 DHEDMN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1nc2ccc(Cl)cc2n1C ZINC000424335579 337822700 /nfs/dbraw/zinc/82/27/00/337822700.db2.gz 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CC(=Cc1ccc(CC(C)C)cc1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435340560 338237625 /nfs/dbraw/zinc/23/76/25/338237625.db2.gz JVNPQLXDJFHOSZ-RAXLEYEMSA-N 0 1 307.397 3.709 20 30 DHEDMN CCOc1ccc(C#N)cc1NC(=O)c1ccc(Cl)cc1O ZINC000436548308 338276483 /nfs/dbraw/zinc/27/64/83/338276483.db2.gz BLWYUUPLZQAWKD-UHFFFAOYSA-N 0 1 316.744 3.568 20 30 DHEDMN CN(CC#Cc1cccc(Cl)c1)CCCC(=O)OC(C)(C)C ZINC000438100831 338331548 /nfs/dbraw/zinc/33/15/48/338331548.db2.gz QRRJQGULNFPKKP-UHFFFAOYSA-N 0 1 321.848 3.745 20 30 DHEDMN N#Cc1ccc(CN2CCC([C@@H]3CCCO3)CC2)c(Cl)c1 ZINC000439287458 338366111 /nfs/dbraw/zinc/36/61/11/338366111.db2.gz WMLNYIKMBAMDAJ-KRWDZBQOSA-N 0 1 304.821 3.603 20 30 DHEDMN C[C@H](C[N@@H+](C)Cc1ccc(C#N)cc1Cl)c1nccs1 ZINC000439439464 338369525 /nfs/dbraw/zinc/36/95/25/338369525.db2.gz OGDDIXHGMITVPA-LLVKDONJSA-N 0 1 305.834 3.904 20 30 DHEDMN C[C@H](CN(C)Cc1ccc(C#N)cc1Cl)c1nccs1 ZINC000439439464 338369526 /nfs/dbraw/zinc/36/95/26/338369526.db2.gz OGDDIXHGMITVPA-LLVKDONJSA-N 0 1 305.834 3.904 20 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/nfs/dbraw/zinc/23/01/11/339230111.db2.gz INDCNBZNQARAHD-LLVKDONJSA-N 0 1 315.244 3.679 20 30 DHEDMN C=CCCN(C)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000467293473 339230209 /nfs/dbraw/zinc/23/02/09/339230209.db2.gz KLTWETXSMLKWIU-UHFFFAOYSA-N 0 1 302.399 3.547 20 30 DHEDMN C=C(C)CN(CC)C(=O)CN[C@@H](C)c1oc2ccccc2c1C ZINC000484988855 339696955 /nfs/dbraw/zinc/69/69/55/339696955.db2.gz SBIYNASKICQWOU-HNNXBMFYSA-N 0 1 314.429 3.816 20 30 DHEDMN COC(=O)[C@@H](C)[C@@H](NCc1ccc(C#N)c(C)c1)c1ccccc1 ZINC000488147194 339771876 /nfs/dbraw/zinc/77/18/76/339771876.db2.gz ZDKMIIXJMLKFLO-HNAYVOBHSA-N 0 1 322.408 3.507 20 30 DHEDMN N#Cc1cccc(/C=C/C(=O)Nc2cc(Cl)c(O)cc2F)c1 ZINC000493127191 339917922 /nfs/dbraw/zinc/91/79/22/339917922.db2.gz IGWIKNPIXWORDF-SNAWJCMRSA-N 0 1 316.719 3.708 20 30 DHEDMN CCN(CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C[C@H](C)C#N ZINC000497010065 340018144 /nfs/dbraw/zinc/01/81/44/340018144.db2.gz VTLCLYMNFIDANL-HZPDHXFCSA-N 0 1 323.481 3.505 20 30 DHEDMN COc1cc(C#N)ccc1CN1CCSC2(CCCCC2)C1 ZINC000501212735 340076196 /nfs/dbraw/zinc/07/61/96/340076196.db2.gz WYTJEURGWRGPNM-UHFFFAOYSA-N 0 1 316.470 3.819 20 30 DHEDMN C=CCOc1ccc(CN(C)Cc2cccs2)cc1OC ZINC000505565156 340171233 /nfs/dbraw/zinc/17/12/33/340171233.db2.gz SYALRLDIUKPXIJ-UHFFFAOYSA-N 0 1 303.427 3.954 20 30 DHEDMN CC(C)N(Cc1cnc2ccc(C#N)cn12)Cc1ccc(F)cc1 ZINC000507173287 340211037 /nfs/dbraw/zinc/21/10/37/340211037.db2.gz LIDYHORYVGXALT-UHFFFAOYSA-N 0 1 322.387 3.756 20 30 DHEDMN C=C(C)CCN1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000509297404 340265674 /nfs/dbraw/zinc/26/56/74/340265674.db2.gz ZMHQRIQPOJCOEU-OAHLLOKOSA-N 0 1 310.235 3.789 20 30 DHEDMN CC(C)c1ccc(O[C@@H](C)CNCc2nc(C#N)cs2)cc1 ZINC000522038539 340563517 /nfs/dbraw/zinc/56/35/17/340563517.db2.gz YBYUVAPDDSQTKK-ZDUSSCGKSA-N 0 1 315.442 3.695 20 30 DHEDMN C=CC1CCN(Cc2cc3c(cc2Br)OCO3)CC1 ZINC000523607792 340629778 /nfs/dbraw/zinc/62/97/78/340629778.db2.gz XBEVIMIYCKZCJX-UHFFFAOYSA-N 0 1 324.218 3.576 20 30 DHEDMN C[C@@H](NCC#Cc1cccc(Cl)c1)c1ccc2c(c1)OCO2 ZINC000538167166 340812112 /nfs/dbraw/zinc/81/21/12/340812112.db2.gz HGTSGYKNRSPENP-CYBMUJFWSA-N 0 1 313.784 3.771 20 30 DHEDMN C=CCNC(=O)CN[C@H](CCC)c1ccc(Cl)cc1Cl ZINC000538579528 340834038 /nfs/dbraw/zinc/83/40/38/340834038.db2.gz XBRQURKQFAJSCH-CQSZACIVSA-N 0 1 315.244 3.726 20 30 DHEDMN CCC[C@H](C#N)NC(=O)c1cc(Cl)c2ccccc2c1O ZINC000539841717 340905231 /nfs/dbraw/zinc/90/52/31/340905231.db2.gz QWFYOPKMUYWZQI-SNVBAGLBSA-N 0 1 302.761 3.621 20 30 DHEDMN C[C@@H](c1ccc(F)cc1F)N1CCN(CCC(C)(C)C#N)CC1 ZINC000131487834 341091388 /nfs/dbraw/zinc/09/13/88/341091388.db2.gz VIMXMEWXBCUETL-AWEZNQCLSA-N 0 1 321.415 3.583 20 30 DHEDMN CC(C)(C#N)c1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000135093802 341230722 /nfs/dbraw/zinc/23/07/22/341230722.db2.gz CKHROCOJPAJTDU-UHFFFAOYSA-N 0 1 319.452 3.810 20 30 DHEDMN N#Cc1ccc(CNCc2cccc(Br)c2)s1 ZINC000135688356 341244119 /nfs/dbraw/zinc/24/41/19/341244119.db2.gz HNRGDBPHVPFVAT-UHFFFAOYSA-N 0 1 307.216 3.672 20 30 DHEDMN C=CCC[C@@H](NCc1c(CC)nn(C)c1CC)c1ccco1 ZINC000552275300 341383197 /nfs/dbraw/zinc/38/31/97/341383197.db2.gz QZJBCSJAYKJFGT-MRXNPFEDSA-N 0 1 301.434 3.935 20 30 DHEDMN C=C(C)COCCNCc1c(Cl)cccc1N1CCCC1 ZINC000092411981 341446602 /nfs/dbraw/zinc/44/66/02/341446602.db2.gz ASYGULDEGCFILD-UHFFFAOYSA-N 0 1 308.853 3.623 20 30 DHEDMN CC[C@@H](CC#N)NCCC(=O)Nc1c(Cl)cccc1Cl ZINC000572897686 341708554 /nfs/dbraw/zinc/70/85/54/341708554.db2.gz SNRPXHJHTCWYJG-JTQLQIEISA-N 0 1 314.216 3.604 20 30 DHEDMN Cc1ncccc1CNCC#Cc1ccc(C(F)(F)F)cc1 ZINC000177714655 341925083 /nfs/dbraw/zinc/92/50/83/341925083.db2.gz LLKCOEWWDJZWPW-UHFFFAOYSA-N 0 1 304.315 3.550 20 30 DHEDMN C[C@H](c1ccccn1)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000267404004 526125950 /nfs/dbraw/zinc/12/59/50/526125950.db2.gz RQRHVAKHPRTQEO-OAHLLOKOSA-N 0 1 307.397 3.558 20 30 DHEDMN N#Cc1ccc(CN[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)o1 ZINC000180346873 526626925 /nfs/dbraw/zinc/62/69/25/526626925.db2.gz ROXXOLUJVAQIEC-JKSUJKDBSA-N 0 1 320.751 3.564 20 30 DHEDMN CCN(CC)c1ncc(CN[C@@H](C)c2ccc(C#N)cc2)s1 ZINC000298790906 535692428 /nfs/dbraw/zinc/69/24/28/535692428.db2.gz RKJGOWMRSIVALP-ZDUSSCGKSA-N 0 1 314.458 3.712 20 30 DHEDMN CC(C)c1ccc(C[N@@H+](C)[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736514765 600561935 /nfs/dbraw/zinc/56/19/35/600561935.db2.gz ZQVWPXQTNMDQAS-LJQANCHMSA-N 0 1 322.408 3.939 20 30 DHEDMN N#Cc1ccc([C@H](C(=O)[O-])[N@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000739103964 600562928 /nfs/dbraw/zinc/56/29/28/600562928.db2.gz DZFPFFDXZXIBOU-GOEBONIOSA-N 0 1 312.394 3.583 20 30 DHEDMN N#Cc1ccc([C@@H](C(=O)[O-])[N@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000739103968 600563051 /nfs/dbraw/zinc/56/30/51/600563051.db2.gz DZFPFFDXZXIBOU-ZBFHGGJFSA-N 0 1 312.394 3.583 20 30 DHEDMN C[C@H](C[N@@H+](CCCC(C)(C)C#N)Cc1ccccc1)C(=O)[O-] ZINC000827449456 601113664 /nfs/dbraw/zinc/11/36/64/601113664.db2.gz KOONAPUAEUGPCS-OAHLLOKOSA-N 0 1 302.418 3.539 20 30 DHEDMN C[N@@H+](CCCCc1ccccc1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830773380 601311158 /nfs/dbraw/zinc/31/11/58/601311158.db2.gz 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C=CCOc1cccc(C[N@H+](C)[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000833378164 604643804 /nfs/dbraw/zinc/64/38/04/604643804.db2.gz ABCHSOHOHVSNOS-GOSISDBHSA-N 0 1 311.381 3.509 20 30 DHEDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000833416848 604950901 /nfs/dbraw/zinc/95/09/01/604950901.db2.gz GYKGNBAWOZPDIV-OAHLLOKOSA-N 0 1 319.832 3.514 20 30 DHEDMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(-c2ccccc2C#N)cc1 ZINC000737825058 604967552 /nfs/dbraw/zinc/96/75/52/604967552.db2.gz VEMUYRKBGBBZIR-UHFFFAOYSA-N 0 1 308.381 3.522 20 30 DHEDMN C=C(C)C[N@@H+](C)Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000652430513 605389860 /nfs/dbraw/zinc/38/98/60/605389860.db2.gz JIGQBLUBGXUGOT-UHFFFAOYSA-N 0 1 302.399 3.516 20 30 DHEDMN C=C(C)C[N@H+](C)Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000652430513 605389862 /nfs/dbraw/zinc/38/98/62/605389862.db2.gz JIGQBLUBGXUGOT-UHFFFAOYSA-N 0 1 302.399 3.516 20 30 DHEDMN C#CC[N@H+](CCC1(C(=O)[O-])CCC1)[C@H]1CCCc2ccccc21 ZINC001602701048 971325608 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N#CC(C(=O)[C@H]1C[C@H]2C[C@H]2C1)c1nc2ccccc2n1C(F)F ZINC000850770001 1021645774 /nfs/dbraw/zinc/64/57/74/1021645774.db2.gz VCYOPVCLWRZGRM-NOOOWODRSA-N 0 1 315.323 3.654 20 30 DHEDMN C[C@@H](CC(C)(C)C#N)NCc1cccnc1OC1CCCC1 ZINC000924656528 1033001525 /nfs/dbraw/zinc/00/15/25/1033001525.db2.gz SEEHZIOHKLRFIT-AWEZNQCLSA-N 0 1 301.434 3.821 20 30 DHEDMN N#C[C@H](C(=O)Cc1ccc(C2CCCCC2)cc1)c1ccncn1 ZINC000850947751 1021692462 /nfs/dbraw/zinc/69/24/62/1021692462.db2.gz KREUQFKRTRMVOS-SFHVURJKSA-N 0 1 319.408 3.943 20 30 DHEDMN C[C@@H]1CC[C@@H](C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000776516918 1021742131 /nfs/dbraw/zinc/74/21/31/1021742131.db2.gz OQSHFLOWLCDFNL-FOGDFJRCSA-N 0 1 322.767 3.563 20 30 DHEDMN CCc1onc(C)c1CNCc1cccc(O[C@H](C#N)CC)c1 ZINC000892973904 1021753106 /nfs/dbraw/zinc/75/31/06/1021753106.db2.gz YFUSWLSMUGQESE-HNNXBMFYSA-N 0 1 313.401 3.516 20 30 DHEDMN N#CCC[C@@H](C#N)CN[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000619550535 1021786090 /nfs/dbraw/zinc/78/60/90/1021786090.db2.gz 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N#Cc1cnc2cc(NCCc3coc4ccccc34)c[nH]c1-2 ZINC001169599013 1022463741 /nfs/dbraw/zinc/46/37/41/1022463741.db2.gz XDJDVGQTFQSFMB-UHFFFAOYSA-N 0 1 302.337 3.835 20 30 DHEDMN CCCCCCCC[C@@H](C)C(=O)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000854986974 1022558657 /nfs/dbraw/zinc/55/86/57/1022558657.db2.gz GVSIOGCWASOWEL-HUUCEWRRSA-N 0 1 306.454 3.507 20 30 DHEDMN C=CC(C)(C)C(=O)N(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000615820432 1022573176 /nfs/dbraw/zinc/57/31/76/1022573176.db2.gz ZYAAMMMRNZPKDV-SNVBAGLBSA-N 0 1 305.809 3.948 20 30 DHEDMN Cc1cc2ccccc2nc1NN=C1COc2ccc(F)cc21 ZINC000776782940 1022574398 /nfs/dbraw/zinc/57/43/98/1022574398.db2.gz OTLMHKUADNPCLM-UHFFFAOYSA-N 0 1 307.328 3.891 20 30 DHEDMN Cc1cc2ccccc2[nH]c1=NN=Cc1ccccc1[N+](=O)[O-] ZINC000776784053 1022574570 /nfs/dbraw/zinc/57/45/70/1022574570.db2.gz GRNPBYOQUPAEJB-UHFFFAOYSA-N 0 1 306.325 3.897 20 30 DHEDMN N#CCOc1ccccc1Nc1ccncc1Oc1ccccc1 ZINC001212596372 1022576512 /nfs/dbraw/zinc/57/65/12/1022576512.db2.gz PRXINZHTPKBBOJ-UHFFFAOYSA-N 0 1 317.348 3.942 20 30 DHEDMN CN1CCCC[C@@H]1c1ccc(NC2=CC(=O)CC(C)(C)C2)nc1 ZINC001169946575 1022597519 /nfs/dbraw/zinc/59/75/19/1022597519.db2.gz FQZRHMUOCRGEAA-QGZVFWFLSA-N 0 1 313.445 3.923 20 30 DHEDMN N#Cc1ccc(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1 ZINC000053220952 1022607979 /nfs/dbraw/zinc/60/79/79/1022607979.db2.gz NHRKGIHTAQFKEI-FQEVSTJZSA-N 0 1 324.399 3.879 20 30 DHEDMN C#CCOc1ccc(CN[C@@H](C)c2cc(F)ccc2OC)cc1 ZINC000113323972 1022636182 /nfs/dbraw/zinc/63/61/82/1022636182.db2.gz WQZPNJLDWJFMCQ-AWEZNQCLSA-N 0 1 313.372 3.697 20 30 DHEDMN C=CC[C@@H](NCc1cncc(Br)c1)c1ccncc1 ZINC000767180961 1022664815 /nfs/dbraw/zinc/66/48/15/1022664815.db2.gz FLTKRXHZCXBUJW-OAHLLOKOSA-N 0 1 318.218 3.646 20 30 DHEDMN C#CCN1CCC(C(=O)N2C[C@@H](C(C)(C)C)c3ccccc32)CC1 ZINC000767229280 1022671674 /nfs/dbraw/zinc/67/16/74/1022671674.db2.gz HZMHNXQVXNEAMW-GOSISDBHSA-N 0 1 324.468 3.508 20 30 DHEDMN N#CCc1ccnc(NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000767289354 1022682245 /nfs/dbraw/zinc/68/22/45/1022682245.db2.gz AHGOLRABGQPENC-UHFFFAOYSA-N 0 1 308.168 3.772 20 30 DHEDMN Cc1ccnc(N=NC2C[C@@H](C)CN(Cc3ccccc3)C2)c1 ZINC000767386070 1022709085 /nfs/dbraw/zinc/70/90/85/1022709085.db2.gz RDHBBIPWCAKJNF-MRXNPFEDSA-N 0 1 308.429 3.700 20 30 DHEDMN COCCCC[C@@H](NCc1cc(C#N)ccn1)c1ccccc1 ZINC001169978853 1022866514 /nfs/dbraw/zinc/86/65/14/1022866514.db2.gz FTTMLEPYGHVKMJ-LJQANCHMSA-N 0 1 309.413 3.601 20 30 DHEDMN CC(C)(C#N)CCN(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000538514959 1033090263 /nfs/dbraw/zinc/09/02/63/1033090263.db2.gz YURUXPUDUZPUMH-UHFFFAOYSA-N 0 1 315.244 3.728 20 30 DHEDMN N#Cc1cc(Cl)nc(NN=Cc2ccc(F)c(Cl)c2)c1 ZINC000768376205 1022958821 /nfs/dbraw/zinc/95/88/21/1022958821.db2.gz RJAWEDNALDWSIZ-UHFFFAOYSA-N 0 1 309.131 3.845 20 30 DHEDMN CC(C)(C)c1ncc(C=NNc2cc(C#N)cc(Cl)n2)s1 ZINC000768381662 1022961701 /nfs/dbraw/zinc/96/17/01/1022961701.db2.gz KRCXUCUJAAHVEJ-UHFFFAOYSA-N 0 1 319.821 3.807 20 30 DHEDMN Cc1ccc(NC(=O)C[C@H](C)NCC2(C#N)CCC2)c(Cl)c1 ZINC000418144274 1022969236 /nfs/dbraw/zinc/96/92/36/1022969236.db2.gz SIIFBRLDIJQMHM-ZDUSSCGKSA-N 0 1 319.836 3.649 20 30 DHEDMN Cn1c2ccccc2nc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000418136124 1022970181 /nfs/dbraw/zinc/97/01/81/1022970181.db2.gz ABHNPAVXLVXMCK-KRWDZBQOSA-N 0 1 316.408 3.612 20 30 DHEDMN CC(C)(C#N)CCCCOC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000768552046 1022988987 /nfs/dbraw/zinc/98/89/87/1022988987.db2.gz BZPSCUJGMMZQBF-UHFFFAOYSA-N 0 1 301.346 3.547 20 30 DHEDMN C[C@@H](Cc1ccc(C#N)cc1)NCc1c(Cl)cncc1Cl ZINC001172298733 1033104037 /nfs/dbraw/zinc/10/40/37/1033104037.db2.gz CXGXZRQPVCHFAA-NSHDSACASA-N 0 1 320.223 3.981 20 30 DHEDMN CC(C)COCCC(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000076365718 1023094513 /nfs/dbraw/zinc/09/45/13/1023094513.db2.gz ZGTVQEBEZSVAPM-UHFFFAOYSA-N 0 1 322.796 3.776 20 30 DHEDMN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)[C@H]1CC12CCC2 ZINC000759835695 1023104772 /nfs/dbraw/zinc/10/47/72/1023104772.db2.gz SUVHQEMTZWYPEJ-HZPDHXFCSA-N 0 1 324.424 3.649 20 30 DHEDMN C=CCN(CCCOCC(F)(F)F)Cc1ccccc1F ZINC000053702600 1023172461 /nfs/dbraw/zinc/17/24/61/1023172461.db2.gz LCSBYLQKLZVQSI-UHFFFAOYSA-N 0 1 305.315 3.783 20 30 DHEDMN CC(=[NH+][N-]c1nncc2ccccc21)c1ccccc1N(C)C ZINC000769567693 1023180744 /nfs/dbraw/zinc/18/07/44/1023180744.db2.gz UJVZPJKEHKUQDR-UHFFFAOYSA-N 0 1 305.385 3.532 20 30 DHEDMN COc1ccsc1C(C)=N[N-]c1[nH]c2cc(F)c(F)cc2[nH+]1 ZINC000769775218 1023203757 /nfs/dbraw/zinc/20/37/57/1023203757.db2.gz QWUZGNNGVAYPLP-UHFFFAOYSA-N 0 1 322.340 3.747 20 30 DHEDMN N#Cc1ccc(CNN=Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000769820517 1023210520 /nfs/dbraw/zinc/21/05/20/1023210520.db2.gz GMCHVQHHKYDKOV-UHFFFAOYSA-N 0 1 318.424 3.672 20 30 DHEDMN Cc1cccc(F)c1N=NC(C)c1ccc([S@@](C)=O)cc1 ZINC000769842094 1023228058 /nfs/dbraw/zinc/22/80/58/1023228058.db2.gz YTCWMRPADRJRLM-OAQYLSRUSA-N 0 1 304.390 3.708 20 30 DHEDMN CCc1nn(C)cc1C=NN=c1cc(C)c2ccc(C)c(C)c2[nH]1 ZINC000770595382 1023328679 /nfs/dbraw/zinc/32/86/79/1023328679.db2.gz DQIIJJGNOMLHMZ-UHFFFAOYSA-N 0 1 321.428 3.902 20 30 DHEDMN Cc1cc2occ(C(=O)Nc3cc(C#N)ccc3O)c2cc1C ZINC000771438481 1023437623 /nfs/dbraw/zinc/43/76/23/1023437623.db2.gz UJXORYGDVRBIDY-UHFFFAOYSA-N 0 1 306.321 3.879 20 30 DHEDMN C=CC[N@@H+](Cc1csc(Br)c1)[C@@H](C)COC ZINC000661242890 1023536503 /nfs/dbraw/zinc/53/65/03/1023536503.db2.gz GTBPDAFKBRCNIS-JTQLQIEISA-N 0 1 304.253 3.534 20 30 DHEDMN C=CCN(Cc1csc(Br)c1)[C@@H](C)COC ZINC000661242890 1023536506 /nfs/dbraw/zinc/53/65/06/1023536506.db2.gz GTBPDAFKBRCNIS-JTQLQIEISA-N 0 1 304.253 3.534 20 30 DHEDMN C=CC[C@@H]1CCCN(Cc2nc(-c3ccc(F)cc3)no2)C1 ZINC000661377762 1023583625 /nfs/dbraw/zinc/58/36/25/1023583625.db2.gz UDJONXCSFJPSHO-CYBMUJFWSA-N 0 1 301.365 3.664 20 30 DHEDMN C=C[C@](C)(CC)C(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000785591629 1023591592 /nfs/dbraw/zinc/59/15/92/1023591592.db2.gz FHKKGBUUZPCLRA-QLJPJBMISA-N 0 1 305.809 3.996 20 30 DHEDMN C=CCCCCCN1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000785714037 1023612286 /nfs/dbraw/zinc/61/22/86/1023612286.db2.gz VABKCHWFISEULT-RTBURBONSA-N 0 1 303.446 3.557 20 30 DHEDMN C=CCCC[C@H](C(=O)N1CCN(CC)[C@@H](C)C1)c1ccccc1 ZINC001137569134 1023659697 /nfs/dbraw/zinc/65/96/97/1023659697.db2.gz RRHYMPIGPFGTHG-HKUYNNGSSA-N 0 1 314.473 3.679 20 30 DHEDMN C=CCOCc1ncn2c1CN([C@@H]1CC[C@@H](C)[C@H](C)C1)CCC2 ZINC001172370922 1033151702 /nfs/dbraw/zinc/15/17/02/1033151702.db2.gz COQNCLFQFDBTEN-BRWVUGGUSA-N 0 1 317.477 3.616 20 30 DHEDMN C=CCOCc1ncn2c1CN([C@@H]1CC[C@H](C)[C@H](C)C1)CCC2 ZINC001172370923 1033152060 /nfs/dbraw/zinc/15/20/60/1033152060.db2.gz COQNCLFQFDBTEN-GVDBMIGSSA-N 0 1 317.477 3.616 20 30 DHEDMN C=CCC1(NCc2nc(Cc3cccc(F)c3)no2)CCCC1 ZINC000661849903 1023779023 /nfs/dbraw/zinc/77/90/23/1023779023.db2.gz CTYKSBZOULOMQE-UHFFFAOYSA-N 0 1 315.392 3.778 20 30 DHEDMN C=CCC1(NCc2nc(Cc3ccccc3C)no2)CCCC1 ZINC000661867776 1023787336 /nfs/dbraw/zinc/78/73/36/1023787336.db2.gz YRMRBAVZWRKZKO-UHFFFAOYSA-N 0 1 311.429 3.947 20 30 DHEDMN CC(C)(CC(=O)[C@H](C#N)C(=O)NC1CCCC1)C1CCCCC1 ZINC000796651792 1023796650 /nfs/dbraw/zinc/79/66/50/1023796650.db2.gz SPWYQGFWJYIKFF-INIZCTEOSA-N 0 1 318.461 3.751 20 30 DHEDMN COc1ccc(CNCc2cccc3c2OC(C)(C)C3)cc1C#N ZINC000746743057 1023872848 /nfs/dbraw/zinc/87/28/48/1023872848.db2.gz VKATYFODETUSBK-UHFFFAOYSA-N 0 1 322.408 3.570 20 30 DHEDMN C=CCC[C@@H](NC(=O)[C@@H]1CCCc2[nH]ncc21)c1ccccc1 ZINC000133956968 1033171011 /nfs/dbraw/zinc/17/10/11/1033171011.db2.gz MLUXTRXDMOTNIH-NVXWUHKLSA-N 0 1 309.413 3.653 20 30 DHEDMN C=CCSc1ccccc1NC(=O)CN(C)CCC(C)C ZINC000613878273 1023985739 /nfs/dbraw/zinc/98/57/39/1023985739.db2.gz RWZLUBQBXHRABX-UHFFFAOYSA-N 0 1 306.475 3.881 20 30 DHEDMN CN(Cc1ccc(C#N)cc1F)[C@H]1CCCN(c2ccccc2)C1 ZINC000531143320 1024035037 /nfs/dbraw/zinc/03/50/37/1024035037.db2.gz SZJFLJXKJQRKNC-IBGZPJMESA-N 0 1 323.415 3.798 20 30 DHEDMN Cc1nc2sccn2c1CN(C)[C@H](C)c1ccc(C#N)cc1 ZINC000268457423 1024115221 /nfs/dbraw/zinc/11/52/21/1024115221.db2.gz CPJHXZUXCYWXPV-CYBMUJFWSA-N 0 1 310.426 3.769 20 30 DHEDMN C[C@H](NCc1c[nH]c(-c2ccccc2)n1)c1ccc(C#N)cc1 ZINC000531488943 1024174372 /nfs/dbraw/zinc/17/43/72/1024174372.db2.gz UYRPQRMAGSHITQ-AWEZNQCLSA-N 0 1 302.381 3.799 20 30 DHEDMN C#CCOc1ccc([C@@H](C)NCc2cn3ccc(C)cc3n2)cc1 ZINC000268901282 1024192084 /nfs/dbraw/zinc/19/20/84/1024192084.db2.gz MEWXVIJICYOROO-MRXNPFEDSA-N 0 1 319.408 3.506 20 30 DHEDMN Cc1cccnc1NN=Cc1cccc(OCc2ccccn2)c1 ZINC000790189557 1024239470 /nfs/dbraw/zinc/23/94/70/1024239470.db2.gz AVWLGRLCQFSKBW-UHFFFAOYSA-N 0 1 318.380 3.810 20 30 DHEDMN CC(=NNc1ncccc1C)c1ccccc1Br ZINC000790193540 1024242141 /nfs/dbraw/zinc/24/21/41/1024242141.db2.gz HFTCXIWBVNUYBO-UHFFFAOYSA-N 0 1 304.191 3.989 20 30 DHEDMN N#Cc1cnc(Cl)c(CNCc2cc3c(s2)CCCC3)c1 ZINC000876985418 1033197937 /nfs/dbraw/zinc/19/79/37/1033197937.db2.gz ZSZLBMNRFOBVBM-UHFFFAOYSA-N 0 1 317.845 3.837 20 30 DHEDMN C=CCC[C@H](NCc1cscn1)[C@@H]1Cc2ccccc2O1 ZINC000883183191 1024270350 /nfs/dbraw/zinc/27/03/50/1024270350.db2.gz VGQZVFPMCFAHCX-RDJZCZTQSA-N 0 1 300.427 3.571 20 30 DHEDMN C=CCC[C@@H](NCc1cc(COC(C)(C)C)on1)[C@@H]1CCCO1 ZINC000883217100 1024293895 /nfs/dbraw/zinc/29/38/95/1024293895.db2.gz BOIPPWUYNDKXJB-SJORKVTESA-N 0 1 322.449 3.593 20 30 DHEDMN C=CCOCCCC(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000269614928 1024297142 /nfs/dbraw/zinc/29/71/42/1024297142.db2.gz ZUBZDCDYWWENIL-UHFFFAOYSA-N 0 1 316.445 3.580 20 30 DHEDMN C=CCC[C@H](COc1ccccc1)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000883227140 1024302620 /nfs/dbraw/zinc/30/26/20/1024302620.db2.gz LUVFWSCLKSROHB-JFIYKMOQSA-N 0 1 311.429 3.892 20 30 DHEDMN C=C(C)[C@@H](CC(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C)OCC ZINC000270072486 1024347804 /nfs/dbraw/zinc/34/78/04/1024347804.db2.gz BSEMZGINPODMAO-CQSZACIVSA-N 0 1 317.389 3.596 20 30 DHEDMN C#CC[C@@H](NCc1ccc(N2CCCC2)nc1)c1ccccc1 ZINC000270146526 1024354385 /nfs/dbraw/zinc/35/43/85/1024354385.db2.gz BUGXXBJVEBJSSW-LJQANCHMSA-N 0 1 305.425 3.536 20 30 DHEDMN N#CC(C(=O)Cc1coc2ccccc12)c1nc2ccccc2[nH]1 ZINC000796737853 1024372240 /nfs/dbraw/zinc/37/22/40/1024372240.db2.gz DLERCIUPXANCLI-CQSZACIVSA-N 0 1 315.332 3.728 20 30 DHEDMN C=C(CNCc1cnc([C@H]2CCCO2)s1)c1ccccc1 ZINC000270279284 1024373154 /nfs/dbraw/zinc/37/31/54/1024373154.db2.gz XNSKMRKGCAYPMD-MRXNPFEDSA-N 0 1 300.427 3.798 20 30 DHEDMN CCN(Cc1cc(OC)cc(C)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000270356597 1024382019 /nfs/dbraw/zinc/38/20/19/1024382019.db2.gz XEMAOVOQAPRSJK-HNNXBMFYSA-N 0 1 309.413 3.853 20 30 DHEDMN C=C(C)C[C@@H](CO)NCc1csc(-c2ccc(Cl)cc2)n1 ZINC000883401595 1024429325 /nfs/dbraw/zinc/42/93/25/1024429325.db2.gz RLCMKGCWHIASJB-AWEZNQCLSA-N 0 1 322.861 3.880 20 30 DHEDMN Cc1nn(C(C)(C)C)c(C)c1CN(C)Cc1ccc(C#N)cc1 ZINC000271057459 1024451979 /nfs/dbraw/zinc/45/19/79/1024451979.db2.gz ULKCHNNKNLWPTL-UHFFFAOYSA-N 0 1 310.445 3.759 20 30 DHEDMN C[N@H+]1CC[C@H](Nc2snc(Cl)c2C#N)[C@H]1c1ccccc1 ZINC000271312102 1024486984 /nfs/dbraw/zinc/48/69/84/1024486984.db2.gz IVGCSKIUPLVNQZ-QWHCGFSZSA-N 0 1 318.833 3.525 20 30 DHEDMN CN1CC[C@H](Nc2snc(Cl)c2C#N)[C@H]1c1ccccc1 ZINC000271312102 1024486989 /nfs/dbraw/zinc/48/69/89/1024486989.db2.gz IVGCSKIUPLVNQZ-QWHCGFSZSA-N 0 1 318.833 3.525 20 30 DHEDMN N#Cc1ccccc1CN1CCC2(CC1)OCCc1ccccc12 ZINC000453574405 1024540140 /nfs/dbraw/zinc/54/01/40/1024540140.db2.gz JEYAGNNFLDWORW-UHFFFAOYSA-N 0 1 318.420 3.622 20 30 DHEDMN C=CCC[C@H](C)OC(=O)c1[nH]c(-c2cccc(OC)c2)nc1C ZINC000772781295 1024552949 /nfs/dbraw/zinc/55/29/49/1024552949.db2.gz GXMUNLOZJUWSKN-LBPRGKRZSA-N 0 1 314.385 3.905 20 30 DHEDMN CC(C)c1csc(C(C#N)C(=O)c2cncc(Cl)c2)n1 ZINC000453703766 1024571260 /nfs/dbraw/zinc/57/12/60/1024571260.db2.gz ZYPPXQBJHIJTTF-LLVKDONJSA-N 0 1 305.790 3.805 20 30 DHEDMN N#C[C@H](C(=O)CSc1ccncc1)c1nccc2ccccc21 ZINC000792104613 1024626304 /nfs/dbraw/zinc/62/63/04/1024626304.db2.gz QFMFHZUBSPZIFG-MRXNPFEDSA-N 0 1 319.389 3.598 20 30 DHEDMN CCCO[C@H]1CCCN(Cc2cn3ccccc3c2C#N)CC1 ZINC000108394236 1024639855 /nfs/dbraw/zinc/63/98/55/1024639855.db2.gz MQQZBEYYYCGCKL-KRWDZBQOSA-N 0 1 311.429 3.592 20 30 DHEDMN C[C@@H](CCCC#N)N1CC2(C1)CCCCN2C(=O)OC(C)(C)C ZINC001172499400 1033228196 /nfs/dbraw/zinc/22/81/96/1033228196.db2.gz DANLOMLMCKUCDR-HNNXBMFYSA-N 0 1 321.465 3.544 20 30 DHEDMN C[C@@H]1C[C@@H](C)[C@H](C)N(CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000475727705 1024684439 /nfs/dbraw/zinc/68/44/39/1024684439.db2.gz PGYKFZKSPMDRGL-UPJWGTAASA-N 0 1 319.836 3.517 20 30 DHEDMN CCOc1cccc(C(=O)/C=C/c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000772805434 1024711585 /nfs/dbraw/zinc/71/15/85/1024711585.db2.gz HBDBWUSMOJXKMM-RMKNXTFCSA-N 0 1 313.309 3.595 20 30 DHEDMN O=C(/C=C\c1cc(O)ccc1[N+](=O)[O-])c1ccccc1Cl ZINC000772804833 1024720972 /nfs/dbraw/zinc/72/09/72/1024720972.db2.gz YWHJLELPWUZJLQ-YVMONPNESA-N 0 1 303.701 3.850 20 30 DHEDMN Cn1cc(C(=O)/C=C/c2cc(O)ccc2[N+](=O)[O-])c2ccccc21 ZINC000772806054 1024724133 /nfs/dbraw/zinc/72/41/33/1024724133.db2.gz KCTYCCNLLMHTRP-RMKNXTFCSA-N 0 1 322.320 3.688 20 30 DHEDMN CC1(C)CN(C2CCC(C#N)(c3ccccc3)CC2)CCC1=O ZINC001170389259 1024760829 /nfs/dbraw/zinc/76/08/29/1024760829.db2.gz OUGXZAIFAOURIR-UHFFFAOYSA-N 0 1 310.441 3.692 20 30 DHEDMN Cc1ccc(C)c(NC(=O)[C@H](C)N[C@H](C)c2ccc(C#N)cc2)c1 ZINC000127525328 1024765322 /nfs/dbraw/zinc/76/53/22/1024765322.db2.gz PJSHFOBHHLMRCE-CVEARBPZSA-N 0 1 321.424 3.853 20 30 DHEDMN Cc1cccc(C)c1NC(=O)[C@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000127558294 1024814818 /nfs/dbraw/zinc/81/48/18/1024814818.db2.gz JYWMOBFGZNWKHV-CVEARBPZSA-N 0 1 321.424 3.853 20 30 DHEDMN Cc1oc(C)c(C(=O)C(C#N)c2nc3ccccc3n2C)c1C ZINC000122145017 1024897284 /nfs/dbraw/zinc/89/72/84/1024897284.db2.gz GVLGCYUAZPJFFR-CYBMUJFWSA-N 0 1 307.353 3.582 20 30 DHEDMN C[C@H]1CCCCN1c1cccc(NCC#Cc2ccccc2)n1 ZINC001170426558 1024911140 /nfs/dbraw/zinc/91/11/40/1024911140.db2.gz XMRYGSSLQFSPPB-KRWDZBQOSA-N 0 1 305.425 3.924 20 30 DHEDMN COc1cc2c(cc1C=NNc1cccc(Cl)n1)O[C@@H](C)C2 ZINC000793181062 1024928326 /nfs/dbraw/zinc/92/83/26/1024928326.db2.gz HWNYFSDITCIRLF-JTQLQIEISA-N 0 1 317.776 3.513 20 30 DHEDMN CCCCn1cc(CN[C@H]2CCc3ccc(C#N)cc32)c(C)n1 ZINC000353250067 1025001554 /nfs/dbraw/zinc/00/15/54/1025001554.db2.gz FDGWJEVKWOQYFP-IBGZPJMESA-N 0 1 308.429 3.640 20 30 DHEDMN CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C1CCCCC1 ZINC000125002011 1025096770 /nfs/dbraw/zinc/09/67/70/1025096770.db2.gz RFUHMUDDPIWYCV-UHFFFAOYSA-N 0 1 319.836 3.805 20 30 DHEDMN C=C(Br)CNCc1ccc2cc(OC)ccc2c1 ZINC000134402906 1025111679 /nfs/dbraw/zinc/11/16/79/1025111679.db2.gz JFFKRSXHNLVYEH-UHFFFAOYSA-N 0 1 306.203 3.847 20 30 DHEDMN CCOC(=O)c1ccc(C#N)c(-c2ccc(Cl)c(O)c2)c1 ZINC001243581856 1025178726 /nfs/dbraw/zinc/17/87/26/1025178726.db2.gz VIMSHDFYOIXMSN-UHFFFAOYSA-N 0 1 301.729 3.761 20 30 DHEDMN Cc1nc2ccccc2n1C1CCN(Cc2ccc(C#N)o2)CC1 ZINC000279799403 1025265937 /nfs/dbraw/zinc/26/59/37/1025265937.db2.gz NHHDHFFTAMJMOM-UHFFFAOYSA-N 0 1 320.396 3.647 20 30 DHEDMN COc1cc(C)nc(CN[C@@H](CCCC#N)c2ccccc2)c1 ZINC000353912776 1025287316 /nfs/dbraw/zinc/28/73/16/1025287316.db2.gz GKMHQXSXFXVRKN-IBGZPJMESA-N 0 1 309.413 3.923 20 30 DHEDMN Cc1ccc2nc(C)c(C(=O)C(C#N)c3ccccn3)cc2c1 ZINC000041492321 1025405130 /nfs/dbraw/zinc/40/51/30/1025405130.db2.gz QBJXHUXPDAMXEE-MRXNPFEDSA-N 0 1 301.349 3.737 20 30 DHEDMN Cc1ccc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)s1 ZINC000041555621 1025410483 /nfs/dbraw/zinc/41/04/83/1025410483.db2.gz SCYOSIWLPFFDPK-SNVBAGLBSA-N 0 1 310.300 3.960 20 30 DHEDMN C=CC[C@@H](NCc1ccc(OC)c(OC)c1F)c1ccncc1 ZINC000885988865 1025428899 /nfs/dbraw/zinc/42/88/99/1025428899.db2.gz QKOPNXGIORHNDW-OAHLLOKOSA-N 0 1 316.376 3.645 20 30 DHEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3cccc(C(C)C)n3)[nH]c21 ZINC000354589406 1025461570 /nfs/dbraw/zinc/46/15/70/1025461570.db2.gz YKDCAHJXPIXOMF-CYBMUJFWSA-N 0 1 318.380 3.880 20 30 DHEDMN C=CCCCCCCNC(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000805168128 1025546208 /nfs/dbraw/zinc/54/62/08/1025546208.db2.gz VBFWGENJDMYGSE-UHFFFAOYSA-N 0 1 314.433 3.807 20 30 DHEDMN C[C@H](C#N)Oc1ccc(CNCc2cscc2Cl)cc1 ZINC000886198974 1025555423 /nfs/dbraw/zinc/55/54/23/1025555423.db2.gz GNGDCYZPJWEDSU-LLVKDONJSA-N 0 1 306.818 3.982 20 30 DHEDMN COc1ccc(C)cc1CNCc1ccc(SC)c(C#N)c1 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C=CCCCN(C)Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000533297883 1030258863 /nfs/dbraw/zinc/25/88/63/1030258863.db2.gz KPIGIGSTQXLAND-UHFFFAOYSA-N 0 1 313.420 3.898 20 30 DHEDMN C#CCOc1ccccc1CN[C@H](c1ccccn1)C1CCC1 ZINC000925420123 1030359417 /nfs/dbraw/zinc/35/94/17/1030359417.db2.gz ICPRBIASTDURIC-FQEVSTJZSA-N 0 1 306.409 3.725 20 30 DHEDMN C=CCOc1ccccc1CNC(=O)c1ccc(Cl)c(O)c1 ZINC001136808428 1030444839 /nfs/dbraw/zinc/44/48/39/1030444839.db2.gz GJXFTVUKWGYIOW-UHFFFAOYSA-N 0 1 317.772 3.540 20 30 DHEDMN c1ccc(-c2nc3c(s2)C(=NNc2cncnc2)CCC3)cc1 ZINC000794978339 1030507049 /nfs/dbraw/zinc/50/70/49/1030507049.db2.gz LNFWWXKQGBHQOQ-UHFFFAOYSA-N 0 1 321.409 3.753 20 30 DHEDMN N#CCC[C@H](C#N)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000066399032 1030511634 /nfs/dbraw/zinc/51/16/34/1030511634.db2.gz XVRJEVOLPAJJPG-SNVBAGLBSA-N 0 1 317.805 3.661 20 30 DHEDMN C[C@@H](NCc1ccc(N2CCCC2)nc1)c1ccc(C#N)cc1F ZINC000358567088 1030540750 /nfs/dbraw/zinc/54/07/50/1030540750.db2.gz JCQHJEKLFRRPBF-CQSZACIVSA-N 0 1 324.403 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Cc1cccc(CC(=O)C(C#N)=C(O)C2(c3ccccc3)CC2)c1 ZINC000845839259 1031736056 /nfs/dbraw/zinc/73/60/56/1031736056.db2.gz SVPHJZFICOLPDB-SFHVURJKSA-N 0 1 317.388 3.547 20 30 DHEDMN N#CC(C(=O)CCC1CCCC1)=C(O)C1(c2ccccc2)CC1 ZINC000845837197 1031736428 /nfs/dbraw/zinc/73/64/28/1031736428.db2.gz OJNAIEUHFQETPP-QGZVFWFLSA-N 0 1 309.409 3.967 20 30 DHEDMN N#CC(C(=O)C[C@@H]1C=CCCC1)=C(O)C1(c2ccccc2)CC1 ZINC000845841357 1031739845 /nfs/dbraw/zinc/73/98/45/1031739845.db2.gz ABFDMIJWEBBJQX-NVXWUHKLSA-N 0 1 307.393 3.743 20 30 DHEDMN C[C@@H](C(=O)C(C#N)=C(O)C1(c2ccccc2)CC1)C1CCCC1 ZINC000845840529 1031740463 /nfs/dbraw/zinc/74/04/63/1031740463.db2.gz DJLCHCJOKHXSPQ-PBHICJAKSA-N 0 1 309.409 3.822 20 30 DHEDMN CSCCCCC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845841461 1031740576 /nfs/dbraw/zinc/74/05/76/1031740576.db2.gz NKODBJKOBOXCFF-OAHLLOKOSA-N 0 1 315.438 3.529 20 30 DHEDMN C[C@@H](Cc1ccc(F)cc1Cl)NCc1nc(C#N)cs1 ZINC000897629612 1031756538 /nfs/dbraw/zinc/75/65/38/1031756538.db2.gz MQJGFLAFIWAHTE-VIFPVBQESA-N 0 1 309.797 3.528 20 30 DHEDMN N#Cc1ccc(C2CCN(Cc3ncn4ccccc34)CC2)cc1 ZINC001144625931 1031763576 /nfs/dbraw/zinc/76/35/76/1031763576.db2.gz WLJMCUDTNDUFON-UHFFFAOYSA-N 0 1 316.408 3.586 20 30 DHEDMN C(#CC1CCN(Cc2ncn3ccccc23)CC1)c1ccccc1 ZINC001144627445 1031778651 /nfs/dbraw/zinc/77/86/51/1031778651.db2.gz PBIIHYYXMQMYKU-UHFFFAOYSA-N 0 1 315.420 3.598 20 30 DHEDMN COc1cc(C=NNc2cc(Cl)ccn2)cc(Cl)c1O ZINC000777913592 1031819145 /nfs/dbraw/zinc/81/91/45/1031819145.db2.gz NRAZMHKVAJZYEK-UHFFFAOYSA-N 0 1 312.156 3.549 20 30 DHEDMN Cc1cc(C(C#N)C(=O)c2sccc2C(F)F)nc(C)n1 ZINC000873496763 1031847714 /nfs/dbraw/zinc/84/77/14/1031847714.db2.gz CIHXFZCOGPZUOZ-JTQLQIEISA-N 0 1 307.325 3.583 20 30 DHEDMN Cc1cc([C@H](C#N)C(=O)c2sccc2C(F)F)nc(C)n1 ZINC000873496763 1031847728 /nfs/dbraw/zinc/84/77/28/1031847728.db2.gz CIHXFZCOGPZUOZ-JTQLQIEISA-N 0 1 307.325 3.583 20 30 DHEDMN CCn1ccc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)c1C ZINC000873509023 1031852302 /nfs/dbraw/zinc/85/23/02/1031852302.db2.gz NLGPINLDNRDFGE-CYBMUJFWSA-N 0 1 301.415 3.886 20 30 DHEDMN CCn1ccc(C(=O)C(C#N)c2nc(C(C)C)cs2)c1C ZINC000873509023 1031852309 /nfs/dbraw/zinc/85/23/09/1031852309.db2.gz NLGPINLDNRDFGE-CYBMUJFWSA-N 0 1 301.415 3.886 20 30 DHEDMN C[C@@H](NCc1cccc(OCCCC#N)c1)c1cncs1 ZINC000897935660 1031888674 /nfs/dbraw/zinc/88/86/74/1031888674.db2.gz YBCSNHMVFJEQQO-CYBMUJFWSA-N 0 1 301.415 3.676 20 30 DHEDMN CN(CCCCC1(C#N)CCC1)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000930679371 1031917087 /nfs/dbraw/zinc/91/70/87/1031917087.db2.gz UNIROBJSASVDTK-QGZVFWFLSA-N 0 1 323.444 3.690 20 30 DHEDMN N#Cc1cc(Cl)cc(CN2CCC([C@H]3CCCCO3)CC2)c1 ZINC000931026593 1032012746 /nfs/dbraw/zinc/01/27/46/1032012746.db2.gz YNDFAQIQCJFXCZ-GOSISDBHSA-N 0 1 318.848 3.993 20 30 DHEDMN COc1ccccc1[C@@H](C)N(C)Cc1ccc(OCC#N)cc1 ZINC001137120603 1033314709 /nfs/dbraw/zinc/31/47/09/1033314709.db2.gz VXSAJJYFIJZVNM-OAHLLOKOSA-N 0 1 310.397 3.791 20 30 DHEDMN CCCC[C@@H](CC)CC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000117532122 1033395142 /nfs/dbraw/zinc/39/51/42/1033395142.db2.gz VLPAWQQAOJVJJS-NVXWUHKLSA-N 0 1 314.429 3.618 20 30 DHEDMN Cc1cccc2nc([C@@H](C#N)C(=O)C[C@@H](C)C(F)(F)F)[nH]c21 ZINC000860557075 1033412449 /nfs/dbraw/zinc/41/24/49/1033412449.db2.gz TZZBCZGRBMJERC-ZJUUUORDSA-N 0 1 309.291 3.636 20 30 DHEDMN CC(C)(C)c1[nH]n(CCSC(F)(F)F)c(=O)c1CCC#N ZINC000877879239 1033498280 /nfs/dbraw/zinc/49/82/80/1033498280.db2.gz UOOFIBBXEGMKLF-UHFFFAOYSA-N 0 1 321.368 3.595 20 30 DHEDMN N#CC(C(=O)[C@@H]1CCCC12CC2)=C(O)C1(c2ccccc2)CC1 ZINC000860854438 1033512038 /nfs/dbraw/zinc/51/20/38/1033512038.db2.gz ZZNBVLWULIRGEL-HOTGVXAUSA-N 0 1 307.393 3.576 20 30 DHEDMN C=CC(C)(C)CC(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000877932634 1033521722 /nfs/dbraw/zinc/52/17/22/1033521722.db2.gz ITLJYQULTCHNAK-HNNXBMFYSA-N 0 1 304.434 3.525 20 30 DHEDMN N#CCC1CCC([NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC001173333351 1033692524 /nfs/dbraw/zinc/69/25/24/1033692524.db2.gz HPUOJDKESLYBNF-UHFFFAOYSA-N 0 1 323.234 3.717 20 30 DHEDMN N#CCC1CCC(N2CCc3nn(-c4ccccc4)cc3C2)CC1 ZINC001173337867 1033694379 /nfs/dbraw/zinc/69/43/79/1033694379.db2.gz UUXADFQWIKZSDO-UHFFFAOYSA-N 0 1 320.440 3.703 20 30 DHEDMN CCOC(=O)C[C@H]1CC[C@H](N(CCC#N)Cc2ccccc2)C1 ZINC001173635530 1033802749 /nfs/dbraw/zinc/80/27/49/1033802749.db2.gz AWRRDQMWHJOVQO-ROUUACIJSA-N 0 1 314.429 3.524 20 30 DHEDMN C#CC[C@@H]1CCN(Cc2cc3cnn(C(C)C)c3nc2Cl)C1 ZINC000862443349 1033856130 /nfs/dbraw/zinc/85/61/30/1033856130.db2.gz ONOAATVWRVTBAH-CYBMUJFWSA-N 0 1 316.836 3.511 20 30 DHEDMN COC[C@@H](C)N(Cc1ccc(C#N)o1)[C@H]1CCc2ccccc21 ZINC000879064689 1033910618 /nfs/dbraw/zinc/91/06/18/1033910618.db2.gz MISKLKIKHINXAP-KUHUBIRLSA-N 0 1 310.397 3.676 20 30 DHEDMN C[C@@H](NCc1ccc(C#N)o1)c1ccc(OCC(F)(F)F)cc1 ZINC000174306043 1033921491 /nfs/dbraw/zinc/92/14/91/1033921491.db2.gz RALRVEDPZJYWPH-LLVKDONJSA-N 0 1 324.302 3.943 20 30 DHEDMN Cc1cc(F)ccc1Nc1sc2c(c1C#N)CCN(C)C2 ZINC001173966232 1033986502 /nfs/dbraw/zinc/98/65/02/1033986502.db2.gz 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ZINC000595343647 1040102799 /nfs/dbraw/zinc/10/27/99/1040102799.db2.gz HKBFQOCBYWLDKU-KDOFPFPSSA-N 0 1 312.438 3.624 20 30 DHEDMN C[C@H]1CO[C@@H](c2ccccc2)CN1CCc1ccc(C#N)cc1 ZINC000595305718 1040105360 /nfs/dbraw/zinc/10/53/60/1040105360.db2.gz JJGGJHCUOBUPEP-OXJNMPFZSA-N 0 1 306.409 3.563 20 30 DHEDMN CCCN(Cc1ccccc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000592996826 1040123901 /nfs/dbraw/zinc/12/39/01/1040123901.db2.gz BOITWYHNJJADGV-UHFFFAOYSA-N 0 1 309.369 3.879 20 30 DHEDMN CN(CCC1(C#N)CCCCC1)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000595524024 1040159508 /nfs/dbraw/zinc/15/95/08/1040159508.db2.gz PIQTVHKVJYOFDA-KRWDZBQOSA-N 0 1 323.444 3.690 20 30 DHEDMN COc1cccc([C@@H]2C[C@@H](C)CN2Cc2cc(C#N)ccn2)c1 ZINC001168423209 1040193032 /nfs/dbraw/zinc/19/30/32/1040193032.db2.gz DYHPDPFBCVWHHW-KUHUBIRLSA-N 0 1 307.397 3.545 20 30 DHEDMN CCOc1ccc(CN2CCC[C@H](CC#N)C2)cc1OCC ZINC000595610463 1040206100 /nfs/dbraw/zinc/20/61/00/1040206100.db2.gz ZDJISOADEDBKRH-OAHLLOKOSA-N 0 1 302.418 3.610 20 30 DHEDMN 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311.470 3.551 20 30 DHEDMN COc1ccccc1CN(C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596977117 1040614711 /nfs/dbraw/zinc/61/47/11/1040614711.db2.gz FSLRYMRLEKAUKD-UHFFFAOYSA-N 0 1 306.409 3.882 20 30 DHEDMN C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)CCCCC#N ZINC000597726385 1040879398 /nfs/dbraw/zinc/87/93/98/1040879398.db2.gz UFCCOYJZVBNZSB-LLVKDONJSA-N 0 1 318.808 3.820 20 30 DHEDMN N#Cc1cccc(CN2CCC(CCc3ccc(O)cc3)CC2)n1 ZINC000602436684 1041031397 /nfs/dbraw/zinc/03/13/97/1041031397.db2.gz YTECWCXGBNABRC-UHFFFAOYSA-N 0 1 321.424 3.504 20 30 DHEDMN CCOc1ccc([C@H]2CCCN2Cc2cccc(C#N)n2)cc1 ZINC000602434826 1041033306 /nfs/dbraw/zinc/03/33/06/1041033306.db2.gz FNHDHHWYQGPCMA-LJQANCHMSA-N 0 1 307.397 3.689 20 30 DHEDMN CCCN(Cc1ccc(C#N)cc1)[C@H](c1nccn1C)C1CC1 ZINC000602443205 1041036726 /nfs/dbraw/zinc/03/67/26/1041036726.db2.gz HOSLAUWAPHKAKJ-SFHVURJKSA-N 0 1 308.429 3.655 20 30 DHEDMN COc1ccc(C#N)cc1CN(C)Cc1cc(C)c(OC)c(C)c1 ZINC000446841926 1041075236 /nfs/dbraw/zinc/07/52/36/1041075236.db2.gz CAFSBOSSPOCZMH-UHFFFAOYSA-N 0 1 324.424 3.824 20 30 DHEDMN CC1(C)CC(=NOCC(F)(F)F)CN1Cc1ccccc1 ZINC000761267569 1041125211 /nfs/dbraw/zinc/12/52/11/1041125211.db2.gz SRSMWVIHSVWEBV-UHFFFAOYSA-N 0 1 300.324 3.606 20 30 DHEDMN C[C@@H](CCC#N)CN1CCc2ccc(Br)cc2C1 ZINC000602655780 1041144780 /nfs/dbraw/zinc/14/47/80/1041144780.db2.gz VOPANJZXOXPNGU-LBPRGKRZSA-N 0 1 307.235 3.747 20 30 DHEDMN N#CCC1(CN2CC[C@@H](c3cccc(Br)c3)C2)CC1 ZINC000602838291 1041253182 /nfs/dbraw/zinc/25/31/82/1041253182.db2.gz BCTIXPUJMTXUNS-CQSZACIVSA-N 0 1 319.246 3.932 20 30 DHEDMN C[C@@H](CC#N)NCCC(=O)Nc1ccccc1-c1ccccc1 ZINC000602868650 1041274065 /nfs/dbraw/zinc/27/40/65/1041274065.db2.gz JXXUPOHONCGLKR-HNNXBMFYSA-N 0 1 307.397 3.574 20 30 DHEDMN CN(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)[C@H]1CC[C@H](C#N)C1 ZINC000602893698 1041297009 /nfs/dbraw/zinc/29/70/09/1041297009.db2.gz SIJRBDWWPNMVQT-JQWIXIFHSA-N 0 1 322.334 3.706 20 30 DHEDMN CN(Cc1ccc(Br)cc1F)[C@H]1CC[C@H](C#N)C1 ZINC000602926395 1041306748 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Cc1nn(C(C)(C)C)cc1[C@@H](C)NCc1cc(C#N)cs1 ZINC000131161418 337436568 /nfs/dbraw/zinc/43/65/68/337436568.db2.gz PRTBYCSEMTYNBY-LLVKDONJSA-N 0 1 302.447 3.731 20 30 DHEDMN COc1ccc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)c(OC)c1 ZINC000319949372 337585233 /nfs/dbraw/zinc/58/52/33/337585233.db2.gz UEHPIRYLWFWXDB-KBPBESRZSA-N 0 1 310.397 3.987 20 30 DHEDMN N#C[C@H]1CC[C@@H](NCc2cc(Br)ccc2Cl)C1 ZINC000424207831 337809286 /nfs/dbraw/zinc/80/92/86/337809286.db2.gz XRBZETBQGZQGKF-JOYOIKCWSA-N 0 1 313.626 3.884 20 30 DHEDMN N#Cc1c(F)cccc1CN1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000428247725 338044325 /nfs/dbraw/zinc/04/43/25/338044325.db2.gz VCURNCPOGPGPTJ-HNNXBMFYSA-N 0 1 312.363 3.901 20 30 DHEDMN C=CCN(C)Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000428391327 338049877 /nfs/dbraw/zinc/04/98/77/338049877.db2.gz QJDWDVRXAFKLHE-UHFFFAOYSA-N 0 1 309.335 3.568 20 30 DHEDMN CC(C)CCN(CCC#N)CCC(=O)Nc1ccc(Cl)cc1 ZINC000429046657 338069913 /nfs/dbraw/zinc/06/99/13/338069913.db2.gz NMWITMFCYKEOOF-UHFFFAOYSA-N 0 1 321.852 3.930 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339258633 /nfs/dbraw/zinc/25/86/33/339258633.db2.gz DCBIGMMJCMPITJ-SFHVURJKSA-N 0 1 310.372 3.741 20 30 DHEDMN COc1cc(C#N)ccc1CN1CC[C@H](C(F)(F)F)C1(C)C ZINC000470001412 339307839 /nfs/dbraw/zinc/30/78/39/339307839.db2.gz XAGRWSZZOALUCZ-AWEZNQCLSA-N 0 1 312.335 3.730 20 30 DHEDMN N#Cc1ccc(CN2CCC(Cc3ccc(F)c(F)c3)CC2)o1 ZINC000470547240 339321892 /nfs/dbraw/zinc/32/18/92/339321892.db2.gz QJSFYVJCTOWFKE-UHFFFAOYSA-N 0 1 316.351 3.884 20 30 DHEDMN CC(C)(C)C1CCC(C#N)(NC(=O)c2cccc3n[nH]cc32)CC1 ZINC000470591796 339322878 /nfs/dbraw/zinc/32/28/78/339322878.db2.gz UHBUGASWYMESOV-UHFFFAOYSA-N 0 1 324.428 3.791 20 30 DHEDMN C=CCC[C@@H](O)CN(CC)Cc1ccccc1Br ZINC000472783845 339377602 /nfs/dbraw/zinc/37/76/02/339377602.db2.gz DUYOUWVJMLNRGD-CQSZACIVSA-N 0 1 312.251 3.598 20 30 DHEDMN C=C1CCN(Cc2ccc(-c3ccccc3C(=O)OC)o2)CC1 ZINC000482013821 339619872 /nfs/dbraw/zinc/61/98/72/339619872.db2.gz GPYMFZQVEYFJPZ-UHFFFAOYSA-N 0 1 311.381 3.885 20 30 DHEDMN CN(CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CC(C)(C)C#N 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Cc1ccc([C@@H](C)N(C)Cc2cnc3ccc(C#N)cn23)cc1 ZINC000507193134 340212433 /nfs/dbraw/zinc/21/24/33/340212433.db2.gz NGHNLKFAISJDNY-OAHLLOKOSA-N 0 1 304.397 3.707 20 30 DHEDMN C=CCN(CCc1nc2ccccc2n1C)Cc1ccccc1F ZINC000510233874 340293621 /nfs/dbraw/zinc/29/36/21/340293621.db2.gz RISNWIBRLWDJDM-UHFFFAOYSA-N 0 1 323.415 3.943 20 30 DHEDMN C[C@@H]1C[C@@H](c2ccccc2)N(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000513235553 340398855 /nfs/dbraw/zinc/39/88/55/340398855.db2.gz CQLMBGYAQUBXPV-BEFAXECRSA-N 0 1 319.408 3.580 20 30 DHEDMN C=CCN(CC=C)C(=O)CN[C@@H](C)c1oc2ccccc2c1C ZINC000183570418 340488354 /nfs/dbraw/zinc/48/83/54/340488354.db2.gz FKMLHSFTJHHVII-HNNXBMFYSA-N 0 1 312.413 3.592 20 30 DHEDMN Cc1ccc([C@H](C)NCc2ccc(C#N)c(F)c2)cc1[N+](=O)[O-] ZINC000192162366 340563689 /nfs/dbraw/zinc/56/36/89/340563689.db2.gz SGBKGSDSTAWRKU-LBPRGKRZSA-N 0 1 313.332 3.765 20 30 DHEDMN COc1ccc(C(C)(C)NCc2ccc(F)c(C#N)c2)cc1F ZINC000528675772 340729073 /nfs/dbraw/zinc/72/90/73/340729073.db2.gz MLKNDELODRGXDI-UHFFFAOYSA-N 0 1 316.351 3.870 20 30 DHEDMN N#Cc1cccc(CN2CCC(c3ccc(O)cc3)CC2)c1F ZINC000539250315 340878422 /nfs/dbraw/zinc/87/84/22/340878422.db2.gz ONFFXHULUOFPQJ-UHFFFAOYSA-N 0 1 310.372 3.783 20 30 DHEDMN CCOc1cc(CN2CCC(CC#N)CC2)cc(Cl)c1OC ZINC000542855202 341023703 /nfs/dbraw/zinc/02/37/03/341023703.db2.gz YXORBKLVFHXWPR-UHFFFAOYSA-N 0 1 322.836 3.873 20 30 DHEDMN C[C@H]1N(CC#Cc2ccccc2Cl)CCC12CCOCC2 ZINC000543574833 341049359 /nfs/dbraw/zinc/04/93/59/341049359.db2.gz RBEWCOCXNVSLOQ-OAHLLOKOSA-N 0 1 303.833 3.583 20 30 DHEDMN C[C@@H]1N(CC#Cc2ccccc2Cl)CCC12CCOCC2 ZINC000543574829 341049441 /nfs/dbraw/zinc/04/94/41/341049441.db2.gz RBEWCOCXNVSLOQ-HNNXBMFYSA-N 0 1 303.833 3.583 20 30 DHEDMN N#Cc1cccc(C=Cc2nc(-c3ccc4[nH]cnc4c3)no2)c1 ZINC000545028743 341104985 /nfs/dbraw/zinc/10/49/85/341104985.db2.gz ZENYEUGHTFSHHB-DAXSKMNVSA-N 0 1 313.320 3.655 20 30 DHEDMN C=CCCCCNC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000545321804 341121324 /nfs/dbraw/zinc/12/13/24/341121324.db2.gz VEXDEHLSFQEQMI-INIZCTEOSA-N 0 1 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C[C@H]1C[C@H](c2ccccc2)[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC001594270569 999045946 /nfs/dbraw/zinc/04/59/46/999045946.db2.gz WOWLUKTXCVWLCC-IFXJQAMLSA-N 0 1 320.392 3.840 20 30 DHEDMN N#CC(C(=O)c1cccc2cnccc21)c1nc2ccccc2o1 ZINC000342384160 1016328419 /nfs/dbraw/zinc/32/84/19/1016328419.db2.gz ISJARHXLXIEZNU-OAHLLOKOSA-N 0 1 313.316 3.866 20 30 DHEDMN N#Cc1cc(Cl)ccc1CN1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451353347 1016449514 /nfs/dbraw/zinc/44/95/14/1016449514.db2.gz NZYCNOWEYJEMTL-KURKYZTESA-N 0 1 318.848 3.727 20 30 DHEDMN COc1ccc([C@@H]2CCCN2Cc2ccc(C)c(C#N)c2)nc1 ZINC000934340951 1016479158 /nfs/dbraw/zinc/47/91/58/1016479158.db2.gz FAFODKXYTAWUBZ-IBGZPJMESA-N 0 1 307.397 3.607 20 30 DHEDMN COC[C@@H](NCc1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000342446716 1016479435 /nfs/dbraw/zinc/47/94/35/1016479435.db2.gz RAROKBDYRYJCDW-QGZVFWFLSA-N 0 1 300.789 3.689 20 30 DHEDMN CCOc1ccccc1[C@@H](C)NCc1ccc(C#N)c(OC)c1 ZINC000281458282 1016519896 /nfs/dbraw/zinc/51/98/96/1016519896.db2.gz 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CC(C)c1nccnc1N=NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000773078866 1032549622 /nfs/dbraw/zinc/54/96/22/1032549622.db2.gz QGOMTNLPWPLVMM-UHFFFAOYSA-N 0 1 319.752 3.608 20 30 DHEDMN CC(C)c1nccnc1N=NC1CN(Cc2ccccc2)C[C@H]1C ZINC000773078077 1032551072 /nfs/dbraw/zinc/55/10/72/1032551072.db2.gz MASCKAHTPGOWOS-OAHLLOKOSA-N 0 1 323.444 3.520 20 30 DHEDMN COc1ccc(CN[C@H](C)c2ccc(C)cc2OC)cc1C#N ZINC000773081576 1032553046 /nfs/dbraw/zinc/55/30/46/1032553046.db2.gz DPYYHNKXVIDTIO-CQSZACIVSA-N 0 1 310.397 3.735 20 30 DHEDMN CC(C)c1nccnc1[N-][NH+]=Cc1ccc(N2CCCCC2)o1 ZINC000773086357 1032553712 /nfs/dbraw/zinc/55/37/12/1032553712.db2.gz QGKRKSKHRWJJLL-UHFFFAOYSA-N 0 1 313.405 3.629 20 30 DHEDMN C=C(Cl)COc1ccc([C@H](C)NCc2cc(C)ncn2)cc1 ZINC000773107922 1032560663 /nfs/dbraw/zinc/56/06/63/1032560663.db2.gz RBOBSWZROXHYLV-AWEZNQCLSA-N 0 1 317.820 3.767 20 30 DHEDMN CC(C)n1cncc1CNCC#Cc1ccc(C(F)(F)F)cc1 ZINC000424147257 1011918158 /nfs/dbraw/zinc/91/81/58/1011918158.db2.gz RBHMOKMKPDVAQN-UHFFFAOYSA-N 0 1 321.346 3.624 20 30 DHEDMN C=CCn1cc(CN[C@H]2CCCc3c4ccccc4sc32)nn1 ZINC000424293155 1011959803 /nfs/dbraw/zinc/95/98/03/1011959803.db2.gz IEMIIKGIAOQNJV-INIZCTEOSA-N 0 1 324.453 3.846 20 30 DHEDMN C=CC[C@H]1CCN1C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000890561438 1012251265 /nfs/dbraw/zinc/25/12/65/1012251265.db2.gz CBHINYXSNXTTFH-NSHDSACASA-N 0 1 301.777 3.521 20 30 DHEDMN C=CCCCC(=O)Nc1nc2c(s1)CN(C(C)(C)C)CC2 ZINC000425084776 1012256055 /nfs/dbraw/zinc/25/60/55/1012256055.db2.gz RIDCNBUQNDCNSE-UHFFFAOYSA-N 0 1 307.463 3.595 20 30 DHEDMN C[C@H](c1cccc(C#N)c1)N(C)Cc1cnn(CC(F)(F)F)c1 ZINC000425364721 1012487865 /nfs/dbraw/zinc/48/78/65/1012487865.db2.gz HHDGUQHUGRKDPX-GFCCVEGCSA-N 0 1 322.334 3.510 20 30 DHEDMN Cc1ccn2c(CN(C)[C@@H](C)c3cccc(C#N)c3)cnc2c1 ZINC000425366010 1012496332 /nfs/dbraw/zinc/49/63/32/1012496332.db2.gz NYKLONXOOGXXAQ-HNNXBMFYSA-N 0 1 304.397 3.707 20 30 DHEDMN C=C(C)CN(CC)CC(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000061758742 1032662369 /nfs/dbraw/zinc/66/23/69/1032662369.db2.gz IFXIMHZVSJZRJE-SFHVURJKSA-N 0 1 302.462 3.788 20 30 DHEDMN CCC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000340313645 1017169478 /nfs/dbraw/zinc/16/94/78/1017169478.db2.gz KUKOXVKLDBJTLF-INIZCTEOSA-N 0 1 321.424 3.797 20 30 DHEDMN CCCN(Cc1ccccc1)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000340313645 1017169486 /nfs/dbraw/zinc/16/94/86/1017169486.db2.gz KUKOXVKLDBJTLF-INIZCTEOSA-N 0 1 321.424 3.797 20 30 DHEDMN C=CC[C@H]1CCCC[C@@H]1NCc1csc(N(CC)C(C)=O)n1 ZINC000657528434 1017185898 /nfs/dbraw/zinc/18/58/98/1017185898.db2.gz AMEXRYNKXCXCQA-HOCLYGCPSA-N 0 1 321.490 3.740 20 30 DHEDMN Cc1csc([C@H](C#N)C(=O)c2cnc3ccc(F)cc3c2)n1 ZINC000179584572 1017269692 /nfs/dbraw/zinc/26/96/92/1017269692.db2.gz SXQOHEHLZHBAKC-CYBMUJFWSA-N 0 1 311.341 3.629 20 30 DHEDMN Cc1csc(C(C#N)C(=O)c2cnc3ccc(F)cc3c2)n1 ZINC000179584572 1017269700 /nfs/dbraw/zinc/26/97/00/1017269700.db2.gz SXQOHEHLZHBAKC-CYBMUJFWSA-N 0 1 311.341 3.629 20 30 DHEDMN C[C@@H](NCC#Cc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000180411558 1017440875 /nfs/dbraw/zinc/44/08/75/1017440875.db2.gz TXUYHDGAFAPNFL-CYBMUJFWSA-N 0 1 314.772 3.951 20 30 DHEDMN C=CCc1cc(CN[C@H](C)c2cccc(O)c2)cc(OC)c1O ZINC000113336398 1017548733 /nfs/dbraw/zinc/54/87/33/1017548733.db2.gz FBAXFOPWNNMADM-CYBMUJFWSA-N 0 1 313.397 3.686 20 30 DHEDMN Cc1nc(C2(NCCCCC(C)(C)C#N)CCCCC2)no1 ZINC000444641417 1017612343 /nfs/dbraw/zinc/61/23/43/1017612343.db2.gz DSSHJIRXJFSFIG-UHFFFAOYSA-N 0 1 304.438 3.847 20 30 DHEDMN CC(C)CCN(C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000121590290 1017925256 /nfs/dbraw/zinc/92/52/56/1017925256.db2.gz GJOTZEAHWVVBRB-UHFFFAOYSA-N 0 1 321.852 3.565 20 30 DHEDMN C=C(C)COc1cccc(NS(=O)(=O)c2cc(C)oc2C)c1 ZINC000182793962 1017955563 /nfs/dbraw/zinc/95/55/63/1017955563.db2.gz CHALKCZCHGMVJA-UHFFFAOYSA-N 0 1 321.398 3.652 20 30 DHEDMN COCCCOc1cc(C)ccc1CNCc1ccc(C#N)cc1 ZINC000088753865 1017958829 /nfs/dbraw/zinc/95/88/29/1017958829.db2.gz UQBQSNSPNMTSHM-UHFFFAOYSA-N 0 1 324.424 3.572 20 30 DHEDMN C[C@H](NCCCC(C)(C)C#N)c1nc(Cc2ccccc2)no1 ZINC000185366065 1018117414 /nfs/dbraw/zinc/11/74/14/1018117414.db2.gz FDRCJBNRUSHKKB-AWEZNQCLSA-N 0 1 312.417 3.641 20 30 DHEDMN C=C(C)[C@@H](NCc1ccc(CO)cc1)c1ccc(F)c(F)c1 ZINC000187780003 1018163355 /nfs/dbraw/zinc/16/33/55/1018163355.db2.gz TXDZNEAWGZUOIE-GOSISDBHSA-N 0 1 303.352 3.864 20 30 DHEDMN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)C2CC2)cc1 ZINC000176535732 1018203416 /nfs/dbraw/zinc/20/34/16/1018203416.db2.gz KDFQLIDCOMOTID-GDZNZVCISA-N 0 1 312.413 3.894 20 30 DHEDMN CC(C)N(CC#Cc1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000446764407 1018240534 /nfs/dbraw/zinc/24/05/34/1018240534.db2.gz HCRYSVBEUJZDFI-UHFFFAOYSA-N 0 1 306.384 3.959 20 30 DHEDMN CC[C@@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)N(C)C ZINC000764839518 1018398331 /nfs/dbraw/zinc/39/83/31/1018398331.db2.gz IHNITGDWWZUMNL-MOPGFXCFSA-N 0 1 321.424 3.621 20 30 DHEDMN CCCCCCCCCCC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000764895850 1018422850 /nfs/dbraw/zinc/42/28/50/1018422850.db2.gz JPPLPXUCTDZCCA-HNNXBMFYSA-N 0 1 305.466 3.914 20 30 DHEDMN CC[C@@H](NCc1nc2cc(C)ccc2[nH]1)c1ccc(C#N)cc1 ZINC000447563542 1018427883 /nfs/dbraw/zinc/42/78/83/1018427883.db2.gz QMSYCXABGDQSBV-MRXNPFEDSA-N 0 1 304.397 3.984 20 30 DHEDMN CC[C@@H](NCc1nc2ccc(C)cc2[nH]1)c1ccc(C#N)cc1 ZINC000447563542 1018427886 /nfs/dbraw/zinc/42/78/86/1018427886.db2.gz QMSYCXABGDQSBV-MRXNPFEDSA-N 0 1 304.397 3.984 20 30 DHEDMN N#Cc1cc(F)ccc1CN1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000728569344 1018500938 /nfs/dbraw/zinc/50/09/38/1018500938.db2.gz BCYARXQWZNHWJK-VQTJNVASSA-N 0 1 324.399 3.785 20 30 DHEDMN Cc1cc([C@H]2CCCN(c3cc(C#N)c4ccccc4n3)C2)[nH]n1 ZINC000583512044 1018523973 /nfs/dbraw/zinc/52/39/73/1018523973.db2.gz KGAGGTXPUPQLBQ-AWEZNQCLSA-N 0 1 317.396 3.522 20 30 DHEDMN Cc1ccc2ncc(CN[C@@H](CCC#N)c3ccccc3)n2c1 ZINC000130510397 1018685856 /nfs/dbraw/zinc/68/58/56/1018685856.db2.gz LXAOCYJNOUAURR-SFHVURJKSA-N 0 1 304.397 3.777 20 30 DHEDMN CCCN(CCC(C)(C)C#N)[C@H](C)C(=O)Nc1ccccc1 ZINC000157880311 1018702748 /nfs/dbraw/zinc/70/27/48/1018702748.db2.gz BOJRKGXELRDWDG-OAHLLOKOSA-N 0 1 301.434 3.665 20 30 DHEDMN CC[C@H](C#N)Oc1cccc(CNCc2cccc3c2OCC3)c1 ZINC000921743315 1018733622 /nfs/dbraw/zinc/73/36/22/1018733622.db2.gz OVZBLLMNNMANRW-GOSISDBHSA-N 0 1 322.408 3.592 20 30 DHEDMN COc1cc([C@H](C)NCc2ccc(C#N)c(F)c2)ccc1F ZINC000361859562 1018738748 /nfs/dbraw/zinc/73/87/48/1018738748.db2.gz FFDPQPMTLVNTKU-NSHDSACASA-N 0 1 302.324 3.696 20 30 DHEDMN N#CC1CCC(C[NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000858162188 1032786726 /nfs/dbraw/zinc/78/67/26/1032786726.db2.gz RNHSNDJQYPWMPQ-UHFFFAOYSA-N 0 1 323.234 3.574 20 30 DHEDMN C#CC[C@H]1CCCN(Cc2cc(Cl)c(O)c(OCC)c2)C1 ZINC000843422657 1018866985 /nfs/dbraw/zinc/86/69/85/1018866985.db2.gz HMFNLNWSBJSNPG-ZDUSSCGKSA-N 0 1 307.821 3.680 20 30 DHEDMN Cc1ccc([C@@H](C)NCc2csc(C#N)c2)cc1[N+](=O)[O-] ZINC000921818553 1018903681 /nfs/dbraw/zinc/90/36/81/1018903681.db2.gz PXEGFMPKIAYIKG-LLVKDONJSA-N 0 1 301.371 3.687 20 30 DHEDMN N#C[C@@H](C(=O)C=CC1CCCCC1)c1cnc2ccccc2n1 ZINC000588587833 1018964340 /nfs/dbraw/zinc/96/43/40/1018964340.db2.gz SVQMWBWIHPVYFZ-JQPIKURYSA-N 0 1 305.381 3.943 20 30 DHEDMN C=CCN(C)Cc1cn(-c2ccccc2Br)nc1C ZINC000656255202 1018988859 /nfs/dbraw/zinc/98/88/59/1018988859.db2.gz HAAPHUQSZVFUCO-UHFFFAOYSA-N 0 1 320.234 3.561 20 30 DHEDMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)O[C@H](C#N)C(C)(C)C ZINC000765615440 1019005473 /nfs/dbraw/zinc/00/54/73/1019005473.db2.gz FGTOLTYJQKQOSG-CQSZACIVSA-N 0 1 311.385 3.789 20 30 DHEDMN CN(CC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCCc2ccccc21 ZINC000008126809 1019088285 /nfs/dbraw/zinc/08/82/85/1019088285.db2.gz GWYJSMRSRHVQQS-LJQANCHMSA-N 0 1 319.408 3.506 20 30 DHEDMN C[C@H](NCc1ccccc1C#N)c1ccc(-n2cccn2)cc1 ZINC000179094641 1019408438 /nfs/dbraw/zinc/40/84/38/1019408438.db2.gz QXOGUQDNJXAVKQ-HNNXBMFYSA-N 0 1 302.381 3.595 20 30 DHEDMN COCCN(Cc1ccc(C#N)s1)Cc1ccc(C)cc1C ZINC000611257393 1019424299 /nfs/dbraw/zinc/42/42/99/1019424299.db2.gz ITISFYOPLZXAGN-UHFFFAOYSA-N 0 1 314.454 3.885 20 30 DHEDMN CC(C)c1cccc(NC(=O)CN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000611389263 1019463501 /nfs/dbraw/zinc/46/35/01/1019463501.db2.gz RSCYIWMTBPQIKF-HNNXBMFYSA-N 0 1 321.424 3.971 20 30 DHEDMN CC(C)c1nc([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)n[nH]1 ZINC000611395148 1019468942 /nfs/dbraw/zinc/46/89/42/1019468942.db2.gz NJNOPDBKFJCTLO-MLGOLLRUSA-N 0 1 309.417 3.528 20 30 DHEDMN COc1ccc(CN2C[C@H](C(F)(F)F)CC[C@@H]2C)cc1C#N ZINC000611554540 1019520902 /nfs/dbraw/zinc/52/09/02/1019520902.db2.gz UIJGPUDOSKQRTQ-SMDDNHRTSA-N 0 1 312.335 3.730 20 30 DHEDMN C=C[C@@](C)(CC)c1nc(-c2ccc(F)c(CN(C)C)c2)no1 ZINC000685312986 1019548589 /nfs/dbraw/zinc/54/85/89/1019548589.db2.gz OZVKXOBNNAMBFA-KRWDZBQOSA-N 0 1 303.381 3.791 20 30 DHEDMN CCOc1cccc(CN=Nc2ccc(C)cn2)c1OC(F)F ZINC000727259642 1019677378 /nfs/dbraw/zinc/67/73/78/1019677378.db2.gz JBQAPMVWLDHGFX-UHFFFAOYSA-N 0 1 321.327 3.836 20 30 DHEDMN C=C(C)CNC(=S)Nc1cccc2c1CN(CCC(C)C)C2 ZINC000727979190 1019851945 /nfs/dbraw/zinc/85/19/45/1019851945.db2.gz SSABKAYQKUYKHG-UHFFFAOYSA-N 0 1 317.502 3.911 20 30 DHEDMN Cc1ccncc1[C@@H](C)NCc1ccc(C#N)cc1OC(F)F ZINC000611939715 1019903939 /nfs/dbraw/zinc/90/39/39/1019903939.db2.gz KTAAFMGQEDVPCK-GFCCVEGCSA-N 0 1 317.339 3.714 20 30 DHEDMN Cc1ccc(N=NC(C)c2ccc(N3CCCCC3)cc2)nn1 ZINC000729936567 1019924220 /nfs/dbraw/zinc/92/42/20/1019924220.db2.gz VNCVIXHXCWDMML-UHFFFAOYSA-N 0 1 309.417 3.611 20 30 DHEDMN CCC(N=Nc1ccnc2ccccc12)c1ccc2c(c1)CCO2 ZINC000730148401 1019954523 /nfs/dbraw/zinc/95/45/23/1019954523.db2.gz SXYZWJRFHHSAIT-UHFFFAOYSA-N 0 1 317.392 3.818 20 30 DHEDMN C=CCCO[C@@H](C)C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730421697 1019985030 /nfs/dbraw/zinc/98/50/30/1019985030.db2.gz NLFGSOHYEUHSIV-CMPLNLGQSA-N 0 1 318.373 3.593 20 30 DHEDMN C[C@H](NCc1csc(C#N)c1)c1ccc(C(F)(F)F)nc1 ZINC000922326833 1020001443 /nfs/dbraw/zinc/00/14/43/1020001443.db2.gz BXMGKZLKAKRZJS-VIFPVBQESA-N 0 1 311.332 3.884 20 30 DHEDMN N#Cc1ccc(CCNc2ccc(C3C=NC(=S)N3)cc2)cc1 ZINC001167678858 1020034416 /nfs/dbraw/zinc/03/44/16/1020034416.db2.gz DUKQVXZUPJSLEM-UHFFFAOYSA-N 0 1 320.421 3.892 20 30 DHEDMN COc1cc(OC)c(C(C)=NNc2ccc(F)cn2)cc1Cl ZINC000731322083 1020089819 /nfs/dbraw/zinc/08/98/19/1020089819.db2.gz XLCFZLVUNPBQNN-UHFFFAOYSA-N 0 1 323.755 3.727 20 30 DHEDMN N#Cc1ccc2nc(-c3ccc(OC[C@H]4CCCO4)cc3)[nH]c2c1 ZINC000123744624 1020096039 /nfs/dbraw/zinc/09/60/39/1020096039.db2.gz ZNXRJSVBBZEZBI-MRXNPFEDSA-N 0 1 319.364 3.659 20 30 DHEDMN N#Cc1ccc(O)c(NC(=O)/C=C\c2ccc(Cl)s2)c1 ZINC000255651478 1020180019 /nfs/dbraw/zinc/18/00/19/1020180019.db2.gz YJILGLPWKAMPAD-UTCJRWHESA-N 0 1 304.758 3.631 20 30 DHEDMN COc1ccc(C(=O)[C@@H](C#N)c2nc(C3CC3)cs2)cc1F ZINC000647371897 1020217930 /nfs/dbraw/zinc/21/79/30/1020217930.db2.gz AANXVJSQPBEPNG-LLVKDONJSA-N 0 1 316.357 3.658 20 30 DHEDMN COc1ccc(C(=O)C(C#N)c2nc(C3CC3)cs2)cc1F ZINC000647371897 1020217936 /nfs/dbraw/zinc/21/79/36/1020217936.db2.gz AANXVJSQPBEPNG-LLVKDONJSA-N 0 1 316.357 3.658 20 30 DHEDMN Cc1ccc(C(=O)C(C#N)c2nc(C3CC3)cs2)cc1F ZINC000647373759 1020222896 /nfs/dbraw/zinc/22/28/96/1020222896.db2.gz OCPHKIIWJIBUPQ-GFCCVEGCSA-N 0 1 300.358 3.958 20 30 DHEDMN N#CC(C(=O)C[C@@H]1CCC2(CCC2)O1)c1ccc2ccccc2n1 ZINC000892427814 1020245020 /nfs/dbraw/zinc/24/50/20/1020245020.db2.gz QBWMMIWRCPSXPL-JKSUJKDBSA-N 0 1 320.392 3.903 20 30 DHEDMN C=CCN(CC1CCCCC1)Cn1ccc(C(F)(F)F)n1 ZINC000732671954 1020267260 /nfs/dbraw/zinc/26/72/60/1020267260.db2.gz YMLUQIIEWHJFOM-UHFFFAOYSA-N 0 1 301.356 3.928 20 30 DHEDMN N#CC1(c2ccc(CN[C@@H]3CCCc4cccnc43)cc2)CC1 ZINC000922875622 1020319729 /nfs/dbraw/zinc/31/97/29/1020319729.db2.gz OARGNBFDZAWFFU-GOSISDBHSA-N 0 1 303.409 3.804 20 30 DHEDMN COc1cccc([C@@H]2C[C@@H](C)CN2Cc2ccnc(C#N)c2)c1 ZINC000612137797 1020327089 /nfs/dbraw/zinc/32/70/89/1020327089.db2.gz WLYOUGJNWAKKFQ-KUHUBIRLSA-N 0 1 307.397 3.545 20 30 DHEDMN C=C(Cl)COc1ccc([C@H](C)NCc2cc(CC)n[nH]2)cc1 ZINC000766003954 1020334299 /nfs/dbraw/zinc/33/42/99/1020334299.db2.gz QOLFGWRLMWNWCN-ZDUSSCGKSA-N 0 1 319.836 3.954 20 30 DHEDMN Cc1ccc(CN2CCC(C(=O)c3ccccc3)CC2)cc1C#N ZINC000625053539 1020349996 /nfs/dbraw/zinc/34/99/96/1020349996.db2.gz MOZDTVJSSDBTTP-UHFFFAOYSA-N 0 1 318.420 3.962 20 30 DHEDMN CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)C(C)C)cc1 ZINC000733679406 1020422548 /nfs/dbraw/zinc/42/25/48/1020422548.db2.gz ZIIGYIHRARTPOW-YOEHRIQHSA-N 0 1 314.429 3.969 20 30 DHEDMN Cc1cc(C(C#N)C(=O)CC[C@H]2CCc3ccccc32)nc(C)n1 ZINC000892475298 1020429887 /nfs/dbraw/zinc/42/98/87/1020429887.db2.gz JGBCJJGZGNNUHM-SJLPKXTDSA-N 0 1 319.408 3.780 20 30 DHEDMN N#Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2F)cc1O ZINC000188513000 1020482990 /nfs/dbraw/zinc/48/29/90/1020482990.db2.gz QXHFYSIQPVEGNN-UHFFFAOYSA-N 0 1 324.233 3.674 20 30 DHEDMN C[C@@H]1CC[C@]2(CCN(Cc3nnc(-c4ccc(C#N)cc4)o3)C2)C1 ZINC000364676321 1020485689 /nfs/dbraw/zinc/48/56/89/1020485689.db2.gz NMEYDNRWPHMSOK-KUHUBIRLSA-N 0 1 322.412 3.620 20 30 DHEDMN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@H](C)C[C@@H](C)C1 ZINC000302800373 1020550564 /nfs/dbraw/zinc/55/05/64/1020550564.db2.gz TYZOLTWLWPLTOQ-JHJVBQTASA-N 0 1 319.836 3.517 20 30 DHEDMN CC(=O)Nc1cccc(C(C)=NNc2cc(F)c(F)cc2F)c1 ZINC000734301719 1020584827 /nfs/dbraw/zinc/58/48/27/1020584827.db2.gz MDTLMWPPWSXYBR-UHFFFAOYSA-N 0 1 321.302 3.898 20 30 DHEDMN CC(=NO[C@@H]1CCCCO1)c1ccc(N2CCCCC2)cc1 ZINC000755814512 1020586505 /nfs/dbraw/zinc/58/65/05/1020586505.db2.gz MKRARUUKYVLZOL-GOSISDBHSA-N 0 1 302.418 3.944 20 30 DHEDMN C=C[C@H](COC)N[C@H](C)c1cc(Cl)ccc1OC(F)F ZINC001116643045 1020592723 /nfs/dbraw/zinc/59/27/23/1020592723.db2.gz HLQAODRBYLOQGE-MWLCHTKSSA-N 0 1 305.752 3.793 20 30 DHEDMN COCCC(=NN=c1[nH]c2ccccc2[nH]1)c1ccc(F)cc1 ZINC000734743847 1020651547 /nfs/dbraw/zinc/65/15/47/1020651547.db2.gz NWERWHAIQQXTSO-UHFFFAOYSA-N 0 1 312.348 3.555 20 30 DHEDMN C=CCc1cc(CN(C)[C@@H](C)c2ccco2)cc(OC)c1O ZINC000131065677 1032919479 /nfs/dbraw/zinc/91/94/79/1032919479.db2.gz XEMUJWMMCQBVHG-ZDUSSCGKSA-N 0 1 301.386 3.915 20 30 DHEDMN Cc1ccn2c(CN(Cc3ccc(C#N)cc3)C3CC3)cnc2c1 ZINC000180029224 1020709714 /nfs/dbraw/zinc/70/97/14/1020709714.db2.gz QWKPBFZDLAQQTJ-UHFFFAOYSA-N 0 1 316.408 3.679 20 30 DHEDMN N#CCOc1ccc(Cl)cc1CN1CC[C@H](c2ccco2)C1 ZINC000735309067 1020714682 /nfs/dbraw/zinc/71/46/82/1020714682.db2.gz FBDMXYSAPIMUMD-ZDUSSCGKSA-N 0 1 316.788 3.825 20 30 DHEDMN C=CCc1cc(CN(C)Cc2ccc(C#N)cc2)cc(OC)c1O ZINC000131173514 1032923818 /nfs/dbraw/zinc/92/38/18/1032923818.db2.gz INVQJDISBLEIRX-UHFFFAOYSA-N 0 1 322.408 3.633 20 30 DHEDMN C=CC[C@H](Cc1ccccc1)NC(=O)c1c(C)n[nH]c1C(C)C ZINC000413983503 1020756798 /nfs/dbraw/zinc/75/67/98/1020756798.db2.gz HKJVABPAFSVDPR-MRXNPFEDSA-N 0 1 311.429 3.759 20 30 DHEDMN Cc1cccc2nc([C@H](C#N)C(=O)CSCCC(C)C)[nH]c21 ZINC000735787406 1020767814 /nfs/dbraw/zinc/76/78/14/1020767814.db2.gz CCWHDXKMXNHFEB-CYBMUJFWSA-N 0 1 315.442 3.827 20 30 DHEDMN C=CCCC[N@@H+](C)Cc1c([O-])c(C(=O)OC)cc2ccccc21 ZINC000736582838 1020822593 /nfs/dbraw/zinc/82/25/93/1020822593.db2.gz KUFRCFUXCBRSJR-UHFFFAOYSA-N 0 1 313.397 3.730 20 30 DHEDMN C=CCCC[N@H+](C)Cc1c([O-])c(C(=O)OC)cc2ccccc21 ZINC000736582838 1020822602 /nfs/dbraw/zinc/82/26/02/1020822602.db2.gz KUFRCFUXCBRSJR-UHFFFAOYSA-N 0 1 313.397 3.730 20 30 DHEDMN O=C1c2ccc(O)cc2O/C1=C/c1cc(Cl)ccc1[N+](=O)[O-] ZINC000739423436 1020909450 /nfs/dbraw/zinc/90/94/50/1020909450.db2.gz BAHSBXBSBYKNSC-MKMNVTDBSA-N 0 1 317.684 3.570 20 30 DHEDMN CCCN(CC)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000264495312 1032942386 /nfs/dbraw/zinc/94/23/86/1032942386.db2.gz UFRLIKICQVZKQA-CQSZACIVSA-N 0 1 319.474 3.751 20 30 DHEDMN Cc1ccc2c(c1C)C(=NNc1nc3ccccc3[nH]1)CCO2 ZINC000737416777 1020984753 /nfs/dbraw/zinc/98/47/53/1020984753.db2.gz FPKOBUGOLXWHKD-UHFFFAOYSA-N 0 1 306.369 3.778 20 30 DHEDMN C=CCC[C@H](O)CN1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000472580932 1021076155 /nfs/dbraw/zinc/07/61/55/1021076155.db2.gz LYWYXOKASHCLSX-HOTGVXAUSA-N 0 1 311.878 3.757 20 30 DHEDMN C#CCOc1ccccc1CN[C@@H](C)c1ccc(OC)c(F)c1 ZINC000102559208 1021108330 /nfs/dbraw/zinc/10/83/30/1021108330.db2.gz HACHQMZFDPRVFX-AWEZNQCLSA-N 0 1 313.372 3.697 20 30 DHEDMN CC(C)COC1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000177040026 1021194112 /nfs/dbraw/zinc/19/41/12/1021194112.db2.gz JHTPOQLAICCVRF-UHFFFAOYSA-N 0 1 305.849 3.829 20 30 DHEDMN C[C@@H](Cc1ccc(Br)cc1F)NCC(C)(C)C#N ZINC000613540376 1021197793 /nfs/dbraw/zinc/19/77/93/1021197793.db2.gz PXTWMNYTJWPLNI-JTQLQIEISA-N 0 1 313.214 3.659 20 30 DHEDMN N#CCCOCCN1CCC[C@@H]1c1cccc(Br)c1 ZINC000338914808 1021299342 /nfs/dbraw/zinc/29/93/42/1021299342.db2.gz CNTPVOVLLVMDBT-OAHLLOKOSA-N 0 1 323.234 3.516 20 30 DHEDMN O=C(/C=C/c1cc(Cl)cc2c1OCC2)c1ccc(O)cc1O ZINC000782889875 1021373386 /nfs/dbraw/zinc/37/33/86/1021373386.db2.gz OATCPAVQYMVZBQ-DAFODLJHSA-N 0 1 316.740 3.582 20 30 DHEDMN N#Cc1ccc(CN2CC[C@H]3CCC[C@@H]3C2)cc1Br ZINC001236856650 1021392066 /nfs/dbraw/zinc/39/20/66/1021392066.db2.gz NMCQXOBPRMHLCS-UKRRQHHQSA-N 0 1 319.246 3.943 20 30 DHEDMN CC(C)(C#N)CCCN1CCC[C@@H]1C(=O)OCc1ccccc1 ZINC000174855720 1021436035 /nfs/dbraw/zinc/43/60/35/1021436035.db2.gz FRLOQGQSYVQSHO-QGZVFWFLSA-N 0 1 314.429 3.524 20 30 DHEDMN CC[C@@H](N[C@H](C)c1ccc(OCC#N)cc1)c1c(C)noc1C ZINC000182079965 1021470760 /nfs/dbraw/zinc/47/07/60/1021470760.db2.gz NQKCQUQOTXDRMK-SJKOYZFVSA-N 0 1 313.401 3.996 20 30 DHEDMN CCCCCC[C@@H](C)CC(=O)[C@H](C#N)C(=O)NC1CCCC1 ZINC000070033861 1021487198 /nfs/dbraw/zinc/48/71/98/1021487198.db2.gz DPXJTAWBASEMGN-ZBFHGGJFSA-N 0 1 306.450 3.751 20 30 DHEDMN N#Cc1ccc2c(c1)CC[C@H]2N=c1nc(-c2ccccc2)[nH]s1 ZINC000618693203 1021491292 /nfs/dbraw/zinc/49/12/92/1021491292.db2.gz BNPJWWKNQFJQAG-MRXNPFEDSA-N 0 1 318.405 3.598 20 30 DHEDMN N#CCCCOc1cccc(CN[C@H]2C[C@@H](O)c3ccccc32)c1 ZINC000850371541 1021494706 /nfs/dbraw/zinc/49/47/06/1021494706.db2.gz KOFVHXNINCDMCD-VQTJNVASSA-N 0 1 322.408 3.637 20 30 DHEDMN COc1ccc(OC)c([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)c1 ZINC000618803429 1021532249 /nfs/dbraw/zinc/53/22/49/1021532249.db2.gz ILGLVFJXMUZFAD-DJJJIMSYSA-N 0 1 322.408 3.914 20 30 DHEDMN Cc1cc(C(C#N)C(=O)C[C@H](C)c2ccc(F)cc2)nc(C)n1 ZINC000918485931 1021534768 /nfs/dbraw/zinc/53/47/68/1021534768.db2.gz GZOAXCGOORNBKF-MEDUHNTESA-N 0 1 311.360 3.603 20 30 DHEDMN Cc1cc(C(C#N)C(=O)C[C@H](C)c2ccc(F)cc2)nc(C)n1 ZINC000918485932 1021535170 /nfs/dbraw/zinc/53/51/70/1021535170.db2.gz GZOAXCGOORNBKF-ZBEGNZNMSA-N 0 1 311.360 3.603 20 30 DHEDMN C#CCOc1ccccc1CN[C@H](C)c1ccc(C(F)F)nc1 ZINC000850444615 1021539989 /nfs/dbraw/zinc/53/99/89/1021539989.db2.gz VBAUKACGKSIJRV-CYBMUJFWSA-N 0 1 316.351 3.882 20 30 DHEDMN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000850761157 1021642017 /nfs/dbraw/zinc/64/20/17/1021642017.db2.gz IBICOHZTGYUCNS-DXFIHEEPSA-N 0 1 324.424 3.894 20 30 DHEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2CCCC3(CC3)C2)c1 ZINC000850757035 1021642082 /nfs/dbraw/zinc/64/20/82/1021642082.db2.gz GGATYSIESOGGFV-ZBFHGGJFSA-N 0 1 310.397 3.613 20 30 DHEDMN CN(Cc1ccc(C#N)cc1Br)CC1CCCC1 ZINC000480748149 1021673313 /nfs/dbraw/zinc/67/33/13/1021673313.db2.gz KVMVLIHLHVUVDP-UHFFFAOYSA-N 0 1 307.235 3.943 20 30 DHEDMN C[C@H](NCC#Cc1cccc(Cl)c1)c1ccc2c(c1)OCO2 ZINC000538167167 1033000574 /nfs/dbraw/zinc/00/05/74/1033000574.db2.gz HGTSGYKNRSPENP-ZDUSSCGKSA-N 0 1 313.784 3.771 20 30 DHEDMN C[C@@H]1CC(NN=Cc2cc(Cl)c(O)cc2Cl)C[C@@H](C)O1 ZINC000901305853 1021678484 /nfs/dbraw/zinc/67/84/84/1021678484.db2.gz GCHHVNVDAWBTFW-RKDXNWHRSA-N 0 1 317.216 3.579 20 30 DHEDMN Fc1cc(CNCC#Cc2ccccc2)ccc1Br ZINC000763435428 1021775992 /nfs/dbraw/zinc/77/59/92/1021775992.db2.gz UAMDKZSTPCHWNQ-UHFFFAOYSA-N 0 1 318.189 3.730 20 30 DHEDMN CCC(C)(C)CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000745948402 1021804727 /nfs/dbraw/zinc/80/47/27/1021804727.db2.gz ZYVUSQDLZMRLKM-CYBMUJFWSA-N 0 1 306.793 3.814 20 30 DHEDMN C[C@@H](C(=O)C(C#N)C(=O)Nc1ccccc1Cl)C1CCCC1 ZINC000750684863 1021808493 /nfs/dbraw/zinc/80/84/93/1021808493.db2.gz XKJUCNOHCRVRBI-YPMHNXCESA-N 0 1 318.804 3.814 20 30 DHEDMN Cc1ccc2nc(CN=Cc3cc4ccccc4[nH]c3=O)[nH]c2c1 ZINC000745976627 1021816762 /nfs/dbraw/zinc/81/67/62/1021816762.db2.gz LJAYGMLFRJADMB-JMIUGGIZSA-N 0 1 316.364 3.744 20 30 DHEDMN COCCN(Cc1cc(C)sc1C)Cc1ccc(C#N)cc1 ZINC000195000623 1021834066 /nfs/dbraw/zinc/83/40/66/1021834066.db2.gz KTKALLOWIDKRRC-UHFFFAOYSA-N 0 1 314.454 3.885 20 30 DHEDMN C[C@H](C#N)Oc1ccc(CNCc2ccc([C@H]3C[C@@H]3C)o2)cc1 ZINC000728712102 1021864520 /nfs/dbraw/zinc/86/45/20/1021864520.db2.gz ZUSNVQHRYAKDNN-IYOUNJFTSA-N 0 1 310.397 3.984 20 30 DHEDMN CC(C)(C)c1ncc(CN=Nc2ccccc2[N+](=O)[O-])s1 ZINC000920357943 1022108812 /nfs/dbraw/zinc/10/88/12/1022108812.db2.gz YYNCHOMOFIHDQG-UHFFFAOYSA-N 0 1 304.375 3.795 20 30 DHEDMN N#Cc1ccc(F)c(CN2CCC[C@@H](c3nccs3)C2)c1 ZINC000195345808 1022131449 /nfs/dbraw/zinc/13/14/49/1022131449.db2.gz HFOJFALUSVVDFL-CYBMUJFWSA-N 0 1 301.390 3.533 20 30 DHEDMN CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1ccc(C#N)cc1Br ZINC000481116938 1022135856 /nfs/dbraw/zinc/13/58/56/1022135856.db2.gz MXJKVPDELXQQCW-BXUZGUMPSA-N 0 1 307.235 3.941 20 30 DHEDMN C=CC[N@@H+](Cc1cc(=O)oc2cc([O-])c(Cl)cc12)C(C)(C)C ZINC000852554101 1022139851 /nfs/dbraw/zinc/13/98/51/1022139851.db2.gz CDYYHXKLJIYZOE-UHFFFAOYSA-N 0 1 321.804 3.939 20 30 DHEDMN CN(CCC#N)c1ccc(CNCc2ccc(Cl)o2)cc1 ZINC000920957118 1022195909 /nfs/dbraw/zinc/19/59/09/1022195909.db2.gz ILWKUCHDDCDSRS-UHFFFAOYSA-N 0 1 303.793 3.573 20 30 DHEDMN COc1ccc(CN=Nc2cccc(Cl)c2F)c(OC)c1 ZINC000921137557 1022216974 /nfs/dbraw/zinc/21/69/74/1022216974.db2.gz CNYIONPKPYGMTC-UHFFFAOYSA-N 0 1 308.740 3.942 20 30 DHEDMN FC(F)(F)CCN1CCC(N=Nc2ccc(Cl)cn2)CC1 ZINC000853437907 1022273457 /nfs/dbraw/zinc/27/34/57/1022273457.db2.gz WKBIYHBRGGTWRO-UHFFFAOYSA-N 0 1 320.746 3.551 20 30 DHEDMN C=CCc1cc(-c2nc3ccc(C#N)cc3[nH]2)cc(OC)c1O ZINC000154231178 1022289366 /nfs/dbraw/zinc/28/93/66/1022289366.db2.gz IEHZNISFHFAJNX-UHFFFAOYSA-N 0 1 305.337 3.544 20 30 DHEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1C(=O)C2(CCC2)[C@H]1c1ccccc1 ZINC000853598834 1022296573 /nfs/dbraw/zinc/29/65/73/1022296573.db2.gz XHIWHBYWXBVVON-CEXWTWQISA-N 0 1 322.452 3.881 20 30 DHEDMN N#Cc1cnc(NCc2nc3ccc(Cl)cc3[nH]2)c(Cl)c1 ZINC000609631214 1022321770 /nfs/dbraw/zinc/32/17/70/1022321770.db2.gz PSOJEXVOHMYNKW-UHFFFAOYSA-N 0 1 318.167 3.748 20 30 DHEDMN C[C@@H](C#N)CN(C)CC/C=C/c1ccc(Br)cc1 ZINC000609766368 1022349902 /nfs/dbraw/zinc/34/99/02/1022349902.db2.gz CZVSEAFIZXSTRB-LQPUYASZSA-N 0 1 307.235 3.944 20 30 DHEDMN CC1(C)Cc2c(cnn2-c2ccccc2)CN(CCCC#N)C1 ZINC000854061272 1022399639 /nfs/dbraw/zinc/39/96/39/1022399639.db2.gz BRJXOLMPWZKATA-UHFFFAOYSA-N 0 1 308.429 3.560 20 30 DHEDMN C[C@@H]1c2ccc(F)cc2CCN1CCOc1ccc(C#N)cc1 ZINC000610004524 1022401269 /nfs/dbraw/zinc/40/12/69/1022401269.db2.gz ODOSCABSOPNBMQ-CQSZACIVSA-N 0 1 310.372 3.695 20 30 DHEDMN C=CCCO[C@H](C)C(=O)O[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000111990328 1022422662 /nfs/dbraw/zinc/42/26/62/1022422662.db2.gz QTZUQTXGSKCLQV-GHMZBOCLSA-N 0 1 322.792 3.802 20 30 DHEDMN C#CCOc1ccccc1CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000776746105 1022484801 /nfs/dbraw/zinc/48/48/01/1022484801.db2.gz LACJLQOAVZEYSH-AWEZNQCLSA-N 0 1 308.356 3.560 20 30 DHEDMN C=C(C)CN(CC)C(=O)CN(C)[C@H](C)c1ccc(C)cc1C ZINC000615463737 1022491540 /nfs/dbraw/zinc/49/15/40/1022491540.db2.gz KWBWRPLNSYGPCP-QGZVFWFLSA-N 0 1 302.462 3.721 20 30 DHEDMN C#CCCCC(=O)N(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000854817848 1022530168 /nfs/dbraw/zinc/53/01/68/1022530168.db2.gz HNCBBCFGKJONBE-NSHDSACASA-N 0 1 303.793 3.539 20 30 DHEDMN C#CCCCCCCN1[C@H](C(=O)OC)CC[C@H]1c1ccccc1 ZINC001169831754 1022551890 /nfs/dbraw/zinc/55/18/90/1022551890.db2.gz BSCCSVWQTTYIHD-OALUTQOASA-N 0 1 313.441 3.949 20 30 DHEDMN FC(F)(F)Oc1ccccc1C=NNc1nc2ccccc2[nH]1 ZINC000767062240 1022632503 /nfs/dbraw/zinc/63/25/03/1022632503.db2.gz JGKPQFHVEJJXHE-UHFFFAOYSA-N 0 1 320.274 3.908 20 30 DHEDMN CC[C@@H](C#N)Oc1cc(CNCc2ccsc2)ccc1OC ZINC000113347864 1022635765 /nfs/dbraw/zinc/63/57/65/1022635765.db2.gz LAMXSTFEQNMXKG-HNNXBMFYSA-N 0 1 316.426 3.727 20 30 DHEDMN CCCCC[C@H](NC)c1nc(-c2cc(F)cc(C#N)c2)no1 ZINC001212278866 1022643767 /nfs/dbraw/zinc/64/37/67/1022643767.db2.gz BAWPOPPPMMBUNY-AWEZNQCLSA-N 0 1 302.353 3.588 20 30 DHEDMN CC[C@@H](CC#N)N[C@@H](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000184084375 1022695997 /nfs/dbraw/zinc/69/59/97/1022695997.db2.gz ZHSQPXQWAHFJGG-STQMWFEESA-N 0 1 307.825 3.647 20 30 DHEDMN C=C(C)CN(CC)C(=O)c1[nH]nc2cc(C(F)(F)F)ccc21 ZINC001156497552 1022732209 /nfs/dbraw/zinc/73/22/09/1022732209.db2.gz LLXTZDZAYPQQDR-UHFFFAOYSA-N 0 1 311.307 3.620 20 30 DHEDMN C=CCCONC(=O)C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000856031328 1022741187 /nfs/dbraw/zinc/74/11/87/1022741187.db2.gz LIPXZPHKFICBGD-UHFFFAOYSA-N 0 1 301.308 3.607 20 30 DHEDMN COc1ccc(N=NC(C)c2cc(F)ccc2F)c([N+](=O)[O-])c1 ZINC000767801158 1022814634 /nfs/dbraw/zinc/81/46/34/1022814634.db2.gz GMAXPRCJASOATK-UHFFFAOYSA-N 0 1 321.283 3.718 20 30 DHEDMN Fc1cc(Cl)c(NN=Cc2cn3cccnc3n2)c(Cl)c1 ZINC000767909565 1022839555 /nfs/dbraw/zinc/83/95/55/1022839555.db2.gz JTXRBDIUFPWJKP-UHFFFAOYSA-N 0 1 324.146 3.621 20 30 DHEDMN CC[C@H](C#N)Oc1cc(CN[C@H](C)c2ccoc2)ccc1OC ZINC000180814755 1022840459 /nfs/dbraw/zinc/84/04/59/1022840459.db2.gz RIPTYRSZQIYDOH-CZUORRHYSA-N 0 1 314.385 3.820 20 30 DHEDMN C=CCOCCN[C@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000856777575 1022863292 /nfs/dbraw/zinc/86/32/92/1022863292.db2.gz ZTMSZVNONRTNEU-SECBINFHSA-N 0 1 308.731 3.607 20 30 DHEDMN CC[C@@H](C(=O)OCc1ccccc1C(C)(C)C#N)N(CC)CC ZINC000768030302 1022869379 /nfs/dbraw/zinc/86/93/79/1022869379.db2.gz RGMBMTDVPPAJEA-KRWDZBQOSA-N 0 1 316.445 3.651 20 30 DHEDMN Cn1cc(CN[C@H](CCCC#N)c2ccccc2)c(Cl)n1 ZINC000856790211 1022869507 /nfs/dbraw/zinc/86/95/07/1022869507.db2.gz WOAHSJLXBVNXLU-OAHLLOKOSA-N 0 1 302.809 3.598 20 30 DHEDMN CCCN(C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000069092166 1022896481 /nfs/dbraw/zinc/89/64/81/1022896481.db2.gz IDCNABOUDBNGBR-LBPRGKRZSA-N 0 1 319.474 3.557 20 30 DHEDMN N#Cc1csc(CN[C@H]2CCCOc3cc(F)ccc32)c1 ZINC000181036250 1022913294 /nfs/dbraw/zinc/91/32/94/1022913294.db2.gz RCTRYYQJJFPVMQ-HNNXBMFYSA-N 0 1 302.374 3.762 20 30 DHEDMN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1csc([N+](=O)[O-])c1 ZINC000418150564 1022979135 /nfs/dbraw/zinc/97/91/35/1022979135.db2.gz WIFUQQFAHHWGHC-HNNXBMFYSA-N 0 1 313.382 3.695 20 30 DHEDMN N#Cc1cc(F)ccc1CN[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000181228205 1022996096 /nfs/dbraw/zinc/99/60/96/1022996096.db2.gz ZUYGAIKJPSNULZ-QRWLVFNGSA-N 0 1 324.399 3.955 20 30 DHEDMN CCCCCCNC(=O)C(C#N)C(=O)C1CCC(C)(C)CC1 ZINC000768763464 1023014204 /nfs/dbraw/zinc/01/42/04/1023014204.db2.gz OHFTUSXSAAXVRZ-HNNXBMFYSA-N 0 1 306.450 3.608 20 30 DHEDMN C=CC[C@@H]1CCCN(C(=O)c2cccc(Br)c2O)C1 ZINC000617782181 1023054197 /nfs/dbraw/zinc/05/41/97/1023054197.db2.gz ZXQWEVZEGLMQNJ-LLVKDONJSA-N 0 1 324.218 3.583 20 30 DHEDMN C#CCOc1ccc(CN(CC=C)Cc2cccc(C#N)c2)cc1 ZINC000769107447 1023085631 /nfs/dbraw/zinc/08/56/31/1023085631.db2.gz VOTYYLONCQJQEW-UHFFFAOYSA-N 0 1 316.404 3.758 20 30 DHEDMN N#CC(C(=O)Nc1cccc2ccccc21)C(=O)[C@@H]1CC12CCC2 ZINC000759832500 1023087274 /nfs/dbraw/zinc/08/72/74/1023087274.db2.gz FAYMKVYJOGUJDA-HOTGVXAUSA-N 0 1 318.376 3.677 20 30 DHEDMN COc1ccc(C)cc1C(C)N=Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000769822826 1023212610 /nfs/dbraw/zinc/21/26/10/1023212610.db2.gz MRPVUYISUSMXGV-UHFFFAOYSA-N 0 1 317.320 3.887 20 30 DHEDMN C[C@H]1Cc2ccccc2C1N=Nc1ccnc(Br)c1 ZINC000769801195 1023217596 /nfs/dbraw/zinc/21/75/96/1023217596.db2.gz JKILCYCAYSMQKT-JTQLQIEISA-N 0 1 316.202 3.853 20 30 DHEDMN C[C@@H]1Cc2ccccc2C1N=Nc1ccnc(Br)c1 ZINC000769801196 1023217938 /nfs/dbraw/zinc/21/79/38/1023217938.db2.gz JKILCYCAYSMQKT-SNVBAGLBSA-N 0 1 316.202 3.853 20 30 DHEDMN COc1cc(C(C)N=Nc2c(C)cccc2F)c(OC)cc1O ZINC000769828663 1023224711 /nfs/dbraw/zinc/22/47/11/1023224711.db2.gz UOHXWQAHUNCFPE-UHFFFAOYSA-N 0 1 318.348 3.693 20 30 DHEDMN C[C@H](NCc1cc(Cl)ccc1OCC#N)c1cccc(O)c1 ZINC000769905789 1023230881 /nfs/dbraw/zinc/23/08/81/1023230881.db2.gz XWFUAONPAIKRBX-LBPRGKRZSA-N 0 1 316.788 3.799 20 30 DHEDMN C#CC[C@@H]1CCCN(Cc2sc(C)nc2C(F)(F)F)C1 ZINC000829810892 1023389871 /nfs/dbraw/zinc/38/98/71/1023389871.db2.gz VWACAZSEAVIUDG-LLVKDONJSA-N 0 1 302.365 3.706 20 30 DHEDMN C#Cc1cccc(N(Cc2cccs2)Cc2n[nH]c(CC)n2)c1 ZINC000771762100 1023471515 /nfs/dbraw/zinc/47/15/15/1023471515.db2.gz GPBMDUIUIIKNPZ-UHFFFAOYSA-N 0 1 322.437 3.617 20 30 DHEDMN CO[C@@H](C(=O)C(C#N)c1nc2cc(Cl)ccc2s1)C1CC1 ZINC000796653808 1023535236 /nfs/dbraw/zinc/53/52/36/1023535236.db2.gz ZZQFNVAADZGKPD-IINYFYTJSA-N 0 1 320.801 3.551 20 30 DHEDMN CCOc1ncccc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000093243640 1023548987 /nfs/dbraw/zinc/54/89/87/1023548987.db2.gz DMMUTRUSGPIPJY-HNNXBMFYSA-N 0 1 317.348 3.519 20 30 DHEDMN CCOc1ncccc1C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000093243640 1023548997 /nfs/dbraw/zinc/54/89/97/1023548997.db2.gz DMMUTRUSGPIPJY-HNNXBMFYSA-N 0 1 317.348 3.519 20 30 DHEDMN Cc1cccc2nc([C@H](C#N)C(=O)C=C3CCSCC3)[nH]c21 ZINC000772666102 1023580585 /nfs/dbraw/zinc/58/05/85/1023580585.db2.gz LFVRMJIKMXKQMK-CYBMUJFWSA-N 0 1 311.410 3.501 20 30 DHEDMN C=CC[C@@H]1CC[N@H+](Cc2cc(=O)oc3cc([O-])c(Cl)cc23)C1 ZINC000859446190 1033143311 /nfs/dbraw/zinc/14/33/11/1033143311.db2.gz WUFMOGRLSREDGH-LLVKDONJSA-N 0 1 319.788 3.550 20 30 DHEDMN CC(=NNC1CCCCC1)c1ccc(N2CCCC2)cc1O ZINC000786043603 1023655605 /nfs/dbraw/zinc/65/56/05/1023655605.db2.gz OPTPHEJEJZGZMR-UHFFFAOYSA-N 0 1 301.434 3.639 20 30 DHEDMN N#CC(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)c1ccccn1 ZINC000786298986 1023677469 /nfs/dbraw/zinc/67/74/69/1023677469.db2.gz LUDNVLTYSGVKIC-MXWKQRLJSA-N 0 1 302.786 3.776 20 30 DHEDMN C[C@H](OC(=O)[C@H]1CCCN1C1CCCC1)c1cccc(C#N)c1 ZINC000786883487 1023738036 /nfs/dbraw/zinc/73/80/36/1023738036.db2.gz RCGFNMZXASNKCL-KBXCAEBGSA-N 0 1 312.413 3.569 20 30 DHEDMN COc1ccc(CN[C@@H](C)c2cnn(C(C)C)c2C)cc1C#N ZINC000786921369 1023738068 /nfs/dbraw/zinc/73/80/68/1023738068.db2.gz AMZQDPSOTIAFIM-ZDUSSCGKSA-N 0 1 312.417 3.504 20 30 DHEDMN CC(=NNc1cc(Cl)nc(C)n1)c1csc(Cl)c1 ZINC000787157050 1023771466 /nfs/dbraw/zinc/77/14/66/1023771466.db2.gz DFFYHJJICIIYNI-UHFFFAOYSA-N 0 1 301.202 3.989 20 30 DHEDMN Clc1ccccc1C#CCN1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661874054 1023789185 /nfs/dbraw/zinc/78/91/85/1023789185.db2.gz HHNDGHXAOIXZJG-HKUYNNGSSA-N 0 1 317.860 3.973 20 30 DHEDMN N#C[C@H](C(=O)c1cnc(-c2ccccc2)s1)c1ccccn1 ZINC000049458219 1023854611 /nfs/dbraw/zinc/85/46/11/1023854611.db2.gz OXENSDVWORRRNE-ZDUSSCGKSA-N 0 1 305.362 3.695 20 30 DHEDMN N#CC(C(=O)c1cnc(-c2ccccc2)s1)c1ccccn1 ZINC000049458219 1023854628 /nfs/dbraw/zinc/85/46/28/1023854628.db2.gz OXENSDVWORRRNE-ZDUSSCGKSA-N 0 1 305.362 3.695 20 30 DHEDMN O=C(/C=C/c1ncc(C(F)(F)F)s1)c1ccc(O)c(F)c1 ZINC000788354888 1023874660 /nfs/dbraw/zinc/87/46/60/1023874660.db2.gz JKMWYDUPVVQSEN-ONEGZZNKSA-N 0 1 317.263 3.903 20 30 DHEDMN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)Nc1cc(F)ccc1C ZINC000662078177 1023889501 /nfs/dbraw/zinc/88/95/01/1023889501.db2.gz CHGVKXDSCOSTPD-BMFZPTHFSA-N 0 1 302.393 3.644 20 30 DHEDMN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000662086331 1023892830 /nfs/dbraw/zinc/89/28/30/1023892830.db2.gz RFKKAFZDWNMDHQ-HRCADAONSA-N 0 1 314.429 3.514 20 30 DHEDMN C=CCC[C@H](NC(=O)[C@@H]1CCCc2[nH]ncc21)c1ccccc1 ZINC000133956806 1033171475 /nfs/dbraw/zinc/17/14/75/1033171475.db2.gz MLUXTRXDMOTNIH-WBVHZDCISA-N 0 1 309.413 3.653 20 30 DHEDMN C#CCCCCCCN[C@H](c1nccn1C)c1cccc(F)c1 ZINC000876873044 1033172626 /nfs/dbraw/zinc/17/26/26/1033172626.db2.gz UWLPGXGEMXCHMI-SFHVURJKSA-N 0 1 313.420 3.822 20 30 DHEDMN N#Cc1ccc2c(c1)CC[C@H]2N[C@H]1CCc2ccc(Cl)nc21 ZINC000788793247 1023939567 /nfs/dbraw/zinc/93/95/67/1023939567.db2.gz BMJQUMBOFNOQKS-CVEARBPZSA-N 0 1 309.800 3.871 20 30 DHEDMN Cc1nc(C(C)C)sc1C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000075830933 1023945952 /nfs/dbraw/zinc/94/59/52/1023945952.db2.gz HNXXHRUEHPKYCJ-LLVKDONJSA-N 0 1 324.409 3.941 20 30 DHEDMN C=C(C)CN(CC)[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000789307349 1024041726 /nfs/dbraw/zinc/04/17/26/1024041726.db2.gz XJLLFRXDSWUQPP-KRWDZBQOSA-N 0 1 300.446 3.615 20 30 DHEDMN C=CCN(CCCc1nc(C)no1)Cc1ccc(Cl)s1 ZINC000266852782 1024044075 /nfs/dbraw/zinc/04/40/75/1024044075.db2.gz DBCUSLGGZFFDBF-UHFFFAOYSA-N 0 1 311.838 3.714 20 30 DHEDMN CN(CC(=O)c1cn(CCC#N)c2ccccc12)C[C@@H]1CC1(C)C ZINC000662348613 1024120558 /nfs/dbraw/zinc/12/05/58/1024120558.db2.gz WIUWAHPMVJTNGQ-HNNXBMFYSA-N 0 1 323.440 3.716 20 30 DHEDMN CCSCc1ccccc1C(=O)Nc1cc(C#N)ccc1O ZINC000790007258 1024202085 /nfs/dbraw/zinc/20/20/85/1024202085.db2.gz PLRUNPYAKSQWFE-UHFFFAOYSA-N 0 1 312.394 3.769 20 30 DHEDMN Cc1ccc(C(=O)Nc2cc(C#N)ccc2O)c(F)c1Cl ZINC000790007323 1024203147 /nfs/dbraw/zinc/20/31/47/1024203147.db2.gz QODXOVYULOXOEQ-UHFFFAOYSA-N 0 1 304.708 3.617 20 30 DHEDMN CC(C)(C)C1CCN(N=Cc2cc(-c3cccnc3)[nH]n2)CC1 ZINC000790181481 1024235982 /nfs/dbraw/zinc/23/59/82/1024235982.db2.gz QUURAIHYCQYQCB-UHFFFAOYSA-N 0 1 311.433 3.564 20 30 DHEDMN C[C@@H](CCCC#N)NC1(c2ccc(C(F)(F)F)cc2)COC1 ZINC001172482664 1033195434 /nfs/dbraw/zinc/19/54/34/1033195434.db2.gz JAYGZABHVATPTH-LBPRGKRZSA-N 0 1 312.335 3.603 20 30 DHEDMN CCOc1c(Cl)cc(CN=Nc2ncccc2C)cc1OC ZINC000790187310 1024240305 /nfs/dbraw/zinc/24/03/05/1024240305.db2.gz WJDRQLPLOPCZTJ-UHFFFAOYSA-N 0 1 319.792 3.897 20 30 DHEDMN C=CCC[C@@H](NC(=O)N[C@@H]1CCCc2cn[nH]c21)c1ccccc1 ZINC000269344148 1024265016 /nfs/dbraw/zinc/26/50/16/1024265016.db2.gz JQAOFMZNQWEKPE-IAGOWNOFSA-N 0 1 324.428 3.794 20 30 DHEDMN C[C@@H](CCCC#N)NCc1ncc(Cl)cc1Br ZINC001172486919 1033198402 /nfs/dbraw/zinc/19/84/02/1033198402.db2.gz FCCYNLPIQAQYSQ-VIFPVBQESA-N 0 1 316.630 3.669 20 30 DHEDMN Cn1ccnc1NN=C(CCc1ccccc1)c1ccccc1 ZINC000790299529 1024276865 /nfs/dbraw/zinc/27/68/65/1024276865.db2.gz DLNYRRHHLYGPCG-UHFFFAOYSA-N 0 1 304.397 3.869 20 30 DHEDMN Cn1cc[nH+]c1[N-]N=Cc1ccc(-c2cccs2)cc1F ZINC000790302568 1024278588 /nfs/dbraw/zinc/27/85/88/1024278588.db2.gz VQMIBXQBZQIIBR-UHFFFAOYSA-N 0 1 300.362 3.734 20 30 DHEDMN C=CCC[C@H](COc1ccccc1)NCc1nnc(CC)s1 ZINC000883222886 1024299771 /nfs/dbraw/zinc/29/97/71/1024299771.db2.gz CRGOQBSWTHIXKD-CQSZACIVSA-N 0 1 317.458 3.604 20 30 DHEDMN C=CCC[C@H](COc1ccccc1)N[C@H]1C[C@H](C)n2ccnc21 ZINC000883227141 1024301078 /nfs/dbraw/zinc/30/10/78/1024301078.db2.gz LUVFWSCLKSROHB-JZXOWHBKSA-N 0 1 311.429 3.892 20 30 DHEDMN C=CCC[C@@H](COc1ccccc1)NCc1coc(CC)n1 ZINC000883227432 1024302564 /nfs/dbraw/zinc/30/25/64/1024302564.db2.gz QOYBMUJVOCZEDT-HNNXBMFYSA-N 0 1 300.402 3.740 20 30 DHEDMN CN(CCc1ccccc1)Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000159340078 1024336981 /nfs/dbraw/zinc/33/69/81/1024336981.db2.gz PRULXWNOPISNCE-UHFFFAOYSA-N 0 1 317.392 3.888 20 30 DHEDMN C=CCSCCN[C@@H](C)c1ncc(-c2ccccc2)n1C ZINC000453134924 1024364176 /nfs/dbraw/zinc/36/41/76/1024364176.db2.gz KLJQHVDWYFEHQX-AWEZNQCLSA-N 0 1 301.459 3.657 20 30 DHEDMN C#CC[C@@H](NCc1cnc(N(CC)CC)s1)c1ccccc1 ZINC000270189155 1024364002 /nfs/dbraw/zinc/36/40/02/1024364002.db2.gz KQJIWQXOZSSIKR-QGZVFWFLSA-N 0 1 313.470 3.844 20 30 DHEDMN C#CCCOc1ccc(CN[C@H](C)c2ccccc2OC)cc1 ZINC000264952247 1033206704 /nfs/dbraw/zinc/20/67/04/1033206704.db2.gz LCZAETANTRQHGS-MRXNPFEDSA-N 0 1 309.409 3.948 20 30 DHEDMN C#CCOc1ccccc1CNCc1ccc(OCC2CC2)cc1 ZINC000790964215 1024407339 /nfs/dbraw/zinc/40/73/39/1024407339.db2.gz TYGGYJFLDVPZMG-UHFFFAOYSA-N 0 1 321.420 3.777 20 30 DHEDMN C=C(C)C[C@H](CO)N[C@H](C)c1csc(-c2ccccc2)n1 ZINC000883392088 1024424754 /nfs/dbraw/zinc/42/47/54/1024424754.db2.gz ACMPVYOENYDZJL-UKRRQHHQSA-N 0 1 302.443 3.788 20 30 DHEDMN C=C1CCC(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC001126286768 1024427962 /nfs/dbraw/zinc/42/79/62/1024427962.db2.gz VNBCHAXCIXHINY-IBGZPJMESA-N 0 1 312.457 3.514 20 30 DHEDMN CCCC[C@@H](ON=C(C)C)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000791051153 1024434984 /nfs/dbraw/zinc/43/49/84/1024434984.db2.gz BXRZDXPBSZDQLJ-MRXNPFEDSA-N 0 1 316.405 3.781 20 30 DHEDMN N#Cc1ccc(CN2CCC(c3ccc(F)c(F)c3)CC2)o1 ZINC000271153776 1024462181 /nfs/dbraw/zinc/46/21/81/1024462181.db2.gz GFQXSZGTXIAIDI-UHFFFAOYSA-N 0 1 302.324 3.809 20 30 DHEDMN C[C@@H]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC12CCC2 ZINC000271351807 1024493151 /nfs/dbraw/zinc/49/31/51/1024493151.db2.gz OSUMIWHEPHBPMK-CQSZACIVSA-N 0 1 322.412 3.620 20 30 DHEDMN C=C(Cl)CN[C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000271515150 1024528789 /nfs/dbraw/zinc/52/87/89/1024528789.db2.gz PNMYPMSGLKUOPI-JTQLQIEISA-N 0 1 320.742 3.765 20 30 DHEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@H]1c1ccsc1 ZINC000339140516 1024577023 /nfs/dbraw/zinc/57/70/23/1024577023.db2.gz FLCIEHOFMBKUPD-ZBFHGGJFSA-N 0 1 306.475 3.698 20 30 DHEDMN COc1ccccc1[C@@H]1CC[C@H](C)CN1Cc1cc(C#N)n(C)c1 ZINC000348715438 1024608856 /nfs/dbraw/zinc/60/88/56/1024608856.db2.gz PTLMIBZCLJKVJV-KXBFYZLASA-N 0 1 323.440 3.879 20 30 DHEDMN CCc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000127451436 1024669199 /nfs/dbraw/zinc/66/91/99/1024669199.db2.gz ZYGWSIUTDPTCDJ-CABCVRRESA-N 0 1 321.424 3.798 20 30 DHEDMN C[C@@H]1C[C@H](C)[C@@H](C)N(CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000475727703 1024685368 /nfs/dbraw/zinc/68/53/68/1024685368.db2.gz PGYKFZKSPMDRGL-FRRDWIJNSA-N 0 1 319.836 3.517 20 30 DHEDMN O=C1c2ccc(F)cc2CC/C1=C/c1cc(O)ccc1[N+](=O)[O-] ZINC000772806199 1024723209 /nfs/dbraw/zinc/72/32/09/1024723209.db2.gz KSGVATXLISZFOM-XFFZJAGNSA-N 0 1 313.284 3.652 20 30 DHEDMN Cc1cc(F)ccc1C(=O)/C=C/c1cc(O)ccc1[N+](=O)[O-] ZINC000772808635 1024737406 /nfs/dbraw/zinc/73/74/06/1024737406.db2.gz UYKBWUPGNBDTOJ-FARCUNLSSA-N 0 1 301.273 3.644 20 30 DHEDMN C#CCOc1ccccc1CN[C@@H]1CCOc2c(C)cccc21 ZINC000188879066 1024759858 /nfs/dbraw/zinc/75/98/58/1024759858.db2.gz GVHHYANTOVFZOW-GOSISDBHSA-N 0 1 307.393 3.620 20 30 DHEDMN N#Cc1csc(CN2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000349941548 1024769790 /nfs/dbraw/zinc/76/97/90/1024769790.db2.gz AQPQZCRAYVACNK-UHFFFAOYSA-N 0 1 320.421 3.785 20 30 DHEDMN CC[C@@H](NCc1c(C)cc(C)nc1OC)c1ccc(C#N)cc1 ZINC000618568596 1024836106 /nfs/dbraw/zinc/83/61/06/1024836106.db2.gz JAUFZWJOYFETFK-GOSISDBHSA-N 0 1 309.413 3.820 20 30 DHEDMN Cc1ccc(NN=C(C[C@H]2CCOC2)c2ccc(F)cc2)nc1 ZINC000793004498 1024863330 /nfs/dbraw/zinc/86/33/30/1024863330.db2.gz LVCXFYVZCHIDPI-CQSZACIVSA-N 0 1 313.376 3.772 20 30 DHEDMN COc1cc(C)cc2c1OCCC2=NNc1cccc(Cl)n1 ZINC000793163213 1024907269 /nfs/dbraw/zinc/90/72/69/1024907269.db2.gz ZMMXXTNPYVXDBA-UHFFFAOYSA-N 0 1 317.776 3.651 20 30 DHEDMN CC1(C)C(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)C1(C)C ZINC000747107917 1024922166 /nfs/dbraw/zinc/92/21/66/1024922166.db2.gz JPUUAQKJSOCFJW-JTQLQIEISA-N 0 1 318.804 3.670 20 30 DHEDMN Fc1ccc(-n2cc(C=NNc3cccc(Cl)n3)cn2)cc1 ZINC000793173963 1024922728 /nfs/dbraw/zinc/92/27/28/1024922728.db2.gz FNEFLJKGUXVMMU-UHFFFAOYSA-N 0 1 315.739 3.506 20 30 DHEDMN COc1ccccc1O[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000353266842 1025007585 /nfs/dbraw/zinc/00/75/85/1025007585.db2.gz LAHJZFZQGGDXPV-SFHVURJKSA-N 0 1 322.408 3.610 20 30 DHEDMN CCCOc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cn1 ZINC000353406837 1025057829 /nfs/dbraw/zinc/05/78/29/1025057829.db2.gz AQLIBQSLJJXIFV-GOSISDBHSA-N 0 1 307.397 3.519 20 30 DHEDMN N#Cc1ccc2c(c1)[C@@H](NCc1cnn(-c3ccccc3)c1)CC2 ZINC000353416538 1025058521 /nfs/dbraw/zinc/05/85/21/1025058521.db2.gz YHQBBRBKDOSDLR-FQEVSTJZSA-N 0 1 314.392 3.521 20 30 DHEDMN N#Cc1ccc2c(c1)[C@H](NCc1cnn(-c3ccccc3)c1)CC2 ZINC000353416540 1025059665 /nfs/dbraw/zinc/05/96/65/1025059665.db2.gz YHQBBRBKDOSDLR-HXUWFJFHSA-N 0 1 314.392 3.521 20 30 DHEDMN FC(F)(F)c1ccc(C#CCNC[C@H]2CC2(Cl)Cl)cc1 ZINC000877158051 1033258437 /nfs/dbraw/zinc/25/84/37/1033258437.db2.gz DGEXZVFAEAMHOD-GFCCVEGCSA-N 0 1 322.157 3.840 20 30 DHEDMN CCCC(C#N)(CCC)NC(=O)c1ccc(CN(CC)CC)o1 ZINC000610777628 1025130067 /nfs/dbraw/zinc/13/00/67/1025130067.db2.gz GWIKMVCKRLBRJW-UHFFFAOYSA-N 0 1 319.449 3.714 20 30 DHEDMN C=CCCn1cc(CN2C[C@@H](c3ccc(C)cc3)C[C@H]2C)nn1 ZINC000653648604 1025152896 /nfs/dbraw/zinc/15/28/96/1025152896.db2.gz AHTNFGQLFIUHQP-AEFFLSMTSA-N 0 1 310.445 3.541 20 30 DHEDMN C=CCOc1ccc(C[N@@H+]2CCC[C@](C)(O)CC2)cc1Cl ZINC000279703674 1025162146 /nfs/dbraw/zinc/16/21/46/1025162146.db2.gz RNBRLGOPLACXFL-KRWDZBQOSA-N 0 1 309.837 3.642 20 30 DHEDMN CC(C)N(C)CC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000104417891 1025229408 /nfs/dbraw/zinc/22/94/08/1025229408.db2.gz UYJNGEBVQQHVKT-UHFFFAOYSA-N 0 1 323.396 3.629 20 30 DHEDMN Cc1cccc(CN(C)Cc2cccc(OCCCC#N)c2)n1 ZINC000353752650 1025236523 /nfs/dbraw/zinc/23/65/23/1025236523.db2.gz SNPSWHTYSCPKJK-UHFFFAOYSA-N 0 1 309.413 3.705 20 30 DHEDMN N#Cc1cc(CSc2nc(C=Cc3ccccc3)n[nH]2)ccn1 ZINC000610956018 1025250596 /nfs/dbraw/zinc/25/05/96/1025250596.db2.gz GWCDWNANZLYODV-VOTSOKGWSA-N 0 1 319.393 3.534 20 30 DHEDMN Cc1ccc(-c2cc(C(=O)N3CCCC(C)(C)[C@@H]3C#N)n[nH]2)cc1 ZINC000408401026 1025363445 /nfs/dbraw/zinc/36/34/45/1025363445.db2.gz ZWJTUEYNMGOMCF-KRWDZBQOSA-N 0 1 322.412 3.540 20 30 DHEDMN N#C[C@H](C(=O)c1occ2c1CCC2)c1nccc2ccccc21 ZINC000354177240 1025376318 /nfs/dbraw/zinc/37/63/18/1025376318.db2.gz OXMVXKPAAHGWPV-INIZCTEOSA-N 0 1 302.333 3.807 20 30 DHEDMN N#CC(C(=O)c1occ2c1CCC2)c1nccc2ccccc21 ZINC000354177240 1025376332 /nfs/dbraw/zinc/37/63/32/1025376332.db2.gz OXMVXKPAAHGWPV-INIZCTEOSA-N 0 1 302.333 3.807 20 30 DHEDMN COc1ccc(C(=O)/C=C\c2cnc(Cl)c(C)c2)c(O)c1 ZINC000760263183 1025384120 /nfs/dbraw/zinc/38/41/20/1025384120.db2.gz FBOAAXQNCDRNHD-UTCJRWHESA-N 0 1 303.745 3.654 20 30 DHEDMN N#CC1(C[C@H](O)C[N@H+]2CCC[C@H]2c2ccccc2Cl)CCC1 ZINC000885961063 1025420391 /nfs/dbraw/zinc/42/03/91/1025420391.db2.gz TZJSAAGVXRRBRJ-YOEHRIQHSA-N 0 1 318.848 3.922 20 30 DHEDMN Cc1cccc(CNCc2cccc(C#N)c2)c1Br ZINC000190317997 1025429831 /nfs/dbraw/zinc/42/98/31/1025429831.db2.gz PNEPPQTYZXTNOL-UHFFFAOYSA-N 0 1 315.214 3.919 20 30 DHEDMN N#CC(C(=O)c1sccc1-c1ccccc1)c1ccncn1 ZINC000354461785 1025434747 /nfs/dbraw/zinc/43/47/47/1025434747.db2.gz GOBSMSORVIUPAF-CQSZACIVSA-N 0 1 305.362 3.695 20 30 DHEDMN CC(C)c1cccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)n1 ZINC000354518030 1025448199 /nfs/dbraw/zinc/44/81/99/1025448199.db2.gz ZYHNHZYVFYKFHP-GFCCVEGCSA-N 0 1 304.353 3.571 20 30 DHEDMN C[C@@H](NC[C@H](O)CC1(C#N)CCC1)c1c(F)cccc1Cl ZINC000886112350 1025511417 /nfs/dbraw/zinc/51/14/17/1025511417.db2.gz VSCXHVPEKADHJO-VXGBXAGGSA-N 0 1 310.800 3.575 20 30 DHEDMN C=CCC[C@H](O)C[N@H+](C)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000127020728 1025528433 /nfs/dbraw/zinc/52/84/33/1025528433.db2.gz RETFJANLLAZVKU-OALUTQOASA-N 0 1 314.404 3.569 20 30 DHEDMN C=CCC[C@H](O)CN(C)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000127020728 1025528444 /nfs/dbraw/zinc/52/84/44/1025528444.db2.gz RETFJANLLAZVKU-OALUTQOASA-N 0 1 314.404 3.569 20 30 DHEDMN CC1(C)CN(C[C@@H](O)CC2(C#N)CCC2)[C@@H]1c1cccs1 ZINC000886207485 1025557148 /nfs/dbraw/zinc/55/71/48/1025557148.db2.gz DSSHBVFLBKPRRF-DZGCQCFKSA-N 0 1 304.459 3.576 20 30 DHEDMN N#CCc1cccc(C(=O)Nc2cc(Cl)c(O)cc2F)c1 ZINC000805255618 1025565945 /nfs/dbraw/zinc/56/59/45/1025565945.db2.gz VGDRVWQKSBVNBS-UHFFFAOYSA-N 0 1 304.708 3.503 20 30 DHEDMN CC[C@H](NC1CC(C#N)(c2ccccc2)C1)c1c(C)noc1C ZINC000128226896 1025572162 /nfs/dbraw/zinc/57/21/62/1025572162.db2.gz RSJLXJYOLVLWDM-HFCFLWKCSA-N 0 1 309.413 3.956 20 30 DHEDMN C#CC[C@@H]1CCN([C@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000886361442 1025603091 /nfs/dbraw/zinc/60/30/91/1025603091.db2.gz IIIHGWADZOZVRN-CHWSQXEVSA-N 0 1 303.356 3.838 20 30 DHEDMN Cc1nn(-c2ccccc2C)c(C)c1CN1CCC(C#N)CC1 ZINC000893984950 1025641830 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CCc1cccc(CN2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000367067776 1028133057 /nfs/dbraw/zinc/13/30/57/1028133057.db2.gz SZDHMUHSUNYNHS-UHFFFAOYSA-N 0 1 305.425 3.701 20 30 DHEDMN N#CCCC[C@@H](NCc1cnc(Cl)cn1)c1ccccc1 ZINC000814661337 1028141469 /nfs/dbraw/zinc/14/14/69/1028141469.db2.gz XMABCAFKFXGEDI-OAHLLOKOSA-N 0 1 300.793 3.655 20 30 DHEDMN CC1(C)CC(=NNc2nc3ccccc3[nH]2)c2cc(O)ccc2O1 ZINC000814708982 1028167637 /nfs/dbraw/zinc/16/76/37/1028167637.db2.gz PNYQILCQUWWELY-UHFFFAOYSA-N 0 1 322.368 3.646 20 30 DHEDMN CC[C@@H](C=Nn1c(=O)c2ccccc2[nH]c1=S)c1ccccc1 ZINC000814780781 1028214840 /nfs/dbraw/zinc/21/48/40/1028214840.db2.gz JGURJPFSNQARQT-ZDUSSCGKSA-N 0 1 323.421 3.713 20 30 DHEDMN CCC(C=Nn1c(=O)c2ccccc2[nH]c1=S)(CC)CC ZINC000814780902 1028215498 /nfs/dbraw/zinc/21/54/98/1028215498.db2.gz MIKFLQWTHDAYEM-UHFFFAOYSA-N 0 1 303.431 3.736 20 30 DHEDMN O=[N+]([O-])c1ccc(NN=Cc2nc3c(s2)CCC3)c(Cl)c1 ZINC000814833047 1028235631 /nfs/dbraw/zinc/23/56/31/1028235631.db2.gz VQHLDCKDSFRACK-UHFFFAOYSA-N 0 1 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C[C@@H](CCC#N)N1CCN(c2ccc(Cl)c(F)c2)C[C@H]1C ZINC001170845835 1029023139 /nfs/dbraw/zinc/02/31/39/1029023139.db2.gz FEDITHCIUBJFHX-QWHCGFSZSA-N 0 1 309.816 3.682 20 30 DHEDMN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cn2ccccc2n1 ZINC000585726574 1029032969 /nfs/dbraw/zinc/03/29/69/1029032969.db2.gz MVMMGXGVJDJEKR-SUMWQHHRSA-N 0 1 302.381 3.544 20 30 DHEDMN N#CCCC1CCN(Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000568270890 1029034952 /nfs/dbraw/zinc/03/49/52/1029034952.db2.gz FKZPYMWFDTVYIZ-HNNXBMFYSA-N 0 1 305.447 3.510 20 30 DHEDMN CC[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)CC(C)C ZINC000120106836 1029059983 /nfs/dbraw/zinc/05/99/83/1029059983.db2.gz RBDATMCZZBKHAZ-UHFFFAOYSA-N 0 1 321.852 3.565 20 30 DHEDMN COc1ccc([C@@H](C)NCc2ccc(C#N)cc2F)cc1F ZINC000120143803 1029071926 /nfs/dbraw/zinc/07/19/26/1029071926.db2.gz TZJCBYGEGARPIR-LLVKDONJSA-N 0 1 302.324 3.696 20 30 DHEDMN CC[C@](C)(C#N)NC(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC000817439181 1029168446 /nfs/dbraw/zinc/16/84/46/1029168446.db2.gz 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CCCCCCCCCNC(=O)c1cccc2nc(CO)[nH]c21 ZINC001136166688 1029435336 /nfs/dbraw/zinc/43/53/36/1029435336.db2.gz UZWRIMAUAWRDEW-UHFFFAOYSA-N 0 1 317.433 3.536 20 30 DHEDMN C=CCCCN(C)[C@@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000121161128 1029535785 /nfs/dbraw/zinc/53/57/85/1029535785.db2.gz VHWRRQZIZDVQOO-NSHDSACASA-N 0 1 304.463 3.849 20 30 DHEDMN CCCCCCCCC/C=C/C(=O)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000819719640 1029601813 /nfs/dbraw/zinc/60/18/13/1029601813.db2.gz FEASVUSKLOSNIQ-SIFUEBAJSA-N 0 1 318.465 3.818 20 30 DHEDMN C[C@@H](NN=Cc1ccc(N2CCCCC2)cc1)c1ccncc1 ZINC000819815629 1029613125 /nfs/dbraw/zinc/61/31/25/1029613125.db2.gz SLQXSNYHBKVKCT-MRXNPFEDSA-N 0 1 308.429 3.757 20 30 DHEDMN C[C@@H]1CCCC[C@@H]1C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000819945987 1029631172 /nfs/dbraw/zinc/63/11/72/1029631172.db2.gz XWUOQMZCAFEJSY-AGIUHOORSA-N 0 1 318.804 3.814 20 30 DHEDMN CN1Cc2ccc(NCc3cccc(OCCCC#N)c3)cc2C1 ZINC000121314834 1029671882 /nfs/dbraw/zinc/67/18/82/1029671882.db2.gz NZACXWFSYADSLJ-UHFFFAOYSA-N 0 1 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XLMYEYOEFFOVBM-UHFFFAOYSA-N 0 1 311.297 3.796 20 30 DHEDMN Cc1oc(NC(=O)[C@H](C)N2CCCC(C)(C)CC2)c(C#N)c1C ZINC000357772758 1030181546 /nfs/dbraw/zinc/18/15/46/1030181546.db2.gz CUDKBDGWVCSQLZ-ZDUSSCGKSA-N 0 1 317.433 3.607 20 30 DHEDMN CCO[C@@H]1C[C@@H](N(C)Cc2cn3ccccc3c2C#N)C12CCC2 ZINC000357801942 1030198829 /nfs/dbraw/zinc/19/88/29/1030198829.db2.gz KWPHXZGUCIWGNE-RTBURBONSA-N 0 1 323.440 3.590 20 30 DHEDMN C=CCCCCCN(C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000533289045 1030250169 /nfs/dbraw/zinc/25/01/69/1030250169.db2.gz QCZXDHMDKNOION-AWEZNQCLSA-N 0 1 319.405 3.600 20 30 DHEDMN Cc1ccc2nc([C@@H]3CCCN(c4cc(C#N)ccn4)C3)[nH]c2c1 ZINC000291029058 1030297765 /nfs/dbraw/zinc/29/77/65/1030297765.db2.gz YNRXZVQCBDZGMT-OAHLLOKOSA-N 0 1 317.396 3.522 20 30 DHEDMN C[N@@H+](CCC1(C#N)CCCCC1)C[C@](C)(O)c1ccccc1 ZINC000823611968 1030339855 /nfs/dbraw/zinc/33/98/55/1030339855.db2.gz CHIYMVRJXNSJBG-SFHVURJKSA-N 0 1 300.446 3.690 20 30 DHEDMN COc1ccc2c(c1F)CC[C@H]2NC1(c2cccc(C#N)c2)CC1 ZINC000558160355 1030439252 /nfs/dbraw/zinc/43/92/52/1030439252.db2.gz ZPMIJRHCRHXUQC-QGZVFWFLSA-N 0 1 322.383 3.972 20 30 DHEDMN Fc1ccc(COc2cccc(C=NNc3cncnc3)c2)cc1 ZINC000794976255 1030468872 /nfs/dbraw/zinc/46/88/72/1030468872.db2.gz ICUHKXJPCKRDAD-UHFFFAOYSA-N 0 1 322.343 3.641 20 30 DHEDMN C[C@H](NCc1ccc(N2CCCC2)nc1)c1ccc(C#N)cc1F ZINC000358567083 1030539648 /nfs/dbraw/zinc/53/96/48/1030539648.db2.gz JCQHJEKLFRRPBF-AWEZNQCLSA-N 0 1 324.403 3.543 20 30 DHEDMN Cc1ccc2nc(CN[C@H](C)c3ccc(C#N)cc3F)[nH]c2c1 ZINC000358573115 1030541382 /nfs/dbraw/zinc/54/13/82/1030541382.db2.gz QSFILLLFNSUXCF-GFCCVEGCSA-N 0 1 308.360 3.733 20 30 DHEDMN Fc1cccc(NN=Cc2ccc(Br)c(F)c2)n1 ZINC000795006136 1030554057 /nfs/dbraw/zinc/55/40/57/1030554057.db2.gz DWCFTXPGDJTXGL-UHFFFAOYSA-N 0 1 312.117 3.568 20 30 DHEDMN Fc1cccc(N=NCc2ccc(-c3ccncc3)cc2F)n1 ZINC000795007146 1030560275 /nfs/dbraw/zinc/56/02/75/1030560275.db2.gz REHLADPBQGDZMK-UHFFFAOYSA-N 0 1 310.307 3.868 20 30 DHEDMN Fc1cccc(NN=Cc2c(Cl)nc3cc(Cl)ccn32)n1 ZINC000795007101 1030561511 /nfs/dbraw/zinc/56/15/11/1030561511.db2.gz YSZOOANKNJTXOH-UHFFFAOYSA-N 0 1 324.146 3.621 20 30 DHEDMN CCOc1cc(C=NNc2cccc(F)n2)cc(Cl)c1OC ZINC000795007916 1030564881 /nfs/dbraw/zinc/56/48/81/1030564881.db2.gz REEBLRBZLCQENT-UHFFFAOYSA-N 0 1 323.755 3.727 20 30 DHEDMN CCC(CC)CN(CCC#N)CCC(=O)Nc1ccccc1 ZINC000072692933 1030577966 /nfs/dbraw/zinc/57/79/66/1030577966.db2.gz RJFODDHKLFTAGP-UHFFFAOYSA-N 0 1 301.434 3.667 20 30 DHEDMN C#CCOc1ccccc1CN[C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000824650744 1030599867 /nfs/dbraw/zinc/59/98/67/1030599867.db2.gz PUDWSLSUQQQRJN-CRAIPNDOSA-N 0 1 307.393 3.701 20 30 DHEDMN C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccnn1C1CCC1 ZINC000926370986 1030715057 /nfs/dbraw/zinc/71/50/57/1030715057.db2.gz UAWRBMSIGFUFNT-GFCCVEGCSA-N 0 1 314.820 3.984 20 30 DHEDMN C=C(Br)CNc1ccnc2cc(F)c(OC)cc21 ZINC000795081990 1030782992 /nfs/dbraw/zinc/78/29/92/1030782992.db2.gz UMNVPKPTUDBDNO-UHFFFAOYSA-N 0 1 311.154 3.703 20 30 DHEDMN C=CCCCN(C)[C@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000076733748 1030816582 /nfs/dbraw/zinc/81/65/82/1030816582.db2.gz DPLRUGPSRKDEQG-GFCCVEGCSA-N 0 1 303.431 3.521 20 30 DHEDMN CO[C@]1(C(F)(F)F)CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000614924920 1030857257 /nfs/dbraw/zinc/85/72/57/1030857257.db2.gz PELHRDJFESGZEH-IUODEOHRSA-N 0 1 312.335 3.663 20 30 DHEDMN N#C[C@H](C(=O)[C@@]12C[C@@H]1CCCC2)c1cc(C(F)(F)F)ccn1 ZINC000870379403 1030990946 /nfs/dbraw/zinc/99/09/46/1030990946.db2.gz SLPUYOLDJNZTRI-HUBLWGQQSA-N 0 1 308.303 3.857 20 30 DHEDMN Cc1csc(C(C#N)C(=O)c2ccn(Cc3ccccc3)c2)n1 ZINC000359505728 1030996389 /nfs/dbraw/zinc/99/63/89/1030996389.db2.gz RXWMZPILQRBFNB-INIZCTEOSA-N 0 1 321.405 3.791 20 30 DHEDMN CCN(Cc1n[nH]c(C(C)(C)C)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000292492733 1031033845 /nfs/dbraw/zinc/03/38/45/1031033845.db2.gz BKVKHSWUHRKDFE-ZDUSSCGKSA-N 0 1 311.433 3.557 20 30 DHEDMN CC(C)Oc1ccccc1CN(C)C[C@H](O)c1cccc(C#N)c1 ZINC000844370248 1031070266 /nfs/dbraw/zinc/07/02/66/1031070266.db2.gz POLNXQNYUZOXFQ-IBGZPJMESA-N 0 1 324.424 3.511 20 30 DHEDMN Cc1cccc(Cl)c1CN(C)C[C@H](O)c1cccc(C#N)c1 ZINC000844372119 1031071915 /nfs/dbraw/zinc/07/19/15/1031071915.db2.gz VBAYZRRYYCPPSI-SFHVURJKSA-N 0 1 314.816 3.686 20 30 DHEDMN C[C@@H](NCc1ccc(C#N)cn1)c1cccc(C(F)(F)F)c1 ZINC000615093031 1031083453 /nfs/dbraw/zinc/08/34/53/1031083453.db2.gz IYTHXWPYYXKVEB-LLVKDONJSA-N 0 1 305.303 3.823 20 30 DHEDMN CC(=NNc1cccc([N+](=O)[O-])c1C)c1cc(F)cc(F)c1O ZINC000757460709 1031099240 /nfs/dbraw/zinc/09/92/40/1031099240.db2.gz FTLKLISRRBNSIH-UHFFFAOYSA-N 0 1 321.283 3.723 20 30 DHEDMN C=CCCC(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000272067807 1031269680 /nfs/dbraw/zinc/26/96/80/1031269680.db2.gz BRJSHJSNWLWLOY-HNNXBMFYSA-N 0 1 316.449 3.525 20 30 DHEDMN CCN(Cc1cccc(C(F)(F)F)c1)Cc1ccc(C#N)cn1 ZINC001144166714 1031305962 /nfs/dbraw/zinc/30/59/62/1031305962.db2.gz RZUYGIIJJMCZMS-UHFFFAOYSA-N 0 1 319.330 3.994 20 30 DHEDMN C[C@@H](c1cccs1)N(Cc1ccccc1)C[C@H](O)CC#N ZINC000929402104 1031515091 /nfs/dbraw/zinc/51/50/91/1031515091.db2.gz MWTXPCHYWRGLNY-GOEBONIOSA-N 0 1 300.427 3.586 20 30 DHEDMN CCCO[C@H]1CCCN(Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000929606235 1031557844 /nfs/dbraw/zinc/55/78/44/1031557844.db2.gz VWCKJWJKADIQQQ-KRWDZBQOSA-N 0 1 306.837 3.993 20 30 DHEDMN CC(C)C[N@@H+](CCC#N)C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000929688310 1031576413 /nfs/dbraw/zinc/57/64/13/1031576413.db2.gz NUDRDGNHPPTJFV-CVEARBPZSA-N 0 1 323.481 3.551 20 30 DHEDMN C[C@H]1CN(CC2CCC(C#N)CC2)C[C@H](c2ccc(F)cc2)O1 ZINC000929709177 1031584900 /nfs/dbraw/zinc/58/49/00/1031584900.db2.gz KXAWQMLXQIHJFK-YHRBYZFPSA-N 0 1 316.420 3.917 20 30 DHEDMN C[C@H]1CC[C@H](C(=O)C(C#N)C(=O)Nc2ccccc2Cl)CC1 ZINC000845442705 1031586709 /nfs/dbraw/zinc/58/67/09/1031586709.db2.gz OOTUXHQEOALYET-AVGNSLFASA-N 0 1 318.804 3.814 20 30 DHEDMN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2C[C@H]2C2CCCC2)cc1 ZINC000845441686 1031587250 /nfs/dbraw/zinc/58/72/50/1031587250.db2.gz HAMLKSYIYAJSCC-OKZBNKHCSA-N 0 1 324.424 3.723 20 30 DHEDMN C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)C[C@H](C)O1 ZINC000929758580 1031600755 /nfs/dbraw/zinc/60/07/55/1031600755.db2.gz ZKCVRQZCTGYVLQ-QQBOBMDFSA-N 0 1 312.457 3.962 20 30 DHEDMN CC(=NO)c1ccc(NC(=N)c2ccc3cc(O)ccc3c2)cc1 ZINC001171185824 1031609043 /nfs/dbraw/zinc/60/90/43/1031609043.db2.gz LYEUBGBQWHIPLE-WSDLNYQXSA-N 0 1 319.364 3.781 20 30 DHEDMN N#Cc1ccc([C@@H]2CN(C[C@H]3C[C@H]3c3ccccc3)CCO2)cc1 ZINC000897596466 1031677622 /nfs/dbraw/zinc/67/76/22/1031677622.db2.gz QPMWMSVGCBWQPA-HKBOAZHASA-N 0 1 318.420 3.735 20 30 DHEDMN N#CC(C(=O)[C@@H]1C[C@H]1C1CCCC1)=C(O)C1(c2ccccc2)CC1 ZINC000845841772 1031741018 /nfs/dbraw/zinc/74/10/18/1031741018.db2.gz BRDRQMLVJRLREQ-RCCFBDPRSA-N 0 1 321.420 3.822 20 30 DHEDMN C[C@H](C#N)Oc1ccc(CN(C)Cc2cc(C#N)cs2)cc1 ZINC000897625512 1031750459 /nfs/dbraw/zinc/75/04/59/1031750459.db2.gz LJQPEOWFXQZSSX-CYBMUJFWSA-N 0 1 311.410 3.543 20 30 DHEDMN Cc1cc(C#N)cc(C)c1CN1CCCC[C@@H]1c1ccnn1C ZINC000930308362 1031775058 /nfs/dbraw/zinc/77/50/58/1031775058.db2.gz YAAFLXHVISWBAN-LJQANCHMSA-N 0 1 308.429 3.636 20 30 DHEDMN N#Cc1ccc(CN[C@@H](c2ccccc2)C2(CO)CCC2)s1 ZINC000294053111 1031775511 /nfs/dbraw/zinc/77/55/11/1031775511.db2.gz XFLJHIZKQDIHLM-KRWDZBQOSA-N 0 1 312.438 3.613 20 30 DHEDMN C=CC[C@@H](NCc1cc(OC)c(OC)cc1F)c1ccncc1 ZINC000845941725 1031787233 /nfs/dbraw/zinc/78/72/33/1031787233.db2.gz NXXCZWNZERTJCU-MRXNPFEDSA-N 0 1 316.376 3.645 20 30 DHEDMN COc1ccc2nc(NN=Cc3scnc3C)c(C)cc2c1 ZINC000777910906 1031830230 /nfs/dbraw/zinc/83/02/30/1031830230.db2.gz GFEAYRQYNHFSTG-UHFFFAOYSA-N 0 1 312.398 3.763 20 30 DHEDMN COc1ccc2[nH]c(=NN=Cc3ccc(C#N)s3)c(C)cc2c1 ZINC000777912046 1031835035 /nfs/dbraw/zinc/83/50/35/1031835035.db2.gz QXPCQEKCLCBGQS-UHFFFAOYSA-N 0 1 322.393 3.931 20 30 DHEDMN COc1ccc2nc(NN=Cc3csc(C)n3)c(C)cc2c1 ZINC000777913061 1031837840 /nfs/dbraw/zinc/83/78/40/1031837840.db2.gz HRCZEMXRHPVHON-UHFFFAOYSA-N 0 1 312.398 3.763 20 30 DHEDMN CCC[C@H](CC)C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000873498504 1031846578 /nfs/dbraw/zinc/84/65/78/1031846578.db2.gz VGXASICIHLSSPR-RYUDHWBXSA-N 0 1 306.793 3.814 20 30 DHEDMN C[C@H](NCc1cccc(OCCCC#N)c1)c1cncs1 ZINC000897935661 1031888041 /nfs/dbraw/zinc/88/80/41/1031888041.db2.gz YBCSNHMVFJEQQO-ZDUSSCGKSA-N 0 1 301.415 3.676 20 30 DHEDMN CCc1cnccc1C(=O)C(C#N)c1nccc2ccccc21 ZINC000361524716 1031971337 /nfs/dbraw/zinc/97/13/37/1031971337.db2.gz LMVQFJDPOQTNSG-KRWDZBQOSA-N 0 1 301.349 3.682 20 30 DHEDMN CN(C)Cc1ccc(NCc2ccc(C#N)cc2F)cc1F ZINC000772935895 1031987375 /nfs/dbraw/zinc/98/73/75/1031987375.db2.gz QFBISGLLPOODBJ-UHFFFAOYSA-N 0 1 301.340 3.510 20 30 DHEDMN N#Cc1cccc(CN2CCC(c3nc(C4CCC4)no3)CC2)c1 ZINC000877736393 1033425989 /nfs/dbraw/zinc/42/59/89/1033425989.db2.gz XUWBIAPCADFTTE-UHFFFAOYSA-N 0 1 322.412 3.588 20 30 DHEDMN C=CC[N@H+](Cc1cccs1)C[C@@H]1CCC2(CCOCC2)CO1 ZINC000877907297 1033508971 /nfs/dbraw/zinc/50/89/71/1033508971.db2.gz VUQJBSVSUNXZDA-INIZCTEOSA-N 0 1 321.486 3.712 20 30 DHEDMN C=CCN(Cc1cccs1)C[C@@H]1CCC2(CCOCC2)CO1 ZINC000877907297 1033508974 /nfs/dbraw/zinc/50/89/74/1033508974.db2.gz VUQJBSVSUNXZDA-INIZCTEOSA-N 0 1 321.486 3.712 20 30 DHEDMN CC(=O)[C@@](C#N)(CCN(C)Cc1ccccc1)c1ccccc1 ZINC000877934046 1033521702 /nfs/dbraw/zinc/52/17/02/1033521702.db2.gz ZXGKGGGQEZEQDO-FQEVSTJZSA-N 0 1 306.409 3.559 20 30 DHEDMN C=CCOC1CCC(N2Cc3cnn(-c4ccccc4)c3C2)CC1 ZINC001173323422 1033685684 /nfs/dbraw/zinc/68/56/84/1033685684.db2.gz XXZXWMKSSWOWSQ-UHFFFAOYSA-N 0 1 323.440 3.702 20 30 DHEDMN N#CCC1CCC(N2CCc3c(cnn3-c3ccccc3)C2)CC1 ZINC001173338468 1033694956 /nfs/dbraw/zinc/69/49/56/1033694956.db2.gz FOXPEHGWPUFYPX-UHFFFAOYSA-N 0 1 320.440 3.703 20 30 DHEDMN C#CC[C@H]1CCCN(Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000829768483 1033746140 /nfs/dbraw/zinc/74/61/40/1033746140.db2.gz DRYQVSKOOMQFRJ-ZDUSSCGKSA-N 0 1 315.804 3.625 20 30 DHEDMN C=CCCCC(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000479544361 1033803942 /nfs/dbraw/zinc/80/39/42/1033803942.db2.gz RRAYSIYVKTWUCG-QGZVFWFLSA-N 0 1 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N#Cc1cc(-c2cnc([C@@H]3CCCCN3)nc2)ccc1C1CC1 ZINC000906201214 1035829635 /nfs/dbraw/zinc/82/96/35/1035829635.db2.gz XWBSQMUQCPKSEM-SFHVURJKSA-N 0 1 304.397 3.707 20 30 DHEDMN Cc1noc(C(C)C)c1NC(=O)c1c(F)cc(C#N)cc1F ZINC000906275028 1035876234 /nfs/dbraw/zinc/87/62/34/1035876234.db2.gz HNCIWDXDLOWIAT-UHFFFAOYSA-N 0 1 305.284 3.509 20 30 DHEDMN CC(=NNc1cccc(Cl)c1F)c1cc2n(n1)CCCC2 ZINC000842524216 1035916795 /nfs/dbraw/zinc/91/67/95/1035916795.db2.gz AOSJGJHCOAJEMR-UHFFFAOYSA-N 0 1 306.772 3.848 20 30 DHEDMN C#C[C@](C)(CC)NCC(=O)N(Cc1ccccc1)c1ccccc1 ZINC001194505417 1035950619 /nfs/dbraw/zinc/95/06/19/1035950619.db2.gz PIANOOKCKHCDFO-OAQYLSRUSA-N 0 1 320.436 3.611 20 30 DHEDMN SCc1ccccc1-c1ccc(CCN2CCOCC2)cc1 ZINC001205671009 1035970900 /nfs/dbraw/zinc/97/09/00/1035970900.db2.gz AFFCADAAFUWJKJ-UHFFFAOYSA-N 0 1 313.466 3.658 20 30 DHEDMN C#C[C@@H](NCC1CCC(OC)CC1)c1ccc(Cl)cc1F ZINC001181699114 1035975455 /nfs/dbraw/zinc/97/54/55/1035975455.db2.gz ZETVMGPGCYVENN-MKTAYPAQSA-N 0 1 309.812 3.948 20 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CC[C@@H](NC1(C(=O)Nc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000560001891 332301139 /nfs/dbraw/zinc/30/11/39/332301139.db2.gz LXVCIJIVWPCCJR-GOSISDBHSA-N 0 1 319.408 3.770 20 30 DHEDMN N#Cc1cccc(OCCN2CCC(CC(F)(F)F)CC2)c1 ZINC000560170809 332316896 /nfs/dbraw/zinc/31/68/96/332316896.db2.gz WUSKZBZXWZFBDV-UHFFFAOYSA-N 0 1 312.335 3.601 20 30 DHEDMN C=CCC(C)(C)C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000293365410 335107620 /nfs/dbraw/zinc/10/76/20/335107620.db2.gz OPSYSOFRCUIGOF-HNNXBMFYSA-N 0 1 313.401 3.955 20 30 DHEDMN C[C@H](NCC(=O)Nc1ccc(C#N)cc1)c1cc2ccccc2o1 ZINC000181757642 333067557 /nfs/dbraw/zinc/06/75/57/333067557.db2.gz MAOHXRQYTUEWEI-ZDUSSCGKSA-N 0 1 319.364 3.594 20 30 DHEDMN Cc1cccc(C)c1NC(=O)CN(C)CCCC(C)(C)C#N ZINC000174809196 333090991 /nfs/dbraw/zinc/09/09/91/333090991.db2.gz BOHDAPRHQNBLKB-UHFFFAOYSA-N 0 1 301.434 3.504 20 30 DHEDMN N#CCCCSc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000514298964 333110225 /nfs/dbraw/zinc/11/02/25/333110225.db2.gz FMRAMWDVSDMNAL-UHFFFAOYSA-N 0 1 323.219 3.630 20 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N#C[C@H]1CC[C@@H](N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000424326515 337821324 /nfs/dbraw/zinc/82/13/24/337821324.db2.gz MACGNSHEXGPUAS-POZUXBRTSA-N 0 1 321.380 3.966 20 30 DHEDMN COc1ccc([C@@H]2CCN(Cc3cccc(F)c3C#N)C2)cc1 ZINC000428399485 338050136 /nfs/dbraw/zinc/05/01/36/338050136.db2.gz HRJIIJORCRJHDE-OAHLLOKOSA-N 0 1 310.372 3.695 20 30 DHEDMN C[C@H](NCc1cccc(C#N)c1F)[C@H]1OCCc2sccc21 ZINC000429144140 338071884 /nfs/dbraw/zinc/07/18/84/338071884.db2.gz RRXPTYPWGVAMAO-APPDUMDISA-N 0 1 316.401 3.551 20 30 DHEDMN C[C@H](c1ccc(C#N)cc1)N1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429245698 338074597 /nfs/dbraw/zinc/07/45/97/338074597.db2.gz LBABXKFMSSOKQI-HZPDHXFCSA-N 0 1 323.415 3.969 20 30 DHEDMN C=C(CC)CN(C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000429393521 338079447 /nfs/dbraw/zinc/07/94/47/338079447.db2.gz MAZMASVXYHWCKM-UHFFFAOYSA-N 0 1 322.452 3.790 20 30 DHEDMN C[C@@H](NCC1(CC#N)CC1)c1ccc(F)cc1Br ZINC000430747711 338113367 /nfs/dbraw/zinc/11/33/67/338113367.db2.gz 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ZINC000507132939 340208861 /nfs/dbraw/zinc/20/88/61/340208861.db2.gz XQCWUTQPIPYSQN-UHFFFAOYSA-N 0 1 324.815 3.881 20 30 DHEDMN C=CCOc1ccc(C[N@@H+](C)C[C@@H]2CCCCO2)cc1Cl ZINC000511638980 340333502 /nfs/dbraw/zinc/33/35/02/340333502.db2.gz CTOIYJKDDWJSEX-HNNXBMFYSA-N 0 1 309.837 3.906 20 30 DHEDMN C=C(C)CN(Cc1ccc(CO)o1)[C@H](C)c1cccc(OC)c1 ZINC000512193510 340351602 /nfs/dbraw/zinc/35/16/02/340351602.db2.gz IDZWTVSAZRNFKD-OAHLLOKOSA-N 0 1 315.413 3.920 20 30 DHEDMN C=C(C)CN(Cc1ccc(CO)o1)[C@@H]1CCc2ccc(F)cc21 ZINC000512196726 340351843 /nfs/dbraw/zinc/35/18/43/340351843.db2.gz QVLRLNAMOAEQFW-LJQANCHMSA-N 0 1 315.388 3.977 20 30 DHEDMN CCCN(Cc1ccc(C#N)cc1)Cc1cccc(C#N)c1F ZINC000512449542 340362343 /nfs/dbraw/zinc/36/23/43/340362343.db2.gz IIESSLOUHNPOEK-UHFFFAOYSA-N 0 1 307.372 3.981 20 30 DHEDMN COc1ccc(C(C)(C)NCc2cccc(C#N)c2F)cc1F ZINC000528676246 340729158 /nfs/dbraw/zinc/72/91/58/340729158.db2.gz QHIDGSMPAARMCA-UHFFFAOYSA-N 0 1 316.351 3.870 20 30 DHEDMN C=C(C)COCCNCc1cc(Cl)ccc1Br ZINC000125797810 340809120 /nfs/dbraw/zinc/80/91/20/340809120.db2.gz OYXSVSFDKBLYPB-UHFFFAOYSA-N 0 1 318.642 3.785 20 30 DHEDMN C=CCC[C@@H](O)CNC1(c2c(Cl)cccc2Cl)CC1 ZINC000538229474 340814337 /nfs/dbraw/zinc/81/43/37/340814337.db2.gz QWALMPCKHWGYSF-LLVKDONJSA-N 0 1 300.229 3.899 20 30 DHEDMN C=C(C)CN(CC)C(=O)CN[C@H](CC)c1ccccc1OCC ZINC000540350502 340928193 /nfs/dbraw/zinc/92/81/93/340928193.db2.gz IAOFHSWGAKURSS-QGZVFWFLSA-N 0 1 318.461 3.551 20 30 DHEDMN COc1nc2ccccc2cc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000540595771 340937495 /nfs/dbraw/zinc/93/74/95/340937495.db2.gz ZKUKFWKTCMXEPH-AWEZNQCLSA-N 0 1 317.392 3.966 20 30 DHEDMN Cc1cccn2c(CN[C@H](CCC#N)c3ccccc3)cnc12 ZINC000130454434 341022252 /nfs/dbraw/zinc/02/22/52/341022252.db2.gz KNABPHMCLZIIPK-GOSISDBHSA-N 0 1 304.397 3.777 20 30 DHEDMN C=CCN(CCc1ccco1)Cc1cnc(-c2ccccc2)nc1 ZINC000543701995 341054081 /nfs/dbraw/zinc/05/40/81/341054081.db2.gz MCCCLIXATPIIHL-UHFFFAOYSA-N 0 1 319.408 3.967 20 30 DHEDMN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)Cc1cc(C#N)ccc1F ZINC000134218853 341209774 /nfs/dbraw/zinc/20/97/74/341209774.db2.gz PHCICNKUHFBKBX-ORAYPTAESA-N 0 1 310.372 3.521 20 30 DHEDMN N#Cc1ccc(CNCc2ccccc2OC(F)(F)F)cc1 ZINC000078255604 341239045 /nfs/dbraw/zinc/23/90/45/341239045.db2.gz SOWVPQMIOXHDFV-UHFFFAOYSA-N 0 1 306.287 3.747 20 30 DHEDMN C=CCOCCN1CCc2sccc2[C@H]1c1cccs1 ZINC000549341941 341291671 /nfs/dbraw/zinc/29/16/71/341291671.db2.gz FCHFIXCYEOPQLT-INIZCTEOSA-N 0 1 305.468 3.960 20 30 DHEDMN CCN(CC)c1ccc(CNCc2ccc(C#N)cc2F)cc1 ZINC000236925858 520908538 /nfs/dbraw/zinc/90/85/38/520908538.db2.gz NUNJBWDXOWPVQV-UHFFFAOYSA-N 0 1 311.404 3.833 20 30 DHEDMN CCN(Cc1ccc(F)c(C#N)c1)[C@@H]1CCCc2cccnc21 ZINC000365009577 521315993 /nfs/dbraw/zinc/31/59/93/521315993.db2.gz PNAHHEORNKJIDM-GOSISDBHSA-N 0 1 309.388 3.992 20 30 DHEDMN CCN(Cc1cnc2ccccn12)[C@@H](C)c1ccc(C#N)cc1 ZINC000157705361 521435256 /nfs/dbraw/zinc/43/52/56/521435256.db2.gz PVGVRUHZUPPTSB-HNNXBMFYSA-N 0 1 304.397 3.789 20 30 DHEDMN CCC1(CC)CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000268035386 521687718 /nfs/dbraw/zinc/68/77/18/521687718.db2.gz NMYLDRWYNCHSOZ-UHFFFAOYSA-N 0 1 310.401 3.620 20 30 DHEDMN CN(Cc1ccc(C#N)cc1)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000130459763 523209066 /nfs/dbraw/zinc/20/90/66/523209066.db2.gz JKLKKHITNJVVHN-UHFFFAOYSA-N 0 1 322.412 3.601 20 30 DHEDMN COc1ccccc1[C@H]1CCN(Cc2ccc(F)cc2C#N)C1 ZINC000157924868 524813424 /nfs/dbraw/zinc/81/34/24/524813424.db2.gz OFJBYDIYDWTHSG-HNNXBMFYSA-N 0 1 310.372 3.695 20 30 DHEDMN C[C@H](N[C@@H]1CCOc2c(F)cccc21)c1ccc(C#N)s1 ZINC000364847655 525577074 /nfs/dbraw/zinc/57/70/74/525577074.db2.gz ODZJGSYZUOLMLC-IINYFYTJSA-N 0 1 302.374 3.933 20 30 DHEDMN C[C@@H](c1ccccn1)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000267404003 526114485 /nfs/dbraw/zinc/11/44/85/526114485.db2.gz RQRHVAKHPRTQEO-HNNXBMFYSA-N 0 1 307.397 3.558 20 30 DHEDMN Cc1nc2ccccc2nc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000338367543 527172832 /nfs/dbraw/zinc/17/28/32/527172832.db2.gz UDRQEXQUEBJIHH-CYBMUJFWSA-N 0 1 302.381 3.661 20 30 DHEDMN COCC[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccco1 ZINC000272627767 536810058 /nfs/dbraw/zinc/81/00/58/536810058.db2.gz ZPTYTPFAYMQIRO-MLGOLLRUSA-N 0 1 302.349 3.719 20 30 DHEDMN C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(F)cc1C(=O)[O-] ZINC000736108900 600090122 /nfs/dbraw/zinc/09/01/22/600090122.db2.gz VJCXSLMDFDIRDL-UHFFFAOYSA-N 0 1 324.355 3.584 20 30 DHEDMN CC(C)(C)[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000736252890 600571879 /nfs/dbraw/zinc/57/18/79/600571879.db2.gz SEQSQNHMTDOLPF-SJORKVTESA-N 0 1 314.429 3.832 20 30 DHEDMN C=C(C)C[N@@H+](CC)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000517750278 600815849 /nfs/dbraw/zinc/81/58/49/600815849.db2.gz AVVLWLOILCCRGA-UHFFFAOYSA-N 0 1 316.426 3.906 20 30 DHEDMN C=C(C)C[N@H+](CC)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000517750278 600815850 /nfs/dbraw/zinc/81/58/50/600815850.db2.gz AVVLWLOILCCRGA-UHFFFAOYSA-N 0 1 316.426 3.906 20 30 DHEDMN CC(C)(C#N)CCC[N@@H+](CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000826070882 601113504 /nfs/dbraw/zinc/11/35/04/601113504.db2.gz FYKCSOFHIWRGDF-UHFFFAOYSA-N 0 1 308.809 3.557 20 30 DHEDMN N#Cc1cccc([C@@H]([NH2+]Cc2cc3ccccc3s2)C(=O)[O-])c1 ZINC000833076659 601303447 /nfs/dbraw/zinc/30/34/47/601303447.db2.gz XSWZGYFWTUTFNK-QGZVFWFLSA-N 0 1 322.389 3.688 20 30 DHEDMN C[N@H+](Cc1cc2ccccc2o1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830811104 601323897 /nfs/dbraw/zinc/32/38/97/601323897.db2.gz MNGOEMABNZLFQO-SFHVURJKSA-N 0 1 320.348 3.562 20 30 DHEDMN C[N@@H+](Cc1cc2ccccc2o1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830811104 601323899 /nfs/dbraw/zinc/32/38/99/601323899.db2.gz MNGOEMABNZLFQO-SFHVURJKSA-N 0 1 320.348 3.562 20 30 DHEDMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000828029355 601929739 /nfs/dbraw/zinc/92/97/39/601929739.db2.gz ZEIONCSQJMIWSC-HXUWFJFHSA-N 0 1 320.392 3.522 20 30 DHEDMN C[C@@H]1CC[N@H+](Cc2cccc(C(=O)[O-])c2C#N)[C@H](c2ccco2)C1 ZINC000833616127 604610987 /nfs/dbraw/zinc/61/09/87/604610987.db2.gz QLKFCUXEBSFQLJ-DYVFJYSZSA-N 0 1 324.380 3.823 20 30 DHEDMN C[C@@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)[C@H](c2ccco2)C1 ZINC000833616127 604610988 /nfs/dbraw/zinc/61/09/88/604610988.db2.gz QLKFCUXEBSFQLJ-DYVFJYSZSA-N 0 1 324.380 3.823 20 30 DHEDMN CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1CC(=O)[O-] ZINC000833496736 605064293 /nfs/dbraw/zinc/06/42/93/605064293.db2.gz RJQBSEOHVGFSBC-UHFFFAOYSA-N 0 1 322.408 3.596 20 30 DHEDMN CC(C)CCCC(C)N=Nc1oc(C(C)C)nc1-c1nn[nH]n1 ZINC000820242913 606988819 /nfs/dbraw/zinc/98/88/19/606988819.db2.gz QZLCZRACLMNVHE-UHFFFAOYSA-N 0 1 319.413 3.592 20 30 DHEDMN CC(C)C[N@@H+](CCC1(C(=O)[O-])CCC1)Cc1ccc(C#N)cc1 ZINC001603025741 972086349 /nfs/dbraw/zinc/08/63/49/972086349.db2.gz OFYNKEIBPQMSOT-UHFFFAOYSA-N 0 1 314.429 3.661 20 30 DHEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)C(C)(C)C ZINC000518180027 1013151610 /nfs/dbraw/zinc/15/16/10/1013151610.db2.gz PMCNFXMITSJZDR-CYBMUJFWSA-N 0 1 319.474 3.607 20 30 DHEDMN C#CC[N@H+](Cc1ccc(C(=O)[O-])cc1)[C@H]1CCc2ccccc21 ZINC001573327754 958493534 /nfs/dbraw/zinc/49/35/34/958493534.db2.gz VTKHXLNIBFBOBW-IBGZPJMESA-N 0 1 305.377 3.508 20 30 DHEDMN CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC001588607635 959492104 /nfs/dbraw/zinc/49/21/04/959492104.db2.gz OMFUKNUXAYKOCW-OAHLLOKOSA-N 0 1 314.429 3.565 20 30 DHEDMN C#CC[N@H+](Cc1ccccc1N(C)C)[C@@H]1CCc2ccccc21 ZINC001167178777 1013362475 /nfs/dbraw/zinc/36/24/75/1013362475.db2.gz KLKPCJMVQMUORF-OAQYLSRUSA-N 0 1 304.437 3.875 20 30 DHEDMN C#CCN(Cc1ccccc1N(C)C)[C@@H]1CCc2ccccc21 ZINC001167178777 1013362485 /nfs/dbraw/zinc/36/24/85/1013362485.db2.gz KLKPCJMVQMUORF-OAQYLSRUSA-N 0 1 304.437 3.875 20 30 DHEDMN C=CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](CCCc2ccccc2)C1 ZINC001573351503 962979382 /nfs/dbraw/zinc/97/93/82/962979382.db2.gz VDHDNVGQCOIOBD-MSOLQXFVSA-N 0 1 301.430 3.751 20 30 DHEDMN C=CC[N@H+](CCc1ccco1)Cc1c2ccccc2[nH]c1C(=O)[O-] ZINC001573369345 963096412 /nfs/dbraw/zinc/09/64/12/963096412.db2.gz YHQLVVNCEOWTFH-UHFFFAOYSA-N 0 1 324.380 3.690 20 30 DHEDMN C[C@@H](C#N)Oc1ccc(/C=C\C(=O)c2ccc(O)c(F)c2)cc1 ZINC000255083044 1013656741 /nfs/dbraw/zinc/65/67/41/1013656741.db2.gz OWCSBCGVTAWMGT-LDJOOVGUSA-N 0 1 311.312 3.718 20 30 DHEDMN C=CCC[C@H](CO)NCc1oc2ccccc2c1Br ZINC000655789967 1013714501 /nfs/dbraw/zinc/71/45/01/1013714501.db2.gz CFBCUSWMKJLTEE-LLVKDONJSA-N 0 1 324.218 3.612 20 30 DHEDMN COc1ccccc1C[C@H](C)N(C)Cc1ccc(F)cc1C#N ZINC000441407807 1013739989 /nfs/dbraw/zinc/73/99/89/1013739989.db2.gz GNYOQSLNMGEIEF-AWEZNQCLSA-N 0 1 312.388 3.769 20 30 DHEDMN O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1n[nH]nc1-c1ccccc1 ZINC000328661948 1013789813 /nfs/dbraw/zinc/78/98/13/1013789813.db2.gz ALNHVRQLANTYJQ-AEGPPILISA-N 0 1 310.401 3.745 20 30 DHEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)c1coc(C2CCCCC2)n1 ZINC000328732124 1013797317 /nfs/dbraw/zinc/79/73/17/1013797317.db2.gz GZEUKLFSPXYYRF-CYBMUJFWSA-N 0 1 314.389 3.828 20 30 DHEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000328956697 1013807306 /nfs/dbraw/zinc/80/73/06/1013807306.db2.gz 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CCN(Cc1ccccc1)c1ccc(C=NN[C@@H](C)CC#N)cc1 ZINC000771881365 1023480911 /nfs/dbraw/zinc/48/09/11/1023480911.db2.gz SSWHTFPEVYUFAV-KRWDZBQOSA-N 0 1 320.440 3.939 20 30 DHEDMN C=CC[N@@H+](Cc1csc(Br)c1)[C@H](C)COC ZINC000661242891 1023537274 /nfs/dbraw/zinc/53/72/74/1023537274.db2.gz GTBPDAFKBRCNIS-SNVBAGLBSA-N 0 1 304.253 3.534 20 30 DHEDMN C=CCN(Cc1csc(Br)c1)[C@H](C)COC ZINC000661242891 1023537275 /nfs/dbraw/zinc/53/72/75/1023537275.db2.gz GTBPDAFKBRCNIS-SNVBAGLBSA-N 0 1 304.253 3.534 20 30 DHEDMN C=CC[C@@H]1CC[C@@H](N[C@H](C)c2ncc(Br)cn2)C1 ZINC000651816882 1023569236 /nfs/dbraw/zinc/56/92/36/1023569236.db2.gz NHDCGTKPDMJANT-NQBHXWOUSA-N 0 1 310.239 3.635 20 30 DHEDMN C#CCN(Cc1ccc(OC)c(OC)c1)[C@H]1CCc2ccccc21 ZINC000772597521 1023577233 /nfs/dbraw/zinc/57/72/33/1023577233.db2.gz GRKIHOPWEUOCGW-IBGZPJMESA-N 0 1 321.420 3.827 20 30 DHEDMN C#CCC1(C(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)CCCCC1 ZINC000772655788 1023583246 /nfs/dbraw/zinc/58/32/46/1023583246.db2.gz IFTNKYNTBSXPOW-UHFFFAOYSA-N 0 1 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ZINC000093872378 1023942254 /nfs/dbraw/zinc/94/22/54/1023942254.db2.gz CMGHTRJMBUMIOI-ROUUACIJSA-N 0 1 322.408 3.673 20 30 DHEDMN CCC(N=Nc1ccc2c(cc[nH]c2=O)c1)c1cccc(OC)c1 ZINC000789077392 1023987836 /nfs/dbraw/zinc/98/78/36/1023987836.db2.gz SIBSNIJNEQWZNU-UHFFFAOYSA-N 0 1 321.380 3.763 20 30 DHEDMN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@H]2CC2(C)C)cc1 ZINC000126228953 1033179641 /nfs/dbraw/zinc/17/96/41/1033179641.db2.gz YWBCWKYRQKXTGT-DAXOMENPSA-N 0 1 312.413 3.894 20 30 DHEDMN CC[C@H](NCc1cc(C#N)cnc1Cl)c1ccc(OC)cc1 ZINC000876886207 1033175518 /nfs/dbraw/zinc/17/55/18/1033175518.db2.gz TYIHVHWRBSJEPT-INIZCTEOSA-N 0 1 315.804 3.856 20 30 DHEDMN CCCCCCCCc1nnc(NC(=O)c2cc(C)no2)s1 ZINC000104986793 1024086946 /nfs/dbraw/zinc/08/69/46/1024086946.db2.gz ZXNVXAXIVMGVRZ-UHFFFAOYSA-N 0 1 322.434 3.990 20 30 DHEDMN N#Cc1ccc([C@@H](O)CN2CC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000268638923 1024134716 /nfs/dbraw/zinc/13/47/16/1024134716.db2.gz DBHALXADFSDAOV-ROUUACIJSA-N 0 1 312.800 3.692 20 30 DHEDMN Cc1ccc[nH+]c1[N-]N=Cc1csc(COc2ccccc2)n1 ZINC000790185151 1024236463 /nfs/dbraw/zinc/23/64/63/1024236463.db2.gz CWDUMJMDPUITCL-UHFFFAOYSA-N 0 1 324.409 3.872 20 30 DHEDMN Cc1cccnc1N=NCc1ccc(F)c(Br)c1 ZINC000790191815 1024239012 /nfs/dbraw/zinc/23/90/12/1024239012.db2.gz YPBYRDDKGLATPW-UHFFFAOYSA-N 0 1 308.154 3.738 20 30 DHEDMN Cc1cccnc1N=NC1CN(Cc2ccccc2)CC[C@@H]1C ZINC000790189638 1024239776 /nfs/dbraw/zinc/23/97/76/1024239776.db2.gz BFQYBWBGYGEMJX-HNNXBMFYSA-N 0 1 308.429 3.700 20 30 DHEDMN Cc1cccnc1NN=Cc1ccc(OCC(F)(F)F)cc1 ZINC000790187019 1024240274 /nfs/dbraw/zinc/24/02/74/1024240274.db2.gz SIFVFJOSBBJCHB-UHFFFAOYSA-N 0 1 309.291 3.777 20 30 DHEDMN C#CCCCCCC(=O)Nc1cccc2c1OCC[C@@H]2N(C)C ZINC000790238622 1024250029 /nfs/dbraw/zinc/25/00/29/1024250029.db2.gz CMFQENASRIYCQO-KRWDZBQOSA-N 0 1 314.429 3.594 20 30 DHEDMN Cn1ccnc1N=NCc1ccc(Oc2cccc(F)c2)cc1 ZINC000790299987 1024276475 /nfs/dbraw/zinc/27/64/75/1024276475.db2.gz NPODMDYAYAFHOJ-UHFFFAOYSA-N 0 1 310.332 3.798 20 30 DHEDMN 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DHEDMN Fc1ccccc1-c1n[nH]cc1C=NNc1cccc(Cl)n1 ZINC000793174680 1024922112 /nfs/dbraw/zinc/92/21/12/1024922112.db2.gz KYJUWSKBAKFJOE-UHFFFAOYSA-N 0 1 315.739 3.710 20 30 DHEDMN CCOC1(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)CCCC1 ZINC000793323596 1024986474 /nfs/dbraw/zinc/98/64/74/1024986474.db2.gz DBPLWFNFKXISHQ-LBPRGKRZSA-N 0 1 320.458 3.966 20 30 DHEDMN C(=NNc1cnc2ccccc2n1)c1cnc(C2CCC2)s1 ZINC000760249376 1024989993 /nfs/dbraw/zinc/98/99/93/1024989993.db2.gz UKDFBENLQBALTN-UHFFFAOYSA-N 0 1 309.398 3.800 20 30 DHEDMN COC[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(F)cc1 ZINC000353242013 1024997264 /nfs/dbraw/zinc/99/72/64/1024997264.db2.gz MPEGSWPFTZVHOS-MOPGFXCFSA-N 0 1 310.372 3.662 20 30 DHEDMN C=CCOCc1nn([C@@H]2CC[C@@H](c3ccccc3)C2)c2c1CNC2 ZINC001172561804 1033254911 /nfs/dbraw/zinc/25/49/11/1033254911.db2.gz YSFSSQQWCQDGKC-IAGOWNOFSA-N 0 1 323.440 3.698 20 30 DHEDMN COc1ccc(CN(C)[C@@H](C)c2sc(C)nc2C)cc1C#N ZINC000135060391 1033259862 /nfs/dbraw/zinc/25/98/62/1033259862.db2.gz 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1025600491 /nfs/dbraw/zinc/60/04/91/1025600491.db2.gz RQFPKYATNRBZJT-CQSZACIVSA-N 0 1 312.438 3.664 20 30 DHEDMN Cc1noc2ncc(CN(Cc3ccc(C#N)cc3)C3CC3)cc12 ZINC000893928860 1025607346 /nfs/dbraw/zinc/60/73/46/1025607346.db2.gz GSHKKHCIKAXNCR-UHFFFAOYSA-N 0 1 318.380 3.568 20 30 DHEDMN CCc1c(C(=O)C(C#N)c2nc3ccccc3s2)ccn1C ZINC000355140273 1025616352 /nfs/dbraw/zinc/61/63/52/1025616352.db2.gz ZNDBKGKFWGAENI-LBPRGKRZSA-N 0 1 309.394 3.687 20 30 DHEDMN CCc1c(C(=O)[C@H](C#N)c2nc3ccccc3s2)ccn1C ZINC000355140273 1025616357 /nfs/dbraw/zinc/61/63/57/1025616357.db2.gz ZNDBKGKFWGAENI-LBPRGKRZSA-N 0 1 309.394 3.687 20 30 DHEDMN N#CC[C@H](CC(=O)Nc1ccc2nc[nH]c2c1)c1ccccc1 ZINC000355287461 1025666914 /nfs/dbraw/zinc/66/69/14/1025666914.db2.gz XUNQVIAHZMHADD-CQSZACIVSA-N 0 1 304.353 3.589 20 30 DHEDMN COc1ccsc1CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000355357554 1025693519 /nfs/dbraw/zinc/69/35/19/1025693519.db2.gz VMHHMKRZBBVDAK-UHFFFAOYSA-N 0 1 310.422 3.918 20 30 DHEDMN N#Cc1cc(CN2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)ccc1F ZINC000886614165 1025741626 /nfs/dbraw/zinc/74/16/26/1025741626.db2.gz OOSFUZUYGCTBEK-ZFWWWQNUSA-N 0 1 312.310 3.862 20 30 DHEDMN C[C@H](NCc1ccc(C#N)cc1)c1ccc(Br)cn1 ZINC000355523501 1025755479 /nfs/dbraw/zinc/75/54/79/1025755479.db2.gz DIXCUFVOMMGMRR-NSHDSACASA-N 0 1 316.202 3.567 20 30 DHEDMN CC(C)(C#N)c1ccc(CN2CCOc3ccccc3C2)cc1 ZINC000614160583 1025782997 /nfs/dbraw/zinc/78/29/97/1025782997.db2.gz IXQKHDWGOYIEDM-UHFFFAOYSA-N 0 1 306.409 3.882 20 30 DHEDMN C=CCC1(O)CCN(Cc2cc3ccccc3nc2Cl)CC1 ZINC000886759712 1025879407 /nfs/dbraw/zinc/87/94/07/1025879407.db2.gz NHWUJCOKXNFULA-UHFFFAOYSA-N 0 1 316.832 3.791 20 30 DHEDMN O=C1c2ccccc2SC/C1=C\c1cc(O)ccc1[N+](=O)[O-] ZINC000178722922 1025962304 /nfs/dbraw/zinc/96/23/04/1025962304.db2.gz LTDMESGMWXXSHZ-YRNVUSSQSA-N 0 1 313.334 3.672 20 30 DHEDMN CC(C)(NCc1ccc(OCC#N)cc1)c1ccc(F)cc1F ZINC000886901315 1025979119 /nfs/dbraw/zinc/97/91/19/1025979119.db2.gz WUDQOJUPLLSAKR-UHFFFAOYSA-N 0 1 316.351 3.892 20 30 DHEDMN C[C@]1(c2ccccc2)CCCN(Cc2nc(C#N)cs2)CC1 ZINC000356351345 1026029010 /nfs/dbraw/zinc/02/90/10/1026029010.db2.gz YHHRNSLZPPUZNT-SFHVURJKSA-N 0 1 311.454 3.959 20 30 DHEDMN C=CCOc1ccc(CN(CC)Cc2ccccn2)cc1OC ZINC000093338814 1026116271 /nfs/dbraw/zinc/11/62/71/1026116271.db2.gz ITLMYAXECGLABS-UHFFFAOYSA-N 0 1 312.413 3.677 20 30 DHEDMN C#C[C@H](NC(=O)c1cn[nH]c1-c1ccc(Cl)s1)C(C)(C)C ZINC000807878348 1026143966 /nfs/dbraw/zinc/14/39/66/1026143966.db2.gz MHYNOUJVDNZVNM-NSHDSACASA-N 0 1 321.833 3.569 20 30 DHEDMN CC(C)c1ncc(C=NNc2nccnc2C2CCC2)s1 ZINC000807992859 1026167743 /nfs/dbraw/zinc/16/77/43/1026167743.db2.gz NMWAXKSDSAJDCY-UHFFFAOYSA-N 0 1 301.419 3.770 20 30 DHEDMN N#Cc1cc(CN(CCC(F)(F)F)CC2CC2)ccc1F ZINC000122092896 1026171370 /nfs/dbraw/zinc/17/13/70/1026171370.db2.gz ANIRIPVRTVZYQO-UHFFFAOYSA-N 0 1 300.299 3.862 20 30 DHEDMN COc1ccc2c(c1F)CCC2N=Nc1cccc(F)c1F ZINC000807973302 1026179908 /nfs/dbraw/zinc/17/99/08/1026179908.db2.gz AIOULSNDVKEKTO-UHFFFAOYSA-N 0 1 306.287 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DHEDMN C=C[C@@H](CC(=O)NCc1nc2ccc(F)cc2[nH]1)c1ccccc1 ZINC000136914826 341269084 /nfs/dbraw/zinc/26/90/84/341269084.db2.gz PTHSRCRBMOXTAF-ZDUSSCGKSA-N 0 1 323.371 3.678 20 30 DHEDMN C=CCOCCCN1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000548751836 341272183 /nfs/dbraw/zinc/27/21/83/341272183.db2.gz BYFTZXNUUCTHCL-GOSISDBHSA-N 0 1 313.445 3.693 20 30 DHEDMN CC(C)CCC[C@@H](C)NC(=O)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000549162224 341287585 /nfs/dbraw/zinc/28/75/85/341287585.db2.gz NFPVAQRYWMHPBN-CVEARBPZSA-N 0 1 315.461 3.540 20 30 DHEDMN COc1ccc(CN2CCC(CC(F)(F)F)CC2)cc1C#N ZINC000551711438 341349740 /nfs/dbraw/zinc/34/97/40/341349740.db2.gz XIHUOJNQTOZOJN-UHFFFAOYSA-N 0 1 312.335 3.731 20 30 DHEDMN C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1[N+](=O)[O-] ZINC000554984647 341471511 /nfs/dbraw/zinc/47/15/11/341471511.db2.gz CBYXEQNSIROBLD-SJKOYZFVSA-N 0 1 307.353 3.805 20 30 DHEDMN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1cnc(C2CC2)o1 ZINC000572574644 341547528 /nfs/dbraw/zinc/54/75/28/341547528.db2.gz 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C=CCCCN(CC)C(=O)c1cccc(Br)c1O ZINC000890811949 1013511702 /nfs/dbraw/zinc/51/17/02/1013511702.db2.gz PTMDUKSTUNNOAW-UHFFFAOYSA-N 0 1 312.207 3.583 20 30 DHEDMN C=CC[C@H]1N(Cc2nc3ccccc3c(=O)[nH]2)CCCC1(C)C ZINC000683528238 1013589328 /nfs/dbraw/zinc/58/93/28/1013589328.db2.gz CHKUZGACFWLTHI-MRXNPFEDSA-N 0 1 311.429 3.902 20 30 DHEDMN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)CC#Cc1ccc(F)cc1 ZINC000441035358 1013656967 /nfs/dbraw/zinc/65/69/67/1013656967.db2.gz CWIZDYJEBZMDTC-MGPUTAFESA-N 0 1 309.384 3.501 20 30 DHEDMN Cc1ccc2nc([C@H]3CCCN3C(=O)C3(C#N)CCCC3)[nH]c2c1 ZINC000520309067 1013703323 /nfs/dbraw/zinc/70/33/23/1013703323.db2.gz SNARCONXCKSGQZ-MRXNPFEDSA-N 0 1 322.412 3.619 20 30 DHEDMN CCc1noc(C)c1CN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000340438655 1013788718 /nfs/dbraw/zinc/78/87/18/1013788718.db2.gz DSJNTZLNTCLGIF-LJQANCHMSA-N 0 1 309.413 3.974 20 30 DHEDMN Cc1cnc(NC(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)o1 ZINC000328710064 1013794524 /nfs/dbraw/zinc/79/45/24/1013794524.db2.gz 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ZINC000744015422 1021408429 /nfs/dbraw/zinc/40/84/29/1021408429.db2.gz QQUNUOGATUXGJF-HNNXBMFYSA-N 0 1 322.314 3.932 20 30 DHEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccnc(Cl)c2)s1 ZINC000797566193 1021430142 /nfs/dbraw/zinc/43/01/42/1021430142.db2.gz BDVXWOMRRGDTKP-SNVBAGLBSA-N 0 1 319.817 3.979 20 30 DHEDMN Cc1cccc2nc([C@@H](C#N)C(=O)[C@H](C)c3cccc(F)c3)[nH]c21 ZINC000744161374 1021453818 /nfs/dbraw/zinc/45/38/18/1021453818.db2.gz TUKYODIXGQCBTG-DOMZBBRYSA-N 0 1 321.355 3.990 20 30 DHEDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OCCCC(C)(C)C#N ZINC000782935442 1021457382 /nfs/dbraw/zinc/45/73/82/1021457382.db2.gz NOAMWGMDARHDEW-UHFFFAOYSA-N 0 1 311.385 3.872 20 30 DHEDMN CC(C)CO[C@H](C)C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797569285 1021473555 /nfs/dbraw/zinc/47/35/55/1021473555.db2.gz ADAMFUOCZYVUGH-VXGBXAGGSA-N 0 1 308.447 3.678 20 30 DHEDMN N#CCCCOc1cccc(CN[C@@H]2C[C@@H](O)c3ccccc32)c1 ZINC000850371542 1021494082 /nfs/dbraw/zinc/49/40/82/1021494082.db2.gz KOFVHXNINCDMCD-WOJBJXKFSA-N 0 1 322.408 3.637 20 30 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C#CCN1CCC(c2nc(-c3ccc(C(C)C)cc3)no2)CC1 ZINC000770840077 1023353833 /nfs/dbraw/zinc/35/38/33/1023353833.db2.gz DHONUXZHTXBJDE-UHFFFAOYSA-N 0 1 309.413 3.673 20 30 DHEDMN Clc1cccc(C#CCN2CCC[C@H](c3ccccn3)C2)c1 ZINC000660628737 1023354096 /nfs/dbraw/zinc/35/40/96/1023354096.db2.gz WSOHWLKPGHVREV-KRWDZBQOSA-N 0 1 310.828 3.966 20 30 DHEDMN C=CC[C@H]1CCCC[C@H]1NCc1nnc(C(F)(F)F)s1 ZINC000661114091 1023484037 /nfs/dbraw/zinc/48/40/37/1023484037.db2.gz DDYZHAVJAOAHGU-VHSXEESVSA-N 0 1 305.369 3.781 20 30 DHEDMN C=CC[C@H]1CCCC[C@@H]1NCc1nc(Cc2ccccc2)no1 ZINC000661117376 1023487768 /nfs/dbraw/zinc/48/77/68/1023487768.db2.gz QKCXHZJWYGDBIQ-IRXDYDNUSA-N 0 1 311.429 3.885 20 30 DHEDMN C#Cc1ccc(C(=O)Nc2ccc3nc(CCCC)[nH]c3c2)nc1 ZINC000728816891 1023542082 /nfs/dbraw/zinc/54/20/82/1023542082.db2.gz ACYWRLMNNUWELM-UHFFFAOYSA-N 0 1 318.380 3.534 20 30 DHEDMN CCOc1ncccc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000093243641 1023549218 /nfs/dbraw/zinc/54/92/18/1023549218.db2.gz DMMUTRUSGPIPJY-OAHLLOKOSA-N 0 1 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ZINC000932153881 1027388320 /nfs/dbraw/zinc/38/83/20/1027388320.db2.gz CALUPZAXVMFNGQ-INIZCTEOSA-N 0 1 323.481 3.697 20 30 DHEDMN N#Cc1ccc(CN2CCC[C@@H]2Cc2ccccc2Cl)nc1 ZINC000562383186 1027399807 /nfs/dbraw/zinc/39/98/07/1027399807.db2.gz NBZCCUWSECVHDU-QGZVFWFLSA-N 0 1 311.816 3.814 20 30 DHEDMN C=CCN(Cc1cccs1)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000574555283 1027403698 /nfs/dbraw/zinc/40/36/98/1027403698.db2.gz DGKKLMCSCOAFOY-UHFFFAOYSA-N 0 1 323.421 3.967 20 30 DHEDMN C#CCCOc1ccc(CN2CC(c3ccccc3F)C2)cc1 ZINC000812791581 1027406562 /nfs/dbraw/zinc/40/65/62/1027406562.db2.gz XNWKIUYRPOLMPW-UHFFFAOYSA-N 0 1 309.384 3.827 20 30 DHEDMN C#CC[C@@H](NCc1cncc(C(F)(F)F)c1)c1ccccc1 ZINC000812831646 1027433535 /nfs/dbraw/zinc/43/35/35/1027433535.db2.gz TYCGNRVMWKTRFM-MRXNPFEDSA-N 0 1 304.315 3.955 20 30 DHEDMN CCN(Cc1cc(C#N)ccc1F)[C@H](C)[C@H](O)c1ccccc1 ZINC000812852274 1027448860 /nfs/dbraw/zinc/44/88/60/1027448860.db2.gz FGMSIDMWRNGDTN-KUHUBIRLSA-N 0 1 312.388 3.641 20 30 DHEDMN CCN(Cc1ccc(F)cc1C#N)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812852566 1027448916 /nfs/dbraw/zinc/44/89/16/1027448916.db2.gz HJQAZVHRXKXUKQ-IFXJQAMLSA-N 0 1 312.388 3.641 20 30 DHEDMN N#CC(C(=O)C=Cc1ccco1)c1cc(C(F)(F)F)ccn1 ZINC000813215356 1027567464 /nfs/dbraw/zinc/56/74/64/1027567464.db2.gz XJRRINRRPOFFFV-PCAWENJQSA-N 0 1 306.243 3.583 20 30 DHEDMN N#Cc1cc(CN2CCC(Cc3ccccn3)CC2)ccc1F ZINC000363929381 1027778022 /nfs/dbraw/zinc/77/80/22/1027778022.db2.gz AQEQLLNPEUUBJO-UHFFFAOYSA-N 0 1 309.388 3.547 20 30 DHEDMN N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1cc(F)ccc1O ZINC000779031687 1027935263 /nfs/dbraw/zinc/93/52/63/1027935263.db2.gz FQOPLHKORBBTOI-MSOLQXFVSA-N 0 1 310.372 3.803 20 30 DHEDMN COc1ccc([C@H]2CCCN2Cc2ccc(C#N)cc2C)nc1 ZINC000934343213 1027975539 /nfs/dbraw/zinc/97/55/39/1027975539.db2.gz IEJYSEMXPOQIOM-LJQANCHMSA-N 0 1 307.397 3.607 20 30 DHEDMN N#Cc1ccc(C2(NCc3ccnn3CC3CCC3)CCC2)cc1 ZINC000601131361 1027996464 /nfs/dbraw/zinc/99/64/64/1027996464.db2.gz YJNUAINBLNQALT-UHFFFAOYSA-N 0 1 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/nfs/dbraw/zinc/21/06/66/1028210666.db2.gz XAVQXAFRNUDKCN-UHFFFAOYSA-N 0 1 311.295 3.549 20 30 DHEDMN COc1ccc(C#N)cc1CN1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000367872653 1028255382 /nfs/dbraw/zinc/25/53/82/1028255382.db2.gz HWAULVTUUIGLPZ-KSSFIOAISA-N 0 1 307.397 3.545 20 30 DHEDMN CCC(=[NH+][N-]c1ccncc1Cl)c1ccc(Cl)c(N)c1 ZINC000814869914 1028255839 /nfs/dbraw/zinc/25/58/39/1028255839.db2.gz FBZZETXOVAYZQH-UHFFFAOYSA-N 0 1 309.200 3.619 20 30 DHEDMN C[C@@H]1C(=NO[C@H]2CCCCO2)CCCN1Cc1ccccc1 ZINC000814886971 1028261547 /nfs/dbraw/zinc/26/15/47/1028261547.db2.gz DETYAOMSZUPDIB-QAPCUYQASA-N 0 1 302.418 3.570 20 30 DHEDMN C[C@H]1C(=NO[C@H]2CCCCO2)CCCN1Cc1ccccc1 ZINC000814886973 1028263884 /nfs/dbraw/zinc/26/38/84/1028263884.db2.gz DETYAOMSZUPDIB-YJBOKZPZSA-N 0 1 302.418 3.570 20 30 DHEDMN CC(N=Nc1ccccc1OC(F)(F)F)c1cccc(CO)c1 ZINC000814910556 1028275558 /nfs/dbraw/zinc/27/55/58/1028275558.db2.gz WTRAIKPHSYECLM-UHFFFAOYSA-N 0 1 324.302 3.914 20 30 DHEDMN Cc1cn[nH]c1CN[C@@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000368071494 1028295495 /nfs/dbraw/zinc/29/54/95/1028295495.db2.gz MXZGAGNDOZNNOY-LBPRGKRZSA-N 0 1 323.425 3.564 20 30 DHEDMN CCCN(Cc1ccc(C#N)cc1)Cc1cc(CO)ccc1F ZINC000528348896 1028330540 /nfs/dbraw/zinc/33/05/40/1028330540.db2.gz FYYIGPYYHDVQBT-UHFFFAOYSA-N 0 1 312.388 3.602 20 30 DHEDMN C[C@H](NCc1ccc(F)cc1C#N)[C@H]1OCCc2sccc21 ZINC000368355477 1028338362 /nfs/dbraw/zinc/33/83/62/1028338362.db2.gz PRWYIMQJLCBTJP-APPDUMDISA-N 0 1 316.401 3.551 20 30 DHEDMN C#CCOc1ccc([C@H](C)N[C@@H](C)c2ccncc2OC)cc1 ZINC000188767201 1028527707 /nfs/dbraw/zinc/52/77/07/1028527707.db2.gz DWMOETOTHJNQCO-GJZGRUSLSA-N 0 1 310.397 3.514 20 30 DHEDMN Cc1cc(C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)c(C)o1 ZINC000076365784 1028588376 /nfs/dbraw/zinc/58/83/76/1028588376.db2.gz CLHFSAPKHLPBGL-UHFFFAOYSA-N 0 1 316.748 3.971 20 30 DHEDMN COc1cc(C#N)ccc1CN[C@H](c1ccccn1)C1CCC1 ZINC000528662611 1028637311 /nfs/dbraw/zinc/63/73/11/1028637311.db2.gz WURBKCQSSIVLPK-IBGZPJMESA-N 0 1 307.397 3.593 20 30 DHEDMN Cc1cc(CN(C)[C@@H](CO)c2ccc(Cl)cc2)ccc1C#N ZINC000449459684 1028663261 /nfs/dbraw/zinc/66/32/61/1028663261.db2.gz YJXRCFYPQJWKOY-SFHVURJKSA-N 0 1 314.816 3.686 20 30 DHEDMN N#CCC[C@@H](C#N)C[N@@H+]1CC[C@H](Cc2cccc(Cl)c2)C1 ZINC000371362049 1028695434 /nfs/dbraw/zinc/69/54/34/1028695434.db2.gz WPIFGOUYBHDNGM-CVEARBPZSA-N 0 1 301.821 3.648 20 30 DHEDMN N#CCC[C@@H](C#N)CN1CC[C@H](Cc2cccc(Cl)c2)C1 ZINC000371362049 1028695442 /nfs/dbraw/zinc/69/54/42/1028695442.db2.gz WPIFGOUYBHDNGM-CVEARBPZSA-N 0 1 301.821 3.648 20 30 DHEDMN CC(C)CCn1nc(CN[C@H]2CC[C@H](C#N)C2)c2ccccc21 ZINC000449488836 1028699274 /nfs/dbraw/zinc/69/92/74/1028699274.db2.gz LPKOVENLNNINMQ-HOTGVXAUSA-N 0 1 310.445 3.864 20 30 DHEDMN CCOc1ccc(CN(Cc2ccc(C#N)cn2)C(C)C)cc1 ZINC000566419642 1028720512 /nfs/dbraw/zinc/72/05/12/1028720512.db2.gz WVODDRAZWZWHIP-UHFFFAOYSA-N 0 1 309.413 3.763 20 30 DHEDMN N#Cc1ccc(CN2CCC[C@]3(CCc4ccccc4O3)C2)s1 ZINC000528731269 1028736475 /nfs/dbraw/zinc/73/64/75/1028736475.db2.gz SRNOFBFTLLPDIU-IBGZPJMESA-N 0 1 324.449 3.980 20 30 DHEDMN CCSc1ccccc1C(C)N=Nc1cc(Cl)nc(N)n1 ZINC000778546228 1028758762 /nfs/dbraw/zinc/75/87/62/1028758762.db2.gz ADMYNBJRAFWMHI-UHFFFAOYSA-N 0 1 321.837 3.660 20 30 DHEDMN Cc1cc2ccc(Cl)cc2nc1NN=Cc1ccc(CO)o1 ZINC000778552780 1028781795 /nfs/dbraw/zinc/78/17/95/1028781795.db2.gz XQVCGOWUKANYLI-UHFFFAOYSA-N 0 1 315.760 3.728 20 30 DHEDMN COc1ccc(CN2CC(c3ccc(Cl)cc3)C2)cc1C#N ZINC000449556453 1028793784 /nfs/dbraw/zinc/79/37/84/1028793784.db2.gz MZPNGRRBIBEWFX-UHFFFAOYSA-N 0 1 312.800 3.820 20 30 DHEDMN Cc1ccc(Cl)cc1N(C)C(=O)c1ccc(C#N)c(O)c1 ZINC000567137352 1028843719 /nfs/dbraw/zinc/84/37/19/1028843719.db2.gz FXWUWOAQBLGHMV-UHFFFAOYSA-N 0 1 300.745 3.502 20 30 DHEDMN N#CCCCOc1cccc(CNCc2ccc(C#N)c(F)c2)c1 ZINC000449735979 1028953495 /nfs/dbraw/zinc/95/34/95/1028953495.db2.gz TYGLHCYUAAEOTR-UHFFFAOYSA-N 0 1 323.371 3.670 20 30 DHEDMN C(#Cc1ccccc1)CN1CC[C@]2(C1)CCc1ccccc1O2 ZINC000567968635 1028986885 /nfs/dbraw/zinc/98/68/85/1028986885.db2.gz SLSMQIOYTRHDGM-NRFANRHFSA-N 0 1 303.405 3.508 20 30 DHEDMN N#C[C@@H]1CCC[C@@H](N[C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000373322692 1029009042 /nfs/dbraw/zinc/00/90/42/1029009042.db2.gz CNBLRNLGUVTINF-ZMYBRWDISA-N 0 1 309.388 3.982 20 30 DHEDMN C[C@H](CCC#N)N1CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000411294612 1029091595 /nfs/dbraw/zinc/09/15/95/1029091595.db2.gz NDQZGVKAOOPKMY-HUUCEWRRSA-N 0 1 305.853 3.711 20 30 DHEDMN CCc1ccccc1C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000190914556 1029213072 /nfs/dbraw/zinc/21/30/72/1029213072.db2.gz SBQFLKNRCACFFG-OAHLLOKOSA-N 0 1 301.349 3.682 20 30 DHEDMN CCC[C@H](C)CC(=O)C(C#N)C(=O)Nc1ccccc1OCC ZINC000155471149 1029237671 /nfs/dbraw/zinc/23/76/71/1029237671.db2.gz HIFQPRJRECBUBB-KBPBESRZSA-N 0 1 316.401 3.559 20 30 DHEDMN CC(C)[C@H](NCc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 ZINC000569697351 1029252573 /nfs/dbraw/zinc/25/25/73/1029252573.db2.gz OGGFOSAJUZITJG-SFHVURJKSA-N 0 1 309.369 3.953 20 30 DHEDMN 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N#Cc1cc(Nc2ccc(OCC(F)F)cc2)c(O)cc1F ZINC001213309571 1033997256 /nfs/dbraw/zinc/99/72/56/1033997256.db2.gz CJJIOWCCKSIXML-UHFFFAOYSA-N 0 1 308.259 3.790 20 30 DHEDMN CCc1cccc(F)c1C=NN=c1[nH]c2cc(F)c(F)cc2[nH]1 ZINC000794489530 1033998654 /nfs/dbraw/zinc/99/86/54/1033998654.db2.gz XGZNWPBWZCLQQF-UHFFFAOYSA-N 0 1 318.302 3.989 20 30 DHEDMN Fc1cccc(F)c1NN=C1COCc2cccc(Cl)c21 ZINC000794516207 1034091346 /nfs/dbraw/zinc/09/13/46/1034091346.db2.gz ZVLIVTDTJYPLIL-UHFFFAOYSA-N 0 1 308.715 3.965 20 30 DHEDMN Cc1ccnc(NN=C(COC(F)(F)F)c2ccccc2)c1 ZINC000794515438 1034092635 /nfs/dbraw/zinc/09/26/35/1034092635.db2.gz AKWLBEOCBUZNNR-UHFFFAOYSA-N 0 1 309.291 3.743 20 30 DHEDMN COc1cc(C#N)ccc1CN1CCC[C@@H]1c1cncc(C)c1 ZINC000879750598 1034114683 /nfs/dbraw/zinc/11/46/83/1034114683.db2.gz YEQFLHWLMRXKLK-GOSISDBHSA-N 0 1 307.397 3.607 20 30 DHEDMN N#Cc1ccc(CN[C@@H]2CCOc3c(Cl)cccc32)s1 ZINC000176954536 1034123494 /nfs/dbraw/zinc/12/34/94/1034123494.db2.gz PBGFHTRXMQCNHE-CQSZACIVSA-N 0 1 304.802 3.887 20 30 DHEDMN C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000879826779 1034136918 /nfs/dbraw/zinc/13/69/18/1034136918.db2.gz PTNCIYFWQPWVIF-HNAYVOBHSA-N 0 1 323.440 3.681 20 30 DHEDMN Cc1csc([C@@H]2CCN(CC#Cc3cccc(Cl)c3)C2)n1 ZINC000880010379 1034183265 /nfs/dbraw/zinc/18/32/65/1034183265.db2.gz YQUOQNKSPLLDKE-OAHLLOKOSA-N 0 1 316.857 3.946 20 30 DHEDMN CC(=O)Nc1ccc2c(c1)CN([C@@H](C)c1cccc(C#N)c1)CC2 ZINC000880032467 1034192533 /nfs/dbraw/zinc/19/25/33/1034192533.db2.gz DGRDNPWTBVRJEI-AWEZNQCLSA-N 0 1 319.408 3.636 20 30 DHEDMN N#Cc1cccc(Nc2ccc3nccn3c2)c1Br ZINC001174279547 1034242684 /nfs/dbraw/zinc/24/26/84/1034242684.db2.gz FKVSKGICICOZMD-UHFFFAOYSA-N 0 1 313.158 3.712 20 30 DHEDMN N#Cc1cccc(C(F)(F)F)c1Nc1ccc2nccn2c1 ZINC001174278555 1034271353 /nfs/dbraw/zinc/27/13/53/1034271353.db2.gz YYHIKFOUYAWOIF-UHFFFAOYSA-N 0 1 302.259 3.968 20 30 DHEDMN COc1cccc([C@@H]2CCN(Cc3ccncc3C#N)C2(C)C)c1 ZINC000880285376 1034279489 /nfs/dbraw/zinc/27/94/89/1034279489.db2.gz 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N#Cc1ccc(CN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000192462572 1034804093 /nfs/dbraw/zinc/80/40/93/1034804093.db2.gz WOQAFOVRPRJRRD-UHFFFAOYSA-N 0 1 322.383 3.792 20 30 DHEDMN N#CCc1cccc2c1CCN(Cc1cc3ccncc3s1)C2 ZINC000600213675 1034807076 /nfs/dbraw/zinc/80/70/76/1034807076.db2.gz XPXGSUNCOJGPKX-UHFFFAOYSA-N 0 1 319.433 3.921 20 30 DHEDMN CN(CCc1cccc(C#N)c1)Cc1csc(-c2ccoc2)n1 ZINC001175522251 1035025812 /nfs/dbraw/zinc/02/58/12/1035025812.db2.gz FJRMDZHZXKDPAU-UHFFFAOYSA-N 0 1 323.421 3.949 20 30 DHEDMN Cc1ccc2[nH]ncc2c1Nc1cc(F)c(F)c(C#N)c1F ZINC001175527354 1035028673 /nfs/dbraw/zinc/02/86/73/1035028673.db2.gz JKPWKUCYZWIFGH-UHFFFAOYSA-N 0 1 302.259 3.904 20 30 DHEDMN CC(C)(C)C[N@H+](CCC#N)CCCc1ccc2c(c1)CCO2 ZINC000482165651 1035063086 /nfs/dbraw/zinc/06/30/86/1035063086.db2.gz RQRFNWACQVCYKF-UHFFFAOYSA-N 0 1 300.446 3.816 20 30 DHEDMN CC(C)(C)CN(CCC#N)CCCc1ccc2c(c1)CCO2 ZINC000482165651 1035063092 /nfs/dbraw/zinc/06/30/92/1035063092.db2.gz RQRFNWACQVCYKF-UHFFFAOYSA-N 0 1 300.446 3.816 20 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/nfs/dbraw/zinc/52/50/50/1035525050.db2.gz RHUHXOHRTYJSJI-CQSZACIVSA-N 0 1 316.401 3.703 20 30 DHEDMN CCOCc1nc(C)cc(N=NCc2cccc(Cl)c2F)n1 ZINC000905505048 1035547189 /nfs/dbraw/zinc/54/71/89/1035547189.db2.gz OEBLTVDFGRNFKK-UHFFFAOYSA-N 0 1 322.771 3.560 20 30 DHEDMN C#C[C@H](N[C@@H](C)c1cc2cccc(OCC)c2o1)[C@H]1CCCO1 ZINC000775571958 1035569364 /nfs/dbraw/zinc/56/93/64/1035569364.db2.gz NGFPWJXWEKOFFB-CWRNSKLLSA-N 0 1 313.397 3.663 20 30 DHEDMN CCC(CC)CN(CCC#N)C[C@@H]1C[C@]1(C)Br ZINC001180030510 1035569626 /nfs/dbraw/zinc/56/96/26/1035569626.db2.gz NUIVVSCQVSGZHE-KBPBESRZSA-N 0 1 301.272 3.812 20 30 DHEDMN Cc1cccc(CN2CCCN(c3ccccc3C#N)CC2)c1F ZINC001180184898 1035606794 /nfs/dbraw/zinc/60/67/94/1035606794.db2.gz UAFFIQAPTGKPGD-UHFFFAOYSA-N 0 1 323.415 3.718 20 30 DHEDMN N#Cc1cc(C(=O)N[C@H](c2ccccc2)C2CCCC2)ccc1O ZINC001193514891 1035656445 /nfs/dbraw/zinc/65/64/45/1035656445.db2.gz IFPFYCZMFLOUSO-LJQANCHMSA-N 0 1 320.392 3.925 20 30 DHEDMN C=CCCC[N@H+](CC)Cc1cc(C)c(OCC(=O)[O-])c(C)c1 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ZINC000462073970 333126412 /nfs/dbraw/zinc/12/64/12/333126412.db2.gz YWAAWZHKOASMNS-OAHLLOKOSA-N 0 1 311.454 3.721 20 30 DHEDMN C=CCN(Cc1ccccc1)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000107694662 333169312 /nfs/dbraw/zinc/16/93/12/333169312.db2.gz HHQDFHJNRIXJDW-UHFFFAOYSA-N 0 1 323.421 3.967 20 30 DHEDMN CCOc1ccccc1CN[C@H](C)c1ccc(OCC#N)cc1 ZINC000181999790 333174397 /nfs/dbraw/zinc/17/43/97/333174397.db2.gz CMLDCILMJPMDRX-OAHLLOKOSA-N 0 1 310.397 3.838 20 30 DHEDMN COc1ccsc1[C@@H](C)NCc1ccc(OCC#N)cc1 ZINC000186206333 333217786 /nfs/dbraw/zinc/21/77/86/333217786.db2.gz ZYMTUBGTHHHJJC-GFCCVEGCSA-N 0 1 302.399 3.510 20 30 DHEDMN N#Cc1c(Cl)cccc1NCCN1CCc2ccccc2C1 ZINC000497550973 333261632 /nfs/dbraw/zinc/26/16/32/333261632.db2.gz YEXIAUNJOGDMGG-UHFFFAOYSA-N 0 1 311.816 3.682 20 30 DHEDMN C=C(C)C[C@@H](C)C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000185490824 335136834 /nfs/dbraw/zinc/13/68/34/335136834.db2.gz MDHUGTOEDRBBSF-MLGOLLRUSA-N 0 1 313.401 3.955 20 30 DHEDMN C=CCC[C@H](C(=O)Nc1ccc2[nH]nnc2c1)c1ccccc1 ZINC000188569972 333375296 /nfs/dbraw/zinc/37/52/96/333375296.db2.gz TZRNWTSLLILBJH-HNNXBMFYSA-N 0 1 306.369 3.646 20 30 DHEDMN N#C[C@H]1CC[C@H](NCc2cccc(Br)c2Cl)C1 ZINC000414210716 333922208 /nfs/dbraw/zinc/92/22/08/333922208.db2.gz MYGRRAURYGCALP-ONGXEEELSA-N 0 1 313.626 3.884 20 30 DHEDMN COc1ccc(CN2CC=C(C)CC2)cc1OCCCC#N ZINC000271182943 334019664 /nfs/dbraw/zinc/01/96/64/334019664.db2.gz LRFCTEIIJZLOQO-UHFFFAOYSA-N 0 1 300.402 3.530 20 30 DHEDMN CC1(C#N)CCN(CCOc2ccccc2C(F)(F)F)CC1 ZINC000272633197 334038348 /nfs/dbraw/zinc/03/83/48/334038348.db2.gz WNGGAUCRLJAUTF-UHFFFAOYSA-N 0 1 312.335 3.710 20 30 DHEDMN CCCCCCCCCN[C@H](c1nnc[nH]1)c1cccnc1 ZINC000284047941 334142304 /nfs/dbraw/zinc/14/23/04/334142304.db2.gz KDXCQYGPDDWQIE-INIZCTEOSA-N 0 1 301.438 3.629 20 30 DHEDMN N#C[C@@H]1CCC[C@@H](NCc2c(F)cccc2N2CCCC2)C1 ZINC000286369419 334152940 /nfs/dbraw/zinc/15/29/40/334152940.db2.gz ACYPGIPOJAJFLG-HUUCEWRRSA-N 0 1 301.409 3.598 20 30 DHEDMN C[C@@H]1CN(Cc2ccccc2NCCC(C)(C)C#N)C[C@@H](C)O1 ZINC000288729615 334161940 /nfs/dbraw/zinc/16/19/40/334161940.db2.gz NMPUAAQQFYZYBZ-HZPDHXFCSA-N 0 1 315.461 3.648 20 30 DHEDMN CCOc1cc2c(cc1OCC)CN([C@@H]1CC[C@H](C#N)C1)CC2 ZINC000293661970 334200291 /nfs/dbraw/zinc/20/02/91/334200291.db2.gz YUJCDRRBBJSNDW-WMLDXEAASA-N 0 1 314.429 3.534 20 30 DHEDMN C=CCSc1ccccc1NC(=O)CN(C)C[C@H](C)CC ZINC000303440897 334320377 /nfs/dbraw/zinc/32/03/77/334320377.db2.gz FSOSDWQWFASKON-CQSZACIVSA-N 0 1 306.475 3.881 20 30 DHEDMN CC[C@H](C)[C@H](C)[N@@H+](Cc1cccc(C(=O)OC)c1C#N)C1CC1 ZINC000535206705 334380296 /nfs/dbraw/zinc/38/02/96/334380296.db2.gz OVDQTMYSBKMTDJ-KBPBESRZSA-N 0 1 314.429 3.744 20 30 DHEDMN CCC(=O)c1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cc1 ZINC000340940085 334395369 /nfs/dbraw/zinc/39/53/69/334395369.db2.gz BRJZSOZIPSMJHO-CQSZACIVSA-N 0 1 317.348 3.646 20 30 DHEDMN N#Cc1cccc(CN(Cc2cccc(O)c2)CC2CC2)c1F ZINC000340907507 334396755 /nfs/dbraw/zinc/39/67/55/334396755.db2.gz OZFPOGQIVNBVSM-UHFFFAOYSA-N 0 1 310.372 3.815 20 30 DHEDMN COCC1(C#N)CCN(Cc2cc3cc(C)c(C)cc3o2)CC1 ZINC000342823683 334575978 /nfs/dbraw/zinc/57/59/78/334575978.db2.gz WSUKWDBWMGYAHX-UHFFFAOYSA-N 0 1 312.413 3.802 20 30 DHEDMN C[C@H](NC(=O)c1c(O)cc(Cl)cc1Cl)[C@@H]1CCCOC1 ZINC000331229217 334843248 /nfs/dbraw/zinc/84/32/48/334843248.db2.gz GDDRHKAFHUPJHL-DTWKUNHWSA-N 0 1 318.200 3.819 20 30 DHEDMN COc1cc(CNCc2ccc(C#N)s2)cc(Cl)c1OC ZINC000344116406 335218566 /nfs/dbraw/zinc/21/85/66/335218566.db2.gz NZNWEMLHUVSZCP-UHFFFAOYSA-N 0 1 322.817 3.580 20 30 DHEDMN Cc1cccc2ncc(CN[C@@H](CCC#N)c3ccccc3)n21 ZINC000344825939 335281537 /nfs/dbraw/zinc/28/15/37/335281537.db2.gz MANRXMKETIWJOV-SFHVURJKSA-N 0 1 304.397 3.777 20 30 DHEDMN C=C(C)C[C@@H](C)C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C ZINC000345575040 335335478 /nfs/dbraw/zinc/33/54/78/335335478.db2.gz PIPHUHHHXIRMEA-CJNGLKHVSA-N 0 1 302.418 3.613 20 30 DHEDMN COc1cc(F)cc(CN[C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000346142313 335380916 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N#Cc1ccc(S(=O)(=O)Nc2csc3ccccc23)cc1 ZINC000351761533 336065722 /nfs/dbraw/zinc/06/57/22/336065722.db2.gz JWJWFVZKDNPUOL-UHFFFAOYSA-N 0 1 314.391 3.574 20 30 DHEDMN C[C@H](NC(=O)N1CC[C@H](n2cc(Cl)cn2)C1)C1CCCCC1 ZINC000329735420 336075392 /nfs/dbraw/zinc/07/53/92/336075392.db2.gz RYNDQJXIKWOOMU-WFASDCNBSA-N 0 1 324.856 3.666 20 30 DHEDMN C[C@@H](Cn1cccn1)[NH+]=C([O-])N1CCCC2(C1)CCCCCC2 ZINC000329830497 336087456 /nfs/dbraw/zinc/08/74/56/336087456.db2.gz SLMMMYVNQITQBS-INIZCTEOSA-N 0 1 318.465 3.622 20 30 DHEDMN C[C@H](Cn1ccnc1)[NH+]=C([O-])N1CCCC2(CCCCC2)CC1 ZINC000329864795 336090353 /nfs/dbraw/zinc/09/03/53/336090353.db2.gz SWHIALIFMJRYFZ-MRXNPFEDSA-N 0 1 318.465 3.622 20 30 DHEDMN CC(C)(C)c1cnc(NC(=O)N[C@@H]2CCCc3cn[nH]c32)s1 ZINC000330063132 336110586 /nfs/dbraw/zinc/11/05/86/336110586.db2.gz BHVWHBARFNIMKQ-SNVBAGLBSA-N 0 1 319.434 3.567 20 30 DHEDMN CC(C)CC[C@@H]1CCCCN1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000330145167 336117897 /nfs/dbraw/zinc/11/78/97/336117897.db2.gz 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/nfs/dbraw/zinc/39/50/38/600395038.db2.gz JMSFFRXYALTAEO-UHFFFAOYSA-N 0 1 322.408 3.910 20 30 DHEDMN N#Cc1cccc([C@@H](C(=O)[O-])[N@@H+]2CCC[C@H]2c2ccsc2)c1 ZINC000833074433 601312359 /nfs/dbraw/zinc/31/23/59/601312359.db2.gz XWWQDTKNZJHJTN-HOTGVXAUSA-N 0 1 312.394 3.583 20 30 DHEDMN N#Cc1cccc([C@@H](C(=O)[O-])[N@H+]2CCC[C@H]2c2ccsc2)c1 ZINC000833074433 601312362 /nfs/dbraw/zinc/31/23/62/601312362.db2.gz XWWQDTKNZJHJTN-HOTGVXAUSA-N 0 1 312.394 3.583 20 30 DHEDMN C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000828150818 601329255 /nfs/dbraw/zinc/32/92/55/601329255.db2.gz RHQGFZIOHBSRKP-CCKFTAQKSA-N 0 1 320.392 3.562 20 30 DHEDMN C#CC[N@H+](Cc1ccc(C(=O)[O-])s1)[C@H]1CCc2ccccc21 ZINC000825614672 601943004 /nfs/dbraw/zinc/94/30/04/601943004.db2.gz ULRZCOOYEAMNMY-INIZCTEOSA-N 0 1 311.406 3.569 20 30 DHEDMN CC(C)[N@@H+](Cc1ccc(C(=O)[O-])s1)Cc1ccc(C#N)cc1 ZINC000826951905 601944909 /nfs/dbraw/zinc/94/49/09/601944909.db2.gz UGNHGLLZGORCAV-UHFFFAOYSA-N 0 1 314.410 3.729 20 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ZINC000833374288 979173493 /nfs/dbraw/zinc/17/34/93/979173493.db2.gz FJJDWPIAQSJBQN-UHFFFAOYSA-N 0 1 310.806 3.616 20 30 DHEDMN C=CC[N@H+](Cc1c[nH]c(C(=O)[O-])c1)Cc1ccc(Cl)s1 ZINC000833374288 979173499 /nfs/dbraw/zinc/17/34/99/979173499.db2.gz FJJDWPIAQSJBQN-UHFFFAOYSA-N 0 1 310.806 3.616 20 30 DHEDMN CCC1(CC)CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC001595374593 980885443 /nfs/dbraw/zinc/88/54/43/980885443.db2.gz KBXKDYILUAJDHD-QGZVFWFLSA-N 0 1 314.429 3.976 20 30 DHEDMN Cc1cc(F)cc(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)c1 ZINC000442730926 1014722488 /nfs/dbraw/zinc/72/24/88/1014722488.db2.gz PWXWHFMCEJQRBN-AWEZNQCLSA-N 0 1 307.328 3.809 20 30 DHEDMN C=CCN(Cc1cccc(C#N)c1)Cc1ccc(C#N)c(OC)c1 ZINC000442810522 1014741023 /nfs/dbraw/zinc/74/10/23/1014741023.db2.gz NNJSLUNOKCRYDB-UHFFFAOYSA-N 0 1 317.392 3.627 20 30 DHEDMN N#CC1CCC(CN[C@H](c2ccc(F)cc2)c2cnccn2)CC1 ZINC000442852255 1014747433 /nfs/dbraw/zinc/74/74/33/1014747433.db2.gz HEKDSIUWDINTFL-JFIBYHEFSA-N 0 1 324.403 3.625 20 30 DHEDMN CC[C@](C)(C#N)NC(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843567394 1014747610 /nfs/dbraw/zinc/74/76/10/1014747610.db2.gz BOIVUZOFAYAAQG-GFCCVEGCSA-N 0 1 321.154 3.894 20 30 DHEDMN C#C[C@](C)(CC)[NH2+][C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001588367097 983296984 /nfs/dbraw/zinc/29/69/84/983296984.db2.gz ISNSLULEVPSVQO-GXTWGEPZSA-N 0 1 300.185 3.511 20 30 DHEDMN C=C(CC)C[N@H+](C)[C@@H](C(=O)[O-])c1ccc(Br)s1 ZINC001588605400 983692802 /nfs/dbraw/zinc/69/28/02/983692802.db2.gz CYTMXTVOMPBICL-LLVKDONJSA-N 0 1 318.236 3.534 20 30 DHEDMN C=C(CC)C[N@@H+](C)[C@@H](C(=O)[O-])c1ccc(Br)s1 ZINC001588605400 983692804 /nfs/dbraw/zinc/69/28/04/983692804.db2.gz CYTMXTVOMPBICL-LLVKDONJSA-N 0 1 318.236 3.534 20 30 DHEDMN C=CC[N@@H+](Cc1cc(C(=O)[O-])n(C)c1)Cc1ccc(Cl)s1 ZINC001588829277 984312856 /nfs/dbraw/zinc/31/28/56/984312856.db2.gz NPSHIVVAAVHTPY-UHFFFAOYSA-N 0 1 324.833 3.626 20 30 DHEDMN C=CC[N@H+](Cc1cc(C(=O)[O-])n(C)c1)Cc1ccc(Cl)s1 ZINC001588829277 984312859 /nfs/dbraw/zinc/31/28/59/984312859.db2.gz NPSHIVVAAVHTPY-UHFFFAOYSA-N 0 1 324.833 3.626 20 30 DHEDMN CCC[C@H](C)N(C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000341222950 1015029076 /nfs/dbraw/zinc/02/90/76/1015029076.db2.gz FQSCHSGRUQMBKL-AWEZNQCLSA-N 0 1 321.852 3.707 20 30 DHEDMN CC(=O)Nc1ccc(C(=O)/C=C\c2cc(F)c(O)c(F)c2)cc1 ZINC000588419251 1015086681 /nfs/dbraw/zinc/08/66/81/1015086681.db2.gz BDFRFBRPYDBQKZ-UQCOIBPSSA-N 0 1 317.291 3.525 20 30 DHEDMN C=C[C@H](CC(=O)Nc1cccc(-c2cn[nH]n2)c1)c1ccccc1 ZINC000443671011 1015096641 /nfs/dbraw/zinc/09/66/41/1015096641.db2.gz BRJGJLQYPYRWRW-CQSZACIVSA-N 0 1 318.380 3.770 20 30 DHEDMN Cc1cccc([C@H](C)N2CCN([C@H](C#N)c3ccccc3)CC2)c1 ZINC000487438961 1015196857 /nfs/dbraw/zinc/19/68/57/1015196857.db2.gz JHAMYQQRMVYAAH-GHTZIAJQSA-N 0 1 319.452 3.939 20 30 DHEDMN CC(C)N(Cc1cccs1)Cc1cnc2ccc(C#N)cn12 ZINC000350315745 1015231967 /nfs/dbraw/zinc/23/19/67/1015231967.db2.gz VDSAIEJVEOKGPN-UHFFFAOYSA-N 0 1 310.426 3.678 20 30 DHEDMN CC(C)(C#N)CCCC[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001589554203 987299723 /nfs/dbraw/zinc/29/97/23/987299723.db2.gz XSGASINCIBOPON-IAGOWNOFSA-N 0 1 314.429 3.507 20 30 DHEDMN CC(C)(C#N)c1ccc(C[N@@H+]2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC001589558004 987308399 /nfs/dbraw/zinc/30/83/99/987308399.db2.gz KESWEQDXIVIKGX-UHFFFAOYSA-N 0 1 320.392 3.702 20 30 DHEDMN CC(C)(C#N)c1ccc(C[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC001589558004 987308405 /nfs/dbraw/zinc/30/84/05/987308405.db2.gz KESWEQDXIVIKGX-UHFFFAOYSA-N 0 1 320.392 3.702 20 30 DHEDMN Clc1ccc(C#CCN2CCC(c3ccncc3)CC2)cc1 ZINC000191672474 1015303175 /nfs/dbraw/zinc/30/31/75/1015303175.db2.gz MXHVOKWONVHHLP-UHFFFAOYSA-N 0 1 310.828 3.966 20 30 DHEDMN C=CCOc1ccc(CN2CCC(O)(CC=C)CC2)cc1Cl ZINC000895835777 1015326860 /nfs/dbraw/zinc/32/68/60/1015326860.db2.gz OPPDDWUTLLJXPB-UHFFFAOYSA-N 0 1 321.848 3.808 20 30 DHEDMN C=CCN(Cc1cccs1)Cc1ccc(OC)c(OC)c1O ZINC000891510287 1015338925 /nfs/dbraw/zinc/33/89/25/1015338925.db2.gz SELKDLXBGKNTNF-UHFFFAOYSA-N 0 1 319.426 3.659 20 30 DHEDMN N#Cc1cc(CN2CCC([C@@H](O)c3ccccc3)CC2)cs1 ZINC000891555435 1015384977 /nfs/dbraw/zinc/38/49/77/1015384977.db2.gz SOVNFQOVYIMUDQ-SFHVURJKSA-N 0 1 312.438 3.565 20 30 DHEDMN Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000329135863 1015645108 /nfs/dbraw/zinc/64/51/08/1015645108.db2.gz GOXZABHWMXWLQH-DOMZBBRYSA-N 0 1 318.465 3.526 20 30 DHEDMN Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CC[C@@H](C)C2(CCC2)C1 ZINC000329135863 1015645113 /nfs/dbraw/zinc/64/51/13/1015645113.db2.gz GOXZABHWMXWLQH-DOMZBBRYSA-N 0 1 318.465 3.526 20 30 DHEDMN Cc1ccc2nc(CN[C@@H]3CCCc4cc(C#N)ccc43)cn2c1 ZINC000341699214 1015680712 /nfs/dbraw/zinc/68/07/12/1015680712.db2.gz RGNPTKNLYZEHSP-LJQANCHMSA-N 0 1 316.408 3.682 20 30 DHEDMN C[C@@H](NCc1cnc(-c2ccncc2)s1)c1cccc(C#N)c1 ZINC000610652108 1015689728 /nfs/dbraw/zinc/68/97/28/1015689728.db2.gz BUWYLIJQRVIZCE-CYBMUJFWSA-N 0 1 320.421 3.928 20 30 DHEDMN C[N@H+](Cc1c(C(=O)[O-])sc2cccc(F)c21)CC(C)(C)C#N ZINC001598505127 992492912 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/nfs/dbraw/zinc/92/82/72/1020928272.db2.gz FVONLIRGPUXHCS-ZFWWWQNUSA-N 0 1 302.443 3.788 20 30 DHEDMN C=CCC[C@H](CO)N[C@H](C)c1csc(-c2ccccc2)n1 ZINC000414138870 1020929687 /nfs/dbraw/zinc/92/96/87/1020929687.db2.gz FVONLIRGPUXHCS-UKRRQHHQSA-N 0 1 302.443 3.788 20 30 DHEDMN COc1ccc(CN=Nc2ccc3ccccc3n2)cc1C#N ZINC000741757271 1021048672 /nfs/dbraw/zinc/04/86/72/1021048672.db2.gz NTFNOVYWWLCFNH-UHFFFAOYSA-N 0 1 302.337 3.561 20 30 DHEDMN COc1ccc2c(c1)C(=NN=c1[nH]c3ccccc3[nH]1)CCC2 ZINC000741838057 1021059029 /nfs/dbraw/zinc/05/90/29/1021059029.db2.gz QMFXEMRCQHKJNX-UHFFFAOYSA-N 0 1 306.369 3.724 20 30 DHEDMN C[C@H](C#N)Oc1ccc(CN(C)Cc2ccc(Cl)nc2)cc1 ZINC000125726278 1032953890 /nfs/dbraw/zinc/95/38/90/1032953890.db2.gz NMCJEXUJTVFJNM-CYBMUJFWSA-N 0 1 315.804 3.658 20 30 DHEDMN N#CC(=C([O-])c1ccc2c(c1)CCOC2)c1nc(C2CC2)cs1 ZINC000659115926 1021176970 /nfs/dbraw/zinc/17/69/70/1021176970.db2.gz KEMNYWUXHWTAOA-HNNXBMFYSA-N 0 1 324.405 3.583 20 30 DHEDMN C=CCN(CC(=O)N[C@H](CC)c1ccccc1OCC)C(C)C 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Cc1ccc([N-]N=C2COc3cc(Cl)cc(Cl)c32)[nH+]c1 ZINC000743438446 1021298065 /nfs/dbraw/zinc/29/80/65/1021298065.db2.gz NMDGAGPLOODYEW-UHFFFAOYSA-N 0 1 308.168 3.905 20 30 DHEDMN C=CCCSc1nc(-c2ccccc2Br)n[nH]1 ZINC000128644161 1021307337 /nfs/dbraw/zinc/30/73/37/1021307337.db2.gz HIACLSCBVBONSE-UHFFFAOYSA-N 0 1 310.220 3.902 20 30 DHEDMN Cc1oc2ccc(NC(=O)c3ccc(C#N)c(O)c3)cc2c1C ZINC000189221846 1021351812 /nfs/dbraw/zinc/35/18/12/1021351812.db2.gz ARTVAOQALVWCLP-UHFFFAOYSA-N 0 1 306.321 3.879 20 30 DHEDMN C=CCCn1cc(CNc2ccc(N(CC)C(C)C)cc2)nn1 ZINC000850044797 1021404150 /nfs/dbraw/zinc/40/41/50/1021404150.db2.gz VTJIFUJFMBNTMB-UHFFFAOYSA-N 0 1 313.449 3.701 20 30 DHEDMN C[C@H]1CN(CCCC(C)(C)C#N)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000174861090 1021454264 /nfs/dbraw/zinc/45/42/64/1021454264.db2.gz FMCPACPRJVDVIW-GJZGRUSLSA-N 0 1 323.481 3.646 20 30 DHEDMN Cc1cccc2nc([C@@H](C#N)C(=O)C[C@H]3CCC4(CCC4)O3)[nH]c21 ZINC000892706985 1021517496 /nfs/dbraw/zinc/51/74/96/1021517496.db2.gz XYMLCROGIIDRSO-KGLIPLIRSA-N 0 1 323.396 3.539 20 30 DHEDMN Cc1cccc2nc([C@H](C#N)C(=O)C[C@H]3CCC4(CCC4)O3)[nH]c21 ZINC000892706996 1021521293 /nfs/dbraw/zinc/52/12/93/1021521293.db2.gz XYMLCROGIIDRSO-ZIAGYGMSSA-N 0 1 323.396 3.539 20 30 DHEDMN CC1(C)CC[C@@H]1C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000850759395 1021642367 /nfs/dbraw/zinc/64/23/67/1021642367.db2.gz IHDUEBNWSQWPKT-HZPDHXFCSA-N 0 1 320.392 3.923 20 30 DHEDMN N#C[C@H](C(=O)CC1(C#N)CCCCC1)c1cnc2ccccc2n1 ZINC000850985742 1021703856 /nfs/dbraw/zinc/70/38/56/1021703856.db2.gz LSQOCTYURPAYCI-AWEZNQCLSA-N 0 1 318.380 3.670 20 30 DHEDMN CCOC1(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)CCC1 ZINC000851006938 1021710403 /nfs/dbraw/zinc/71/04/03/1021710403.db2.gz GQNJZYKQDSVXFI-NSHDSACASA-N 0 1 306.431 3.576 20 30 DHEDMN CO[C@@H](C(=O)C(C#N)c1nc(C2CC2)cs1)C1CCCCC1 ZINC000851099913 1021738353 /nfs/dbraw/zinc/73/83/53/1021738353.db2.gz BHGULYUHUGCSAE-XJKSGUPXSA-N 0 1 318.442 3.792 20 30 DHEDMN C[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)C1 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C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000852100427 1022076838 /nfs/dbraw/zinc/07/68/38/1022076838.db2.gz HSCGKSSWULVSOJ-MEBBXXQBSA-N 0 1 313.228 3.712 20 30 DHEDMN C#C[C@](C)(CC)NCC(=O)Nc1ccccc1-c1ccccc1 ZINC000852101631 1022075108 /nfs/dbraw/zinc/07/51/08/1022075108.db2.gz SQYAAYGLSXZBGY-HXUWFJFHSA-N 0 1 306.409 3.684 20 30 DHEDMN C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000852101862 1022075717 /nfs/dbraw/zinc/07/57/17/1022075717.db2.gz TWEXDBLEIFMHRA-MEBBXXQBSA-N 0 1 313.228 3.712 20 30 DHEDMN C=CCN(Cc1cc2ccccc2c(Cl)n1)[C@@H](C)COC ZINC000852356751 1022113609 /nfs/dbraw/zinc/11/36/09/1022113609.db2.gz NDPPVAIHJTYBBT-ZDUSSCGKSA-N 0 1 304.821 3.911 20 30 DHEDMN N#Cc1ccc([C@H](O)CN2CC3(CCCC3)[C@H]2c2ccco2)cc1 ZINC000852426086 1022120646 /nfs/dbraw/zinc/12/06/46/1022120646.db2.gz HFIUPOCQYIKOGD-IEBWSBKVSA-N 0 1 322.408 3.802 20 30 DHEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000620314847 1022121205 /nfs/dbraw/zinc/12/12/05/1022121205.db2.gz 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/nfs/dbraw/zinc/32/28/07/1022322807.db2.gz ACZFXDNASOHBLO-UHFFFAOYSA-N 0 1 305.422 3.827 20 30 DHEDMN COc1ccc(C(=O)/C=C/c2cc(F)c(O)c(F)c2)c(OC)c1 ZINC000175314800 1022340661 /nfs/dbraw/zinc/34/06/61/1022340661.db2.gz CHNJYMKMYORMCB-ZZXKWVIFSA-N 0 1 320.291 3.584 20 30 DHEDMN N#Cc1cnn(-c2ccccc2)c1Nc1ccc(Cl)c(O)c1 ZINC001212589701 1022373488 /nfs/dbraw/zinc/37/34/88/1022373488.db2.gz ZQKQDUWPFJMPOR-UHFFFAOYSA-N 0 1 310.744 3.847 20 30 DHEDMN CN(C)Cc1cccc(N[C@](C)(C#N)c2ccccc2Cl)n1 ZINC001169380659 1022377508 /nfs/dbraw/zinc/37/75/08/1022377508.db2.gz FZBZXAZYIQLWQV-QGZVFWFLSA-N 0 1 314.820 3.647 20 30 DHEDMN C[C@H]1c2ccc(F)cc2CCN1CCOc1ccccc1C#N ZINC000610003898 1022400168 /nfs/dbraw/zinc/40/01/68/1022400168.db2.gz NNYGHFISHOTWRY-AWEZNQCLSA-N 0 1 310.372 3.695 20 30 DHEDMN CCCCCCCN1CC(C)(c2nnc(-c3cccnc3)o2)C1 ZINC000854081960 1022403112 /nfs/dbraw/zinc/40/31/12/1022403112.db2.gz ODSQGOZGFVNFFV-UHFFFAOYSA-N 0 1 314.433 3.675 20 30 DHEDMN CCOc1cc(/C=C/C(=O)c2ccc(O)c(F)c2)ccc1O ZINC000170851904 1022431919 /nfs/dbraw/zinc/43/19/19/1022431919.db2.gz ZECYMMPLQGKGHE-ZZXKWVIFSA-N 0 1 302.301 3.532 20 30 DHEDMN C=CCCc1ccccc1NC(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000337524587 1033050961 /nfs/dbraw/zinc/05/09/61/1033050961.db2.gz XFIINVUMJWHSFJ-UHFFFAOYSA-N 0 1 318.376 3.899 20 30 DHEDMN COc1ccccc1CN(C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000179588820 1022476093 /nfs/dbraw/zinc/47/60/93/1022476093.db2.gz UCDYOBGBFQABCW-HNNXBMFYSA-N 0 1 310.397 3.618 20 30 DHEDMN C=CCc1cc(CN[C@H](C)c2cccnc2)cc(OC)c1OC ZINC000112538687 1022515035 /nfs/dbraw/zinc/51/50/35/1022515035.db2.gz QZFLYILXLIFVCK-CQSZACIVSA-N 0 1 312.413 3.678 20 30 DHEDMN N#Cc1ccc(N2CCN(CCC3CCC3)CC2)c(Cl)c1 ZINC001169809827 1022551115 /nfs/dbraw/zinc/55/11/15/1022551115.db2.gz DNKLPSYVTRBHDH-UHFFFAOYSA-N 0 1 303.837 3.524 20 30 DHEDMN COc1cc(/C=C/C(=O)c2ccc(C)s2)cc([N+](=O)[O-])c1O ZINC000071795000 1022558844 /nfs/dbraw/zinc/55/88/44/1022558844.db2.gz SDGHQHFHZWLZMY-SNAWJCMRSA-N 0 1 319.338 3.575 20 30 DHEDMN Cc1cc2ccccc2nc1NN=Cc1cn2ccccc2n1 ZINC000776785049 1022566968 /nfs/dbraw/zinc/56/69/68/1022566968.db2.gz RCOXKPVMWDJDBG-UHFFFAOYSA-N 0 1 301.353 3.637 20 30 DHEDMN Cc1cc2ccccc2nc1N=NCc1cnn(C(C)(C)C)c1 ZINC000776785497 1022567005 /nfs/dbraw/zinc/56/70/05/1022567005.db2.gz HLPRUKWPPYWGEC-UHFFFAOYSA-N 0 1 307.401 3.941 20 30 DHEDMN COc1cc(CN=Nc2nc3ccccc3cc2C)ccc1O ZINC000776783381 1022573628 /nfs/dbraw/zinc/57/36/28/1022573628.db2.gz URRMBWGQEQOANZ-UHFFFAOYSA-N 0 1 307.353 3.703 20 30 DHEDMN C#CCOc1ccc(CN[C@@H](C)c2cc(C)ccc2OC)cc1 ZINC000113315409 1022627012 /nfs/dbraw/zinc/62/70/12/1022627012.db2.gz MXCUVVODXXMHIT-INIZCTEOSA-N 0 1 309.409 3.866 20 30 DHEDMN C[C@@H]1CC(N=Nc2ccc(F)cn2)CN(Cc2ccccc2)C1 ZINC000767378781 1022690186 /nfs/dbraw/zinc/69/01/86/1022690186.db2.gz RGFQWGITJIWWAZ-CQSZACIVSA-N 0 1 312.392 3.531 20 30 DHEDMN CC(=NNc1nc2ccccc2[nH]1)c1cnn(-c2ccccc2)c1 ZINC000746487295 1022786012 /nfs/dbraw/zinc/78/60/12/1022786012.db2.gz XJGDWBKHUVWRHR-UHFFFAOYSA-N 0 1 316.368 3.585 20 30 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3.526 20 30 DHEDMN N#Cc1csc(CN[C@@H]2CCCOc3cc(F)ccc32)c1 ZINC000181036269 1022913756 /nfs/dbraw/zinc/91/37/56/1022913756.db2.gz RCTRYYQJJFPVMQ-OAHLLOKOSA-N 0 1 302.374 3.762 20 30 DHEDMN C[C@H](C#N)Oc1ccc(CN2CC(C)(c3ccccc3)C2)cc1 ZINC000857058310 1022936967 /nfs/dbraw/zinc/93/69/67/1022936967.db2.gz LDNJAGVPMKTVSE-MRXNPFEDSA-N 0 1 306.409 3.751 20 30 DHEDMN C[C@H](C#N)Oc1ccc(CN2CC(Cc3ccsc3)C2)cc1 ZINC000857067669 1022940452 /nfs/dbraw/zinc/94/04/52/1022940452.db2.gz CUCRCMCCJISFRQ-CQSZACIVSA-N 0 1 312.438 3.713 20 30 DHEDMN Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCC1(C#N)CCC1 ZINC000418141720 1022975045 /nfs/dbraw/zinc/97/50/45/1022975045.db2.gz LNVVDUBNMDBZQG-CYBMUJFWSA-N 0 1 319.836 3.649 20 30 DHEDMN N#Cc1cnc(Cl)c(CN2CC[C@H](Cc3ccccc3)C2)c1 ZINC000876585584 1033099324 /nfs/dbraw/zinc/09/93/24/1033099324.db2.gz OXXIIRHQQWMDEB-OAHLLOKOSA-N 0 1 311.816 3.671 20 30 DHEDMN N#CC(C(=O)C1=CCCCC1)c1nc(-c2ccncc2)cs1 ZINC000123563922 1023046696 /nfs/dbraw/zinc/04/66/96/1023046696.db2.gz 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C#CC[C@H](OC(=O)c1ccc(-c2nnc(C3CC3)[nH]2)cc1)C(C)C ZINC000770881749 1023356921 /nfs/dbraw/zinc/35/69/21/1023356921.db2.gz OHAKJNPTOQHVGK-INIZCTEOSA-N 0 1 323.396 3.554 20 30 DHEDMN C#CCN1CCC(c2nc(-c3ccc4sccc4c3)no2)CC1 ZINC000770873848 1023362797 /nfs/dbraw/zinc/36/27/97/1023362797.db2.gz CUMKEKOUGHBRIR-UHFFFAOYSA-N 0 1 323.421 3.764 20 30 DHEDMN Cc1ccc(C(=O)/C=C/c2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000771512841 1023447406 /nfs/dbraw/zinc/44/74/06/1023447406.db2.gz FXZDAKSGTYUZTP-KPKJPENVSA-N 0 1 320.436 3.643 20 30 DHEDMN CC(=NNc1ccc([N+](=O)[O-])cc1Cl)c1cnccc1C ZINC000771563633 1023454629 /nfs/dbraw/zinc/45/46/29/1023454629.db2.gz NHAKGQGEEOAMLC-UHFFFAOYSA-N 0 1 304.737 3.788 20 30 DHEDMN C#CCN1CCC(C(=O)O[C@@H](C)c2cccc3ccccc32)CC1 ZINC000772113345 1023514369 /nfs/dbraw/zinc/51/43/69/1023514369.db2.gz MPUHWCYUXWYESU-INIZCTEOSA-N 0 1 321.420 3.789 20 30 DHEDMN CO[C@H](C(=O)C(C#N)c1nc2cc(Cl)ccc2s1)C1CC1 ZINC000796653814 1023535538 /nfs/dbraw/zinc/53/55/38/1023535538.db2.gz ZZQFNVAADZGKPD-YGRLFVJLSA-N 0 1 320.801 3.551 20 30 DHEDMN CC(C)(C)OC(=O)CN(CCCCC(C)(C)C#N)C1CCC1 ZINC000594056579 1023559539 /nfs/dbraw/zinc/55/95/39/1023559539.db2.gz WUGFHHMOMHTGBD-UHFFFAOYSA-N 0 1 308.466 3.903 20 30 DHEDMN C=CC[C@@H]1CCCN(CC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000661381022 1023581864 /nfs/dbraw/zinc/58/18/64/1023581864.db2.gz TTZXMKFLEOWQNJ-QGZVFWFLSA-N 0 1 300.446 3.838 20 30 DHEDMN C=C[C@](C)(CC)C(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000785591627 1023591647 /nfs/dbraw/zinc/59/16/47/1023591647.db2.gz FHKKGBUUZPCLRA-MGPLVRAMSA-N 0 1 305.809 3.996 20 30 DHEDMN C=CCCCCCN1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000785714020 1023612556 /nfs/dbraw/zinc/61/25/56/1023612556.db2.gz VABKCHWFISEULT-MOPGFXCFSA-N 0 1 303.446 3.557 20 30 DHEDMN CC(C)[C@@H](NCc1cccc(C#N)c1)c1nc2ccccc2[nH]1 ZINC000236739327 1023682217 /nfs/dbraw/zinc/68/22/17/1023682217.db2.gz BKNPLRMOQGPYOY-GOSISDBHSA-N 0 1 304.397 3.921 20 30 DHEDMN Cc1cc(C(=O)Nc2cc(C#N)ccc2O)c2nccc(C)c2c1 ZINC000786464329 1023698769 /nfs/dbraw/zinc/69/87/69/1023698769.db2.gz ABTMHMSRXDUYPE-UHFFFAOYSA-N 0 1 317.348 3.681 20 30 DHEDMN COc1cc(CN2CCC(S)CC2)cc(C(F)(F)F)c1 ZINC001143517905 1023743539 /nfs/dbraw/zinc/74/35/39/1023743539.db2.gz ZIOAUIVAZOUVMJ-UHFFFAOYSA-N 0 1 305.365 3.608 20 30 DHEDMN COc1cc([N+](=O)[O-])ccc1N=NCc1ccccc1Cl ZINC000746679453 1023790975 /nfs/dbraw/zinc/79/09/75/1023790975.db2.gz HDWHKWURYSKDJS-UHFFFAOYSA-N 0 1 305.721 3.703 20 30 DHEDMN N#C[C@@H](C(=O)c1cnc(-c2ccccc2)s1)c1ccccn1 ZINC000049458221 1023854578 /nfs/dbraw/zinc/85/45/78/1023854578.db2.gz OXENSDVWORRRNE-CYBMUJFWSA-N 0 1 305.362 3.695 20 30 DHEDMN N#CC(C(=O)c1cnc(-c2ccccc2)s1)c1ccccn1 ZINC000049458221 1023854583 /nfs/dbraw/zinc/85/45/83/1023854583.db2.gz OXENSDVWORRRNE-CYBMUJFWSA-N 0 1 305.362 3.695 20 30 DHEDMN Fc1cc(F)c(N=NCc2ccc(-c3cc[nH]n3)o2)cc1F ZINC000788428368 1023880434 /nfs/dbraw/zinc/88/04/34/1023880434.db2.gz NSQQQMWNFRACAU-UHFFFAOYSA-N 0 1 306.247 3.533 20 30 DHEDMN CC(N=Nc1ccc(C#N)c(Cl)c1)c1cn2ccccc2n1 ZINC000788438442 1023882508 /nfs/dbraw/zinc/88/25/08/1023882508.db2.gz JKUGQIWQTPQWCM-UHFFFAOYSA-N 0 1 309.760 3.695 20 30 DHEDMN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)Nc1ccc(C)cc1F ZINC000662079793 1023888529 /nfs/dbraw/zinc/88/85/29/1023888529.db2.gz MKAPRGPJWKFZHD-SOUVJXGZSA-N 0 1 302.393 3.644 20 30 DHEDMN C#CCn1ccc(CN(CC)c2cc(C)nc3ccc(F)cc32)n1 ZINC000788565253 1023905835 /nfs/dbraw/zinc/90/58/35/1023905835.db2.gz HAIRBFLFLNSWQY-UHFFFAOYSA-N 0 1 322.387 3.539 20 30 DHEDMN N#Cc1ccc(CNc2ccc(C3C=NC(=S)N3)cc2)cc1F ZINC001170094453 1023966792 /nfs/dbraw/zinc/96/67/92/1023966792.db2.gz PHVUUNJKHOOYGL-UHFFFAOYSA-N 0 1 324.384 3.988 20 30 DHEDMN C=CCC[C@H](O)CN1CCC[C@@H]1c1nc2ccccc2n1CC ZINC000268464331 1024117377 /nfs/dbraw/zinc/11/73/77/1024117377.db2.gz LGIRGUXECVFQIN-MAUKXSAKSA-N 0 1 313.445 3.520 20 30 DHEDMN C=CCCCC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000531359409 1024130198 /nfs/dbraw/zinc/13/01/98/1024130198.db2.gz SNXSFIULBOYHLE-KRWDZBQOSA-N 0 1 320.864 3.949 20 30 DHEDMN C[C@@H](c1cc(F)ccc1F)N(C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268582961 1024130750 /nfs/dbraw/zinc/13/07/50/1024130750.db2.gz CXQDWPMNTMIMKL-KPZWWZAWSA-N 0 1 316.351 3.563 20 30 DHEDMN CC[C@H](C#N)Oc1cccc(CNCc2ccc(SC)o2)c1 ZINC000883000273 1024204409 /nfs/dbraw/zinc/20/44/09/1024204409.db2.gz UZIWOJJVOCMMEY-CQSZACIVSA-N 0 1 316.426 3.972 20 30 DHEDMN COc1cccc(-c2nc(C=N[N-]c3[nH+]cccc3C)cs2)c1 ZINC000790192894 1024240395 /nfs/dbraw/zinc/24/03/95/1024240395.db2.gz JHWHZSSJNLOGGJ-UHFFFAOYSA-N 0 1 324.409 3.968 20 30 DHEDMN O=C1c2cc(F)cc(F)c2C/C1=C/c1cc(F)c(O)c(F)c1 ZINC000131174701 1024274666 /nfs/dbraw/zinc/27/46/66/1024274666.db2.gz VMIKENQERZQRJH-QPIMQUGISA-N 0 1 308.230 3.771 20 30 DHEDMN CC(=N[N-]c1[nH+]ccn1C)c1csc(-c2csc(C)n2)c1 ZINC000790299852 1024276714 /nfs/dbraw/zinc/27/67/14/1024276714.db2.gz LDQZIYULQABOLT-UHFFFAOYSA-N 0 1 317.443 3.750 20 30 DHEDMN C=CCC[C@H](NCc1ccn(C2CCCC2)n1)[C@H]1CCCO1 ZINC000883207376 1024286237 /nfs/dbraw/zinc/28/62/37/1024286237.db2.gz LUCNGCCLZPUWHI-ZWKOTPCHSA-N 0 1 303.450 3.602 20 30 DHEDMN C=CCC[C@@H](COc1ccccc1)N[C@H](C)c1nnc(C)s1 ZINC000883216137 1024295350 /nfs/dbraw/zinc/29/53/50/1024295350.db2.gz LOGFXXBRBZZGCO-HIFRSBDPSA-N 0 1 317.458 3.911 20 30 DHEDMN CC(C)(C)c1cnc(/C=C/C(=O)c2ccc(O)cc2O)s1 ZINC000790600916 1024333008 /nfs/dbraw/zinc/33/30/08/1024333008.db2.gz OVLFMTIWRVTHGN-VOTSOKGWSA-N 0 1 303.383 3.748 20 30 DHEDMN Cc1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c(C)[nH]1 ZINC000604005413 1024362958 /nfs/dbraw/zinc/36/29/58/1024362958.db2.gz DBKQOSGKASQVDZ-AWEZNQCLSA-N 0 1 322.393 3.640 20 30 DHEDMN Cc1cc(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)c(C)[nH]1 ZINC000604005413 1024362980 /nfs/dbraw/zinc/36/29/80/1024362980.db2.gz DBKQOSGKASQVDZ-AWEZNQCLSA-N 0 1 322.393 3.640 20 30 DHEDMN C#CC[N@H+](Cc1cc(=O)oc2cc(C)c(C)cc12)C1CCCC1 ZINC000756912481 1024381345 /nfs/dbraw/zinc/38/13/45/1024381345.db2.gz WEOGCXFHMCGFJF-UHFFFAOYSA-N 0 1 309.409 3.788 20 30 DHEDMN COCCN(Cc1ccc(C#N)s1)[C@@H](C)c1ccccc1 ZINC000271074999 1024454710 /nfs/dbraw/zinc/45/47/10/1024454710.db2.gz QPTIQNPJHZVRKN-AWEZNQCLSA-N 0 1 300.427 3.829 20 30 DHEDMN COc1cccc([C@H]2C[C@@H](C)CN2Cc2ccc(C#N)cn2)c1 ZINC000569235666 1024510048 /nfs/dbraw/zinc/51/00/48/1024510048.db2.gz XDWAJIRBLDEBJX-AUUYWEPGSA-N 0 1 307.397 3.545 20 30 DHEDMN C=CCN(Cc1ccc(OC)cc1)Cc1cccc(NC(C)=O)c1 ZINC000101545178 1024514168 /nfs/dbraw/zinc/51/41/68/1024514168.db2.gz SHTGUZPGLUUVQQ-UHFFFAOYSA-N 0 1 324.424 3.842 20 30 DHEDMN C#CCOc1ccccc1CN[C@@H](C)c1ccc2c(c1)COC2 ZINC000271522398 1024531141 /nfs/dbraw/zinc/53/11/41/1024531141.db2.gz VARFHZOKCXNEQU-HNNXBMFYSA-N 0 1 307.393 3.580 20 30 DHEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H]1c1ccsc1 ZINC000339140514 1024574903 /nfs/dbraw/zinc/57/49/03/1024574903.db2.gz FLCIEHOFMBKUPD-HOCLYGCPSA-N 0 1 306.475 3.698 20 30 DHEDMN CCCO[C@@H]1CCCN(Cc2cn3ccccc3c2C#N)CC1 ZINC000108394233 1024638747 /nfs/dbraw/zinc/63/87/47/1024638747.db2.gz MQQZBEYYYCGCKL-QGZVFWFLSA-N 0 1 311.429 3.592 20 30 DHEDMN C=CCN(Cc1cccs1)Cc1cc(OC)c(OC)cc1O ZINC000179603221 1024695557 /nfs/dbraw/zinc/69/55/57/1024695557.db2.gz OHXYVFDYWGXAII-UHFFFAOYSA-N 0 1 319.426 3.659 20 30 DHEDMN C=C[C@@H]1OCC[C@H]1NCc1cccc(Cl)c1Br ZINC001170351860 1024759305 /nfs/dbraw/zinc/75/93/05/1024759305.db2.gz ONQQDCYBMNBKSF-NEPJUHHUSA-N 0 1 316.626 3.536 20 30 DHEDMN Cc1cc(C=NNc2nnc(-c3ccccc3)n2C)c(C)s1 ZINC000760243246 1024801514 /nfs/dbraw/zinc/80/15/14/1024801514.db2.gz NVILOFDDOUJXQW-UHFFFAOYSA-N 0 1 311.414 3.606 20 30 DHEDMN Cc1cc(C=[NH+][N-]c2nnc(-c3ccccc3)n2C)c(C)s1 ZINC000760243246 1024801527 /nfs/dbraw/zinc/80/15/27/1024801527.db2.gz NVILOFDDOUJXQW-UHFFFAOYSA-N 0 1 311.414 3.606 20 30 DHEDMN Cc1cccnc1NN=C(C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000793050540 1024867347 /nfs/dbraw/zinc/86/73/47/1024867347.db2.gz BEMVNBDBBAMVDH-CQSZACIVSA-N 0 1 313.376 3.772 20 30 DHEDMN CC1(CNN=C2CCN(CCC(F)(F)F)CC2)CCCC1 ZINC000793082041 1024881258 /nfs/dbraw/zinc/88/12/58/1024881258.db2.gz UCGHBWMUIAXTDE-UHFFFAOYSA-N 0 1 305.388 3.561 20 30 DHEDMN CC(N=Nc1cccc(Cl)n1)c1ccc(F)cc1N(C)C ZINC000793163420 1024907073 /nfs/dbraw/zinc/90/70/73/1024907073.db2.gz KHYLAVGAQGKUOF-UHFFFAOYSA-N 0 1 306.772 3.776 20 30 DHEDMN FC(F)(F)c1cnc(C=NNc2cccc(Cl)n2)s1 ZINC000793181044 1024928913 /nfs/dbraw/zinc/92/89/13/1024928913.db2.gz HFBRCJHOCJBLJA-UHFFFAOYSA-N 0 1 306.700 3.656 20 30 DHEDMN C=CCOc1ccc(CNC(C)(C)c2c(C)noc2C)cc1 ZINC000353122500 1024956211 /nfs/dbraw/zinc/95/62/11/1024956211.db2.gz GNNYLHXZZWQEGY-UHFFFAOYSA-N 0 1 300.402 3.881 20 30 DHEDMN CC(C)C[C@H]1CCCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000119224983 1024958526 /nfs/dbraw/zinc/95/85/26/1024958526.db2.gz SCYZSABOBFLYNZ-MRXNPFEDSA-N 0 1 324.428 3.866 20 30 DHEDMN N#CC1(c2ccc(CNCc3cnn(CC4CCC4)c3)cc2)CC1 ZINC000897429725 1024966891 /nfs/dbraw/zinc/96/68/91/1024966891.db2.gz KDKSUZIJPDBMCQ-UHFFFAOYSA-N 0 1 320.440 3.528 20 30 DHEDMN N#Cc1cc(CN2CCC[C@@]3(C2)OCc2ccccc23)cs1 ZINC000893688058 1024969713 /nfs/dbraw/zinc/96/97/13/1024969713.db2.gz PTKSZMQGDKQMFP-SFHVURJKSA-N 0 1 310.422 3.641 20 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COc1ccc(OC)c([C@H](C)N[C@H]2CCc3ccc(C#N)cc32)c1 ZINC000589337167 1038461886 /nfs/dbraw/zinc/46/18/86/1038461886.db2.gz NLSLSOFVXBCASX-DJJJIMSYSA-N 0 1 322.408 3.914 20 30 DHEDMN Cc1cc(F)ccc1C1CCN(Cc2ccnc(C#N)c2)CC1 ZINC000589998431 1038562480 /nfs/dbraw/zinc/56/24/80/1038562480.db2.gz JTIPXDKXLMQDMA-UHFFFAOYSA-N 0 1 309.388 3.780 20 30 DHEDMN C=CC[C@@H](NC(=O)c1c(O)ccc(F)c1F)c1ccccc1 ZINC001192785222 1038699470 /nfs/dbraw/zinc/69/94/70/1038699470.db2.gz XKRVEZLJAIHFRS-CYBMUJFWSA-N 0 1 303.308 3.718 20 30 DHEDMN COc1ccc(CN2CC(CC3CC3)C2)cc1OCCCC#N ZINC000598677744 1038817140 /nfs/dbraw/zinc/81/71/40/1038817140.db2.gz IJYLEINVZIHEMZ-UHFFFAOYSA-N 0 1 314.429 3.610 20 30 DHEDMN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cn2cccc(F)c2n1 ZINC000591357481 1038837122 /nfs/dbraw/zinc/83/71/22/1038837122.db2.gz FTIVYCJJFUJOSB-SFHVURJKSA-N 0 1 320.371 3.512 20 30 DHEDMN CC(C)(C)c1[nH]n(C[C@H]2CCC(F)(F)C2)c(=O)c1CCC#N ZINC000591366386 1038843480 /nfs/dbraw/zinc/84/34/80/1038843480.db2.gz RFBNUDWWPQWTKW-NSHDSACASA-N 0 1 311.376 3.778 20 30 DHEDMN C[C@H](c1cccc(C#N)c1)n1cc(CN(C)C2CCCCC2)nn1 ZINC000603235125 1038876408 /nfs/dbraw/zinc/87/64/08/1038876408.db2.gz OIPJDKHJXSKUKP-OAHLLOKOSA-N 0 1 323.444 3.524 20 30 DHEDMN CC[C@@H](NC[C@@H](n1cccn1)C(F)(F)F)c1ccc(C#N)cc1 ZINC000599058353 1039016871 /nfs/dbraw/zinc/01/68/71/1039016871.db2.gz SRVHZGNCQBSMMG-HUUCEWRRSA-N 0 1 322.334 3.599 20 30 DHEDMN C=CCCCCCN[C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000573697594 1039057098 /nfs/dbraw/zinc/05/70/98/1039057098.db2.gz WCHWEYIDBZVWLS-SFHVURJKSA-N 0 1 301.409 3.985 20 30 DHEDMN N#Cc1cnccc1CN1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000592070993 1039116312 /nfs/dbraw/zinc/11/63/12/1039116312.db2.gz BYXRHJIRDGCDTQ-NRFANRHFSA-N 0 1 317.436 3.823 20 30 DHEDMN Cc1cccc(O[C@H]2CCCC[C@H]2NCc2ccncc2C#N)c1 ZINC000592107009 1039116649 /nfs/dbraw/zinc/11/66/49/1039116649.db2.gz CGFDBBLPXNYINP-UXHICEINSA-N 0 1 321.424 3.742 20 30 DHEDMN C[C@]1(Cc2ccccc2F)CCCN1Cc1ccncc1C#N ZINC000592143562 1039138328 /nfs/dbraw/zinc/13/83/28/1039138328.db2.gz IEDKHSZTVWFLIR-LJQANCHMSA-N 0 1 309.388 3.690 20 30 DHEDMN COC[C@@H](NCc1ccc(C)c(C#N)c1)c1cccc(Cl)c1 ZINC000599421054 1039149206 /nfs/dbraw/zinc/14/92/06/1039149206.db2.gz LGMSYWHUVASHSV-GOSISDBHSA-N 0 1 314.816 3.997 20 30 DHEDMN C[C@@H](c1ccc(C#N)cc1)N1CCc2c(CC#N)cccc2C1 ZINC000599679828 1039266725 /nfs/dbraw/zinc/26/67/25/1039266725.db2.gz YBVJPFFCBPSXJR-HNNXBMFYSA-N 0 1 301.393 3.744 20 30 DHEDMN COc1ccc([C@H]2CCN(Cc3ccccc3C#N)C2)cc1F ZINC000599681673 1039269257 /nfs/dbraw/zinc/26/92/57/1039269257.db2.gz YCVIIVUUFPIMTA-KRWDZBQOSA-N 0 1 310.372 3.695 20 30 DHEDMN N#CCC[C@H](C#N)CN1CCC2(CCc3ccccc3C2)CC1 ZINC000593036443 1039358981 /nfs/dbraw/zinc/35/89/81/1039358981.db2.gz GOVKODPUXWNYAT-QGZVFWFLSA-N 0 1 307.441 3.701 20 30 DHEDMN CN(Cc1ccc(C#N)cc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000593030850 1039361686 /nfs/dbraw/zinc/36/16/86/1039361686.db2.gz OAHWUJKPINAVMA-UHFFFAOYSA-N 0 1 309.369 3.834 20 30 DHEDMN N#C[C@@H]1CC[C@@H](NCc2cccc(Oc3ccc(F)cc3)n2)C1 ZINC000593661022 1039582376 /nfs/dbraw/zinc/58/23/76/1039582376.db2.gz VVXWUDFLTWTAQX-UKRRQHHQSA-N 0 1 311.360 3.795 20 30 DHEDMN C=CCCCN1CCN([C@@H](C)c2nc3ccccc3s2)CC1 ZINC000605149607 1039639799 /nfs/dbraw/zinc/63/97/99/1039639799.db2.gz BXCOPAINXVZTIY-HNNXBMFYSA-N 0 1 315.486 3.941 20 30 DHEDMN N#Cc1ccc(CN2CCCC[C@@H]2Cc2ccccc2F)nc1 ZINC000594014772 1039662267 /nfs/dbraw/zinc/66/22/67/1039662267.db2.gz KDNQMNLXGINVIG-GOSISDBHSA-N 0 1 309.388 3.690 20 30 DHEDMN Cc1ccc2c(c1)[C@H](NCc1ccc(C3(C#N)CC3)cc1)CO2 ZINC000594930768 1039921260 /nfs/dbraw/zinc/92/12/60/1039921260.db2.gz IRVVUOCBYSLVRC-GOSISDBHSA-N 0 1 304.393 3.774 20 30 DHEDMN Cc1ccc(C=Cc2n[nH]c(SCC3(CC#N)CC3)n2)o1 ZINC000594886245 1039932491 /nfs/dbraw/zinc/93/24/91/1039932491.db2.gz WCGMMCHKKBBRQS-SNAWJCMRSA-N 0 1 300.387 3.663 20 30 DHEDMN CCc1sc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cc1C ZINC000046706340 1039936028 /nfs/dbraw/zinc/93/60/28/1039936028.db2.gz UVURVWYSGFSXRW-LLVKDONJSA-N 0 1 309.394 3.985 20 30 DHEDMN COCC[C@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccco1 ZINC000594944254 1039956416 /nfs/dbraw/zinc/95/64/16/1039956416.db2.gz SAXHIIXCLXUJKF-KRWDZBQOSA-N 0 1 310.397 3.702 20 30 DHEDMN Cc1ccc(CNCC2(C#N)CCCCC2)c(-c2cnn(C)c2)c1 ZINC000594980776 1039990350 /nfs/dbraw/zinc/99/03/50/1039990350.db2.gz ABJMZNCHMUUNMI-UHFFFAOYSA-N 0 1 322.456 3.959 20 30 DHEDMN C[C@@H](NCc1c(C#N)cccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000594041054 1040007315 /nfs/dbraw/zinc/00/73/15/1040007315.db2.gz JEFWNDKXPMKMBV-LLVKDONJSA-N 0 1 323.343 3.770 20 30 DHEDMN COC[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1cccc(OC)c1 ZINC000595064729 1040028268 /nfs/dbraw/zinc/02/82/68/1040028268.db2.gz ATOJKTKGKARDFU-PMACEKPBSA-N 0 1 322.408 3.531 20 30 DHEDMN COC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000595069251 1040030298 /nfs/dbraw/zinc/03/02/98/1040030298.db2.gz QRVAAFWIJCQZHU-IFXJQAMLSA-N 0 1 310.397 3.605 20 30 DHEDMN CC[C@H](N[C@H](COC)c1cccc(OC)c1)c1ccc(C#N)cc1 ZINC000595069892 1040033850 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C[C@@H]1CN(Cc2c(C#N)cccc2[N+](=O)[O-])CCc2ccccc21 ZINC000593089876 1040192354 /nfs/dbraw/zinc/19/23/54/1040192354.db2.gz FXRYSWUAKCDHCU-CQSZACIVSA-N 0 1 321.380 3.628 20 30 DHEDMN N#Cc1ccc(-c2nnc(CN3CCC(C4CCC4)CC3)o2)cc1 ZINC000595658672 1040215817 /nfs/dbraw/zinc/21/58/17/1040215817.db2.gz GZAGPSDREZDXTE-UHFFFAOYSA-N 0 1 322.412 3.620 20 30 DHEDMN N#CC(C(=O)[C@H]1C[C@@]12CCCc1ccccc12)c1ccccn1 ZINC000173950104 1040465575 /nfs/dbraw/zinc/46/55/75/1040465575.db2.gz ZRIUOHRMVINTCU-XAUMDUMWSA-N 0 1 302.377 3.552 20 30 DHEDMN CC1(C)CN(CCCOc2cccc(C#N)c2)[C@H]1c1cccnc1 ZINC000596592437 1040504982 /nfs/dbraw/zinc/50/49/82/1040504982.db2.gz NEYFDBGSBWJNHO-IBGZPJMESA-N 0 1 321.424 3.805 20 30 DHEDMN COc1ccc(CNCc2cc(Cl)ccc2OC)cc1C#N ZINC000174315600 1040622435 /nfs/dbraw/zinc/62/24/35/1040622435.db2.gz CLEPHZNKAOOYGJ-UHFFFAOYSA-N 0 1 316.788 3.519 20 30 DHEDMN N#Cc1ccccc1OCCSc1nc(-c2ccccc2)n[nH]1 ZINC000060426686 1040642536 /nfs/dbraw/zinc/64/25/36/1040642536.db2.gz LKBVMMCGRSCIDO-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/83/24/21/1040832421.db2.gz QSORPBNILPILRL-NSHDSACASA-N 0 1 321.302 3.860 20 30 DHEDMN N#CC1(CC(=O)Nc2nc3ccc(F)cc3[nH]2)CCCCC1 ZINC000597581360 1040837823 /nfs/dbraw/zinc/83/78/23/1040837823.db2.gz GJNRPKGUQZWZPP-UHFFFAOYSA-N 0 1 300.337 3.505 20 30 DHEDMN CC(C)(C)c1nc(CCNCc2cccc(F)c2C#N)cs1 ZINC000602014794 1040849466 /nfs/dbraw/zinc/84/94/66/1040849466.db2.gz GGIVSFARXBCBOO-UHFFFAOYSA-N 0 1 317.433 3.784 20 30 DHEDMN CC(C)c1nc(CCNCc2cccc(F)c2C#N)cs1 ZINC000601998620 1040853818 /nfs/dbraw/zinc/85/38/18/1040853818.db2.gz HTBTVEUINZVXBS-UHFFFAOYSA-N 0 1 303.406 3.610 20 30 DHEDMN CC(C)(C)c1csc(CCNCc2cccc(F)c2C#N)n1 ZINC000602005456 1040856257 /nfs/dbraw/zinc/85/62/57/1040856257.db2.gz XRABUJIHOKKHTE-UHFFFAOYSA-N 0 1 317.433 3.784 20 30 DHEDMN N#Cc1cccc(CN2CCC(c3c[nH]c4ccccc43)CC2)n1 ZINC000602435283 1041034572 /nfs/dbraw/zinc/03/45/72/1041034572.db2.gz TULCLQLORLVUGR-UHFFFAOYSA-N 0 1 316.408 3.814 20 30 DHEDMN CCOc1ccc(CN(Cc2cccc(C#N)n2)C(C)C)cc1 ZINC000602443306 1041035696 /nfs/dbraw/zinc/03/56/96/1041035696.db2.gz CAXKERUDQFYRLJ-UHFFFAOYSA-N 0 1 309.413 3.763 20 30 DHEDMN CC(=O)c1ccc(C#N)c(NCc2nc3ccc(C)cc3[nH]2)c1 ZINC000347423006 1041078049 /nfs/dbraw/zinc/07/80/49/1041078049.db2.gz RQFDIPIXIAQAIW-UHFFFAOYSA-N 0 1 304.353 3.558 20 30 DHEDMN CC(C)(C)OCc1cccc(CNCc2cccc(C#N)n2)c1 ZINC000602527206 1041090751 /nfs/dbraw/zinc/09/07/51/1041090751.db2.gz MWEPIYVODFSHDK-UHFFFAOYSA-N 0 1 309.413 3.558 20 30 DHEDMN CCOC(=O)CN(C[C@H](C)CCC#N)[C@H](C)c1ccccc1 ZINC000602584503 1041113017 /nfs/dbraw/zinc/11/30/17/1041113017.db2.gz CXORBHSCFANLLT-HZPDHXFCSA-N 0 1 302.418 3.553 20 30 DHEDMN COc1ccccc1[C@@H](NC1CCC(C#N)CC1)c1ccccn1 ZINC000602581571 1041113623 /nfs/dbraw/zinc/11/36/23/1041113623.db2.gz URPWPXNZQTTXHE-ALLBUHFWSA-N 0 1 321.424 3.852 20 30 DHEDMN C[C@@H](CCC#N)CN[C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000602610622 1041125133 /nfs/dbraw/zinc/12/51/33/1041125133.db2.gz HMSHEOCGQDCZBU-SUMWQHHRSA-N 0 1 316.836 3.692 20 30 DHEDMN C[C@H](NC1CCC(C#N)CC1)c1nc(C2CCCCC2)no1 ZINC000602649611 1041132224 /nfs/dbraw/zinc/13/22/24/1041132224.db2.gz XVMJHESZGQCCAO-OPFPJEHXSA-N 0 1 302.422 3.850 20 30 DHEDMN COc1cccc(Cl)c1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602633988 1041138060 /nfs/dbraw/zinc/13/80/60/1041138060.db2.gz NHRPZAYVLCTKSF-ZDUSSCGKSA-N 0 1 322.836 3.537 20 30 DHEDMN N#CCC1(CN2CCCN(c3ccccc3Cl)CC2)CC1 ZINC000602825454 1041243826 /nfs/dbraw/zinc/24/38/26/1041243826.db2.gz BBYADWVSRLHFDI-UHFFFAOYSA-N 0 1 303.837 3.546 20 30 DHEDMN Cc1cc(C)c(CN2CCc3c(CC#N)cccc3C2)c(C)n1 ZINC000602919998 1041319034 /nfs/dbraw/zinc/31/90/34/1041319034.db2.gz ZEXWDPHSZQKQFA-UHFFFAOYSA-N 0 1 305.425 3.631 20 30 DHEDMN N#Cc1ccc(F)c(CN2CCC3(CCSCC3)CC2)c1 ZINC000602947625 1041322962 /nfs/dbraw/zinc/32/29/62/1041322962.db2.gz QOEXLKJZEMLGON-UHFFFAOYSA-N 0 1 304.434 3.807 20 30 DHEDMN Cc1cccc(C)c1NC(=O)CCCN(C)[C@@H]1CCC[C@H]1C#N ZINC000602975499 1041335992 /nfs/dbraw/zinc/33/59/92/1041335992.db2.gz BYHKWSPRVKIWKS-DLBZAZTESA-N 0 1 313.445 3.646 20 30 DHEDMN C[C@H](c1nc2ccccc2s1)N(C)C[C@@H](O)CC(C)(C)C#N ZINC000598595818 1041355027 /nfs/dbraw/zinc/35/50/27/1041355027.db2.gz WIXOZRWMBLMUQB-OLZOCXBDSA-N 0 1 317.458 3.590 20 30 DHEDMN C=CCC[C@H](NCc1ccc(C(=O)NCC)cc1)c1ccco1 ZINC000285799802 335029333 /nfs/dbraw/zinc/02/93/33/335029333.db2.gz VFGYKZOVVWRLRT-KRWDZBQOSA-N 0 1 312.413 3.826 20 30 DHEDMN C=CCOc1ccc(CN(C)[C@H](C)c2ccccn2)cc1OC ZINC000183675356 335037357 /nfs/dbraw/zinc/03/73/57/335037357.db2.gz QGZFZDVYZQNUAA-OAHLLOKOSA-N 0 1 312.413 3.848 20 30 DHEDMN C=CCc1cc(CN(C)[C@H](C)c2ccccn2)cc(OC)c1O ZINC000183679876 335037461 /nfs/dbraw/zinc/03/74/61/335037461.db2.gz QLKVOHRATKEIQM-CQSZACIVSA-N 0 1 312.413 3.717 20 30 DHEDMN C=CCc1cc(CN2CCC[C@@H]2c2ccncc2)cc(OC)c1O ZINC000289678639 335062448 /nfs/dbraw/zinc/06/24/48/335062448.db2.gz DYFWFCIKSZAROG-GOSISDBHSA-N 0 1 324.424 3.861 20 30 DHEDMN C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccccc1N(C)C ZINC000272185689 130005251 /nfs/dbraw/zinc/00/52/51/130005251.db2.gz GKUFRZDUFJUHKV-OAHLLOKOSA-N 0 1 305.425 3.964 20 30 DHEDMN COc1ccc([C@H](C)NC2(c3cccc(C#N)c3)CC2)c(OC)c1 ZINC000272206979 130006924 /nfs/dbraw/zinc/00/69/24/130006924.db2.gz KBUBXSHOWSHAJB-AWEZNQCLSA-N 0 1 322.408 3.915 20 30 DHEDMN Cc1nc2sccn2c1CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000275642655 130353413 /nfs/dbraw/zinc/35/34/13/130353413.db2.gz OMICZKNYIFHFML-CYBMUJFWSA-N 0 1 310.426 3.769 20 30 DHEDMN COc1ccc([C@H](C)NC2(c3cccc(C#N)c3)CC2)cc1O ZINC000290770961 131516064 /nfs/dbraw/zinc/51/60/64/131516064.db2.gz SFWHBAYGUGIXFJ-ZDUSSCGKSA-N 0 1 308.381 3.612 20 30 DHEDMN N#Cc1cccc(CNCc2cccc(NC(=O)C3CCC3)c2)c1 ZINC000045822660 132166874 /nfs/dbraw/zinc/16/68/74/132166874.db2.gz DORRYOGMBJBHIV-UHFFFAOYSA-N 0 1 319.408 3.587 20 30 DHEDMN Cc1nc(NC[C@H](c2ccccc2Cl)N(C)C)ccc1C#N ZINC000487948258 435630835 /nfs/dbraw/zinc/63/08/35/435630835.db2.gz ZNLQUPMFIWJEJO-MRXNPFEDSA-N 0 1 314.820 3.630 20 30 DHEDMN C[C@H](NCc1cccc2c1OCCCO2)c1ccc(C#N)cc1 ZINC000078973564 331678588 /nfs/dbraw/zinc/67/85/88/331678588.db2.gz XHIGGZBBIYFADU-AWEZNQCLSA-N 0 1 308.381 3.570 20 30 DHEDMN C=CCCOCCN[C@@H](C)c1ccc(F)cc1Br ZINC000090883808 332053739 /nfs/dbraw/zinc/05/37/39/332053739.db2.gz IAGZTHYQYORXBK-NSHDSACASA-N 0 1 316.214 3.832 20 30 DHEDMN C=CCCCCCN(C)[C@H](C)c1nc(-c2cccnc2)no1 ZINC000150901581 332198001 /nfs/dbraw/zinc/19/80/01/332198001.db2.gz CTQIHMQRLQVUMU-CQSZACIVSA-N 0 1 300.406 3.871 20 30 DHEDMN COc1ccccc1C[C@H](C)N(C)Cc1cc(F)ccc1C#N ZINC000323105816 332208430 /nfs/dbraw/zinc/20/84/30/332208430.db2.gz DCRPVSLRXKKMEI-AWEZNQCLSA-N 0 1 312.388 3.769 20 30 DHEDMN C=CCC(F)(F)C(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000292960582 335098339 /nfs/dbraw/zinc/09/83/39/335098339.db2.gz JKEQAKGRMPNHOC-CQSZACIVSA-N 0 1 319.355 3.746 20 30 DHEDMN N#Cc1ccc2ncc(CNC3(c4ccc(Cl)cc4)CC3)n2c1 ZINC000560244099 332322390 /nfs/dbraw/zinc/32/23/90/332322390.db2.gz WCIBSWPHQSAYCC-UHFFFAOYSA-N 0 1 322.799 3.638 20 30 DHEDMN CC(=O)Nc1ccc(CN[C@H](CCC#N)c2ccccc2)cc1 ZINC000130422398 332537200 /nfs/dbraw/zinc/53/72/00/332537200.db2.gz OVKBHOXAPNGOEH-LJQANCHMSA-N 0 1 307.397 3.780 20 30 DHEDMN COc1ccc(C)cc1[C@H](C)NCc1ccc(OCC#N)cc1 ZINC000170668484 332635984 /nfs/dbraw/zinc/63/59/84/332635984.db2.gz VUVQSTCTOJJUPH-HNNXBMFYSA-N 0 1 310.397 3.757 20 30 DHEDMN CC(C)(C)OC(=O)Nc1cccc(CN2CCC(C#N)CC2)c1 ZINC000153369036 332717430 /nfs/dbraw/zinc/71/74/30/332717430.db2.gz ZUNFCVGJPULELY-UHFFFAOYSA-N 0 1 315.417 3.769 20 30 DHEDMN C=CCC[C@@H](C)N[C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000185126538 335115063 /nfs/dbraw/zinc/11/50/63/335115063.db2.gz MYLCUNGPHUZXIY-CHWSQXEVSA-N 0 1 301.390 3.751 20 30 DHEDMN CC(=O)Nc1cccc(CN(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000170644002 333037947 /nfs/dbraw/zinc/03/79/47/333037947.db2.gz ADNPCYPTWUDTSP-UHFFFAOYSA-N 0 1 319.408 3.681 20 30 DHEDMN N#CCCC1CCN(CC(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000516648421 333130678 /nfs/dbraw/zinc/13/06/78/333130678.db2.gz SWDDOMQNQANSGY-UHFFFAOYSA-N 0 1 314.473 3.788 20 30 DHEDMN CC[C@H](C)C[N@@H+](CC)CC(=O)Nc1ccccc1SCC#N ZINC000177853564 333132686 /nfs/dbraw/zinc/13/26/86/333132686.db2.gz NFNDJFWCEUJLIU-AWEZNQCLSA-N 0 1 319.474 3.609 20 30 DHEDMN O=C(CC(F)(F)F)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000182759333 333180106 /nfs/dbraw/zinc/18/01/06/333180106.db2.gz WNIKPUBFKFFKOD-VIFPVBQESA-N 0 1 321.167 3.637 20 30 DHEDMN N#C[C@H]1CCC[C@H](NCc2nccn2CCCc2ccccc2)C1 ZINC000192939256 333295849 /nfs/dbraw/zinc/29/58/49/333295849.db2.gz VUWXFFRBVTXXQA-OALUTQOASA-N 0 1 322.456 3.688 20 30 DHEDMN COc1ccccc1NC1CCN(CC#Cc2ccccc2)CC1 ZINC000365234740 333399603 /nfs/dbraw/zinc/39/96/03/333399603.db2.gz PZCKYACUPBTJPS-UHFFFAOYSA-N 0 1 320.436 3.623 20 30 DHEDMN C=CCC[C@H](O)CN[C@H](CC)c1nc(C(F)(F)F)cs1 ZINC000185977874 335155400 /nfs/dbraw/zinc/15/54/00/335155400.db2.gz CSFVNMIQARVYIC-VHSXEESVSA-N 0 1 308.369 3.530 20 30 DHEDMN N#Cc1ccc(C(=O)Nc2ccnc(-c3ccccc3)c2)cc1O ZINC000442961357 338440287 /nfs/dbraw/zinc/44/02/87/338440287.db2.gz AWDYSNICAZPZMY-UHFFFAOYSA-N 0 1 315.332 3.578 20 30 DHEDMN N#C[C@H]1CC[C@@H](NCc2cccc(Br)c2Cl)C1 ZINC000414210708 333922204 /nfs/dbraw/zinc/92/22/04/333922204.db2.gz MYGRRAURYGCALP-GXSJLCMTSA-N 0 1 313.626 3.884 20 30 DHEDMN CCN(CC)[C@H](C(=O)Nc1ccc(CC#N)cc1)c1ccccc1 ZINC000264185770 333954595 /nfs/dbraw/zinc/95/45/95/333954595.db2.gz PBYVEUGQHLRELJ-IBGZPJMESA-N 0 1 321.424 3.774 20 30 DHEDMN N#Cc1csc(CN2C[C@H](c3ccccc3)C3(CCC3)C2)n1 ZINC000414514981 334003831 /nfs/dbraw/zinc/00/38/31/334003831.db2.gz SOOJJDMZOVMPBY-MRXNPFEDSA-N 0 1 309.438 3.784 20 30 DHEDMN Cc1ccc2c(c1C)OC[C@H]2N[C@H](C)c1ccc(OCC#N)cc1 ZINC000271873235 334028075 /nfs/dbraw/zinc/02/80/75/334028075.db2.gz NHJRKRAOZAURIV-DNVCBOLYSA-N 0 1 322.408 3.990 20 30 DHEDMN CCCOc1cc(CN2CCC(C)(C#N)CC2)ccc1OC ZINC000272492149 334035333 /nfs/dbraw/zinc/03/53/33/334035333.db2.gz DYHSTAZFFAGDPD-UHFFFAOYSA-N 0 1 302.418 3.610 20 30 DHEDMN CCOc1cc(CN2CCC(C)(C#N)CC2)ccc1OC(F)F ZINC000272585815 334037847 /nfs/dbraw/zinc/03/78/47/334037847.db2.gz ZBTAIRNJCATRLJ-UHFFFAOYSA-N 0 1 324.371 3.812 20 30 DHEDMN N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000414634308 334048784 /nfs/dbraw/zinc/04/87/84/334048784.db2.gz BKXJDNJVLBYSKY-RTBURBONSA-N 0 1 320.392 3.657 20 30 DHEDMN CC(C)(C#N)CCCCSc1nc(-c2cccnc2)n[nH]1 ZINC000277743848 334090568 /nfs/dbraw/zinc/09/05/68/334090568.db2.gz QJQIAEQPJKRTLP-UHFFFAOYSA-N 0 1 301.419 3.679 20 30 DHEDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000281236331 334124265 /nfs/dbraw/zinc/12/42/65/334124265.db2.gz PFLGULSVRQPPEM-UHFFFAOYSA-N 0 1 318.327 3.709 20 30 DHEDMN C=C(C)COc1cccc(NC(=O)c2cc(-c3ccco3)n[nH]2)c1 ZINC000340146256 334136235 /nfs/dbraw/zinc/13/62/35/334136235.db2.gz DOKXOMIDCPNQBE-UHFFFAOYSA-N 0 1 323.352 3.877 20 30 DHEDMN N#C[C@@H]1CCC[C@H](NCc2c(F)cccc2N2CCCC2)C1 ZINC000286369415 334152884 /nfs/dbraw/zinc/15/28/84/334152884.db2.gz ACYPGIPOJAJFLG-CABCVRRESA-N 0 1 301.409 3.598 20 30 DHEDMN C[C@H]1CN(Cc2ccccc2NCCC(C)(C)C#N)C[C@H](C)O1 ZINC000288729613 334162035 /nfs/dbraw/zinc/16/20/35/334162035.db2.gz NMPUAAQQFYZYBZ-HOTGVXAUSA-N 0 1 315.461 3.648 20 30 DHEDMN CN(Cc1nc(-c2cccs2)no1)CC(C)(C)CCC#N ZINC000289582071 334166631 /nfs/dbraw/zinc/16/66/31/334166631.db2.gz UAXHSHBAHJAZIP-UHFFFAOYSA-N 0 1 304.419 3.560 20 30 DHEDMN N#C[C@]1(C(=O)Nc2cc(F)cc(Cl)c2O)CC12CCCC2 ZINC000294965134 334214973 /nfs/dbraw/zinc/21/49/73/334214973.db2.gz KJJKIHKIIJJZSK-HNNXBMFYSA-N 0 1 308.740 3.597 20 30 DHEDMN COc1ccc(C#N)cc1CN(CCC(F)(F)F)CC1CC1 ZINC000156722762 334228701 /nfs/dbraw/zinc/22/87/01/334228701.db2.gz PQEDMBNXHWNEGU-UHFFFAOYSA-N 0 1 312.335 3.731 20 30 DHEDMN Cc1oc(NC(=O)CN(C)CCC2CCCCC2)c(C#N)c1C ZINC000101565821 334327708 /nfs/dbraw/zinc/32/77/08/334327708.db2.gz OPWVPNXHCFNCJI-UHFFFAOYSA-N 0 1 317.433 3.609 20 30 DHEDMN C=CCC(CC=C)C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000121222278 334343719 /nfs/dbraw/zinc/34/37/19/334343719.db2.gz FKANLJHQJXONPJ-QGZVFWFLSA-N 0 1 316.445 3.691 20 30 DHEDMN Cc1ccc(Cl)cc1N1CCN(CCC(C)(C)C#N)CC1 ZINC000534951988 334352330 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ZINC000527984811 337777622 /nfs/dbraw/zinc/77/76/22/337777622.db2.gz ZTOCMYWMBRBNDM-WPRPVWTQSA-N 0 1 315.161 3.509 20 30 DHEDMN Cc1nn(-c2ccccc2)c(C)c1CNCc1cccc(C#N)c1 ZINC000011092109 337799915 /nfs/dbraw/zinc/79/99/15/337799915.db2.gz RYCIKCXAZUOULJ-UHFFFAOYSA-N 0 1 316.408 3.651 20 30 DHEDMN N#C[C@H]1CC[C@@H](N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000424326516 337821318 /nfs/dbraw/zinc/82/13/18/337821318.db2.gz MACGNSHEXGPUAS-YJLNNSPDSA-N 0 1 321.380 3.966 20 30 DHEDMN CC(C)(CNCCC#N)c1ccc(Br)cc1Cl ZINC000515166430 337980971 /nfs/dbraw/zinc/98/09/71/337980971.db2.gz OWCWASCAHUBGPC-UHFFFAOYSA-N 0 1 315.642 3.883 20 30 DHEDMN N#Cc1c(F)cccc1CN1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000428247727 338044301 /nfs/dbraw/zinc/04/43/01/338044301.db2.gz VCURNCPOGPGPTJ-OAHLLOKOSA-N 0 1 312.363 3.901 20 30 DHEDMN CC[C@@H](C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)N(C)C ZINC000428360028 338048751 /nfs/dbraw/zinc/04/87/51/338048751.db2.gz BDUHMJZADOTADC-KRWDZBQOSA-N 0 1 323.396 3.629 20 30 DHEDMN C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1CCC(C)(C)C#N ZINC000428993118 338068036 /nfs/dbraw/zinc/06/80/36/338068036.db2.gz CRZZMPJZDWDBOS-CYBMUJFWSA-N 0 1 323.843 3.929 20 30 DHEDMN Cc1csc(C(C#N)C(=O)c2cnc3c(F)cccc3c2)n1 ZINC000429691802 338087522 /nfs/dbraw/zinc/08/75/22/338087522.db2.gz PICVAPGEDFFZOO-GFCCVEGCSA-N 0 1 311.341 3.629 20 30 DHEDMN Cc1csc([C@H](C#N)C(=O)c2cnc3c(F)cccc3c2)n1 ZINC000429691802 338087523 /nfs/dbraw/zinc/08/75/23/338087523.db2.gz PICVAPGEDFFZOO-GFCCVEGCSA-N 0 1 311.341 3.629 20 30 DHEDMN CC(C)(CO)[C@H](NCc1cc(C#N)ccc1F)c1ccccc1 ZINC000429726333 338088391 /nfs/dbraw/zinc/08/83/91/338088391.db2.gz PPHFCQSGGKLYQG-GOSISDBHSA-N 0 1 312.388 3.547 20 30 DHEDMN Cc1ccn(C)c1C(O)=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430610609 338109853 /nfs/dbraw/zinc/10/98/53/338109853.db2.gz LIZHIRRRGKKMTD-NSHDSACASA-N 0 1 301.415 3.578 20 30 DHEDMN N#Cc1ccc(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)o1 ZINC000431338616 338128509 /nfs/dbraw/zinc/12/85/09/338128509.db2.gz PDELEZWTCSPCEV-UHFFFAOYSA-N 0 1 318.292 3.540 20 30 DHEDMN Cc1nn(-c2ccncc2)cc1CNc1ccc(Cl)c(C#N)c1 ZINC000432419106 338155776 /nfs/dbraw/zinc/15/57/76/338155776.db2.gz YXTOLUOWFOZPIK-UHFFFAOYSA-N 0 1 323.787 3.713 20 30 DHEDMN CC(C)C1CCC(N(C)CC(=O)Nc2sccc2C#N)CC1 ZINC000433182710 338184600 /nfs/dbraw/zinc/18/46/00/338184600.db2.gz OVOLSVNKGNCVAR-UHFFFAOYSA-N 0 1 319.474 3.705 20 30 DHEDMN CC(=Cc1cccc(C(F)(F)F)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435337833 338237408 /nfs/dbraw/zinc/23/74/08/338237408.db2.gz YKMZXQZIACUZBF-TWGQIWQCSA-N 0 1 319.286 3.529 20 30 DHEDMN CC(=Cc1ccc(-c2ccccc2)o1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435339954 338237465 /nfs/dbraw/zinc/23/74/65/338237465.db2.gz ZLLBEFYCXHMRKE-BENRWUELSA-N 0 1 317.348 3.771 20 30 DHEDMN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](CCc1ccccc1)C(F)F ZINC000436292752 338266780 /nfs/dbraw/zinc/26/67/80/338266780.db2.gz LXOALRFRTAYSSL-BBWFWOEESA-N 0 1 309.400 3.824 20 30 DHEDMN CCCN(Cc1ccc(C#N)cc1Cl)C[C@@H]1CCCCO1 ZINC000439434940 338369191 /nfs/dbraw/zinc/36/91/91/338369191.db2.gz FYFJWLMLOGFWAK-INIZCTEOSA-N 0 1 306.837 3.993 20 30 DHEDMN COc1ccccc1CCN(C)Cc1ccc(C#N)cc1Cl ZINC000439451568 338369960 /nfs/dbraw/zinc/36/99/60/338369960.db2.gz MPSWLOJWXOAZQS-UHFFFAOYSA-N 0 1 314.816 3.895 20 30 DHEDMN C=C[C@@H]1OCCC[C@H]1NCc1nc(-c2cccs2)oc1C ZINC000451669357 338741428 /nfs/dbraw/zinc/74/14/28/338741428.db2.gz AKHHRPKZCQCUIN-OCCSQVGLSA-N 0 1 304.415 3.535 20 30 DHEDMN C[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(F)cc1N(C)C ZINC000453375147 338833726 /nfs/dbraw/zinc/83/37/26/338833726.db2.gz HPFBDFFBMBZJDK-LBPRGKRZSA-N 0 1 315.367 3.753 20 30 DHEDMN N#Cc1cccc([N+](=O)[O-])c1CN1CC[C@@H](Cc2ccccc2)C1 ZINC000459339852 339023004 /nfs/dbraw/zinc/02/30/04/339023004.db2.gz MHJFEGNYDSJLKL-INIZCTEOSA-N 0 1 321.380 3.531 20 30 DHEDMN C[C@H]1[C@H](c2ccccc2)CCN1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459346229 339023429 /nfs/dbraw/zinc/02/34/29/339023429.db2.gz PYOHFTKUUJRBQB-WMLDXEAASA-N 0 1 321.380 3.844 20 30 DHEDMN C[C@H]1[C@@H](c2ccccc2)CCN1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459346230 339023486 /nfs/dbraw/zinc/02/34/86/339023486.db2.gz PYOHFTKUUJRBQB-YOEHRIQHSA-N 0 1 321.380 3.844 20 30 DHEDMN CC#CCCCC(=O)Nc1nc(-c2cccc3ccccc32)n[nH]1 ZINC000469203649 339283018 /nfs/dbraw/zinc/28/30/18/339283018.db2.gz TYTGBTVGSFGZPY-UHFFFAOYSA-N 0 1 318.380 3.757 20 30 DHEDMN C=CCOCCCN1C[C@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000470774376 339327620 /nfs/dbraw/zinc/32/76/20/339327620.db2.gz SMKKGEPKDTWTKR-PKOBYXMFSA-N 0 1 303.446 3.658 20 30 DHEDMN C=C(C)CN(CC)C(=O)CN[C@H](C)c1cc2cccc(F)c2o1 ZINC000475722745 339460574 /nfs/dbraw/zinc/46/05/74/339460574.db2.gz LQXPDXUMSGGYJW-CYBMUJFWSA-N 0 1 318.392 3.647 20 30 DHEDMN C=CCN1CC[C@@H](N(C)[C@H](C)c2ccc(C(C)(C)C)cc2)C1=O ZINC000499986096 340048144 /nfs/dbraw/zinc/04/81/44/340048144.db2.gz AYQUBWQHEGLMQA-CRAIPNDOSA-N 0 1 314.473 3.764 20 30 DHEDMN C=CCOc1ccc(CN2CCC(C)(OC)CC2)cc1Cl ZINC000500735317 340066177 /nfs/dbraw/zinc/06/61/77/340066177.db2.gz OUIYESYCAAFHLM-UHFFFAOYSA-N 0 1 309.837 3.906 20 30 DHEDMN C=CCCc1ccccc1NC(=O)NCC[N@H+](C)CCCC ZINC000505060227 340160307 /nfs/dbraw/zinc/16/03/07/340160307.db2.gz DRMOXRWRMFTYCX-UHFFFAOYSA-N 0 1 303.450 3.659 20 30 DHEDMN C=CCOc1cccc(CN(C)Cc2ccc3c(c2)OCO3)c1 ZINC000506055209 340184429 /nfs/dbraw/zinc/18/44/29/340184429.db2.gz IHFWMCCFXKANRS-UHFFFAOYSA-N 0 1 311.381 3.612 20 30 DHEDMN C[C@@H](C(=O)Nc1ccccc1C#N)N(C)CCC1CCCCC1 ZINC000507585986 340225656 /nfs/dbraw/zinc/22/56/56/340225656.db2.gz OJMZCRKIOJLHJB-HNNXBMFYSA-N 0 1 313.445 3.787 20 30 DHEDMN C=C(C)CN(CC)C(=O)CN(C)CCc1cccc2ccccc21 ZINC000303138356 340304316 /nfs/dbraw/zinc/30/43/16/340304316.db2.gz PNEQVPVGEFGGFH-UHFFFAOYSA-N 0 1 324.468 3.739 20 30 DHEDMN C=C(C)CN(CCO[C@H]1CCCC[C@H]1C)Cc1ccc(CO)o1 ZINC000512197531 340351783 /nfs/dbraw/zinc/35/17/83/340351783.db2.gz RAVDCQJPVQMGNY-APWZRJJASA-N 0 1 321.461 3.745 20 30 DHEDMN C[C@H](c1ccccc1)N(CC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000512263400 340354650 /nfs/dbraw/zinc/35/46/50/340354650.db2.gz SJGWSPBKXLGATK-OAHLLOKOSA-N 0 1 319.408 3.722 20 30 DHEDMN C=C[C@](C)(CC)C(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000187678962 340521843 /nfs/dbraw/zinc/52/18/43/340521843.db2.gz KLDPEHSINARSMF-GOSISDBHSA-N 0 1 318.486 3.776 20 30 DHEDMN COC[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(Cl)cc1 ZINC000193680719 340581505 /nfs/dbraw/zinc/58/15/05/340581505.db2.gz AQCPUGVUOXOBEE-QGZVFWFLSA-N 0 1 318.779 3.828 20 30 DHEDMN C=CCNC(=O)CN[C@H](CCC)c1ccc(Cl)c(Cl)c1 ZINC000539255716 340878672 /nfs/dbraw/zinc/87/86/72/340878672.db2.gz PPLHJKYQUGXGKP-CQSZACIVSA-N 0 1 315.244 3.726 20 30 DHEDMN COC[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccc(F)cc1 ZINC000539608554 340892382 /nfs/dbraw/zinc/89/23/82/340892382.db2.gz RCIPKKVBRCQAIJ-XIKOKIGWSA-N 0 1 316.351 3.875 20 30 DHEDMN C=CCCC[C@@H](C)N1CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000541989856 340992512 /nfs/dbraw/zinc/99/25/12/340992512.db2.gz XTRXKRFSSXAFMH-QGZVFWFLSA-N 0 1 315.461 3.889 20 30 DHEDMN CC(C)n1cc([C@H](C)NCC#Cc2ccccc2Cl)cn1 ZINC000544467540 341083390 /nfs/dbraw/zinc/08/33/90/341083390.db2.gz BHPREVPPFJDQSS-AWEZNQCLSA-N 0 1 301.821 3.820 20 30 DHEDMN N#CC1(CSc2nc(-c3cc(F)cc(F)c3)n[nH]2)CCC1 ZINC000564289343 341121283 /nfs/dbraw/zinc/12/12/83/341121283.db2.gz UZPDSUSZXUFQGJ-UHFFFAOYSA-N 0 1 306.341 3.536 20 30 DHEDMN CCC[C@H](C#N)NC(=O)c1cccc2nc(-c3cccs3)[nH]c21 ZINC000545377756 341123522 /nfs/dbraw/zinc/12/35/22/341123522.db2.gz FSEZGVOZDGZUOL-LLVKDONJSA-N 0 1 324.409 3.713 20 30 DHEDMN COc1ccccc1[C@H]1CCN(CC#Cc2ccc(F)cc2)C1 ZINC000132473294 341123965 /nfs/dbraw/zinc/12/39/65/341123965.db2.gz VYHMXNXBSSRBKG-KRWDZBQOSA-N 0 1 309.384 3.675 20 30 DHEDMN CC[C@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)N(C)C ZINC000132484041 341124401 /nfs/dbraw/zinc/12/44/01/341124401.db2.gz LKKFMEVWCNSBHX-GOSISDBHSA-N 0 1 323.396 3.629 20 30 DHEDMN N#Cc1ccc(C=Cc2nc(-c3ccc4[nH]cnc4c3)no2)cc1 ZINC000545726389 341138172 /nfs/dbraw/zinc/13/81/72/341138172.db2.gz BKOWBQDPJZVWPZ-YVMONPNESA-N 0 1 313.320 3.655 20 30 DHEDMN C=CCCC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000076738142 341213414 /nfs/dbraw/zinc/21/34/14/341213414.db2.gz WLRASGZOEABXOD-UHFFFAOYSA-N 0 1 301.217 3.830 20 30 DHEDMN C=CCCCN(C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000076738142 341213415 /nfs/dbraw/zinc/21/34/15/341213415.db2.gz WLRASGZOEABXOD-UHFFFAOYSA-N 0 1 301.217 3.830 20 30 DHEDMN CCCO[C@@H]1CCCN(CC#Cc2ccccc2Cl)CC1 ZINC000135063693 341230167 /nfs/dbraw/zinc/23/01/67/341230167.db2.gz LKHNYGPKPGCTQT-QGZVFWFLSA-N 0 1 305.849 3.973 20 30 DHEDMN C=CC[N@H+](Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000564355388 341270795 /nfs/dbraw/zinc/27/07/95/341270795.db2.gz JUDAUEGAFVJXSD-OAQYLSRUSA-N 0 1 306.453 3.949 20 30 DHEDMN COc1cc(CN[C@H](C)c2nccc3ccccc32)ccc1C#N ZINC000555002799 341472524 /nfs/dbraw/zinc/47/25/24/341472524.db2.gz LWLNHYVOCKPWRY-CQSZACIVSA-N 0 1 317.392 3.966 20 30 DHEDMN C=C(C)CN(CC)C(=O)CN[C@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000568886611 341684438 /nfs/dbraw/zinc/68/44/38/341684438.db2.gz YIAYBOMQYINCDW-RDTXWAMCSA-N 0 1 320.864 3.589 20 30 DHEDMN Cc1cccc(NC2CCN(Cc3ccccc3C#N)CC2)c1 ZINC000172590768 341801310 /nfs/dbraw/zinc/80/13/10/341801310.db2.gz JQQNIMPGRYVULK-UHFFFAOYSA-N 0 1 305.425 3.943 20 30 DHEDMN CCOc1ccccc1[C@@H](C)NCc1ccc(OC)c(C#N)c1 ZINC000266223288 521572223 /nfs/dbraw/zinc/57/22/23/521572223.db2.gz RTANNFHUSMICLV-CQSZACIVSA-N 0 1 310.397 3.816 20 30 DHEDMN COC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(F)c(F)c1 ZINC000182609573 522374545 /nfs/dbraw/zinc/37/45/45/522374545.db2.gz ZQMDPFVPKSOVNX-KPZWWZAWSA-N 0 1 316.351 3.875 20 30 DHEDMN CC[C@@H](NCc1cc(C#N)n(C)c1)c1ccccc1OC(F)F ZINC000190752711 522868212 /nfs/dbraw/zinc/86/82/12/522868212.db2.gz KTOQGVOACDKTQP-OAHLLOKOSA-N 0 1 319.355 3.739 20 30 DHEDMN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC2(CCCC2)CC1 ZINC000102827090 524279474 /nfs/dbraw/zinc/27/94/74/524279474.db2.gz FKDNJNNUOKWYOM-HNNXBMFYSA-N 0 1 311.429 3.541 20 30 DHEDMN C[C@H](NCCSCc1ccccc1C#N)c1cscn1 ZINC000271068047 525360545 /nfs/dbraw/zinc/36/05/45/525360545.db2.gz DMTVJSMCABJYOU-LBPRGKRZSA-N 0 1 303.456 3.599 20 30 DHEDMN C[C@@H](c1ccc(C#N)cc1)N1CCC(C(=O)OC(C)(C)C)CC1 ZINC000265380956 526036889 /nfs/dbraw/zinc/03/68/89/526036889.db2.gz CLRJWWRQSPQJQY-AWEZNQCLSA-N 0 1 314.429 3.673 20 30 DHEDMN C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736759372 600570729 /nfs/dbraw/zinc/57/07/29/600570729.db2.gz JAPILYVZPSICDD-MDASCCDHSA-N 0 1 320.392 3.562 20 30 DHEDMN C[C@@H](C[N@@H+](CCCC(C)(C)C#N)Cc1ccccc1)C(=O)[O-] ZINC000827449455 601113627 /nfs/dbraw/zinc/11/36/27/601113627.db2.gz KOONAPUAEUGPCS-HNNXBMFYSA-N 0 1 302.418 3.539 20 30 DHEDMN C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000828150825 601329250 /nfs/dbraw/zinc/32/92/50/601329250.db2.gz RHQGFZIOHBSRKP-MDASCCDHSA-N 0 1 320.392 3.562 20 30 DHEDMN C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1cccc(C(=O)[O-])c1C#N ZINC000833547444 604599883 /nfs/dbraw/zinc/59/98/83/604599883.db2.gz DJUPNSSNSJYZFT-GFCCVEGCSA-N 0 1 312.344 3.589 20 30 DHEDMN C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1cccc(C(=O)[O-])c1C#N ZINC000833547444 604599884 /nfs/dbraw/zinc/59/98/84/604599884.db2.gz DJUPNSSNSJYZFT-GFCCVEGCSA-N 0 1 312.344 3.589 20 30 DHEDMN CC(C)[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)[O-])c1C#N ZINC000833499843 604605127 /nfs/dbraw/zinc/60/51/27/604605127.db2.gz ZPPTXSCJDRQAQR-UHFFFAOYSA-N 0 1 308.381 3.667 20 30 DHEDMN C[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@@H](C(=O)[O-])c1ccccc1 ZINC000830855572 604673044 /nfs/dbraw/zinc/67/30/44/604673044.db2.gz BAJHKANZJUKUCI-GOSISDBHSA-N 0 1 322.408 3.745 20 30 DHEDMN C=C(C)C[N@H+](CC)[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000652369792 605260706 /nfs/dbraw/zinc/26/07/06/605260706.db2.gz ASSQCEBALGKUCW-ZDUSSCGKSA-N 0 1 301.308 3.729 20 30 DHEDMN CC(C)(C#N)c1ccc(C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC001602831044 971655910 /nfs/dbraw/zinc/65/59/10/971655910.db2.gz KMQISGAFLJBXMQ-QGZVFWFLSA-N 0 1 314.429 3.707 20 30 DHEDMN N#CC1(CCCC[N@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])CCC1 ZINC000903707250 956901010 /nfs/dbraw/zinc/90/10/10/956901010.db2.gz UKQVXGNHIMJZKY-QGZVFWFLSA-N 0 1 312.413 3.535 20 30 DHEDMN C=CCCCCC[N@H+]1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001326841630 961133113 /nfs/dbraw/zinc/13/31/13/961133113.db2.gz AVPGGNUILQYXPX-JKSUJKDBSA-N 0 1 323.383 3.811 20 30 DHEDMN C=C(C)CN(CC)[C@@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000155139816 1013236202 /nfs/dbraw/zinc/23/62/02/1013236202.db2.gz AWFHIBKKVOSZPD-LBPRGKRZSA-N 0 1 312.360 3.513 20 30 DHEDMN C=CCOc1ccc(CN(C)Cc2ccsc2)cc1OC ZINC000120474772 1013269480 /nfs/dbraw/zinc/26/94/80/1013269480.db2.gz KVIBDJLLZSJAQO-UHFFFAOYSA-N 0 1 303.427 3.954 20 30 DHEDMN Cc1nn(C)c(CN[C@H](CCCC#N)c2ccccc2)c1Cl ZINC000894607012 1013428533 /nfs/dbraw/zinc/42/85/33/1013428533.db2.gz MVGLQCMEWOVJNY-OAHLLOKOSA-N 0 1 316.836 3.907 20 30 DHEDMN Cc1cc(C(=O)C(C#N)c2nc(C(C)C)cs2)c(C)n1C ZINC000353885338 1013436475 /nfs/dbraw/zinc/43/64/75/1013436475.db2.gz CCQIMDMZZHNSNX-ZDUSSCGKSA-N 0 1 301.415 3.712 20 30 DHEDMN C=C(C)CN(CC)C(=O)CN(CC)[C@H](C)c1ccc(F)cc1 ZINC000065433307 1013455481 /nfs/dbraw/zinc/45/54/81/1013455481.db2.gz YGVQZNWCLCUTSS-OAHLLOKOSA-N 0 1 306.425 3.633 20 30 DHEDMN C#CCCCCCC[N@@H+]1CCCC[C@H]1c1ccc(C(=O)[O-])n1C ZINC001588441381 964051374 /nfs/dbraw/zinc/05/13/74/964051374.db2.gz GBQOCPHHAZZWMJ-KRWDZBQOSA-N 0 1 316.445 3.834 20 30 DHEDMN C#C[C@H](N[C@H](C)[C@H]1CC1(F)F)c1ccc(Br)cc1 ZINC000894872237 1013575026 /nfs/dbraw/zinc/57/50/26/1013575026.db2.gz ZZPILIURWXODFR-WQAKAFBOSA-N 0 1 314.173 3.757 20 30 DHEDMN Cc1cccc([C@H](C)N2CCN(c3cccc(F)c3C#N)CC2)c1 ZINC000441241218 1013692123 /nfs/dbraw/zinc/69/21/23/1013692123.db2.gz SCZPCTSIJDURTP-INIZCTEOSA-N 0 1 323.415 3.889 20 30 DHEDMN Cc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2C)c1C#N ZINC000441356910 1013719553 /nfs/dbraw/zinc/71/95/53/1013719553.db2.gz RUBPWYDTFOHAJS-UHFFFAOYSA-N 0 1 320.801 3.629 20 30 DHEDMN C=C[C@@](C)(CC)C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000188421037 1013738828 /nfs/dbraw/zinc/73/88/28/1013738828.db2.gz PIINCOJCJRUACR-HNNXBMFYSA-N 0 1 304.781 3.666 20 30 DHEDMN Cc1cc([C@@H]2CCCN(C(=O)N[C@@H]3CC[C@H](C)C[C@H]3C)C2)n[nH]1 ZINC000328666185 1013789603 /nfs/dbraw/zinc/78/96/03/1013789603.db2.gz CLGZROLVWWXPQO-SJXGUFTOSA-N 0 1 318.465 3.636 20 30 DHEDMN Cc1cc([C@@H]2CCCN(C(=O)N[C@@H]3CCC[C@@H](C)CC3)C2)n[nH]1 ZINC000328681407 1013792509 /nfs/dbraw/zinc/79/25/09/1013792509.db2.gz CMHNRPHSZQMFGO-FVQBIDKESA-N 0 1 318.465 3.780 20 30 DHEDMN O=C(NCCN1CCCCC1)c1coc(C2CCCCC2)n1 ZINC000328756093 1013795335 /nfs/dbraw/zinc/79/53/35/1013795335.db2.gz TZDSRKOCZJIQMS-UHFFFAOYSA-N 0 1 305.422 3.513 20 30 DHEDMN CCc1nc([C@H](C)NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)n[nH]1 ZINC000328922579 1013808795 /nfs/dbraw/zinc/80/87/95/1013808795.db2.gz MQMIOACXVRXZDB-IGQOVBAYSA-N 0 1 304.438 3.991 20 30 DHEDMN N#Cc1csc(CNCc2csc(Br)c2)c1 ZINC000165158938 1013832629 /nfs/dbraw/zinc/83/26/29/1013832629.db2.gz LAXJHGUCPQOUEN-UHFFFAOYSA-N 0 1 313.245 3.734 20 30 DHEDMN Brc1ccc(CNCC#Cc2ccccc2)s1 ZINC000051814203 1013835550 /nfs/dbraw/zinc/83/55/50/1013835550.db2.gz UHMXAKKOJUAQAG-UHFFFAOYSA-N 0 1 306.228 3.652 20 30 DHEDMN CC[C@@H](CC#N)Nc1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC000579994640 1013850330 /nfs/dbraw/zinc/85/03/30/1013850330.db2.gz DVIBFBFUYWWRKT-NSHDSACASA-N 0 1 311.172 3.569 20 30 DHEDMN C[C@H](CCNC(=O)N[C@H]1CCCc2cn[nH]c21)CC(C)(C)C ZINC000331283336 1013868274 /nfs/dbraw/zinc/86/82/74/1013868274.db2.gz RWOUUDQAIAECLI-OCCSQVGLSA-N 0 1 306.454 3.753 20 30 DHEDMN Cc1cccc(NC(=O)[C@@H](C)N[C@@H](C)c2cccc(C#N)c2)c1 ZINC000610346068 1013954901 /nfs/dbraw/zinc/95/49/01/1013954901.db2.gz JPSJSANWKMPZIY-LSDHHAIUSA-N 0 1 307.397 3.545 20 30 DHEDMN N#Cc1ccc(CN2CCCO[C@H](c3ccccc3)C2)cc1F ZINC000616752279 1014061951 /nfs/dbraw/zinc/06/19/51/1014061951.db2.gz RKXLOUGIMUZAPA-IBGZPJMESA-N 0 1 310.372 3.661 20 30 DHEDMN CN(CC#Cc1ccc(Cl)cc1)Cc1cc(C(C)(C)C)[nH]n1 ZINC000580519226 1014192135 /nfs/dbraw/zinc/19/21/35/1014192135.db2.gz DNCNKGMMAYMYOA-UHFFFAOYSA-N 0 1 315.848 3.844 20 30 DHEDMN COC(=O)c1cccc(CN2CCC[C@H](C(C)C)CC2)c1C#N ZINC001167424468 1014257788 /nfs/dbraw/zinc/25/77/88/1014257788.db2.gz JZOOJHFRHPREHW-HNNXBMFYSA-N 0 1 314.429 3.603 20 30 DHEDMN 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N#C[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000004069986 1025362203 /nfs/dbraw/zinc/36/22/03/1025362203.db2.gz WFJVYTSXZTZCHE-LBPRGKRZSA-N 0 1 323.333 3.695 20 30 DHEDMN O=C(/C=C\c1cnc(C2CCC2)s1)c1ccc(O)cc1O ZINC000760264678 1025389862 /nfs/dbraw/zinc/38/98/62/1025389862.db2.gz LJPBCUHSVLGVFX-ALCCZGGFSA-N 0 1 301.367 3.718 20 30 DHEDMN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1sccc1Cl ZINC001275316294 1025400443 /nfs/dbraw/zinc/40/04/43/1025400443.db2.gz WTCFBEAIQVJJIL-ZIAGYGMSSA-N 0 1 324.877 3.543 20 30 DHEDMN C[C@H](c1ccccc1Cl)[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000885960858 1025420189 /nfs/dbraw/zinc/42/01/89/1025420189.db2.gz QQCOVOIVBDCYGO-KGLIPLIRSA-N 0 1 306.837 3.778 20 30 DHEDMN N#Cc1cc2ccccc2nc1NCCc1ccc2cn[nH]c2c1 ZINC000804705681 1025452213 /nfs/dbraw/zinc/45/22/13/1025452213.db2.gz ZPZCIPULKAHUKZ-UHFFFAOYSA-N 0 1 313.364 3.637 20 30 DHEDMN COc1cc(C)cc(CN[C@@H]2CCc3cc(C#N)ccc32)c1OC ZINC000886097493 1025470628 /nfs/dbraw/zinc/47/06/28/1025470628.db2.gz 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ZINC000356923734 1026227744 /nfs/dbraw/zinc/22/77/44/1026227744.db2.gz WZUOMRGHEKOIQA-UHFFFAOYSA-N 0 1 321.424 3.786 20 30 DHEDMN N#Cc1ccc(-c2ccn(C[N@H+]3CCC[C@@H](C4CC4)C3)n2)cc1 ZINC000808230523 1026237596 /nfs/dbraw/zinc/23/75/96/1026237596.db2.gz JUIXMWLZDYMTBM-GOSISDBHSA-N 0 1 306.413 3.501 20 30 DHEDMN CC(C)=CCON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000808245064 1026242306 /nfs/dbraw/zinc/24/23/06/1026242306.db2.gz SWGHGFWANFMMJB-UHFFFAOYSA-N 0 1 303.362 3.512 20 30 DHEDMN COc1cc(CN(C)Cc2ccc(C#N)cc2C)cc(OC)c1 ZINC000614396687 1026292903 /nfs/dbraw/zinc/29/29/03/1026292903.db2.gz GQUQEJWNVWAYFP-UHFFFAOYSA-N 0 1 310.397 3.516 20 30 DHEDMN CCO[C@H](C)C(=O)C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000729071124 1026364958 /nfs/dbraw/zinc/36/49/58/1026364958.db2.gz WXDQFABLIZHQOX-OCCSQVGLSA-N 0 1 314.410 3.720 20 30 DHEDMN CCCCCCCCCN1CC[C@@H]2C[C@@]21C(=O)Nc1cn[nH]c1 ZINC001279870667 1026522720 /nfs/dbraw/zinc/52/27/20/1026522720.db2.gz JWPDUQYEDWFKKA-QAPCUYQASA-N 0 1 318.465 3.563 20 30 DHEDMN C=C(Br)CN1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000809566440 1026550370 /nfs/dbraw/zinc/55/03/70/1026550370.db2.gz LCGJEMHLVIWHKV-CQSZACIVSA-N 0 1 320.234 3.917 20 30 DHEDMN C#Cc1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000809546229 1026554209 /nfs/dbraw/zinc/55/42/09/1026554209.db2.gz ZCXAAEQGRSAEIB-UHFFFAOYSA-N 0 1 306.365 3.741 20 30 DHEDMN C#Cc1ccc(CNCc2ccccc2OCC(F)(F)F)cc1 ZINC000809608125 1026564014 /nfs/dbraw/zinc/56/40/14/1026564014.db2.gz IIRYABSRDBJEGB-UHFFFAOYSA-N 0 1 319.326 3.899 20 30 DHEDMN C#C[C@H](NC[C@H]1CCO[C@H](CC)C1)c1ccc(Cl)cc1F ZINC000809699604 1026587331 /nfs/dbraw/zinc/58/73/31/1026587331.db2.gz QTCNYQRZQGTWPV-QEORTHHSSA-N 0 1 309.812 3.948 20 30 DHEDMN C#C[C@@H](NCc1cc(Cl)ccc1OC[C@@H]1CCCO1)C(C)C ZINC000809685713 1026592854 /nfs/dbraw/zinc/59/28/54/1026592854.db2.gz MNESOZOKDVVPFX-DLBZAZTESA-N 0 1 321.848 3.645 20 30 DHEDMN C#C[C@@H](NCc1nc2ccc(Br)cc2s1)C(C)C ZINC000809685698 1026593414 /nfs/dbraw/zinc/59/34/14/1026593414.db2.gz LUOQFXSODMIMTM-LLVKDONJSA-N 0 1 323.259 3.806 20 30 DHEDMN C#CCN(Cc1cn(C)nc1-c1cccs1)Cc1ccccc1 ZINC000809715659 1026602249 /nfs/dbraw/zinc/60/22/49/1026602249.db2.gz FUKHDACVTCCTCX-UHFFFAOYSA-N 0 1 321.449 3.784 20 30 DHEDMN CCC[C@H](C(=O)Nc1nc2ccc(C#N)cc2[nH]1)c1ccccc1 ZINC001131904071 1026632515 /nfs/dbraw/zinc/63/25/15/1026632515.db2.gz VFYZNLKUTNPOAA-HNNXBMFYSA-N 0 1 318.380 3.957 20 30 DHEDMN CN(C)Cc1ccc(NCc2ccc(C#N)s2)cc1Cl ZINC000280363302 1026638836 /nfs/dbraw/zinc/63/88/36/1026638836.db2.gz UQWWMRYWFRPMHB-UHFFFAOYSA-N 0 1 305.834 3.947 20 30 DHEDMN CN(CCCOCc1ccccc1)Cc1csc(C#N)c1 ZINC000894243298 1026725469 /nfs/dbraw/zinc/72/54/69/1026725469.db2.gz GVJHTBHTJYTCAW-UHFFFAOYSA-N 0 1 300.427 3.658 20 30 DHEDMN Cn1cc(CNc2ccc3c(c2)nc2n3CCCCC2)cc1C#N ZINC000419731361 1026758701 /nfs/dbraw/zinc/75/87/01/1026758701.db2.gz APCIWKVSYBHADD-UHFFFAOYSA-N 0 1 319.412 3.585 20 30 DHEDMN N#Cc1ccc(O)c(NC(=O)c2nc3ccccc3cc2Cl)c1 ZINC000810466716 1026764503 /nfs/dbraw/zinc/76/45/03/1026764503.db2.gz JEQZHRYGDFQPGQ-UHFFFAOYSA-N 0 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CN(C)Cc1cccc(C(=O)/C=C\c2csc([N+](=O)[O-])c2)c1 ZINC000821017108 1029798789 /nfs/dbraw/zinc/79/87/89/1029798789.db2.gz CKHJQXROQKBHKJ-SREVYHEPSA-N 0 1 316.382 3.614 20 30 DHEDMN CN(C)Cc1cccc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000821021026 1029800513 /nfs/dbraw/zinc/80/05/13/1029800513.db2.gz BFPHPFDSLCKZNX-MDZDMXLPSA-N 0 1 310.353 3.553 20 30 DHEDMN N#Cc1cc(Cl)ccc1CN1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451353350 1029853107 /nfs/dbraw/zinc/85/31/07/1029853107.db2.gz NZYCNOWEYJEMTL-RCCFBDPRSA-N 0 1 318.848 3.727 20 30 DHEDMN Cc1nc([C@H](C)Sc2ccc(C#N)c(C(F)(F)F)c2)n[nH]1 ZINC000413005740 1029909865 /nfs/dbraw/zinc/90/98/65/1029909865.db2.gz ZVYVAKHLPNMXGO-ZETCQYMHSA-N 0 1 312.320 3.857 20 30 DHEDMN N#C[C@@H]1CC[C@@H](N2CC[C@@H](c3cccc(Br)c3)C2)C1 ZINC000451565816 1029922123 /nfs/dbraw/zinc/92/21/23/1029922123.db2.gz IKOBSVCPMWDCLN-XNRPHZJLSA-N 0 1 319.246 3.931 20 30 DHEDMN C=C[C@@H]1OCCC[C@H]1NCc1coc(-c2cccc(Cl)c2)n1 ZINC000451673885 1029963172 /nfs/dbraw/zinc/96/31/72/1029963172.db2.gz MDOGOZWRQPIJAV-CVEARBPZSA-N 0 1 318.804 3.818 20 30 DHEDMN C[C@@H]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H]1C ZINC000245847926 1030156394 /nfs/dbraw/zinc/15/63/94/1030156394.db2.gz CMVRZWZOTZYYGJ-HZPDHXFCSA-N 0 1 323.440 3.716 20 30 DHEDMN C[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccnn1CC1CCC1 ZINC000924786844 1030188469 /nfs/dbraw/zinc/18/84/69/1030188469.db2.gz UIHSDVDCRWHGJB-GJZGRUSLSA-N 0 1 308.429 3.967 20 30 DHEDMN C[C@@H](Nc1ccc(C[NH+](C)C)c(F)c1)c1cccc(C#N)c1[O-] ZINC000866332636 1030234933 /nfs/dbraw/zinc/23/49/33/1030234933.db2.gz FCXTWKRVMGMIRQ-GFCCVEGCSA-N 0 1 313.376 3.638 20 30 DHEDMN C=CCSc1ccccc1NC(=O)CN1C[C@H](C)C[C@@H]1C ZINC000533292122 1030247254 /nfs/dbraw/zinc/24/72/54/1030247254.db2.gz SNQUHRXULZWKHY-KGLIPLIRSA-N 0 1 304.459 3.634 20 30 DHEDMN C[C@@H](O)CN(CC#Cc1cccc(Cl)c1)Cc1ccccc1 ZINC000533332820 1030280636 /nfs/dbraw/zinc/28/06/36/1030280636.db2.gz HGRNEYPPWVVAOT-MRXNPFEDSA-N 0 1 313.828 3.575 20 30 DHEDMN Cc1cnn(C)c1CN=Nc1c(Cl)cc(F)cc1Cl ZINC000794921263 1030289715 /nfs/dbraw/zinc/28/97/15/1030289715.db2.gz ANJSYFZKVYMCDQ-UHFFFAOYSA-N 0 1 301.152 3.620 20 30 DHEDMN Cc1nc[nH]c1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC001136729648 1030310255 /nfs/dbraw/zinc/31/02/55/1030310255.db2.gz KLKFVIGNUGTLSK-UHFFFAOYSA-N 0 1 318.336 3.634 20 30 DHEDMN CC[C@@H](C#N)Oc1cccc(CNCc2cc3cccnc3o2)c1 ZINC000823888295 1030427630 /nfs/dbraw/zinc/42/76/30/1030427630.db2.gz YXTXFXVZXJGDBB-INIZCTEOSA-N 0 1 321.380 3.799 20 30 DHEDMN C=CC[C@@H](CO)CN[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000925692766 1030455769 /nfs/dbraw/zinc/45/57/69/1030455769.db2.gz BDLGRTWMFCDITC-KDOFPFPSSA-N 0 1 316.832 3.599 20 30 DHEDMN COc1ccc(-c2ccccc2)cc1C=NNc1cncnc1 ZINC000794976263 1030469393 /nfs/dbraw/zinc/46/93/93/1030469393.db2.gz HRQALDHVNIECMN-UHFFFAOYSA-N 0 1 304.353 3.598 20 30 DHEDMN CC(=NNc1cccc(F)n1)c1sccc1Br ZINC000795006608 1030554348 /nfs/dbraw/zinc/55/43/48/1030554348.db2.gz DLRRJGKNPVHIJE-UHFFFAOYSA-N 0 1 314.183 3.881 20 30 DHEDMN Fc1cccc(NN=Cc2cc(Cl)ccc2OC(F)F)n1 ZINC000795007505 1030560977 /nfs/dbraw/zinc/56/09/77/1030560977.db2.gz INTMBTHFMVZOCE-UHFFFAOYSA-N 0 1 315.682 3.922 20 30 DHEDMN Fc1cccc(NN=Cc2c[nH]nc2-c2cccc(Cl)c2)n1 ZINC000795008497 1030565707 /nfs/dbraw/zinc/56/57/07/1030565707.db2.gz IXVSXTOMIXFBEU-UHFFFAOYSA-N 0 1 315.739 3.710 20 30 DHEDMN Fc1cccc(NN=Cc2ccc(CSC(F)F)o2)n1 ZINC000795009572 1030567690 /nfs/dbraw/zinc/56/76/90/1030567690.db2.gz FGEDRBIUZSFUMM-UHFFFAOYSA-N 0 1 301.293 3.716 20 30 DHEDMN N#Cc1cccc(CNCc2cnn(-c3ccc(Cl)cc3)c2)c1 ZINC000237821502 1030571486 /nfs/dbraw/zinc/57/14/86/1030571486.db2.gz PKHIRQDKDNOALL-UHFFFAOYSA-N 0 1 322.799 3.687 20 30 DHEDMN C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000824861295 1030657497 /nfs/dbraw/zinc/65/74/97/1030657497.db2.gz KGQUKPQPFUUEDU-GUTXKFCHSA-N 0 1 315.335 3.795 20 30 DHEDMN C[C@H](CC(C)(C)C#N)NCc1nc2cc(Cl)ccc2n1C ZINC000926225593 1030665012 /nfs/dbraw/zinc/66/50/12/1030665012.db2.gz XLZPLTBHCARELQ-LLVKDONJSA-N 0 1 304.825 3.645 20 30 DHEDMN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccnn1CC1CCC1 ZINC000926318097 1030695833 /nfs/dbraw/zinc/69/58/33/1030695833.db2.gz TZWMVKSKAZRLSB-LIRRHRJNSA-N 0 1 320.440 3.893 20 30 DHEDMN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1cccc2c1OCO2 ZINC000926317832 1030696723 /nfs/dbraw/zinc/69/67/23/1030696723.db2.gz ROLKCTJMSHJJHB-PXAZEXFGSA-N 0 1 306.365 3.625 20 30 DHEDMN C[C@@H](CC(C)(C)C#N)NCc1c(F)cccc1N1CCCC1 ZINC000926400026 1030721493 /nfs/dbraw/zinc/72/14/93/1030721493.db2.gz GNSPXMDEYSBBIM-AWEZNQCLSA-N 0 1 303.425 3.844 20 30 DHEDMN COCCN(CCC#N)CC1CCC(c2ccccc2)CC1 ZINC000614908428 1030843963 /nfs/dbraw/zinc/84/39/63/1030843963.db2.gz AQFAYAYVIBKNEU-UHFFFAOYSA-N 0 1 300.446 3.822 20 30 DHEDMN C=CCOCCCN[C@H](C)c1ncc(C(F)(F)F)cc1Cl ZINC000926705369 1030875250 /nfs/dbraw/zinc/87/52/50/1030875250.db2.gz TUDYBYQZYNVFRG-SNVBAGLBSA-N 0 1 322.758 3.997 20 30 DHEDMN COc1ccc(CN2CCC(S)CC2)cc1C(F)(F)F ZINC001143645471 1030877236 /nfs/dbraw/zinc/87/72/36/1030877236.db2.gz RFQKUDWOUHFFOD-UHFFFAOYSA-N 0 1 305.365 3.608 20 30 DHEDMN N#C[C@@H](C(=O)C1(C(F)F)CCC1)c1ccc2ccccc2n1 ZINC000870121235 1030925814 /nfs/dbraw/zinc/92/58/14/1030925814.db2.gz AAQPTZGCUJOIFU-GFCCVEGCSA-N 0 1 300.308 3.846 20 30 DHEDMN N#Cc1cccc(Cl)c1CN(C1CCC1)C1CCOCC1 ZINC001143731693 1030936972 /nfs/dbraw/zinc/93/69/72/1030936972.db2.gz BBAWNAYJYVIAFU-UHFFFAOYSA-N 0 1 304.821 3.745 20 30 DHEDMN N#Cc1ccc(-c2nnc(CN(C3CCC3)C3CCC3)o2)cc1 ZINC000292329571 1030944536 /nfs/dbraw/zinc/94/45/36/1030944536.db2.gz FZOLVKOPHBDYGJ-UHFFFAOYSA-N 0 1 308.385 3.515 20 30 DHEDMN C#C[C@H]1CC[C@H](N[C@H](c2ccccn2)c2ccccc2OC)CC1 ZINC000926840003 1030947356 /nfs/dbraw/zinc/94/73/56/1030947356.db2.gz PFQOKYPNSZSNGS-FIKGOQFSSA-N 0 1 320.436 3.961 20 30 DHEDMN CSc1ccc(CN[C@@H](C)c2c(C)noc2C)cc1C#N ZINC000926869910 1030962034 /nfs/dbraw/zinc/96/20/34/1030962034.db2.gz ZDFASZQAHZMJNC-JTQLQIEISA-N 0 1 301.415 3.736 20 30 DHEDMN N#Cc1cccc(ONC(=O)[C@@H]2CCC[C@@H]2c2ccccc2)c1 ZINC000870689790 1031064836 /nfs/dbraw/zinc/06/48/36/1031064836.db2.gz BJZREXRLWRBANT-QZTJIDSGSA-N 0 1 306.365 3.552 20 30 DHEDMN CC[C@H](C)c1nc([C@@H](C)Nc2nc(C)c(C#N)cc2Cl)n[nH]1 ZINC000292726713 1031145158 /nfs/dbraw/zinc/14/51/58/1031145158.db2.gz UGXLTIYLQDQXFQ-WCBMZHEXSA-N 0 1 318.812 3.720 20 30 DHEDMN CCCc1cccc(C=C2CCc3c(C#N)c(=O)[nH]cc3C2=O)c1 ZINC000844554393 1031212017 /nfs/dbraw/zinc/21/20/17/1031212017.db2.gz LRDRARPHKPIXLR-XNTDXEJSSA-N 0 1 318.376 3.824 20 30 DHEDMN C=CCC(C)(C)C(=O)NCCCc1nc2ccc(Cl)cc2[nH]1 ZINC001144075270 1031227559 /nfs/dbraw/zinc/22/75/59/1031227559.db2.gz KXTYDOSTABMVFK-UHFFFAOYSA-N 0 1 319.836 3.867 20 30 DHEDMN C#CC[C@@H](NCC(=O)Nc1c(C)cc(C)cc1C)c1ccccc1 ZINC000271761096 1031262022 /nfs/dbraw/zinc/26/20/22/1031262022.db2.gz ZOFICUNNOCSRAQ-LJQANCHMSA-N 0 1 320.436 3.905 20 30 DHEDMN C=C[C@H](CC(=O)Nc1c(C)n[nH]c1C(F)F)c1ccccc1 ZINC000272519959 1031274371 /nfs/dbraw/zinc/27/43/71/1031274371.db2.gz ZHAMLSQOSBZBPZ-LLVKDONJSA-N 0 1 305.328 3.954 20 30 DHEDMN C=CCC[C@H](C)N[C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000273436495 1031281116 /nfs/dbraw/zinc/28/11/16/1031281116.db2.gz YQXUECJQYIFSRW-STQMWFEESA-N 0 1 301.390 3.751 20 30 DHEDMN C#CCOc1ccccc1CN[C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000272727338 1031281487 /nfs/dbraw/zinc/28/14/87/1031281487.db2.gz HLLAWTIRCBZWTB-HNNXBMFYSA-N 0 1 322.408 3.508 20 30 DHEDMN N#CCCN(Cc1[nH]nc2ccc(F)cc21)Cc1ccccc1 ZINC001144186661 1031321715 /nfs/dbraw/zinc/32/17/15/1031321715.db2.gz CIZRWPQWNPFBOC-UHFFFAOYSA-N 0 1 308.360 3.618 20 30 DHEDMN N#CCCCC(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000360343443 1031385621 /nfs/dbraw/zinc/38/56/21/1031385621.db2.gz IFSSJBLEUBUGFL-CQSZACIVSA-N 0 1 316.792 3.574 20 30 DHEDMN C[C@@H]1CCSCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000429765114 1031474781 /nfs/dbraw/zinc/47/47/81/1031474781.db2.gz AALVQZVDAQUTPU-CYBMUJFWSA-N 0 1 313.388 3.884 20 30 DHEDMN CCCN(Cc1cncc(C#N)c1)[C@H](C)c1ccccc1OC ZINC000929381723 1031508260 /nfs/dbraw/zinc/50/82/60/1031508260.db2.gz BOGJFBAQOYWSHA-OAHLLOKOSA-N 0 1 309.413 3.935 20 30 DHEDMN N#Cc1cc(CN2CCC[C@]3(C2)OCc2ccccc23)ccc1F ZINC000360677196 1031518859 /nfs/dbraw/zinc/51/88/59/1031518859.db2.gz WNHFEYZIPIWZRV-HXUWFJFHSA-N 0 1 322.383 3.719 20 30 DHEDMN C[C@H](Cc1cccc(C#N)c1)n1c2cc(Cl)ccc2nc1CN ZINC001171179545 1031561270 /nfs/dbraw/zinc/56/12/70/1031561270.db2.gz TTYOWXVBFRIUKU-GFCCVEGCSA-N 0 1 324.815 3.824 20 30 DHEDMN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H](CCO)c1ccco1 ZINC000360872725 1031595145 /nfs/dbraw/zinc/59/51/45/1031595145.db2.gz NURMJICRKBOKFS-ZWKOTPCHSA-N 0 1 310.397 3.632 20 30 DHEDMN COc1cccc(C)c1NC(=N)c1ccc2cc(O)ccc2c1 ZINC001171186570 1031599589 /nfs/dbraw/zinc/59/95/89/1031599589.db2.gz VFEZQOFFDUBVBO-UHFFFAOYSA-N 0 1 306.365 3.899 20 30 DHEDMN COc1cc(Cl)cc(CN(C)Cc2cccc(C#N)c2)c1 ZINC001144490029 1031641699 /nfs/dbraw/zinc/64/16/99/1031641699.db2.gz UFUICPKNPUHHCA-UHFFFAOYSA-N 0 1 300.789 3.852 20 30 DHEDMN N#Cc1cncc(CNC2(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000929959925 1031661004 /nfs/dbraw/zinc/66/10/04/1031661004.db2.gz XYBHCOODZVJIRV-UHFFFAOYSA-N 0 1 317.314 3.751 20 30 DHEDMN CCN(C[C@H](O)CC#N)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000929968005 1031663016 /nfs/dbraw/zinc/66/30/16/1031663016.db2.gz KGFLXQPSDMKTNG-MOPGFXCFSA-N 0 1 312.388 3.512 20 30 DHEDMN CCN(C[C@H](O)CC#N)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000929968008 1031663336 /nfs/dbraw/zinc/66/33/36/1031663336.db2.gz KGFLXQPSDMKTNG-RTBURBONSA-N 0 1 312.388 3.512 20 30 DHEDMN C=CC[C@H](CC)NC(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000872996782 1031688268 /nfs/dbraw/zinc/68/82/68/1031688268.db2.gz FJWSLCKVOJKWAR-GJZGRUSLSA-N 0 1 318.465 3.777 20 30 DHEDMN C#Cc1ccc(CN2CCSC[C@@H]2c2cccc(OC)c2)cc1 ZINC001144581088 1031718827 /nfs/dbraw/zinc/71/88/27/1031718827.db2.gz NMQJBVCLKSAFQB-HXUWFJFHSA-N 0 1 323.461 3.967 20 30 DHEDMN CC[C@@H](CC(F)F)C(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845845470 1031726781 /nfs/dbraw/zinc/72/67/81/1031726781.db2.gz XWGANZGLRJAUCE-JSGCOSHPSA-N 0 1 319.351 3.678 20 30 DHEDMN CC[C@@H]1CCC[C@H]1C(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845845431 1031728321 /nfs/dbraw/zinc/72/83/21/1031728321.db2.gz XNZWLDZHUWJIAC-DJIMGWMZSA-N 0 1 309.409 3.822 20 30 DHEDMN C=CCC(CC=C)C(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845841157 1031738603 /nfs/dbraw/zinc/73/86/03/1031738603.db2.gz KTCFPTTWTHFZTJ-QGZVFWFLSA-N 0 1 307.393 3.765 20 30 DHEDMN CC1(C)CC[C@@H](C(=O)C(C#N)=C(O)C2(c3ccccc3)CC2)C1 ZINC000845843405 1031740171 /nfs/dbraw/zinc/74/01/71/1031740171.db2.gz DBBVEGHTYLYVAL-GDBMZVCRSA-N 0 1 309.409 3.822 20 30 DHEDMN CS[C@@H](C)CCC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845841093 1031740249 /nfs/dbraw/zinc/74/02/49/1031740249.db2.gz KOPYEBHMZUMXLZ-DZGCQCFKSA-N 0 1 315.438 3.528 20 30 DHEDMN C[C@H](NCc1ccc(C#N)cc1)c1ccc(C(F)(F)F)nc1 ZINC000873186137 1031747729 /nfs/dbraw/zinc/74/77/29/1031747729.db2.gz FZXNNJVSIBEHIL-NSHDSACASA-N 0 1 305.303 3.823 20 30 DHEDMN COc1cc(F)c(C(C)=NNc2cc(Cl)ccn2)cc1OC ZINC000777905582 1031797252 /nfs/dbraw/zinc/79/72/52/1031797252.db2.gz MVIPUEXQOMNETL-UHFFFAOYSA-N 0 1 323.755 3.727 20 30 DHEDMN COc1ccc2nc(N=NC(C)c3ccncc3)c(C)cc2c1 ZINC000777910329 1031817484 /nfs/dbraw/zinc/81/74/84/1031817484.db2.gz ACCLHAVOCIURAL-UHFFFAOYSA-N 0 1 306.369 3.783 20 30 DHEDMN COc1cccc2cc(C=NNc3cc(Cl)ccn3)oc21 ZINC000777906488 1031819761 /nfs/dbraw/zinc/81/97/61/1031819761.db2.gz BCYXTAMGAWIIQM-UHFFFAOYSA-N 0 1 301.733 3.936 20 30 DHEDMN Fc1ccc(-n2cc(C=NNc3cc(Cl)ccn3)cn2)cc1 ZINC000777906697 1031820171 /nfs/dbraw/zinc/82/01/71/1031820171.db2.gz KWLXYPLLOAQMGG-UHFFFAOYSA-N 0 1 315.739 3.506 20 30 DHEDMN Cc1nn(C(C)(C)C)c(C)c1C=NNc1cc(Cl)ccn1 ZINC000777906391 1031821209 /nfs/dbraw/zinc/82/12/09/1031821209.db2.gz JPRAWTOODHWRJL-UHFFFAOYSA-N 0 1 305.813 3.749 20 30 DHEDMN CCC(=NN=c1[nH]c2ccc(OC)cc2cc1C)c1cnn(C)c1 ZINC000777914152 1031841459 /nfs/dbraw/zinc/84/14/59/1031841459.db2.gz ZCIKCQQHTFQXGW-UHFFFAOYSA-N 0 1 323.400 3.512 20 30 DHEDMN C#CCOc1cccc(Cl)c1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000846117933 1031866755 /nfs/dbraw/zinc/86/67/55/1031866755.db2.gz SXTWDNJKPAHHBJ-HNNXBMFYSA-N 0 1 311.759 3.583 20 30 DHEDMN C#CCOc1cccc(Cl)c1CN1CC[C@]2(CC2(F)F)C1 ZINC000846117933 1031866767 /nfs/dbraw/zinc/86/67/67/1031866767.db2.gz SXTWDNJKPAHHBJ-HNNXBMFYSA-N 0 1 311.759 3.583 20 30 DHEDMN C=CCCCN(CC)Cc1c(NC(=O)OC(C)(C)C)cnn1C ZINC000898244658 1031999020 /nfs/dbraw/zinc/99/90/20/1031999020.db2.gz OUTIROIROZWXCG-UHFFFAOYSA-N 0 1 322.453 3.555 20 30 DHEDMN C=CCc1cc(CN[C@@H](C)c2ccoc2)cc(OC)c1OC ZINC000772944785 1032035840 /nfs/dbraw/zinc/03/58/40/1032035840.db2.gz AYSWJDPCLZJSFC-ZDUSSCGKSA-N 0 1 301.386 3.876 20 30 DHEDMN C=CCc1cc(CN[C@@H](C)c2cncs2)cc(OC)c1OC ZINC000772948764 1032043186 /nfs/dbraw/zinc/04/31/86/1032043186.db2.gz YWTWFJIQISUIHO-LBPRGKRZSA-N 0 1 318.442 3.740 20 30 DHEDMN COC(=O)[C@H]1CCC[C@H](N(CCC#N)Cc2ccccc2)CC1 ZINC001172782661 1033367218 /nfs/dbraw/zinc/36/72/18/1033367218.db2.gz HYSNPPNUCLOMGS-ROUUACIJSA-N 0 1 314.429 3.524 20 30 DHEDMN Cc1cc(C(C#N)C(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)nc(C)n1 ZINC000860465446 1033387826 /nfs/dbraw/zinc/38/78/26/1033387826.db2.gz JQBOUZHMSYJPMP-KURKYZTESA-N 0 1 319.408 3.854 20 30 DHEDMN CSCCCCCCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000860468986 1033389406 /nfs/dbraw/zinc/38/94/06/1033389406.db2.gz HKCBNJOCTICXRB-HNNXBMFYSA-N 0 1 318.442 3.647 20 30 DHEDMN COc1ccc2c(c1)[C@@H](NCc1cccc(C#N)c1)CCCO2 ZINC000151370339 1033441153 /nfs/dbraw/zinc/44/11/53/1033441153.db2.gz NVQLVXDFVBYNDS-SFHVURJKSA-N 0 1 308.381 3.570 20 30 DHEDMN CCC(C#N)(CC)C(=O)O[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000860646488 1033443966 /nfs/dbraw/zinc/44/39/66/1033443966.db2.gz HJVBRGSISNHQBX-QGZVFWFLSA-N 0 1 314.429 3.524 20 30 DHEDMN N#C[C@@H](C(=O)[C@@H]1C[C@H]1c1ccco1)c1cc(C(F)(F)F)ccn1 ZINC000860779524 1033490134 /nfs/dbraw/zinc/49/01/34/1033490134.db2.gz DTXRXJMRYOWLNS-IJLUTSLNSA-N 0 1 320.270 3.673 20 30 DHEDMN Cc1cc(C#N)c(F)cc1Nc1cccc(N2CCN(C)CC2)c1 ZINC001212715746 1033645530 /nfs/dbraw/zinc/64/55/30/1033645530.db2.gz GTBRCGQQEOUPGV-UHFFFAOYSA-N 0 1 324.403 3.501 20 30 DHEDMN C#CCCCCCN[C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000878425310 1033704347 /nfs/dbraw/zinc/70/43/47/1033704347.db2.gz KQFROHBSQGVSJS-AWEZNQCLSA-N 0 1 313.401 3.589 20 30 DHEDMN CC1(C#N)CCC(N2CCc3c([nH]nc3C(F)(F)F)C2)CC1 ZINC001173601046 1033788755 /nfs/dbraw/zinc/78/87/55/1033788755.db2.gz NUOPJEDAMYPLDX-IWXRYERYSA-N 0 1 312.339 3.815 20 30 DHEDMN C=CCc1cc(CN2CCc3sccc3C2)c(O)c(OC)c1 ZINC000014309928 1033943643 /nfs/dbraw/zinc/94/36/43/1033943643.db2.gz HPLZVOYLIAKINH-UHFFFAOYSA-N 0 1 315.438 3.749 20 30 DHEDMN Cc1ccc(F)c(Nc2ccc(N3CCN(C)CC3)c(C#N)c2)c1 ZINC001174112047 1034122559 /nfs/dbraw/zinc/12/25/59/1034122559.db2.gz VQSSEYYJVZPWQR-UHFFFAOYSA-N 0 1 324.403 3.501 20 30 DHEDMN N#Cc1c(Br)cccc1Nc1ccc2nccn2c1 ZINC001174279271 1034241801 /nfs/dbraw/zinc/24/18/01/1034241801.db2.gz QZJGBWCRDSJBEP-UHFFFAOYSA-N 0 1 313.158 3.712 20 30 DHEDMN N#Cc1cc(C(F)(F)F)ccc1Nc1ccc2nccn2c1 ZINC001174279437 1034242664 /nfs/dbraw/zinc/24/26/64/1034242664.db2.gz ZLRRZQFDKREACQ-UHFFFAOYSA-N 0 1 302.259 3.968 20 30 DHEDMN N#Cc1ccc(Br)c(Nc2ccc3nccn3c2)c1 ZINC001174280828 1034246312 /nfs/dbraw/zinc/24/63/12/1034246312.db2.gz XMDYPLGFNQOXQJ-UHFFFAOYSA-N 0 1 313.158 3.712 20 30 DHEDMN C[C@@H](C#N)Oc1ccccc1NCc1ccc(F)c(F)c1O ZINC000864031686 1034267983 /nfs/dbraw/zinc/26/79/83/1034267983.db2.gz LYAOHXYSNTWJGS-JTQLQIEISA-N 0 1 304.296 3.573 20 30 DHEDMN N#Cc1cc(N)c(Nc2cccc3[nH]ncc32)cc1C(F)(F)F ZINC001174346989 1034310404 /nfs/dbraw/zinc/31/04/04/1034310404.db2.gz FTSDAPLZFNRRRZ-UHFFFAOYSA-N 0 1 317.274 3.779 20 30 DHEDMN N#Cc1cccc(C#N)c1NC1=CCCN(Cc2ccccc2)C1 ZINC001174396132 1034322571 /nfs/dbraw/zinc/32/25/71/1034322571.db2.gz DGRCKZDNZPLXIC-UHFFFAOYSA-N 0 1 314.392 3.632 20 30 DHEDMN C=C(Cl)C[C@H]([NH2+]Cc1cc2cccc(CC)c2o1)C(=O)[O-] ZINC000864519478 1034373052 /nfs/dbraw/zinc/37/30/52/1034373052.db2.gz PRMKGBOAHFIUQC-AWEZNQCLSA-N 0 1 307.777 3.681 20 30 DHEDMN C=CCCC[C@@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)c1ccccc1 ZINC000899223007 1034524617 /nfs/dbraw/zinc/52/46/17/1034524617.db2.gz VHRLENHDXFWUTN-BRWVUGGUSA-N 0 1 309.413 3.727 20 30 DHEDMN CC(C)Oc1ccc(CNCc2cc(C#N)ccc2N(C)C)cc1 ZINC000865412383 1034633735 /nfs/dbraw/zinc/63/37/35/1034633735.db2.gz RUHPRIZQYXHIIV-UHFFFAOYSA-N 0 1 323.440 3.701 20 30 DHEDMN O=C(/C=C\c1ccc(O)c(F)c1F)c1cnn(CC2CCC2)c1 ZINC000899422561 1034656753 /nfs/dbraw/zinc/65/67/53/1034656753.db2.gz RZSLKXXYJINKBA-XQRVVYSFSA-N 0 1 318.323 3.563 20 30 DHEDMN Cc1nn(-c2ccccc2)c(CN2C[C@H](C)CC2(C)C)c1C#N ZINC000773433219 1034699038 /nfs/dbraw/zinc/69/90/38/1034699038.db2.gz UYGBDUPKJIGADL-CQSZACIVSA-N 0 1 308.429 3.673 20 30 DHEDMN COC(=O)c1cc(C#N)cc(C)c1Nc1ccc2c(C)[nH]nc2c1 ZINC001175663968 1035079486 /nfs/dbraw/zinc/07/94/86/1035079486.db2.gz RJTQEEKUVZZUFQ-UHFFFAOYSA-N 0 1 320.352 3.582 20 30 DHEDMN N#Cc1cc(Nc2cnn(C3CCCCC3)c2)c(O)cc1F ZINC001175885441 1035139148 /nfs/dbraw/zinc/13/91/48/1035139148.db2.gz ZFMHSBJQLZZEIL-UHFFFAOYSA-N 0 1 300.337 3.848 20 30 DHEDMN CC(C)CC[C@H](O)CN1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000482743957 1035174056 /nfs/dbraw/zinc/17/40/56/1035174056.db2.gz DXFZDSIBCBCCLU-IPMKNSEASA-N 0 1 300.446 3.555 20 30 DHEDMN CC(C)CC[C@H](O)CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000482743956 1035174594 /nfs/dbraw/zinc/17/45/94/1035174594.db2.gz DXFZDSIBCBCCLU-GBESFXJTSA-N 0 1 300.446 3.555 20 30 DHEDMN N#Cc1ccc(F)cc1CN(C[C@@H]1CCCO1)C1CCCC1 ZINC000160794040 1035239266 /nfs/dbraw/zinc/23/92/66/1035239266.db2.gz MDNKUQDWRVGMLE-SFHVURJKSA-N 0 1 302.393 3.621 20 30 DHEDMN COCCN(Cc1ccc(C#N)c(F)c1)[C@@H](C)c1ccccc1 ZINC000483598133 1035281933 /nfs/dbraw/zinc/28/19/33/1035281933.db2.gz FWXAAAXMSJOUOL-HNNXBMFYSA-N 0 1 312.388 3.907 20 30 DHEDMN COC(=O)c1ccc(NN=Cc2cc(Cl)ccc2Cl)nc1 ZINC000758126581 1035316827 /nfs/dbraw/zinc/31/68/27/1035316827.db2.gz JGKGCNBXVRALOI-UHFFFAOYSA-N 0 1 324.167 3.621 20 30 DHEDMN C=CC[C@@H]1CCN1CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC001176816018 1035331703 /nfs/dbraw/zinc/33/17/03/1035331703.db2.gz ZKKKMSLHZAHFNL-XJKSGUPXSA-N 0 1 306.837 3.510 20 30 DHEDMN CCc1ccc2c(c1)CN(Cc1ccc(OCC#N)cc1)CC2 ZINC001177027879 1035344702 /nfs/dbraw/zinc/34/47/02/1035344702.db2.gz RXVMLTIXBHZQBX-UHFFFAOYSA-N 0 1 306.409 3.710 20 30 DHEDMN CSc1ccccc1NC(=S)NC1(C#N)CCCCC1 ZINC001249712112 1035351342 /nfs/dbraw/zinc/35/13/42/1035351342.db2.gz VLXFKKUQTFGURX-UHFFFAOYSA-N 0 1 305.472 3.921 20 30 DHEDMN N#Cc1cc(CNCc2cccc(Br)c2)cs1 ZINC001177650244 1035387948 /nfs/dbraw/zinc/38/79/48/1035387948.db2.gz ASNDTLIFAMOWBE-UHFFFAOYSA-N 0 1 307.216 3.672 20 30 DHEDMN CN(C(=O)C(C#N)Cc1cccs1)[C@@H]1CCc2ccccc21 ZINC001177910755 1035397983 /nfs/dbraw/zinc/39/79/83/1035397983.db2.gz AOCVQSQXVRUMAI-RHSMWYFYSA-N 0 1 310.422 3.576 20 30 DHEDMN C[C@@H]1C[C@H](NC(=O)C(C#N)Cc2cccs2)c2ccccc21 ZINC001177915856 1035398947 /nfs/dbraw/zinc/39/89/47/1035398947.db2.gz QHZXFIZNXOSNSN-IGCXYCKISA-N 0 1 310.422 3.795 20 30 DHEDMN COCc1ccc(/C=C\C(=O)c2cccc(CN(C)C)c2)cc1 ZINC000905077699 1035477954 /nfs/dbraw/zinc/47/79/54/1035477954.db2.gz BRYGWZCWBKNKAY-QXMHVHEDSA-N 0 1 309.409 3.791 20 30 DHEDMN CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(F)c1[O-] ZINC001179913769 1035546396 /nfs/dbraw/zinc/54/63/96/1035546396.db2.gz HIHSIGKKIRVICN-UHFFFAOYSA-N 0 1 316.351 3.953 20 30 DHEDMN C=CCCn1cc(CN2CC[C@@H](c3ccccc3)[C@@H](CC)C2)nn1 ZINC001179962541 1035562744 /nfs/dbraw/zinc/56/27/44/1035562744.db2.gz PLTXWFFPYGCDLY-FXAWDEMLSA-N 0 1 324.472 3.870 20 30 DHEDMN C#C[C@H](N[C@@H](CC)c1ccccc1OC(F)F)[C@@H]1CCCO1 ZINC000775575451 1035563733 /nfs/dbraw/zinc/56/37/33/1035563733.db2.gz XIMMMLQWLBFFBF-DZKIICNBSA-N 0 1 309.356 3.510 20 30 DHEDMN C#C[C@H](N[C@@H](C)c1ccc(SC(F)F)cc1)[C@H]1CCCO1 ZINC000775571442 1035567278 /nfs/dbraw/zinc/56/72/78/1035567278.db2.gz HFKIMCYNGVFOQE-TUKIKUTGSA-N 0 1 311.397 3.833 20 30 DHEDMN C[C@H](C#N)S(=O)(=O)Nc1cccc2cc3ccccc3cc21 ZINC001193149699 1035577344 /nfs/dbraw/zinc/57/73/44/1035577344.db2.gz RKXLLNYWGWFVAJ-GFCCVEGCSA-N 0 1 310.378 3.647 20 30 DHEDMN C#CCN(Cc1ccc(C#N)c(C)c1)[C@H]1CCc2ccccc21 ZINC001180296264 1035646920 /nfs/dbraw/zinc/64/69/20/1035646920.db2.gz FPOWIIRGKKZAST-NRFANRHFSA-N 0 1 300.405 3.989 20 30 DHEDMN Cc1[nH]c2c(cccc2NC(=O)c2ccc(O)c(C#N)c2)c1C ZINC001193511668 1035653239 /nfs/dbraw/zinc/65/32/39/1035653239.db2.gz FTNQVXXHLFCKBT-UHFFFAOYSA-N 0 1 305.337 3.614 20 30 DHEDMN C=CCN(CCc1ccco1)Cc1c(OC)cccc1OC ZINC001180332844 1035659055 /nfs/dbraw/zinc/65/90/55/1035659055.db2.gz VNNOXXOUZRGHTG-UHFFFAOYSA-N 0 1 301.386 3.528 20 30 DHEDMN CCCCN(Cc1ccccc1)C(=O)c1cccc(C#N)c1O ZINC001193644205 1035686989 /nfs/dbraw/zinc/68/69/89/1035686989.db2.gz SLPMVWMZYJLOGW-UHFFFAOYSA-N 0 1 308.381 3.706 20 30 DHEDMN CN(CC(=O)Nc1sc2ccccc2c1C#N)C1CCCC1 ZINC001180624822 1035721930 /nfs/dbraw/zinc/72/19/30/1035721930.db2.gz JGHQAULOSATDNQ-UHFFFAOYSA-N 0 1 313.426 3.586 20 30 DHEDMN N#CC1(CN(Cc2ccc3c(c2)OCO3)C2CCCCC2)CC1 ZINC000539449660 1035734921 /nfs/dbraw/zinc/73/49/21/1035734921.db2.gz WLDYPNVFOWKLRT-UHFFFAOYSA-N 0 1 312.413 3.854 20 30 DHEDMN Fc1ccc(NC2CCN(CC#Cc3ccccc3)CC2)cc1 ZINC000192097446 1035759588 /nfs/dbraw/zinc/75/95/88/1035759588.db2.gz YAZQSCMKNVZMQU-UHFFFAOYSA-N 0 1 308.400 3.754 20 30 DHEDMN C#CCOc1cccc(Cl)c1CN1CC[C@H](OC)C(C)(C)C1 ZINC001181879458 1036030835 /nfs/dbraw/zinc/03/08/35/1036030835.db2.gz HYOLGVMGVXJVFG-KRWDZBQOSA-N 0 1 321.848 3.599 20 30 DHEDMN OCc1ccc(CC/N=C/c2cc(Cl)cc(Cl)c2O)cc1 ZINC000775629361 1036093085 /nfs/dbraw/zinc/09/30/85/1036093085.db2.gz DRXXSYZMZQGBPG-DJKKODMXSA-N 0 1 324.207 3.853 20 30 DHEDMN CC1(C)CCC[C@H]1C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000773975325 1036104860 /nfs/dbraw/zinc/10/48/60/1036104860.db2.gz KKDGWNYWPUIBBC-KGLIPLIRSA-N 0 1 318.804 3.814 20 30 DHEDMN CC(C)[C@]1(C)C[C@@H]1C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000773979331 1036108909 /nfs/dbraw/zinc/10/89/09/1036108909.db2.gz HJAYKZPNQIJNKI-QFSBIZTOSA-N 0 1 318.804 3.670 20 30 DHEDMN N#Cc1ccc(C(=O)Nc2ccccc2-c2nccs2)c(O)c1 ZINC001195758011 1036327590 /nfs/dbraw/zinc/32/75/90/1036327590.db2.gz IPLJAZRUMCWNBK-UHFFFAOYSA-N 0 1 321.361 3.640 20 30 DHEDMN N#Cc1ccc(C(=O)Nc2ccc3c4c(cccc42)CC3)c(O)c1 ZINC001195758716 1036329658 /nfs/dbraw/zinc/32/96/58/1036329658.db2.gz QKTZCJFIJUKMOF-UHFFFAOYSA-N 0 1 314.344 3.768 20 30 DHEDMN CC(=NNc1cnn(C)c1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000761865788 1036373857 /nfs/dbraw/zinc/37/38/57/1036373857.db2.gz NJEFFXXXWXKLML-UHFFFAOYSA-N 0 1 302.381 3.827 20 30 DHEDMN N#Cc1cnc2cc(N[C@H](c3ccccn3)C(F)(F)F)c[nH]c1-2 ZINC001168484497 1036453859 /nfs/dbraw/zinc/45/38/59/1036453859.db2.gz ASAGVLDZUZFGSS-CQSZACIVSA-N 0 1 317.274 3.545 20 30 DHEDMN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)C(CC)CC)cc1 ZINC000762022467 1036469598 /nfs/dbraw/zinc/46/95/98/1036469598.db2.gz AXCIKJQARPQDFB-SUMWQHHRSA-N 0 1 314.429 3.969 20 30 DHEDMN Cc1sc(NC(=O)CN2CC[C@H](C)C[C@@H](C)C2)c(C#N)c1C ZINC000443660501 1036489535 /nfs/dbraw/zinc/48/95/35/1036489535.db2.gz SBIQIKOVTQRAID-NWDGAFQWSA-N 0 1 319.474 3.543 20 30 DHEDMN Cc1cc2[nH]ncc2cc1NC(=O)c1c(C)cc(C#N)cc1C ZINC001183175060 1036534388 /nfs/dbraw/zinc/53/43/88/1036534388.db2.gz DTIAQDTUMGQOOF-UHFFFAOYSA-N 0 1 304.353 3.612 20 30 DHEDMN C#CCN1CCC(c2nc(-c3oc4ccccc4c3C)no2)CC1 ZINC000491376197 1036563065 /nfs/dbraw/zinc/56/30/65/1036563065.db2.gz ZDANLTHWQJKZAL-UHFFFAOYSA-N 0 1 321.380 3.604 20 30 DHEDMN C=Cc1cccc(NS(=O)(=O)c2cc(Cl)ccc2C#N)c1 ZINC001196689798 1036601107 /nfs/dbraw/zinc/60/11/07/1036601107.db2.gz BVJCMUAKMGZIBL-UHFFFAOYSA-N 0 1 318.785 3.655 20 30 DHEDMN C#C[C@H](N[C@H]1CCOC2(CCC2)C1)c1ccc(Cl)cc1F ZINC000491657385 1036620789 /nfs/dbraw/zinc/62/07/89/1036620789.db2.gz FZKKPTFYXDSXCX-BBRMVZONSA-N 0 1 307.796 3.845 20 30 DHEDMN C[C@@H](CC#N)C(=O)Nc1c(C2CC2)n[nH]c1-c1cccc(F)c1 ZINC000909716537 1036683263 /nfs/dbraw/zinc/68/32/63/1036683263.db2.gz IJDWVESHGZKIRN-JTQLQIEISA-N 0 1 312.348 3.581 20 30 DHEDMN CCc1cc(C(=O)Nc2nc3cccc(C)c3[nH]2)ccc1C#N ZINC001197261859 1036721856 /nfs/dbraw/zinc/72/18/56/1036721856.db2.gz XCCDRIJTTUEXSP-UHFFFAOYSA-N 0 1 304.353 3.558 20 30 DHEDMN CC[C@]1(C)CCN(Cc2cc(C#N)ccc2Br)C1 ZINC000492699182 1036970380 /nfs/dbraw/zinc/97/03/80/1036970380.db2.gz VVHVITDYLDZRBL-OAHLLOKOSA-N 0 1 307.235 3.943 20 30 DHEDMN 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KYMBKYJYKIZJQL-UHFFFAOYSA-N 0 1 322.162 3.772 20 30 DHEDMN C[C@H](c1ccc(C#N)cc1)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000593054036 1039379997 /nfs/dbraw/zinc/37/99/97/1039379997.db2.gz DROOLVJQBMBUKE-LLVKDONJSA-N 0 1 312.310 3.986 20 30 DHEDMN N#Cc1ccc2nc(-c3cc(O)cc(C(F)(F)F)c3)[nH]c2c1 ZINC000574127066 1039408177 /nfs/dbraw/zinc/40/81/77/1039408177.db2.gz JMOPEMLYVLCGFT-UHFFFAOYSA-N 0 1 303.243 3.826 20 30 DHEDMN COc1ccc(Cl)c2c1CCC[C@H]2N(C)CCOCCC#N ZINC000593104874 1039438844 /nfs/dbraw/zinc/43/88/44/1039438844.db2.gz KTSOZUWNBZFUQH-OAHLLOKOSA-N 0 1 322.836 3.588 20 30 DHEDMN C[C@H](C#N)Oc1ccc(/C=C/C(=O)c2ccc(O)c(F)c2)cc1 ZINC000171542100 1039513881 /nfs/dbraw/zinc/51/38/81/1039513881.db2.gz OWCSBCGVTAWMGT-WNPFHQFXSA-N 0 1 311.312 3.718 20 30 DHEDMN CCN(Cc1ccnn1CC(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000592497907 1039535807 /nfs/dbraw/zinc/53/58/07/1039535807.db2.gz ILSBZFHLMLABFO-MRXNPFEDSA-N 0 1 310.445 3.994 20 30 DHEDMN Cc1ccc(CNCC2(C#N)CCCC2)c(-c2ccnn2C)c1 ZINC000593654446 1039579756 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CCOc1ncccc1CNCc1ccc(C(C)(C)C#N)cc1 ZINC000594496020 1039797072 /nfs/dbraw/zinc/79/70/72/1039797072.db2.gz XGDHVCBDOCMESN-UHFFFAOYSA-N 0 1 309.413 3.571 20 30 DHEDMN N#Cc1ccc(C2(N[C@@H]3CCCc4cccnc43)CCC2)cc1 ZINC000594519561 1039825016 /nfs/dbraw/zinc/82/50/16/1039825016.db2.gz VXNVRIKTLGNNIU-GOSISDBHSA-N 0 1 303.409 4.000 20 30 DHEDMN COc1ccc(C[C@@H](C)CN2Cc3ccc(C#N)cc3C2)cc1F ZINC000594615037 1039875370 /nfs/dbraw/zinc/87/53/70/1039875370.db2.gz RCSNQLFBKODKJX-CQSZACIVSA-N 0 1 324.399 3.900 20 30 DHEDMN N#Cc1cccc(CN2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c1 ZINC000606451513 1039894150 /nfs/dbraw/zinc/89/41/50/1039894150.db2.gz QJWJNYMYUXQXSA-GOSISDBHSA-N 0 1 322.383 3.792 20 30 DHEDMN N#CCC1(CSc2nc(-c3ccc(Cl)cc3)n[nH]2)CC1 ZINC000594883384 1039912305 /nfs/dbraw/zinc/91/23/05/1039912305.db2.gz QDPOAGVJOVYPEO-UHFFFAOYSA-N 0 1 304.806 3.911 20 30 DHEDMN CCn1c2ccccc2nc1CNC(C)(C)c1cccc(C#N)c1 ZINC000594967636 1039970794 /nfs/dbraw/zinc/97/07/94/1039970794.db2.gz GEKMEQGJRANXBA-UHFFFAOYSA-N 0 1 318.424 3.953 20 30 DHEDMN C=CCCCCCN(C)Cc1csc(-c2cnn(C)c2)n1 ZINC000606902257 1040029456 /nfs/dbraw/zinc/02/94/56/1040029456.db2.gz LAXDRCTYBOSFIH-UHFFFAOYSA-N 0 1 304.463 3.722 20 30 DHEDMN C=CCCCCCN(C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000606902722 1040029966 /nfs/dbraw/zinc/02/99/66/1040029966.db2.gz XWMUTSQTCKMXJI-UHFFFAOYSA-N 0 1 324.852 3.965 20 30 DHEDMN C[C@@H](NCC1(C#N)CCCCC1)c1ccc(-n2cccn2)cc1 ZINC000595092025 1040079359 /nfs/dbraw/zinc/07/93/59/1040079359.db2.gz UYYOIQCFICEPHT-MRXNPFEDSA-N 0 1 308.429 3.997 20 30 DHEDMN N#CC(C(=O)[C@@H]1C[C@]12CCCc1ccccc12)c1ccccn1 ZINC000173950150 1040467009 /nfs/dbraw/zinc/46/70/09/1040467009.db2.gz ZRIUOHRMVINTCU-KNBMTAEXSA-N 0 1 302.377 3.552 20 30 DHEDMN CC(C)CN(Cc1c(C2CC2)cnn1C)Cc1ccc(C#N)cc1 ZINC000596984907 1040617282 /nfs/dbraw/zinc/61/72/82/1040617282.db2.gz XKRHMHCEKDBRBQ-UHFFFAOYSA-N 0 1 322.456 3.827 20 30 DHEDMN C=C(Br)CSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000060429039 1040645845 /nfs/dbraw/zinc/64/58/45/1040645845.db2.gz JYYOUIFVKGPRTJ-BQYQJAHWSA-N 0 1 322.231 3.976 20 30 DHEDMN C#CCOc1ccc(CN[C@@H](c2ncc(C)s2)C2CC2)cc1 ZINC000174545451 1040664174 /nfs/dbraw/zinc/66/41/74/1040664174.db2.gz GVHHBJYBRBCDPV-QGZVFWFLSA-N 0 1 312.438 3.704 20 30 DHEDMN CC[C@H](C)Oc1cc(CN2CCC[C@@H](CC#N)C2)ccc1OC ZINC000597172490 1040666808 /nfs/dbraw/zinc/66/68/08/1040666808.db2.gz AXWYUWWYIFFWAG-HOTGVXAUSA-N 0 1 316.445 3.998 20 30 DHEDMN CC[C@@](C)(C#N)C(=O)N(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000597721776 1040878959 /nfs/dbraw/zinc/87/89/59/1040878959.db2.gz BIFZDJJQSIEHCN-QFYYESIMSA-N 0 1 318.808 3.676 20 30 DHEDMN CCCCCc1cc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)n[nH]1 ZINC000597797369 1040900923 /nfs/dbraw/zinc/90/09/23/1040900923.db2.gz XWDPVZUKZWGPJH-AWEZNQCLSA-N 0 1 324.428 3.847 20 30 DHEDMN N#Cc1c2c(sc1NC(=O)c1ocnc1C(F)F)CCCC2 ZINC000602226798 1040917203 /nfs/dbraw/zinc/91/72/03/1040917203.db2.gz UFTDOKFTLFLOFX-UHFFFAOYSA-N 0 1 323.324 3.676 20 30 DHEDMN CCCCCCCC(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC000129914606 1041015205 /nfs/dbraw/zinc/01/52/05/1041015205.db2.gz UNNDUCDJAAGSFH-CQSZACIVSA-N 0 1 316.401 3.703 20 30 DHEDMN CCCN(Cc1c2c(nn1C)CCCC2)Cc1ccc(C#N)cc1 ZINC000602445523 1041037322 /nfs/dbraw/zinc/03/73/22/1041037322.db2.gz WRBDXPLAWWRLTF-UHFFFAOYSA-N 0 1 322.456 3.583 20 30 DHEDMN N#Cc1cccc(CN2CCC(OCC3CCCCC3)CC2)n1 ZINC000602456233 1041040258 /nfs/dbraw/zinc/04/02/58/1041040258.db2.gz WKRZJBIHFITIDD-UHFFFAOYSA-N 0 1 313.445 3.515 20 30 DHEDMN CSc1cccc(F)c1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602648911 1041132560 /nfs/dbraw/zinc/13/25/60/1041132560.db2.gz DOYXQEVIJVBGCH-ZDUSSCGKSA-N 0 1 322.449 3.736 20 30 DHEDMN COCCCC[C@@H](NCc1cccc(C#N)n1)c1ccccc1 ZINC000602648895 1041132779 /nfs/dbraw/zinc/13/27/79/1041132779.db2.gz PIZGPFPNHBPWLQ-LJQANCHMSA-N 0 1 309.413 3.601 20 30 DHEDMN Cn1ccnc1[C@@H](N[C@H](CCCC#N)c1ccccc1)C1CC1 ZINC000602670910 1041139631 /nfs/dbraw/zinc/13/96/31/1041139631.db2.gz RWSMWSHDBJBHOG-MSOLQXFVSA-N 0 1 308.429 3.896 20 30 DHEDMN N#Cc1ccc(CN2CCC(Cc3nccs3)CC2)cc1F ZINC000602735852 1041187256 /nfs/dbraw/zinc/18/72/56/1041187256.db2.gz ZKUOERKUDYTRFB-UHFFFAOYSA-N 0 1 315.417 3.609 20 30 DHEDMN COc1ccc(OC)c([C@@H]2CCCN2CC2(CC#N)CC2)c1 ZINC000602765026 1041213743 /nfs/dbraw/zinc/21/37/43/1041213743.db2.gz ACXSHNMNFKEMAK-INIZCTEOSA-N 0 1 300.402 3.535 20 30 DHEDMN N#Cc1ccc(C2CCN(Cc3cc(F)cc(F)c3)CC2)nc1 ZINC000602907562 1041296456 /nfs/dbraw/zinc/29/64/56/1041296456.db2.gz NYHYCLGNDARRMM-UHFFFAOYSA-N 0 1 313.351 3.611 20 30 DHEDMN C[C@@H](CCC#N)N(C)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000602893028 1041299189 /nfs/dbraw/zinc/29/91/89/1041299189.db2.gz OJSYZPQFODSGEM-JTQLQIEISA-N 0 1 310.323 3.706 20 30 DHEDMN CN(Cc1ccc(Br)cc1F)[C@@H]1CC[C@H](C#N)C1 ZINC000602926396 1041307989 /nfs/dbraw/zinc/30/79/89/1041307989.db2.gz PLQLHRJFYRFWKJ-GXFFZTMASA-N 0 1 311.198 3.712 20 30 DHEDMN CN(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)[C@@H]1CC[C@@H](C#N)C1 ZINC000602893700 1041299610 /nfs/dbraw/zinc/29/96/10/1041299610.db2.gz SIJRBDWWPNMVQT-ZYHUDNBSSA-N 0 1 322.334 3.706 20 30 DHEDMN CCc1ccc(CN2CCC(Nc3ccccc3C#N)CC2)nc1 ZINC000602901958 1041302542 /nfs/dbraw/zinc/30/25/42/1041302542.db2.gz SNWNPMGQGZDQEB-UHFFFAOYSA-N 0 1 320.440 3.592 20 30 DHEDMN CCCc1nc(C)c(CN2CCC(c3ccc(C#N)cn3)CC2)o1 ZINC000602905801 1041304854 /nfs/dbraw/zinc/30/48/54/1041304854.db2.gz CYUUBVVKNTVNKJ-UHFFFAOYSA-N 0 1 324.428 3.582 20 30 DHEDMN Cc1cccc(C)c1NC(=O)CCCN(C)[C@@H]1CCC[C@@H]1C#N ZINC000602975500 1041336230 /nfs/dbraw/zinc/33/62/30/1041336230.db2.gz BYHKWSPRVKIWKS-IAGOWNOFSA-N 0 1 313.445 3.646 20 30 DHEDMN C[C@@H](c1nc2ccccc2s1)N(C)C[C@@H](O)CC(C)(C)C#N ZINC000598595820 1041354935 /nfs/dbraw/zinc/35/49/35/1041354935.db2.gz WIXOZRWMBLMUQB-STQMWFEESA-N 0 1 317.458 3.590 20 30 DHEDMN O=C(/C=C/c1ccc(N2CCCC2)cc1)c1ccc(O)cc1O ZINC000096909620 185391012 /nfs/dbraw/zinc/39/10/12/185391012.db2.gz QTFHMBIGUFBINV-BJMVGYQFSA-N 0 1 309.365 3.594 20 30 DHEDMN N#Cc1ccc(F)c(CN[C@@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC000090117883 185283070 /nfs/dbraw/zinc/28/30/70/185283070.db2.gz JABQIVDFHULWPN-UZLBHIALSA-N 0 1 324.399 3.955 20 30 DHEDMN N#Cc1cccc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000016339589 182040622 /nfs/dbraw/zinc/04/06/22/182040622.db2.gz CZWZUQSYCALRGH-SFHVURJKSA-N 0 1 320.392 3.667 20 30 DHEDMN C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccc2c(c1)OCCO2 ZINC000272178428 130005503 /nfs/dbraw/zinc/00/55/03/130005503.db2.gz FLJLZBJGAHUUCU-CQSZACIVSA-N 0 1 320.392 3.669 20 30 DHEDMN CCN(Cc1cccc(O)c1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000272275866 130016127 /nfs/dbraw/zinc/01/61/27/130016127.db2.gz MCOIXZRZGCQUBP-CQSZACIVSA-N 0 1 310.397 3.856 20 30 DHEDMN C[C@H](c1cccc(C#N)c1)N1CCC(C(=O)OC(C)(C)C)CC1 ZINC000275551900 130336404 /nfs/dbraw/zinc/33/64/04/130336404.db2.gz GIWUCJBYAQSPQJ-CQSZACIVSA-N 0 1 314.429 3.673 20 30 DHEDMN CN1CC[C@H](Nc2nc(Cl)c(C#N)s2)[C@@H]1c1ccccc1 ZINC000286562461 131241423 /nfs/dbraw/zinc/24/14/23/131241423.db2.gz QYYSLAQKPGJORX-AAEUAGOBSA-N 0 1 318.833 3.525 20 30 DHEDMN C=CCOc1ccc(CN2CC[C@@H](n3cccn3)C2)cc1Cl ZINC000291363633 335081739 /nfs/dbraw/zinc/08/17/39/335081739.db2.gz YOOYQKWIPPLIRW-OAHLLOKOSA-N 0 1 317.820 3.548 20 30 DHEDMN CN(CCCOc1cccc(Cl)c1)Cc1ccc(C#N)o1 ZINC000092166141 332114066 /nfs/dbraw/zinc/11/40/66/332114066.db2.gz BBXFOIGMNVTLQM-UHFFFAOYSA-N 0 1 304.777 3.706 20 30 DHEDMN COc1ccccc1CC1CCN(Cc2ccc(C#N)o2)CC1 ZINC000092972731 332132737 /nfs/dbraw/zinc/13/27/37/332132737.db2.gz SGLMDTUNIMXRSI-UHFFFAOYSA-N 0 1 310.397 3.615 20 30 DHEDMN CN(CCC#N)c1ccc(CNCc2cc(F)ccc2F)cc1 ZINC000105496419 332252025 /nfs/dbraw/zinc/25/20/25/332252025.db2.gz YTHWVKIBJGVLTH-UHFFFAOYSA-N 0 1 315.367 3.604 20 30 DHEDMN C=C(C)CNCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000119645628 332260482 /nfs/dbraw/zinc/26/04/82/332260482.db2.gz QGJGFSAVECCWAI-UHFFFAOYSA-N 0 1 306.207 3.505 20 30 DHEDMN C=CCC(C)(C)C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000559880558 332288054 /nfs/dbraw/zinc/28/80/54/332288054.db2.gz BEQIKRIDQZOJBO-UHFFFAOYSA-N 0 1 304.781 3.666 20 30 DHEDMN C=C(C)C[C@H](C)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000184978075 335100679 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ZINC000295048019 335130088 /nfs/dbraw/zinc/13/00/88/335130088.db2.gz JTWWOBKKXLVIGO-CQSZACIVSA-N 0 1 311.429 3.790 20 30 DHEDMN N#Cc1ccccc1OCCN1CC=C(c2ccc(F)cc2)CC1 ZINC000497615644 333270026 /nfs/dbraw/zinc/27/00/26/333270026.db2.gz SNFPTDJJABQGEI-UHFFFAOYSA-N 0 1 322.383 3.865 20 30 DHEDMN N#CC(C(=O)c1cccnc1)c1nc2cc(Cl)ccc2s1 ZINC000119968439 333329947 /nfs/dbraw/zinc/32/99/47/333329947.db2.gz OEJZPHPDQVRJPM-NSHDSACASA-N 0 1 313.769 3.835 20 30 DHEDMN N#C[C@@H](C(=O)c1cccnc1)c1nc2cc(Cl)ccc2s1 ZINC000119968439 333329949 /nfs/dbraw/zinc/32/99/49/333329949.db2.gz OEJZPHPDQVRJPM-NSHDSACASA-N 0 1 313.769 3.835 20 30 DHEDMN CCN1CC[C@H](NCC2(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000338637119 333493918 /nfs/dbraw/zinc/49/39/18/333493918.db2.gz NTQQHKXFWQUHLN-HOTGVXAUSA-N 0 1 321.827 3.508 20 30 DHEDMN COc1ccc(CN[C@H](C)c2cc(C)ccc2OC)cc1C#N ZINC000124953799 333504403 /nfs/dbraw/zinc/50/44/03/333504403.db2.gz HUUZQTRLILMFMQ-CQSZACIVSA-N 0 1 310.397 3.735 20 30 DHEDMN CCc1nc(C(C)C)ccc1CN1CCC(C#N)(COC)CC1 ZINC000339167668 333511858 /nfs/dbraw/zinc/51/18/58/333511858.db2.gz AXJZMQHXSIZEDQ-UHFFFAOYSA-N 0 1 315.461 3.520 20 30 DHEDMN N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000414638457 334049851 /nfs/dbraw/zinc/04/98/51/334049851.db2.gz OAKUDDCOJNKPPH-RTBURBONSA-N 0 1 320.392 3.657 20 30 DHEDMN CCOC(CC/N=C/c1cc(Cl)cc(Cl)c1O)OCC ZINC000276390211 334076896 /nfs/dbraw/zinc/07/68/96/334076896.db2.gz RSJBQNOWFRVCKP-RQZCQDPDSA-N 0 1 320.216 3.907 20 30 DHEDMN CSc1ccccc1CN(C)Cc1ccc(OCC#N)cc1 ZINC000280394572 334117143 /nfs/dbraw/zinc/11/71/43/334117143.db2.gz KNAHMLHILUXVMD-UHFFFAOYSA-N 0 1 312.438 3.943 20 30 DHEDMN CCc1nc2ccccc2n1C1CCN(CC2(C#N)CC2)CC1 ZINC000343582463 335179269 /nfs/dbraw/zinc/17/92/69/335179269.db2.gz PKHMPFKDLCHBOY-UHFFFAOYSA-N 0 1 308.429 3.539 20 30 DHEDMN CC[C@](C)(C#N)C(=O)Nc1cccc2c1CN(CCC(C)C)C2 ZINC000289399982 334164913 /nfs/dbraw/zinc/16/49/13/334164913.db2.gz NCTOZGNXHPTOMO-LJQANCHMSA-N 0 1 313.445 3.927 20 30 DHEDMN CCOc1cc(CN[C@@H](CCC#N)c2ccccc2)ccc1O ZINC000297790116 334244304 /nfs/dbraw/zinc/24/43/04/334244304.db2.gz WRVXOTSUBDSKFA-KRWDZBQOSA-N 0 1 310.397 3.926 20 30 DHEDMN C=CC1CCN(Cc2nc(-c3ccc(OCC)cc3)no2)CC1 ZINC000111259474 334314755 /nfs/dbraw/zinc/31/47/55/334314755.db2.gz SYQIFIIIAZUHQZ-UHFFFAOYSA-N 0 1 313.401 3.533 20 30 DHEDMN C[C@@H](C#N)C(=O)Nc1ccc2nc(-c3ccccc3Cl)[nH]c2c1 ZINC000534704964 334328622 /nfs/dbraw/zinc/32/86/22/334328622.db2.gz KDLRREYXNYRANZ-JTQLQIEISA-N 0 1 324.771 3.981 20 30 DHEDMN CCC(=O)c1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cc1 ZINC000340940069 334395280 /nfs/dbraw/zinc/39/52/80/334395280.db2.gz BRJZSOZIPSMJHO-AWEZNQCLSA-N 0 1 317.348 3.646 20 30 DHEDMN C=CCCO[C@H](C)C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000340943864 334395455 /nfs/dbraw/zinc/39/54/55/334395455.db2.gz YEAKAFANFGTAJL-GFCCVEGCSA-N 0 1 313.401 3.750 20 30 DHEDMN CCOc1ccc([C@H](C)NCc2ccc(C#N)s2)cc1OC ZINC000343074787 334600850 /nfs/dbraw/zinc/60/08/50/334600850.db2.gz WTQJQQDIDOGOMO-LBPRGKRZSA-N 0 1 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CCO[C@H](CC(=O)N[C@@H]1CCCc2cn[nH]c21)C1=CCCC1 ZINC000330162562 336119515 /nfs/dbraw/zinc/11/95/15/336119515.db2.gz UQALATGWOXJJFS-HUUCEWRRSA-N 0 1 303.406 3.649 20 30 DHEDMN CC(C)(C)C1CCC(O)(CNC(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000330233206 336127706 /nfs/dbraw/zinc/12/77/06/336127706.db2.gz RZQBJBZLYLMSOY-NLGTXKQRSA-N 0 1 322.493 3.537 20 30 DHEDMN COc1c2ccccc2oc1CNC(=O)[C@H]1CCCN1C1CC1 ZINC000330238207 336128398 /nfs/dbraw/zinc/12/83/98/336128398.db2.gz VDFWXVNMAJYMKU-CQSZACIVSA-N 0 1 314.385 3.525 20 30 DHEDMN CC[C@@H]1CCC[C@H](NC(=O)c2cn[nH]c2-c2cnn(CC)c2)C1 ZINC000330335305 336167716 /nfs/dbraw/zinc/16/77/16/336167716.db2.gz YXPOYLUWXGBKPD-OCCSQVGLSA-N 0 1 315.421 3.567 20 30 DHEDMN C=CCN(CCc1ccco1)Cc1cc(C(=O)OC)sc1C ZINC000352701585 336231242 /nfs/dbraw/zinc/23/12/42/336231242.db2.gz KXGHDUAOALVLPT-UHFFFAOYSA-N 0 1 319.426 3.667 20 30 DHEDMN C[C@@H]1CN(C(C)(C)CNc2cc(Cl)ccc2C#N)C[C@H](C)O1 ZINC000301288413 336298845 /nfs/dbraw/zinc/29/88/45/336298845.db2.gz RYRDBWARQOCMBN-BETUJISGSA-N 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ZINC000193270932 337309624 /nfs/dbraw/zinc/30/96/24/337309624.db2.gz NFUTYVWKWSQCRH-AWEZNQCLSA-N 0 1 307.378 3.798 20 30 DHEDMN Cc1ccc2c(c1)[C@@H](NCc1cccc(OCCCC#N)c1)CO2 ZINC000123508002 337399707 /nfs/dbraw/zinc/39/97/07/337399707.db2.gz NEWGEEGAFPSKFH-IBGZPJMESA-N 0 1 322.408 3.901 20 30 DHEDMN N#CC1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000123729123 337400794 /nfs/dbraw/zinc/40/07/94/337400794.db2.gz JCGVOYCNRGLQRB-UHFFFAOYSA-N 0 1 311.341 3.590 20 30 DHEDMN N#Cc1ccc(CN[C@H](c2ccccc2)[C@@H]2CCCO2)cc1F ZINC000421320039 337526059 /nfs/dbraw/zinc/52/60/59/337526059.db2.gz BSJKPTXDGXJABO-RBUKOAKNSA-N 0 1 310.372 3.707 20 30 DHEDMN C#CCOc1ccccc1CN[C@H]1CCCc2nc(C)sc21 ZINC000271445369 337644289 /nfs/dbraw/zinc/64/42/89/337644289.db2.gz HJALBABZFCTWOS-HNNXBMFYSA-N 0 1 312.438 3.631 20 30 DHEDMN C#CC[C@H](NCc1cc(C(=O)OC)sc1C)c1ccccc1 ZINC000271745202 337645117 /nfs/dbraw/zinc/64/51/17/337645117.db2.gz WKJAOJDMZFSYLG-INIZCTEOSA-N 0 1 313.422 3.697 20 30 DHEDMN COc1ccc([C@H](NCc2cccc(C#N)c2)C2CC2)c(F)c1 ZINC000421821297 337649126 /nfs/dbraw/zinc/64/91/26/337649126.db2.gz QOZIXIYUTZUIIJ-LJQANCHMSA-N 0 1 310.372 3.947 20 30 DHEDMN COc1ccc2c(c1F)CC[C@H]2NCc1ccc(C#N)s1 ZINC000421880416 337658507 /nfs/dbraw/zinc/65/85/07/337658507.db2.gz OHVQTLJLUVECOD-CQSZACIVSA-N 0 1 302.374 3.545 20 30 DHEDMN C[C@@H]1CCN(C(=O)c2ccc(C#N)c(O)c2)c2ccccc2S1 ZINC000527195389 337736673 /nfs/dbraw/zinc/73/66/73/337736673.db2.gz YFDVQJFHUZEXJL-GFCCVEGCSA-N 0 1 324.405 3.795 20 30 DHEDMN N#CC1CCN(Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000057906825 337867221 /nfs/dbraw/zinc/86/72/21/337867221.db2.gz YUEJNAGIMKBMSH-UHFFFAOYSA-N 0 1 316.408 3.737 20 30 DHEDMN C=C(C)CN(CC)C(=O)CN[C@@H](c1ccc(F)cc1F)C(C)C ZINC000537123165 337893449 /nfs/dbraw/zinc/89/34/49/337893449.db2.gz GQCSAWODNYMACD-GOSISDBHSA-N 0 1 324.415 3.676 20 30 DHEDMN CN(CC#Cc1ccc(Cl)cc1)[C@@H](CCO)c1ccccc1 ZINC000426450944 338032376 /nfs/dbraw/zinc/03/23/76/338032376.db2.gz OWXINZOPBSWZOE-IBGZPJMESA-N 0 1 313.828 3.747 20 30 DHEDMN Cc1sc(NC(=O)CN2C[C@H](C)CCC[C@H]2C)c(C#N)c1C ZINC000426471871 338033187 /nfs/dbraw/zinc/03/31/87/338033187.db2.gz XKSQWHCLZBTLQM-VXGBXAGGSA-N 0 1 319.474 3.686 20 30 DHEDMN C=C[C@H]1CCCCN1Cc1cc(OC)c(OC)cc1SC ZINC000426556425 338034598 /nfs/dbraw/zinc/03/45/98/338034598.db2.gz BDNZVMIBXHDJPK-AWEZNQCLSA-N 0 1 307.459 3.966 20 30 DHEDMN COc1ccccc1C[C@@H](C)N(C)Cc1cccc(F)c1C#N ZINC000428254174 338044524 /nfs/dbraw/zinc/04/45/24/338044524.db2.gz UFFHDZWSQZILIY-CQSZACIVSA-N 0 1 312.388 3.769 20 30 DHEDMN CCCc1ccc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000428786781 338060971 /nfs/dbraw/zinc/06/09/71/338060971.db2.gz WZHRYDBCZVEDCM-IBGZPJMESA-N 0 1 321.424 3.559 20 30 DHEDMN CC(C)c1ccc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000428787394 338061116 /nfs/dbraw/zinc/06/11/16/338061116.db2.gz YKMXXGRBAFINCS-LJQANCHMSA-N 0 1 321.424 3.730 20 30 DHEDMN C[C@H](c1cccc(C#N)c1)N1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429229438 338073928 /nfs/dbraw/zinc/07/39/28/338073928.db2.gz CRCVULREFKMTQQ-JKSUJKDBSA-N 0 1 323.415 3.969 20 30 DHEDMN CC(C)(NCc1ccc(C#N)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000429246513 338074603 /nfs/dbraw/zinc/07/46/03/338074603.db2.gz GTPRQRXSTBEDGR-UHFFFAOYSA-N 0 1 313.332 3.630 20 30 DHEDMN CC1(C)Cc2c(cccc2Br)[C@H]1NCC1(C#N)CC1 ZINC000429367465 338078701 /nfs/dbraw/zinc/07/87/01/338078701.db2.gz VIDBEYGMSHMQJB-CQSZACIVSA-N 0 1 319.246 3.966 20 30 DHEDMN C[C@H]1CC[C@@H](N(C)CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000429560454 338084111 /nfs/dbraw/zinc/08/41/11/338084111.db2.gz NJEKHSWIWIDYHT-JKSUJKDBSA-N 0 1 323.440 3.858 20 30 DHEDMN CCC(CC)n1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)n1 ZINC000431271069 338127166 /nfs/dbraw/zinc/12/71/66/338127166.db2.gz VVEHVQQIQXLRCN-CYBMUJFWSA-N 0 1 321.384 3.611 20 30 DHEDMN Cc1ccn(C2CCN(Cc3ccc(C#N)cc3Cl)CC2)n1 ZINC000434496729 338218430 /nfs/dbraw/zinc/21/84/30/338218430.db2.gz KFEBNXXWDNSQBD-UHFFFAOYSA-N 0 1 314.820 3.554 20 30 DHEDMN C[N@@H+](CCOc1ccccc1)Cc1cccc(OCCCC#N)c1 ZINC000154732902 338251141 /nfs/dbraw/zinc/25/11/41/338251141.db2.gz LKCMBSQUMCVWCK-UHFFFAOYSA-N 0 1 324.424 3.880 20 30 DHEDMN Fc1ccc(C#CCN(CCc2ccccc2)[C@@H]2CCOC2)cc1 ZINC000438473226 338345049 /nfs/dbraw/zinc/34/50/49/338345049.db2.gz CUQPSMWSTJFKMY-OAQYLSRUSA-N 0 1 323.411 3.511 20 30 DHEDMN C[C@@H](C[N@@H+](C)Cc1ccc(C#N)cc1Cl)c1nccs1 ZINC000439439468 338369359 /nfs/dbraw/zinc/36/93/59/338369359.db2.gz OGDDIXHGMITVPA-NSHDSACASA-N 0 1 305.834 3.904 20 30 DHEDMN C[C@@H](CN(C)Cc1ccc(C#N)cc1Cl)c1nccs1 ZINC000439439468 338369360 /nfs/dbraw/zinc/36/93/60/338369360.db2.gz OGDDIXHGMITVPA-NSHDSACASA-N 0 1 305.834 3.904 20 30 DHEDMN C=C[C@@H]1OCCC[C@H]1NCc1csc(-c2ccsc2)n1 ZINC000449545977 338636353 /nfs/dbraw/zinc/63/63/53/338636353.db2.gz ASHLZNJOVBTKAP-KGLIPLIRSA-N 0 1 306.456 3.695 20 30 DHEDMN N#Cc1csc(CNC2(Cc3cccc(Cl)c3)CC2)n1 ZINC000449677079 338645855 /nfs/dbraw/zinc/64/58/55/338645855.db2.gz LLMCTKBEQPZVCZ-UHFFFAOYSA-N 0 1 303.818 3.533 20 30 DHEDMN C=CC(C)(C)C(=O)Nc1cc(Br)cc(Cl)c1O ZINC000450294431 338675960 /nfs/dbraw/zinc/67/59/60/338675960.db2.gz NTCKOQNQYCCGLM-UHFFFAOYSA-N 0 1 318.598 3.959 20 30 DHEDMN C=C[C@@H]1OCCC[C@H]1NCc1coc(-c2ccc(Cl)cc2)n1 ZINC000451670845 338741576 /nfs/dbraw/zinc/74/15/76/338741576.db2.gz DHZPNIFSQLWFRB-CVEARBPZSA-N 0 1 318.804 3.818 20 30 DHEDMN CCCN(Cc1ccc(C#N)cc1)Cc1cnc(C2CC2)nc1 ZINC000459295764 339019827 /nfs/dbraw/zinc/01/98/27/339019827.db2.gz GXVYULOSGUSVNH-UHFFFAOYSA-N 0 1 306.413 3.638 20 30 DHEDMN C[C@H](c1ccccc1)[C@H](C)NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000459393588 339026751 /nfs/dbraw/zinc/02/67/51/339026751.db2.gz WCXDJJKIFSGKNN-KBPBESRZSA-N 0 1 309.369 3.748 20 30 DHEDMN C[C@@H](NCc1c(C#N)cccc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000459401461 339027165 /nfs/dbraw/zinc/02/71/65/339027165.db2.gz XUIVYTAUEMAZLS-CQSZACIVSA-N 0 1 323.396 3.922 20 30 DHEDMN N#CC1CCC(C[NH2+]Cc2cccc([O-])c2Br)CC1 ZINC000459538082 339034599 /nfs/dbraw/zinc/03/45/99/339034599.db2.gz USWIRFGHLGCZSN-UHFFFAOYSA-N 0 1 323.234 3.574 20 30 DHEDMN C[C@@H](C(=O)Nc1cc(Cl)c(O)cc1F)c1cccc(C#N)c1 ZINC000462466926 339079477 /nfs/dbraw/zinc/07/94/77/339079477.db2.gz YIWJFKUOZPPLEI-SECBINFHSA-N 0 1 318.735 3.799 20 30 DHEDMN C=CCNC(=O)CN(C)[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000464776964 339152894 /nfs/dbraw/zinc/15/28/94/339152894.db2.gz VAKQSVTZOVLHTO-INIZCTEOSA-N 0 1 308.425 3.649 20 30 DHEDMN C=CCCN(C)CC(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000467289840 339230051 /nfs/dbraw/zinc/23/00/51/339230051.db2.gz FJJBTTCWGKSLMM-IBGZPJMESA-N 0 1 300.446 3.542 20 30 DHEDMN C=CC[C@H](CC)NC(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000467696349 339244537 /nfs/dbraw/zinc/24/45/37/339244537.db2.gz UNBAKEAUAITFRR-ZWKOTPCHSA-N 0 1 300.446 3.512 20 30 DHEDMN CN(CCOc1ccccc1Cl)Cc1ccc(F)c(C#N)c1 ZINC000468276171 339258569 /nfs/dbraw/zinc/25/85/69/339258569.db2.gz HLPAMAQSMBRREW-UHFFFAOYSA-N 0 1 318.779 3.862 20 30 DHEDMN C=CCN1C(=O)N=NC1SCCCc1ccc(Cl)cc1 ZINC000470837632 339329034 /nfs/dbraw/zinc/32/90/34/339329034.db2.gz VXXPCFZMQKPOOI-UHFFFAOYSA-N 0 1 309.822 3.548 20 30 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/nfs/dbraw/zinc/00/71/21/1021007121.db2.gz GTHLGQRUYOZMKK-UHFFFAOYSA-N 0 1 323.306 3.835 20 30 DHEDMN Fc1cc2nc(NN=Cc3ccc4ccccc4n3)[nH]c2cc1F ZINC000741457254 1021007122 /nfs/dbraw/zinc/00/71/22/1021007122.db2.gz GTHLGQRUYOZMKK-UHFFFAOYSA-N 0 1 323.306 3.835 20 30 DHEDMN Cc1ccc(Br)c(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000414245387 1021029870 /nfs/dbraw/zinc/02/98/70/1021029870.db2.gz ALLVHFHYGLDVAW-GXTWGEPZSA-N 0 1 307.235 3.930 20 30 DHEDMN C#CC[C@H]1CCCN(Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000829784035 1021035867 /nfs/dbraw/zinc/03/58/67/1021035867.db2.gz FAJDMINRTHLMGP-ZDUSSCGKSA-N 0 1 315.804 3.625 20 30 DHEDMN Cc1nc(Cl)cc(N=NC2CCSc3ccccc32)n1 ZINC000741763707 1021047766 /nfs/dbraw/zinc/04/77/66/1021047766.db2.gz DFDKBWFKADKAKM-UHFFFAOYSA-N 0 1 304.806 3.750 20 30 DHEDMN COc1ccc(CN2CC[C@@H](c3ccc(F)cc3)C2)c(C#N)c1 ZINC001137704671 1021061912 /nfs/dbraw/zinc/06/19/12/1021061912.db2.gz PJZCMOQOGYLGBT-MRXNPFEDSA-N 0 1 310.372 3.695 20 30 DHEDMN C[C@H](NC1CCC(C#N)(c2ccccc2)CC1)c1csnn1 ZINC000414312372 1021083576 /nfs/dbraw/zinc/08/35/76/1021083576.db2.gz ZTRMJCHWJSYCOQ-KTAKPFMOSA-N 0 1 312.442 3.593 20 30 DHEDMN C#CCCCSc1nc(-c2ccccc2Br)n[nH]1 ZINC000766282913 1021122764 /nfs/dbraw/zinc/12/27/64/1021122764.db2.gz CSLARWBFXXCQIW-UHFFFAOYSA-N 0 1 322.231 3.740 20 30 DHEDMN C=CCN(CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)C(C)C ZINC000917168100 1021205756 /nfs/dbraw/zinc/20/57/56/1021205756.db2.gz MIQCAOHVKBWJCM-CQSZACIVSA-N 0 1 308.853 3.756 20 30 DHEDMN C=CCCCCCN(C)CN1C(=O)[C@H](C)[C@H]1c1ccccc1 ZINC000743372228 1021271053 /nfs/dbraw/zinc/27/10/53/1021271053.db2.gz ZQIFPTRKUDOIKS-AEFFLSMTSA-N 0 1 300.446 3.842 20 30 DHEDMN C=CC[N@@H+](Cc1c([O-])c(C(=O)OC)cc2ccccc21)C(C)C ZINC000917481662 1021274357 /nfs/dbraw/zinc/27/43/57/1021274357.db2.gz UFCGOIOQSYTPAR-UHFFFAOYSA-N 0 1 313.397 3.728 20 30 DHEDMN C=CC[N@H+](Cc1c([O-])c(C(=O)OC)cc2ccccc21)C(C)C ZINC000917481662 1021274366 /nfs/dbraw/zinc/27/43/66/1021274366.db2.gz UFCGOIOQSYTPAR-UHFFFAOYSA-N 0 1 313.397 3.728 20 30 DHEDMN N#Cc1ccc2c(c1)CCCC2N=Nc1ccc([N+](=O)[O-])cc1 ZINC000743419756 1021289937 /nfs/dbraw/zinc/28/99/37/1021289937.db2.gz ZUEYWUKKPKGFAP-UHFFFAOYSA-N 0 1 306.325 3.619 20 30 DHEDMN CCCCCC[C@H](C)NN=Cc1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000743449953 1021294740 /nfs/dbraw/zinc/29/47/40/1021294740.db2.gz CYEGRGHILKZTID-LBPRGKRZSA-N 0 1 323.393 3.591 20 30 DHEDMN Fc1cccc(N2CCCC2)c1CN=Nc1ncccc1Cl ZINC000917548719 1021299138 /nfs/dbraw/zinc/29/91/38/1021299138.db2.gz FFKPYPOKDQSCRL-UHFFFAOYSA-N 0 1 318.783 3.920 20 30 DHEDMN C[C@H](NCc1cnc(-c2ccccc2)nc1)c1ccc(C#N)cc1 ZINC000069674571 1021307915 /nfs/dbraw/zinc/30/79/15/1021307915.db2.gz UEECNATUWFSATI-HNNXBMFYSA-N 0 1 314.392 3.866 20 30 DHEDMN Cc1ccc2c(CN[C@H](C)c3cccc(C#N)c3)cc(=O)oc2c1 ZINC000743492804 1021310414 /nfs/dbraw/zinc/31/04/14/1021310414.db2.gz UISXAPURAZPTHG-CQSZACIVSA-N 0 1 318.376 3.824 20 30 DHEDMN CC[C@@](C)(O)CN(Cc1ccccc1)Cc1ccccc1C#N ZINC000189741883 1021435733 /nfs/dbraw/zinc/43/57/33/1021435733.db2.gz ZHJNKDBPRZLZOZ-HXUWFJFHSA-N 0 1 308.425 3.721 20 30 DHEDMN C#Cc1cccc(NC(=O)CN(C)[C@H](C)c2cccc(C)c2)c1 ZINC000744389174 1021526387 /nfs/dbraw/zinc/52/63/87/1021526387.db2.gz MVEKIYVMFGWSKQ-MRXNPFEDSA-N 0 1 306.409 3.608 20 30 DHEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1oc(-c2ccccc2)nc1C(=O)[O-] ZINC000659802174 1021538736 /nfs/dbraw/zinc/53/87/36/1021538736.db2.gz QYRIQSLLUJFNBO-GASCZTMLSA-N 0 1 324.380 3.723 20 30 DHEDMN Cc1csc([C@H](C#N)C(=O)CC[C@@H]2CC2(Cl)Cl)n1 ZINC000850735929 1021631467 /nfs/dbraw/zinc/63/14/67/1021631467.db2.gz FKLNVQGDOVIWEP-RKDXNWHRSA-N 0 1 303.214 3.602 20 30 DHEDMN C#CCSCCN[C@@H](C)c1ncc(C(F)(F)F)cc1Cl ZINC000925456604 1021656047 /nfs/dbraw/zinc/65/60/47/1021656047.db2.gz ZCHIAZHAIKCQKS-VIFPVBQESA-N 0 1 322.783 3.771 20 30 DHEDMN N#CC(C(=O)Nc1ccccc1)C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000850758553 1021641125 /nfs/dbraw/zinc/64/11/25/1021641125.db2.gz AZEKJSLCDCCFBL-VVLHAWIVSA-N 0 1 310.397 3.550 20 30 DHEDMN C=C(C)C[C@H](CO)N[C@H](C)c1ncc(C(F)(F)F)cc1Cl ZINC000926865311 1021690046 /nfs/dbraw/zinc/69/00/46/1021690046.db2.gz ROCSNJMEMOSXDS-MWLCHTKSSA-N 0 1 322.758 3.732 20 30 DHEDMN CO[C@H](C(=O)C(C#N)c1nc(C2CC2)cs1)C1CCCCC1 ZINC000851099907 1021738149 /nfs/dbraw/zinc/73/81/49/1021738149.db2.gz BHGULYUHUGCSAE-BBRMVZONSA-N 0 1 318.442 3.792 20 30 DHEDMN COc1cc(CN2CCS[C@H](c3ccccc3)C2)ccc1C#N ZINC000619674489 1021825388 /nfs/dbraw/zinc/82/53/88/1021825388.db2.gz PYIMSITYNMEGAG-IBGZPJMESA-N 0 1 324.449 3.857 20 30 DHEDMN COc1cc(CN2CCC[C@@H]2c2ccc(O)cc2)ccc1C#N ZINC000619674372 1021825690 /nfs/dbraw/zinc/82/56/90/1021825690.db2.gz RJKDHVCYJKUYSH-GOSISDBHSA-N 0 1 308.381 3.610 20 30 DHEDMN CCCCCCCCCNC(=O)[C@@H]1Cc2ccccc2CN1 ZINC000746295827 1021910389 /nfs/dbraw/zinc/91/03/89/1021910389.db2.gz GNBPQYIGYJEQKJ-SFHVURJKSA-N 0 1 302.462 3.568 20 30 DHEDMN CCCCN1C(=O)N=NC1S[C@@H](C#N)c1ccc(Cl)cc1 ZINC000619863953 1021924154 /nfs/dbraw/zinc/92/41/54/1021924154.db2.gz XPWZTLGXOUZOTG-LBPRGKRZSA-N 0 1 322.821 3.794 20 30 DHEDMN Cc1ccc(NN=Cc2ccc(Br)c(C)c2)nc1 ZINC000746369862 1022048879 /nfs/dbraw/zinc/04/88/79/1022048879.db2.gz CWLHIYXEOGPKQU-UHFFFAOYSA-N 0 1 304.191 3.907 20 30 DHEDMN Cc1cc(N=NCc2csc(-c3ccsc3)n2)nc(C)n1 ZINC000920374221 1022110239 /nfs/dbraw/zinc/11/02/39/1022110239.db2.gz SZGMJUKGSOLJOH-UHFFFAOYSA-N 0 1 315.427 3.724 20 30 DHEDMN COc1ccc([C@@H](NCc2cc(C#N)ccc2F)C2CC2)cc1 ZINC000120195057 1022123641 /nfs/dbraw/zinc/12/36/41/1022123641.db2.gz FCWKRVKDJJALRQ-IBGZPJMESA-N 0 1 310.372 3.947 20 30 DHEDMN C[C@@H]1[C@H](C)N(CCCC(C)(C)C#N)CCN1C(=O)OC(C)(C)C ZINC000776604954 1022143237 /nfs/dbraw/zinc/14/32/37/1022143237.db2.gz YMVQIUNQOPZSBO-LSDHHAIUSA-N 0 1 323.481 3.646 20 30 DHEDMN CC(C)(C)OC(=O)NCCCCCCCN1CC[C@](C)(C#N)C1 ZINC000852687906 1022159941 /nfs/dbraw/zinc/15/99/41/1022159941.db2.gz XHVXFFATVSBSQA-GOSISDBHSA-N 0 1 323.481 3.697 20 30 DHEDMN N#Cc1c(CN2CCC[C@@H](c3nccs3)C2)cn2ccccc12 ZINC000195442414 1022188289 /nfs/dbraw/zinc/18/82/89/1022188289.db2.gz QFTQGROTGUYLBI-CQSZACIVSA-N 0 1 322.437 3.647 20 30 DHEDMN C=CC(=NCOC)NCc1ccccc1OCc1ccccc1 ZINC001168939243 1022190817 /nfs/dbraw/zinc/19/08/17/1022190817.db2.gz GMHGWNFUCFCJNW-UHFFFAOYSA-N 0 1 310.397 3.544 20 30 DHEDMN N#CCCN(Cc1ccc(Cl)cc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038817 1022222582 /nfs/dbraw/zinc/22/25/82/1022222582.db2.gz KNTVFZUBBNXVBX-ZBFHGGJFSA-N 0 1 321.808 3.501 20 30 DHEDMN COCc1csc(C=NNc2ncnc(Cl)c2C(C)C)c1 ZINC000853342449 1022261136 /nfs/dbraw/zinc/26/11/36/1022261136.db2.gz FOKIWIZUIBZXFQ-UHFFFAOYSA-N 0 1 324.837 3.907 20 30 DHEDMN C#Cc1cccc(N(C)C(=O)c2cc(-c3ccc(C)cc3)n[nH]2)c1 ZINC000103102571 1022288007 /nfs/dbraw/zinc/28/80/07/1022288007.db2.gz JVCXGXHKQXNNIO-UHFFFAOYSA-N 0 1 315.376 3.643 20 30 DHEDMN N#CC(C(=O)CCC1CCC1)C(=O)Nc1ccc(Cl)cc1 ZINC000175101383 1022293110 /nfs/dbraw/zinc/29/31/10/1022293110.db2.gz PCSKWKIGHXIXDW-CQSZACIVSA-N 0 1 304.777 3.568 20 30 DHEDMN N#CC(C(=O)CC1CCCCCC1)c1nnc2n1CCCCC2 ZINC000175120833 1022294878 /nfs/dbraw/zinc/29/48/78/1022294878.db2.gz QCIYCVZPHGJEDW-OAHLLOKOSA-N 0 1 314.433 3.541 20 30 DHEDMN CCOc1ccc(C(=O)/C=C/c2cc(F)c(O)c(F)c2)cc1 ZINC000175319944 1022340591 /nfs/dbraw/zinc/34/05/91/1022340591.db2.gz BDQAZQMSWWWLAX-FPYGCLRLSA-N 0 1 304.292 3.965 20 30 DHEDMN Cc1cccc2c1[C@H](C)/C(=C/c1cc(O)ccc1[N+](=O)[O-])C2=O ZINC000766695698 1022402747 /nfs/dbraw/zinc/40/27/47/1022402747.db2.gz LTFVWTPEBMBTAR-PDICVPPASA-N 0 1 309.321 3.992 20 30 DHEDMN O=C(/C=C/c1ccc(-n2cccn2)cc1)c1ccc(O)c(F)c1 ZINC000170851806 1022430821 /nfs/dbraw/zinc/43/08/21/1022430821.db2.gz HQSJEPQENPUFFU-XBXARRHUSA-N 0 1 308.312 3.613 20 30 DHEDMN Cc1nn(C)c(Cl)c1C=NN=c1[nH]c2ccccc2cc1C ZINC000776782123 1022573952 /nfs/dbraw/zinc/57/39/52/1022573952.db2.gz FQMRHONIQRAPDR-UHFFFAOYSA-N 0 1 313.792 3.685 20 30 DHEDMN C=CCCCCN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC001169901258 1022583755 /nfs/dbraw/zinc/58/37/55/1022583755.db2.gz RESZTUSBVUDQDU-SFHVURJKSA-N 0 1 317.864 3.879 20 30 DHEDMN C#CCOc1ccc(CN[C@H](C)c2ccc(F)cc2F)cc1 ZINC000113312977 1022626733 /nfs/dbraw/zinc/62/67/33/1022626733.db2.gz MABMMMBVWFEVPP-CYBMUJFWSA-N 0 1 301.336 3.828 20 30 DHEDMN C#CCC(C)(C)C(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000767075505 1022636883 /nfs/dbraw/zinc/63/68/83/1022636883.db2.gz KTILIFZJYXLXGK-INIZCTEOSA-N 0 1 309.413 3.584 20 30 DHEDMN Cc1ccnc(N=NC2C[C@H](C)CN(Cc3ccccc3)C2)c1 ZINC000767386067 1022708312 /nfs/dbraw/zinc/70/83/12/1022708312.db2.gz RDHBBIPWCAKJNF-INIZCTEOSA-N 0 1 308.429 3.700 20 30 DHEDMN C[C@@H](NCc1ccc(OCC#N)cc1)c1cc(F)c(F)c(F)c1 ZINC000180557464 1022763175 /nfs/dbraw/zinc/76/31/75/1022763175.db2.gz VDMZRVOEYLWKMW-LLVKDONJSA-N 0 1 320.314 3.857 20 30 DHEDMN C=CC[N@H+](Cc1ccc(C(=O)OC)cc1)Cc1cccc(C#N)c1 ZINC000068826985 1022767508 /nfs/dbraw/zinc/76/75/08/1022767508.db2.gz SZMGMIAGIALKEH-UHFFFAOYSA-N 0 1 320.392 3.533 20 30 DHEDMN C=CCN(Cc1ccc(C(=O)OC)cc1)Cc1cccc(C#N)c1 ZINC000068826985 1022767523 /nfs/dbraw/zinc/76/75/23/1022767523.db2.gz SZMGMIAGIALKEH-UHFFFAOYSA-N 0 1 320.392 3.533 20 30 DHEDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1cncs1 ZINC000767747367 1022795072 /nfs/dbraw/zinc/79/50/72/1022795072.db2.gz SYUWFJFYUQBJDF-UHFFFAOYSA-N 0 1 316.264 3.516 20 30 DHEDMN COc1cc2c(cc1OC)CN([C@H](C)Cc1ccc(C#N)cc1)C2 ZINC001172313037 1033081311 /nfs/dbraw/zinc/08/13/11/1033081311.db2.gz NYDFRZGZFBKKDA-CQSZACIVSA-N 0 1 322.408 3.522 20 30 DHEDMN C#CCCCCCCN(C)CC(=O)Nc1c(C)cccc1C ZINC000876537042 1033085788 /nfs/dbraw/zinc/08/57/88/1033085788.db2.gz KXFNZUASHXLFGK-UHFFFAOYSA-N 0 1 300.446 3.757 20 30 DHEDMN CC[C@H](C#N)Oc1cccc(CNCc2cc(F)cc(F)c2)c1 ZINC000162513690 1022885921 /nfs/dbraw/zinc/88/59/21/1022885921.db2.gz CYTPZEOYMZASKO-QGZVFWFLSA-N 0 1 316.351 3.936 20 30 DHEDMN CCCC[C@H](C(=O)C(C#N)C(=O)Nc1ccccc1)C(C)C ZINC000857010861 1022920923 /nfs/dbraw/zinc/92/09/23/1022920923.db2.gz YXZZMRADNXRAKR-JKSUJKDBSA-N 0 1 300.402 3.796 20 30 DHEDMN CC(=NNc1cc(C#N)cc(Cl)n1)c1cc(F)ccc1F ZINC000768374966 1022954032 /nfs/dbraw/zinc/95/40/32/1022954032.db2.gz MVSNFYMUVACZIQ-UHFFFAOYSA-N 0 1 306.703 3.721 20 30 DHEDMN N#Cc1cc(Cl)nc(NN=Cc2ccc(Cl)c(F)c2)c1 ZINC000768380223 1022961111 /nfs/dbraw/zinc/96/11/11/1022961111.db2.gz LSNRMQXBEVAZGO-UHFFFAOYSA-N 0 1 309.131 3.845 20 30 DHEDMN CCN(C[C@@H](C)C#N)C[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000876617280 1033106038 /nfs/dbraw/zinc/10/60/38/1033106038.db2.gz JBCOKZFKUWKAQG-JKSUJKDBSA-N 0 1 323.481 3.505 20 30 DHEDMN COC(=O)c1ccccc1CN=Nc1c(F)cccc1Cl ZINC000769827190 1023223601 /nfs/dbraw/zinc/22/36/01/1023223601.db2.gz QXDWYWYYCKAWHN-UHFFFAOYSA-N 0 1 306.724 3.712 20 30 DHEDMN CCCCCCC[C@@H](CC)N[C@@H](C(=O)OC)C1CCOCC1 ZINC001172345597 1033129014 /nfs/dbraw/zinc/12/90/14/1033129014.db2.gz AGYYMLOUNGANQY-IAGOWNOFSA-N 0 1 313.482 3.683 20 30 DHEDMN Cc1cccc2nc([C@H](C#N)C(=O)CCCC(F)(F)F)[nH]c21 ZINC000771286955 1023413964 /nfs/dbraw/zinc/41/39/64/1023413964.db2.gz OLYCURSCPBNGRO-SNVBAGLBSA-N 0 1 309.291 3.780 20 30 DHEDMN CCN(Cc1ccccc1)c1ccc(C=NN[C@H](C)CC#N)cc1 ZINC000771881367 1023480421 /nfs/dbraw/zinc/48/04/21/1023480421.db2.gz SSWHTFPEVYUFAV-QGZVFWFLSA-N 0 1 320.440 3.939 20 30 DHEDMN Fc1ccc(CNCC#Cc2ccccc2)c(C(F)(F)F)c1 ZINC000771963986 1023494877 /nfs/dbraw/zinc/49/48/77/1023494877.db2.gz RRWWBWZIKJFQIL-UHFFFAOYSA-N 0 1 307.290 3.986 20 30 DHEDMN C#CCN1CCC(C(=O)O[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000772110779 1023515012 /nfs/dbraw/zinc/51/50/12/1023515012.db2.gz ULGZELYYQGGCNO-INIZCTEOSA-N 0 1 321.420 3.789 20 30 DHEDMN CCCCCCC[C@H](CC)n1cc(C(=O)OCC)c(CN)n1 ZINC001172358373 1033139894 /nfs/dbraw/zinc/13/98/94/1033139894.db2.gz OKEDTUZOQCUKKJ-AWEZNQCLSA-N 0 1 309.454 3.830 20 30 DHEDMN C#CCN(Cc1[nH]nc2ccccc21)[C@@H]1CCc2ccccc21 ZINC000772596972 1023577437 /nfs/dbraw/zinc/57/74/37/1023577437.db2.gz CVPVSBYIEFWJDQ-HXUWFJFHSA-N 0 1 301.393 3.686 20 30 DHEDMN Cc1cccc2nc([C@@H](C#N)C(=O)C=C3CCSCC3)[nH]c21 ZINC000772666103 1023580938 /nfs/dbraw/zinc/58/09/38/1023580938.db2.gz LFVRMJIKMXKQMK-ZDUSSCGKSA-N 0 1 311.410 3.501 20 30 DHEDMN C=CC[C@H]1CCCN(Cc2nc(-c3ccc(F)cc3)no2)C1 ZINC000661377763 1023583274 /nfs/dbraw/zinc/58/32/74/1023583274.db2.gz UDJONXCSFJPSHO-ZDUSSCGKSA-N 0 1 301.365 3.664 20 30 DHEDMN COc1ccc(C[N@@H+](CCC#N)[C@H]2CCCC[C@@H]2C)cc1OC ZINC000093261732 1023588910 /nfs/dbraw/zinc/58/89/10/1023588910.db2.gz CTOPBFCLPOZZET-RDJZCZTQSA-N 0 1 316.445 3.998 20 30 DHEDMN COc1ccc(CN(CCC#N)[C@H]2CCCC[C@@H]2C)cc1OC ZINC000093261732 1023588917 /nfs/dbraw/zinc/58/89/17/1023588917.db2.gz CTOPBFCLPOZZET-RDJZCZTQSA-N 0 1 316.445 3.998 20 30 DHEDMN CCCC(C)(C)CC(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000786304081 1023677854 /nfs/dbraw/zinc/67/78/54/1023677854.db2.gz NORXRXSCTLGWGO-HNNXBMFYSA-N 0 1 316.401 3.559 20 30 DHEDMN CCCC(C)(C)CC(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC000786311340 1023682789 /nfs/dbraw/zinc/68/27/89/1023682789.db2.gz QZSHICTWYAUATI-CYBMUJFWSA-N 0 1 316.401 3.559 20 30 DHEDMN CCCC(C)(C)CC(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000786316298 1023683870 /nfs/dbraw/zinc/68/38/70/1023683870.db2.gz QWQQZDWIFAVZOA-OAHLLOKOSA-N 0 1 316.401 3.559 20 30 DHEDMN C=CCN(CC(=O)Nc1ccc(OC(F)F)cc1)C(C)(C)C ZINC000661756232 1023730629 /nfs/dbraw/zinc/73/06/29/1023730629.db2.gz GXBXSHGJNJYGTJ-UHFFFAOYSA-N 0 1 312.360 3.513 20 30 DHEDMN CC[C@H](NC(=O)C(C#N)C(=O)[C@H]1CC12CCCC2)c1ccccc1 ZINC000787040656 1023752327 /nfs/dbraw/zinc/75/23/27/1023752327.db2.gz WLCKFYTXBYIYSS-BBWFWOEESA-N 0 1 324.424 3.543 20 30 DHEDMN C#CCN(CC)Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000787127405 1023764380 /nfs/dbraw/zinc/76/43/80/1023764380.db2.gz BOECSENWSLZFSD-UHFFFAOYSA-N 0 1 307.319 3.551 20 30 DHEDMN FC(F)(F)c1ccc(N=NCc2ccc(-c3cc[nH]n3)o2)nc1 ZINC000788408945 1023884204 /nfs/dbraw/zinc/88/42/04/1023884204.db2.gz XWWOVVRYANJQFB-UHFFFAOYSA-N 0 1 321.262 3.530 20 30 DHEDMN C=C(C)CC[N@@H+](CCc1ccc(Cl)cc1Cl)CC(=O)[O-] ZINC000652476583 1023886384 /nfs/dbraw/zinc/88/63/84/1023886384.db2.gz HEVNYGWUIWTBEN-UHFFFAOYSA-N 0 1 316.228 3.889 20 30 DHEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000662086555 1023894043 /nfs/dbraw/zinc/89/40/43/1023894043.db2.gz VIGBCEOMGCWUOY-BETUJISGSA-N 0 1 317.339 3.698 20 30 DHEDMN N#Cc1ccc([C@H](O)CN2CC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000268638926 1024135189 /nfs/dbraw/zinc/13/51/89/1024135189.db2.gz DBHALXADFSDAOV-ZWKOTPCHSA-N 0 1 312.800 3.692 20 30 DHEDMN C#CCN(Cc1ccc(-c2cc[nH]n2)o1)[C@@H]1CCc2ccccc21 ZINC000789725233 1024156201 /nfs/dbraw/zinc/15/62/01/1024156201.db2.gz YEHAXZHFDZFPEC-LJQANCHMSA-N 0 1 317.392 3.792 20 30 DHEDMN C#CCOc1ccc([C@H](C)NCc2cn3cc(C)ccc3n2)cc1 ZINC000268856904 1024180386 /nfs/dbraw/zinc/18/03/86/1024180386.db2.gz ITUSYKUCIMSCRC-INIZCTEOSA-N 0 1 319.408 3.506 20 30 DHEDMN COc1ccc(CN=Nc2ncccc2C)cc1Br ZINC000790187636 1024239223 /nfs/dbraw/zinc/23/92/23/1024239223.db2.gz YOYIGRTXPZFFCT-UHFFFAOYSA-N 0 1 320.190 3.607 20 30 DHEDMN C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC000613900457 1024240539 /nfs/dbraw/zinc/24/05/39/1024240539.db2.gz GABZMYFWCZUEHP-OAHLLOKOSA-N 0 1 324.428 3.715 20 30 DHEDMN C#Cc1ccc(CNCc2cccc(OC)c2OC(C)C)cc1 ZINC000883132572 1024253561 /nfs/dbraw/zinc/25/35/61/1024253561.db2.gz WNWHBAHXKPWGGS-UHFFFAOYSA-N 0 1 309.409 3.754 20 30 DHEDMN C=CCCC[C@H](NC(=O)NCc1cn[nH]c1C)c1ccccc1 ZINC000883138669 1024257032 /nfs/dbraw/zinc/25/70/32/1024257032.db2.gz LNMNZXNCBBYTKB-KRWDZBQOSA-N 0 1 312.417 3.615 20 30 DHEDMN C=CCC[C@@H](NCc1cscn1)[C@H]1Cc2ccccc2O1 ZINC000883183190 1024270969 /nfs/dbraw/zinc/27/09/69/1024270969.db2.gz VGQZVFPMCFAHCX-NVXWUHKLSA-N 0 1 300.427 3.571 20 30 DHEDMN CC(=NNc1nccn1C)c1ccc2c(c1)Cc1ccccc1-2 ZINC000790299655 1024275046 /nfs/dbraw/zinc/27/50/46/1024275046.db2.gz HNYMCVNLHZWDCG-UHFFFAOYSA-N 0 1 302.381 3.827 20 30 DHEDMN COc1ccc(C2CC2)cc1CNCc1ccc(C#N)c(OC)c1 ZINC000883258382 1024328123 /nfs/dbraw/zinc/32/81/23/1024328123.db2.gz YXGAOBYVRUENKC-UHFFFAOYSA-N 0 1 322.408 3.743 20 30 DHEDMN COc1cccc(C[C@H]2CCCN2Cc2cc(F)ccc2C#N)c1 ZINC000531834906 1024367836 /nfs/dbraw/zinc/36/78/36/1024367836.db2.gz PHYSJPZHGWBCSM-LJQANCHMSA-N 0 1 324.399 3.913 20 30 DHEDMN C#CC[C@@H](NCc1cnc([C@H]2CCCO2)s1)c1ccccc1 ZINC000270246091 1024369862 /nfs/dbraw/zinc/36/98/62/1024369862.db2.gz SYNALRMDUJTOIF-IAGOWNOFSA-N 0 1 312.438 3.849 20 30 DHEDMN C=C(C)C[C@@H](CO)N[C@@H](C)c1csc(-c2ccccc2)n1 ZINC000883392089 1024425747 /nfs/dbraw/zinc/42/57/47/1024425747.db2.gz ACMPVYOENYDZJL-ZFWWWQNUSA-N 0 1 302.443 3.788 20 30 DHEDMN CCCC[C@H](ON=C(C)C)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000791051152 1024434187 /nfs/dbraw/zinc/43/41/87/1024434187.db2.gz BXRZDXPBSZDQLJ-INIZCTEOSA-N 0 1 316.405 3.781 20 30 DHEDMN Cc1cccc(NC(=O)C(C#N)C(=O)C2CCC(C)(C)CC2)c1 ZINC000131985115 1024445526 /nfs/dbraw/zinc/44/55/26/1024445526.db2.gz AVHVEPHXELTJKZ-MRXNPFEDSA-N 0 1 312.413 3.859 20 30 DHEDMN Cc1c([C@H](C)NCc2ccc(C#N)c(F)c2)cnn1C(C)(C)C ZINC000453384573 1024485143 /nfs/dbraw/zinc/48/51/43/1024485143.db2.gz NLDJUTFPNGUDHT-LBPRGKRZSA-N 0 1 314.408 3.808 20 30 DHEDMN CN(C)c1ccc(C#N)cc1CNc1cc2c(cn1)CCCC2 ZINC001202561673 1024558912 /nfs/dbraw/zinc/55/89/12/1024558912.db2.gz XSOMXEZECOWSFN-UHFFFAOYSA-N 0 1 306.413 3.510 20 30 DHEDMN N#CC(C(=O)c1ccnn1C1CCCC1)c1nc2ccccc2o1 ZINC000532230266 1024583384 /nfs/dbraw/zinc/58/33/84/1024583384.db2.gz RXYFFLODVVVMTG-CYBMUJFWSA-N 0 1 320.352 3.629 20 30 DHEDMN Cc1sc(NC(=O)CN2C[C@H](C)C[C@H](C)[C@@H]2C)c(C#N)c1C ZINC000475745343 1024698434 /nfs/dbraw/zinc/69/84/34/1024698434.db2.gz VDOCCRUNNCTRAR-MDZLAQPJSA-N 0 1 319.474 3.542 20 30 DHEDMN C=CCCCNCc1csc(COc2ccc(OC)cc2)n1 ZINC000279060719 1024709803 /nfs/dbraw/zinc/70/98/03/1024709803.db2.gz FDSIQPSZROMKHC-UHFFFAOYSA-N 0 1 318.442 3.787 20 30 DHEDMN C[C@H](Cc1ccccc1Cl)N1CCC2SC(=O)C=C2C1 ZINC001170277288 1024733238 /nfs/dbraw/zinc/73/32/38/1024733238.db2.gz RVVBPPXIXSJHMK-IAQYHMDHSA-N 0 1 307.846 3.545 20 30 DHEDMN O=C1c2cccc(Cl)c2C/C1=C/c1cc(O)ccc1[N+](=O)[O-] ZINC000772808678 1024735769 /nfs/dbraw/zinc/73/57/69/1024735769.db2.gz VVEYPVUVTYKDBO-POHAHGRESA-N 0 1 315.712 3.776 20 30 DHEDMN Cc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)c(C)c1 ZINC000127522826 1024753524 /nfs/dbraw/zinc/75/35/24/1024753524.db2.gz MGQHWJFOTRLYTM-JKSUJKDBSA-N 0 1 321.424 3.853 20 30 DHEDMN Cc1cc(C#N)ccc1CN1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792905714 1024831322 /nfs/dbraw/zinc/83/13/22/1024831322.db2.gz QYWQUKMSLWOYII-LSDHHAIUSA-N 0 1 309.240 3.882 20 30 DHEDMN O=[N+]([O-])c1ccc(CN=Nc2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000783773934 1024888872 /nfs/dbraw/zinc/88/88/72/1024888872.db2.gz UTPVHCDDSLVBPS-UHFFFAOYSA-N 0 1 320.692 3.602 20 30 DHEDMN FC(F)(F)c1cccnc1CN=Nc1cccc(Cl)n1 ZINC000793163018 1024907447 /nfs/dbraw/zinc/90/74/47/1024907447.db2.gz VECJPDZCJWOCEA-UHFFFAOYSA-N 0 1 300.671 3.595 20 30 DHEDMN C=CCc1cc(C=NNc2cccc(Cl)n2)cc(OC)c1O ZINC000793174654 1024922393 /nfs/dbraw/zinc/92/23/93/1024922393.db2.gz KIUGNTKABNRVTL-UHFFFAOYSA-N 0 1 317.776 3.624 20 30 DHEDMN N#Cc1ccc2c(c1)[C@H](NCc1ccc(OCC3CC3)nc1)CC2 ZINC000353401697 1025053778 /nfs/dbraw/zinc/05/37/78/1025053778.db2.gz PLEDJOTUKZMFHC-LJQANCHMSA-N 0 1 319.408 3.519 20 30 DHEDMN CCCOc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cn1 ZINC000353406838 1025059416 /nfs/dbraw/zinc/05/94/16/1025059416.db2.gz AQLIBQSLJJXIFV-SFHVURJKSA-N 0 1 307.397 3.519 20 30 DHEDMN COc1cc(CN[C@@H]2CCc3c2c(F)ccc3F)ccc1C#N ZINC000353629601 1025161533 /nfs/dbraw/zinc/16/15/33/1025161533.db2.gz ZBTDQQSYWWGHFO-MRXNPFEDSA-N 0 1 314.335 3.622 20 30 DHEDMN COc1cc(CN[C@@H]2CC(C)(C)Cc3occc32)ccc1C#N ZINC000353633382 1025166260 /nfs/dbraw/zinc/16/62/60/1025166260.db2.gz XEZYQBNVYHSOAW-MRXNPFEDSA-N 0 1 310.397 3.963 20 30 DHEDMN CCN(Cc1cc(C(=O)OC)co1)[C@H](C)c1ccc(C#N)cc1 ZINC000171032858 1025285305 /nfs/dbraw/zinc/28/53/05/1025285305.db2.gz NCQBAMHYAPHPPP-CYBMUJFWSA-N 0 1 312.369 3.521 20 30 DHEDMN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)[C@H]1CC1(C)C ZINC000126098232 1025376724 /nfs/dbraw/zinc/37/67/24/1025376724.db2.gz RVWWWJCLVAGHOI-HUUCEWRRSA-N 0 1 312.413 3.505 20 30 DHEDMN N#C[C@H](C(=O)c1csc(Cc2ccccc2)n1)c1ccccn1 ZINC000041480323 1025405873 /nfs/dbraw/zinc/40/58/73/1025405873.db2.gz MFMNBQVJVSCPOY-AWEZNQCLSA-N 0 1 319.389 3.619 20 30 DHEDMN N#CC(C(=O)c1csc(Cc2ccccc2)n1)c1ccccn1 ZINC000041480323 1025405882 /nfs/dbraw/zinc/40/58/82/1025405882.db2.gz MFMNBQVJVSCPOY-AWEZNQCLSA-N 0 1 319.389 3.619 20 30 DHEDMN CC(C)c1cc(C(=O)C(C#N)c2ccncn2)c2ccccc2n1 ZINC000354394855 1025418745 /nfs/dbraw/zinc/41/87/45/1025418745.db2.gz DFCGJJKIIFZGEE-HNNXBMFYSA-N 0 1 316.364 3.638 20 30 DHEDMN CC(C)c1cc(C(=O)[C@@H](C#N)c2ccncn2)c2ccccc2n1 ZINC000354394855 1025418760 /nfs/dbraw/zinc/41/87/60/1025418760.db2.gz DFCGJJKIIFZGEE-HNNXBMFYSA-N 0 1 316.364 3.638 20 30 DHEDMN N#CCOc1ccc(CN2CCSC[C@@H]2c2ccccc2)cc1 ZINC000265180453 1033281900 /nfs/dbraw/zinc/28/19/00/1033281900.db2.gz DQFZOFVYXTURFX-LJQANCHMSA-N 0 1 324.449 3.879 20 30 DHEDMN N#C[C@H](C(=O)c1cc2c(s1)CCCCCC2)c1ccncn1 ZINC000354460033 1025435975 /nfs/dbraw/zinc/43/59/75/1025435975.db2.gz FIIAYWBWJTUHEZ-ZDUSSCGKSA-N 0 1 311.410 3.687 20 30 DHEDMN N#CC(C(=O)c1cc2c(s1)CCCCCC2)c1ccncn1 ZINC000354460033 1025435981 /nfs/dbraw/zinc/43/59/81/1025435981.db2.gz FIIAYWBWJTUHEZ-ZDUSSCGKSA-N 0 1 311.410 3.687 20 30 DHEDMN C[N@@H+](Cc1cccc(C#N)c1)Cc1ccccc1OC(F)F ZINC000125236053 1025461707 /nfs/dbraw/zinc/46/17/07/1025461707.db2.gz GRNSHMNRQXUSIA-UHFFFAOYSA-N 0 1 302.324 3.792 20 30 DHEDMN CN(Cc1cccc(C#N)c1)Cc1ccccc1OC(F)F ZINC000125236053 1025461718 /nfs/dbraw/zinc/46/17/18/1025461718.db2.gz GRNSHMNRQXUSIA-UHFFFAOYSA-N 0 1 302.324 3.792 20 30 DHEDMN COc1cc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)ccc1F ZINC000126040878 1025499742 /nfs/dbraw/zinc/49/97/42/1025499742.db2.gz NRHVMPHMAJGECJ-LLVKDONJSA-N 0 1 318.373 3.904 20 30 DHEDMN COc1cc(C(=O)C(C#N)c2nc(C(C)C)cs2)ccc1F ZINC000126040878 1025499754 /nfs/dbraw/zinc/49/97/54/1025499754.db2.gz NRHVMPHMAJGECJ-LLVKDONJSA-N 0 1 318.373 3.904 20 30 DHEDMN C=CCC[C@@H](O)C[N@H+](C)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000127020475 1025529084 /nfs/dbraw/zinc/52/90/84/1025529084.db2.gz RETFJANLLAZVKU-MOPGFXCFSA-N 0 1 314.404 3.569 20 30 DHEDMN C=CCC[C@@H](O)CN(C)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000127020475 1025529089 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ZINC000886616191 1025741144 /nfs/dbraw/zinc/74/11/44/1025741144.db2.gz WPICEPULFNCAPF-FUHWJXTLSA-N 0 1 311.429 3.721 20 30 DHEDMN CC(C)CCN(CCC#N)CCC(=O)Nc1ccccc1Cl ZINC000072691824 1025764051 /nfs/dbraw/zinc/76/40/51/1025764051.db2.gz JFZHXCAQHRUPMJ-UHFFFAOYSA-N 0 1 321.852 3.930 20 30 DHEDMN COc1cccc([C@H]2CCCN2Cc2ccc(C#N)cc2OC)c1 ZINC000120469527 1025894596 /nfs/dbraw/zinc/89/45/96/1025894596.db2.gz RHSDVIHUZHQDLR-LJQANCHMSA-N 0 1 322.408 3.913 20 30 DHEDMN C=C1CCN(Cc2ccc(OCC(F)(F)F)c(OC)c2)CC1 ZINC000353327647 1026074399 /nfs/dbraw/zinc/07/43/99/1026074399.db2.gz DXXIUUSVJALFBE-UHFFFAOYSA-N 0 1 315.335 3.788 20 30 DHEDMN CC(C)n1cc(CN=Nc2c(Cl)cc(F)cc2Cl)nn1 ZINC000807980128 1026161256 /nfs/dbraw/zinc/16/12/56/1026161256.db2.gz NVFDUAWLQMWTBK-UHFFFAOYSA-N 0 1 316.167 3.751 20 30 DHEDMN Fc1ccc(F)c2c1CCC2=NNc1nccnc1C1CCC1 ZINC000807991331 1026166748 /nfs/dbraw/zinc/16/67/48/1026166748.db2.gz LPNKDGCXHXRTON-UHFFFAOYSA-N 0 1 314.339 3.785 20 30 DHEDMN 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C=CCN1CC[C@@H](N(C)Cc2ccc(C3CCCC3)cc2)C1=O ZINC000564253369 1028383065 /nfs/dbraw/zinc/38/30/65/1028383065.db2.gz YYHOVIJVUUNYQK-LJQANCHMSA-N 0 1 312.457 3.563 20 30 DHEDMN COc1ccc([C@H](NCCCC#N)c2ccc3c(c2)CCO3)cc1 ZINC000368774524 1028405331 /nfs/dbraw/zinc/40/53/31/1028405331.db2.gz HYVWFPVXYLDCAD-FQEVSTJZSA-N 0 1 322.408 3.613 20 30 DHEDMN C=CCC(F)(F)C(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000815571253 1028567042 /nfs/dbraw/zinc/56/70/42/1028567042.db2.gz YUZRBDMQEFUAOA-MRVPVSSYSA-N 0 1 313.735 3.605 20 30 DHEDMN CC[C@H](COC)N[C@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000370661725 1028631861 /nfs/dbraw/zinc/63/18/61/1028631861.db2.gz HIGVKQPJWYHMAL-IUODEOHRSA-N 0 1 315.442 3.757 20 30 DHEDMN COc1cc(C#N)ccc1CN[C@@H](c1ccccn1)C1CCC1 ZINC000528662614 1028639081 /nfs/dbraw/zinc/63/90/81/1028639081.db2.gz WURBKCQSSIVLPK-LJQANCHMSA-N 0 1 307.397 3.593 20 30 DHEDMN N#Cc1ccc(O)c(NC(=O)C2CC(c3ccc(F)cc3)C2)c1 ZINC000815878163 1028639829 /nfs/dbraw/zinc/63/98/29/1028639829.db2.gz 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DHEDMN C(#Cc1ccccc1)CN1CCC[C@@]2(C1)OCc1ccccc12 ZINC000483699519 1035291405 /nfs/dbraw/zinc/29/14/05/1035291405.db2.gz MMIMLBLOHWKGSO-NRFANRHFSA-N 0 1 303.405 3.560 20 30 DHEDMN CN(Cc1cc(C#N)cs1)Cc1ccc(F)c2cccnc12 ZINC001176554259 1035294497 /nfs/dbraw/zinc/29/44/97/1035294497.db2.gz BYMMUVQEQLGAPN-UHFFFAOYSA-N 0 1 311.385 3.939 20 30 DHEDMN Cc1ccc2c(c1)C(N=Nc1cncc(Br)c1)CC2 ZINC000758123145 1035313553 /nfs/dbraw/zinc/31/35/53/1035313553.db2.gz SMPRVYROEQVGQB-UHFFFAOYSA-N 0 1 316.202 3.915 20 30 DHEDMN N#Cc1ccc(CNCc2cc(Cl)cc(Cl)c2N)cc1F ZINC001206293976 1035350717 /nfs/dbraw/zinc/35/07/17/1035350717.db2.gz UGDXBFPTRIOGQB-UHFFFAOYSA-N 0 1 324.186 3.876 20 30 DHEDMN CC#CCN[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000484545681 1035359544 /nfs/dbraw/zinc/35/95/44/1035359544.db2.gz WKRGUKZOILOAGO-GOSISDBHSA-N 0 1 307.372 3.530 20 30 DHEDMN Cc1ccc([C@@H]2CCCN2CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000484613766 1035374061 /nfs/dbraw/zinc/37/40/61/1035374061.db2.gz BRZGDQJMHUTXBO-IBGZPJMESA-N 0 1 319.408 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HIXVWDUVEKKQDX-UHFFFAOYSA-N 0 1 322.265 3.955 20 30 DHEDMN Fc1ccc(CN=Nc2ccc(C(F)(F)F)cn2)cc1F ZINC000915917939 1037605145 /nfs/dbraw/zinc/60/51/45/1037605145.db2.gz WBKHKQJQQSLGRG-UHFFFAOYSA-N 0 1 301.218 3.825 20 30 DHEDMN Cc1ccc(C(C)N=Nc2nc3cc(F)c(F)cc3[nH]2)c(O)c1 ZINC000912822313 1037605807 /nfs/dbraw/zinc/60/58/07/1037605807.db2.gz DGTPFMYSEOZTAI-UHFFFAOYSA-N 0 1 316.311 3.691 20 30 DHEDMN CC(C)Oc1ccc(CN=Nc2nc3ccccc3n2C)cc1 ZINC000915967720 1037619664 /nfs/dbraw/zinc/61/96/64/1037619664.db2.gz MRNPUKNZTOMULS-UHFFFAOYSA-N 0 1 308.385 3.807 20 30 DHEDMN Cc1cc(C=NN=c2[nH]c3ccccc3n2C)c(C)n1C1CC1 ZINC000915971114 1037623743 /nfs/dbraw/zinc/62/37/43/1037623743.db2.gz FFDOWVVNYQXNRT-UHFFFAOYSA-N 0 1 307.401 3.773 20 30 DHEDMN Cc1cc(C=[NH+][N-]c2nc3ccccc3n2C)c(C)n1C1CC1 ZINC000915971114 1037623747 /nfs/dbraw/zinc/62/37/47/1037623747.db2.gz FFDOWVVNYQXNRT-UHFFFAOYSA-N 0 1 307.401 3.773 20 30 DHEDMN Clc1ccc(CN=Nc2ccccn2)cc1Br ZINC000776178892 1037681680 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DHEDMN O/C(=N/Cc1cn2ccsc2n1)c1coc(C2CCCC2)n1 ZINC000328699481 334749619 /nfs/dbraw/zinc/74/96/19/334749619.db2.gz MGRWWDGYHYMCFB-UHFFFAOYSA-N 0 1 316.386 3.546 20 30 DHEDMN C[C@H](C[C@@H]1CCCO1)NC(=O)c1c(O)cc(Cl)cc1Cl ZINC000331249113 334851090 /nfs/dbraw/zinc/85/10/90/334851090.db2.gz XLFIGQQHIXWGSN-SCZZXKLOSA-N 0 1 318.200 3.961 20 30 DHEDMN CCOc1ccccc1CN(C)CCOCc1ccc(C#N)cc1 ZINC000344122572 335219366 /nfs/dbraw/zinc/21/93/66/335219366.db2.gz UCLOIERKAAVCBH-UHFFFAOYSA-N 0 1 324.424 3.606 20 30 DHEDMN CC(C)(CCC#N)CN[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000348215467 335562101 /nfs/dbraw/zinc/56/21/01/335562101.db2.gz NFFGCCDVFZCTSI-OAHLLOKOSA-N 0 1 300.381 3.558 20 30 DHEDMN CC[C@H](CC#N)N[C@H](C)Cc1ccc(F)cc1Br ZINC000348252392 335567684 /nfs/dbraw/zinc/56/76/84/335567684.db2.gz ABOWOWUJXVNVJR-ZWNOBZJWSA-N 0 1 313.214 3.801 20 30 DHEDMN Cc1cc(NC(=O)c2ccc(C#N)c(O)c2)ccc1C(F)(F)F ZINC000191109857 335597683 /nfs/dbraw/zinc/59/76/83/335597683.db2.gz BXQFIRGMWAAUNQ-UHFFFAOYSA-N 0 1 320.270 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337014239 /nfs/dbraw/zinc/01/42/39/337014239.db2.gz BNLYCQDTWJGOJU-UHFFFAOYSA-N 0 1 324.371 3.812 20 30 DHEDMN COC(=O)[C@@H]1C[C@@H](N[C@H](C)c2cccc(C#N)c2)c2ccccc21 ZINC000376837575 337042473 /nfs/dbraw/zinc/04/24/73/337042473.db2.gz WWDLZGGAAODHHK-UPRAQXHNSA-N 0 1 320.392 3.610 20 30 DHEDMN C=CCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000376878894 337043113 /nfs/dbraw/zinc/04/31/13/337043113.db2.gz YLUFDXJGQMDMHC-QWHCGFSZSA-N 0 1 317.820 3.792 20 30 DHEDMN CC(=Cc1ccc(C(F)(F)F)cc1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193615131 337078527 /nfs/dbraw/zinc/07/85/27/337078527.db2.gz YMEKSCZNXXNJCQ-CLFYSBASSA-N 0 1 319.286 3.529 20 30 DHEDMN Cc1cnc([C@@H]2CCCN(Cc3ccc(C#N)s3)C2)s1 ZINC000360077744 337085168 /nfs/dbraw/zinc/08/51/68/337085168.db2.gz UGAHQSPQGXEENF-GFCCVEGCSA-N 0 1 303.456 3.764 20 30 DHEDMN CCCN(CCC)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174817326 337143723 /nfs/dbraw/zinc/14/37/23/337143723.db2.gz VHVNCHFYXVFJFV-UHFFFAOYSA-N 0 1 311.429 3.860 20 30 DHEDMN C=CCCCC(=O)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000175493969 337145744 /nfs/dbraw/zinc/14/57/44/337145744.db2.gz OAKROBSDSJCHFY-HNNXBMFYSA-N 0 1 311.429 3.934 20 30 DHEDMN Cc1nccn1-c1ccc([C@H](C)NCc2ccccc2C#N)cc1 ZINC000179095419 337167171 /nfs/dbraw/zinc/16/71/71/337167171.db2.gz QCQWMZQRNIMUTG-HNNXBMFYSA-N 0 1 316.408 3.903 20 30 DHEDMN C=C(Br)CN[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179771006 337171355 /nfs/dbraw/zinc/17/13/55/337171355.db2.gz FOHOXZYTINDWMT-LLVKDONJSA-N 0 1 323.234 3.594 20 30 DHEDMN C=C(C)CN(C)[C@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000181272237 337180761 /nfs/dbraw/zinc/18/07/61/337180761.db2.gz TZHYJSQXQHJLJK-ZIAGYGMSSA-N 0 1 300.402 3.506 20 30 DHEDMN C=C(C)CN(C)[C@@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000181272267 337180800 /nfs/dbraw/zinc/18/08/00/337180800.db2.gz TZHYJSQXQHJLJK-KGLIPLIRSA-N 0 1 300.402 3.506 20 30 DHEDMN CC(C)N(Cc1ccc(C#N)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000063751231 337288975 /nfs/dbraw/zinc/28/89/75/337288975.db2.gz HCCQUVBDGVYWAV-UHFFFAOYSA-N 0 1 309.369 3.877 20 30 DHEDMN C=CCN(CCOC)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000191105275 337293976 /nfs/dbraw/zinc/29/39/76/337293976.db2.gz WPWNHJYNVHSZKL-UHFFFAOYSA-N 0 1 324.424 3.573 20 30 DHEDMN C=CCC1(C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)CCC1 ZINC000191868925 337301798 /nfs/dbraw/zinc/30/17/98/337301798.db2.gz YFHUHICTYSTYHD-UHFFFAOYSA-N 0 1 316.792 3.810 20 30 DHEDMN Cc1nc(-c2ccccc2)ccc1C(=O)C(C#N)c1ccccn1 ZINC000193254326 337309557 /nfs/dbraw/zinc/30/95/57/337309557.db2.gz KFRJJQDGJJNIMJ-QGZVFWFLSA-N 0 1 313.360 3.942 20 30 DHEDMN Cc1ccc([C@H](C)N(C)CC(=O)Nc2cccc(C#N)c2)c(C)c1 ZINC000532929992 337393472 /nfs/dbraw/zinc/39/34/72/337393472.db2.gz CMKVOGAUCDWTHW-INIZCTEOSA-N 0 1 321.424 3.807 20 30 DHEDMN C[C@H]1C[C@H](C)CN(CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000070738678 337546648 /nfs/dbraw/zinc/54/66/48/337546648.db2.gz DOUDGYBGPTXGGI-HOTGVXAUSA-N 0 1 323.440 3.716 20 30 DHEDMN C=CCC(CC=C)C(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000268222281 337635064 /nfs/dbraw/zinc/63/50/64/337635064.db2.gz 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C[C@H]1CCN(C(=O)c2ccc(C#N)c(O)c2)c2ccccc2S1 ZINC000527195390 1018534675 /nfs/dbraw/zinc/53/46/75/1018534675.db2.gz YFDVQJFHUZEXJL-LBPRGKRZSA-N 0 1 324.405 3.795 20 30 DHEDMN Cc1cc2ncc([C@@H](C)N[C@@H](C)c3cccc(C#N)c3)c(C)n2n1 ZINC000091731430 1018591436 /nfs/dbraw/zinc/59/14/36/1018591436.db2.gz ZYSDBTAJABLODQ-UONOGXRCSA-N 0 1 319.412 3.630 20 30 DHEDMN CC[C@H](C#N)Oc1cccc(CNCc2sccc2OC)c1 ZINC000765246824 1018727919 /nfs/dbraw/zinc/72/79/19/1018727919.db2.gz WZPHZCWZXRRWBY-CQSZACIVSA-N 0 1 316.426 3.727 20 30 DHEDMN Cc1nn(C(C)(C)C)c(C)c1C=NNc1ccccc1[N+](=O)[O-] ZINC000755466123 1018731431 /nfs/dbraw/zinc/73/14/31/1018731431.db2.gz VNVZUNWQVIBDGX-UHFFFAOYSA-N 0 1 315.377 3.609 20 30 DHEDMN COc1ccc(CN[C@@H](CC(C)C)c2ccccn2)cc1C#N ZINC000765259694 1018732096 /nfs/dbraw/zinc/73/20/96/1018732096.db2.gz FAGYRDRLKPEDMZ-SFHVURJKSA-N 0 1 309.413 3.839 20 30 DHEDMN CCC[N@@H+](CCC#N)[C@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168661679 1018756692 /nfs/dbraw/zinc/75/66/92/1018756692.db2.gz 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CC(=NNC1CCCC1)c1ccc([O-])c(C[NH+]2CCCCC2)c1 ZINC000727652326 1019747033 /nfs/dbraw/zinc/74/70/33/1019747033.db2.gz NHCUFVSRZDQOII-UHFFFAOYSA-N 0 1 315.461 3.634 20 30 DHEDMN CC[C@H](C)N(C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000068449815 1019899033 /nfs/dbraw/zinc/89/90/33/1019899033.db2.gz PIODZNJNYKFALU-LBPRGKRZSA-N 0 1 319.474 3.557 20 30 DHEDMN CC(C)(NCc1nccc2c1CCCC2)c1cccc(C#N)c1 ZINC000922239460 1019915449 /nfs/dbraw/zinc/91/54/49/1019915449.db2.gz RGTRXHZZIHDSCA-UHFFFAOYSA-N 0 1 305.425 3.857 20 30 DHEDMN C=C(C)CNC(=S)Nc1ccccc1SC[C@H](C)C#N ZINC000730954983 1020046380 /nfs/dbraw/zinc/04/63/80/1020046380.db2.gz QREJGFSYAILVRO-GFCCVEGCSA-N 0 1 305.472 3.801 20 30 DHEDMN C#CCOc1ccc2ccccc2c1C=NNc1ccc(F)cn1 ZINC000731317709 1020094898 /nfs/dbraw/zinc/09/48/98/1020094898.db2.gz DILKJMMDEUGKQP-UHFFFAOYSA-N 0 1 319.339 3.832 20 30 DHEDMN Fc1ccc(NN=Cc2cccc(OCC(F)(F)F)c2)nc1 ZINC000731317780 1020095330 /nfs/dbraw/zinc/09/53/30/1020095330.db2.gz CHEIPRKZWJJFLA-UHFFFAOYSA-N 0 1 313.254 3.608 20 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0 1 310.397 3.598 20 30 DHEDMN CCN(Cc1ccc(OC)cc1)Cc1cc(C#N)ccc1OC ZINC000156213988 1020329338 /nfs/dbraw/zinc/32/93/38/1020329338.db2.gz JVEFNWLNFFEBFD-UHFFFAOYSA-N 0 1 310.397 3.598 20 30 DHEDMN C#CCOc1ccc(CN[C@@H](C)c2cc(F)ccc2F)cc1 ZINC000733324143 1020370073 /nfs/dbraw/zinc/37/00/73/1020370073.db2.gz JQHSDRPDFJJCMY-ZDUSSCGKSA-N 0 1 301.336 3.828 20 30 DHEDMN Cc1cc(CNCc2ccc(C#N)cc2F)cc2cccnc12 ZINC000612181068 1020383984 /nfs/dbraw/zinc/38/39/84/1020383984.db2.gz BUVPZUBULYBAAZ-UHFFFAOYSA-N 0 1 305.356 3.844 20 30 DHEDMN N#Cc1ccc(CN2CCCCC[C@H]2C[C@H](O)c2ccco2)o1 ZINC000091963147 1020404626 /nfs/dbraw/zinc/40/46/26/1020404626.db2.gz WQVFLHGVHRBXPH-YOEHRIQHSA-N 0 1 314.385 3.613 20 30 DHEDMN N#Cc1ccc(O)c(NC(=O)/C=C/c2ccc(Cl)s2)c1 ZINC000179733534 1020435870 /nfs/dbraw/zinc/43/58/70/1020435870.db2.gz YJILGLPWKAMPAD-ZZXKWVIFSA-N 0 1 304.758 3.631 20 30 DHEDMN N#Cc1ccc(O)c(NC(=O)/C=C/c2nc3ccccc3s2)c1 ZINC000179738357 1020436576 /nfs/dbraw/zinc/43/65/76/1020436576.db2.gz ICMHQNSNXASWPF-BQYQJAHWSA-N 0 1 321.361 3.525 20 30 DHEDMN FC(F)Oc1cccc(CN=Nc2cnnc3ccccc23)c1 ZINC000733748354 1020437751 /nfs/dbraw/zinc/43/77/51/1020437751.db2.gz SILQBNANITWKFL-UHFFFAOYSA-N 0 1 314.295 3.677 20 30 DHEDMN Cc1csc(C(C#N)C(=O)C=Cc2ccc3ccccc3n2)n1 ZINC000177135242 1020459436 /nfs/dbraw/zinc/45/94/36/1020459436.db2.gz DDMFJSCZMYAHDV-HVHJFMEUSA-N 0 1 319.389 3.889 20 30 DHEDMN N#Cc1ccccc1CN1CCC[C@H](n2cnc3ccccc32)C1 ZINC000364519506 1020464054 /nfs/dbraw/zinc/46/40/54/1020464054.db2.gz LHESJHZRDQTDAO-SFHVURJKSA-N 0 1 316.408 3.745 20 30 DHEDMN C#CCOc1ccccc1C=NNc1cc(F)c(F)cc1F ZINC000734302591 1020583188 /nfs/dbraw/zinc/58/31/88/1020583188.db2.gz HAIIDSTZCAJLIC-UHFFFAOYSA-N 0 1 304.271 3.562 20 30 DHEDMN COc1ccc2oc([C@H](C)NCc3ccnc(C#N)c3)c(C)c2c1 ZINC000612512632 1020599334 /nfs/dbraw/zinc/59/93/34/1020599334.db2.gz IASYUZXDTIXWQX-ZDUSSCGKSA-N 0 1 321.380 3.867 20 30 DHEDMN COc1ccc2nc(SCc3ccc(C#N)c(F)c3)[nH]c2c1 ZINC000404738138 1020599536 /nfs/dbraw/zinc/59/95/36/1020599536.db2.gz GIDDOKKTIFSCBU-UHFFFAOYSA-N 0 1 313.357 3.875 20 30 DHEDMN C#CCOc1ccccc1CNCc1cnc(-c2ccco2)s1 ZINC000785471982 1020608188 /nfs/dbraw/zinc/60/81/88/1020608188.db2.gz YZLFBJTXLVODKT-UHFFFAOYSA-N 0 1 324.405 3.705 20 30 DHEDMN C=CCN(Cc1ccc(OC)cc1)Cc1ccccc1N(C)C ZINC000303853469 1020608705 /nfs/dbraw/zinc/60/87/05/1020608705.db2.gz LBDYHRCTTNXFRD-UHFFFAOYSA-N 0 1 310.441 3.949 20 30 DHEDMN C[C@@H](NCC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1 ZINC000003566660 1020610375 /nfs/dbraw/zinc/61/03/75/1020610375.db2.gz YFRQHTWPHUUJGS-GFCCVEGCSA-N 0 1 313.788 3.501 20 30 DHEDMN CC(C)(C#N)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000612584824 1020632126 /nfs/dbraw/zinc/63/21/26/1020632126.db2.gz BLAUNOHHLICIKL-UHFFFAOYSA-N 0 1 315.398 3.963 20 30 DHEDMN Cc1cc(NC(=O)c2ccc(C#N)c(O)c2)c2cccnc2c1C ZINC000188589156 1020655883 /nfs/dbraw/zinc/65/58/83/1020655883.db2.gz AJNUZTPJZQWCGI-UHFFFAOYSA-N 0 1 317.348 3.681 20 30 DHEDMN CCN(CCCCC1(C#N)CCC1)[C@H](C)C(=O)OC(C)(C)C ZINC001171920356 1032919988 /nfs/dbraw/zinc/91/99/88/1032919988.db2.gz DJSSNOVKXJOBOJ-OAHLLOKOSA-N 0 1 308.466 3.903 20 30 DHEDMN Cc1cccc2nc([C@H](C#N)C(=O)C=Cc3ccccc3)[nH]c21 ZINC000735790933 1020766911 /nfs/dbraw/zinc/76/69/11/1020766911.db2.gz SLNRKIKUWRAEFM-JQPIKURYSA-N 0 1 301.349 3.761 20 30 DHEDMN Cc1ccc(C)c(CC(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)c1 ZINC000735792100 1020768699 /nfs/dbraw/zinc/76/86/99/1020768699.db2.gz HMGNUBWUYHTOJG-MRXNPFEDSA-N 0 1 317.392 3.907 20 30 DHEDMN Cc1cccc2nc([C@@H](C#N)C(=O)C=Cc3ccsc3)[nH]c21 ZINC000735791986 1020769708 /nfs/dbraw/zinc/76/97/08/1020769708.db2.gz FQHKNHHDSPQAEG-GFUIURDCSA-N 0 1 307.378 3.823 20 30 DHEDMN C=CCCC(=O)OC[C@@H]1CCCN(Cc2cc(F)ccc2F)C1 ZINC000735888857 1020774972 /nfs/dbraw/zinc/77/49/72/1020774972.db2.gz JSCKRUAZLOZLDJ-CQSZACIVSA-N 0 1 323.383 3.686 20 30 DHEDMN C=CCN(Cc1ccccc1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000735920103 1020780396 /nfs/dbraw/zinc/78/03/96/1020780396.db2.gz NQHDJOLYFYOQIK-IBGZPJMESA-N 0 1 322.408 3.700 20 30 DHEDMN N#Cc1ccc2c(c1)[C@@H](NCc1cc(Cl)cc3c1OCC3)CC2 ZINC000580955451 1020867949 /nfs/dbraw/zinc/86/79/49/1020867949.db2.gz BTVKPHHBVBFXHW-SFHVURJKSA-N 0 1 324.811 3.924 20 30 DHEDMN CC(C)(C)CCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000739144691 1020900562 /nfs/dbraw/zinc/90/05/62/1020900562.db2.gz UMTDZSMSYMYODH-CYBMUJFWSA-N 0 1 306.793 3.814 20 30 DHEDMN CC(C)(C)CCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000739153957 1020902391 /nfs/dbraw/zinc/90/23/91/1020902391.db2.gz GTXYCDBZHKWOOP-LLVKDONJSA-N 0 1 306.793 3.814 20 30 DHEDMN CC(C)CCSCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000066516450 1020903826 /nfs/dbraw/zinc/90/38/26/1020903826.db2.gz NSMQOBLKMXNSNA-GFCCVEGCSA-N 0 1 302.399 3.783 20 30 DHEDMN CC(C)CN(CCC#N)CCC(=O)Nc1cccc(Cl)c1 ZINC000740423781 1020934678 /nfs/dbraw/zinc/93/46/78/1020934678.db2.gz PSSIJNIVXSSAJE-UHFFFAOYSA-N 0 1 307.825 3.540 20 30 DHEDMN COc1ccc(C=NN=c2[nH]c3ccccc3s2)cc1C#N ZINC000741760286 1021046748 /nfs/dbraw/zinc/04/67/48/1021046748.db2.gz WUMLLWNJUMRGKY-UHFFFAOYSA-N 0 1 308.366 3.623 20 30 DHEDMN CCOc1cccc([C@H](C)NCc2ccc(C#N)cc2OC)c1 ZINC000180698592 1021147813 /nfs/dbraw/zinc/14/78/13/1021147813.db2.gz QQKMFEIZXHUWSO-AWEZNQCLSA-N 0 1 310.397 3.816 20 30 DHEDMN COc1ccc(C/N=C/c2cc(Cl)cc(Cl)c2O)nc1 ZINC000766284754 1021148645 /nfs/dbraw/zinc/14/86/45/1021148645.db2.gz YAVIUCRYHCHKSZ-UBKPWBPPSA-N 0 1 311.168 3.722 20 30 DHEDMN Cc1ccc(N(CCC#N)C(=O)CN(C)CCC(C)C)cc1C ZINC000917170632 1021207832 /nfs/dbraw/zinc/20/78/32/1021207832.db2.gz RXHSKEVXQIBXRF-UHFFFAOYSA-N 0 1 315.461 3.528 20 30 DHEDMN Clc1ccc(Br)c(CN=Nc2ccccn2)c1 ZINC000743426110 1021287720 /nfs/dbraw/zinc/28/77/20/1021287720.db2.gz IRWKBDPBXXYXIJ-UHFFFAOYSA-N 0 1 310.582 3.944 20 30 DHEDMN Fc1cccc(N=NC2CCN(Cc3ccccc3)C2)c1F ZINC000743443124 1021293305 /nfs/dbraw/zinc/29/33/05/1021293305.db2.gz RRCGYEDPNMWKFC-UHFFFAOYSA-N 0 1 301.340 3.639 20 30 DHEDMN N#CCCOCCN1CCC[C@@H]1c1ccc(Br)cc1 ZINC000338920839 1021329549 /nfs/dbraw/zinc/32/95/49/1021329549.db2.gz NXJVHXNMZQXGDX-OAHLLOKOSA-N 0 1 323.234 3.516 20 30 DHEDMN C=C(Br)CN[C@H](C)c1cccc(N2CCCC2)c1 ZINC000181875159 1021376288 /nfs/dbraw/zinc/37/62/88/1021376288.db2.gz WLJZBGPCJUFZDS-CYBMUJFWSA-N 0 1 309.251 3.846 20 30 DHEDMN COc1cc(CNCc2csc(C#N)c2)ccc1OC(F)F ZINC000921498379 1021394273 /nfs/dbraw/zinc/39/42/73/1021394273.db2.gz FEMXKSSWGBHNNA-UHFFFAOYSA-N 0 1 324.352 3.520 20 30 DHEDMN CC(C)(C#N)CCCN1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000174855730 1021435672 /nfs/dbraw/zinc/43/56/72/1021435672.db2.gz FRLOQGQSYVQSHO-KRWDZBQOSA-N 0 1 314.429 3.524 20 30 DHEDMN CC(C)CO[C@H](C)C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797569282 1021471011 /nfs/dbraw/zinc/47/10/11/1021471011.db2.gz ADAMFUOCZYVUGH-NEPJUHHUSA-N 0 1 308.447 3.678 20 30 DHEDMN C#Cc1cccc(NC(=O)CN(C)[C@@H](C)c2cccc(C)c2)c1 ZINC000744389173 1021525842 /nfs/dbraw/zinc/52/58/42/1021525842.db2.gz MVEKIYVMFGWSKQ-INIZCTEOSA-N 0 1 306.409 3.608 20 30 DHEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H]2CCCC3(CC3)C2)c1 ZINC000850757033 1021641048 /nfs/dbraw/zinc/64/10/48/1021641048.db2.gz GGATYSIESOGGFV-HOCLYGCPSA-N 0 1 310.397 3.613 20 30 DHEDMN Cc1cccc(NC(=O)C(C#N)C(=O)C2[C@@H]3CCCCCC[C@@H]23)c1 ZINC000850757400 1021641551 /nfs/dbraw/zinc/64/15/51/1021641551.db2.gz JYDMOEJVCOLECU-BRWVUGGUSA-N 0 1 324.424 3.859 20 30 DHEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@H](C)Cc3ccco3)[nH]c21 ZINC000850850489 1021665846 /nfs/dbraw/zinc/66/58/46/1021665846.db2.gz YQOWYOCFJXOCGI-TZMCWYRMSA-N 0 1 307.353 3.519 20 30 DHEDMN CO[C@@H](C(=O)C(C#N)c1nc(C(C)C)cs1)C1CCCC1 ZINC000850874109 1021672241 /nfs/dbraw/zinc/67/22/41/1021672241.db2.gz SYIUMODVKSLJHK-IUODEOHRSA-N 0 1 306.431 3.648 20 30 DHEDMN CC(C)(C)[C@@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000619179503 1021672550 /nfs/dbraw/zinc/67/25/50/1021672550.db2.gz QXRWKHWGAUACBA-KRWDZBQOSA-N 0 1 300.446 3.735 20 30 DHEDMN N#CC(C(=O)C1CCC2(CC2)CC1)=C(O)C1(c2ccccc2)CC1 ZINC000851107704 1021741032 /nfs/dbraw/zinc/74/10/32/1021741032.db2.gz WKBTZAXYDYBOAE-QGZVFWFLSA-N 0 1 321.420 3.967 20 30 DHEDMN C=C(Cl)CNCc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000763435082 1021750958 /nfs/dbraw/zinc/75/09/58/1021750958.db2.gz YLHAARPOKRFTPF-UHFFFAOYSA-N 0 1 324.815 3.776 20 30 DHEDMN C=CCN(Cc1ccccc1F)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338932754 1021755090 /nfs/dbraw/zinc/75/50/90/1021755090.db2.gz FPTIQOFVASHHHF-UHFFFAOYSA-N 0 1 316.332 3.628 20 30 DHEDMN Cc1ccsc1CCCC(=O)Nc1cc(C#N)ccc1O ZINC000119199768 1021789394 /nfs/dbraw/zinc/78/93/94/1021789394.db2.gz ZNARZZYDFXVTDR-UHFFFAOYSA-N 0 1 300.383 3.595 20 30 DHEDMN Cc1nccc(N(C)CCOCc2ccc(C#N)cc2)c1Cl ZINC000341060117 1021824635 /nfs/dbraw/zinc/82/46/35/1021824635.db2.gz GMPHYAWPJGRJHE-UHFFFAOYSA-N 0 1 315.804 3.568 20 30 DHEDMN COc1cc(CN2CCS[C@@H](c3ccccc3)C2)ccc1C#N ZINC000619674490 1021825222 /nfs/dbraw/zinc/82/52/22/1021825222.db2.gz PYIMSITYNMEGAG-LJQANCHMSA-N 0 1 324.449 3.857 20 30 DHEDMN N#CC(C(=O)C[C@@H]1C[C@H]1C1CC1)c1cc(C(F)(F)F)ccn1 ZINC000893063776 1021847128 /nfs/dbraw/zinc/84/71/28/1021847128.db2.gz WYFZCEUOCXFASL-DRZSPHRISA-N 0 1 308.303 3.713 20 30 DHEDMN N#CC(=C([O-])c1cc2ccsc2[nH]1)c1nc2ccccc2o1 ZINC000619753904 1021861727 /nfs/dbraw/zinc/86/17/27/1021861727.db2.gz DNXKSPGJFKRKFZ-JTQLQIEISA-N 0 1 307.334 3.861 20 30 DHEDMN N#CC(C(=O)c1cc2ccsc2[nH]1)c1nc2ccccc2o1 ZINC000619753904 1021861744 /nfs/dbraw/zinc/86/17/44/1021861744.db2.gz DNXKSPGJFKRKFZ-JTQLQIEISA-N 0 1 307.334 3.861 20 30 DHEDMN C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000852102468 1022076338 /nfs/dbraw/zinc/07/63/38/1022076338.db2.gz XXVGWBQRBLZRBG-BONVTDFDSA-N 0 1 313.228 3.712 20 30 DHEDMN COc1cccc2c1OCCC2=NN=c1ccc2ccccc2[nH]1 ZINC000920358449 1022108709 /nfs/dbraw/zinc/10/87/09/1022108709.db2.gz DMBSPIMASJKNOL-UHFFFAOYSA-N 0 1 319.364 3.842 20 30 DHEDMN COc1cccc2c1OCCC2N=Nc1ccc2ccccc2n1 ZINC000920358449 1022108713 /nfs/dbraw/zinc/10/87/13/1022108713.db2.gz DMBSPIMASJKNOL-UHFFFAOYSA-N 0 1 319.364 3.842 20 30 DHEDMN CN(Cc1ccc(-c2cnn(C)c2)s1)Cc1cccc(C#N)c1 ZINC000338946565 1022129721 /nfs/dbraw/zinc/12/97/21/1022129721.db2.gz YUUVYWAPCIHWQL-UHFFFAOYSA-N 0 1 322.437 3.652 20 30 DHEDMN C#C[C@@H](/N=C/c1cc(Cl)cc(Cl)c1O)C1CCOCC1 ZINC000852998898 1022192721 /nfs/dbraw/zinc/19/27/21/1022192721.db2.gz TUYHVDRZQDNXBX-UHPUNMKFSA-N 0 1 312.196 3.546 20 30 DHEDMN C#C[C@H](/N=C\c1cc(Cl)cc(Cl)c1O)C1CCOCC1 ZINC000852998899 1022193620 /nfs/dbraw/zinc/19/36/20/1022193620.db2.gz TUYHVDRZQDNXBX-WXARJGPPSA-N 0 1 312.196 3.546 20 30 DHEDMN Fc1ccc(CN=Nc2nccnc2C2CCC2)c(F)c1F ZINC000853346384 1022260903 /nfs/dbraw/zinc/26/09/03/1022260903.db2.gz ZXVDQAGOHHDPJR-UHFFFAOYSA-N 0 1 306.291 3.607 20 30 DHEDMN CC(=NNc1ccc([N+](=O)[O-])cc1F)c1coc(C(C)C)n1 ZINC000853396432 1022269219 /nfs/dbraw/zinc/26/92/19/1022269219.db2.gz JFNQJYCPKSXNLJ-UHFFFAOYSA-N 0 1 306.297 3.681 20 30 DHEDMN CC[C@@H](Oc1ccccc1C)C(=O)C(C#N)c1nc(C)cs1 ZINC000175081514 1022290996 /nfs/dbraw/zinc/29/09/96/1022290996.db2.gz WECWAQPCIKQMAS-ZIAGYGMSSA-N 0 1 314.410 3.794 20 30 DHEDMN CC(C)[C@@H](C#N)N1CCN(CCc2ccc3ccccc3c2)CC1 ZINC000609625424 1022315018 /nfs/dbraw/zinc/31/50/18/1022315018.db2.gz LURDFQFTHHFELW-OAQYLSRUSA-N 0 1 321.468 3.548 20 30 DHEDMN C=CCCOCCNCc1nc(-c2cccc(OC)c2)cs1 ZINC000893251338 1022351854 /nfs/dbraw/zinc/35/18/54/1022351854.db2.gz LMCVXVSVRFWANH-UHFFFAOYSA-N 0 1 318.442 3.501 20 30 DHEDMN Cc1cccc2c1[C@@H](C)/C(=C\c1cc(O)ccc1[N+](=O)[O-])C2=O ZINC000766695700 1022401998 /nfs/dbraw/zinc/40/19/98/1022401998.db2.gz LTFVWTPEBMBTAR-ZRRZQRFHSA-N 0 1 309.321 3.992 20 30 DHEDMN CCOC(=O)c1c(C)oc(Nc2ccc(Cl)c(O)c2)c1C#N ZINC001212590475 1022422635 /nfs/dbraw/zinc/42/26/35/1022422635.db2.gz NZYXUZQHESFGIJ-UHFFFAOYSA-N 0 1 320.732 3.739 20 30 DHEDMN O=C(/C=C/c1cn2cc(Cl)ccc2n1)c1ccc(O)c(F)c1 ZINC000170851702 1022431730 /nfs/dbraw/zinc/43/17/30/1022431730.db2.gz ZNKYILBGSPBAMZ-HWKANZROSA-N 0 1 316.719 3.729 20 30 DHEDMN C=CC[C@H]1[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])CCCC1(C)C ZINC001169843464 1022563454 /nfs/dbraw/zinc/56/34/54/1022563454.db2.gz DFLOGMZKYFIEOJ-MRXNPFEDSA-N 0 1 304.390 3.867 20 30 DHEDMN COC(=O)c1cc(C=NNc2nc3ccccc3cc2C)oc1C ZINC000776786450 1022568985 /nfs/dbraw/zinc/56/89/85/1022568985.db2.gz VLTWIGDCGUZPOF-UHFFFAOYSA-N 0 1 323.352 3.677 20 30 DHEDMN CCc1nn(C)c(CC)c1CN=Nc1nc2ccccc2cc1C ZINC000776786205 1022574071 /nfs/dbraw/zinc/57/40/71/1022574071.db2.gz RRUOZXABFPTRNR-UHFFFAOYSA-N 0 1 321.428 3.848 20 30 DHEDMN CCN(CC)Cc1ccc(C(=O)N(CCC#N)C(C)(C)CC)o1 ZINC000615925998 1022600347 /nfs/dbraw/zinc/60/03/47/1022600347.db2.gz RCPDNOVSUPTCMT-UHFFFAOYSA-N 0 1 319.449 3.666 20 30 DHEDMN C#CCOc1ccc(CNCc2ccccc2OCC=C)cc1 ZINC000113341100 1022635724 /nfs/dbraw/zinc/63/57/24/1022635724.db2.gz QNTAUBXWFLWSBT-UHFFFAOYSA-N 0 1 307.393 3.553 20 30 DHEDMN Clc1ccc(Br)cc1CN=Nc1ccccn1 ZINC000767760245 1022797034 /nfs/dbraw/zinc/79/70/34/1022797034.db2.gz GESHZIMINAINHB-UHFFFAOYSA-N 0 1 310.582 3.944 20 30 DHEDMN COc1ccc(N=NCc2cccc3cccnc32)c([N+](=O)[O-])c1 ZINC000767795490 1022812482 /nfs/dbraw/zinc/81/24/82/1022812482.db2.gz CDNYCOGOFCJJQV-UHFFFAOYSA-N 0 1 322.324 3.598 20 30 DHEDMN Cc1ccc(C=NNc2ccc(F)cn2)cc1Br ZINC000767908377 1022839374 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C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccnn1CC1CCC1 ZINC000925185829 1030295897 /nfs/dbraw/zinc/29/58/97/1030295897.db2.gz PLGVVEXEQTUGKJ-LSDHHAIUSA-N 0 1 308.429 3.967 20 30 DHEDMN COc1ccc2c(c1)CCCN(Cc1cc(C#N)ccc1OC)C2 ZINC000533469067 1030371810 /nfs/dbraw/zinc/37/18/10/1030371810.db2.gz QBFRJDUMRBELCS-UHFFFAOYSA-N 0 1 322.408 3.524 20 30 DHEDMN CCCOc1ccc2c(c1)CCN(Cc1ccc(C#N)cc1)C2 ZINC000533537537 1030414632 /nfs/dbraw/zinc/41/46/32/1030414632.db2.gz AHJVVZYEFLWZRX-UHFFFAOYSA-N 0 1 306.409 3.905 20 30 DHEDMN C=CC[C@H](CO)CN[C@@H](c1cc2ccccc2o1)c1ccccn1 ZINC000925694050 1030454742 /nfs/dbraw/zinc/45/47/42/1030454742.db2.gz DJUXYHSXILKNNL-MGPUTAFESA-N 0 1 322.408 3.691 20 30 DHEDMN Cn1cc2c(n1)CC/C(=C/c1cc(Cl)c(O)cc1Cl)C2=O ZINC000794961526 1030455191 /nfs/dbraw/zinc/45/51/91/1030455191.db2.gz GXZJNBCMPSGMDW-YWEYNIOJSA-N 0 1 323.179 3.645 20 30 DHEDMN Fc1cccc(N=NCc2cc3ccccc3nc2Cl)n1 ZINC000795007901 1030565112 /nfs/dbraw/zinc/56/51/12/1030565112.db2.gz QJMIKWRLJBPEEG-UHFFFAOYSA-N 0 1 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/nfs/dbraw/zinc/65/54/70/1030655470.db2.gz NSMBCDDOGULFLP-SUMWQHHRSA-N 0 1 314.408 3.567 20 30 DHEDMN COc1cccc2c1CN(Cc1ccc(O[C@@H](C)C#N)cc1)CC2 ZINC000824982710 1030694397 /nfs/dbraw/zinc/69/43/97/1030694397.db2.gz JSHBLPOUCPWOJL-HNNXBMFYSA-N 0 1 322.408 3.544 20 30 DHEDMN C#Cc1cccc(CNCc2c(C3CC3)nc3sccn23)c1 ZINC000825227589 1030765473 /nfs/dbraw/zinc/76/54/73/1030765473.db2.gz VGGUFJKKWNNLAC-UHFFFAOYSA-N 0 1 307.422 3.544 20 30 DHEDMN C=CCC[C@H](CO)N[C@@H](C)c1ncc(C(F)(F)F)cc1Cl ZINC000926545613 1030792089 /nfs/dbraw/zinc/79/20/89/1030792089.db2.gz LDSFYNXKVXKGBL-GXSJLCMTSA-N 0 1 322.758 3.732 20 30 DHEDMN COc1ccnc([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000926603024 1030821754 /nfs/dbraw/zinc/82/17/54/1030821754.db2.gz QZSYZEHSHLJECK-SCLBCKFNSA-N 0 1 307.397 3.690 20 30 DHEDMN CCS[C@@H](C(=O)C(C#N)c1nc2ccccc2o1)C(C)C ZINC000067621932 1030827499 /nfs/dbraw/zinc/82/74/99/1030827499.db2.gz LFOFVQPSZQYHRC-IAQYHMDHSA-N 0 1 302.399 3.782 20 30 DHEDMN C#CC[C@@H]1CCCN(C(=O)c2cc(-c3ccc(C)c(C)c3)[nH]n2)C1 ZINC000844006436 1030934592 /nfs/dbraw/zinc/93/45/92/1030934592.db2.gz XSGSXOPUDBEPDX-MRXNPFEDSA-N 0 1 321.424 3.569 20 30 DHEDMN C#C[C@H]1CCCN(Cc2ccc(OC(F)(F)F)cc2F)C1 ZINC001143791532 1030971467 /nfs/dbraw/zinc/97/14/67/1030971467.db2.gz SWXUYUFHXHPZRS-NSHDSACASA-N 0 1 301.283 3.570 20 30 DHEDMN CCC1(C(=O)NOc2cccc(C#N)c2)CCC(F)(F)CC1 ZINC000870690290 1031063908 /nfs/dbraw/zinc/06/39/08/1031063908.db2.gz MDVDEKBQYLJRAO-UHFFFAOYSA-N 0 1 308.328 3.574 20 30 DHEDMN CC(C)(C)OC(=O)NCCCCCCN1CCC[C@@](C)(C#N)C1 ZINC000844317712 1031066266 /nfs/dbraw/zinc/06/62/66/1031066266.db2.gz JHFQWGCYJQAKPA-SFHVURJKSA-N 0 1 323.481 3.697 20 30 DHEDMN CC(C)Oc1ccccc1CN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370250 1031068609 /nfs/dbraw/zinc/06/86/09/1031068609.db2.gz POLNXQNYUZOXFQ-LJQANCHMSA-N 0 1 324.424 3.511 20 30 DHEDMN CC(C)(C#N)CC(=O)Nc1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000871072483 1031132786 /nfs/dbraw/zinc/13/27/86/1031132786.db2.gz RWUWFDHCERVSOM-UHFFFAOYSA-N 0 1 311.172 3.748 20 30 DHEDMN CCCc1cccc(C=C2CCc3c(C#N)c(=O)[nH]cc3C2=O)c1 ZINC000844554392 1031210495 /nfs/dbraw/zinc/21/04/95/1031210495.db2.gz LRDRARPHKPIXLR-GDNBJRDFSA-N 0 1 318.376 3.824 20 30 DHEDMN Cc1c(N[NH+]=C2CC[C@@H]3CNc4cccc2c43)cccc1C(=O)[O-] ZINC000844623524 1031256621 /nfs/dbraw/zinc/25/66/21/1031256621.db2.gz OLRSUDZYKCSWSV-GFCCVEGCSA-N 0 1 321.380 3.812 20 30 DHEDMN C=C(C(=O)Nc1c(Cl)ccc(O)c1Cl)C(F)(F)F ZINC001144209325 1031325411 /nfs/dbraw/zinc/32/54/11/1031325411.db2.gz CXUIASSTXOVUBC-UHFFFAOYSA-N 0 1 300.063 3.756 20 30 DHEDMN N#C[C@H]1CCC[C@H](NCc2cc(C(F)(F)F)cc(Cl)n2)C1 ZINC000872116137 1031508025 /nfs/dbraw/zinc/50/80/25/1031508025.db2.gz ISYHEKKKHDQONJ-ONGXEEELSA-N 0 1 317.742 3.926 20 30 DHEDMN CC[C@H](C#N)Oc1cccc(CNCc2ccc(C#N)cc2F)c1 ZINC000772920542 1031516893 /nfs/dbraw/zinc/51/68/93/1031516893.db2.gz HCJSWXORIKOVIQ-QGZVFWFLSA-N 0 1 323.371 3.668 20 30 DHEDMN N#Cc1ccc(CN2CCC[C@H](OC3CCC3)CC2)c(F)c1 ZINC000872261436 1031563867 /nfs/dbraw/zinc/56/38/67/1031563867.db2.gz FDUPOVIXZIMPJJ-KRWDZBQOSA-N 0 1 302.393 3.621 20 30 DHEDMN CC(C)Oc1ccc(NC(=N)c2ccc3cc(O)ccc3c2)cn1 ZINC001171184310 1031595278 /nfs/dbraw/zinc/59/52/78/1031595278.db2.gz JVEOUOSUBAMVAF-UHFFFAOYSA-N 0 1 321.380 3.765 20 30 DHEDMN CSCC1(CC(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)CC1 ZINC000845473842 1031596920 /nfs/dbraw/zinc/59/69/20/1031596920.db2.gz QSFFLVXKRIBAQH-GFCCVEGCSA-N 0 1 313.426 3.581 20 30 DHEDMN N#CC(C(=O)CCCc1ccc2c(c1)CCCC2)c1ccncn1 ZINC000845512860 1031614301 /nfs/dbraw/zinc/61/43/01/1031614301.db2.gz DAPQKSLFIGZTTJ-SFHVURJKSA-N 0 1 319.408 3.555 20 30 DHEDMN N#C[C@H](C(=O)[C@@H]1C[C@@H]1C1CCCC1)c1cnc2ccccc2n1 ZINC000845530565 1031622854 /nfs/dbraw/zinc/62/28/54/1031622854.db2.gz JKHQISUIVZVNPS-KFWWJZLASA-N 0 1 305.381 3.632 20 30 DHEDMN C=CCCC1(C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)CC1 ZINC000476068896 1031633944 /nfs/dbraw/zinc/63/39/44/1031633944.db2.gz ZXZLJLJVYHTZDM-UHFFFAOYSA-N 0 1 316.792 3.810 20 30 DHEDMN N#CC(C(=O)[C@@H]1C[C@H]1C1CCC1)c1cc(C(F)(F)F)ccn1 ZINC000845574909 1031634546 /nfs/dbraw/zinc/63/45/46/1031634546.db2.gz PTZPQIWDEJDCLT-XQQFMLRXSA-N 0 1 308.303 3.713 20 30 DHEDMN N#Cc1cncc(C[N@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)c1 ZINC000929882458 1031635094 /nfs/dbraw/zinc/63/50/94/1031635094.db2.gz NAFHKXRLDFAJOO-SFHVURJKSA-N 0 1 316.408 3.814 20 30 DHEDMN N#C[C@@H](C(=O)C1CCC(c2ccccc2)CC1)c1ccncn1 ZINC000760342467 1031676418 /nfs/dbraw/zinc/67/64/18/1031676418.db2.gz YBPSSEJGWDRXGR-OFLPRAFFSA-N 0 1 305.381 3.627 20 30 DHEDMN Cc1oc(C(C)(C)C)cc1CN1CCC2(CC1)CC(=O)C=CO2 ZINC000897600036 1031684031 /nfs/dbraw/zinc/68/40/31/1031684031.db2.gz UDZWLVYFAZTKGV-UHFFFAOYSA-N 0 1 317.429 3.723 20 30 DHEDMN C[C@@H]1CCC[C@H]1CC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845846521 1031727469 /nfs/dbraw/zinc/72/74/69/1031727469.db2.gz UQHREIGQLOHVSU-VYDXJSESSA-N 0 1 309.409 3.822 20 30 DHEDMN C[C@@H](CC(F)(F)F)C(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845845798 1031729183 /nfs/dbraw/zinc/72/91/83/1031729183.db2.gz ZEVOGTJBXDPJNM-WCQYABFASA-N 0 1 323.314 3.585 20 30 DHEDMN CC[C@H](CC(F)F)C(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845845472 1031729762 /nfs/dbraw/zinc/72/97/62/1031729762.db2.gz XWGANZGLRJAUCE-TZMCWYRMSA-N 0 1 319.351 3.678 20 30 DHEDMN N#CC(C(=O)C[C@H]1C=CCCC1)=C(O)C1(c2ccccc2)CC1 ZINC000845841359 1031738663 /nfs/dbraw/zinc/73/86/63/1031738663.db2.gz ABFDMIJWEBBJQX-RDJZCZTQSA-N 0 1 307.393 3.743 20 30 DHEDMN CC(C)[C@]1(C)C[C@@H]1C(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845843550 1031741217 /nfs/dbraw/zinc/74/12/17/1031741217.db2.gz DFIPYALTBPLDJJ-MDZRGWNJSA-N 0 1 309.409 3.678 20 30 DHEDMN C[C@@H](C(=O)C(C#N)=C(O)C1(c2ccccc2)CC1)c1cccs1 ZINC000845842242 1031741271 /nfs/dbraw/zinc/74/12/71/1031741271.db2.gz SRTKHFBAAYBVPN-HIFRSBDPSA-N 0 1 323.417 3.861 20 30 DHEDMN C#CCCCCCC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845846863 1031754657 /nfs/dbraw/zinc/75/46/57/1031754657.db2.gz WRZYDHWOLDYCEA-QGZVFWFLSA-N 0 1 307.393 3.580 20 30 DHEDMN Cc1cc(C#N)cc(C)c1CN1CCCC[C@H]1c1ccnn1C ZINC000930308361 1031775752 /nfs/dbraw/zinc/77/57/52/1031775752.db2.gz YAAFLXHVISWBAN-IBGZPJMESA-N 0 1 308.429 3.636 20 30 DHEDMN Cc1c(CNCC2(C#N)CCCC2)sc2nc(C)nc(C)c12 ZINC000846010888 1031805634 /nfs/dbraw/zinc/80/56/34/1031805634.db2.gz KBGDEAYZYKFYNG-UHFFFAOYSA-N 0 1 314.458 3.790 20 30 DHEDMN Cc1nn(-c2ccccc2)cc1C=NNc1cc(Cl)ccn1 ZINC000777907305 1031809923 /nfs/dbraw/zinc/80/99/23/1031809923.db2.gz QSBGLGQZNCSUAL-UHFFFAOYSA-N 0 1 311.776 3.675 20 30 DHEDMN Cn1cc(C=NNc2cc(Cl)ccn2)c(-c2ccccc2)n1 ZINC000777907698 1031811060 /nfs/dbraw/zinc/81/10/60/1031811060.db2.gz ZLYIATSVFBMCQX-UHFFFAOYSA-N 0 1 311.776 3.582 20 30 DHEDMN COc1ccc2[nH]c(=NN=Cc3cc(C#N)cs3)c(C)cc2c1 ZINC000777914123 1031842790 /nfs/dbraw/zinc/84/27/90/1031842790.db2.gz XXNFAWQGNFJGDE-UHFFFAOYSA-N 0 1 322.393 3.931 20 30 DHEDMN C=CC[N@H+](Cc1ccccc1CC(=O)[O-])CC1CCCCC1 ZINC000846246769 1031951010 /nfs/dbraw/zinc/95/10/10/1031951010.db2.gz LDKCSELGNUUZAT-UHFFFAOYSA-N 0 1 301.430 3.882 20 30 DHEDMN C=CCCC[C@@H](C(=O)N(C)Cc1cn[nH]c1C)c1ccccc1 ZINC000898099178 1031960724 /nfs/dbraw/zinc/96/07/24/1031960724.db2.gz KEICCYMTXQPOKF-GOSISDBHSA-N 0 1 311.429 3.817 20 30 DHEDMN C=CCCCCCCCCC(=O)Nc1nc(C)nc2nc[nH]c21 ZINC001144795678 1031968603 /nfs/dbraw/zinc/96/86/03/1031968603.db2.gz MDPIHHPYKSFHLR-UHFFFAOYSA-N 0 1 315.421 3.907 20 30 DHEDMN C=C1CCC(F)=CC1=NC(F)(F)c1cc(N)cc(Cl)n1 ZINC001160716354 1031973508 /nfs/dbraw/zinc/97/35/08/1031973508.db2.gz MBUCZTNZUZLNHT-UHFFFAOYSA-N 0 1 301.699 3.653 20 30 DHEDMN C=C[C@H](CC)CC(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000930943387 1031990327 /nfs/dbraw/zinc/99/03/27/1031990327.db2.gz NLPDIFDCLBMCSL-MLGOLLRUSA-N 0 1 313.401 3.955 20 30 DHEDMN C[C@H](CCC#N)CN1CCCC[C@H]1C(=O)OCc1ccccc1 ZINC000877488967 1033319220 /nfs/dbraw/zinc/31/92/20/1033319220.db2.gz JTMZCLPRGGJVHC-AEFFLSMTSA-N 0 1 314.429 3.524 20 30 DHEDMN COCc1cccc(C(=O)C(C#N)c2nc3ccccc3s2)c1 ZINC000041502775 1033327685 /nfs/dbraw/zinc/32/76/85/1033327685.db2.gz HAFBUKALKJGPES-CQSZACIVSA-N 0 1 322.389 3.933 20 30 DHEDMN Cc1c[nH]cc1C(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000338402466 1033339375 /nfs/dbraw/zinc/33/93/75/1033339375.db2.gz ZCWRNIOWTPULLD-ZDUSSCGKSA-N 0 1 307.378 3.937 20 30 DHEDMN Cc1c[nH]cc1C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 ZINC000338402466 1033339392 /nfs/dbraw/zinc/33/93/92/1033339392.db2.gz ZCWRNIOWTPULLD-ZDUSSCGKSA-N 0 1 307.378 3.937 20 30 DHEDMN COc1c(C)cnc(CN[C@H]2CCCc3cc(C#N)ccc32)c1C ZINC000877593729 1033371871 /nfs/dbraw/zinc/37/18/71/1033371871.db2.gz GCYHUDDGXIVIOG-SFHVURJKSA-N 0 1 321.424 3.746 20 30 DHEDMN CCC[C@@H](OCC)C(=O)C(C#N)c1nc2ccccc2s1 ZINC000860452174 1033385281 /nfs/dbraw/zinc/38/52/81/1033385281.db2.gz SWCJYYIBNHZEGV-DGCLKSJQSA-N 0 1 302.399 3.678 20 30 DHEDMN CCO[C@@H](C(=O)C(C#N)c1nc2cc(F)ccc2s1)C(C)C ZINC000860532791 1033406092 /nfs/dbraw/zinc/40/60/92/1033406092.db2.gz KIYGBWLNJSCDKU-IAQYHMDHSA-N 0 1 320.389 3.673 20 30 DHEDMN CCn1c2ccccc2nc1CN(C)CCc1cccc(C#N)c1 ZINC000877704513 1033418971 /nfs/dbraw/zinc/41/89/71/1033418971.db2.gz PNZZFSIIZOVONU-UHFFFAOYSA-N 0 1 318.424 3.602 20 30 DHEDMN CCO[C@H](C(=O)C(C#N)c1ncc(C(C)(C)C)s1)C(C)C ZINC000860732599 1033472126 /nfs/dbraw/zinc/47/21/26/1033472126.db2.gz LVFUAXKOKQSVOK-RISCZKNCSA-N 0 1 308.447 3.678 20 30 DHEDMN CC(=O)[C@@](C#N)(CC[N@H+](C)Cc1ccc(C)cc1)c1ccccc1 ZINC000877931940 1033517937 /nfs/dbraw/zinc/51/79/37/1033517937.db2.gz IMLIWVFPIUKUTL-NRFANRHFSA-N 0 1 320.436 3.868 20 30 DHEDMN CC(=O)[C@@](C#N)(CCN(C)Cc1ccc(C)cc1)c1ccccc1 ZINC000877931940 1033517945 /nfs/dbraw/zinc/51/79/45/1033517945.db2.gz IMLIWVFPIUKUTL-NRFANRHFSA-N 0 1 320.436 3.868 20 30 DHEDMN CC(=O)[C@@](C#N)(CCN(C)Cc1cccc(C)c1)c1ccccc1 ZINC000877976059 1033540919 /nfs/dbraw/zinc/54/09/19/1033540919.db2.gz RZZCWYRVGATKCM-NRFANRHFSA-N 0 1 320.436 3.868 20 30 DHEDMN CC(=O)[C@](C#N)(CCN1CCC[C@@H]1c1ccc[nH]1)c1ccccc1 ZINC000878213447 1033625051 /nfs/dbraw/zinc/62/50/51/1033625051.db2.gz JCQHCGUFUYRONV-WOJBJXKFSA-N 0 1 321.424 3.592 20 30 DHEDMN C=CCCCC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000479544359 1033803983 /nfs/dbraw/zinc/80/39/83/1033803983.db2.gz RRAYSIYVKTWUCG-KRWDZBQOSA-N 0 1 320.864 3.949 20 30 DHEDMN C#CC[C@H]1CCN(Cc2cc3cnn(C(C)C)c3nc2Cl)C1 ZINC000862443354 1033856379 /nfs/dbraw/zinc/85/63/79/1033856379.db2.gz ONOAATVWRVTBAH-ZDUSSCGKSA-N 0 1 316.836 3.511 20 30 DHEDMN Cc1cn(CC(=O)Nc2nc(-c3ccco3)n[nH]2)c2ccccc12 ZINC000065308698 1033890974 /nfs/dbraw/zinc/89/09/74/1033890974.db2.gz NEWUPEMDTZEZFT-UHFFFAOYSA-N 0 1 321.340 3.616 20 30 DHEDMN COc1ccc(CNC(C)(C)c2ccccc2OC)cc1C#N ZINC000174345066 1033923615 /nfs/dbraw/zinc/92/36/15/1033923615.db2.gz XZZAVJIQTBRHCI-UHFFFAOYSA-N 0 1 310.397 3.600 20 30 DHEDMN C[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)[C@@]12C[C@@H]1CCCC2 ZINC000879263397 1033966857 /nfs/dbraw/zinc/96/68/57/1033966857.db2.gz LABVMXJORDTTDT-IYJAJMOOSA-N 0 1 322.412 3.667 20 30 DHEDMN Cc1cccc(N=NC(C[C@@H]2CCCO2)c2ccc(F)cc2)n1 ZINC000863160229 1034007861 /nfs/dbraw/zinc/00/78/61/1034007861.db2.gz 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ZINC000340950128 334396047 /nfs/dbraw/zinc/39/60/47/334396047.db2.gz MPAAUNYGEUXFRG-UHFFFAOYSA-N 0 1 311.404 3.953 20 30 DHEDMN C=CC(C)(C)C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000448689821 338451393 /nfs/dbraw/zinc/45/13/93/338451393.db2.gz JEEHLFKZLHLNKL-MRXNPFEDSA-N 0 1 320.864 3.805 20 30 DHEDMN N#Cc1cccc(CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)c1F ZINC000342247537 334520101 /nfs/dbraw/zinc/52/01/01/334520101.db2.gz UERJLDVZRMMIBK-KXBFYZLASA-N 0 1 324.399 3.955 20 30 DHEDMN C[C@H](NCc1cnc(-c2ccncc2)s1)c1ccc(C#N)cc1 ZINC000343193182 334653600 /nfs/dbraw/zinc/65/36/00/334653600.db2.gz SPOZLSYUCODRCT-ZDUSSCGKSA-N 0 1 320.421 3.928 20 30 DHEDMN C=C(C)COCCNCc1ccc(Br)cc1Cl ZINC000125817788 334819720 /nfs/dbraw/zinc/81/97/20/334819720.db2.gz OCOQPCIKULTBDE-UHFFFAOYSA-N 0 1 318.642 3.785 20 30 DHEDMN N#Cc1ccc(CN[C@@H]2CCCOc3ccc(F)cc32)s1 ZINC000343687432 335188393 /nfs/dbraw/zinc/18/83/93/335188393.db2.gz CUWVOOYFKBGTPG-OAHLLOKOSA-N 0 1 302.374 3.762 20 30 DHEDMN Cc1nc([C@H]2CCCN2CCCC2(C#N)CCOCC2)cs1 ZINC000366877451 335272268 /nfs/dbraw/zinc/27/22/68/335272268.db2.gz BNTXOOCSTDDLBZ-MRXNPFEDSA-N 0 1 319.474 3.689 20 30 DHEDMN CCCCOc1cccc(NC(=O)c2ccc(C#N)c(O)c2)c1 ZINC000190953278 335321436 /nfs/dbraw/zinc/32/14/36/335321436.db2.gz HAIAPSGFZWQIDR-UHFFFAOYSA-N 0 1 310.353 3.695 20 30 DHEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(F)c(F)c3)[nH]c21 ZINC000345403329 335323623 /nfs/dbraw/zinc/32/36/23/335323623.db2.gz UGKQETIYBDNBTA-NSHDSACASA-N 0 1 311.291 3.640 20 30 DHEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(F)c(F)c3)[nH]c21 ZINC000345403317 335323676 /nfs/dbraw/zinc/32/36/76/335323676.db2.gz UGKQETIYBDNBTA-LLVKDONJSA-N 0 1 311.291 3.640 20 30 DHEDMN CC(C)CCN(CCC#N)Cc1cc(-n2ccnc2)cs1 ZINC000346147139 335381656 /nfs/dbraw/zinc/38/16/56/335381656.db2.gz UXAIWJUAYXAXND-UHFFFAOYSA-N 0 1 302.447 3.696 20 30 DHEDMN C=CCCOCCN[C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000346637616 335430114 /nfs/dbraw/zinc/43/01/14/335430114.db2.gz OYCNRUNIMDKVTO-LJQANCHMSA-N 0 1 314.404 3.801 20 30 DHEDMN C=CCSCCN[C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000346651221 335431202 /nfs/dbraw/zinc/43/12/02/335431202.db2.gz RYGWFYLPNUGFJO-KRWDZBQOSA-N 0 1 302.418 3.819 20 30 DHEDMN N#Cc1ccc(CN[C@@H](CCO)c2ccc(Cl)cc2)cc1F ZINC000347455734 335497822 /nfs/dbraw/zinc/49/78/22/335497822.db2.gz VFMGYXPQFNLJEO-KRWDZBQOSA-N 0 1 318.779 3.564 20 30 DHEDMN N#Cc1cccc(CNCc2ccc(OC3CCCCC3)nc2)c1 ZINC000520213712 335940634 /nfs/dbraw/zinc/94/06/34/335940634.db2.gz PDRWGRTXPGKLMW-UHFFFAOYSA-N 0 1 321.424 3.955 20 30 DHEDMN CCCCC/C(=C\c1ccccc1)CN1CCN(CC#N)CC1 ZINC000179358069 335952428 /nfs/dbraw/zinc/95/24/28/335952428.db2.gz ZKIIOZRXMWWVNB-LVZFUZTISA-N 0 1 311.473 3.791 20 30 DHEDMN CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000329618034 336010834 /nfs/dbraw/zinc/01/08/34/336010834.db2.gz QHRHLZYGSSOSNX-YUELXQCFSA-N 0 1 324.856 3.666 20 30 DHEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)C1CCC(C(F)(F)F)CC1 ZINC000329626835 336015982 /nfs/dbraw/zinc/01/59/82/336015982.db2.gz UCIHLTZKMTUMIE-VQXHTEKXSA-N 0 1 315.339 3.592 20 30 DHEDMN CCC1CCC(NC(=O)N2CC[C@@H](n3cc(Cl)cn3)C2)CC1 ZINC000329689697 336045321 /nfs/dbraw/zinc/04/53/21/336045321.db2.gz GJSLZPRZKODFJL-PESDSKBTSA-N 0 1 324.856 3.666 20 30 DHEDMN CCC[C@@H]1[C@H](C)CCCN1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000330123863 336115617 /nfs/dbraw/zinc/11/56/17/336115617.db2.gz HTJQZFQNUPXRBX-BPLDGKMQSA-N 0 1 304.438 3.602 20 30 DHEDMN Cc1[nH]nc(-c2ccccc2)c1NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000330173156 336120860 /nfs/dbraw/zinc/12/08/60/336120860.db2.gz HCBDOYUIZSTVQA-CHWSQXEVSA-N 0 1 312.417 3.846 20 30 DHEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C2(C3CC3)CCOCC2)n[nH]1 ZINC000330179146 336121270 /nfs/dbraw/zinc/12/12/70/336121270.db2.gz FDZDYMDQNDYBNL-NWDGAFQWSA-N 0 1 320.437 3.543 20 30 DHEDMN C=CC[C@H]1N(C(=O)N[C@@H]2CCCc3cn[nH]c32)CCCC1(C)C ZINC000333215580 336199925 /nfs/dbraw/zinc/19/99/25/336199925.db2.gz QODMQUWHYAYNDB-HUUCEWRRSA-N 0 1 316.449 3.563 20 30 DHEDMN CC(C)(CO)[C@@H](NCc1cccc(C#N)c1F)c1ccccc1 ZINC000352365496 336214507 /nfs/dbraw/zinc/21/45/07/336214507.db2.gz SJMPGQJJBVHGFC-SFHVURJKSA-N 0 1 312.388 3.547 20 30 DHEDMN N#Cc1ccccc1CN1CCC2(CC1)OCCc1ccsc12 ZINC000352763331 336233491 /nfs/dbraw/zinc/23/34/91/336233491.db2.gz MHYMWVMUJDWXCW-UHFFFAOYSA-N 0 1 324.449 3.684 20 30 DHEDMN C=CCC(CC=C)C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000532325884 336240095 /nfs/dbraw/zinc/24/00/95/336240095.db2.gz MKTOOULACAOWOJ-KRWDZBQOSA-N 0 1 320.864 3.827 20 30 DHEDMN C=CCCCCCN(C)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000532573008 336256842 /nfs/dbraw/zinc/25/68/42/336256842.db2.gz KOGUMIMWLLFLGL-SFHVURJKSA-N 0 1 300.446 3.685 20 30 DHEDMN C[C@@H]1CN(C(C)(C)CNc2ccc(Cl)cc2C#N)C[C@H](C)O1 ZINC000301204630 336294823 /nfs/dbraw/zinc/29/48/23/336294823.db2.gz RAIQYTUQVMBZGP-BETUJISGSA-N 0 1 321.852 3.511 20 30 DHEDMN C[C@@H]1CN(C(C)(C)CNc2ccc(Cl)cc2C#N)C[C@@H](C)O1 ZINC000301204631 336294872 /nfs/dbraw/zinc/29/48/72/336294872.db2.gz RAIQYTUQVMBZGP-CHWSQXEVSA-N 0 1 321.852 3.511 20 30 DHEDMN CN(C)[C@@H](CNc1ccc(C(F)(F)F)cc1C#N)c1ccco1 ZINC000301479262 336309522 /nfs/dbraw/zinc/30/95/22/336309522.db2.gz QXMOROGEANZAEV-AWEZNQCLSA-N 0 1 323.318 3.885 20 30 DHEDMN N#Cc1cccc(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)n1 ZINC000301812380 336331755 /nfs/dbraw/zinc/33/17/55/336331755.db2.gz BWXDGDUDIWMSIU-UHFFFAOYSA-N 0 1 313.773 3.543 20 30 DHEDMN CC(=O)c1ccc(C#N)cc1NC[C@@H](c1cccs1)N(C)C ZINC000302036864 336344698 /nfs/dbraw/zinc/34/46/98/336344698.db2.gz FVHUYELTEDPKJW-INIZCTEOSA-N 0 1 313.426 3.537 20 30 DHEDMN Cc1ccc(C)n1C1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000352922844 336377270 /nfs/dbraw/zinc/37/72/70/336377270.db2.gz DSXBIAWNQGNGOK-UHFFFAOYSA-N 0 1 311.404 3.953 20 30 DHEDMN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@H](O)CC1CCCC1 ZINC000352922342 336377394 /nfs/dbraw/zinc/37/73/94/336377394.db2.gz QJCIWLAQDHBACA-IBGZPJMESA-N 0 1 319.493 3.783 20 30 DHEDMN N#Cc1ccc(CN2CCC[C@@H]2Cc2cc(F)ccc2F)o1 ZINC000418093352 336399301 /nfs/dbraw/zinc/39/93/01/336399301.db2.gz JCPRGGTUMRLIAJ-CQSZACIVSA-N 0 1 302.324 3.637 20 30 DHEDMN N#CCCCOc1cccc(CNCc2ccc3cc[nH]c3n2)c1 ZINC000353220199 336406916 /nfs/dbraw/zinc/40/69/16/336406916.db2.gz CKKSGEWIMLLSTE-UHFFFAOYSA-N 0 1 320.396 3.535 20 30 DHEDMN N#Cc1csc(CN2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000353418193 336416503 /nfs/dbraw/zinc/41/65/03/336416503.db2.gz ALISBIKZDRPMEB-UHFFFAOYSA-N 0 1 323.421 3.535 20 30 DHEDMN CC(C)Oc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cn1 ZINC000353425407 336417258 /nfs/dbraw/zinc/41/72/58/336417258.db2.gz JPDKALCBHNAJJB-SFHVURJKSA-N 0 1 307.397 3.518 20 30 DHEDMN COc1cc(CN[C@@H]2CCCOc3ccc(C)cc32)ccc1C#N ZINC000353608665 336428390 /nfs/dbraw/zinc/42/83/90/336428390.db2.gz JBKJSVOWZRIJOQ-GOSISDBHSA-N 0 1 322.408 3.879 20 30 DHEDMN CCc1ccc(CN2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000374291423 336986125 /nfs/dbraw/zinc/98/61/25/336986125.db2.gz KBGKGOUXZLGYRE-UHFFFAOYSA-N 0 1 305.425 3.701 20 30 DHEDMN COc1ccc(C#N)cc1CN1CCC(c2ccc(C)nc2)CC1 ZINC000374678266 336994766 /nfs/dbraw/zinc/99/47/66/336994766.db2.gz LECVRJGQCYMWEH-UHFFFAOYSA-N 0 1 321.424 3.650 20 30 DHEDMN CCCCCCCCC(=O)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000375237204 337006306 /nfs/dbraw/zinc/00/63/06/337006306.db2.gz MSDCMTKLIIZWIM-QGZVFWFLSA-N 0 1 314.433 3.761 20 30 DHEDMN C=CCOc1ccc(CN2CCC23CCOCC3)cc1Cl ZINC000375735066 337018285 /nfs/dbraw/zinc/01/82/85/337018285.db2.gz XGWWUNATVZJUJY-UHFFFAOYSA-N 0 1 307.821 3.660 20 30 DHEDMN C=C(C)COc1cc(CNCc2cncc(C)c2)ccc1OC ZINC000122947613 337030745 /nfs/dbraw/zinc/03/07/45/337030745.db2.gz IXJJHUIPYAYDPG-UHFFFAOYSA-N 0 1 312.413 3.643 20 30 DHEDMN COc1cccc([C@H](C)N2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000376593753 337037550 /nfs/dbraw/zinc/03/75/50/337037550.db2.gz ATPLKGPQJPZAJZ-INIZCTEOSA-N 0 1 321.424 3.709 20 30 DHEDMN C=CCN(CC(=O)Nc1ccccc1C(F)(F)F)[C@H](C)CC ZINC000176984170 337153560 /nfs/dbraw/zinc/15/35/60/337153560.db2.gz CSILGAYIWIQFMH-GFCCVEGCSA-N 0 1 314.351 3.930 20 30 DHEDMN C[C@H](NCc1cc(C#N)ccc1F)c1ccccc1-n1cccn1 ZINC000177384258 337155713 /nfs/dbraw/zinc/15/57/13/337155713.db2.gz MOPNPHBPXCUBRX-AWEZNQCLSA-N 0 1 320.371 3.734 20 30 DHEDMN CC(C)c1csc(C(C#N)C(=O)c2cc(C(C)C)nn2C)n1 ZINC000177750837 337157175 /nfs/dbraw/zinc/15/71/75/337157175.db2.gz SUDPARVVSUJFTR-NSHDSACASA-N 0 1 316.430 3.613 20 30 DHEDMN CCOc1ccc2c(c1)[C@H](NCc1ccc(C#N)cc1)CCO2 ZINC000178143719 337162656 /nfs/dbraw/zinc/16/26/56/337162656.db2.gz SFRAWSKJUDTRQQ-GOSISDBHSA-N 0 1 308.381 3.570 20 30 DHEDMN COc1ccc(Br)c(CN2CCC(CC#N)CC2)c1 ZINC000397213556 337257210 /nfs/dbraw/zinc/25/72/10/337257210.db2.gz AAJJRLPKUSEDHW-UHFFFAOYSA-N 0 1 323.234 3.583 20 30 DHEDMN C=CC[C@H](C(=O)NCc1nc2ccc(F)cc2[nH]1)c1ccccc1 ZINC000189990730 337283489 /nfs/dbraw/zinc/28/34/89/337283489.db2.gz IOQFEDAVABIBEL-HNNXBMFYSA-N 0 1 323.371 3.678 20 30 DHEDMN Cc1ccc(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)cc1F ZINC000190923583 337291409 /nfs/dbraw/zinc/29/14/09/337291409.db2.gz IBGNKJPWNAJSCO-ZDUSSCGKSA-N 0 1 305.312 3.567 20 30 DHEDMN Cc1ccc(C(=O)C(C#N)c2cnc3ccccc3n2)cc1F ZINC000190923583 337291410 /nfs/dbraw/zinc/29/14/10/337291410.db2.gz IBGNKJPWNAJSCO-ZDUSSCGKSA-N 0 1 305.312 3.567 20 30 DHEDMN N#CC(C(=O)c1nccc2ccccc21)c1cnc2ccccc2n1 ZINC000190933069 337291493 /nfs/dbraw/zinc/29/14/93/337291493.db2.gz UUOYXURXSOVQKA-HNNXBMFYSA-N 0 1 324.343 3.668 20 30 DHEDMN Cc1nn(C(C)(C)C)cc1[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC000192190429 337303922 /nfs/dbraw/zinc/30/39/22/337303922.db2.gz KCVJDGTZIHMUIB-LBPRGKRZSA-N 0 1 314.408 3.808 20 30 DHEDMN N#Cc1ccc(CN[C@H](c2ccccc2)[C@H]2CCCO2)cc1F ZINC000421320040 337526123 /nfs/dbraw/zinc/52/61/23/337526123.db2.gz BSJKPTXDGXJABO-RTBURBONSA-N 0 1 310.372 3.707 20 30 DHEDMN CC[C@H]1CN(Cc2cccc(OCCCC#N)c2)C[C@H](CC)O1 ZINC000421385490 337529813 /nfs/dbraw/zinc/52/98/13/337529813.db2.gz GNQQDVXEKFLBGZ-ROUUACIJSA-N 0 1 316.445 3.759 20 30 DHEDMN Cc1ccccc1O[C@@H]1CCCC[C@@H]1NC[C@@H](C#N)CCC#N ZINC000571875577 337579676 /nfs/dbraw/zinc/57/96/76/337579676.db2.gz SCPWZPOGFDWFJS-ZIFCJYIRSA-N 0 1 311.429 3.718 20 30 DHEDMN Cc1ncccc1CNCc1ccc(C#N)cc1C(F)(F)F ZINC000527792519 337764303 /nfs/dbraw/zinc/76/43/03/337764303.db2.gz AVMRJJWLULDISS-UHFFFAOYSA-N 0 1 305.303 3.570 20 30 DHEDMN C=C(C)COc1cc(CN[C@H](C)c2ccccn2)ccc1OC ZINC000057958955 337867493 /nfs/dbraw/zinc/86/74/93/337867493.db2.gz FJDLTMZUBRVEEE-OAHLLOKOSA-N 0 1 312.413 3.896 20 30 DHEDMN N#Cc1cc(F)ccc1CN(CCc1ccccc1)[C@@H]1CCOC1 ZINC000084133889 338000200 /nfs/dbraw/zinc/00/02/00/338000200.db2.gz DEICKNMOLGWOKW-HXUWFJFHSA-N 0 1 324.399 3.531 20 30 DHEDMN C=CCC(C)(C)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000516071191 338003580 /nfs/dbraw/zinc/00/35/80/338003580.db2.gz FWXLXTFQVMUFDB-GDBMZVCRSA-N 0 1 320.502 3.850 20 30 DHEDMN C=CCC[C@@H](NCc1cc2ccccc2n(C)c1=O)c1ccco1 ZINC000426316909 338026622 /nfs/dbraw/zinc/02/66/22/338026622.db2.gz KNHBWVCCOUQRGI-QGZVFWFLSA-N 0 1 322.408 3.929 20 30 DHEDMN C=CCCCCCN(C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000426469143 338032944 /nfs/dbraw/zinc/03/29/44/338032944.db2.gz PHFILOIDKNSKPI-UHFFFAOYSA-N 0 1 319.474 3.853 20 30 DHEDMN CN(Cc1cccc(F)c1C#N)C1CCN(c2ccccc2)CC1 ZINC000428971429 338067296 /nfs/dbraw/zinc/06/72/96/338067296.db2.gz VUWVQLCWXZBOPD-UHFFFAOYSA-N 0 1 323.415 3.798 20 30 DHEDMN C[C@@H]1CC[C@H](N(C)Cc2cc(C#N)ccc2Br)C1 ZINC000429555703 338083851 /nfs/dbraw/zinc/08/38/51/338083851.db2.gz BLVKERYGMYTYNM-RISCZKNCSA-N 0 1 307.235 3.941 20 30 DHEDMN N#CCC1(CNCc2cc(Br)ccc2Cl)CC1 ZINC000430022654 338093742 /nfs/dbraw/zinc/09/37/42/338093742.db2.gz LZQXXELDYVWJDZ-UHFFFAOYSA-N 0 1 313.626 3.886 20 30 DHEDMN N#CCC1(CNCc2ccc(Br)cc2Cl)CC1 ZINC000430066909 338094724 /nfs/dbraw/zinc/09/47/24/338094724.db2.gz RXCFKGQCBZZVGN-UHFFFAOYSA-N 0 1 313.626 3.886 20 30 DHEDMN CN(CCc1cccc(OC(F)(F)F)c1)CC(C)(C)C#N ZINC000433316228 338191977 /nfs/dbraw/zinc/19/19/77/338191977.db2.gz HGVCEJDCSHWJJC-UHFFFAOYSA-N 0 1 300.324 3.609 20 30 DHEDMN C=CCc1cc(CN2CCc3ccccc3C2)cc(OC)c1O ZINC000435236609 338234879 /nfs/dbraw/zinc/23/48/79/338234879.db2.gz JZZQJKBQKKEERH-UHFFFAOYSA-N 0 1 309.409 3.688 20 30 DHEDMN CC(=Cc1cc2ccccc2s1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435339076 338237478 /nfs/dbraw/zinc/23/74/78/338237478.db2.gz NYHKRALRCSAPBH-JXMROGBWSA-N 0 1 307.378 3.725 20 30 DHEDMN C=CCN(C(=O)c1cc(Cl)c2ccccc2c1O)C1CC1 ZINC000436763514 338286326 /nfs/dbraw/zinc/28/63/26/338286326.db2.gz HFFBVKZRSZIEJH-UHFFFAOYSA-N 0 1 301.773 3.989 20 30 DHEDMN FCCNCc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000437240043 338304445 /nfs/dbraw/zinc/30/44/45/338304445.db2.gz LQTSPOOSLJLIPL-SNVBAGLBSA-N 0 1 319.220 3.618 20 30 DHEDMN C=CCC1(C(=O)NC[C@H](c2cccs2)N(C)C)CCCCC1 ZINC000448585524 338303883 /nfs/dbraw/zinc/30/38/83/338303883.db2.gz OEVHCQDGRHISDU-OAHLLOKOSA-N 0 1 320.502 3.994 20 30 DHEDMN CC(C)[C@H]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000438493955 338346114 /nfs/dbraw/zinc/34/61/14/338346114.db2.gz WNIDRQBYVWHITH-INIZCTEOSA-N 0 1 323.440 3.716 20 30 DHEDMN CC(C)(C)[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccccc1 ZINC000438583605 338349050 /nfs/dbraw/zinc/34/90/50/338349050.db2.gz FRKBQDTTXIYKGN-UHFFFAOYSA-N 0 1 321.424 3.797 20 30 DHEDMN CC(C)(C)N(CC(=O)Nc1cccc(C#N)c1)Cc1ccccc1 ZINC000438583605 338349051 /nfs/dbraw/zinc/34/90/51/338349051.db2.gz FRKBQDTTXIYKGN-UHFFFAOYSA-N 0 1 321.424 3.797 20 30 DHEDMN CCO[C@H]1C[C@H](N(C)Cc2ccc(C#N)cc2Cl)C12CCC2 ZINC000439430207 338369089 /nfs/dbraw/zinc/36/90/89/338369089.db2.gz KWPZGAAEPOSTLO-IRXDYDNUSA-N 0 1 318.848 3.991 20 30 DHEDMN N#Cc1ccc(CN[C@H]2CSCCc3ccccc32)cc1F ZINC000449734919 338648918 /nfs/dbraw/zinc/64/89/18/338648918.db2.gz DWEOUNXFFUOSCB-SFHVURJKSA-N 0 1 312.413 3.818 20 30 DHEDMN COc1ncc([C@H](C)NCc2ccc(C#N)c(F)c2)cc1Cl ZINC000453382174 338835482 /nfs/dbraw/zinc/83/54/82/338835482.db2.gz LTGQWDHCCPSZCB-JTQLQIEISA-N 0 1 319.767 3.605 20 30 DHEDMN C=C(C)CCNC(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000458989297 339010324 /nfs/dbraw/zinc/01/03/24/339010324.db2.gz AZUANKMIWYSBLI-MRXNPFEDSA-N 0 1 312.417 3.684 20 30 DHEDMN Cc1ccccc1[C@H]1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459317661 339021252 /nfs/dbraw/zinc/02/12/52/339021252.db2.gz BOKVCNLPUXBNHZ-INIZCTEOSA-N 0 1 321.380 3.764 20 30 DHEDMN 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ZINC000181503104 525514159 /nfs/dbraw/zinc/51/41/59/525514159.db2.gz PPEQGLGZVGQMBC-GFCCVEGCSA-N 0 1 312.800 3.997 20 30 DHEDMN C[C@H](C(=O)Nc1ccccc1C#N)N1CCC2(CCCC2)CC1 ZINC000102827091 526164049 /nfs/dbraw/zinc/16/40/49/526164049.db2.gz FKDNJNNUOKWYOM-OAHLLOKOSA-N 0 1 311.429 3.541 20 30 DHEDMN N#Cc1ccc(CN2CCCSCC2)c(C(F)(F)F)c1 ZINC000356312968 526610789 /nfs/dbraw/zinc/61/07/89/526610789.db2.gz CWEUHRFFJOSQHK-UHFFFAOYSA-N 0 1 300.349 3.516 20 30 DHEDMN N#Cc1ccc(CNCc2cccc(OCC(F)F)c2)s1 ZINC000176964371 526624419 /nfs/dbraw/zinc/62/44/19/526624419.db2.gz QYOHGWVTCUSJSF-UHFFFAOYSA-N 0 1 308.353 3.553 20 30 DHEDMN CC(C)c1nc([C@H]2CCCCN2c2cccc(F)c2C#N)n[nH]1 ZINC000289540734 535380988 /nfs/dbraw/zinc/38/09/88/535380988.db2.gz FPYMSWYSGAMNDM-OAHLLOKOSA-N 0 1 313.380 3.670 20 30 DHEDMN COCC[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccco1 ZINC000272627757 536808735 /nfs/dbraw/zinc/80/87/35/536808735.db2.gz ZPTYTPFAYMQIRO-BLLLJJGKSA-N 0 1 302.349 3.719 20 30 DHEDMN N#Cc1ccc([C@H](C(=O)[O-])[N@@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000739103343 600565170 /nfs/dbraw/zinc/56/51/70/600565170.db2.gz AATPOYNMMBJLRS-HZPDHXFCSA-N 0 1 312.394 3.583 20 30 DHEDMN N#Cc1ccc([C@H](C(=O)[O-])[N@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000739103343 600565172 /nfs/dbraw/zinc/56/51/72/600565172.db2.gz AATPOYNMMBJLRS-HZPDHXFCSA-N 0 1 312.394 3.583 20 30 DHEDMN CCc1ccc([C@@H]2CCC[N@@H+]2[C@H](C(=O)[O-])c2ccc(C#N)cc2)o1 ZINC000737259797 600572369 /nfs/dbraw/zinc/57/23/69/600572369.db2.gz XXTCRDWNOIAROF-WMZOPIPTSA-N 0 1 324.380 3.676 20 30 DHEDMN CCc1ccc([C@@H]2CCC[N@H+]2[C@H](C(=O)[O-])c2ccc(C#N)cc2)o1 ZINC000737259797 600572370 /nfs/dbraw/zinc/57/23/70/600572370.db2.gz XXTCRDWNOIAROF-WMZOPIPTSA-N 0 1 324.380 3.676 20 30 DHEDMN N#Cc1cccc([C@@H](C(=O)[O-])[N@H+]2CCC[C@]3(CC=CCC3)C2)c1 ZINC000833074492 601318373 /nfs/dbraw/zinc/31/83/73/601318373.db2.gz YUWGQKJCVJCGGQ-PKOBYXMFSA-N 0 1 310.397 3.506 20 30 DHEDMN C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1cccc(C(=O)[O-])c1C#N ZINC000833598186 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ZINC000347062307 1016720075 /nfs/dbraw/zinc/72/00/75/1016720075.db2.gz VKBWFRCTNFSYTP-INIZCTEOSA-N 0 1 308.853 3.505 20 30 DHEDMN C=CCN1C(=O)N=NC1S[C@H]1CCc2ccc(Cl)cc21 ZINC000342561718 1016766904 /nfs/dbraw/zinc/76/69/04/1016766904.db2.gz HYDNZMMQXSSNOW-LBPRGKRZSA-N 0 1 307.806 3.603 20 30 DHEDMN C=C[C@@H](CC)CC(=O)N1CCN([C@@H](CC)c2ccccc2)CC1 ZINC001126577632 1016872874 /nfs/dbraw/zinc/87/28/74/1016872874.db2.gz SUMHOZNJMNEZJD-HKUYNNGSSA-N 0 1 314.473 3.884 20 30 DHEDMN C=CC[C@@H]1N(C(=O)[C@@H]2C[C@@H](C)Cc3c[nH]nc32)CCCC1(C)C ZINC000623213496 1016921866 /nfs/dbraw/zinc/92/18/66/1016921866.db2.gz YLKRIUGAPPTPDJ-IMJJTQAJSA-N 0 1 315.461 3.669 20 30 DHEDMN CC(C)N(Cc1ccc(C#N)cc1)Cc1cc(C#N)ccc1F ZINC000339711673 1016953625 /nfs/dbraw/zinc/95/36/25/1016953625.db2.gz XDJOGLPJSBDRMV-UHFFFAOYSA-N 0 1 307.372 3.980 20 30 DHEDMN COc1ccc(-c2n[nH]c(SCc3ccc(C#N)cc3)n2)cc1 ZINC000006141889 1016996846 /nfs/dbraw/zinc/99/68/46/1016996846.db2.gz ZHTDOJDGDILRHG-UHFFFAOYSA-N 0 1 322.393 3.644 20 30 DHEDMN Cc1cc(C#N)ccc1CN(Cc1ccco1)C[C@H]1CCCO1 ZINC000186175056 1017043478 /nfs/dbraw/zinc/04/34/78/1017043478.db2.gz NPJQGYYVKIHXFV-LJQANCHMSA-N 0 1 310.397 3.641 20 30 DHEDMN C#C[C@@H]1CCCN([C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000847027574 1032184599 /nfs/dbraw/zinc/18/45/99/1032184599.db2.gz UTUNSDUBMSIAAI-JKSUJKDBSA-N 0 1 309.413 3.760 20 30 DHEDMN CCc1cccnc1NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC001171275023 1032211207 /nfs/dbraw/zinc/21/12/07/1032211207.db2.gz TVFFJFIMSCHKCO-UHFFFAOYSA-N 0 1 320.440 3.614 20 30 DHEDMN N#Cc1ccc(CNCC#Cc2ccc(C(F)(F)F)cc2)s1 ZINC000176981611 1017070007 /nfs/dbraw/zinc/07/00/07/1017070007.db2.gz ACFJZAJQUHTRCZ-UHFFFAOYSA-N 0 1 320.339 3.780 20 30 DHEDMN CCC(CC)CN(CCC#N)CCC(=O)Nc1ccc(F)cc1 ZINC000362189701 1032266451 /nfs/dbraw/zinc/26/64/51/1032266451.db2.gz XTHGFIUJXLKSIO-UHFFFAOYSA-N 0 1 319.424 3.806 20 30 DHEDMN C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000120104134 1032336148 /nfs/dbraw/zinc/33/61/48/1032336148.db2.gz OZBXSJGPDHECEO-GFCCVEGCSA-N 0 1 310.825 3.574 20 30 DHEDMN C=C(C)CN(CC)[C@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000120104134 1032336159 /nfs/dbraw/zinc/33/61/59/1032336159.db2.gz OZBXSJGPDHECEO-GFCCVEGCSA-N 0 1 310.825 3.574 20 30 DHEDMN C#CCOc1ccccc1CN[C@@H](C)c1cccc(OCC)c1 ZINC000772988510 1032377384 /nfs/dbraw/zinc/37/73/84/1032377384.db2.gz QUOSVQJKDQYPNF-INIZCTEOSA-N 0 1 309.409 3.948 20 30 DHEDMN C#CCOc1ccccc1CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000772988540 1032378125 /nfs/dbraw/zinc/37/81/25/1032378125.db2.gz RDPOXGKNDWGUPL-OAHLLOKOSA-N 0 1 324.380 3.766 20 30 DHEDMN Cc1[nH]nc2cc(NC(=O)c3cccc([C@H](C)C#N)c3)ccc12 ZINC001148618412 1032424265 /nfs/dbraw/zinc/42/42/65/1032424265.db2.gz NMDJXMCNARZVNW-LLVKDONJSA-N 0 1 304.353 3.751 20 30 DHEDMN Cc1nc2c(s1)[C@H](N(C)CC#Cc1ccc(F)cc1)CCC2 ZINC000121398274 1032440473 /nfs/dbraw/zinc/44/04/73/1032440473.db2.gz TUTZGSCCSIDXPL-QGZVFWFLSA-N 0 1 314.429 3.952 20 30 DHEDMN C=CCOc1ccc(C(=O)Nc2ccc3c(C)[nH]nc3c2)cc1 ZINC000091828031 1032459966 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O=C(/C=C/c1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(O)cc1O ZINC000126466243 1012479206 /nfs/dbraw/zinc/47/92/06/1012479206.db2.gz CLAWOIHYGMPUER-QHHAFSJGSA-N 0 1 319.700 3.556 20 30 DHEDMN CCN(C)c1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)cn1 ZINC000425368378 1012499524 /nfs/dbraw/zinc/49/95/24/1012499524.db2.gz WKWQNRUGXDPGJN-HNNXBMFYSA-N 0 1 308.429 3.602 20 30 DHEDMN CC(=NNc1ccc(F)cn1)c1ccc(F)cc1OC(F)F ZINC000748076333 1012525355 /nfs/dbraw/zinc/52/53/55/1012525355.db2.gz UBBMEOIEHKEBAN-UHFFFAOYSA-N 0 1 313.254 3.797 20 30 DHEDMN CCCCCC(=Cc1ccccc1)CN=Nc1nccn(C)c1=O ZINC000748081178 1012597459 /nfs/dbraw/zinc/59/74/59/1012597459.db2.gz SXGIMSKPKWKWHO-XXRMPNRHSA-N 0 1 324.428 3.842 20 30 DHEDMN COc1ccc(C#N)cc1CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425538140 1012736690 /nfs/dbraw/zinc/73/66/90/1012736690.db2.gz ROTYTJMDABHJRG-AWEZNQCLSA-N 0 1 305.381 3.632 20 30 DHEDMN CCn1cc(C(=O)C(C#N)c2nc(C)cs2)c2ccccc21 ZINC000047358006 1012851783 /nfs/dbraw/zinc/85/17/83/1012851783.db2.gz ARDKKWJEJCFWOL-CYBMUJFWSA-N 0 1 309.394 3.916 20 30 DHEDMN CCCN(Cc1ccc(C#N)cc1)Cc1cc(OC)cc(C)n1 ZINC000339839929 1012922861 /nfs/dbraw/zinc/92/28/61/1012922861.db2.gz BLAUFLQQYVSLNO-UHFFFAOYSA-N 0 1 309.413 3.683 20 30 DHEDMN CCO[C@H](CC(=O)Nc1nc(-c2ccco2)n[nH]1)C1=CCCC1 ZINC000073075540 1017134774 /nfs/dbraw/zinc/13/47/74/1017134774.db2.gz PBWBJJXTDDULEL-CYBMUJFWSA-N 0 1 316.361 3.558 20 30 DHEDMN C=CCCC[N@H+](C)[C@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000076736651 1017434648 /nfs/dbraw/zinc/43/46/48/1017434648.db2.gz LOZMLUFDWCCGCV-LLVKDONJSA-N 0 1 305.447 3.560 20 30 DHEDMN C=CCCCN(C)[C@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000076736651 1017434656 /nfs/dbraw/zinc/43/46/56/1017434656.db2.gz LOZMLUFDWCCGCV-LLVKDONJSA-N 0 1 305.447 3.560 20 30 DHEDMN N#Cc1cccc(CN(Cc2cccs2)[C@H]2C=C[C@@H](CO)C2)c1 ZINC000347335960 1017497398 /nfs/dbraw/zinc/49/73/98/1017497398.db2.gz KCIIJFCVBPGHGH-MSOLQXFVSA-N 0 1 324.449 3.559 20 30 DHEDMN C=CC[C@@H]1N(Cc2nc(CC(F)(F)F)no2)CCCC1(C)C ZINC000444774278 1017671629 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ZINC000764668389 1018344642 /nfs/dbraw/zinc/34/46/42/1018344642.db2.gz ZYYLUBBZDWGMFP-UHFFFAOYSA-N 0 1 316.408 3.700 20 30 DHEDMN CC(C)Oc1ccc(C#N)cc1NCc1ccc2nc[nH]c2c1 ZINC000583340567 1018357784 /nfs/dbraw/zinc/35/77/84/1018357784.db2.gz WGXNHLUYSKBMRB-UHFFFAOYSA-N 0 1 306.369 3.834 20 30 DHEDMN CC[C@H](C(=O)[C@@H](C#N)C(=O)NC1CCCC1)C1CCC(C)CC1 ZINC000764755371 1018365043 /nfs/dbraw/zinc/36/50/43/1018365043.db2.gz FIYHEQDWNOKZOK-YQEWQEHLSA-N 0 1 318.461 3.607 20 30 DHEDMN N#Cc1ccc(F)c(CN2CC[C@@H](COCc3ccccc3)C2)c1 ZINC000173980743 1018375517 /nfs/dbraw/zinc/37/55/17/1018375517.db2.gz NVXKAHAVDLBEDH-GOSISDBHSA-N 0 1 324.399 3.736 20 30 DHEDMN Cc1nn(C)c(Cl)c1CN=Nc1c(F)cccc1Cl ZINC000769830381 1018409210 /nfs/dbraw/zinc/40/92/10/1018409210.db2.gz YNDSDDZOWINVNK-UHFFFAOYSA-N 0 1 301.152 3.620 20 30 DHEDMN Oc1c(Cl)cc(Cl)cc1/C=N\CCOCC1CCC1 ZINC000764886511 1018416500 /nfs/dbraw/zinc/41/65/00/1018416500.db2.gz AQWZYLQGXZPVMO-IUXPMGMMSA-N 0 1 302.201 3.935 20 30 DHEDMN CC[C@@H](C#N)Sc1nc(-c2ccccc2Br)n[nH]1 ZINC000127163687 1018470588 /nfs/dbraw/zinc/47/05/88/1018470588.db2.gz UBNLKGPKVXCUMP-QMMMGPOBSA-N 0 1 323.219 3.628 20 30 DHEDMN Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(OCC#N)cc2)n1 ZINC000766135663 1018476890 /nfs/dbraw/zinc/47/68/90/1018476890.db2.gz NBMYBAIKZRBOHW-IBGZPJMESA-N 0 1 307.397 3.630 20 30 DHEDMN Cc1nc(Br)ccc1Nc1cc(C#N)c(F)cc1O ZINC001212565604 1018501249 /nfs/dbraw/zinc/50/12/49/1018501249.db2.gz ATFZUGXTIZWYKY-UHFFFAOYSA-N 0 1 322.137 3.613 20 30 DHEDMN CC[C@@H](C#N)Oc1cccc(CNCc2sccc2OC)c1 ZINC000765246823 1018728610 /nfs/dbraw/zinc/72/86/10/1018728610.db2.gz WZPHZCWZXRRWBY-AWEZNQCLSA-N 0 1 316.426 3.727 20 30 DHEDMN C=CC[N@H+](CCc1ccccc1)CC[C@@H](C(=O)[O-])c1ccccc1 ZINC000565102997 1018934095 /nfs/dbraw/zinc/93/40/95/1018934095.db2.gz HUGJDVHIJATFSU-HXUWFJFHSA-N 0 1 323.436 3.976 20 30 DHEDMN CC[C@@H](NCc1cn2ccc(C)cc2n1)c1ccc(C#N)cc1 ZINC000278624127 1018944165 /nfs/dbraw/zinc/94/41/65/1018944165.db2.gz GLLCBBPRZMUSEJ-GOSISDBHSA-N 0 1 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C=C[C@@](C)(CC)C(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC001128353479 1019478369 /nfs/dbraw/zinc/47/83/69/1019478369.db2.gz VBOLSZJJTIPNAD-ICSRJNTNSA-N 0 1 316.489 3.862 20 30 DHEDMN CC(C)(C#N)CCN1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000611462577 1019490972 /nfs/dbraw/zinc/49/09/72/1019490972.db2.gz SHJUVMMIACKKKX-AOOOYVTPSA-N 0 1 316.289 3.989 20 30 DHEDMN CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ccco2)cc1 ZINC000131459725 1019507969 /nfs/dbraw/zinc/50/79/69/1019507969.db2.gz KWUGZKDRBFLUNR-WFASDCNBSA-N 0 1 310.353 3.754 20 30 DHEDMN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2ccco2)cc1 ZINC000131459725 1019507975 /nfs/dbraw/zinc/50/79/75/1019507975.db2.gz KWUGZKDRBFLUNR-WFASDCNBSA-N 0 1 310.353 3.754 20 30 DHEDMN C[C@@H]1CC[C@@H](C(F)(F)F)CN1CCOc1ccccc1C#N ZINC000611555311 1019514281 /nfs/dbraw/zinc/51/42/81/1019514281.db2.gz WJYRTIPHTBLAJL-TZMCWYRMSA-N 0 1 312.335 3.600 20 30 DHEDMN CCCCCN1c2ccccc2C(=N[N-]c2ccc(C)c[nH+]2)C1=O ZINC000727263031 1019677992 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Cc1ccc(N=NC(C)c2cc(Cl)sc2Cl)nn1 ZINC000729935627 1019925059 /nfs/dbraw/zinc/92/50/59/1019925059.db2.gz HWNWAVYAJOEYTO-UHFFFAOYSA-N 0 1 301.202 3.989 20 30 DHEDMN CC(C)CO[C@@H](C)C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730416432 1019983669 /nfs/dbraw/zinc/98/36/69/1019983669.db2.gz CHARIRGKZZPXNX-CMPLNLGQSA-N 0 1 320.389 3.673 20 30 DHEDMN C=CCCO[C@H](C)C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730421703 1019985060 /nfs/dbraw/zinc/98/50/60/1019985060.db2.gz NLFGSOHYEUHSIV-ZYHUDNBSSA-N 0 1 318.373 3.593 20 30 DHEDMN N#CC(C(=O)C=Cc1ccco1)c1nc2cc(F)ccc2s1 ZINC000730420158 1019985662 /nfs/dbraw/zinc/98/56/62/1019985662.db2.gz AMITYKXGFLXZSW-RXNFCKPNSA-N 0 1 312.325 3.918 20 30 DHEDMN Clc1nc(Cl)c(CN=Nc2cnc3ccccc3n2)s1 ZINC000755682908 1020005548 /nfs/dbraw/zinc/00/55/48/1020005548.db2.gz LSJJOIQAIFOBPP-UHFFFAOYSA-N 0 1 324.196 3.839 20 30 DHEDMN CN(C)[C@@H](CNc1ccc(C#N)c(C(F)(F)F)c1)c1ccco1 ZINC000068658507 1020029249 /nfs/dbraw/zinc/02/92/49/1020029249.db2.gz JPYBJBBHXAKWCO-AWEZNQCLSA-N 0 1 323.318 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304.191 3.907 20 30 DHEDMN CC[N@H+](Cc1ccc(C([O-])=C(C#N)c2ccccn2)cc1)C(C)C ZINC000347740435 1020276546 /nfs/dbraw/zinc/27/65/46/1020276546.db2.gz BPVMNVRZVFTZKO-SFHVURJKSA-N 0 1 321.424 3.802 20 30 DHEDMN CC[N@@H+](Cc1ccc(C([O-])=C(C#N)c2ccccn2)cc1)C(C)C ZINC000347740435 1020276548 /nfs/dbraw/zinc/27/65/48/1020276548.db2.gz BPVMNVRZVFTZKO-SFHVURJKSA-N 0 1 321.424 3.802 20 30 DHEDMN C=CCN(Cc1cccs1)Cc1cccc2nsnc21 ZINC000766001165 1020297413 /nfs/dbraw/zinc/29/74/13/1020297413.db2.gz KYFONCMRYQFNRE-UHFFFAOYSA-N 0 1 301.440 3.941 20 30 DHEDMN CCOc1cccc(CN(CCOC)Cc2ccc(C#N)cc2)c1 ZINC000125738856 1020344599 /nfs/dbraw/zinc/34/45/99/1020344599.db2.gz CLOPLFCMXJZQPO-UHFFFAOYSA-N 0 1 324.424 3.606 20 30 DHEDMN CCN(Cc1ccc(C(=O)OC)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000125770998 1020346259 /nfs/dbraw/zinc/34/62/59/1020346259.db2.gz OFVWYEYADSIETG-ZDUSSCGKSA-N 0 1 312.369 3.521 20 30 DHEDMN C#CCCOc1ccc(CNCc2cc(C)ccc2OC)cc1 ZINC000733322242 1020368639 /nfs/dbraw/zinc/36/86/39/1020368639.db2.gz DUVLNANSYHYNGO-UHFFFAOYSA-N 0 1 309.409 3.696 20 30 DHEDMN C=CCOc1ccc(CNC[C@@H](OC)C(F)(F)F)cc1Cl ZINC000733329069 1020374585 /nfs/dbraw/zinc/37/45/85/1020374585.db2.gz MCAXIKUVFZZQCM-CYBMUJFWSA-N 0 1 323.742 3.572 20 30 DHEDMN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)[C@H](C)C(C)C ZINC000733679362 1020421679 /nfs/dbraw/zinc/42/16/79/1020421679.db2.gz YLPWOVLHERSRID-CZUORRHYSA-N 0 1 314.429 3.751 20 30 DHEDMN N#CC(C(=O)[C@@H]1COc2ccccc21)c1ccc2ccccc2n1 ZINC000733680581 1020423174 /nfs/dbraw/zinc/42/31/74/1020423174.db2.gz XKUMQLWMXZJLNW-JKSUJKDBSA-N 0 1 314.344 3.587 20 30 DHEDMN N#CC(C(=O)[C@@H]1COc2ccccc21)c1ccc2ccccc2n1 ZINC000733680580 1020423762 /nfs/dbraw/zinc/42/37/62/1020423762.db2.gz XKUMQLWMXZJLNW-HZPDHXFCSA-N 0 1 314.344 3.587 20 30 DHEDMN Cc1cc(C(C#N)C(=O)CC[C@@H]2CCc3ccccc32)nc(C)n1 ZINC000892475297 1020430145 /nfs/dbraw/zinc/43/01/45/1020430145.db2.gz JGBCJJGZGNNUHM-FUHWJXTLSA-N 0 1 319.408 3.780 20 30 DHEDMN Fc1ccc2[nH]cc(C=NNc3cnnc4ccccc43)c2c1 ZINC000733747801 1020436899 /nfs/dbraw/zinc/43/68/99/1020436899.db2.gz SXIBQYPHYLONSN-UHFFFAOYSA-N 0 1 305.316 3.696 20 30 DHEDMN C=CCOc1ccc(CN=Nc2cnnc3ccccc23)cc1 ZINC000733750428 1020437181 /nfs/dbraw/zinc/43/71/81/1020437181.db2.gz YXKLIQVYJLXHHU-UHFFFAOYSA-N 0 1 304.353 3.641 20 30 DHEDMN N#Cc1ccc(O)c(NC(=O)c2cc3ccccc3c(Cl)n2)c1 ZINC000179728624 1020438318 /nfs/dbraw/zinc/43/83/18/1020438318.db2.gz LZLFEJAPPXPDKV-UHFFFAOYSA-N 0 1 323.739 3.718 20 30 DHEDMN C=CCOc1cccc(NC(=O)c2cc(F)cc3[nH]cnc32)c1 ZINC000055722558 1020457471 /nfs/dbraw/zinc/45/74/71/1020457471.db2.gz SLWRAALVMQBWRJ-UHFFFAOYSA-N 0 1 311.316 3.519 20 30 DHEDMN CC(=NNc1c(Cl)cc(F)cc1Cl)c1ccnn1C ZINC000766028632 1020479543 /nfs/dbraw/zinc/47/95/43/1020479543.db2.gz DRFOWSWWEYTMSA-UHFFFAOYSA-N 0 1 301.152 3.702 20 30 DHEDMN Cc1cccc(NC(=O)C(C#N)C(=O)CC(C)(C)CC(F)F)c1 ZINC000892494488 1020551296 /nfs/dbraw/zinc/55/12/96/1020551296.db2.gz FJFHQIZUPYWZQC-ZDUSSCGKSA-N 0 1 322.355 3.714 20 30 DHEDMN COc1ccc(C(C)=NNc2cc(F)c(F)cc2F)cc1OC ZINC000734301825 1020583308 /nfs/dbraw/zinc/58/33/08/1020583308.db2.gz RBMZBSOWKOVSLG-UHFFFAOYSA-N 0 1 324.302 3.957 20 30 DHEDMN N#Cc1ccc(CN2CCC(c3ccccc3CO)CC2)cc1F ZINC000365265400 1020587650 /nfs/dbraw/zinc/58/76/50/1020587650.db2.gz ILNXIYQNPCTMRQ-UHFFFAOYSA-N 0 1 324.399 3.569 20 30 DHEDMN CCOc1cccc2cc([C@@H](C)NCc3ccnc(C#N)c3)oc21 ZINC000612494674 1020588504 /nfs/dbraw/zinc/58/85/04/1020588504.db2.gz LPUAUAMMEVGETI-CYBMUJFWSA-N 0 1 321.380 3.949 20 30 DHEDMN N#C[C@H](C(=O)c1conc1C1CC1)c1ccc2ccccc2n1 ZINC000685783321 1020616212 /nfs/dbraw/zinc/61/62/12/1020616212.db2.gz LFMPPGBKLPXTKQ-ZDUSSCGKSA-N 0 1 303.321 3.590 20 30 DHEDMN N#CC(C(=O)c1conc1C1CC1)c1ccc2ccccc2n1 ZINC000685783321 1020616219 /nfs/dbraw/zinc/61/62/19/1020616219.db2.gz LFMPPGBKLPXTKQ-ZDUSSCGKSA-N 0 1 303.321 3.590 20 30 DHEDMN C[C@@H](C#N)CNCc1cn(Cc2ccccc2)c2ccccc12 ZINC000612586548 1020632017 /nfs/dbraw/zinc/63/20/17/1020632017.db2.gz DLKLDDFXDCOYRT-INIZCTEOSA-N 0 1 303.409 3.939 20 30 DHEDMN CC(C)c1ccccc1NC(=O)C[C@@H](C)NCC(C)(C)C#N ZINC000612584961 1020632292 /nfs/dbraw/zinc/63/22/92/1020632292.db2.gz KLQVFFMUQZUVLK-CQSZACIVSA-N 0 1 301.434 3.666 20 30 DHEDMN CC(C)c1ccccc1NC(=O)C[C@H](C)NCC(C)(C)C#N ZINC000612584960 1020632612 /nfs/dbraw/zinc/63/26/12/1020632612.db2.gz KLQVFFMUQZUVLK-AWEZNQCLSA-N 0 1 301.434 3.666 20 30 DHEDMN COC[C@@H]1CCCCN(Cc2ccc(F)c(C#N)c2Cl)C1 ZINC000365469138 1020636488 /nfs/dbraw/zinc/63/64/88/1020636488.db2.gz VWMJKVQGXAUWLN-GFCCVEGCSA-N 0 1 310.800 3.599 20 30 DHEDMN C=CCN(CC[S@](=O)c1cc(Cl)ccc1Cl)C(C)C ZINC000735491063 1020738912 /nfs/dbraw/zinc/73/89/12/1020738912.db2.gz BZVVWRZCEDNDRF-IBGZPJMESA-N 0 1 320.285 3.997 20 30 DHEDMN C[C@@H](C#N)Oc1ccc(CN[C@@H]2CSc3ccccc32)cc1 ZINC000735508812 1020741681 /nfs/dbraw/zinc/74/16/81/1020741681.db2.gz ONMUSTMHGKSAIT-SUMWQHHRSA-N 0 1 310.422 3.914 20 30 DHEDMN N#CC(C(=O)[C@@H]1CSc2ccccc21)c1nc2ccccc2[nH]1 ZINC000735765275 1020766291 /nfs/dbraw/zinc/76/62/91/1020766291.db2.gz LHDUYSHQDVERNJ-CHWSQXEVSA-N 0 1 319.389 3.629 20 30 DHEDMN CCc1ccc(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)s1 ZINC000735790638 1020767063 /nfs/dbraw/zinc/76/70/63/1020767063.db2.gz OGSFQHBSBYYRDZ-GFCCVEGCSA-N 0 1 309.394 3.985 20 30 DHEDMN Cc1cccc2nc([C@H](C#N)C(=O)C=Cc3cccc(F)c3)[nH]c21 ZINC000735791524 1020767924 /nfs/dbraw/zinc/76/79/24/1020767924.db2.gz QQQKORVGMBSIFU-XVJNWHFHSA-N 0 1 319.339 3.900 20 30 DHEDMN CCS[C@@H](C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1)C(C)C ZINC000735792023 1020769685 /nfs/dbraw/zinc/76/96/85/1020769685.db2.gz GPFDCXWDPHTHHC-BLLLJJGKSA-N 0 1 315.442 3.825 20 30 DHEDMN CC(C)CCSCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000066516451 1020903469 /nfs/dbraw/zinc/90/34/69/1020903469.db2.gz NSMQOBLKMXNSNA-LBPRGKRZSA-N 0 1 302.399 3.783 20 30 DHEDMN CC(C)(C)c1n[nH]cc1C=NNc1cccc(C(F)(F)F)n1 ZINC000739421466 1020908218 /nfs/dbraw/zinc/90/82/18/1020908218.db2.gz JIYFSOBJNYNLPH-UHFFFAOYSA-N 0 1 311.311 3.567 20 30 DHEDMN C=CCCCCCN(C)CN1C[C@H](c2ccccc2C)CC1=O ZINC000739885292 1020919843 /nfs/dbraw/zinc/91/98/43/1020919843.db2.gz OTUQPFSKVAPLES-GOSISDBHSA-N 0 1 314.473 3.947 20 30 DHEDMN C=CCC[C@H](CO)N[C@@H](C)c1csc(-c2ccccc2)n1 ZINC000414138868 1020928914 /nfs/dbraw/zinc/92/89/14/1020928914.db2.gz FVONLIRGPUXHCS-DZGCQCFKSA-N 0 1 302.443 3.788 20 30 DHEDMN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1csc(-c2ccccc2)n1 ZINC000414157613 1020948458 /nfs/dbraw/zinc/94/84/58/1020948458.db2.gz YDRFCUBSCMKOQD-XPKDYRNWSA-N 0 1 300.427 3.804 20 30 DHEDMN CC1(C)[C@H](/N=C\c2cc(Cl)cc(Cl)c2O)[C@@H]2CCO[C@@H]21 ZINC000741165330 1020987054 /nfs/dbraw/zinc/98/70/54/1020987054.db2.gz KSNMIFDNAFVHPZ-NPTPBABGSA-N 0 1 314.212 3.931 20 30 DHEDMN CCc1ccccc1CN1CCN(c2ccsc2C#N)CC1 ZINC001171936958 1032943757 /nfs/dbraw/zinc/94/37/57/1032943757.db2.gz ISOLEXYHAVSAHW-UHFFFAOYSA-N 0 1 311.454 3.504 20 30 DHEDMN CCn1c2ccccc2nc1C(C)N=Nc1cccc([N+](=O)[O-])c1 ZINC000741451108 1021007047 /nfs/dbraw/zinc/00/70/47/1021007047.db2.gz BXNSFEGPVALVBE-UHFFFAOYSA-N 0 1 323.356 3.801 20 30 DHEDMN c1cc(CN=Nc2nc(-c3ccccn3)nc3c2CCC3)cs1 ZINC000741813304 1021056308 /nfs/dbraw/zinc/05/63/08/1021056308.db2.gz MUTLPQLHOVJYGM-UHFFFAOYSA-N 0 1 321.409 3.535 20 30 DHEDMN COc1cccc2cc(CNCc3ccc(OC)c(C#N)c3)oc21 ZINC000742369581 1021112052 /nfs/dbraw/zinc/11/20/52/1021112052.db2.gz MHGWZABKRPSDAZ-UHFFFAOYSA-N 0 1 322.364 3.611 20 30 DHEDMN C=CCc1cc(CNCc2c(C)cccc2F)cc(OC)c1O ZINC000742380340 1021116449 /nfs/dbraw/zinc/11/64/49/1021116449.db2.gz LXTBXSRTKAZCIG-UHFFFAOYSA-N 0 1 315.388 3.867 20 30 DHEDMN N#Cc1cccc(Cl)c1NCc1n[nH]c(-c2ccccc2)n1 ZINC000742399572 1021120571 /nfs/dbraw/zinc/12/05/71/1021120571.db2.gz RVRMMQNFMKNZAO-UHFFFAOYSA-N 0 1 309.760 3.609 20 30 DHEDMN N#Cc1cccc(Cl)c1NCc1nc(-c2ccccc2)n[nH]1 ZINC000742399572 1021120575 /nfs/dbraw/zinc/12/05/75/1021120575.db2.gz RVRMMQNFMKNZAO-UHFFFAOYSA-N 0 1 309.760 3.609 20 30 DHEDMN CCOc1cccc([C@@H](C)NCc2cc(C#N)ccc2OC)c1 ZINC000180681467 1021145464 /nfs/dbraw/zinc/14/54/64/1021145464.db2.gz QDRLUSYEJCDEKB-CQSZACIVSA-N 0 1 310.397 3.816 20 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DHEDMN COc1cc(CN[C@H]2CSCc3ccccc32)ccc1C#N ZINC000619652546 1021820559 /nfs/dbraw/zinc/82/05/59/1021820559.db2.gz HBMBNDWFIQAIKJ-KRWDZBQOSA-N 0 1 310.422 3.645 20 30 DHEDMN COc1cc(CN2CCC[C@H]2c2ccc(O)cc2)ccc1C#N ZINC000619674373 1021824000 /nfs/dbraw/zinc/82/40/00/1021824000.db2.gz RJKDHVCYJKUYSH-SFHVURJKSA-N 0 1 308.381 3.610 20 30 DHEDMN CC(C)c1nn(C)cc1C(=O)[C@@H](C#N)c1ccc2ccccc2n1 ZINC000619752943 1021864540 /nfs/dbraw/zinc/86/45/40/1021864540.db2.gz GGENRMQUFYBCTE-AWEZNQCLSA-N 0 1 318.380 3.582 20 30 DHEDMN CC(C)c1nn(C)cc1C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000619752943 1021864556 /nfs/dbraw/zinc/86/45/56/1021864556.db2.gz GGENRMQUFYBCTE-AWEZNQCLSA-N 0 1 318.380 3.582 20 30 DHEDMN C=CCc1cc(OCC)cc(CN(CCC#N)CC(C)C)c1O ZINC000919944225 1021982611 /nfs/dbraw/zinc/98/26/11/1021982611.db2.gz ABFLYTKXBKUGSD-UHFFFAOYSA-N 0 1 316.445 3.891 20 30 DHEDMN CC(=NNc1cccc(F)c1F)c1ccc([S@](C)=O)cc1 ZINC000746372524 1022051520 /nfs/dbraw/zinc/05/15/20/1022051520.db2.gz QLQFHKQERIRKGG-NRFANRHFSA-N 0 1 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OOJGPPBVLPOWQB-UHFFFAOYSA-N 0 1 308.385 3.807 20 30 DHEDMN C=C(Cl)COc1ccc([C@H](C)NCc2ccnn2CC)cc1 ZINC000853239618 1022242619 /nfs/dbraw/zinc/24/26/19/1022242619.db2.gz ISYOGVLEFJEPJC-AWEZNQCLSA-N 0 1 319.836 3.885 20 30 DHEDMN Cc1cc2ccccc2nc1N=NCc1c(C2CCC2)cnn1C ZINC000853330439 1022258715 /nfs/dbraw/zinc/25/87/15/1022258715.db2.gz ZVOLEBJVLGYXCW-UHFFFAOYSA-N 0 1 319.412 3.990 20 30 DHEDMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000416340687 1022268048 /nfs/dbraw/zinc/26/80/48/1022268048.db2.gz KQWFLSJRLYEXAP-INIZCTEOSA-N 0 1 322.412 3.521 20 30 DHEDMN CC(=[NH+][N-]c1nnc(C)n1C)c1ccccc1SC(C)(C)C ZINC000853432567 1022271895 /nfs/dbraw/zinc/27/18/95/1022271895.db2.gz ZBIVLZVTECRIAB-UHFFFAOYSA-N 0 1 317.462 3.850 20 30 DHEDMN COCCc1nc(C)c(C(C)=NNc2ccc(Cl)cn2)s1 ZINC000853437618 1022273642 /nfs/dbraw/zinc/27/36/42/1022273642.db2.gz PZOGBRFGIHBMDA-UHFFFAOYSA-N 0 1 324.837 3.525 20 30 DHEDMN N#CC(C(=O)CCC1CCC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000175112552 1022293951 /nfs/dbraw/zinc/29/39/51/1022293951.db2.gz KIZHBDJFBGNZCQ-LBPRGKRZSA-N 0 1 322.767 3.707 20 30 DHEDMN CC(C)[C@H](C#N)N1CCN(CCc2ccc3ccccc3c2)CC1 ZINC000609625423 1022314909 /nfs/dbraw/zinc/31/49/09/1022314909.db2.gz LURDFQFTHHFELW-NRFANRHFSA-N 0 1 321.468 3.548 20 30 DHEDMN C=CCOc1ccc(CN(Cc2cn(C)cn2)C(C)(C)C)cc1 ZINC000660006346 1022336192 /nfs/dbraw/zinc/33/61/92/1022336192.db2.gz WQGIJZLAQDCQLI-UHFFFAOYSA-N 0 1 313.445 3.786 20 30 DHEDMN C[C@@H]1c2ccc(F)cc2CCN1CCOc1cccc(C#N)c1 ZINC000610003617 1022400326 /nfs/dbraw/zinc/40/03/26/1022400326.db2.gz BQOCVZJQJGTYGN-CQSZACIVSA-N 0 1 310.372 3.695 20 30 DHEDMN CCCCCCCCCNC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000766846239 1022549173 /nfs/dbraw/zinc/54/91/73/1022549173.db2.gz OWYOUZWTMAFZMB-HNNXBMFYSA-N 0 1 306.454 3.837 20 30 DHEDMN C=CC[C@@H]1[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])CCCC1(C)C ZINC001169843463 1022563297 /nfs/dbraw/zinc/56/32/97/1022563297.db2.gz DFLOGMZKYFIEOJ-INIZCTEOSA-N 0 1 304.390 3.867 20 30 DHEDMN C#CCOc1ccccc1CNCc1cc2cc(OC)ccc2o1 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C#CCOc1ccc([C@@H](C)NCc2cn3cc(C)ccc3n2)cc1 ZINC000268858228 1024179315 /nfs/dbraw/zinc/17/93/15/1024179315.db2.gz ITUSYKUCIMSCRC-MRXNPFEDSA-N 0 1 319.408 3.506 20 30 DHEDMN C[C@@H](CCCC#N)NC1(c2ccccc2C(F)(F)F)COC1 ZINC001172484068 1033194878 /nfs/dbraw/zinc/19/48/78/1033194878.db2.gz XAQLYRBDIRKUAQ-LBPRGKRZSA-N 0 1 312.335 3.603 20 30 DHEDMN Fc1cc(F)c(NN=Cc2nccn2-c2ccccc2)cc1F ZINC000790164651 1024234191 /nfs/dbraw/zinc/23/41/91/1024234191.db2.gz UHBVIJXNKPXNON-UHFFFAOYSA-N 0 1 316.286 3.736 20 30 DHEDMN Cc1cccnc1NN=Cc1ccccc1OCc1ccccn1 ZINC000790185562 1024237172 /nfs/dbraw/zinc/23/71/72/1024237172.db2.gz FZENOWYHIAEIKV-UHFFFAOYSA-N 0 1 318.380 3.810 20 30 DHEDMN C#Cc1ccc(CNCc2cn(C)nc2C2CCCCC2)cc1 ZINC000883132258 1024253813 /nfs/dbraw/zinc/25/38/13/1024253813.db2.gz KTVDUZCUEROMCT-UHFFFAOYSA-N 0 1 307.441 3.739 20 30 DHEDMN C=CCC[C@H](NC(=O)N[C@@H]1CCCc2cn[nH]c21)c1ccccc1 ZINC000269344147 1024266733 /nfs/dbraw/zinc/26/67/33/1024266733.db2.gz JQAOFMZNQWEKPE-DLBZAZTESA-N 0 1 324.428 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N#C[C@H](C(=O)C=C(C1CC1)C1CC1)c1cnc2ccccc2n1 ZINC000792113412 1024627153 /nfs/dbraw/zinc/62/71/53/1024627153.db2.gz HNPHVDSEQXPDJN-HNNXBMFYSA-N 0 1 303.365 3.552 20 30 DHEDMN N#C[C@H](C(=O)[C@H]1COc2ccccc21)c1nccc2ccccc21 ZINC000792094966 1024631536 /nfs/dbraw/zinc/63/15/36/1024631536.db2.gz RCYCGINHVSMHJV-IRXDYDNUSA-N 0 1 314.344 3.587 20 30 DHEDMN C[C@@H](CCCC#N)N1CCc2cc(Br)ccc2C1 ZINC001172494874 1033226187 /nfs/dbraw/zinc/22/61/87/1033226187.db2.gz YYMWOJSPSYRPCM-LBPRGKRZSA-N 0 1 307.235 3.890 20 30 DHEDMN Cc1ccc([N+](=O)[O-])cc1N=NC(C)c1nc2ccccc2n1C ZINC000747061844 1024651044 /nfs/dbraw/zinc/65/10/44/1024651044.db2.gz MVHUXXRAAQAGRY-UHFFFAOYSA-N 0 1 323.356 3.626 20 30 DHEDMN Cc1ccc2c(n1)N(CC1CC1)CCN([C@@H](C)CCCC#N)C2 ZINC001172500110 1033227926 /nfs/dbraw/zinc/22/79/26/1033227926.db2.gz WWOBCGVNLIICEL-INIZCTEOSA-N 0 1 312.461 3.504 20 30 DHEDMN C#CCCCCCC(=O)Nc1nc(-c2cc3ccccc3o2)n[nH]1 ZINC000792480329 1024673630 /nfs/dbraw/zinc/67/36/30/1024673630.db2.gz AAWMWHWBMMGEOR-UHFFFAOYSA-N 0 1 322.368 3.740 20 30 DHEDMN Cc1ccc([C@H]2CCCN2Cc2cnc3ccc(C#N)cn23)cc1 ZINC000349792740 1024753640 /nfs/dbraw/zinc/75/36/40/1024753640.db2.gz YYUVITPHNRZZNK-LJQANCHMSA-N 0 1 316.408 3.852 20 30 DHEDMN N#Cc1ccc(CN2CC=C(c3c[nH]c4ncccc34)CC2)s1 ZINC000349992932 1024778860 /nfs/dbraw/zinc/77/88/60/1024778860.db2.gz VQEFKQDFYMQVQM-UHFFFAOYSA-N 0 1 320.421 3.785 20 30 DHEDMN C[C@@H](NCc1cccc(OCCCC#N)c1)c1ccncc1F ZINC000337948551 1033244625 /nfs/dbraw/zinc/24/46/25/1033244625.db2.gz HXSWYJVLYMIORU-CQSZACIVSA-N 0 1 313.376 3.754 20 30 DHEDMN COC(=O)c1ccc(Nc2c(Cl)ccc(O)c2F)c(C#N)c1 ZINC001214565066 1024917806 /nfs/dbraw/zinc/91/78/06/1024917806.db2.gz VZABBKUIOPELBW-UHFFFAOYSA-N 0 1 320.707 3.587 20 30 DHEDMN Cc1ccc(C(C)N=Nc2cccc(Cl)n2)cc1[N+](=O)[O-] ZINC000793174104 1024922511 /nfs/dbraw/zinc/92/25/11/1024922511.db2.gz JDSWIXPYVYKDJY-UHFFFAOYSA-N 0 1 304.737 3.788 20 30 DHEDMN COc1ccccc1O[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000353266838 1025007813 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ZINC000353912777 1025288852 /nfs/dbraw/zinc/28/88/52/1025288852.db2.gz GKMHQXSXFXVRKN-LJQANCHMSA-N 0 1 309.413 3.923 20 30 DHEDMN C=CCSc1ccccc1C(=O)NCc1ccc2cncn2c1 ZINC001129554137 1025324324 /nfs/dbraw/zinc/32/43/24/1025324324.db2.gz OTFZXLLTCMIUMB-UHFFFAOYSA-N 0 1 323.421 3.542 20 30 DHEDMN N#Cc1ccc2ncc(CN3CCC[C@H]3c3ccccc3)n2c1 ZINC000123650660 1025392094 /nfs/dbraw/zinc/39/20/94/1025392094.db2.gz JKKVLNZIXFORDK-SFHVURJKSA-N 0 1 302.381 3.543 20 30 DHEDMN C=CCCC1(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000354398724 1025421376 /nfs/dbraw/zinc/42/13/76/1025421376.db2.gz VRDCLXVNGLXFFM-SFHVURJKSA-N 0 1 312.457 3.514 20 30 DHEDMN Cc1cc(C#N)ccc1C(=O)Nc1cc(Cl)c(O)cc1F ZINC000805260244 1025569199 /nfs/dbraw/zinc/56/91/99/1025569199.db2.gz PETWOFFEESNHGJ-UHFFFAOYSA-N 0 1 304.708 3.617 20 30 DHEDMN CCc1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)sc1C ZINC000046706396 1025591784 /nfs/dbraw/zinc/59/17/84/1025591784.db2.gz KDKPIFOISORIIQ-GFCCVEGCSA-N 0 1 309.394 3.985 20 30 DHEDMN CC(C)c1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)nc1 ZINC000355121715 1025609828 /nfs/dbraw/zinc/60/98/28/1025609828.db2.gz WEWJQMKSJZJKOY-ZDUSSCGKSA-N 0 1 304.353 3.571 20 30 DHEDMN CCCc1cc(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)ccn1 ZINC000355163084 1025618778 /nfs/dbraw/zinc/61/87/78/1025618778.db2.gz ARAAGMSVUPRKMV-OAHLLOKOSA-N 0 1 318.380 3.709 20 30 DHEDMN CCc1c(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)ccn1C ZINC000355164795 1025621682 /nfs/dbraw/zinc/62/16/82/1025621682.db2.gz CJELOIMQMPASEP-LBPRGKRZSA-N 0 1 301.415 3.657 20 30 DHEDMN CCc1c(C(=O)C(C#N)c2nc(C(C)C)cs2)ccn1C ZINC000355164795 1025621688 /nfs/dbraw/zinc/62/16/88/1025621688.db2.gz CJELOIMQMPASEP-LBPRGKRZSA-N 0 1 301.415 3.657 20 30 DHEDMN N#CC(C(=O)c1cscc1-c1ccccc1)c1ccncn1 ZINC000355206443 1025635268 /nfs/dbraw/zinc/63/52/68/1025635268.db2.gz OVSDFJOSLGVFPN-ZDUSSCGKSA-N 0 1 305.362 3.695 20 30 DHEDMN CCn1nc(C)c(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1C ZINC000355350356 1025687078 /nfs/dbraw/zinc/68/70/78/1025687078.db2.gz BTAZASYUTBIZTJ-UHFFFAOYSA-N 0 1 320.440 3.681 20 30 DHEDMN CCn1nc(C)c(CN2CC=C(c3ccc(C#N)cc3)CC2)c1C ZINC000355350356 1025687088 /nfs/dbraw/zinc/68/70/88/1025687088.db2.gz BTAZASYUTBIZTJ-UHFFFAOYSA-N 0 1 320.440 3.681 20 30 DHEDMN COc1cc([C@H](C)NCc2ccc(SC)c(C#N)c2)ccn1 ZINC000886689843 1025791463 /nfs/dbraw/zinc/79/14/63/1025791463.db2.gz IUZGDCNVGLBDJR-LBPRGKRZSA-N 0 1 313.426 3.535 20 30 DHEDMN C=CCC1(O)CCN(Cc2cccc(Br)c2C)CC1 ZINC000886776962 1025897148 /nfs/dbraw/zinc/89/71/48/1025897148.db2.gz UQQIAVFLGGVSGN-UHFFFAOYSA-N 0 1 324.262 3.661 20 30 DHEDMN N#Cc1ccc(CN2CCC(CCc3ccc(O)cc3)CC2)o1 ZINC000536633184 1025906033 /nfs/dbraw/zinc/90/60/33/1025906033.db2.gz DOGLNUCJUKCMIV-UHFFFAOYSA-N 0 1 310.397 3.702 20 30 DHEDMN C=CCOc1ccccc1CN1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000356522245 1026070103 /nfs/dbraw/zinc/07/01/03/1026070103.db2.gz IJEQUARLERDPHX-RBUKOAKNSA-N 0 1 313.441 3.785 20 30 DHEDMN N#Cc1ccc(OC2CCN(Cc3ccsc3)CC2)c(F)c1 ZINC000289671534 1026122645 /nfs/dbraw/zinc/12/26/45/1026122645.db2.gz NPUGRFKVMBCNAO-UHFFFAOYSA-N 0 1 316.401 3.802 20 30 DHEDMN C=C(C)C[C@@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807838171 1026132229 /nfs/dbraw/zinc/13/22/29/1026132229.db2.gz KDMHGSKEKOGCGF-SECBINFHSA-N 0 1 302.201 3.918 20 30 DHEDMN CC(C)(C)CCC(=NNCCN1CCCCC1)c1cscn1 ZINC000807964847 1026162152 /nfs/dbraw/zinc/16/21/52/1026162152.db2.gz YWIYKAULIGTTQD-UHFFFAOYSA-N 0 1 322.522 3.749 20 30 DHEDMN CC(=[NH+][N-]c1ncn[nH]1)c1ccc2c(c1)Nc1ccccc1S2 ZINC000807997273 1026171303 /nfs/dbraw/zinc/17/13/03/1026171303.db2.gz ICJJPUWSGVCKQT-UHFFFAOYSA-N 0 1 322.397 3.849 20 30 DHEDMN N#Cc1ccc(-c2ccn(C[N@H+]3CCC[C@H](C4CC4)C3)n2)cc1 ZINC000808230524 1026237486 /nfs/dbraw/zinc/23/74/86/1026237486.db2.gz JUIXMWLZDYMTBM-SFHVURJKSA-N 0 1 306.413 3.501 20 30 DHEDMN C#Cc1ccc(CN[C@@H](CO)c2ccc(C(F)(F)F)cc2)cc1 ZINC000809630519 1026577858 /nfs/dbraw/zinc/57/78/58/1026577858.db2.gz WWHCBSKZSKMFFJ-KRWDZBQOSA-N 0 1 319.326 3.510 20 30 DHEDMN C#CCN(Cc1cnc(-c2ccccc2)[nH]1)Cc1ccccc1 ZINC000809716549 1026602198 /nfs/dbraw/zinc/60/21/98/1026602198.db2.gz PRPQBDIXYHWJJR-UHFFFAOYSA-N 0 1 301.393 3.712 20 30 DHEDMN CCCCCCCCNC(=O)c1cn[nH]c1-c1ccccn1 ZINC000810729116 1026840941 /nfs/dbraw/zinc/84/09/41/1026840941.db2.gz RFNOROKNSIWPIX-UHFFFAOYSA-N 0 1 300.406 3.562 20 30 DHEDMN C=CCOc1ccc(CN2CC[C@@H](O)CC23CCC3)cc1Cl ZINC000421376987 1026970295 /nfs/dbraw/zinc/97/02/95/1026970295.db2.gz SKKKVWADGMMYCW-OAHLLOKOSA-N 0 1 321.848 3.784 20 30 DHEDMN C#C[C@@H](NCc1ccc(OCC)cc1O)c1ccc(Cl)cc1 ZINC000811516221 1027029753 /nfs/dbraw/zinc/02/97/53/1027029753.db2.gz GZWLIWJAOZCKIT-QGZVFWFLSA-N 0 1 315.800 3.908 20 30 DHEDMN N#Cc1ccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000421880563 1027077694 /nfs/dbraw/zinc/07/76/94/1027077694.db2.gz OLVLIVZISRLHOR-MRXNPFEDSA-N 0 1 313.382 3.695 20 30 DHEDMN C=CC[C@@H](CC)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805438985 1027185465 /nfs/dbraw/zinc/18/54/65/1027185465.db2.gz GROXCBCRNCTKJR-LLVKDONJSA-N 0 1 317.216 3.853 20 30 DHEDMN N#CCc1cccc(C(=O)Nc2nc3ccc(Cl)cc3[nH]2)c1 ZINC001133186639 1027198405 /nfs/dbraw/zinc/19/84/05/1027198405.db2.gz AFHFLJHWNNEMTJ-UHFFFAOYSA-N 0 1 310.744 3.535 20 30 DHEDMN C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC000362435474 1027204646 /nfs/dbraw/zinc/20/46/46/1027204646.db2.gz UJZCEBFADXNALH-WBVHZDCISA-N 0 1 316.445 3.562 20 30 DHEDMN C=CCN(CC=C)C(=O)CN1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC000362435474 1027204664 /nfs/dbraw/zinc/20/46/64/1027204664.db2.gz UJZCEBFADXNALH-WBVHZDCISA-N 0 1 316.445 3.562 20 30 DHEDMN COc1ccc(F)cc1C=NNc1nccc2sccc21 ZINC000812226235 1027208067 /nfs/dbraw/zinc/20/80/67/1027208067.db2.gz APDMPWDFLPGQSJ-UHFFFAOYSA-N 0 1 301.346 3.890 20 30 DHEDMN O=C([O-])c1ccccc1N[NH+]=Cc1ccc(N2CCCCC2)cc1 ZINC000812444819 1027284755 /nfs/dbraw/zinc/28/47/55/1027284755.db2.gz NHORYDQOAOYYAD-UHFFFAOYSA-N 0 1 323.396 3.821 20 30 DHEDMN N#CC1(CCCCN2CCS[C@@H](C(F)(F)F)C2)CCC1 ZINC000932073372 1027356595 /nfs/dbraw/zinc/35/65/95/1027356595.db2.gz NKEDVTQVNSDXAR-GFCCVEGCSA-N 0 1 306.397 3.830 20 30 DHEDMN N#CC1(CCCCN2CCS[C@H](C(F)(F)F)C2)CCC1 ZINC000932073375 1027357112 /nfs/dbraw/zinc/35/71/12/1027357112.db2.gz NKEDVTQVNSDXAR-LBPRGKRZSA-N 0 1 306.397 3.830 20 30 DHEDMN C=CCSc1ccccc1C(=O)N1C[C@@H](C)N(CC)C[C@H]1C ZINC000362830099 1027406906 /nfs/dbraw/zinc/40/69/06/1027406906.db2.gz YPVHTSYXSJMUBQ-HUUCEWRRSA-N 0 1 318.486 3.519 20 30 DHEDMN N#Cc1ccc(CN2CCC[C@@H](Cc3nccs3)C2)c(F)c1 ZINC000932202278 1027409857 /nfs/dbraw/zinc/40/98/57/1027409857.db2.gz IJTHYYMXEBTIDO-AWEZNQCLSA-N 0 1 315.417 3.609 20 30 DHEDMN C#C[C@H](N[C@H](C)CC(=O)Nc1cccc(C)c1)c1ccc(F)cc1 ZINC000812792690 1027410168 /nfs/dbraw/zinc/41/01/68/1027410168.db2.gz DYDRGFJMEJOENZ-BEFAXECRSA-N 0 1 324.399 3.815 20 30 DHEDMN COc1ccc(CN(C)Cc2ccc(C#N)c(C)c2)c(OC)c1 ZINC000362925314 1027448970 /nfs/dbraw/zinc/44/89/70/1027448970.db2.gz SCCBWDIKXHABPP-UHFFFAOYSA-N 0 1 310.397 3.516 20 30 DHEDMN 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Clc1ccnc(N=NCc2cnc(-c3ccncc3)s2)c1 ZINC000777906657 1031807778 /nfs/dbraw/zinc/80/77/78/1031807778.db2.gz ZGXHHJRJPISAJW-UHFFFAOYSA-N 0 1 315.789 3.700 20 30 DHEDMN CCC(=NNc1cc(Cl)ccn1)c1cccc([N+](=O)[O-])c1 ZINC000777906591 1031808027 /nfs/dbraw/zinc/80/80/27/1031808027.db2.gz CLWZCRHJYOFXLZ-UHFFFAOYSA-N 0 1 304.737 3.869 20 30 DHEDMN Clc1ccnc([N-][NH+]=Cc2ccc(N3CCCCC3)o2)c1 ZINC000777905357 1031817714 /nfs/dbraw/zinc/81/77/14/1031817714.db2.gz HVVKGKXIBGRFML-UHFFFAOYSA-N 0 1 304.781 3.764 20 30 DHEDMN C#CC[N@H+](Cc1sccc1C(=O)[O-])[C@@H]1CCc2ccccc21 ZINC001144678224 1031821414 /nfs/dbraw/zinc/82/14/14/1031821414.db2.gz RKFJXTHUWICWKF-MRXNPFEDSA-N 0 1 311.406 3.569 20 30 DHEDMN COc1ccccc1[C@@H]1CC[C@H](C)CN1Cc1cncc(C#N)c1 ZINC000930448427 1031822699 /nfs/dbraw/zinc/82/26/99/1031822699.db2.gz DCJIMFBYLQKMMR-KXBFYZLASA-N 0 1 321.424 3.935 20 30 DHEDMN C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@H]1CCCC2(CCC2)O1 ZINC000930454987 1031826708 /nfs/dbraw/zinc/82/67/08/1031826708.db2.gz JOVFQJGFVAPNAD-QGZVFWFLSA-N 0 1 319.445 3.642 20 30 DHEDMN C=C(C)CN(Cc1ccc(CO)o1)C[C@H]1CCCC2(CCC2)O1 ZINC000930454987 1031826725 /nfs/dbraw/zinc/82/67/25/1031826725.db2.gz JOVFQJGFVAPNAD-QGZVFWFLSA-N 0 1 319.445 3.642 20 30 DHEDMN CCn1cc(C(C)N=Nc2nc3ccc(OC)cc3cc2C)cn1 ZINC000777913071 1031838718 /nfs/dbraw/zinc/83/87/18/1031838718.db2.gz HXWQDXCRQAMFCS-UHFFFAOYSA-N 0 1 323.400 3.604 20 30 DHEDMN CCn1cc(C(C)=NN=c2[nH]c3ccc(OC)cc3cc2C)cn1 ZINC000777913071 1031838731 /nfs/dbraw/zinc/83/87/31/1031838731.db2.gz HXWQDXCRQAMFCS-UHFFFAOYSA-N 0 1 323.400 3.604 20 30 DHEDMN CCC[C@@H](CC)C(=O)C(C#N)C(=O)Nc1ccccc1OCC ZINC000873498565 1031847277 /nfs/dbraw/zinc/84/72/77/1031847277.db2.gz WTMMVNDCYZVCEE-ZIAGYGMSSA-N 0 1 316.401 3.559 20 30 DHEDMN CC(C)OC1(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)CCC1 ZINC000873528760 1031860358 /nfs/dbraw/zinc/86/03/58/1031860358.db2.gz ZDXLLOCAQAMYDK-LBPRGKRZSA-N 0 1 320.458 3.965 20 30 DHEDMN CC(C)OC1(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)CCC1 ZINC000873528759 1031861357 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ZINC000531091915 332256438 /nfs/dbraw/zinc/25/64/38/332256438.db2.gz JFUBNLSRYDGITE-CQSZACIVSA-N 0 1 312.394 3.787 20 30 DHEDMN C=C(C)C[C@@H](C)C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000184978135 335100170 /nfs/dbraw/zinc/10/01/70/335100170.db2.gz SVMBGDGGPFZJFQ-HZPDHXFCSA-N 0 1 304.434 3.525 20 30 DHEDMN Cn1ccnc1[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)C1CC1 ZINC000560575145 332363637 /nfs/dbraw/zinc/36/36/37/332363637.db2.gz VFWDZUSHCRAONJ-RBUKOAKNSA-N 0 1 320.440 3.800 20 30 DHEDMN Cc1c(C#N)cccc1NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000178387749 333009815 /nfs/dbraw/zinc/00/98/15/333009815.db2.gz BOEFWUYSLVZMQJ-UHFFFAOYSA-N 0 1 320.327 3.648 20 30 DHEDMN C=C(C)CN(CC)C(=O)CN[C@H](C)c1cc2ccccc2o1 ZINC000181760328 333032150 /nfs/dbraw/zinc/03/21/50/333032150.db2.gz HMAHJIOCAIKMDP-CQSZACIVSA-N 0 1 300.402 3.508 20 30 DHEDMN C[C@H]1CN(CCCC(C)(C)C#N)C[C@H](c2ccc(F)cc2)O1 ZINC000174874634 333092060 /nfs/dbraw/zinc/09/20/60/333092060.db2.gz ISPQNWYYVJCCLL-WMLDXEAASA-N 0 1 304.409 3.917 20 30 DHEDMN C=CCC(F)(F)C(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000294333509 335121386 /nfs/dbraw/zinc/12/13/86/335121386.db2.gz RTZWTXQDSVVLMA-LURJTMIESA-N 0 1 314.279 3.551 20 30 DHEDMN CC(C)Cc1ncc(CNCc2ccc(OCC#N)cc2)s1 ZINC000178789210 333143958 /nfs/dbraw/zinc/14/39/58/333143958.db2.gz GENHKRGFGJIQKI-UHFFFAOYSA-N 0 1 315.442 3.534 20 30 DHEDMN N#CC1(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CCCC1 ZINC000179852091 333155745 /nfs/dbraw/zinc/15/57/45/333155745.db2.gz KOAAEWKLEVSPOY-UHFFFAOYSA-N 0 1 304.300 3.523 20 30 DHEDMN CC[C@H](CC#N)N[C@@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000184087261 333191820 /nfs/dbraw/zinc/19/18/20/333191820.db2.gz UQJVVUKBUXWKQK-LSDHHAIUSA-N 0 1 301.434 3.809 20 30 DHEDMN Cc1ccc2nc(NC(=O)[C@H](C#N)CCc3ccccc3)[nH]c2c1 ZINC000570952795 333194342 /nfs/dbraw/zinc/19/43/42/333194342.db2.gz PHCBJLAIZNBESB-HNNXBMFYSA-N 0 1 318.380 3.582 20 30 DHEDMN COc1ccc2nc(SCc3cccc(C#N)c3F)[nH]c2c1 ZINC000318656209 333198663 /nfs/dbraw/zinc/19/86/63/333198663.db2.gz IXLZWROPJXKPGS-UHFFFAOYSA-N 0 1 313.357 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O=C(N[C@@H]1CCCc2cn[nH]c21)N[C@H]1CCCCC12CCCC2 ZINC000329620834 336014385 /nfs/dbraw/zinc/01/43/85/336014385.db2.gz MUOCQKZXRLHCKL-CABCVRRESA-N 0 1 316.449 3.794 20 30 DHEDMN CCCC1CCC([NH+]=C([O-])N2CC[C@@H](n3cc(C)cn3)C2)CC1 ZINC000329632531 336020462 /nfs/dbraw/zinc/02/04/62/336020462.db2.gz WJGAPPKRQGOMFA-OFLPRAFFSA-N 0 1 318.465 3.711 20 30 DHEDMN C[C@H](CCC#N)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000351617633 336050809 /nfs/dbraw/zinc/05/08/09/336050809.db2.gz YPPFGIHPBXFSDL-CYBMUJFWSA-N 0 1 311.351 3.520 20 30 DHEDMN C[C@H](CCC#N)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000351637634 336053721 /nfs/dbraw/zinc/05/37/21/336053721.db2.gz AZJYWRLWOHBVNS-CYBMUJFWSA-N 0 1 304.821 3.927 20 30 DHEDMN CCC1CCC(C[NH+]=C([O-])N2CC[C@H](n3cc(C)cn3)C2)CC1 ZINC000329702056 336060231 /nfs/dbraw/zinc/06/02/31/336060231.db2.gz HRXKUKAGOUAOKF-JCYILVPMSA-N 0 1 318.465 3.569 20 30 DHEDMN Cc1cnn([C@@H]2CCCN(C([O-])=[NH+][C@@H]3CC[C@H](C)[C@H](C)C3)C2)c1 ZINC000329801108 336083692 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PHGBAAXMBBQCDJ-UHFFFAOYSA-N 0 1 301.434 3.734 20 30 DHEDMN C=CCC[C@@H](NCc1ccc(C[S@@](C)=O)cc1)c1ccco1 ZINC000353815965 336442188 /nfs/dbraw/zinc/44/21/88/336442188.db2.gz FDMXWRGSTLFCFJ-VGOFRKELSA-N 0 1 317.454 3.955 20 30 DHEDMN N#C[C@H]1CC[C@H](NCc2ccc(Br)cc2Cl)C1 ZINC000472153214 339364430 /nfs/dbraw/zinc/36/44/30/339364430.db2.gz HGYCASIGTGJHCJ-CABZTGNLSA-N 0 1 313.626 3.884 20 30 DHEDMN C[C@H](c1ccccc1Cl)N1CCN(CCCCC#N)CC1 ZINC000120078340 336895644 /nfs/dbraw/zinc/89/56/44/336895644.db2.gz AVSOQUQHHGTWDP-OAHLLOKOSA-N 0 1 305.853 3.712 20 30 DHEDMN COc1cc(CN2C[C@H](C)C[C@@H]2c2cccnc2)ccc1C#N ZINC000375587562 337013928 /nfs/dbraw/zinc/01/39/28/337013928.db2.gz YYLPJJVVFCEKST-RDTXWAMCSA-N 0 1 307.397 3.545 20 30 DHEDMN C[C@@H]1CC[C@H](C)N1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000123076697 337035146 /nfs/dbraw/zinc/03/51/46/337035146.db2.gz OBBAGJZGRQUUQC-GASCZTMLSA-N 0 1 309.413 3.610 20 30 DHEDMN COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C)c(OC)c1 ZINC000193726945 337079266 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N#C[C@@H](C(=O)c1csc(Cl)c1)c1cnc2ccccc2n1 ZINC000190970154 337291916 /nfs/dbraw/zinc/29/19/16/337291916.db2.gz KDPBXMCPGBZLPL-SNVBAGLBSA-N 0 1 313.769 3.835 20 30 DHEDMN N#CC(C(=O)c1csc(Cl)c1)c1cnc2ccccc2n1 ZINC000190970154 337291917 /nfs/dbraw/zinc/29/19/17/337291917.db2.gz KDPBXMCPGBZLPL-SNVBAGLBSA-N 0 1 313.769 3.835 20 30 DHEDMN CCc1oc2ccccc2c1CN(C)Cc1cc(C#N)n(C)c1 ZINC000191193334 337294713 /nfs/dbraw/zinc/29/47/13/337294713.db2.gz GZNSRSZWOOGFAG-UHFFFAOYSA-N 0 1 307.397 3.837 20 30 DHEDMN C[C@@H]1SCCN(Cc2cc(C#N)n(C)c2)[C@@H]1c1ccccc1 ZINC000191384147 337296384 /nfs/dbraw/zinc/29/63/84/337296384.db2.gz JRTWUYWRICAFCD-KSSFIOAISA-N 0 1 311.454 3.575 20 30 DHEDMN Cn1cc(CN[C@H]2CCCOc3c(Cl)cccc32)cc1C#N ZINC000191561776 337299028 /nfs/dbraw/zinc/29/90/28/337299028.db2.gz WKHHAUZUQWXFTJ-INIZCTEOSA-N 0 1 315.804 3.554 20 30 DHEDMN COc1ccc(CN(Cc2ccc(C#N)c(F)c2)C2CC2)cc1 ZINC000191876319 337300757 /nfs/dbraw/zinc/30/07/57/337300757.db2.gz YFGPYNGIIRYSMJ-UHFFFAOYSA-N 0 1 310.372 3.871 20 30 DHEDMN Cc1cccc(NC(=O)[C@H](C)N2CCC(CCC#N)CC2)c1C ZINC000583809867 337336060 /nfs/dbraw/zinc/33/60/60/337336060.db2.gz IUVFVCJLBNSASR-INIZCTEOSA-N 0 1 313.445 3.646 20 30 DHEDMN C=CCN(CCCCCn1cccn1)Cc1ccccc1F ZINC000532930598 337393397 /nfs/dbraw/zinc/39/33/97/337393397.db2.gz FJBYNUFKCHWGMF-UHFFFAOYSA-N 0 1 301.409 3.881 20 30 DHEDMN CC(C)c1nc2cc(NC(=O)c3ccc(C#N)c(O)c3)ccc2o1 ZINC000525956873 337461212 /nfs/dbraw/zinc/46/12/12/337461212.db2.gz LVUKOCWSMPTKIS-UHFFFAOYSA-N 0 1 321.336 3.781 20 30 DHEDMN CCC(C#N)(CC)c1nc(-c2ccc(F)c(CN(C)C)c2)no1 ZINC000528124493 337791238 /nfs/dbraw/zinc/79/12/38/337791238.db2.gz FMNCSMDCZHOPLQ-UHFFFAOYSA-N 0 1 316.380 3.519 20 30 DHEDMN N#C[C@H]1CC[C@@H](NCc2cc(Cl)ccc2Br)C1 ZINC000424202804 337808800 /nfs/dbraw/zinc/80/88/00/337808800.db2.gz SZSQSCLSKDQYRR-JOYOIKCWSA-N 0 1 313.626 3.884 20 30 DHEDMN C=CCn1cc(CN[C@H](c2ccccc2)C2CCCCC2)nn1 ZINC000424290417 337816183 /nfs/dbraw/zinc/81/61/83/337816183.db2.gz BSDYZQUSRSGTFQ-LJQANCHMSA-N 0 1 310.445 3.875 20 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20 30 DHEDMN COc1cc(OC)c([C@@H](C)NCC2(CC#N)CC2)cc1Cl ZINC000430743137 338113111 /nfs/dbraw/zinc/11/31/11/338113111.db2.gz NVYOODGDOFTCFX-LLVKDONJSA-N 0 1 308.809 3.702 20 30 DHEDMN CC(C)(C)c1nc(CSc2cccc(Cl)c2C#N)n[nH]1 ZINC000430982603 338120109 /nfs/dbraw/zinc/12/01/09/338120109.db2.gz SLJPTTFYIYKLMM-UHFFFAOYSA-N 0 1 306.822 3.920 20 30 DHEDMN N#C[C@@H](CCc1ccccc1)C(=O)Nc1cccc(Cl)c1O ZINC000433364084 338193934 /nfs/dbraw/zinc/19/39/34/338193934.db2.gz MQYFDQQSFUIGHO-CYBMUJFWSA-N 0 1 314.772 3.757 20 30 DHEDMN C=CC[C@@H](C(=O)Nc1cc(C(C)=O)ccc1O)c1ccccc1 ZINC000436827635 338288878 /nfs/dbraw/zinc/28/88/78/338288878.db2.gz UWLURTXRNQIJBU-MRXNPFEDSA-N 0 1 309.365 3.893 20 30 DHEDMN N#CC(C(=O)c1cc(-c2ccccc2)ns1)c1ccccn1 ZINC000437385896 338308608 /nfs/dbraw/zinc/30/86/08/338308608.db2.gz ODVHNVUPZRKXJZ-ZDUSSCGKSA-N 0 1 305.362 3.695 20 30 DHEDMN N#Cc1ccc(CN2CCC([C@H]3CCCO3)CC2)c(Cl)c1 ZINC000439287459 338366120 /nfs/dbraw/zinc/36/61/20/338366120.db2.gz WMLNYIKMBAMDAJ-QGZVFWFLSA-N 0 1 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ZINC000512425930 340361548 /nfs/dbraw/zinc/36/15/48/340361548.db2.gz DEGISSMPKTVMQU-UHFFFAOYSA-N 0 1 312.388 3.907 20 30 DHEDMN Cc1ccccc1OCCCN(C)Cc1cccc(C#N)c1F ZINC000512425930 340361549 /nfs/dbraw/zinc/36/15/49/340361549.db2.gz DEGISSMPKTVMQU-UHFFFAOYSA-N 0 1 312.388 3.907 20 30 DHEDMN C[C@@H](O)C[C@H]1CCCCCN1Cc1ccc(Cl)cc1C#N ZINC000512445113 340361988 /nfs/dbraw/zinc/36/19/88/340361988.db2.gz WNIKFESLLZTAGO-CXAGYDPISA-N 0 1 306.837 3.727 20 30 DHEDMN C[C@H](NCCO[C@H]1CCCC[C@@H]1C)c1ccc(C#N)cc1F ZINC000512674657 340372537 /nfs/dbraw/zinc/37/25/37/340372537.db2.gz YRVFOWWNJAZLDP-DEYYWGMASA-N 0 1 304.409 3.943 20 30 DHEDMN C=C1CCN(CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000513452545 340408519 /nfs/dbraw/zinc/40/85/19/340408519.db2.gz YLEPQMDMRPVPNM-UHFFFAOYSA-N 0 1 320.230 3.877 20 30 DHEDMN C(#Cc1ccccc1)CN1CCC(OCCc2ccccc2)CC1 ZINC000191967281 340560571 /nfs/dbraw/zinc/56/05/71/340560571.db2.gz QTQPCWRYUVSJFX-UHFFFAOYSA-N 0 1 319.448 3.762 20 30 DHEDMN COC[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccc(F)cc1 ZINC000539608552 340892297 /nfs/dbraw/zinc/89/22/97/340892297.db2.gz RCIPKKVBRCQAIJ-KZULUSFZSA-N 0 1 316.351 3.875 20 30 DHEDMN C#CCN1CCC(C(=O)N(CC)c2cccc3ccccc32)CC1 ZINC000069476629 340961235 /nfs/dbraw/zinc/96/12/35/340961235.db2.gz AYLHJXUUZSVABC-UHFFFAOYSA-N 0 1 320.436 3.538 20 30 DHEDMN CCC[C@@H]1C[N@H+](CCC(C)(C)C#N)CCN1CCC(C)(C)C#N ZINC000131927881 341113651 /nfs/dbraw/zinc/11/36/51/341113651.db2.gz MBIDOYQLPUUEPO-QGZVFWFLSA-N 0 1 318.509 3.652 20 30 DHEDMN CCN(C(=O)c1c(O)cccc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000132994638 341151450 /nfs/dbraw/zinc/15/14/50/341151450.db2.gz LVVXMIWDPFZVIN-LBPRGKRZSA-N 0 1 312.344 3.626 20 30 DHEDMN CC[C@H](CC#N)N[C@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000546580844 341173399 /nfs/dbraw/zinc/17/33/99/341173399.db2.gz RNXJSXNDMUPJOS-TZMCWYRMSA-N 0 1 307.825 3.647 20 30 DHEDMN CC[C@H](CC#N)N[C@@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000546580841 341173427 /nfs/dbraw/zinc/17/34/27/341173427.db2.gz RNXJSXNDMUPJOS-GXTWGEPZSA-N 0 1 307.825 3.647 20 30 DHEDMN COc1ccc(C#N)cc1C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000133469079 341176121 /nfs/dbraw/zinc/17/61/21/341176121.db2.gz ISJXTLKQVWILDW-IBGZPJMESA-N 0 1 321.424 3.643 20 30 DHEDMN COc1ccc(C#N)cc1CN1CCC[C@H](Nc2ccccc2)C1 ZINC000133469079 341176122 /nfs/dbraw/zinc/17/61/22/341176122.db2.gz ISJXTLKQVWILDW-IBGZPJMESA-N 0 1 321.424 3.643 20 30 DHEDMN CC[C@@H](c1ccc(F)cc1F)N1CCN(CCCCC#N)CC1 ZINC000075833109 341185110 /nfs/dbraw/zinc/18/51/10/341185110.db2.gz NLKYKXXOOPCQIF-SFHVURJKSA-N 0 1 321.415 3.727 20 30 DHEDMN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)Cc1ccc(C#N)cc1F ZINC000134221613 341209984 /nfs/dbraw/zinc/20/99/84/341209984.db2.gz REQOQNCKIFVKFT-ORAYPTAESA-N 0 1 310.372 3.521 20 30 DHEDMN CN(CC#Cc1ccccc1Cl)[C@@H](CCO)c1ccccc1 ZINC000135104401 341230987 /nfs/dbraw/zinc/23/09/87/341230987.db2.gz WEGOPCMWDGQMOR-IBGZPJMESA-N 0 1 313.828 3.747 20 30 DHEDMN Cc1cc(OCc2ccc(C#N)cc2OC(F)F)cc(C)n1 ZINC000548142585 341249129 /nfs/dbraw/zinc/24/91/29/341249129.db2.gz VZPGKVCXKOAENG-UHFFFAOYSA-N 0 1 304.296 3.751 20 30 DHEDMN Cc1cccc(S(=O)(=O)Nc2ccccc2C(C)C)c1C#N ZINC000137192824 341273412 /nfs/dbraw/zinc/27/34/12/341273412.db2.gz LFDKXWNVXKTXGQ-UHFFFAOYSA-N 0 1 314.410 3.791 20 30 DHEDMN N#CCC[C@@H](C#N)CNCC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000548788288 341275648 /nfs/dbraw/zinc/27/56/48/341275648.db2.gz DDNQDAAQTYDYDC-ZDUSSCGKSA-N 0 1 321.346 3.770 20 30 DHEDMN Cc1nc2cccc(C(=O)N(CCC#N)c3ccc(F)cc3)c2[nH]1 ZINC000549340138 341291541 /nfs/dbraw/zinc/29/15/41/341291541.db2.gz VQWLSEOMYFGMDG-UHFFFAOYSA-N 0 1 322.343 3.571 20 30 DHEDMN C=CCN(CCc1ccnn1CC)Cc1ccc(Cl)s1 ZINC000549346497 341291933 /nfs/dbraw/zinc/29/19/33/341291933.db2.gz KQWFFLRVHATPFM-UHFFFAOYSA-N 0 1 309.866 3.849 20 30 DHEDMN C[C@@H](Cc1c(Cl)cccc1Cl)NC[C@H](C#N)CCC#N ZINC000567686518 341627467 /nfs/dbraw/zinc/62/74/67/341627467.db2.gz MKSRDKXBYWHJEJ-RYUDHWBXSA-N 0 1 310.228 3.958 20 30 DHEDMN COCCCC[C@H](NCc1ccc(C#N)cn1)c1ccccc1 ZINC000574766132 341768235 /nfs/dbraw/zinc/76/82/35/341768235.db2.gz DMRMZTMGMWRBQH-IBGZPJMESA-N 0 1 309.413 3.601 20 30 DHEDMN C=CCCCCN1CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000576701142 341859232 /nfs/dbraw/zinc/85/92/32/341859232.db2.gz AZBDIRRCRRVBQM-UHFFFAOYSA-N 0 1 301.434 3.501 20 30 DHEDMN COCCN(Cc1ccc(C#N)cc1)Cc1ccc(OC)c(C)c1 ZINC000339320670 523744723 /nfs/dbraw/zinc/74/47/23/523744723.db2.gz YVBJIQNGTIOVDU-UHFFFAOYSA-N 0 1 324.424 3.524 20 30 DHEDMN N#Cc1ccc(CN2CCC([C@@H](O)c3ccccc3)CC2)s1 ZINC000124615486 526612233 /nfs/dbraw/zinc/61/22/33/526612233.db2.gz USFDOTCMFKETJO-SFHVURJKSA-N 0 1 312.438 3.565 20 30 DHEDMN N#Cc1ccc(CN[C@H]2CCCOc3c(F)cccc32)s1 ZINC000180438606 526627139 /nfs/dbraw/zinc/62/71/39/526627139.db2.gz PWVKOQDIMGJPAR-HNNXBMFYSA-N 0 1 302.374 3.762 20 30 DHEDMN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC000157778625 527584436 /nfs/dbraw/zinc/58/44/36/527584436.db2.gz XYXGHDSNHWDHJX-GFCCVEGCSA-N 0 1 314.408 3.808 20 30 DHEDMN C=CCCC[N@H+](C)Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000652421421 600262945 /nfs/dbraw/zinc/26/29/45/600262945.db2.gz UEWSNUCXZWKDRO-UHFFFAOYSA-N 0 1 316.426 3.906 20 30 DHEDMN Cc1cc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)oc1C(=O)[O-] ZINC000832883681 601429912 /nfs/dbraw/zinc/42/99/12/601429912.db2.gz XXXKJJAHHYGFOD-IAGOWNOFSA-N 0 1 324.380 3.558 20 30 DHEDMN Cc1cc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)oc1C(=O)[O-] ZINC000832883681 601429913 /nfs/dbraw/zinc/42/99/13/601429913.db2.gz XXXKJJAHHYGFOD-IAGOWNOFSA-N 0 1 324.380 3.558 20 30 DHEDMN CC(C)(CCC#N)C[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000833457340 604638254 /nfs/dbraw/zinc/63/82/54/604638254.db2.gz SBFRGTBRGWROJJ-UHFFFAOYSA-N 0 1 324.371 3.571 20 30 DHEDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000833416568 604935257 /nfs/dbraw/zinc/93/52/57/604935257.db2.gz AYZOEVJIKKBNMO-OAHLLOKOSA-N 0 1 319.832 3.514 20 30 DHEDMN Cc1ccccc1[C@H]1CCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000180152599 1013054606 /nfs/dbraw/zinc/05/46/06/1013054606.db2.gz SJKJVYJCOYTYCB-LJQANCHMSA-N 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3.882 20 30 DHEDMN CN(C)C(=O)Sc1ccc(CN2CCC[C@H](CC#N)C2)cc1 ZINC000852319426 1022104469 /nfs/dbraw/zinc/10/44/69/1022104469.db2.gz MHTOQVRJWIRPRF-CQSZACIVSA-N 0 1 317.458 3.586 20 30 DHEDMN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccc2ccccc2c1 ZINC000852685163 1022158116 /nfs/dbraw/zinc/15/81/16/1022158116.db2.gz DBQUUUNKRHHDQD-KDURUIRLSA-N 0 1 306.409 3.961 20 30 DHEDMN COc1cc(C#N)ccc1CN[C@@H](C)c1ccc2c(c1)CCCO2 ZINC000852782514 1022176990 /nfs/dbraw/zinc/17/69/90/1022176990.db2.gz UZYGRTDOTUWTKL-AWEZNQCLSA-N 0 1 322.408 3.743 20 30 DHEDMN N#CC1(c2ccc(Nc3ccnn3-c3ccncc3)cc2)CC1 ZINC001212251396 1022190042 /nfs/dbraw/zinc/19/00/42/1022190042.db2.gz ACDUPTJMZKRUAZ-UHFFFAOYSA-N 0 1 301.353 3.566 20 30 DHEDMN Fc1c(Cl)cccc1N=NCc1cccc2c1OCCO2 ZINC000921137610 1022218166 /nfs/dbraw/zinc/21/81/66/1022218166.db2.gz FIYYDVXDNJWAST-UHFFFAOYSA-N 0 1 306.724 3.696 20 30 DHEDMN C#CCN1CCC(C(=O)N(C)CCCCCCCCC)CC1 ZINC000921206491 1022232537 /nfs/dbraw/zinc/23/25/37/1022232537.db2.gz HNMQTMAEFIGMLN-UHFFFAOYSA-N 0 1 306.494 3.541 20 30 DHEDMN Cn1ncc(C2CCC2)c1C=NN=c1ccc2ccccc2[nH]1 ZINC000853260221 1022246318 /nfs/dbraw/zinc/24/63/18/1022246318.db2.gz JPSZEKMDNSMZKA-UHFFFAOYSA-N 0 1 305.385 3.682 20 30 DHEDMN C[C@H](NCc1ccc(OCC#N)cc1)c1cccc(F)c1F ZINC000181973084 1022255931 /nfs/dbraw/zinc/25/59/31/1022255931.db2.gz UUZJJXZXNJLHTN-LBPRGKRZSA-N 0 1 302.324 3.718 20 30 DHEDMN CC1(C)OCc2cc(C=NNc3ccc(Cl)cn3)ccc2O1 ZINC000853437464 1022272658 /nfs/dbraw/zinc/27/26/58/1022272658.db2.gz ORKOPRHVAPGTRE-UHFFFAOYSA-N 0 1 317.776 3.826 20 30 DHEDMN Cc1nn(C(C)(C)C)c(C)c1C=NNc1ccc(Cl)cn1 ZINC000853437664 1022273220 /nfs/dbraw/zinc/27/32/20/1022273220.db2.gz RFXUCRBJQUOPAG-UHFFFAOYSA-N 0 1 305.813 3.749 20 30 DHEDMN C#Cc1cccnc1N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000853474961 1022280190 /nfs/dbraw/zinc/28/01/90/1022280190.db2.gz VDEMVDKXMZHPNV-MRXNPFEDSA-N 0 1 316.408 3.632 20 30 DHEDMN CC(=CC(=O)Nc1nc2ccc(C#N)cc2[nH]1)c1ccccc1C ZINC001169189717 1022291908 /nfs/dbraw/zinc/29/19/08/1022291908.db2.gz MCTCUOJKHYEOIN-LCYFTJDESA-N 0 1 316.364 3.785 20 30 DHEDMN CCCCCCN1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC001169198121 1022293098 /nfs/dbraw/zinc/29/30/98/1022293098.db2.gz SLFUPXOAKROOOV-SFHVURJKSA-N 0 1 303.425 3.588 20 30 DHEDMN N#Cc1csc(CN[C@@H](CCO)c2ccc(Cl)c(F)c2)c1 ZINC000601136499 1022509932 /nfs/dbraw/zinc/50/99/32/1022509932.db2.gz GKTWCNYGGKHVRH-HNNXBMFYSA-N 0 1 324.808 3.626 20 30 DHEDMN CCCCCCCC[C@H](C)C(=O)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000854986975 1022557742 /nfs/dbraw/zinc/55/77/42/1022557742.db2.gz GVSIOGCWASOWEL-LSDHHAIUSA-N 0 1 306.454 3.507 20 30 DHEDMN CCCCCCCC[C@H](C)C(=O)N1CC[C@H](c2nc[nH]n2)C1 ZINC000854986973 1022558861 /nfs/dbraw/zinc/55/88/61/1022558861.db2.gz GVSIOGCWASOWEL-GJZGRUSLSA-N 0 1 306.454 3.507 20 30 DHEDMN CC(=NNc1nc2ccccc2cc1C)c1ccc(O)cc1O ZINC000776786137 1022574642 /nfs/dbraw/zinc/57/46/42/1022574642.db2.gz QHHSUKYWHILDSZ-UHFFFAOYSA-N 0 1 307.353 3.791 20 30 DHEDMN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CCCc2c[nH]nc21 ZINC000584695207 1022624628 /nfs/dbraw/zinc/62/46/28/1022624628.db2.gz SZYFPJGGTHWDJG-ZWKOTPCHSA-N 0 1 306.413 3.716 20 30 DHEDMN CC[C@H](C#N)Oc1cc(CNCc2ccc(C)o2)ccc1OC ZINC000113347956 1022635688 /nfs/dbraw/zinc/63/56/88/1022635688.db2.gz LVFNDUVYMWPMOY-OAHLLOKOSA-N 0 1 314.385 3.567 20 30 DHEDMN CC#CCCCC(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000767091951 1022644844 /nfs/dbraw/zinc/64/48/44/1022644844.db2.gz XGXDMZQJTSCAGI-LLVKDONJSA-N 0 1 303.793 3.587 20 30 DHEDMN CC(=NNc1ccc([N+](=O)[O-])cc1Cl)c1cncc(C)c1 ZINC000767378066 1022703817 /nfs/dbraw/zinc/70/38/17/1022703817.db2.gz OJFRDOHDKFEEGV-UHFFFAOYSA-N 0 1 304.737 3.788 20 30 DHEDMN C[C@@H](Cc1ccc(C#N)cc1)N1CCO[C@@H](c2ccccc2)C1 ZINC001172304949 1033076586 /nfs/dbraw/zinc/07/65/86/1033076586.db2.gz BOVANBUEBDZZAE-OXJNMPFZSA-N 0 1 306.409 3.563 20 30 DHEDMN C[C@@H](Cc1ccc(C#N)cc1)N1CCc2nc(Cl)ccc2C1 ZINC001172307484 1033076839 /nfs/dbraw/zinc/07/68/39/1033076839.db2.gz ORABIMRBEDYGPZ-ZDUSSCGKSA-N 0 1 311.816 3.596 20 30 DHEDMN CCn1cc(CN(Cc2cc(Cl)cc(C#N)c2)C(C)C)cn1 ZINC000930854891 1022754343 /nfs/dbraw/zinc/75/43/43/1022754343.db2.gz AGGFLWRTDZVUER-UHFFFAOYSA-N 0 1 316.836 3.839 20 30 DHEDMN C[C@@H](Cc1ccc(C#N)cc1)N1CCc2ncc(Cl)cc2C1 ZINC001172311570 1033078072 /nfs/dbraw/zinc/07/80/72/1033078072.db2.gz UZNIRKFLISONQW-ZDUSSCGKSA-N 0 1 311.816 3.596 20 30 DHEDMN N#Cc1ccc(C2=CCN(C[C@@H]3CC3(Cl)Cl)CC2)cc1 ZINC000767731243 1022791319 /nfs/dbraw/zinc/79/13/19/1022791319.db2.gz RXPBNNRVLRRNDD-HNNXBMFYSA-N 0 1 307.224 3.841 20 30 DHEDMN COc1ccc(NN=Cc2ccc3ncccc3c2)c([N+](=O)[O-])c1 ZINC000767803375 1022813848 /nfs/dbraw/zinc/81/38/48/1022813848.db2.gz NHRFVQGOHUJRJJ-UHFFFAOYSA-N 0 1 322.324 3.598 20 30 DHEDMN COc1ccc(N=NC(C)c2cc(C)oc2C)c([N+](=O)[O-])c1 ZINC000767801427 1022814818 /nfs/dbraw/zinc/81/48/18/1022814818.db2.gz KTBJOAMXSRSCMI-UHFFFAOYSA-N 0 1 303.318 3.649 20 30 DHEDMN Cc1ncccc1C=NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000728777972 1022824731 /nfs/dbraw/zinc/82/47/31/1022824731.db2.gz NKSSIWLFTVQWAZ-UHFFFAOYSA-N 0 1 324.262 3.763 20 30 DHEDMN C[C@@H](CC(C)(C)C#N)NCc1ccsc1Br ZINC000695844394 1022949529 /nfs/dbraw/zinc/94/95/29/1022949529.db2.gz VSYNKRHACPVZRH-VIFPVBQESA-N 0 1 301.253 3.929 20 30 DHEDMN Cc1nc(C)c(C(=O)Nc2ccccc2S[C@H](C)CC#N)[nH]1 ZINC000857120972 1022951354 /nfs/dbraw/zinc/95/13/54/1022951354.db2.gz PAKWFYDNMJPPEW-SNVBAGLBSA-N 0 1 314.414 3.673 20 30 DHEDMN N#Cc1cc(Cl)nc(N=NCc2c(F)cccc2Cl)c1 ZINC000768382613 1022961195 /nfs/dbraw/zinc/96/11/95/1022961195.db2.gz VEUSSNKMEISCQE-UHFFFAOYSA-N 0 1 309.131 3.845 20 30 DHEDMN C[C@H](NC1(c2ccc3c(c2)OCO3)CC1)c1ccc(C#N)c(F)c1 ZINC000538551940 1033097462 /nfs/dbraw/zinc/09/74/62/1033097462.db2.gz KSHHDEHVKUYJQZ-LBPRGKRZSA-N 0 1 324.355 3.766 20 30 DHEDMN CN(C)Cc1cc(NCc2cc(C#N)cs2)ccc1Cl ZINC000341507393 1022983029 /nfs/dbraw/zinc/98/30/29/1022983029.db2.gz COCSCUUHHGMQFM-UHFFFAOYSA-N 0 1 305.834 3.947 20 30 DHEDMN CC(=NNc1cnnc2ccccc21)c1ccc(O)c(Cl)c1 ZINC000768776708 1023027542 /nfs/dbraw/zinc/02/75/42/1023027542.db2.gz JNAMZNBWPIGXFR-UHFFFAOYSA-N 0 1 312.760 3.825 20 30 DHEDMN Cc1cc([C@H]2CCCN2Cc2ccc(O[C@@H](C)C#N)cc2)on1 ZINC000768879952 1023047385 /nfs/dbraw/zinc/04/73/85/1023047385.db2.gz ZXXYTKSSBWMUTR-WMLDXEAASA-N 0 1 311.385 3.611 20 30 DHEDMN C[C@@H](c1ccc(C#N)cc1)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000122870381 1023051283 /nfs/dbraw/zinc/05/12/83/1023051283.db2.gz GYAPEQTVNUYBNJ-INIZCTEOSA-N 0 1 316.408 3.937 20 30 DHEDMN CCN(Cc1ccc(Cl)nn1)[C@H](C)c1ccc(C#N)cc1 ZINC000876598518 1033101824 /nfs/dbraw/zinc/10/18/24/1033101824.db2.gz NXCPVCANYJUOTC-GFCCVEGCSA-N 0 1 300.793 3.585 20 30 DHEDMN C=CCN(Cc1ccc2c(c1)COC2)Cc1cccc(C#N)c1 ZINC000769105108 1023084129 /nfs/dbraw/zinc/08/41/29/1023084129.db2.gz LEZFFKSAUISYQM-UHFFFAOYSA-N 0 1 304.393 3.777 20 30 DHEDMN CN(C)c1ccc(CN(Cc2cccc(C#N)c2F)C2CC2)cc1 ZINC000769164175 1023094020 /nfs/dbraw/zinc/09/40/20/1023094020.db2.gz QSAGZXDNKVBOLR-UHFFFAOYSA-N 0 1 323.415 3.928 20 30 DHEDMN COc1cccc(O)c1CN1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000769549140 1023177578 /nfs/dbraw/zinc/17/75/78/1023177578.db2.gz OBHFZIBFNZPRCB-SJLPKXTDSA-N 0 1 322.408 3.673 20 30 DHEDMN CCOc1ccc(C#N)cc1NC(=O)c1c(O)cccc1Cl ZINC000769733508 1023195589 /nfs/dbraw/zinc/19/55/89/1023195589.db2.gz ZDJMENAQRKVBEU-UHFFFAOYSA-N 0 1 316.744 3.568 20 30 DHEDMN N#C[C@@H]1CC[C@@H](NCc2cc(Br)ccc2Cl)C1 ZINC000769946473 1023241065 /nfs/dbraw/zinc/24/10/65/1023241065.db2.gz XRBZETBQGZQGKF-BXKDBHETSA-N 0 1 313.626 3.884 20 30 DHEDMN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H](OC)C1CCC1 ZINC000660540523 1023314528 /nfs/dbraw/zinc/31/45/28/1023314528.db2.gz RTIFVNVOXJETCA-SFHVURJKSA-N 0 1 305.466 3.657 20 30 DHEDMN COc1cc(/C=C/C(=O)c2ccc(C)cc2O)ccc1[N+](=O)[O-] ZINC000770571134 1023324764 /nfs/dbraw/zinc/32/47/64/1023324764.db2.gz APOISYPTARHSIR-VMPITWQZSA-N 0 1 313.309 3.514 20 30 DHEDMN Cc1ccc2c(CN(C)Cc3cccc(C#N)c3)cc(=O)oc2c1 ZINC000026324414 1023330829 /nfs/dbraw/zinc/33/08/29/1023330829.db2.gz TVOHFPRKNSVNCA-UHFFFAOYSA-N 0 1 318.376 3.605 20 30 DHEDMN C=CC[C@H]1CCCC[C@H]1NCc1noc(-c2cncc(C)c2)n1 ZINC000661114721 1023483753 /nfs/dbraw/zinc/48/37/53/1023483753.db2.gz KQAUZOXLNCIZPT-GOEBONIOSA-N 0 1 312.417 3.665 20 30 DHEDMN C#CCN1CCC(C(=O)O[C@H](C)c2c(C)cc(C)cc2C)CC1 ZINC000772109985 1023514071 /nfs/dbraw/zinc/51/40/71/1023514071.db2.gz MHUQPBOAOBKERQ-QGZVFWFLSA-N 0 1 313.441 3.561 20 30 DHEDMN COc1cc2[nH]c(-c3ccc(O[C@H](C)C#N)cc3)nc2cc1C ZINC000772177070 1023520352 /nfs/dbraw/zinc/52/03/52/1023520352.db2.gz KJPBZRLVKLKYIZ-GFCCVEGCSA-N 0 1 307.353 3.838 20 30 DHEDMN C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1CCCC(C)(C)C#N ZINC000772326630 1023548061 /nfs/dbraw/zinc/54/80/61/1023548061.db2.gz XXAWACNIJGFNML-GJZGRUSLSA-N 0 1 323.481 3.646 20 30 DHEDMN C=CC[C@@H](N[C@H](C)c1cnc2cc(C)nn2c1C)c1ccncc1 ZINC000772457819 1023557246 /nfs/dbraw/zinc/55/72/46/1023557246.db2.gz ZDPVFCBWVOZBIT-RDTXWAMCSA-N 0 1 321.428 3.709 20 30 DHEDMN C#CCN(Cc1ccc(OC)c(OC)c1)[C@@H]1CCc2ccccc21 ZINC000772597523 1023577048 /nfs/dbraw/zinc/57/70/48/1023577048.db2.gz GRKIHOPWEUOCGW-LJQANCHMSA-N 0 1 321.420 3.827 20 30 DHEDMN C=CC[C@H]1CCC[N@H+](Cc2nc(-c3ccc(F)c(F)c3)no2)C1 ZINC000661380284 1023585214 /nfs/dbraw/zinc/58/52/14/1023585214.db2.gz MCRQSPMMPGWRHN-LBPRGKRZSA-N 0 1 319.355 3.803 20 30 DHEDMN C=CC[C@H]1CCCN(Cc2nc(-c3ccc(F)c(F)c3)no2)C1 ZINC000661380284 1023585215 /nfs/dbraw/zinc/58/52/15/1023585215.db2.gz MCRQSPMMPGWRHN-LBPRGKRZSA-N 0 1 319.355 3.803 20 30 DHEDMN C=CCCC[C@@H](C(=O)N1CCN(CC)[C@H](C)C1)c1ccccc1 ZINC001137569135 1023658618 /nfs/dbraw/zinc/65/86/18/1023658618.db2.gz RRHYMPIGPFGTHG-IEBWSBKVSA-N 0 1 314.473 3.679 20 30 DHEDMN C=CCOCc1ncn2c1CN([C@@H]1CC[C@@H](C)[C@@H](C)C1)CCC2 ZINC001172370924 1033152197 /nfs/dbraw/zinc/15/21/97/1033152197.db2.gz COQNCLFQFDBTEN-IXDOHACOSA-N 0 1 317.477 3.616 20 30 DHEDMN CC(=NNc1ccc(C(F)(F)F)cc1)c1csc(N)n1 ZINC000746575621 1023678762 /nfs/dbraw/zinc/67/87/62/1023678762.db2.gz FQZNJRMFFIPFBY-UHFFFAOYSA-N 0 1 300.309 3.580 20 30 DHEDMN COc1ccc(CN[C@H](C)c2cnn(C(C)C)c2C)cc1C#N ZINC000786921367 1023738321 /nfs/dbraw/zinc/73/83/21/1023738321.db2.gz AMZQDPSOTIAFIM-CYBMUJFWSA-N 0 1 312.417 3.504 20 30 DHEDMN CC(=NNc1cnnc2ccccc21)c1cnn(C(C)C)c1C ZINC000787158906 1023765438 /nfs/dbraw/zinc/76/54/38/1023765438.db2.gz ZWFBRQAPWURUAQ-UHFFFAOYSA-N 0 1 308.389 3.552 20 30 DHEDMN CC(C)N(CCC#N)C(=O)c1cc(Cl)c2ccccc2c1O ZINC000538741256 1033161043 /nfs/dbraw/zinc/16/10/43/1033161043.db2.gz LKGVQOPQLVUEEQ-UHFFFAOYSA-N 0 1 316.788 3.963 20 30 DHEDMN C[C@@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000661854583 1023780025 /nfs/dbraw/zinc/78/00/25/1023780025.db2.gz DEOCJDFXWSZHEB-KGLIPLIRSA-N 0 1 311.347 3.556 20 30 DHEDMN C=C[C@H]1CCCCN1Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000787309653 1023785791 /nfs/dbraw/zinc/78/57/91/1023785791.db2.gz KZBBYDVAGBLBBC-HNNXBMFYSA-N 0 1 317.433 3.969 20 30 DHEDMN COc1ccc(CNCc2cnc(C3CCC3)s2)cc1C#N ZINC000746742060 1023868548 /nfs/dbraw/zinc/86/85/48/1023868548.db2.gz OCORKCHWTJHXGR-UHFFFAOYSA-N 0 1 313.426 3.581 20 30 DHEDMN Fc1cccc(Cl)c1NN=Cc1ccc(-c2cc[nH]n2)o1 ZINC000788440912 1023881756 /nfs/dbraw/zinc/88/17/56/1023881756.db2.gz KXQUCSOAFGBKHJ-UHFFFAOYSA-N 0 1 304.712 3.908 20 30 DHEDMN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000662084643 1023890957 /nfs/dbraw/zinc/89/09/57/1023890957.db2.gz UIAQLESRFBCBTF-OIISXLGYSA-N 0 1 309.413 3.904 20 30 DHEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccn(-c2c(F)cccc2F)n1 ZINC000662087660 1023895474 /nfs/dbraw/zinc/89/54/74/1023895474.db2.gz HIEGRSKQUWPLEQ-GASCZTMLSA-N 0 1 315.367 3.834 20 30 DHEDMN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@H]2CC2(C)C)cc1 ZINC000126228581 1033177903 /nfs/dbraw/zinc/17/79/03/1033177903.db2.gz YWBCWKYRQKXTGT-UHOFOFEASA-N 0 1 312.413 3.894 20 30 DHEDMN C=CCCC[C@H](NC(=O)[C@H]1CCc2[nH]cnc2C1)c1ccccc1 ZINC000882235157 1024004417 /nfs/dbraw/zinc/00/44/17/1024004417.db2.gz HSGVSBIINOQGSG-IRXDYDNUSA-N 0 1 323.440 3.728 20 30 DHEDMN N#Cc1cnc(Cl)c(CN[C@@H](c2cccs2)C2CC2)c1 ZINC000876909298 1033182206 /nfs/dbraw/zinc/18/22/06/1033182206.db2.gz WUSWZTVZTRGBPR-CQSZACIVSA-N 0 1 303.818 3.909 20 30 DHEDMN C=CCCCC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000531359410 1024130094 /nfs/dbraw/zinc/13/00/94/1024130094.db2.gz SNXSFIULBOYHLE-QGZVFWFLSA-N 0 1 320.864 3.949 20 30 DHEDMN C=CC(C)(C)CNC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000452774016 1024190315 /nfs/dbraw/zinc/19/03/15/1024190315.db2.gz JPJTYPWXHNQMLT-UHFFFAOYSA-N 0 1 309.822 3.734 20 30 DHEDMN CC(=NNc1ncccc1C)c1cnn(-c2ccc(F)cc2)c1C ZINC000790185618 1024236061 /nfs/dbraw/zinc/23/60/61/1024236061.db2.gz JWNSCFPTHIIDDW-UHFFFAOYSA-N 0 1 323.375 3.859 20 30 DHEDMN COc1cc(OC)c(C(C)=NNc2ncccc2C)cc1Cl ZINC000790192859 1024238723 /nfs/dbraw/zinc/23/87/23/1024238723.db2.gz HPWHYMRCYVWZET-UHFFFAOYSA-N 0 1 319.792 3.897 20 30 DHEDMN COc1ccc(CN=Nc2ncccc2C)cc1OCCCC#N ZINC000790187345 1024240665 /nfs/dbraw/zinc/24/06/65/1024240665.db2.gz WMFPTZNDAPASPA-UHFFFAOYSA-N 0 1 324.384 3.527 20 30 DHEDMN C[C@@H](CCCC#N)NC1(c2cccc(C(F)(F)F)c2)COC1 ZINC001172483309 1033196040 /nfs/dbraw/zinc/19/60/40/1033196040.db2.gz OWSMYLXANJAQKM-LBPRGKRZSA-N 0 1 312.335 3.603 20 30 DHEDMN CC(C)N(C)c1ccc(/C=C\C(=O)c2cc(F)ccc2O)cn1 ZINC000790222864 1024253657 /nfs/dbraw/zinc/25/36/57/1024253657.db2.gz XQBKNSGDYCMUET-DAXSKMNVSA-N 0 1 314.360 3.667 20 30 DHEDMN COc1ccc(Cl)cc1C(CC(C)C)=N[N-]c1[nH+]ccn1C ZINC000790300462 1024275363 /nfs/dbraw/zinc/27/53/63/1024275363.db2.gz UDDBXYDQKVUCQH-UHFFFAOYSA-N 0 1 320.824 3.944 20 30 DHEDMN COc1ccc(Cl)cc1C(CC(C)C)=NNc1nccn1C ZINC000790300462 1024275375 /nfs/dbraw/zinc/27/53/75/1024275375.db2.gz UDDBXYDQKVUCQH-UHFFFAOYSA-N 0 1 320.824 3.944 20 30 DHEDMN O=[N+]([O-])c1c(F)cccc1NN=Cc1ccc(Cl)cc1F ZINC000790310290 1024282183 /nfs/dbraw/zinc/28/21/83/1024282183.db2.gz CJCUTJHDTNYLFS-UHFFFAOYSA-N 0 1 311.675 3.972 20 30 DHEDMN C=CCC[C@@H](NCc1ccn(C2CCCC2)n1)[C@H]1CCCO1 ZINC000883207374 1024288957 /nfs/dbraw/zinc/28/89/57/1024288957.db2.gz LUCNGCCLZPUWHI-QZTJIDSGSA-N 0 1 303.450 3.602 20 30 DHEDMN C=CCC[C@H](COc1ccccc1)N[C@@H](C)c1nnc(C)s1 ZINC000883216136 1024294592 /nfs/dbraw/zinc/29/45/92/1024294592.db2.gz LOGFXXBRBZZGCO-DZGCQCFKSA-N 0 1 317.458 3.911 20 30 DHEDMN C=CCC[C@H](COc1ccccc1)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000883227142 1024301837 /nfs/dbraw/zinc/30/18/37/1024301837.db2.gz LUVFWSCLKSROHB-LZLYRXPVSA-N 0 1 311.429 3.892 20 30 DHEDMN C=C(C)C[C@H](CO)NCc1csc(-c2ccc(C)cc2)n1 ZINC000883400274 1024429094 /nfs/dbraw/zinc/42/90/94/1024429094.db2.gz IORRDAFQKGEFEY-OAHLLOKOSA-N 0 1 302.443 3.535 20 30 DHEDMN C=CCCCCCC[C@@H](O)CN1CCCC(F)(F)[C@@H](F)C1 ZINC001253233383 1024445461 /nfs/dbraw/zinc/44/54/61/1024445461.db2.gz DBMPMOAHGVMTFX-CABCVRRESA-N 0 1 307.400 3.943 20 30 DHEDMN CCN(Cc1cnc(N(C)C)s1)[C@@H](C)c1ccc(C#N)cc1 ZINC000271083168 1024454840 /nfs/dbraw/zinc/45/48/40/1024454840.db2.gz JSBUFZWZLACGBZ-ZDUSSCGKSA-N 0 1 314.458 3.664 20 30 DHEDMN C=CCN(C(=O)c1cc(-c2ccc(C)o2)n[nH]1)c1ccccc1 ZINC000647742036 1024470222 /nfs/dbraw/zinc/47/02/22/1024470222.db2.gz XWBHTMCBRFTREV-UHFFFAOYSA-N 0 1 307.353 3.811 20 30 DHEDMN Cc1cc(C)c(NC(=O)CN[C@@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000181978123 1024515297 /nfs/dbraw/zinc/51/52/97/1024515297.db2.gz NYGVWVVEVBKJSK-INIZCTEOSA-N 0 1 321.424 3.773 20 30 DHEDMN Cc1ccc(-c2n[nH]c(NC(=O)CSC(C)(C)C)n2)cc1 ZINC000028857417 1024516862 /nfs/dbraw/zinc/51/68/62/1024516862.db2.gz CZXXVROUOJCYTO-UHFFFAOYSA-N 0 1 304.419 3.900 20 30 DHEDMN COc1ccc([C@H](C)NCc2cc(C#N)ccc2OC)cc1F ZINC000182002355 1024548779 /nfs/dbraw/zinc/54/87/79/1024548779.db2.gz MEAAEJWOIRSMFP-LBPRGKRZSA-N 0 1 314.360 3.565 20 30 DHEDMN CC(C)(C)OC(=O)C[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000532124529 1024560045 /nfs/dbraw/zinc/56/00/45/1024560045.db2.gz RBSMOGXWFGQZTO-QGZVFWFLSA-N 0 1 314.429 3.502 20 30 DHEDMN C[C@@H](CCCC#N)N[C@@H]1CCN(Cc2ccccc2)CC1(F)F ZINC001172487639 1033220774 /nfs/dbraw/zinc/22/07/74/1033220774.db2.gz CZPABVSKSXCFRH-DOTOQJQBSA-N 0 1 321.415 3.568 20 30 DHEDMN CC[C@H](C(=O)Nc1ccc(CC#N)cc1)N(C)Cc1ccccc1 ZINC000339229236 1024581394 /nfs/dbraw/zinc/58/13/94/1024581394.db2.gz FNDZIKUUXWIFLA-LJQANCHMSA-N 0 1 321.424 3.602 20 30 DHEDMN C[C@H](CCCC#N)N1CCCC[C@H]1C(=O)OCc1ccccc1 ZINC001172493594 1033224766 /nfs/dbraw/zinc/22/47/66/1033224766.db2.gz NAGHOHLXWYHONL-AEFFLSMTSA-N 0 1 314.429 3.667 20 30 DHEDMN N#C[C@H](C(=O)C=Cc1ccccc1F)c1cnc2ccccc2n1 ZINC000792110765 1024627327 /nfs/dbraw/zinc/62/73/27/1024627327.db2.gz UHDSMUOHNCIDIR-CMUBDUJZSA-N 0 1 317.323 3.659 20 30 DHEDMN N#CC(C(=O)C=Cc1ccccc1F)c1cnc2ccccc2n1 ZINC000792110765 1024627334 /nfs/dbraw/zinc/62/73/34/1024627334.db2.gz UHDSMUOHNCIDIR-CMUBDUJZSA-N 0 1 317.323 3.659 20 30 DHEDMN CCc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000127451226 1024667149 /nfs/dbraw/zinc/66/71/49/1024667149.db2.gz ZYGWSIUTDPTCDJ-HUUCEWRRSA-N 0 1 321.424 3.798 20 30 DHEDMN COC1CC(CC/N=C/c2cc(Cl)cc(Cl)c2O)C1 ZINC000849171007 1024721652 /nfs/dbraw/zinc/72/16/52/1024721652.db2.gz PTRPZROOKRPCDD-CAOOACKPSA-N 0 1 302.201 3.933 20 30 DHEDMN CO[C@H]1C[C@@H](N(C)Cc2ccc(Cl)cc2C#N)C12CCC2 ZINC001170325422 1024744514 /nfs/dbraw/zinc/74/45/14/1024744514.db2.gz ZZQVJWUJLGUAMM-CVEARBPZSA-N 0 1 304.821 3.601 20 30 DHEDMN Cc1cc(CN2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)ccc1C#N ZINC000792910604 1024835030 /nfs/dbraw/zinc/83/50/30/1024835030.db2.gz FDCVOWRZGRGYCZ-CABCVRRESA-N 0 1 309.240 3.882 20 30 DHEDMN COc1ccc(C=NNc2cccc(Cl)n2)c(C)c1OC ZINC000793175840 1024921962 /nfs/dbraw/zinc/92/19/62/1024921962.db2.gz WOOVDPQJNISUJN-UHFFFAOYSA-N 0 1 305.765 3.507 20 30 DHEDMN N#Cc1cccc(CN(CCCO)[C@H]2CCc3ccccc32)c1F ZINC000352877956 1024936344 /nfs/dbraw/zinc/93/63/44/1024936344.db2.gz RJTAVVTVNHLEGC-IBGZPJMESA-N 0 1 324.399 3.569 20 30 DHEDMN CC(C)C[C@@H]1CCCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000119224889 1024958326 /nfs/dbraw/zinc/95/83/26/1024958326.db2.gz SCYZSABOBFLYNZ-INIZCTEOSA-N 0 1 324.428 3.866 20 30 DHEDMN O/N=C/c1cc(NCC#Cc2ccccc2)cc(C(F)(F)F)c1 ZINC001170430110 1024997601 /nfs/dbraw/zinc/99/76/01/1024997601.db2.gz VPJUTNNBANBWFI-WSDLNYQXSA-N 0 1 318.298 3.977 20 30 DHEDMN N#Cc1ccc(CN2CC[C@@H](c3ccco3)C2)c(OC(F)F)c1 ZINC000610613970 1025000289 /nfs/dbraw/zinc/00/02/89/1025000289.db2.gz ZRHJBTOOMXOGQY-CQSZACIVSA-N 0 1 318.323 3.742 20 30 DHEDMN N#Cc1ccc2c(c1)[C@@H](NCc1ccnc(OC3CCC3)c1)CC2 ZINC000353259898 1025004867 /nfs/dbraw/zinc/00/48/67/1025004867.db2.gz FNCDWTNGOQWWSC-IBGZPJMESA-N 0 1 319.408 3.662 20 30 DHEDMN Cc1ccc(CCC(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)o1 ZINC000747124751 1025057331 /nfs/dbraw/zinc/05/73/31/1025057331.db2.gz PUEAFWBJLWCYRA-AWEZNQCLSA-N 0 1 307.353 3.582 20 30 DHEDMN C=CCCCCC[C@@H](C)N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000793536484 1025083620 /nfs/dbraw/zinc/08/36/20/1025083620.db2.gz WRBYLHNKBKOFBP-GDBMZVCRSA-N 0 1 307.459 3.630 20 30 DHEDMN C#CCOc1ccc(CN2CCC(CC(F)(F)F)CC2)cc1 ZINC000793620065 1025134380 /nfs/dbraw/zinc/13/43/80/1025134380.db2.gz KIQNQWGHGHMYLG-UHFFFAOYSA-N 0 1 311.347 3.863 20 30 DHEDMN CN(C)c1cccnc1CN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000353615150 1025153781 /nfs/dbraw/zinc/15/37/81/1025153781.db2.gz YGHQSUMKEGEOCK-SFHVURJKSA-N 0 1 320.440 3.577 20 30 DHEDMN COc1cc(CN[C@H](C)c2cnn(C(C)C)c2C)ccc1C#N ZINC000353625955 1025163049 /nfs/dbraw/zinc/16/30/49/1025163049.db2.gz SISVSPWQJCVPSH-CYBMUJFWSA-N 0 1 312.417 3.504 20 30 DHEDMN Fc1cc(F)c(NN=Cc2cccc(-n3cccn3)c2)cc1F ZINC000760258721 1025182653 /nfs/dbraw/zinc/18/26/53/1025182653.db2.gz MKLHLHCINHYKGO-UHFFFAOYSA-N 0 1 316.286 3.736 20 30 DHEDMN N#C[C@@H]1CC[C@@H](NCc2cc(F)c(C(F)(F)F)cc2F)C1 ZINC000348329337 1025192991 /nfs/dbraw/zinc/19/29/91/1025192991.db2.gz QSUZXRXEZHYBKC-PSASIEDQSA-N 0 1 304.262 3.765 20 30 DHEDMN CC(C)Cc1ncc(C=NNc2cnc3ccccc3n2)s1 ZINC000772841954 1025217835 /nfs/dbraw/zinc/21/78/35/1025217835.db2.gz KRIFFLAJDFOEHF-UHFFFAOYSA-N 0 1 311.414 3.731 20 30 DHEDMN COc1ccc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)cc1F ZINC000353880813 1025279508 /nfs/dbraw/zinc/27/95/08/1025279508.db2.gz ZYTTZORTYWBTOF-NSHDSACASA-N 0 1 318.373 3.904 20 30 DHEDMN COc1ccc(C(=O)C(C#N)c2nc(C(C)C)cs2)cc1F ZINC000353880813 1025279517 /nfs/dbraw/zinc/27/95/17/1025279517.db2.gz ZYTTZORTYWBTOF-NSHDSACASA-N 0 1 318.373 3.904 20 30 DHEDMN CC(C)c1csc(C(C#N)C(=O)c2cn(C)nc2C(C)C)n1 ZINC000353900372 1025285955 /nfs/dbraw/zinc/28/59/55/1025285955.db2.gz YAKOWMUAUQMKSG-NSHDSACASA-N 0 1 316.430 3.613 20 30 DHEDMN C=CCOc1ccc(CN(CCOC)Cc2ccc(C)o2)cc1 ZINC000354110015 1025354923 /nfs/dbraw/zinc/35/49/23/1025354923.db2.gz NRAJMQIFQFVUGR-UHFFFAOYSA-N 0 1 315.413 3.801 20 30 DHEDMN CCOc1ccc(CN(C)Cc2ccc(C#N)cc2)cc1OC ZINC000015292979 1025374283 /nfs/dbraw/zinc/37/42/83/1025374283.db2.gz QGOAPQMANXGGNI-UHFFFAOYSA-N 0 1 310.397 3.598 20 30 DHEDMN Cc1ccc2nc(C)c(C(=O)C(C#N)c3ccccn3)cc2c1 ZINC000041492319 1025405200 /nfs/dbraw/zinc/40/52/00/1025405200.db2.gz QBJXHUXPDAMXEE-INIZCTEOSA-N 0 1 301.349 3.737 20 30 DHEDMN Cc1csc(C(C#N)C(=O)c2cccc(OC(F)F)c2)n1 ZINC000041520156 1025409115 /nfs/dbraw/zinc/40/91/15/1025409115.db2.gz HEBFOTACGMMJQJ-NSHDSACASA-N 0 1 308.309 3.543 20 30 DHEDMN CC1(C)CN(C[C@H](O)CC2(C#N)CCC2)[C@@H]1c1cccs1 ZINC000886207487 1025558253 /nfs/dbraw/zinc/55/82/53/1025558253.db2.gz DSSHBVFLBKPRRF-UKRRQHHQSA-N 0 1 304.459 3.576 20 30 DHEDMN CSc1ccc(CNCc2ccc(C(F)F)nc2)cc1C#N ZINC000886277253 1025576608 /nfs/dbraw/zinc/57/66/08/1025576608.db2.gz LJFFKPZDDZJMEA-UHFFFAOYSA-N 0 1 319.380 3.903 20 30 DHEDMN CSc1ccc(CNCc2cn(C(C)C)nc2C)cc1C#N ZINC000886277511 1025577862 /nfs/dbraw/zinc/57/78/62/1025577862.db2.gz SYAXYENKSKVGDU-UHFFFAOYSA-N 0 1 314.458 3.656 20 30 DHEDMN N#CC1(C[C@@H](O)CN2CC3(CCCC3)[C@H]2c2ccco2)CCC1 ZINC000886277668 1025581351 /nfs/dbraw/zinc/58/13/51/1025581351.db2.gz YPOLZVORGHJFQP-NVXWUHKLSA-N 0 1 314.429 3.642 20 30 DHEDMN C#CC[C@H]1CCN([C@@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000886361445 1025602937 /nfs/dbraw/zinc/60/29/37/1025602937.db2.gz IIIHGWADZOZVRN-STQMWFEESA-N 0 1 303.356 3.838 20 30 DHEDMN C#C[C@H]1CCCN(Cc2cc(OC(F)(F)F)ccc2F)C1 ZINC001143544507 1025603916 /nfs/dbraw/zinc/60/39/16/1025603916.db2.gz FKJXTVDGTBMMHF-NSHDSACASA-N 0 1 301.283 3.570 20 30 DHEDMN NC(=NOCc1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000219789354 1025673753 /nfs/dbraw/zinc/67/37/53/1025673753.db2.gz ROMKHGXSSZTPEQ-UHFFFAOYSA-N 0 1 309.413 3.514 20 30 DHEDMN CC(C)(C)CCCCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000805854163 1025689707 /nfs/dbraw/zinc/68/97/07/1025689707.db2.gz RIYWFKJEMRNTRC-HNNXBMFYSA-N 0 1 306.450 3.751 20 30 DHEDMN N#Cc1ccc(F)c(CN2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c1 ZINC000886610490 1025734987 /nfs/dbraw/zinc/73/49/87/1025734987.db2.gz CGQMGDSQOUJYHY-ZFWWWQNUSA-N 0 1 312.310 3.862 20 30 DHEDMN CSc1ccc(CN[C@H]2CCCc3cccnc32)cc1C#N ZINC000886690233 1025789677 /nfs/dbraw/zinc/78/96/77/1025789677.db2.gz RWCLHPMXBBEYNW-INIZCTEOSA-N 0 1 309.438 3.842 20 30 DHEDMN C#CCOc1ccccc1CN[C@H]1CCc2nc(Cl)ccc21 ZINC000806147444 1025806949 /nfs/dbraw/zinc/80/69/49/1025806949.db2.gz XITPCLUFYWTGCY-HNNXBMFYSA-N 0 1 312.800 3.524 20 30 DHEDMN C=CCCCCCCNC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000806312689 1025855832 /nfs/dbraw/zinc/85/58/32/1025855832.db2.gz 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/nfs/dbraw/zinc/03/71/47/1026037147.db2.gz ISPQNWYYVJCCLL-PBHICJAKSA-N 0 1 304.409 3.917 20 30 DHEDMN C=CCOc1ccccc1CN1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000356522250 1026072805 /nfs/dbraw/zinc/07/28/05/1026072805.db2.gz IJEQUARLERDPHX-RTBURBONSA-N 0 1 313.441 3.785 20 30 DHEDMN C#CCC1(NCc2nc(C3CCCCC3)cs2)CCOCC1 ZINC000887121994 1026099378 /nfs/dbraw/zinc/09/93/78/1026099378.db2.gz GITISLFVSRHCGA-UHFFFAOYSA-N 0 1 318.486 3.853 20 30 DHEDMN C#CCCCCCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807841344 1026123690 /nfs/dbraw/zinc/12/36/90/1026123690.db2.gz YAOVNWWMMCQNLY-UHFFFAOYSA-N 0 1 314.212 3.899 20 30 DHEDMN C#CCCCCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807839342 1026130891 /nfs/dbraw/zinc/13/08/91/1026130891.db2.gz CDXNKYPUAZWYDV-UHFFFAOYSA-N 0 1 300.185 3.509 20 30 DHEDMN Cc1cc(C)c(NC(=O)CCCN(C)CC(C)(C)C#N)c(C)c1 ZINC000433299466 1026132076 /nfs/dbraw/zinc/13/20/76/1026132076.db2.gz QSSVUEFQHZYWBH-UHFFFAOYSA-N 0 1 315.461 3.812 20 30 DHEDMN CC(C)(C)[C@H]1CCCN1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000532969624 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DHEDMN C=CCC(C)(C)CN[C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000578251596 1028102166 /nfs/dbraw/zinc/10/21/66/1028102166.db2.gz HACGEHNCPWUYBQ-KRWDZBQOSA-N 0 1 301.409 3.841 20 30 DHEDMN C=C(C)c1cccc(NC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000934879371 1028137145 /nfs/dbraw/zinc/13/71/45/1028137145.db2.gz FLXVQAFBXYQMGD-GFCCVEGCSA-N 0 1 313.405 3.844 20 30 DHEDMN Cc1nn(C)c(Cl)c1CN[C@@H](CCCC#N)c1ccccc1 ZINC000814656943 1028138982 /nfs/dbraw/zinc/13/89/82/1028138982.db2.gz BVCQTIOAGCGKKO-INIZCTEOSA-N 0 1 316.836 3.907 20 30 DHEDMN C[C@H](C#N)Oc1ccc(CN2CC(C)(C)O[C@@H]3CCC[C@H]32)cc1 ZINC000367251648 1028153386 /nfs/dbraw/zinc/15/33/86/1028153386.db2.gz OYMMCLMGYSGOBB-ZTFGCOKTSA-N 0 1 314.429 3.509 20 30 DHEDMN C[C@@H]1Oc2ccccc2[C@H]1NCc1cccc(OCCCC#N)c1 ZINC000367392105 1028179048 /nfs/dbraw/zinc/17/90/48/1028179048.db2.gz LZQLLPMSYVCQRG-YWZLYKJASA-N 0 1 322.408 3.981 20 30 DHEDMN CC(=NN=c1cc(C)[nH]cn1)c1nc(-c2ccccc2)cs1 ZINC000814846423 1028242958 /nfs/dbraw/zinc/24/29/58/1028242958.db2.gz 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CC(C)(C#N)c1ccc(CN[C@@]2(c3ccccc3)C[C@@H](O)C2)cc1 ZINC000880223190 1034251472 /nfs/dbraw/zinc/25/14/72/1034251472.db2.gz WNPCOWNMJSWOMD-TYKWCNGQSA-N 0 1 320.436 3.628 20 30 DHEDMN Cc1ccc(-n2ncc(C#N)c2Nc2cccc3[nH]ncc32)cc1 ZINC001174343706 1034304993 /nfs/dbraw/zinc/30/49/93/1034304993.db2.gz ZVAYQANYPRBODB-UHFFFAOYSA-N 0 1 314.352 3.672 20 30 DHEDMN N#Cc1ccc(Br)c(Nc2cccc3[nH]ncc32)c1 ZINC001174348321 1034309039 /nfs/dbraw/zinc/30/90/39/1034309039.db2.gz YHEXRIYCPYCAAA-UHFFFAOYSA-N 0 1 313.158 3.941 20 30 DHEDMN N#Cc1c(F)cccc1NC1=CCCN(Cc2ccccc2)C1 ZINC001174396586 1034322020 /nfs/dbraw/zinc/32/20/20/1034322020.db2.gz ITXKGRAPOMTCNA-UHFFFAOYSA-N 0 1 307.372 3.899 20 30 DHEDMN Oc1c(Cl)cc(Cl)cc1/C=N/[C@@H]1CO[C@@H](C2CC2)C1 ZINC000864346318 1034323336 /nfs/dbraw/zinc/32/33/36/1034323336.db2.gz SVYNSGGTCNYMKH-GHQQLYGTSA-N 0 1 300.185 3.685 20 30 DHEDMN Oc1c(Cl)cc(Cl)cc1/C=N\[C@@H]1CO[C@H](C2CC2)C1 ZINC000864346321 1034324180 /nfs/dbraw/zinc/32/41/80/1034324180.db2.gz SVYNSGGTCNYMKH-QFBVHQOSSA-N 0 1 300.185 3.685 20 30 DHEDMN Oc1c(Cl)cc(Cl)cc1/C=N/Cc1cnn2ccccc12 ZINC000794675451 1034333929 /nfs/dbraw/zinc/33/39/29/1034333929.db2.gz BRMRLROLOMWGOS-CNHKJKLMSA-N 0 1 320.179 3.966 20 30 DHEDMN Cn1cc(-c2ccc(Nc3cc(C#N)c(F)cc3O)cc2)cn1 ZINC001174380126 1034356255 /nfs/dbraw/zinc/35/62/55/1034356255.db2.gz WQSNDVLNZUEFPO-UHFFFAOYSA-N 0 1 308.316 3.547 20 30 DHEDMN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCC(C)(C)O1 ZINC000480782754 1034443196 /nfs/dbraw/zinc/44/31/96/1034443196.db2.gz XOGVUZJENKKBPK-MRXNPFEDSA-N 0 1 304.390 3.540 20 30 DHEDMN N#Cc1cc(Nc2ccc3c[nH]nc3c2)ccc1N1CCCC1 ZINC001174501393 1034458375 /nfs/dbraw/zinc/45/83/75/1034458375.db2.gz QTQVGLBODBYEBA-UHFFFAOYSA-N 0 1 303.369 3.778 20 30 DHEDMN C#CCCCN1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000794806167 1034502130 /nfs/dbraw/zinc/50/21/30/1034502130.db2.gz YTQGPKOAVQHRBK-CJNGLKHVSA-N 0 1 311.347 3.881 20 30 DHEDMN C#CCCCN1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000794806169 1034503045 /nfs/dbraw/zinc/50/30/45/1034503045.db2.gz YTQGPKOAVQHRBK-XJKSGUPXSA-N 0 1 311.347 3.881 20 30 DHEDMN Cc1c(F)cccc1Nc1sc2c(c1C#N)CCN(C)C2 ZINC001174664733 1034563751 /nfs/dbraw/zinc/56/37/51/1034563751.db2.gz AFIUAEXMXSXOLN-UHFFFAOYSA-N 0 1 301.390 3.799 20 30 DHEDMN CN(C)Cc1cccc(C(=O)/C=C\c2cnn(CC3CCC3)c2)c1 ZINC000899378783 1034627174 /nfs/dbraw/zinc/62/71/74/1034627174.db2.gz SXITVDRTDPYELC-KTKRTIGZSA-N 0 1 323.440 3.641 20 30 DHEDMN N#Cc1cccc(C2CCN(Cc3ccc(Cl)nc3)CC2)c1 ZINC001137168203 1034659514 /nfs/dbraw/zinc/65/95/14/1034659514.db2.gz YPLZOSMAWBVDRK-UHFFFAOYSA-N 0 1 311.816 3.986 20 30 DHEDMN C=C(C)CN(C)[C@@H](C)C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000481214342 1034665370 /nfs/dbraw/zinc/66/53/70/1034665370.db2.gz UYXNSGVKBXWQMA-CVEARBPZSA-N 0 1 310.441 3.913 20 30 DHEDMN C=C(C)CN(C)CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000481241747 1034686530 /nfs/dbraw/zinc/68/65/30/1034686530.db2.gz VXTGYXKCFSWASW-LLVKDONJSA-N 0 1 315.244 3.679 20 30 DHEDMN C=CCN(Cc1ccc(Cl)s1)C[C@H](O)CC(F)(F)F 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0 1 320.392 3.668 20 30 DHEDMN N#CCC[C@@H](NC[C@H](O)c1c(F)cccc1F)c1ccccc1 ZINC000775552695 1038713696 /nfs/dbraw/zinc/71/36/96/1038713696.db2.gz KBMIICJFJFUBDG-SJORKVTESA-N 0 1 316.351 3.633 20 30 DHEDMN CCCCCCC[C@H](C)NC(=O)N1CCN(C2CCC2)CC1 ZINC001192919777 1038716148 /nfs/dbraw/zinc/71/61/48/1038716148.db2.gz BKCHYZZCHXYXHU-INIZCTEOSA-N 0 1 309.498 3.615 20 30 DHEDMN COc1cc2c(cc1F)nccc2NCCc1cccc(C#N)c1 ZINC000573102615 1038787947 /nfs/dbraw/zinc/78/79/47/1038787947.db2.gz XQBFGUDBVHYUEV-UHFFFAOYSA-N 0 1 321.355 3.909 20 30 DHEDMN COc1cc(F)c(CN[C@H](C)c2cccc(C#N)c2)cc1OC ZINC000593603033 1038853683 /nfs/dbraw/zinc/85/36/83/1038853683.db2.gz TVNWIWCRJANGBN-GFCCVEGCSA-N 0 1 314.360 3.565 20 30 DHEDMN C=CCCC[N@@H+](CCc1ccc(Cl)cc1Cl)CC(=O)[O-] ZINC000573571440 1038999049 /nfs/dbraw/zinc/99/90/49/1038999049.db2.gz BVMVYTZNEZQBSF-UHFFFAOYSA-N 0 1 316.228 3.889 20 30 DHEDMN CC[C@H](NC[C@@H](n1cccn1)C(F)(F)F)c1ccc(C#N)cc1 ZINC000599058354 1039017628 /nfs/dbraw/zinc/01/76/28/1039017628.db2.gz SRVHZGNCQBSMMG-LSDHHAIUSA-N 0 1 322.334 3.599 20 30 DHEDMN Cc1ccc(CN2CCC(F)(c3ccccn3)CC2)cc1C#N ZINC000599404496 1039145089 /nfs/dbraw/zinc/14/50/89/1039145089.db2.gz MWHWOUHERRVAJB-UHFFFAOYSA-N 0 1 309.388 3.723 20 30 DHEDMN N#Cc1cccc(OCC[N@H+](Cc2ccc(F)cc2)C2CC2)c1 ZINC000603836722 1039175595 /nfs/dbraw/zinc/17/55/95/1039175595.db2.gz MSOQOAYQVITJCY-UHFFFAOYSA-N 0 1 310.372 3.741 20 30 DHEDMN N#Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)S3)c(OC(F)F)c1 ZINC000599552337 1039213158 /nfs/dbraw/zinc/21/31/58/1039213158.db2.gz AAFZYUFSUZLMSL-KGLIPLIRSA-N 0 1 324.396 3.630 20 30 DHEDMN Cc1c2cccc(Cl)c2sc1CN1CC[C@](O)(CC#N)C1 ZINC000592525514 1039225322 /nfs/dbraw/zinc/22/53/22/1039225322.db2.gz PCILYZXRBVDRRA-MRXNPFEDSA-N 0 1 320.845 3.714 20 30 DHEDMN COc1ccc(C(C)(C)NCc2cc(C#N)ccc2F)cc1F ZINC000599598385 1039231576 /nfs/dbraw/zinc/23/15/76/1039231576.db2.gz KGQDXRVRRJKZSY-UHFFFAOYSA-N 0 1 316.351 3.870 20 30 DHEDMN C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1CC1(C#N)CC1 ZINC000599654378 1039257137 /nfs/dbraw/zinc/25/71/37/1039257137.db2.gz ZVPFLGVEQKETNY-OCCSQVGLSA-N 0 1 319.246 3.931 20 30 DHEDMN COc1ccc(-c2cc(C(F)(F)F)n[nH]2)cc1C1(C#N)CC1 ZINC000592988903 1039351076 /nfs/dbraw/zinc/35/10/76/1039351076.db2.gz JHYUQWFFWHQAOH-UHFFFAOYSA-N 0 1 307.275 3.659 20 30 DHEDMN C#CCCCC[NH2+][C@H](CC)c1cc(Br)ccc1[O-] ZINC000229563684 1039385320 /nfs/dbraw/zinc/38/53/20/1039385320.db2.gz GZSPMDDVYKIZLQ-CQSZACIVSA-N 0 1 310.235 3.999 20 30 DHEDMN CC(C)CN(Cc1cn2ccccc2n1)Cc1ccc(C#N)cc1 ZINC000604500821 1039488257 /nfs/dbraw/zinc/48/82/57/1039488257.db2.gz ZSYUYFYGCQKNCP-UHFFFAOYSA-N 0 1 318.424 3.864 20 30 DHEDMN COc1ccc(CNCc2ccoc2C)cc1OCCCC#N ZINC000604512427 1039490601 /nfs/dbraw/zinc/49/06/01/1039490601.db2.gz LBSQMDLQFCIPGL-UHFFFAOYSA-N 0 1 314.385 3.569 20 30 DHEDMN COC(C)(C)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 ZINC000171698818 1039584651 /nfs/dbraw/zinc/58/46/51/1039584651.db2.gz ARIUZWGXAVMQOG-VIFPVBQESA-N 0 1 308.790 3.551 20 30 DHEDMN C=CCCCN(C)CC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000605737743 1039746681 /nfs/dbraw/zinc/74/66/81/1039746681.db2.gz VTFGSXPGQJFOQI-HNNXBMFYSA-N 0 1 318.486 3.802 20 30 DHEDMN COc1ccc(CNCc2ccc(C(C)(C)C#N)cc2)c(OC)c1 ZINC000594495864 1039797669 /nfs/dbraw/zinc/79/76/69/1039797669.db2.gz UBFQEOOKXBYQPZ-UHFFFAOYSA-N 0 1 324.424 3.795 20 30 DHEDMN CC(C)(C#N)c1ccc(CN[C@@H]2COCc3ccccc32)cc1 ZINC000594506593 1039806431 /nfs/dbraw/zinc/80/64/31/1039806431.db2.gz CTCYQQJTOCLGLJ-LJQANCHMSA-N 0 1 306.409 3.849 20 30 DHEDMN COc1cc(C#N)ccc1CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594033283 1039964490 /nfs/dbraw/zinc/96/44/90/1039964490.db2.gz MFYHCPZKAFWFHJ-UHFFFAOYSA-N 0 1 317.392 3.608 20 30 DHEDMN N#Cc1cccc(CNC[C@@H](OC2CCCC2)C(F)(F)F)c1 ZINC000594967280 1039971818 /nfs/dbraw/zinc/97/18/18/1039971818.db2.gz KJHPOTQGBZOBSG-OAHLLOKOSA-N 0 1 312.335 3.538 20 30 DHEDMN CC(C)[C@@H](O)[C@H](NCc1ccc(C#N)cc1F)c1ccccc1 ZINC000594990989 1040006915 /nfs/dbraw/zinc/00/69/15/1040006915.db2.gz WVDFPUCHNUMRMY-RTBURBONSA-N 0 1 312.388 3.545 20 30 DHEDMN C=CCCSCCN[C@@H](C)c1ncc(Br)s1 ZINC000595060517 1040026320 /nfs/dbraw/zinc/02/63/20/1040026320.db2.gz USDQAROXUBUBIH-VIFPVBQESA-N 0 1 321.309 3.866 20 30 DHEDMN C=CCCSCCN[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000595058272 1040026506 /nfs/dbraw/zinc/02/65/06/1040026506.db2.gz GDPRWDLSZHLYKR-KRWDZBQOSA-N 0 1 319.449 3.548 20 30 DHEDMN COC[C@H](N[C@H](C)c1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000595069252 1040030915 /nfs/dbraw/zinc/03/09/15/1040030915.db2.gz QRVAAFWIJCQZHU-KUHUBIRLSA-N 0 1 310.397 3.605 20 30 DHEDMN C[C@@H](NCC1(C#N)CCCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000595091628 1040075987 /nfs/dbraw/zinc/07/59/87/1040075987.db2.gz SFDLNVRRPGZSRA-CQSZACIVSA-N 0 1 311.429 3.696 20 30 DHEDMN C[C@H]1CN(CCc2ccc(C#N)cc2)C[C@H](c2ccccc2)O1 ZINC000595294571 1040092579 /nfs/dbraw/zinc/09/25/79/1040092579.db2.gz POTOPILURAIEHZ-OXJNMPFZSA-N 0 1 306.409 3.563 20 30 DHEDMN N#Cc1ccc(CCN2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000595333587 1040100424 /nfs/dbraw/zinc/10/04/24/1040100424.db2.gz KRHJODYIWDUDCS-NHCUHLMSSA-N 0 1 315.420 3.873 20 30 DHEDMN C[C@H]1CN(CCc2ccc(C#N)cc2)C[C@H](c2ccsc2)O1 ZINC000595343646 1040101733 /nfs/dbraw/zinc/10/17/33/1040101733.db2.gz HKBFQOCBYWLDKU-KBXCAEBGSA-N 0 1 312.438 3.624 20 30 DHEDMN Cc1nc(C2(NCCc3ccc(C#N)cc3)CCCCCC2)no1 ZINC000595360230 1040127921 /nfs/dbraw/zinc/12/79/21/1040127921.db2.gz BKVCXLFJEXZKQA-UHFFFAOYSA-N 0 1 324.428 3.632 20 30 DHEDMN Cc1cccc(C)c1[C@@H](C)NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593023894 1040152686 /nfs/dbraw/zinc/15/26/86/1040152686.db2.gz FVCJFFLAARMXQO-CQSZACIVSA-N 0 1 309.369 3.934 20 30 DHEDMN COc1cc(C#N)ccc1CN[C@@]1(c2ccccc2)CC1(C)C ZINC000595909049 1040272355 /nfs/dbraw/zinc/27/23/55/1040272355.db2.gz LKKLCHLPOIJAHB-HXUWFJFHSA-N 0 1 306.409 3.982 20 30 DHEDMN COc1ccc(C#N)cc1CN1CC2CC1(c1ccccc1)C2 ZINC000595909280 1040274803 /nfs/dbraw/zinc/27/48/03/1040274803.db2.gz RBIJCIWGYZNEAG-UHFFFAOYSA-N 0 1 304.393 3.688 20 30 DHEDMN CC(C)=CC(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000063497561 1040331162 /nfs/dbraw/zinc/33/11/62/1040331162.db2.gz UMVAIICBQSMGBT-UHFFFAOYSA-N 0 1 321.178 3.788 20 30 DHEDMN CO[C@@H](Cn1[nH]c(C(C)(C)C)c(CCC#N)c1=O)C1CCCC1 ZINC000596260342 1040362127 /nfs/dbraw/zinc/36/21/27/1040362127.db2.gz JOFFSRURFWJQGW-HNNXBMFYSA-N 0 1 319.449 3.548 20 30 DHEDMN C=CCOCCCC(=O)O[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000174248126 1040591013 /nfs/dbraw/zinc/59/10/13/1040591013.db2.gz LHUUGSFHRGBALL-LLVKDONJSA-N 0 1 322.792 3.803 20 30 DHEDMN Cc1ccc2nc(SCCOc3ccccc3C#N)[nH]c2c1 ZINC000060423248 1040630024 /nfs/dbraw/zinc/63/00/24/1040630024.db2.gz GFVMHFCVPPMRIS-UHFFFAOYSA-N 0 1 309.394 3.914 20 30 DHEDMN CCCOc1c(CN2CCC[C@@H](CC#N)C2)cccc1OCC ZINC000597174433 1040676626 /nfs/dbraw/zinc/67/66/26/1040676626.db2.gz QJCJCXMJHWUVMY-INIZCTEOSA-N 0 1 316.445 4.000 20 30 DHEDMN N#CCC1CN(CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000597204175 1040693020 /nfs/dbraw/zinc/69/30/20/1040693020.db2.gz SECPWFYHAUVYIY-UHFFFAOYSA-N 0 1 312.363 3.942 20 30 DHEDMN N#Cc1ccc(CN2CCC(OCC3CCCCC3)CC2)o1 ZINC000534348279 1040813700 /nfs/dbraw/zinc/81/37/00/1040813700.db2.gz OQYPTVFLSOQTOI-UHFFFAOYSA-N 0 1 302.418 3.713 20 30 DHEDMN C[C@@H]1CCN(Cc2cnc3ccc(C#N)cn23)[C@H]2CCCC[C@H]12 ZINC000534337160 1040821216 /nfs/dbraw/zinc/82/12/16/1040821216.db2.gz UUMSWTIIWBZAQX-OLMNPRSZSA-N 0 1 308.429 3.607 20 30 DHEDMN Cn1cnc2cc(C=NNc3nc4ccccc4s3)ccc21 ZINC000761253313 1041036653 /nfs/dbraw/zinc/03/66/53/1041036653.db2.gz MDPKOGBKVYGKBI-UHFFFAOYSA-N 0 1 307.382 3.629 20 30 DHEDMN Cn1cnc2cc(C=[NH+][N-]c3nc4ccccc4s3)ccc21 ZINC000761253313 1041036666 /nfs/dbraw/zinc/03/66/66/1041036666.db2.gz MDPKOGBKVYGKBI-UHFFFAOYSA-N 0 1 307.382 3.629 20 30 DHEDMN C[C@H](CC1(C#N)CCOCC1)NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000602517109 1041065223 /nfs/dbraw/zinc/06/52/23/1041065223.db2.gz CBXHGZGASPJQJK-SQWLQELKSA-N 0 1 302.418 3.592 20 30 DHEDMN COc1cccc(Cl)c1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602633986 1041137440 /nfs/dbraw/zinc/13/74/40/1041137440.db2.gz NHRPZAYVLCTKSF-CYBMUJFWSA-N 0 1 322.836 3.537 20 30 DHEDMN COc1cc2c(cc1OC)[C@H](N1Cc3ccc(C#N)cc3C1)CC2 ZINC000602711408 1041172621 /nfs/dbraw/zinc/17/26/21/1041172621.db2.gz QBUJKZJJNLQVDN-GOSISDBHSA-N 0 1 320.392 3.579 20 30 DHEDMN COc1cc2c(cc1OC)[C@@H](N1Cc3ccc(C#N)cc3C1)CC2 ZINC000602711409 1041173465 /nfs/dbraw/zinc/17/34/65/1041173465.db2.gz QBUJKZJJNLQVDN-SFHVURJKSA-N 0 1 320.392 3.579 20 30 DHEDMN CC(C)(C)OC(=O)CC[C@@H]1CCCC[N@H+]1CC1(CC#N)CC1 ZINC000602848107 1041261370 /nfs/dbraw/zinc/26/13/70/1041261370.db2.gz YSHXSIVNGFDVRQ-HNNXBMFYSA-N 0 1 306.450 3.657 20 30 DHEDMN C[C@@H](CN(C)Cc1nnc(-c2ccc(C#N)cc2)o1)C(C)(C)C ZINC000603055988 1041362083 /nfs/dbraw/zinc/36/20/83/1041362083.db2.gz PIBAKTJPKUILHI-ZDUSSCGKSA-N 0 1 312.417 3.722 20 30 DHEDMN C#CCOc1ccc([C@H](C)NCc2cc(C)cc(Cl)n2)cc1 ZINC000282855196 335000506 /nfs/dbraw/zinc/00/05/06/335000506.db2.gz UGXATAXKBCQEKH-AWEZNQCLSA-N 0 1 314.816 3.906 20 30 DHEDMN C=CCCC[N@H+](C)Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000135241211 335024942 /nfs/dbraw/zinc/02/49/42/335024942.db2.gz CUIOTYUUECBYCA-UHFFFAOYSA-N 0 1 311.307 3.552 20 30 DHEDMN C=CCCCN(C)Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000135241211 335024944 /nfs/dbraw/zinc/02/49/44/335024944.db2.gz CUIOTYUUECBYCA-UHFFFAOYSA-N 0 1 311.307 3.552 20 30 DHEDMN CCOC1CC2(C1)CC[N@@H+](CC#Cc1cccc(Cl)c1)C2 ZINC000285431579 335026109 /nfs/dbraw/zinc/02/61/09/335026109.db2.gz HKYCSSLYYCXBGH-UHFFFAOYSA-N 0 1 303.833 3.583 20 30 DHEDMN CCOC1CC2(C1)CCN(CC#Cc1cccc(Cl)c1)C2 ZINC000285431579 335026111 /nfs/dbraw/zinc/02/61/11/335026111.db2.gz HKYCSSLYYCXBGH-UHFFFAOYSA-N 0 1 303.833 3.583 20 30 DHEDMN C=CCOc1ccc(CNCc2nn(CC)c3ccccc23)cc1 ZINC000285484223 335026504 /nfs/dbraw/zinc/02/65/04/335026504.db2.gz IHNLAPMCLCVGCO-UHFFFAOYSA-N 0 1 321.424 3.911 20 30 DHEDMN C#CC[C@@H](N[C@@H](C)c1cc(C(=O)OC)cs1)c1ccccc1 ZINC000286204423 335030517 /nfs/dbraw/zinc/03/05/17/335030517.db2.gz RMKVCARJTAILJE-XJKSGUPXSA-N 0 1 313.422 3.950 20 30 DHEDMN C[C@H](CN(C)CC#Cc1ccc(Cl)cc1)c1nccs1 ZINC000183999964 335052313 /nfs/dbraw/zinc/05/23/13/335052313.db2.gz JTYTVEUZDPWIAG-CYBMUJFWSA-N 0 1 304.846 3.884 20 30 DHEDMN COc1ccc([C@H](C)NC2(c3cccc(C#N)c3)CC2)cc1OC ZINC000272188632 130005958 /nfs/dbraw/zinc/00/59/58/130005958.db2.gz HAGRKXZEDSQILS-AWEZNQCLSA-N 0 1 322.408 3.915 20 30 DHEDMN COc1ccc(OC)c([C@H](C)NC2(c3cccc(C#N)c3)CC2)c1 ZINC000272318856 130021202 /nfs/dbraw/zinc/02/12/02/130021202.db2.gz VJSXQPSKVWKQCB-AWEZNQCLSA-N 0 1 322.408 3.915 20 30 DHEDMN C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000272319911 130021293 /nfs/dbraw/zinc/02/12/93/130021293.db2.gz VTFVRILZYAKUQL-CYBMUJFWSA-N 0 1 307.353 3.806 20 30 DHEDMN C#Cc1ccc(CN[C@@H](C)c2cc(OC)c(OC)cc2F)cc1 ZINC000290427283 335073456 /nfs/dbraw/zinc/07/34/56/335073456.db2.gz RLLWVDKOKVXTFR-ZDUSSCGKSA-N 0 1 313.372 3.675 20 30 DHEDMN C=CCC(C)(C)C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000292117946 335088116 /nfs/dbraw/zinc/08/81/16/335088116.db2.gz AQDYNCWBKWDFQB-OAHLLOKOSA-N 0 1 304.434 3.525 20 30 DHEDMN N#Cc1csc(CN2CCC(OCc3ccccc3)CC2)c1 ZINC000179801402 331543928 /nfs/dbraw/zinc/54/39/28/331543928.db2.gz IMHGRJRMLOROEC-UHFFFAOYSA-N 0 1 312.438 3.801 20 30 DHEDMN C=CCOCCN1CCC(c2ccccc2Br)CC1 ZINC000557019434 331763419 /nfs/dbraw/zinc/76/34/19/331763419.db2.gz OJORYXGVWYYZBV-UHFFFAOYSA-N 0 1 324.262 3.831 20 30 DHEDMN CC(C)CCN1Cc2cccc(NC(=O)[C@@]3(C#N)C[C@@H]3C)c2C1 ZINC000410433403 332143698 /nfs/dbraw/zinc/14/36/98/332143698.db2.gz LLFQHWQHERSVNW-IFXJQAMLSA-N 0 1 311.429 3.537 20 30 DHEDMN CC(C)C1(C)CCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000426791142 332153964 /nfs/dbraw/zinc/15/39/64/332153964.db2.gz HFMMZQOVLPIYHF-UHFFFAOYSA-N 0 1 324.428 3.866 20 30 DHEDMN C=CCCCCCN(C)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000150900977 332198038 /nfs/dbraw/zinc/19/80/38/332198038.db2.gz WLOFEIBSHDCUQP-CQSZACIVSA-N 0 1 317.433 3.773 20 30 DHEDMN C=C(C)[C@H](NCc1n[nH]c(C(C)(C)C)n1)c1ccc(F)c(F)c1 ZINC000292859600 335096533 /nfs/dbraw/zinc/09/65/33/335096533.db2.gz GRSUOOPBKMUFSY-HNNXBMFYSA-N 0 1 320.387 3.787 20 30 DHEDMN C=C(C)C[C@H](C)C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000184978116 335100199 /nfs/dbraw/zinc/10/01/99/335100199.db2.gz SVMBGDGGPFZJFQ-JKSUJKDBSA-N 0 1 304.434 3.525 20 30 DHEDMN N#Cc1ccc2ncc(CNCc3cc(C4CC4)ccc3F)n2c1 ZINC000560152462 332315627 /nfs/dbraw/zinc/31/56/27/332315627.db2.gz GNQHCBSXBBVYNQ-UHFFFAOYSA-N 0 1 320.371 3.512 20 30 DHEDMN C[C@H](Cc1ccccc1C(F)(F)F)NC[C@H](C#N)CCC#N ZINC000563013627 333050675 /nfs/dbraw/zinc/05/06/75/333050675.db2.gz KIKZSGWTYALPMT-OLZOCXBDSA-N 0 1 309.335 3.670 20 30 DHEDMN C[C@@H](Cc1ccccc1C(F)(F)F)NC[C@@H](C#N)CCC#N ZINC000563013628 333050770 /nfs/dbraw/zinc/05/07/70/333050770.db2.gz KIKZSGWTYALPMT-QWHCGFSZSA-N 0 1 309.335 3.670 20 30 DHEDMN CCc1nn(C)c(CC)c1CN[C@@H](CCC#N)c1ccccc1 ZINC000182656225 333179460 /nfs/dbraw/zinc/17/94/60/333179460.db2.gz INBKRQDUBIOVLA-SFHVURJKSA-N 0 1 310.445 3.680 20 30 DHEDMN CC(C)(CCC#N)CN1CCO[C@H](CCc2ccccc2)C1 ZINC000184246790 333194176 /nfs/dbraw/zinc/19/41/76/333194176.db2.gz ROKKPUJZSNIEDA-GOSISDBHSA-N 0 1 300.446 3.650 20 30 DHEDMN N#CCc1ccc(CN[C@@H]2CCCOc3ccc(F)cc32)cc1 ZINC000563125576 333394600 /nfs/dbraw/zinc/39/46/00/333394600.db2.gz PZSFMZCTDHPKTH-GOSISDBHSA-N 0 1 310.372 3.895 20 30 DHEDMN C=CCC[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000343449038 335165492 /nfs/dbraw/zinc/16/54/92/335165492.db2.gz VEILWLDPDMWDMW-UHFFFAOYSA-N 0 1 318.424 3.942 20 30 DHEDMN CC1(C#N)CCN(Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000272564028 334037308 /nfs/dbraw/zinc/03/73/08/334037308.db2.gz URDJHCNRQZWVJK-UHFFFAOYSA-N 0 1 314.820 3.856 20 30 DHEDMN CC1(C#N)CCN(Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000272637552 334038461 /nfs/dbraw/zinc/03/84/61/334038461.db2.gz XCBVXFWDXPAYCK-UHFFFAOYSA-N 0 1 321.424 3.786 20 30 DHEDMN CC[C@@H](CC#N)N[C@@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000273888782 334052814 /nfs/dbraw/zinc/05/28/14/334052814.db2.gz SQVBQEXWCBLKKI-STQMWFEESA-N 0 1 307.825 3.647 20 30 DHEDMN C[C@@H]1CO[C@@H](c2ccccc2)CN1Cc1ccc(CC#N)cc1 ZINC000343530766 335175271 /nfs/dbraw/zinc/17/52/71/335175271.db2.gz 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335382350 /nfs/dbraw/zinc/38/23/50/335382350.db2.gz YKBAMXOGJIAKIH-DIFFPNOSSA-N 0 1 314.408 3.850 20 30 DHEDMN Cc1ccc2nc(CN[C@@H](C)c3ccc(C#N)c(F)c3)[nH]c2c1 ZINC000346159569 335383707 /nfs/dbraw/zinc/38/37/07/335383707.db2.gz HSKIQZPBYMOHPD-LBPRGKRZSA-N 0 1 308.360 3.733 20 30 DHEDMN CCCCCn1cc(CNCc2ccc(C#N)s2)c(C)n1 ZINC000348347549 335578993 /nfs/dbraw/zinc/57/89/93/335578993.db2.gz KCHKDLBJAPSOQH-UHFFFAOYSA-N 0 1 302.447 3.605 20 30 DHEDMN C[C@H](Cc1ccc(Cl)cc1Cl)NC[C@H](C#N)CCC#N ZINC000582176541 335725266 /nfs/dbraw/zinc/72/52/66/335725266.db2.gz ZEASQDRENWUQDC-NEPJUHHUSA-N 0 1 310.228 3.958 20 30 DHEDMN C=CCOc1ccc(CN[C@@H](C)c2cccc(O)c2)cc1OC ZINC000105461738 335761874 /nfs/dbraw/zinc/76/18/74/335761874.db2.gz LCIJXYDUNKVHBX-AWEZNQCLSA-N 0 1 313.397 3.816 20 30 DHEDMN COc1ccc([C@@H](C)NCc2ccc(C#N)c(F)c2)cc1OC ZINC000192153372 336019890 /nfs/dbraw/zinc/01/98/90/336019890.db2.gz LEQTVFCDFGFLSZ-GFCCVEGCSA-N 0 1 314.360 3.565 20 30 DHEDMN CCCN(Cc1cnc2ccc(C#N)cn12)Cc1ccc(F)cc1 ZINC000351602045 336048730 /nfs/dbraw/zinc/04/87/30/336048730.db2.gz JYPZRNJJAUATQY-UHFFFAOYSA-N 0 1 322.387 3.757 20 30 DHEDMN CCC1(CNC(=O)N[C@@H]2CCCc3cn[nH]c32)CCCCC1 ZINC000329738996 336075598 /nfs/dbraw/zinc/07/55/98/336075598.db2.gz UQMKECARJSTJJA-CQSZACIVSA-N 0 1 304.438 3.651 20 30 DHEDMN CC[C@@H]1CCC[C@H](NC(=O)N2CC[C@H](n3cc(Cl)cn3)C2)C1 ZINC000329746077 336076507 /nfs/dbraw/zinc/07/65/07/336076507.db2.gz YRIJISKIYPQXMV-SNPRPXQTSA-N 0 1 324.856 3.666 20 30 DHEDMN C[C@@H]1CCC[C@H](C(=O)N[C@H](Cc2nc[nH]n2)c2ccccc2)C1 ZINC000329928851 336096428 /nfs/dbraw/zinc/09/64/28/336096428.db2.gz YGTSAECHNCKPHK-VNQPRFMTSA-N 0 1 312.417 3.871 20 30 DHEDMN CCC[C@]1(C)CCCN(C(=O)N[C@@H]2CCCc3cn[nH]c32)C1 ZINC000330146699 336117903 /nfs/dbraw/zinc/11/79/03/336117903.db2.gz SWZZQOTYLYJPQJ-RHSMWYFYSA-N 0 1 304.438 3.603 20 30 DHEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000330156131 336118850 /nfs/dbraw/zinc/11/88/50/336118850.db2.gz ONPUHKPZLALWLL-UXIGCNINSA-N 0 1 317.339 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300.446 3.685 20 30 DHEDMN N#Cc1ccc(C(=O)N2CCCCCc3ccccc32)cc1O ZINC000526950006 336275852 /nfs/dbraw/zinc/27/58/52/336275852.db2.gz PPONGUYYCASAGR-UHFFFAOYSA-N 0 1 306.365 3.637 20 30 DHEDMN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H](O)CCC(C)C ZINC000352921876 336377225 /nfs/dbraw/zinc/37/72/25/336377225.db2.gz LYWOHSOWSSALRN-GOSISDBHSA-N 0 1 307.482 3.639 20 30 DHEDMN COc1ccc([C@H](C)NCc2ccc(C#N)c(OC)c2)cc1F ZINC000353608670 336428360 /nfs/dbraw/zinc/42/83/60/336428360.db2.gz JBLHYMPYECRPKS-LBPRGKRZSA-N 0 1 314.360 3.565 20 30 DHEDMN CSc1ccccc1CN1CCN(c2ccccc2C#N)CC1 ZINC000358050884 336608849 /nfs/dbraw/zinc/60/88/49/336608849.db2.gz XCGZIMVPEUNGIT-UHFFFAOYSA-N 0 1 323.465 3.602 20 30 DHEDMN CC(C)(C#N)CCCCN1CCO[C@](C)(c2ccccc2)C1 ZINC000375402663 337010527 /nfs/dbraw/zinc/01/05/27/337010527.db2.gz ICJGVRJQKHCIQU-IBGZPJMESA-N 0 1 300.446 3.954 20 30 DHEDMN C=CC[C@H](C(=O)N1CCC(c2cn[nH]c2C)CC1)c1ccccc1 ZINC000375832922 337020641 /nfs/dbraw/zinc/02/06/41/337020641.db2.gz FRKQCFJJWCGQIZ-SFHVURJKSA-N 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CCN(CC)CC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000066840829 1019629573 /nfs/dbraw/zinc/62/95/73/1019629573.db2.gz HNEQRBYQACOYRE-UHFFFAOYSA-N 0 1 323.396 3.631 20 30 DHEDMN CC(=NNc1ccc(C)cn1)c1cnn(-c2ccc(F)cc2)c1C ZINC000727259495 1019677969 /nfs/dbraw/zinc/67/79/69/1019677969.db2.gz HAVSKTVFTYNXAT-UHFFFAOYSA-N 0 1 323.375 3.859 20 30 DHEDMN COc1c(C)cnc(CN(Cc2ccc(C#N)cc2)C(C)C)c1C ZINC000067227587 1019715580 /nfs/dbraw/zinc/71/55/80/1019715580.db2.gz GQASZKXCIBNXKX-UHFFFAOYSA-N 0 1 323.440 3.989 20 30 DHEDMN CCN(CC)[C@@H](C(=O)Nc1cc(C#N)ccc1C)c1ccccc1 ZINC000067271173 1019720560 /nfs/dbraw/zinc/72/05/60/1019720560.db2.gz WBWHQIDJAPATRS-LJQANCHMSA-N 0 1 321.424 3.888 20 30 DHEDMN CCN(CC)[C@H](C(=O)Nc1cc(C#N)ccc1C)c1ccccc1 ZINC000067271172 1019722041 /nfs/dbraw/zinc/72/20/41/1019722041.db2.gz WBWHQIDJAPATRS-IBGZPJMESA-N 0 1 321.424 3.888 20 30 DHEDMN CCCCCNC(=O)C(C#N)C(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000727627804 1019737452 /nfs/dbraw/zinc/73/74/52/1019737452.db2.gz 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C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(C#N)cc1F ZINC000618803183 1021531827 /nfs/dbraw/zinc/53/18/27/1021531827.db2.gz HEBWUEWKCFOMAR-BUXKBTBVSA-N 0 1 305.356 3.907 20 30 DHEDMN C[C@H](CC(C)(C)C#N)NCc1nc(-c2ccncc2)cs1 ZINC000926833377 1021560270 /nfs/dbraw/zinc/56/02/70/1021560270.db2.gz MVUGGIAGGQDPQM-GFCCVEGCSA-N 0 1 300.431 3.623 20 30 DHEDMN CC(C)=CCC[C@H](C)CC=Nn1cnnc1-n1nc(C)cc1C ZINC000744755143 1021595282 /nfs/dbraw/zinc/59/52/82/1021595282.db2.gz MCVAPEOQJCCVDB-AWEZNQCLSA-N 0 1 314.437 3.687 20 30 DHEDMN Cc1cc(C(=O)Nc2cc(C#N)ccc2O)nn1C1CCCCC1 ZINC000776482107 1021630006 /nfs/dbraw/zinc/63/00/06/1021630006.db2.gz RDZBOTCMYKDDQL-UHFFFAOYSA-N 0 1 324.384 3.526 20 30 DHEDMN C(=N[N-]c1cccc[nH+]1)c1csc(COc2ccccc2)n1 ZINC000918709459 1021634320 /nfs/dbraw/zinc/63/43/20/1021634320.db2.gz LJFSVQJXNJHCMR-UHFFFAOYSA-N 0 1 310.382 3.563 20 30 DHEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)c1 ZINC000850757402 1021642221 /nfs/dbraw/zinc/64/22/21/1021642221.db2.gz 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CN(C)C(=O)Sc1cccc(CN2CCC[C@H](CC#N)C2)c1 ZINC000852319239 1022104245 /nfs/dbraw/zinc/10/42/45/1022104245.db2.gz IEPIZLBOUAYMLB-CQSZACIVSA-N 0 1 317.458 3.586 20 30 DHEDMN Fc1cc(F)cc(N=NC2CCN(Cc3ccccc3)C2)c1 ZINC000920374728 1022111024 /nfs/dbraw/zinc/11/10/24/1022111024.db2.gz JWCMGJFHRYPECY-UHFFFAOYSA-N 0 1 301.340 3.639 20 30 DHEDMN Fc1cc2[nH]c([N-]N=Cc3csc(C4CC4)n3)[nH+]c2cc1F ZINC000920375726 1022111194 /nfs/dbraw/zinc/11/11/94/1022111194.db2.gz OTAHFZUJCUEJJP-UHFFFAOYSA-N 0 1 319.340 3.621 20 30 DHEDMN CC(=O)Nc1ccc(C(=O)/C=C/c2cc(F)c(O)c(F)c2)cc1 ZINC000180453119 1022140773 /nfs/dbraw/zinc/14/07/73/1022140773.db2.gz BDFRFBRPYDBQKZ-FARCUNLSSA-N 0 1 317.291 3.525 20 30 DHEDMN COC[C@H](NCc1cc(Cl)cc(C#N)c1)c1ccccc1 ZINC001168814481 1022142782 /nfs/dbraw/zinc/14/27/82/1022142782.db2.gz WVSMVPMWDVASQC-KRWDZBQOSA-N 0 1 300.789 3.689 20 30 DHEDMN Cc1noc(Nc2c(F)cc(F)c(OC(C)C)c2F)c1C#N ZINC001212642431 1033032612 /nfs/dbraw/zinc/03/26/12/1033032612.db2.gz XPKAOZFYNNABHO-UHFFFAOYSA-N 0 1 311.263 3.803 20 30 DHEDMN C[C@H]1C[C@@H](N(CCC#N)C2CCCC2)CN1C(=O)OC(C)(C)C ZINC001168869050 1022158162 /nfs/dbraw/zinc/15/81/62/1022158162.db2.gz VXONMQBTLJXVKM-GOEBONIOSA-N 0 1 321.465 3.543 20 30 DHEDMN CCCCCCNC(=O)C(C#N)C(=O)C[C@H]1CCCC[C@H]1C ZINC000920790274 1022175553 /nfs/dbraw/zinc/17/55/53/1022175553.db2.gz UUBLJTWHGPKOHG-BZUAXINKSA-N 0 1 306.450 3.608 20 30 DHEDMN CCCCCCNC(=O)C(C#N)C(=O)C[C@@H]1CCCC[C@H]1C ZINC000920790277 1022175738 /nfs/dbraw/zinc/17/57/38/1022175738.db2.gz UUBLJTWHGPKOHG-OWCLPIDISA-N 0 1 306.450 3.608 20 30 DHEDMN C=CCN(Cc1cccs1)C[C@@H]1COc2ccccc2O1 ZINC000620643808 1022212068 /nfs/dbraw/zinc/21/20/68/1022212068.db2.gz NCNBMSYTCWCAME-CQSZACIVSA-N 0 1 301.411 3.576 20 30 DHEDMN N#CCCN(Cc1ccc(Cl)cc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038814 1022223092 /nfs/dbraw/zinc/22/30/92/1022223092.db2.gz KNTVFZUBBNXVBX-GOEBONIOSA-N 0 1 321.808 3.501 20 30 DHEDMN Cn1ncc(C2CCC2)c1CN=Nc1ccc(F)c(F)c1F ZINC000853351906 1022262498 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1022295040 /nfs/dbraw/zinc/29/50/40/1022295040.db2.gz KIZHBDJFBGNZCQ-GFCCVEGCSA-N 0 1 322.767 3.707 20 30 DHEDMN CN(C[C@H](C#N)CCC#N)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000609574964 1022303520 /nfs/dbraw/zinc/30/35/20/1022303520.db2.gz HBLOCBVWRASZHH-QXAKKESOSA-N 0 1 311.429 3.530 20 30 DHEDMN C=CCC1(C(=O)NC[C@H]2CCN2Cc2ccccc2)CCCC1 ZINC000620784975 1022305573 /nfs/dbraw/zinc/30/55/73/1022305573.db2.gz WWWMEFOOHKUMGD-GOSISDBHSA-N 0 1 312.457 3.514 20 30 DHEDMN C#CC(C)(C)N(C)Cc1ccc(OCc2ccccc2F)nc1 ZINC001169243692 1022322989 /nfs/dbraw/zinc/32/29/89/1022322989.db2.gz TWIAHKSMPIDVRH-UHFFFAOYSA-N 0 1 312.388 3.643 20 30 DHEDMN COc1ccc(OC)c(C(=O)/C=C/c2cc(F)c(O)c(F)c2)c1 ZINC000175316400 1022342040 /nfs/dbraw/zinc/34/20/40/1022342040.db2.gz CECRBUMKZMTZJP-HWKANZROSA-N 0 1 320.291 3.584 20 30 DHEDMN N#Cc1ncc(Br)cc1Nc1ccc(Cl)c(O)c1 ZINC001212588710 1022349337 /nfs/dbraw/zinc/34/93/37/1022349337.db2.gz ZJLPAGLOBOEKEE-UHFFFAOYSA-N 0 1 324.565 3.818 20 30 DHEDMN C=C(C)CN(CC)CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000609797458 1022349857 /nfs/dbraw/zinc/34/98/57/1022349857.db2.gz FAJVGTZTLYZLMP-IBGZPJMESA-N 0 1 320.285 3.999 20 30 DHEDMN C[C@H](C#N)CN(C)CC/C=C\c1ccc(Br)cc1 ZINC000609766366 1022350010 /nfs/dbraw/zinc/35/00/10/1022350010.db2.gz CZVSEAFIZXSTRB-HSBHDXMMSA-N 0 1 307.235 3.944 20 30 DHEDMN CC1(C)CN(CCCOc2ccc(C#N)cc2)[C@H]1c1ccncc1 ZINC000854043804 1022398673 /nfs/dbraw/zinc/39/86/73/1022398673.db2.gz TZOCHBYJOWTDDM-IBGZPJMESA-N 0 1 321.424 3.805 20 30 DHEDMN CC(C)C1(C)CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC001169507286 1022430772 /nfs/dbraw/zinc/43/07/72/1022430772.db2.gz LTBRJBCADYYCDJ-UHFFFAOYSA-N 0 1 301.390 3.725 20 30 DHEDMN C[C@@H](C(=O)OC(C)(C)C)N(CC1CCC(C#N)CC1)C1CC1 ZINC000930715950 1022538891 /nfs/dbraw/zinc/53/88/91/1022538891.db2.gz VFJHNZLUXFGKLE-NFOMZHRRSA-N 0 1 306.450 3.511 20 30 DHEDMN COc1ccc(C(=O)/C=C/c2cc(F)c(F)cc2F)c(O)c1 ZINC000767730786 1022790906 /nfs/dbraw/zinc/79/09/06/1022790906.db2.gz REYLVMQIMDPPRE-GORDUTHDSA-N 0 1 308.255 3.714 20 30 DHEDMN Fc1cc(F)c(C=NNc2ncnc3ccsc32)cc1F ZINC000767790967 1022809987 /nfs/dbraw/zinc/80/99/87/1022809987.db2.gz KEBCAVDUJHOANF-UHFFFAOYSA-N 0 1 308.288 3.555 20 30 DHEDMN C=C(C)[C@@H](NCCO[C@H]1CC1(F)F)c1ccc(F)c(F)c1 ZINC000660311388 1022892700 /nfs/dbraw/zinc/89/27/00/1022892700.db2.gz GYTSVEGLUHFFAS-UONOGXRCSA-N 0 1 303.299 3.596 20 30 DHEDMN C#CCCCCCCN(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000876560041 1033091624 /nfs/dbraw/zinc/09/16/24/1033091624.db2.gz BRHHZKBMCSZVIY-MRXNPFEDSA-N 0 1 321.486 3.667 20 30 DHEDMN C#CCCCCCCN(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000876560039 1033092210 /nfs/dbraw/zinc/09/22/10/1033092210.db2.gz BRHHZKBMCSZVIY-INIZCTEOSA-N 0 1 321.486 3.667 20 30 DHEDMN N#Cc1cccc(OCCSc2nc(-c3ccccc3)n[nH]2)c1 ZINC000053466543 1022936252 /nfs/dbraw/zinc/93/62/52/1022936252.db2.gz HALAFBGEOUQTSQ-UHFFFAOYSA-N 0 1 322.393 3.514 20 30 DHEDMN N#Cc1cc(Cl)nc(NN=Cc2cncc3ccccc23)c1 ZINC000768381878 1022961282 /nfs/dbraw/zinc/96/12/82/1022961282.db2.gz NSZOCXFXOMFIRN-UHFFFAOYSA-N 0 1 307.744 3.601 20 30 DHEDMN C=CC[C@@H]1CCCN(C(=O)c2cn[nH]c2-c2ccccc2F)C1 ZINC000617782725 1023053750 /nfs/dbraw/zinc/05/37/50/1023053750.db2.gz LJKOEYOINXWCBZ-CYBMUJFWSA-N 0 1 313.376 3.644 20 30 DHEDMN C[C@H](C#N)Oc1ccc(CN2CCOc3ccccc3[C@H]2C)cc1 ZINC000768928574 1023060767 /nfs/dbraw/zinc/06/07/67/1023060767.db2.gz BIILVCDYJOIVOK-HZPDHXFCSA-N 0 1 322.408 3.933 20 30 DHEDMN CCn1nccc1C(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000123717439 1023063956 /nfs/dbraw/zinc/06/39/56/1023063956.db2.gz UZBIAXTWLSECTA-ZDUSSCGKSA-N 0 1 322.393 3.517 20 30 DHEDMN CCN(Cc1cccc(C#N)c1F)C[C@H](O)c1ccc(C)cc1 ZINC000769161974 1023094981 /nfs/dbraw/zinc/09/49/81/1023094981.db2.gz CDLQWMILMNXPJT-SFHVURJKSA-N 0 1 312.388 3.561 20 30 DHEDMN CCOc1ccc(O)c(CN(CCC#N)CC(CC)CC)c1 ZINC000769334356 1023126901 /nfs/dbraw/zinc/12/69/01/1023126901.db2.gz CPZQRWFWKRCCGO-UHFFFAOYSA-N 0 1 304.434 3.943 20 30 DHEDMN C#CC[N@@H+](Cc1cc(Br)ccc1[O-])C1CCCC1 ZINC000769529953 1023174295 /nfs/dbraw/zinc/17/42/95/1023174295.db2.gz ITHZIJNCXLNYLL-UHFFFAOYSA-N 0 1 308.219 3.533 20 30 DHEDMN C#CC[N@H+](Cc1cc(Br)ccc1[O-])C1CCCC1 ZINC000769529953 1023174296 /nfs/dbraw/zinc/17/42/96/1023174296.db2.gz ITHZIJNCXLNYLL-UHFFFAOYSA-N 0 1 308.219 3.533 20 30 DHEDMN CCc1noc(C)c1C(C)N=Nc1ncccc1C(F)(F)F ZINC000769797658 1023216960 /nfs/dbraw/zinc/21/69/60/1023216960.db2.gz WYYXHCGGTPVWPI-UHFFFAOYSA-N 0 1 312.295 3.795 20 30 DHEDMN CCC(N=Nc1ccnc(Br)c1)c1ccc(O)cc1 ZINC000769811082 1023219965 /nfs/dbraw/zinc/21/99/65/1023219965.db2.gz WUSQMVGHAVTAPP-UHFFFAOYSA-N 0 1 320.190 3.776 20 30 DHEDMN Cc1cccc(F)c1N=NC(C)c1ccc2c(c1)CCC(=O)N2 ZINC000769842000 1023227699 /nfs/dbraw/zinc/22/76/99/1023227699.db2.gz XTPHNMAKIFSZLS-UHFFFAOYSA-N 0 1 311.360 3.855 20 30 DHEDMN CC(C)(C)N1CC[C@](F)(C(=O)OCCCCC2(C#N)CCC2)C1 ZINC000909335602 1023243460 /nfs/dbraw/zinc/24/34/60/1023243460.db2.gz RNBTWCAOPJSHRZ-GOSISDBHSA-N 0 1 324.440 3.606 20 30 DHEDMN C#CCOc1ccc(CNc2ccc(CN(C)C)c(F)c2)cc1 ZINC000770600574 1023329994 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C=C[C@@H]1CCCCN1Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000787309655 1023785422 /nfs/dbraw/zinc/78/54/22/1023785422.db2.gz KZBBYDVAGBLBBC-OAHLLOKOSA-N 0 1 317.433 3.969 20 30 DHEDMN C[N@@H+](CCOc1ccc(F)cc1Cl)Cc1ccc(C#N)cc1 ZINC000538743141 1033164689 /nfs/dbraw/zinc/16/46/89/1033164689.db2.gz FCCFSLGKIIVAAK-UHFFFAOYSA-N 0 1 318.779 3.862 20 30 DHEDMN CC(N=Nc1cccc2cnccc21)c1cn2ccccc2n1 ZINC000788426990 1023880527 /nfs/dbraw/zinc/88/05/27/1023880527.db2.gz CKGHZCWWPQVRBH-UHFFFAOYSA-N 0 1 301.353 3.719 20 30 DHEDMN FC(F)(F)c1cccc(NN=Cc2ccc(-c3cc[nH]n3)o2)n1 ZINC000788428505 1023881220 /nfs/dbraw/zinc/88/12/20/1023881220.db2.gz QECCSTOGODOBHN-UHFFFAOYSA-N 0 1 321.262 3.530 20 30 DHEDMN COc1cc(NN=Cc2cc(F)c(O)c(F)c2)ccc1Cl ZINC000788468151 1023888445 /nfs/dbraw/zinc/88/84/45/1023888445.db2.gz PQIABOQKBOVVRN-UHFFFAOYSA-N 0 1 312.703 3.778 20 30 DHEDMN CCCCCCCC(=O)N[C@H](Cc1nc[nH]n1)c1ccccc1 ZINC000788605576 1023912202 /nfs/dbraw/zinc/91/22/02/1023912202.db2.gz RPNMDJTUVFWBFB-MRXNPFEDSA-N 0 1 314.433 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ZINC000069756067 1025678246 /nfs/dbraw/zinc/67/82/46/1025678246.db2.gz KZNICFVJUSWHDZ-UHFFFAOYSA-N 0 1 313.397 3.558 20 30 DHEDMN N#Cc1ccc(CN2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c(F)c1 ZINC000886610820 1025736926 /nfs/dbraw/zinc/73/69/26/1025736926.db2.gz KSYDCQQNIAFPAW-ZFWWWQNUSA-N 0 1 312.310 3.862 20 30 DHEDMN C=CCCCN(C)[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000076801711 1025884768 /nfs/dbraw/zinc/88/47/68/1025884768.db2.gz PGVJJALABXQOEZ-LBPRGKRZSA-N 0 1 314.351 3.930 20 30 DHEDMN COc1ccc(CNC2(c3ccccc3F)CCC2)cc1C#N ZINC000829897489 1025906380 /nfs/dbraw/zinc/90/63/80/1025906380.db2.gz ZHPGOYTVIMMONH-UHFFFAOYSA-N 0 1 310.372 3.875 20 30 DHEDMN CCCCCCCC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000105372230 1025913650 /nfs/dbraw/zinc/91/36/50/1025913650.db2.gz PSIUBYQRJCIVLV-QGZVFWFLSA-N 0 1 308.441 3.905 20 30 DHEDMN N#CC(C(=O)c1cccc2c1CCC2)c1nc2ccccc2o1 ZINC000193619457 1025942662 /nfs/dbraw/zinc/94/26/62/1025942662.db2.gz URRMXZBVLWAVNA-OAHLLOKOSA-N 0 1 302.333 3.807 20 30 DHEDMN N#C[C@H](C(=O)c1cccc2c1CCC2)c1nc2ccccc2o1 ZINC000193619457 1025942673 /nfs/dbraw/zinc/94/26/73/1025942673.db2.gz URRMXZBVLWAVNA-OAHLLOKOSA-N 0 1 302.333 3.807 20 30 DHEDMN C[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)c1cccnc1 ZINC000356172334 1025971919 /nfs/dbraw/zinc/97/19/19/1025971919.db2.gz VDZPHQVPXFJTJY-LLVKDONJSA-N 0 1 305.303 3.823 20 30 DHEDMN C=CCN(CC1CCCCC1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356570081 1026089529 /nfs/dbraw/zinc/08/95/29/1026089529.db2.gz BFDGKARVRKWTLH-UHFFFAOYSA-N 0 1 318.373 3.509 20 30 DHEDMN C=CC(C)(C)C(=O)N1CCN(Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001131027443 1026105094 /nfs/dbraw/zinc/10/50/94/1026105094.db2.gz LJYFXGBPXSDZNA-GOSISDBHSA-N 0 1 314.473 3.568 20 30 DHEDMN C=CCN(Cc1ccc(NC(C)=O)cc1)Cc1ccc(OC)cc1 ZINC000092217506 1026107772 /nfs/dbraw/zinc/10/77/72/1026107772.db2.gz NKKWKFVPEQUDQE-UHFFFAOYSA-N 0 1 324.424 3.842 20 30 DHEDMN C#CCCOc1ccc(CN[C@H]2c3ccccc3O[C@H]2C)cc1 ZINC000808443497 1026288854 /nfs/dbraw/zinc/28/88/54/1026288854.db2.gz 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0 1 320.270 3.621 20 30 DHEDMN CCc1cnc(CNCCSCc2ccccc2C#N)s1 ZINC000344150054 335221826 /nfs/dbraw/zinc/22/18/26/335221826.db2.gz FVTHHQGHXLLBNX-UHFFFAOYSA-N 0 1 317.483 3.600 20 30 DHEDMN COc1ccc(CNCc2ccc(C#N)s2)c(OC(F)F)c1 ZINC000344480390 335252542 /nfs/dbraw/zinc/25/25/42/335252542.db2.gz MPAABAWQVVNNFJ-UHFFFAOYSA-N 0 1 324.352 3.520 20 30 DHEDMN COc1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)cc1F ZINC000346155870 335382748 /nfs/dbraw/zinc/38/27/48/335382748.db2.gz GTNSDTSDDTYRNX-LLVKDONJSA-N 0 1 302.324 3.696 20 30 DHEDMN C=CCOCCCN[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000348048591 335548063 /nfs/dbraw/zinc/54/80/63/335548063.db2.gz NBTHIWBXSZOZKF-IBGZPJMESA-N 0 1 324.424 3.549 20 30 DHEDMN Cn1ccc([C@@H](NCC(C)(C)CCC#N)c2ccc(F)cc2)n1 ZINC000348203379 335565637 /nfs/dbraw/zinc/56/56/37/335565637.db2.gz CHSZYYWYKQWTRQ-KRWDZBQOSA-N 0 1 314.408 3.568 20 30 DHEDMN CCOc1ccc(CN2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000367067636 335627553 /nfs/dbraw/zinc/62/75/53/335627553.db2.gz SPKNLXPLJUKAQM-UHFFFAOYSA-N 0 1 321.424 3.538 20 30 DHEDMN Cc1cnn([C@@H]2CCN(C([O-])=[NH+][C@@H]3CCC(C)(C)C[C@H]3C)C2)c1 ZINC000329611914 336010310 /nfs/dbraw/zinc/01/03/10/336010310.db2.gz OIAYLEDBCKXLJF-BZUAXINKSA-N 0 1 318.465 3.567 20 30 DHEDMN CC1(C)CCC[C@H](NC(=O)N2CC[C@@H](n3cc(Cl)cn3)C2)C1 ZINC000329630761 336020217 /nfs/dbraw/zinc/02/02/17/336020217.db2.gz VNZFGQHOIUWYSF-UONOGXRCSA-N 0 1 324.856 3.666 20 30 DHEDMN C[C@@H]1CCC[C@H](NC(=O)N2CC[C@H](n3cc(Cl)cn3)C2)CC1 ZINC000329644465 336026348 /nfs/dbraw/zinc/02/63/48/336026348.db2.gz IJEFAHYTUCYPLM-SNPRPXQTSA-N 0 1 324.856 3.666 20 30 DHEDMN CC(C)Cn1ccnc1NCc1ccc(F)c(C#N)c1Cl ZINC000351549931 336042715 /nfs/dbraw/zinc/04/27/15/336042715.db2.gz GQAOGKUZXZIHLZ-UHFFFAOYSA-N 0 1 306.772 3.815 20 30 DHEDMN C[C@@H]1CC[C@H](NC(=O)N2CC[C@H](n3cc(Cl)cn3)C2)[C@H](C)C1 ZINC000329722816 336070446 /nfs/dbraw/zinc/07/04/46/336070446.db2.gz NLPWJYOVDNVOKU-UXOAXIEHSA-N 0 1 324.856 3.522 20 30 DHEDMN C[C@@H]1CCN(C([O-])=[NH+]CCC2CCCCC2)C[C@@H]1n1ccnc1 ZINC000329961788 336100317 /nfs/dbraw/zinc/10/03/17/336100317.db2.gz RUCQKIRXBLUBKN-WBVHZDCISA-N 0 1 318.465 3.650 20 30 DHEDMN CC(C)C1CCC(NC(=O)N[C@@H]2CCCc3cn[nH]c32)CC1 ZINC000330068342 336111004 /nfs/dbraw/zinc/11/10/04/336111004.db2.gz GHPHEWBYAMJXMW-PESDSKBTSA-N 0 1 304.438 3.506 20 30 DHEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1CCC[C@H]1C1CCCCC1 ZINC000330130805 336116404 /nfs/dbraw/zinc/11/64/04/336116404.db2.gz KPDHYCROCFDVHO-CVEARBPZSA-N 0 1 316.449 3.746 20 30 DHEDMN C[C@@H]1CCc2c(C(=O)N[C@H]3CCCc4cn[nH]c43)csc2C1 ZINC000330139742 336117543 /nfs/dbraw/zinc/11/75/43/336117543.db2.gz WKCZOOZBKMTHNB-YGRLFVJLSA-N 0 1 315.442 3.978 20 30 DHEDMN CCCC1CCC(NC(=O)N[C@@H]2CCCc3cn[nH]c32)CC1 ZINC000330149703 336118226 /nfs/dbraw/zinc/11/82/26/336118226.db2.gz VGQJNGOGKCWYNT-PESDSKBTSA-N 0 1 304.438 3.650 20 30 DHEDMN CCC1CCC(NC(=O)c2cn[nH]c2-c2cnn(CC)c2)CC1 ZINC000330231977 336127716 /nfs/dbraw/zinc/12/77/16/336127716.db2.gz RIOPPOIQXBGHOV-UHFFFAOYSA-N 0 1 315.421 3.567 20 30 DHEDMN C=CCCCCCN(C)[C@@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000351912133 336132171 /nfs/dbraw/zinc/13/21/71/336132171.db2.gz FDOLIZQRPIZPJH-ZDUSSCGKSA-N 0 1 309.479 3.765 20 30 DHEDMN CCS[C@H]1CCCCN([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000332232123 336164129 /nfs/dbraw/zinc/16/41/29/336164129.db2.gz PEIHTCBHWOSHDY-JKSUJKDBSA-N 0 1 317.458 3.742 20 30 DHEDMN N#CCCC[C@@H](NC(=O)c1n[nH]c2ccccc21)c1ccccc1 ZINC000352205014 336202322 /nfs/dbraw/zinc/20/23/22/336202322.db2.gz CIRRFIQLALPWTJ-MRXNPFEDSA-N 0 1 318.380 3.728 20 30 DHEDMN CC(C)(C)CCOc1cnccc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000352598044 336226267 /nfs/dbraw/zinc/22/62/67/336226267.db2.gz NCJABURESZHNCP-GDBMZVCRSA-N 0 1 301.434 3.678 20 30 DHEDMN C=C(C)CN(Cc1ccc(CO)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000352806333 336242251 /nfs/dbraw/zinc/24/22/51/336242251.db2.gz UQTMGBDWSPWPIH-HNNXBMFYSA-N 0 1 310.397 3.783 20 30 DHEDMN Cc1ccc(C)c([C@H](C)N(C)CC(=O)Nc2ccc(C#N)cc2)c1 ZINC000532577693 336256273 /nfs/dbraw/zinc/25/62/73/336256273.db2.gz FCILFYJVZINJSX-INIZCTEOSA-N 0 1 321.424 3.807 20 30 DHEDMN CN(C)Cc1ccc(CNc2ccc(C#N)cc2F)cc1F ZINC000301866700 336335079 /nfs/dbraw/zinc/33/50/79/336335079.db2.gz HHNCOTMGJKAPIC-UHFFFAOYSA-N 0 1 301.340 3.510 20 30 DHEDMN CCCOc1ncccc1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000353408034 336415855 /nfs/dbraw/zinc/41/58/55/336415855.db2.gz YHKUHBCJDKVPFA-SFHVURJKSA-N 0 1 307.397 3.519 20 30 DHEDMN Cc1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1Br ZINC000193338325 336696682 /nfs/dbraw/zinc/69/66/82/336696682.db2.gz HWOXJVDFZUESDA-OCCSQVGLSA-N 0 1 307.235 3.930 20 30 DHEDMN Cn1nc(-c2ccccc2)c(CNCC2(CC#N)CC2)c1Cl ZINC000368463863 336845266 /nfs/dbraw/zinc/84/52/66/336845266.db2.gz YXYVXUPGMBZPET-UHFFFAOYSA-N 0 1 314.820 3.524 20 30 DHEDMN N#CC1(c2ccccn2)CCN(C/C=C/c2ccccc2)CC1 ZINC000369214540 336860799 /nfs/dbraw/zinc/86/07/99/336860799.db2.gz KNZCULBVWNGQGU-RMKNXTFCSA-N 0 1 303.409 3.652 20 30 DHEDMN COc1cc(CN[C@@H]2CCCc3cnn(C(C)C)c32)ccc1C#N ZINC000374125553 336981795 /nfs/dbraw/zinc/98/17/95/336981795.db2.gz IZBWGGDSRCRDIP-QGZVFWFLSA-N 0 1 324.428 3.511 20 30 DHEDMN C[C@H](c1cccc(F)c1)N1CCC(C#N)(c2ccccn2)CC1 ZINC000374290407 336986144 /nfs/dbraw/zinc/98/61/44/336986144.db2.gz BSARLNXEIIJYAV-OAHLLOKOSA-N 0 1 309.388 3.839 20 30 DHEDMN C=CC[C@H](C)[C@H](C)N[C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000374976316 337000856 /nfs/dbraw/zinc/00/08/56/337000856.db2.gz FVJJVULZEKZZBF-DEYYWGMASA-N 0 1 301.409 3.839 20 30 DHEDMN C=CC[C@H](C)[C@@H](C)N[C@@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000374976326 337000900 /nfs/dbraw/zinc/00/09/00/337000900.db2.gz FVJJVULZEKZZBF-PMUMKWKESA-N 0 1 301.409 3.839 20 30 DHEDMN OCCC[C@@H](NCC#Cc1ccccc1Cl)c1ccccc1 ZINC000305787723 337037226 /nfs/dbraw/zinc/03/72/26/337037226.db2.gz YTHAGOJPMHDNCZ-LJQANCHMSA-N 0 1 313.828 3.795 20 30 DHEDMN C[C@@H](N[C@@H](CCCO)c1ccccc1)c1ccc(C#N)cc1F ZINC000305801881 337038031 /nfs/dbraw/zinc/03/80/31/337038031.db2.gz DPVIKVXWKYDADH-KUHUBIRLSA-N 0 1 312.388 3.862 20 30 DHEDMN N#C[C@@H](c1ccccc1)[C@H]1CCCN1CC[C@@H](O)c1ccccc1 ZINC000377132218 337047376 /nfs/dbraw/zinc/04/73/76/337047376.db2.gz XCQFYJZSJWGAME-PWRODBHTSA-N 0 1 320.436 3.882 20 30 DHEDMN N#Cc1ccccc1CN[C@@H]1c2ccccc2CC12CCOCC2 ZINC000377727508 337059717 /nfs/dbraw/zinc/05/97/17/337059717.db2.gz RMQHQLLRYFOMNE-HXUWFJFHSA-N 0 1 318.420 3.742 20 30 DHEDMN CC(=Cc1ccc(-c2ccccc2)o1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193610891 337078514 /nfs/dbraw/zinc/07/85/14/337078514.db2.gz ZLLBEFYCXHMRKE-ZRDIBKRKSA-N 0 1 317.348 3.771 20 30 DHEDMN COc1ccccc1C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000177772040 337157331 /nfs/dbraw/zinc/15/73/31/337157331.db2.gz NFLMQBUMYNXVRK-GFCCVEGCSA-N 0 1 300.383 3.765 20 30 DHEDMN CCOc1ccc2c(c1)[C@H](NCc1cccc(C#N)c1)CCO2 ZINC000177897437 337160978 /nfs/dbraw/zinc/16/09/78/337160978.db2.gz YOJDSWGFTPBMOZ-GOSISDBHSA-N 0 1 308.381 3.570 20 30 DHEDMN C=C(C)COc1cc(CN2CCSC[C@@H]2C)ccc1OC ZINC000179666368 337171012 /nfs/dbraw/zinc/17/10/12/337171012.db2.gz IYPMUIMFNFBPPP-AWEZNQCLSA-N 0 1 307.459 3.587 20 30 DHEDMN C=C(C)CN(C)Cc1cc(OC)ccc1OCc1ccccn1 ZINC000181045707 337179493 /nfs/dbraw/zinc/17/94/93/337179493.db2.gz ZJJBQKRHJPVKOL-UHFFFAOYSA-N 0 1 312.413 3.677 20 30 DHEDMN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1cccc2c1OCO2 ZINC000582947913 337221137 /nfs/dbraw/zinc/22/11/37/337221137.db2.gz NHIAIIMHSOFMOM-SFHVURJKSA-N 0 1 320.392 3.844 20 30 DHEDMN CC(C)(CC#N)CNCc1c(Cl)cccc1N1CCCC1 ZINC000459734649 337276427 /nfs/dbraw/zinc/27/64/27/337276427.db2.gz SJPAESKZXZREGB-UHFFFAOYSA-N 0 1 305.853 3.970 20 30 DHEDMN CCOc1ccc(C2=CCN(Cc3cc(C#N)n(C)c3)CC2)cc1 ZINC000191466458 337297271 /nfs/dbraw/zinc/29/72/71/337297271.db2.gz AVRJUQPNFQVNBW-UHFFFAOYSA-N 0 1 321.424 3.585 20 30 DHEDMN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCCN1C1CC1 ZINC000584612394 337372430 /nfs/dbraw/zinc/37/24/30/337372430.db2.gz UTITUOFOYXGCIG-CQSZACIVSA-N 0 1 324.877 3.543 20 30 DHEDMN CCc1cccc2c1OCC[C@H]2NCc1ccc(C#N)c(F)c1 ZINC000421330222 337526750 /nfs/dbraw/zinc/52/67/50/337526750.db2.gz WSXKWQDTBRTSBK-GOSISDBHSA-N 0 1 310.372 3.873 20 30 DHEDMN C=CC[C@@H](Cc1ccccc1)NCc1nn(C)c(C)c1Cl ZINC000421389234 337530186 /nfs/dbraw/zinc/53/01/86/337530186.db2.gz XDVASPHQRRIYPP-HNNXBMFYSA-N 0 1 303.837 3.659 20 30 DHEDMN CCN(CC)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000078574270 337602013 /nfs/dbraw/zinc/60/20/13/337602013.db2.gz LJRVAZSKOKRCBD-LBPRGKRZSA-N 0 1 319.474 3.557 20 30 DHEDMN C#CCOc1ccc([C@H](C)N[C@@H](CCOC)c2ccco2)cc1 ZINC000272601108 337649364 /nfs/dbraw/zinc/64/93/64/337649364.db2.gz UIPLPEIUCNUJMB-YJBOKZPZSA-N 0 1 313.397 3.720 20 30 DHEDMN Cc1c([C@H](C)NCc2ccc(C#N)s2)cnn1C(C)(C)C ZINC000421881586 337658699 /nfs/dbraw/zinc/65/86/99/337658699.db2.gz OZFHIRSFXHDLFA-NSHDSACASA-N 0 1 302.447 3.731 20 30 DHEDMN N#Cc1ccc(F)c(CN(CCc2ccccc2)[C@H]2CCOC2)c1 ZINC000084134466 338000307 /nfs/dbraw/zinc/00/03/07/338000307.db2.gz HIUAANCOGALRAM-IBGZPJMESA-N 0 1 324.399 3.531 20 30 DHEDMN CC[C@H]1CCCCCN1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000426456690 338032621 /nfs/dbraw/zinc/03/26/21/338032621.db2.gz DRJKHRFYISMEHR-AWEZNQCLSA-N 0 1 319.474 3.830 20 30 DHEDMN COc1ccccc1C[C@H]1CCCN1Cc1cccc(F)c1C#N ZINC000428395592 338049945 /nfs/dbraw/zinc/04/99/45/338049945.db2.gz BXMDDUAJVVOCQI-QGZVFWFLSA-N 0 1 324.399 3.913 20 30 DHEDMN CC(C)N(CC(=O)Nc1cccc(C#N)c1)[C@H](C)c1ccccc1 ZINC000428874373 338064073 /nfs/dbraw/zinc/06/40/73/338064073.db2.gz ZPBWDABKOBKXLO-MRXNPFEDSA-N 0 1 321.424 3.968 20 30 DHEDMN COc1ccc(Br)c(CN(C)CCCCC#N)c1 ZINC000429305089 338077177 /nfs/dbraw/zinc/07/71/77/338077177.db2.gz BZLNOLGUEKEICH-UHFFFAOYSA-N 0 1 311.223 3.583 20 30 DHEDMN N#CC(C(=O)c1c[nH]c(C(F)(F)F)c1)c1nc2ccccc2o1 ZINC000429698751 338087662 /nfs/dbraw/zinc/08/76/62/338087662.db2.gz MWFOGTLAXKWCHK-VIFPVBQESA-N 0 1 319.242 3.665 20 30 DHEDMN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC(C)=C[C@@H](C)C1 ZINC000430284366 338104391 /nfs/dbraw/zinc/10/43/91/338104391.db2.gz NNKVTHYQNFAZKR-ZBFHGGJFSA-N 0 1 318.486 3.549 20 30 DHEDMN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC(C)=C[C@H](C)C1 ZINC000430284365 338104436 /nfs/dbraw/zinc/10/44/36/338104436.db2.gz 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CCc1ccsc1C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000605363108 1012200692 /nfs/dbraw/zinc/20/06/92/1012200692.db2.gz JILYZOXSLDZBOU-LBPRGKRZSA-N 0 1 309.394 3.985 20 30 DHEDMN C=CCN(CC1CCCCC1)C(=O)c1cc2[nH]cnc2cc1F ZINC000425181605 1012343506 /nfs/dbraw/zinc/34/35/06/1012343506.db2.gz YDILCXCFJOZEOZ-UHFFFAOYSA-N 0 1 315.392 3.911 20 30 DHEDMN COc1ccc(CN[C@H](C)c2ccc(F)c(F)c2)cc1C#N ZINC000124950719 1032622534 /nfs/dbraw/zinc/62/25/34/1032622534.db2.gz KIWXQGJORBOZRY-LLVKDONJSA-N 0 1 302.324 3.696 20 30 DHEDMN COc1ccc(CN[C@@H](C)c2ccc(F)c(F)c2)cc1C#N ZINC000124950509 1032622785 /nfs/dbraw/zinc/62/27/85/1032622785.db2.gz KIWXQGJORBOZRY-NSHDSACASA-N 0 1 302.324 3.696 20 30 DHEDMN C[C@@H](c1cccc(C#N)c1)N(C)Cc1cnn(CC(F)(F)F)c1 ZINC000425364722 1012488562 /nfs/dbraw/zinc/48/85/62/1012488562.db2.gz HHDGUQHUGRKDPX-LBPRGKRZSA-N 0 1 322.334 3.510 20 30 DHEDMN CCN(C)c1ccc(C(C)=[NH+][N-]c2cc(Cl)nc(C)n2)cc1 ZINC000748076674 1012522848 /nfs/dbraw/zinc/52/28/48/1012522848.db2.gz YYUMIYSQJARBGG-UHFFFAOYSA-N 0 1 317.824 3.731 20 30 DHEDMN COc1ccc(C#N)cc1CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425538141 1012738892 /nfs/dbraw/zinc/73/88/92/1012738892.db2.gz ROTYTJMDABHJRG-CQSZACIVSA-N 0 1 305.381 3.632 20 30 DHEDMN N#Cc1ccc(CN2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC000039199500 1012757558 /nfs/dbraw/zinc/75/75/58/1012757558.db2.gz RWDHWBBIDQSMRY-UHFFFAOYSA-N 0 1 301.393 3.616 20 30 DHEDMN CC(C)n1cc(CN2CCC(C#Cc3ccccc3)CC2)cn1 ZINC001137081259 1032678105 /nfs/dbraw/zinc/67/81/05/1032678105.db2.gz DGCVLRNPLUCZGO-UHFFFAOYSA-N 0 1 307.441 3.728 20 30 DHEDMN N#Cc1ccc(CNCC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000177716135 1017112425 /nfs/dbraw/zinc/11/24/25/1017112425.db2.gz MFWGBKTXESHBIY-UHFFFAOYSA-N 0 1 314.310 3.718 20 30 DHEDMN C=C(C)CN(Cc1cnc(N(C)C)s1)Cc1ccccc1 ZINC000475286161 1017117587 /nfs/dbraw/zinc/11/75/87/1017117587.db2.gz JHDFNEVNPZLBBC-UHFFFAOYSA-N 0 1 301.459 3.787 20 30 DHEDMN CCCN(Cc1cn2cccc(C)c2n1)Cc1ccc(C#N)cc1 ZINC000051855237 1017182265 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C#CCOc1ccc(CN[C@@H]2CCc3ccc(Cl)nc32)cc1 ZINC000857914561 1032717815 /nfs/dbraw/zinc/71/78/15/1032717815.db2.gz VXUSFUGPZFXRKB-MRXNPFEDSA-N 0 1 312.800 3.524 20 30 DHEDMN CCn1cc([C@@H](C)NCC#Cc2ccc(C(F)(F)F)cc2)cn1 ZINC000181215257 1017734893 /nfs/dbraw/zinc/73/48/93/1017734893.db2.gz HLLDMWGIJMXEIU-CYBMUJFWSA-N 0 1 321.346 3.624 20 30 DHEDMN COc1ccc(OCCC[N@@H+](CCC#N)CC(C)(C)C)cc1 ZINC000524811608 1018097207 /nfs/dbraw/zinc/09/72/07/1018097207.db2.gz DLGSINXHMFEZQA-UHFFFAOYSA-N 0 1 304.434 3.726 20 30 DHEDMN COc1ccc(OCCCN(CCC#N)CC(C)(C)C)cc1 ZINC000524811608 1018097221 /nfs/dbraw/zinc/09/72/21/1018097221.db2.gz DLGSINXHMFEZQA-UHFFFAOYSA-N 0 1 304.434 3.726 20 30 DHEDMN C=CCN(CC1CCCCC1)C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000185618780 1018122109 /nfs/dbraw/zinc/12/21/09/1018122109.db2.gz BFROYIZQJOFBKN-UHFFFAOYSA-N 0 1 324.428 3.680 20 30 DHEDMN C=C(Cl)COc1ccc([C@H](C)NCc2cc(C)n[nH]2)cc1 ZINC000766086469 1018217306 /nfs/dbraw/zinc/21/73/06/1018217306.db2.gz LJUWODJLNNSRIL-ZDUSSCGKSA-N 0 1 305.809 3.700 20 30 DHEDMN C=C(C)[C@H](N[C@@H](C)c1n[nH]c(CC)n1)c1ccc(F)c(F)c1 ZINC000660311030 1018241877 /nfs/dbraw/zinc/24/18/77/1018241877.db2.gz CZRYGQZBDCJQQD-BONVTDFDSA-N 0 1 306.360 3.613 20 30 DHEDMN Oc1c(Cl)cccc1C=NNCc1cnc2ccccc2c1 ZINC000764777912 1018377339 /nfs/dbraw/zinc/37/73/39/1018377339.db2.gz FKUOIIMXZGHTDS-UHFFFAOYSA-N 0 1 311.772 3.718 20 30 DHEDMN CN(C)c1ccc(C=NNCc2cnc3ccccc3c2)cc1F ZINC000764787311 1018383821 /nfs/dbraw/zinc/38/38/21/1018383821.db2.gz BXPMDERSCXTETM-UHFFFAOYSA-N 0 1 322.387 3.564 20 30 DHEDMN COc1ccc(Br)c(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000447560350 1018425186 /nfs/dbraw/zinc/42/51/86/1018425186.db2.gz CNCQBZQWOCYNOM-WCQYABFASA-N 0 1 323.234 3.630 20 30 DHEDMN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NCc1ccc(C#N)o1 ZINC000174410338 1018426500 /nfs/dbraw/zinc/42/65/00/1018426500.db2.gz ADLZHWRUVBMRAA-BDJLRTHQSA-N 0 1 304.777 3.670 20 30 DHEDMN C[C@H](NCc1cnn(-c2ccccc2)c1)c1cccc(C#N)c1 ZINC000174431057 1018429778 /nfs/dbraw/zinc/42/97/78/1018429778.db2.gz BSTFDMWEMPCRPB-HNNXBMFYSA-N 0 1 302.381 3.595 20 30 DHEDMN C=CCN(CC=C)C(=O)[C@@H](C)Sc1nc2ccc(C)cc2[nH]1 ZINC000022734162 1018457431 /nfs/dbraw/zinc/45/74/31/1018457431.db2.gz GDGCGKJDHCUCHK-CYBMUJFWSA-N 0 1 315.442 3.553 20 30 DHEDMN CC(C)(C)c1[nH]n(CCCC2CCOCC2)c(=O)c1CCC#N ZINC000447793489 1018477045 /nfs/dbraw/zinc/47/70/45/1018477045.db2.gz GKQURPPJHKENGC-UHFFFAOYSA-N 0 1 319.449 3.549 20 30 DHEDMN N#Cc1ccc([C@@H](O)CNC2(c3ccccc3Cl)CC2)cc1 ZINC000829478665 1018601686 /nfs/dbraw/zinc/60/16/86/1018601686.db2.gz DGLZEHJBEQUWJP-KRWDZBQOSA-N 0 1 312.800 3.524 20 30 DHEDMN CC[C@@H](C#N)Oc1cccc(CNCc2csc(C#N)c2)c1 ZINC000921743793 1018741731 /nfs/dbraw/zinc/74/17/31/1018741731.db2.gz ROQKNCWDDOFIKI-HNNXBMFYSA-N 0 1 311.410 3.591 20 30 DHEDMN Cn1nccc1[C@@H]1CCCCN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000619622799 1018783298 /nfs/dbraw/zinc/78/32/98/1018783298.db2.gz XWGKGDYOGXYRPL-IBGZPJMESA-N 0 1 322.456 3.948 20 30 DHEDMN N#Cc1cc(F)c(N[C@@H]2CCN(Cc3ccccc3)C2)c(F)c1 ZINC000109810494 1018812091 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N#Cc1cc(CN[C@H](c2ccc(F)cc2)[C@H]2CCCO2)cs1 ZINC000921616237 1019114588 /nfs/dbraw/zinc/11/45/88/1019114588.db2.gz KWULETXODHWMGF-IAGOWNOFSA-N 0 1 316.401 3.769 20 30 DHEDMN Cc1cc(C#N)cc(C)c1CN[C@H]1CCOc2c(F)cccc21 ZINC000922038396 1019353953 /nfs/dbraw/zinc/35/39/53/1019353953.db2.gz CLSPOWXCNMUTMZ-SFHVURJKSA-N 0 1 310.372 3.928 20 30 DHEDMN N#Cc1ccc(CNCc2nccc3c2CCCC3)cc1Cl ZINC000922110317 1019461078 /nfs/dbraw/zinc/46/10/78/1019461078.db2.gz YHMHQNVZIOANBZ-UHFFFAOYSA-N 0 1 311.816 3.775 20 30 DHEDMN COC(=O)c1cc(CN[C@H](C)c2cccc(C#N)c2)c(C)s1 ZINC000611388191 1019462506 /nfs/dbraw/zinc/46/25/06/1019462506.db2.gz LASGFFPAHGTPPE-LLVKDONJSA-N 0 1 314.410 3.566 20 30 DHEDMN CC(C)c1cccc(NC(=O)CN[C@H](C)c2cccc(C#N)c2)c1 ZINC000611389267 1019462670 /nfs/dbraw/zinc/46/26/70/1019462670.db2.gz RSCYIWMTBPQIKF-OAHLLOKOSA-N 0 1 321.424 3.971 20 30 DHEDMN CC(C)Oc1ncccc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611390842 1019473998 /nfs/dbraw/zinc/47/39/98/1019473998.db2.gz UVPWCHHDWQWDPX-IBGZPJMESA-N 0 1 321.424 3.908 20 30 DHEDMN Cc1cc([C@H]2CCCN(c3cc(Cl)ccc3C#N)C2)[nH]n1 ZINC000282159506 1019519748 /nfs/dbraw/zinc/51/97/48/1019519748.db2.gz CTIVRHQBBXDZQH-ZDUSSCGKSA-N 0 1 300.793 3.627 20 30 DHEDMN C[C@@H]1C[C@@H](N[C@H](C#N)c2ccccc2)CN1Cc1ccccc1 ZINC001171721378 1032842136 /nfs/dbraw/zinc/84/21/36/1032842136.db2.gz QFNYXQUJHBLJHX-NSISKUIASA-N 0 1 305.425 3.504 20 30 DHEDMN C[C@@H]1C[C@H](N[C@H](C#N)c2ccccc2)CN1Cc1ccccc1 ZINC001171721377 1032845047 /nfs/dbraw/zinc/84/50/47/1032845047.db2.gz QFNYXQUJHBLJHX-LSTHTHJFSA-N 0 1 305.425 3.504 20 30 DHEDMN COc1cc(OC)c(C(C)=NNc2ccc(C)cn2)cc1Cl ZINC000727260232 1019678042 /nfs/dbraw/zinc/67/80/42/1019678042.db2.gz SYYXPINYSNKOQU-UHFFFAOYSA-N 0 1 319.792 3.897 20 30 DHEDMN Cc1ccc(-c2cc(C(=O)O[C@H](C)c3cccc(C#N)c3)[nH]n2)o1 ZINC000727636319 1019742117 /nfs/dbraw/zinc/74/21/17/1019742117.db2.gz IXVQUPQJIPFRJF-GFCCVEGCSA-N 0 1 321.336 3.768 20 30 DHEDMN COc1ccccc1C=NNc1ccc([N+](=O)[O-])cc1Cl ZINC000727652186 1019746468 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CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@H](C)C(C)C)cc1 ZINC000733679402 1020422568 /nfs/dbraw/zinc/42/25/68/1020422568.db2.gz ZIIGYIHRARTPOW-PBHICJAKSA-N 0 1 314.429 3.969 20 30 DHEDMN Cc1nc2cc(F)ccc2cc1C(=O)Nc1cc(C#N)ccc1O ZINC000179734180 1020436235 /nfs/dbraw/zinc/43/62/35/1020436235.db2.gz ZTKDUGISPLZUGC-UHFFFAOYSA-N 0 1 321.311 3.512 20 30 DHEDMN CC(=NNc1cnnc2ccccc21)c1ccc(C)c(C)c1O ZINC000733747889 1020437851 /nfs/dbraw/zinc/43/78/51/1020437851.db2.gz WOJQTKFIGXAMGD-UHFFFAOYSA-N 0 1 306.369 3.788 20 30 DHEDMN Fc1ccc(NN=C2CCCOc3ccc(Cl)cc32)nc1 ZINC000733747132 1020437903 /nfs/dbraw/zinc/43/79/03/1020437903.db2.gz GKTZDCTXSZZQDE-UHFFFAOYSA-N 0 1 305.740 3.863 20 30 DHEDMN C=CCN(Cc1ccccc1F)C(=O)c1cc(C)cc2c[nH]nc21 ZINC000338682074 1020442010 /nfs/dbraw/zinc/44/20/10/1020442010.db2.gz ULYQKDSOAWAAES-UHFFFAOYSA-N 0 1 323.371 3.839 20 30 DHEDMN CC(C)(C)n1ncc2c1CCC[C@H]2NCc1csc(C#N)c1 ZINC000921687605 1020449954 /nfs/dbraw/zinc/44/99/54/1020449954.db2.gz IMKGBVRGYJAFJF-OAHLLOKOSA-N 0 1 314.458 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C#Cc1cccc(NC(=O)[C@@H]2CCCCN2Cc2ccccc2)c1 ZINC000741143913 1020986234 /nfs/dbraw/zinc/98/62/34/1020986234.db2.gz ABJDDQKBBINNEM-FQEVSTJZSA-N 0 1 318.420 3.661 20 30 DHEDMN COc1cc(Cl)c(Cl)cc1C(=O)C(C#N)c1ccccn1 ZINC000175099920 1021018169 /nfs/dbraw/zinc/01/81/69/1021018169.db2.gz KAQNWOQJNFIBNZ-SNVBAGLBSA-N 0 1 321.163 3.887 20 30 DHEDMN C[C@H]1Cc2ccccc2C[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000741797422 1021054980 /nfs/dbraw/zinc/05/49/80/1021054980.db2.gz MTSQPPGRMUGAOV-INIZCTEOSA-N 0 1 306.409 3.774 20 30 DHEDMN C=CC[C@@H](CC)NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000282084078 1032950789 /nfs/dbraw/zinc/95/07/89/1032950789.db2.gz XXPDHBLXZQIXMC-SECBINFHSA-N 0 1 308.332 3.977 20 30 DHEDMN Cc1ccc(-c2n[nH]cc2CNCc2cc(C#N)ccc2F)cc1 ZINC000742380796 1021108490 /nfs/dbraw/zinc/10/84/90/1021108490.db2.gz LKOLZULISMAXAX-UHFFFAOYSA-N 0 1 320.371 3.686 20 30 DHEDMN Cc1c(NC(=O)c2ccc(C#N)c(O)c2)cccc1C(F)(F)F ZINC000188751039 1021167552 /nfs/dbraw/zinc/16/75/52/1021167552.db2.gz NTWATNFOUOEAAJ-UHFFFAOYSA-N 0 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N#CC(C(=O)NC1CCCCC1)C(=O)C1CC2(C1)CCCCC2 ZINC000850757546 1021641368 /nfs/dbraw/zinc/64/13/68/1021641368.db2.gz LYKFDXLIQLLOFG-MRXNPFEDSA-N 0 1 316.445 3.505 20 30 DHEDMN CCOC1(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)CCC1 ZINC000850829279 1021660656 /nfs/dbraw/zinc/66/06/56/1021660656.db2.gz HUKGSETZWXTMJG-LLVKDONJSA-N 0 1 318.373 3.571 20 30 DHEDMN CC[C@@H](C#N)Oc1cccc(CNCC#Cc2ccccc2)c1 ZINC000892973091 1021754312 /nfs/dbraw/zinc/75/43/12/1021754312.db2.gz NDQXUFJVUMIQHD-IBGZPJMESA-N 0 1 304.393 3.509 20 30 DHEDMN N#Cc1cccc(NC(=O)c2ccc(C(F)(F)F)c(O)c2)c1 ZINC000619580800 1021797072 /nfs/dbraw/zinc/79/70/72/1021797072.db2.gz MIBYJEQSFVWJRC-UHFFFAOYSA-N 0 1 306.243 3.535 20 30 DHEDMN COc1cc(CN2C[C@H](C(F)(F)F)CC[C@@H]2C)ccc1C#N ZINC000619674714 1021825431 /nfs/dbraw/zinc/82/54/31/1021825431.db2.gz CXLQMKCMUBDBRH-SMDDNHRTSA-N 0 1 312.335 3.730 20 30 DHEDMN C[C@@H](C#N)Oc1ccc(CNCc2ccc3ccccc3n2)cc1 ZINC000728712188 1021871480 /nfs/dbraw/zinc/87/14/80/1021871480.db2.gz YHKJQCKZXYYXMP-HNNXBMFYSA-N 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C=CCNC(=O)[C@H](C)NC(c1ccccc1C)c1ccccc1C ZINC000183934008 1022565318 /nfs/dbraw/zinc/56/53/18/1022565318.db2.gz BTSLMMBYZFLFPB-KRWDZBQOSA-N 0 1 322.452 3.673 20 30 DHEDMN COc1ccc2ccc(O)c(C[N@@H+](CCC#N)CC3CC3)c2c1 ZINC000103459705 1022579258 /nfs/dbraw/zinc/57/92/58/1022579258.db2.gz AAASRLQYSUQRPJ-UHFFFAOYSA-N 0 1 310.397 3.680 20 30 DHEDMN N#Cc1ccc(CN(Cc2cccc(F)c2)C[C@H]2CCCO2)cc1 ZINC000053220953 1022605455 /nfs/dbraw/zinc/60/54/55/1022605455.db2.gz NHRKGIHTAQFKEI-HXUWFJFHSA-N 0 1 324.399 3.879 20 30 DHEDMN CC[C@@H](CC#N)N[C@H](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000184084411 1022696703 /nfs/dbraw/zinc/69/67/03/1022696703.db2.gz ZHSQPXQWAHFJGG-OLZOCXBDSA-N 0 1 307.825 3.647 20 30 DHEDMN C[C@H]1CC(N=Nc2ccnc(F)c2)CN(Cc2ccccc2)C1 ZINC000767387279 1022708875 /nfs/dbraw/zinc/70/88/75/1022708875.db2.gz ZCBVJEKGBPAJLX-AWEZNQCLSA-N 0 1 312.392 3.531 20 30 DHEDMN COc1ccc([C@H](C)NCc2ccc(OCC#N)cc2)c(F)c1 ZINC000180559116 1022764062 /nfs/dbraw/zinc/76/40/62/1022764062.db2.gz PHOADHVQZCNMIL-ZDUSSCGKSA-N 0 1 314.360 3.587 20 30 DHEDMN C[C@@H](Cc1ccc(C#N)cc1)N(CCC#N)Cc1ccccc1 ZINC001172308205 1033079537 /nfs/dbraw/zinc/07/95/37/1033079537.db2.gz JDUBUXBFXCOLLK-KRWDZBQOSA-N 0 1 303.409 3.905 20 30 DHEDMN CCn1cc(C=NN=c2[nH]c3ccccc3n2C)c2ccccc21 ZINC000728777109 1022782539 /nfs/dbraw/zinc/78/25/39/1022782539.db2.gz ZMQSAKQLMFQZKZ-UHFFFAOYSA-N 0 1 317.396 3.994 20 30 DHEDMN C[C@@H](Cc1ccc(C#N)cc1)N1CCOC[C@@H]1c1ccccc1 ZINC001172316745 1033080879 /nfs/dbraw/zinc/08/08/79/1033080879.db2.gz WUVNRERVRXWIPM-OXJNMPFZSA-N 0 1 306.409 3.563 20 30 DHEDMN COc1ccc(NN=Cc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000767801755 1022813350 /nfs/dbraw/zinc/81/33/50/1022813350.db2.gz TUIYQSZGIZGLOS-UHFFFAOYSA-N 0 1 305.721 3.703 20 30 DHEDMN COc1ccc(N=NCc2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000767803308 1022813902 /nfs/dbraw/zinc/81/39/02/1022813902.db2.gz LFXSQQALZSALGX-UHFFFAOYSA-N 0 1 311.297 3.796 20 30 DHEDMN COc1cccc2c1CCN(Cc1ccc(O[C@H](C)C#N)cc1)C2 ZINC000180784813 1022817784 /nfs/dbraw/zinc/81/77/84/1022817784.db2.gz FTAPRTIWJKBOEJ-OAHLLOKOSA-N 0 1 322.408 3.544 20 30 DHEDMN Cc1nn(C)cc1CN=Nc1c(Cl)cc(F)cc1Cl ZINC000767910881 1022843483 /nfs/dbraw/zinc/84/34/83/1022843483.db2.gz YCJFBRIGWBVOOZ-UHFFFAOYSA-N 0 1 301.152 3.620 20 30 DHEDMN COCCCC[C@H](NCc1cc(C#N)ccn1)c1ccccc1 ZINC001169978852 1022865441 /nfs/dbraw/zinc/86/54/41/1022865441.db2.gz FTTMLEPYGHVKMJ-IBGZPJMESA-N 0 1 309.413 3.601 20 30 DHEDMN C#CCOc1ccc(CN(C)Cc2ccc(F)c(F)c2)cc1 ZINC000768263496 1022935215 /nfs/dbraw/zinc/93/52/15/1022935215.db2.gz SLLZZJDCMFDJKD-UHFFFAOYSA-N 0 1 301.336 3.609 20 30 DHEDMN N#Cc1cc(Cl)nc(NN=C2CCc3c2cc(F)cc3F)c1 ZINC000768367479 1022953333 /nfs/dbraw/zinc/95/33/33/1022953333.db2.gz RRZUIYYGVZRLBL-UHFFFAOYSA-N 0 1 318.714 3.647 20 30 DHEDMN CC(=NNc1nc2cccnc2s1)c1coc(C(C)C)n1 ZINC000857217909 1022968734 /nfs/dbraw/zinc/96/87/34/1022968734.db2.gz BWYKYWRFIMJWSW-UHFFFAOYSA-N 0 1 301.375 3.639 20 30 DHEDMN CC(C)(C)c1nc(C=NN=c2[nH]c3cccnc3s2)cs1 ZINC000857219618 1022969599 /nfs/dbraw/zinc/96/95/99/1022969599.db2.gz LGGKQVHFSBCYIF-UHFFFAOYSA-N 0 1 317.443 3.891 20 30 DHEDMN CC(C)(C#N)C[C@@H](O)CNc1ccc(N2CCCCCC2)cc1 ZINC000857238591 1022975299 /nfs/dbraw/zinc/97/52/99/1022975299.db2.gz WOMKYCKFPOZSGI-GOSISDBHSA-N 0 1 315.461 3.780 20 30 DHEDMN N#Cc1ccc(CN[C@H]2CCOc3c(Cl)cccc32)s1 ZINC000176954523 1023038526 /nfs/dbraw/zinc/03/85/26/1023038526.db2.gz PBGFHTRXMQCNHE-AWEZNQCLSA-N 0 1 304.802 3.887 20 30 DHEDMN CCN(C[C@H](C)C#N)C[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000876617277 1033106183 /nfs/dbraw/zinc/10/61/83/1033106183.db2.gz JBCOKZFKUWKAQG-CVEARBPZSA-N 0 1 323.481 3.505 20 30 DHEDMN C#CCCOc1ccc(CN2CCOC3(CCCCC3)C2)cc1 ZINC000769493029 1023166129 /nfs/dbraw/zinc/16/61/29/1023166129.db2.gz QTXLXWGNFGSYQS-UHFFFAOYSA-N 0 1 313.441 3.624 20 30 DHEDMN CCOC(=O)c1ccc(C=NNc2c(F)cccc2Cl)o1 ZINC000769827094 1023223191 /nfs/dbraw/zinc/22/31/91/1023223191.db2.gz NPIJSJVONZMAAQ-UHFFFAOYSA-N 0 1 310.712 3.695 20 30 DHEDMN O=[N+]([O-])c1cc(NN=Cc2ccc(O)c(Cl)c2)ccc1F ZINC000769828019 1023223997 /nfs/dbraw/zinc/22/39/97/1023223997.db2.gz BWYUOSUFGIKVMC-UHFFFAOYSA-N 0 1 309.684 3.539 20 30 DHEDMN Fc1cccc(Cl)c1NN=Cc1cc(-c2cccnc2)n[nH]1 ZINC000769828427 1023224112 /nfs/dbraw/zinc/22/41/12/1023224112.db2.gz FKKRSTKCXMNYBD-UHFFFAOYSA-N 0 1 315.739 3.710 20 30 DHEDMN COc1cc(CN=Nc2c(F)cccc2Cl)ccc1[N+](=O)[O-] ZINC000769829679 1023225168 /nfs/dbraw/zinc/22/51/68/1023225168.db2.gz ICQBBRDZUZZVGF-UHFFFAOYSA-N 0 1 323.711 3.842 20 30 DHEDMN C#C[C@H](C)N(C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000769975374 1023254592 /nfs/dbraw/zinc/25/45/92/1023254592.db2.gz DWXNHANMKIOSLN-SFHVURJKSA-N 0 1 302.421 3.840 20 30 DHEDMN C#CCOc1ccc(CNc2ccc3c(c2)nc(C)n3C)cc1 ZINC000770591405 1023328289 /nfs/dbraw/zinc/32/82/89/1023328289.db2.gz BLMAYAHCCTWSFC-UHFFFAOYSA-N 0 1 305.381 3.506 20 30 DHEDMN N#Cc1ccc(OCCN[C@H](c2ccco2)c2ccccc2)cc1 ZINC000181716262 1023383878 /nfs/dbraw/zinc/38/38/78/1023383878.db2.gz QONSHFSCMKOLEE-FQEVSTJZSA-N 0 1 318.376 3.909 20 30 DHEDMN C=CC[C@H]1CCCC[C@@H]1NCc1noc(-c2cncc(C)c2)n1 ZINC000661114722 1023484014 /nfs/dbraw/zinc/48/40/14/1023484014.db2.gz KQAUZOXLNCIZPT-HOCLYGCPSA-N 0 1 312.417 3.665 20 30 DHEDMN C=CCOC(=O)c1[nH]c(-c2cccc(C(F)(F)F)c2)nc1C ZINC000772031346 1023509321 /nfs/dbraw/zinc/50/93/21/1023509321.db2.gz AECVYUPTOBVXKB-UHFFFAOYSA-N 0 1 310.275 3.747 20 30 DHEDMN C[C@@H](C(=O)OCc1ccc(Cl)cc1C#N)N1[C@H](C)CC[C@@H]1C ZINC000772141282 1023518998 /nfs/dbraw/zinc/51/89/98/1023518998.db2.gz GBWPPFYNWGFXBW-XQQFMLRXSA-N 0 1 320.820 3.516 20 30 DHEDMN C=CC[C@@H]1CCCN(CC(=O)Nc2ccccc2OC(F)F)C1 ZINC000661376955 1023580211 /nfs/dbraw/zinc/58/02/11/1023580211.db2.gz HOLPZWUJPSXCAO-CYBMUJFWSA-N 0 1 324.371 3.515 20 30 DHEDMN CCCC(C)(C)CC(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC000786311344 1023682835 /nfs/dbraw/zinc/68/28/35/1023682835.db2.gz QZSHICTWYAUATI-ZDUSSCGKSA-N 0 1 316.401 3.559 20 30 DHEDMN N#Cc1ccc(CN2CCC[C@@H]2c2cccc3c2OCCO3)cc1 ZINC000066900069 1023706090 /nfs/dbraw/zinc/70/60/90/1023706090.db2.gz WMEUCHBFCSIMAE-GOSISDBHSA-N 0 1 320.392 3.667 20 30 DHEDMN C#CCCCCCC(=O)C(C#N)C(=O)N[C@@H](CC)c1ccccc1 ZINC000787032726 1023752018 /nfs/dbraw/zinc/75/20/18/1023752018.db2.gz FJGODCYQLGMJQM-MSOLQXFVSA-N 0 1 324.424 3.546 20 30 DHEDMN Cc1c(C(C)N=Nc2cnnc3ccccc23)cnn1C(C)(C)C ZINC000787157554 1023770694 /nfs/dbraw/zinc/77/06/94/1023770694.db2.gz JERQMMAVRBHHHR-UHFFFAOYSA-N 0 1 322.416 3.726 20 30 DHEDMN C=C[C@@H]1CCCCN1Cc1ccc(OC(=O)C2CC2)c(OC)c1 ZINC000787311581 1023787275 /nfs/dbraw/zinc/78/72/75/1023787275.db2.gz VZVMWKJOGRPVAS-MRXNPFEDSA-N 0 1 315.413 3.551 20 30 DHEDMN COc1cc([N+](=O)[O-])ccc1N=NC(C)c1ccccc1F ZINC000746679427 1023791277 /nfs/dbraw/zinc/79/12/77/1023791277.db2.gz GLIKJXVMTBNYRF-UHFFFAOYSA-N 0 1 303.293 3.579 20 30 DHEDMN COc1cc([N+](=O)[O-])ccc1N=NCc1ccc(Cl)cc1 ZINC000746679768 1023793257 /nfs/dbraw/zinc/79/32/57/1023793257.db2.gz LTMUPCGKQGOKCI-UHFFFAOYSA-N 0 1 305.721 3.703 20 30 DHEDMN O=C(/C=C\c1ncc(C(F)(F)F)s1)c1ccc(O)c(F)c1 ZINC000788354886 1023874566 /nfs/dbraw/zinc/87/45/66/1023874566.db2.gz JKMWYDUPVVQSEN-ARJAWSKDSA-N 0 1 317.263 3.903 20 30 DHEDMN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)Nc1ccccc1SC ZINC000662079074 1023890248 /nfs/dbraw/zinc/89/02/48/1023890248.db2.gz FSJSCKMCHWSKLP-SOUVJXGZSA-N 0 1 316.470 3.919 20 30 DHEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccn(CCc2ccccc2)n1 ZINC000662088667 1023896654 /nfs/dbraw/zinc/89/66/54/1023896654.db2.gz MNHYOKJHPMLQNL-BGYRXZFFSA-N 0 1 307.441 3.809 20 30 DHEDMN C[C@H](N[C@@H]1COCc2ccccc21)c1ccc(OCC#N)cc1 ZINC000788650998 1023914656 /nfs/dbraw/zinc/91/46/56/1023914656.db2.gz ZNEBBRLFNNGAMZ-IFXJQAMLSA-N 0 1 308.381 3.511 20 30 DHEDMN Oc1c(Cl)cc(Cl)cc1/C=N/CCOC(F)(F)F ZINC000788675642 1023917241 /nfs/dbraw/zinc/91/72/41/1023917241.db2.gz YGAKOBUUJXRBPS-FZSIALSZSA-N 0 1 302.079 3.654 20 30 DHEDMN N#Cc1ccc2c(c1)CC[C@H]2N[C@@H]1CCc2ccc(Cl)nc21 ZINC000788793249 1023939739 /nfs/dbraw/zinc/93/97/39/1023939739.db2.gz BMJQUMBOFNOQKS-HZPDHXFCSA-N 0 1 309.800 3.871 20 30 DHEDMN CN(CC#Cc1ccc(C(F)(F)F)cc1)CC1=CCSC1 ZINC000662268886 1024045454 /nfs/dbraw/zinc/04/54/54/1024045454.db2.gz OWOMFPQJYNSQTN-UHFFFAOYSA-N 0 1 311.372 3.662 20 30 DHEDMN C=CCOc1ccc(CN[C@H](C)c2nc3ccccc3n2C)cc1 ZINC000267088730 1024048339 /nfs/dbraw/zinc/04/83/39/1024048339.db2.gz RWZXNBIRYOKVGV-OAHLLOKOSA-N 0 1 321.424 3.989 20 30 DHEDMN Cc1ncsc1CNCC#Cc1ccc(C(F)(F)F)cc1 ZINC000267075863 1024049591 /nfs/dbraw/zinc/04/95/91/1024049591.db2.gz JIITWPTXNPQSTO-UHFFFAOYSA-N 0 1 310.344 3.612 20 30 DHEDMN N#Cc1ccc(CN2CCC(OCc3ccccc3)CC2)c(F)c1 ZINC000053897151 1024083407 /nfs/dbraw/zinc/08/34/07/1024083407.db2.gz MTXMRQUQYYOVBQ-UHFFFAOYSA-N 0 1 324.399 3.879 20 30 DHEDMN C=CCC[C@@H](O)CN1CCC[C@@H]1c1nc2ccccc2n1CC ZINC000268464330 1024116630 /nfs/dbraw/zinc/11/66/30/1024116630.db2.gz LGIRGUXECVFQIN-CRAIPNDOSA-N 0 1 313.445 3.520 20 30 DHEDMN CC(N=Nc1ccc(Br)cc1Cl)c1ncc[nH]1 ZINC000790172158 1024234610 /nfs/dbraw/zinc/23/46/10/1024234610.db2.gz KYVMLXHAPPYCBH-UHFFFAOYSA-N 0 1 313.586 3.662 20 30 DHEDMN Oc1ccc(Cl)c(F)c1C=NNc1nncc2ccccc21 ZINC000790144379 1024228833 /nfs/dbraw/zinc/22/88/33/1024228833.db2.gz PUBFLVRQJYZFQJ-UHFFFAOYSA-N 0 1 316.723 3.574 20 30 DHEDMN COc1cc(C(C)=NNc2ncccc2C)ccc1SC ZINC000790185570 1024237671 /nfs/dbraw/zinc/23/76/71/1024237671.db2.gz GBXNBRMZMJNUDQ-UHFFFAOYSA-N 0 1 301.415 3.957 20 30 DHEDMN Cc1cccnc1NN=Cc1ccccc1OCC(F)(F)F ZINC000790191595 1024240756 /nfs/dbraw/zinc/24/07/56/1024240756.db2.gz XBJNZOWKTNQGAL-UHFFFAOYSA-N 0 1 309.291 3.777 20 30 DHEDMN COc1ccc(Br)c(CN=Nc2ncccc2C)c1 ZINC000790193014 1024241957 /nfs/dbraw/zinc/24/19/57/1024241957.db2.gz OGLWIXKTGAQJFP-UHFFFAOYSA-N 0 1 320.190 3.607 20 30 DHEDMN Cc1ccc(C(=O)/C=C\c2nccn2-c2ccccc2)c(O)c1 ZINC000790222456 1024255528 /nfs/dbraw/zinc/25/55/28/1024255528.db2.gz QXCPWEDXBLXODL-KTKRTIGZSA-N 0 1 304.349 3.782 20 30 DHEDMN C=CCC[C@H](COc1ccccc1)N[C@H]1C[C@@H](C)n2ccnc21 ZINC000883227143 1024303423 /nfs/dbraw/zinc/30/34/23/1024303423.db2.gz LUVFWSCLKSROHB-NUJGCVRESA-N 0 1 311.429 3.892 20 30 DHEDMN C#CCOc1ccc([C@H](C)NCc2ccc(C)nc2Cl)cc1 ZINC000883302147 1024357619 /nfs/dbraw/zinc/35/76/19/1024357619.db2.gz RUGXCYZXGSPCID-AWEZNQCLSA-N 0 1 314.816 3.906 20 30 DHEDMN C[C@@H](NCc1cnc([C@@H]2CCCO2)s1)c1ccc(C#N)cc1 ZINC000270183941 1024362602 /nfs/dbraw/zinc/36/26/02/1024362602.db2.gz GJQVDQZQMQARBR-WBMJQRKESA-N 0 1 313.426 3.717 20 30 DHEDMN C#CC[C@H](NCc1cnc(N(CC)CC)s1)c1ccccc1 ZINC000270189152 1024364270 /nfs/dbraw/zinc/36/42/70/1024364270.db2.gz KQJIWQXOZSSIKR-KRWDZBQOSA-N 0 1 313.470 3.844 20 30 DHEDMN COc1cccc2c1OCCC[C@H]2NCc1ccc(C#N)c(C)c1 ZINC000883329874 1024384549 /nfs/dbraw/zinc/38/45/49/1024384549.db2.gz SUGMDMVFZLFCBN-GOSISDBHSA-N 0 1 322.408 3.879 20 30 DHEDMN C=C(C)C[C@H](CO)N[C@H](C)c1csc(-c2ccccc2F)n1 ZINC000883392779 1024424875 /nfs/dbraw/zinc/42/48/75/1024424875.db2.gz ONMPPLZPTIIALI-CHWSQXEVSA-N 0 1 320.433 3.927 20 30 DHEDMN C#CCOc1ccc([C@H](C)NCc2cc(F)ccc2F)cc1 ZINC000133023946 1024555895 /nfs/dbraw/zinc/55/58/95/1024555895.db2.gz LJKSEXDPQGXNMC-ZDUSSCGKSA-N 0 1 301.336 3.828 20 30 DHEDMN COc1ccc([C@@H](C)NCc2ccc(C#N)cc2OC)cc1F ZINC000182011328 1024558416 /nfs/dbraw/zinc/55/84/16/1024558416.db2.gz YOQGBTOQRZZFNA-GFCCVEGCSA-N 0 1 314.360 3.565 20 30 DHEDMN N#CC(C(=O)[C@@H]1CC1(Cl)Cl)c1nccc2ccccc21 ZINC000792102599 1024626198 /nfs/dbraw/zinc/62/61/98/1024626198.db2.gz IRKAYLRDNURLNM-RYUDHWBXSA-N 0 1 305.164 3.605 20 30 DHEDMN C#CCCCN(C)Cc1ccc(Br)cc1Cl ZINC000792411522 1024667882 /nfs/dbraw/zinc/66/78/82/1024667882.db2.gz XYNYAKGGEQBCNW-UHFFFAOYSA-N 0 1 300.627 3.948 20 30 DHEDMN Cc1c(NC(=O)C(C)(C)C)ccnc1N[C@H]1CC[C@H](C#N)CC1 ZINC001167842501 1024673106 /nfs/dbraw/zinc/67/31/06/1024673106.db2.gz LFOOXQITINYFOH-HDJSIYSDSA-N 0 1 314.433 3.869 20 30 DHEDMN C[C@@H](Cc1ccccc1Cl)N1CCC2SC(=O)C=C2C1 ZINC001170277290 1024734110 /nfs/dbraw/zinc/73/41/10/1024734110.db2.gz RVVBPPXIXSJHMK-XHDPSFHLSA-N 0 1 307.846 3.545 20 30 DHEDMN C[C@H](c1ccc(F)cc1)N(C)Cc1cnc2ccc(C#N)cn12 ZINC000349745884 1024746581 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CC[C@@H](C)n1nc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cc1C ZINC000350915680 1024863209 /nfs/dbraw/zinc/86/32/09/1024863209.db2.gz AXIASOFLPQTGBO-DGCLKSJQSA-N 0 1 321.384 3.529 20 30 DHEDMN CC[C@@H](C)n1nc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)cc1C ZINC000350915680 1024863223 /nfs/dbraw/zinc/86/32/23/1024863223.db2.gz AXIASOFLPQTGBO-DGCLKSJQSA-N 0 1 321.384 3.529 20 30 DHEDMN Cc1nn(-c2ccccc2)cc1C=NNc1cccc(Cl)n1 ZINC000793161698 1024906088 /nfs/dbraw/zinc/90/60/88/1024906088.db2.gz KVOVAIJQHILRNC-UHFFFAOYSA-N 0 1 311.776 3.675 20 30 DHEDMN C[C@H]1CC(N=Nc2cccc(Cl)n2)CN1Cc1ccccc1 ZINC000793181201 1024927926 /nfs/dbraw/zinc/92/79/26/1024927926.db2.gz LBADKNAUJZJJNJ-ZDUSSCGKSA-N 0 1 314.820 3.797 20 30 DHEDMN C=CCOc1ccc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc1Cl ZINC000263387976 1024959618 /nfs/dbraw/zinc/95/96/18/1024959618.db2.gz YGWBEMMLKYFDBS-JSGCOSHPSA-N 0 1 323.820 3.590 20 30 DHEDMN Cc1ccc(CCC(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)o1 ZINC000747124753 1025060247 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CC(C)(CC(=O)C(C#N)C(=O)Nc1ccccc1Cl)C1CC1 ZINC000815908069 1028647085 /nfs/dbraw/zinc/64/70/85/1028647085.db2.gz RJMZADIXPJVQQD-GFCCVEGCSA-N 0 1 318.804 3.814 20 30 DHEDMN N#CC(C(=O)CCCC1CCCCC1)C(=O)NC1CCCC1 ZINC000076603865 1028676759 /nfs/dbraw/zinc/67/67/59/1028676759.db2.gz KADYXRSCXDBNAM-MRXNPFEDSA-N 0 1 304.434 3.505 20 30 DHEDMN Cc1c(C(=O)/C=C/c2cc(Cl)c(O)cc2Cl)cnn1C ZINC000778519974 1028682501 /nfs/dbraw/zinc/68/25/01/1028682501.db2.gz VNWSOCLNPKEYEB-ONEGZZNKSA-N 0 1 311.168 3.637 20 30 DHEDMN CC(C)CCn1nc(CN[C@@H]2CC[C@H](C#N)C2)c2ccccc21 ZINC000449488838 1028699154 /nfs/dbraw/zinc/69/91/54/1028699154.db2.gz LPKOVENLNNINMQ-JKSUJKDBSA-N 0 1 310.445 3.864 20 30 DHEDMN CCn1ncc2c1CCC[C@@H]2N[C@@H](C)c1ccc(C#N)s1 ZINC000371484638 1028721606 /nfs/dbraw/zinc/72/16/06/1028721606.db2.gz FYHJTUYXDIDASJ-FZMZJTMJSA-N 0 1 300.431 3.564 20 30 DHEDMN N#Cc1cc(F)ccc1CN[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000371554453 1028730654 /nfs/dbraw/zinc/73/06/54/1028730654.db2.gz QCWQXRIRDJDWPP-APWZRJJASA-N 0 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ZINC000819432518 1029557045 /nfs/dbraw/zinc/55/70/45/1029557045.db2.gz AMKHOPIWXXDSBQ-UHFFFAOYSA-N 0 1 306.365 3.633 20 30 DHEDMN CCCCCCCCCC(=O)N1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000819966145 1029627869 /nfs/dbraw/zinc/62/78/69/1029627869.db2.gz LLEMEKIZFLPDJJ-CQSZACIVSA-N 0 1 323.437 3.622 20 30 DHEDMN CCCCCCCCCC(=O)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000819966145 1029627876 /nfs/dbraw/zinc/62/78/76/1029627876.db2.gz LLEMEKIZFLPDJJ-CQSZACIVSA-N 0 1 323.437 3.622 20 30 DHEDMN C[C@@H]1CCCC[C@@H]1C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000819943229 1029629494 /nfs/dbraw/zinc/62/94/94/1029629494.db2.gz CRDQXYVAIOFMDJ-UGFHNGPFSA-N 0 1 318.804 3.814 20 30 DHEDMN C=CCC1(C(=O)N[C@@H](C)c2n[nH]c([C@@H](C)CC)n2)CCCC1 ZINC000451159337 1029806461 /nfs/dbraw/zinc/80/64/61/1029806461.db2.gz CWKXBOUSLGFZIS-STQMWFEESA-N 0 1 304.438 3.632 20 30 DHEDMN C=C[C@@H]1OCCC[C@H]1NCc1csc(-c2ccc(C)o2)n1 ZINC000451674599 1029963424 /nfs/dbraw/zinc/96/34/24/1029963424.db2.gz NOZPSNZGBYXDNB-KGLIPLIRSA-N 0 1 304.415 3.535 20 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313.828 3.875 20 30 DHEDMN C(=NNc1cncnc1)c1cccc(OCc2ccccc2)c1 ZINC000794976057 1030468292 /nfs/dbraw/zinc/46/82/92/1030468292.db2.gz BYDIIBBDDDSYMU-UHFFFAOYSA-N 0 1 304.353 3.502 20 30 DHEDMN CC(C)c1csc(C(C#N)C(=O)c2c3ccccc3nn2C)n1 ZINC000358433241 1030487245 /nfs/dbraw/zinc/48/72/45/1030487245.db2.gz UAUNZZXGQOUKJY-LBPRGKRZSA-N 0 1 324.409 3.643 20 30 DHEDMN FC(F)(F)c1cc(Cl)cc(CN=Nc2cncnc2)c1 ZINC000794979603 1030502045 /nfs/dbraw/zinc/50/20/45/1030502045.db2.gz JVJMMMBMYRSQAR-UHFFFAOYSA-N 0 1 300.671 3.595 20 30 DHEDMN CCO[C@H](C)C(=O)Nc1nc(-c2cccc3ccccc32)n[nH]1 ZINC000066484611 1030511585 /nfs/dbraw/zinc/51/15/85/1030511585.db2.gz NLDFKEBBUGMOIM-LLVKDONJSA-N 0 1 310.357 3.638 20 30 DHEDMN COc1ccc(CN[C@@H](C)c2ccc(C#N)cc2F)cc1F ZINC000358556539 1030534560 /nfs/dbraw/zinc/53/45/60/1030534560.db2.gz MJIVMTSNASWLHB-NSHDSACASA-N 0 1 302.324 3.696 20 30 DHEDMN C[C@H](NCc1ccccc1-n1cccn1)c1ccc(C#N)cc1F ZINC000358554421 1030535394 /nfs/dbraw/zinc/53/53/94/1030535394.db2.gz 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ZINC000483099629 1035224980 /nfs/dbraw/zinc/22/49/80/1035224980.db2.gz RCDJKFZAJLHDPX-MRXNPFEDSA-N 0 1 310.372 3.695 20 30 DHEDMN CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(C#N)c1 ZINC000160858846 1035256787 /nfs/dbraw/zinc/25/67/87/1035256787.db2.gz WIANVIZVJYESCT-UHFFFAOYSA-N 0 1 307.372 3.981 20 30 DHEDMN C=CCN(CCc1ccco1)Cc1ccc(Br)o1 ZINC000483321305 1035258818 /nfs/dbraw/zinc/25/88/18/1035258818.db2.gz OTNLXKGGXKGFKZ-UHFFFAOYSA-N 0 1 310.191 3.866 20 30 DHEDMN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC(C)=C(C)C1 ZINC000483368515 1035262919 /nfs/dbraw/zinc/26/29/19/1035262919.db2.gz CNZKLOFQIWOTDD-INIZCTEOSA-N 0 1 318.486 3.693 20 30 DHEDMN Cc1cc([C@H]2CCCCN2CC#Cc2cccc(Cl)c2)n[nH]1 ZINC001176486824 1035278953 /nfs/dbraw/zinc/27/89/53/1035278953.db2.gz YRLOAUIOGHAXAI-GOSISDBHSA-N 0 1 313.832 3.950 20 30 DHEDMN Clc1ccc(C#CCN2CCCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC001176927667 1035336651 /nfs/dbraw/zinc/33/66/51/1035336651.db2.gz VOUZNCBTHBGTAJ-MSOLQXFVSA-N 0 1 303.833 3.725 20 30 DHEDMN CC#CCN[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000484545682 1035359376 /nfs/dbraw/zinc/35/93/76/1035359376.db2.gz WKRGUKZOILOAGO-SFHVURJKSA-N 0 1 307.372 3.530 20 30 DHEDMN Cc1cc(C)cc([C@@H](C)NC(=O)C(C#N)Cc2cccs2)c1 ZINC001177915542 1035398525 /nfs/dbraw/zinc/39/85/25/1035398525.db2.gz OMQZPFVVOBHZKH-GDBMZVCRSA-N 0 1 312.438 3.925 20 30 DHEDMN C[C@@H]1C[C@@H](NC(=O)C(C#N)Cc2cccs2)CC(C)(C)C1 ZINC001177914826 1035398825 /nfs/dbraw/zinc/39/88/25/1035398825.db2.gz FBBMSPNOYYFCEN-MGPQQGTHSA-N 0 1 304.459 3.761 20 30 DHEDMN CN(C)c1ccc(C#N)cc1CNCc1coc2ccccc12 ZINC001178782058 1035447322 /nfs/dbraw/zinc/44/73/22/1035447322.db2.gz ARQVVPOLPRJJDD-UHFFFAOYSA-N 0 1 305.381 3.660 20 30 DHEDMN CC(C)(NCc1ccc(-c2cc[nH]n2)o1)c1cccc(C#N)c1 ZINC001179140907 1035466274 /nfs/dbraw/zinc/46/62/74/1035466274.db2.gz UPXNLCBPSXVTSE-UHFFFAOYSA-N 0 1 306.369 3.566 20 30 DHEDMN C=C[C@](C)(CC)C(=O)Nc1nc(-c2cc3ccccc3o2)n[nH]1 ZINC000485108264 1035476268 /nfs/dbraw/zinc/47/62/68/1035476268.db2.gz TVOBOLZKDSGDTL-QGZVFWFLSA-N 0 1 310.357 3.759 20 30 DHEDMN CN(C)Cc1cccc(C(=O)/C=C\c2c(C3CCC3)cnn2C)c1 ZINC000905078237 1035478744 /nfs/dbraw/zinc/47/87/44/1035478744.db2.gz OUZFOVBYHYFQAU-KHPPLWFESA-N 0 1 323.440 3.645 20 30 DHEDMN CN(C)c1ccc(C#N)cc1CNc1ccc2c(n1)CCCC2 ZINC001179516405 1035480452 /nfs/dbraw/zinc/48/04/52/1035480452.db2.gz YLDLDOBIAXXQIW-UHFFFAOYSA-N 0 1 306.413 3.510 20 30 DHEDMN N#CCS(=O)(=O)Nc1ccc2c3c(cccc31)-c1ccccc1-2 ZINC001192978797 1035534882 /nfs/dbraw/zinc/53/48/82/1035534882.db2.gz HGBZPSNPSKRCKW-UHFFFAOYSA-N 0 1 320.373 3.752 20 30 DHEDMN C#CCCN1CCN([C@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC001193045845 1035535949 /nfs/dbraw/zinc/53/59/49/1035535949.db2.gz YKHQEGJPCRMDOX-CYBMUJFWSA-N 0 1 311.256 3.695 20 30 DHEDMN C#C[C@H](N[C@H](C)c1ccc(OCC(=C)Cl)cc1)[C@@H]1CCCO1 ZINC000775575394 1035565441 /nfs/dbraw/zinc/56/54/41/1035565441.db2.gz WXKDVWKAUOOZRL-JLSDUUJJSA-N 0 1 319.832 3.649 20 30 DHEDMN C#C[C@H](N[C@H](CC)c1ccccc1OC(F)F)[C@H]1CCCO1 ZINC000775575453 1035565907 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ZINC001193513065 1035656694 /nfs/dbraw/zinc/65/66/94/1035656694.db2.gz YXYDEDTYBKDXOX-QGZVFWFLSA-N 0 1 308.381 3.781 20 30 DHEDMN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1cc2ccccc2o1 ZINC000191366808 1035684376 /nfs/dbraw/zinc/68/43/76/1035684376.db2.gz MHDJKHAVUSLOBA-GJZGRUSLSA-N 0 1 312.413 3.673 20 30 DHEDMN C=C1O[C@@H](CC)C(=O)C1Oc1c(C#N)ccc(Cl)c1Cl ZINC001234428461 1035788874 /nfs/dbraw/zinc/78/88/74/1035788874.db2.gz STCBZCBTZZBNEF-JTQLQIEISA-N 0 1 312.152 3.853 20 30 DHEDMN C#CCOCCNC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001194101887 1035843270 /nfs/dbraw/zinc/84/32/70/1035843270.db2.gz RDXJKHBXZXVXDG-UHFFFAOYSA-N 0 1 317.738 3.587 20 30 DHEDMN COC[C@H](NCc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000193282896 1035859290 /nfs/dbraw/zinc/85/92/90/1035859290.db2.gz FZJWLQSTHIWUAO-KRWDZBQOSA-N 0 1 300.789 3.689 20 30 DHEDMN N#Cc1cccc(C2(NCc3cc(Cl)cc(C#N)c3)CC2)c1 ZINC001194262236 1035893233 /nfs/dbraw/zinc/89/32/33/1035893233.db2.gz LLKYUIVFGRZHBA-UHFFFAOYSA-N 0 1 307.784 3.862 20 30 DHEDMN C#CCN(Cc1ccccc1)Cc1cc2ccc(F)cc2[nH]c1=O ZINC001181638779 1035948891 /nfs/dbraw/zinc/94/88/91/1035948891.db2.gz VSICJZWVDCNAIK-UHFFFAOYSA-N 0 1 320.367 3.715 20 30 DHEDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000609109474 1035983578 /nfs/dbraw/zinc/98/35/78/1035983578.db2.gz LNDAPEKWMIFOTP-UHFFFAOYSA-N 0 1 320.327 3.648 20 30 DHEDMN CCCCCCCCOC(=O)NCCN1CCC(F)CC1 ZINC001194752855 1036004308 /nfs/dbraw/zinc/00/43/08/1036004308.db2.gz QUUBQBKEBNTHQY-UHFFFAOYSA-N 0 1 302.434 3.507 20 30 DHEDMN CC(C)[C@]1(C)C[C@H]1C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000773979326 1036109781 /nfs/dbraw/zinc/10/97/81/1036109781.db2.gz HJAYKZPNQIJNKI-PEBVRCNWSA-N 0 1 318.804 3.670 20 30 DHEDMN C#CCCCCCCCCC(=O)Nc1cc(=O)[nH]c(Cl)n1 ZINC001182185817 1036117370 /nfs/dbraw/zinc/11/73/70/1036117370.db2.gz RXOFDCXPLXUXCS-UHFFFAOYSA-N 0 1 309.797 3.528 20 30 DHEDMN C#CCOc1ccccc1CNCc1ccccc1COC(C)C ZINC000914582258 1036140659 /nfs/dbraw/zinc/14/06/59/1036140659.db2.gz ZTGGHWXYDNRLNT-UHFFFAOYSA-N 0 1 323.436 3.913 20 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/nfs/dbraw/zinc/22/62/08/1039226208.db2.gz PROGTEHTXGZKHD-AWEZNQCLSA-N 0 1 310.397 3.735 20 30 DHEDMN CC1(C)[C@H](c2cccc(F)c2)CCN1Cc1ccncc1C#N ZINC000599629035 1039235840 /nfs/dbraw/zinc/23/58/40/1039235840.db2.gz FIQCYYUPHFDQHJ-SFHVURJKSA-N 0 1 309.388 3.860 20 30 DHEDMN N#CCSCCCN1CCc2cccc(C(F)(F)F)c2C1 ZINC000599637952 1039243212 /nfs/dbraw/zinc/24/32/12/1039243212.db2.gz YEUJYKFYPJBYTF-UHFFFAOYSA-N 0 1 314.376 3.710 20 30 DHEDMN CC1=C(c2ccco2)CN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000593030091 1039361090 /nfs/dbraw/zinc/36/10/90/1039361090.db2.gz GSMIJNFVGKWYPW-UHFFFAOYSA-N 0 1 323.352 3.739 20 30 DHEDMN Cc1ccccc1C1(NCc2ccc(C#N)cc2[N+](=O)[O-])CCC1 ZINC000593038810 1039365696 /nfs/dbraw/zinc/36/56/96/1039365696.db2.gz ILRGZRHUGZMELX-UHFFFAOYSA-N 0 1 321.380 3.944 20 30 DHEDMN C=CCSCCN[C@@H](c1ccc(OC)cc1)c1ccccn1 ZINC000593708173 1039590731 /nfs/dbraw/zinc/59/07/31/1039590731.db2.gz SUUIMHLPRGCLCW-SFHVURJKSA-N 0 1 314.454 3.688 20 30 DHEDMN N#Cc1ccc(C2(NCC#Cc3ccc(F)cc3)CCC2)cc1 ZINC000594033032 1039670528 /nfs/dbraw/zinc/67/05/28/1039670528.db2.gz FAFQEYFPALGQKD-UHFFFAOYSA-N 0 1 304.368 3.718 20 30 DHEDMN Cc1ccc(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)c(C)c1 ZINC000605363421 1039672655 /nfs/dbraw/zinc/67/26/55/1039672655.db2.gz YSLIQURSAIGFAP-HNNXBMFYSA-N 0 1 303.365 3.978 20 30 DHEDMN N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000574634157 1039762707 /nfs/dbraw/zinc/76/27/07/1039762707.db2.gz KMXJVFAKKJHKCB-PBHICJAKSA-N 0 1 304.821 3.603 20 30 DHEDMN N#Cc1cc(Cl)ccc1CN1CCC[C@H]1[C@@H]1CCCOC1 ZINC000574634157 1039762715 /nfs/dbraw/zinc/76/27/15/1039762715.db2.gz KMXJVFAKKJHKCB-PBHICJAKSA-N 0 1 304.821 3.603 20 30 DHEDMN N#CC(C(=O)c1cc2occc2s1)c1nc2ccccc2[nH]1 ZINC000606144144 1039781199 /nfs/dbraw/zinc/78/11/99/1039781199.db2.gz BFWWJOPRAPWZNF-VIFPVBQESA-N 0 1 307.334 3.861 20 30 DHEDMN Cc1cc(CNCc2cccc(OC3CC3)c2F)ccc1C#N ZINC000594971850 1039948104 /nfs/dbraw/zinc/94/81/04/1039948104.db2.gz QKRLKSQWVQVZQV-UHFFFAOYSA-N 0 1 310.372 3.837 20 30 DHEDMN C[C@H](O)[C@@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccccc1F ZINC000594950940 1039960831 /nfs/dbraw/zinc/96/08/31/1039960831.db2.gz VNQXFYYRRGJNSZ-IFXJQAMLSA-N 0 1 324.399 3.593 20 30 DHEDMN CC(=O)Nc1cccc(CNC2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594031459 1039961820 /nfs/dbraw/zinc/96/18/20/1039961820.db2.gz GTFNYJIOFUKWKM-UHFFFAOYSA-N 0 1 319.408 3.686 20 30 DHEDMN N#Cc1ccc(CNC[C@@H](OC2CCCC2)C(F)(F)F)cc1 ZINC000594965704 1039970775 /nfs/dbraw/zinc/97/07/75/1039970775.db2.gz CQOYRRJCKQLIBX-OAHLLOKOSA-N 0 1 312.335 3.538 20 30 DHEDMN COc1cccc(C2(NCc3ccc(C#N)cc3F)CCC2)c1 ZINC000594998303 1040012199 /nfs/dbraw/zinc/01/21/99/1040012199.db2.gz VVMSELQLAGBRSC-UHFFFAOYSA-N 0 1 310.372 3.875 20 30 DHEDMN C=CCN(CCOc1ccccc1OC)Cc1cccc(C#N)c1 ZINC000063299784 1040189581 /nfs/dbraw/zinc/18/95/81/1040189581.db2.gz CMLLTIXHTUDZAB-UHFFFAOYSA-N 0 1 322.408 3.634 20 30 DHEDMN Cc1cccc(NC(=O)CNC(C)(C)c2cccc(C#N)c2)c1C ZINC000595637351 1040199128 /nfs/dbraw/zinc/19/91/28/1040199128.db2.gz YMSDTEJOVUIXQW-UHFFFAOYSA-N 0 1 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3.642 20 30 DHEDMN C[C@H](c1ccccc1Cl)N1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000559034367 331967006 /nfs/dbraw/zinc/96/70/06/331967006.db2.gz NHXHWNSPYOAKNZ-OAGGEKHMSA-N 0 1 317.864 3.711 20 30 DHEDMN C[C@H](c1ccc(Cl)cc1)N1CCN(CCC(C)(C)C#N)CC1 ZINC000536472999 332250227 /nfs/dbraw/zinc/25/02/27/332250227.db2.gz WLRAASOCWGLQSF-OAHLLOKOSA-N 0 1 319.880 3.958 20 30 DHEDMN C=C(C)CN(CC)C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000531079623 332250424 /nfs/dbraw/zinc/25/04/24/332250424.db2.gz HRPPIZACKLVZRO-MRXNPFEDSA-N 0 1 323.868 3.550 20 30 DHEDMN C=CCN(CCc1csc(C)n1)Cc1cccc([N+](=O)[O-])c1 ZINC000119610252 332255767 /nfs/dbraw/zinc/25/57/67/332255767.db2.gz JITFLEOYZCELGL-UHFFFAOYSA-N 0 1 317.414 3.590 20 30 DHEDMN C=C(C)CCNCc1csc(COc2ccc(OC)cc2)n1 ZINC000449480810 332269602 /nfs/dbraw/zinc/26/96/02/332269602.db2.gz ZUYPUCGBHGJNNM-UHFFFAOYSA-N 0 1 318.442 3.787 20 30 DHEDMN Cc1nsc(NC[C@@H](c2cccs2)N2CCCC2)c1C#N ZINC000559593414 332273390 /nfs/dbraw/zinc/27/33/90/332273390.db2.gz 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/nfs/dbraw/zinc/12/75/92/335127592.db2.gz RRCQNDPAZHQATR-UHFFFAOYSA-N 0 1 318.486 3.695 20 30 DHEDMN N#C[C@@H]1CCC[C@@H](NCc2cc(F)ccc2Br)C1 ZINC000185788292 333214131 /nfs/dbraw/zinc/21/41/31/333214131.db2.gz NYMMOHVHIHDDBV-ZWNOBZJWSA-N 0 1 311.198 3.760 20 30 DHEDMN COc1cccc([C@H](N[C@H]2CCC[C@@H](C#N)C2)c2cccnc2)c1 ZINC000364044984 333226562 /nfs/dbraw/zinc/22/65/62/333226562.db2.gz YEBGWEGLNFEDIF-BPAFIMBUSA-N 0 1 321.424 3.852 20 30 DHEDMN Cc1cccc2c1OCC[C@H]2NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000188878928 333252776 /nfs/dbraw/zinc/25/27/76/333252776.db2.gz AIODZEKNTNVNNZ-HNAYVOBHSA-N 0 1 322.408 3.899 20 30 DHEDMN COc1cc(CN2CC[C@@H](C(F)(F)F)C2(C)C)ccc1C#N ZINC000319069419 333252793 /nfs/dbraw/zinc/25/27/93/333252793.db2.gz YGQMHYHLSJIWGY-CQSZACIVSA-N 0 1 312.335 3.730 20 30 DHEDMN COCCN(Cc1cccnc1)Cc1ccccc1C(C)(C)C#N ZINC000191248110 333278643 /nfs/dbraw/zinc/27/86/43/333278643.db2.gz NXGDTVCJYOHAOD-UHFFFAOYSA-N 0 1 323.440 3.531 20 30 DHEDMN CCc1ccc([C@@H]2CN(CC(C)(C)CCC#N)CCO2)cc1 ZINC000191669127 333281411 /nfs/dbraw/zinc/28/14/11/333281411.db2.gz NASJNZXFKXWSHV-SFHVURJKSA-N 0 1 300.446 3.952 20 30 DHEDMN C=CCN1CCC([NH2+][C@H](C)c2ccc3ccccc3c2[O-])CC1 ZINC000185383840 335132492 /nfs/dbraw/zinc/13/24/92/335132492.db2.gz OMGKMJDTFBRJBB-OAHLLOKOSA-N 0 1 310.441 3.846 20 30 DHEDMN C=CCOc1ccc(CN[C@H](COC)c2ccc(F)cc2)cc1 ZINC000531444762 333354169 /nfs/dbraw/zinc/35/41/69/333354169.db2.gz SWRQXVDEPXSOAP-LJQANCHMSA-N 0 1 315.388 3.868 20 30 DHEDMN N#Cc1ccc(CN(Cc2ccc3c(n2)CCC3)C2CC2)cc1 ZINC000563090457 333386537 /nfs/dbraw/zinc/38/65/37/333386537.db2.gz SHECXWRARJTOJJ-UHFFFAOYSA-N 0 1 303.409 3.607 20 30 DHEDMN CCc1cccc2c1OCC[C@@H]2NCc1ccc(OC)c(C#N)c1 ZINC000266169218 333971617 /nfs/dbraw/zinc/97/16/17/333971617.db2.gz BPKUDLVSUSLMBB-SFHVURJKSA-N 0 1 322.408 3.743 20 30 DHEDMN CC[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccccc1SCC#N ZINC000271439995 334023278 /nfs/dbraw/zinc/02/32/78/334023278.db2.gz BRWJIISAMCOENM-ZIAGYGMSSA-N 0 1 317.458 3.504 20 30 DHEDMN CCCCOc1cc(CN2CCC(C)(C#N)CC2)ccc1OC ZINC000272558473 334037201 /nfs/dbraw/zinc/03/72/01/334037201.db2.gz SUDDESAEKXNORQ-UHFFFAOYSA-N 0 1 316.445 4.000 20 30 DHEDMN CC[C@H](CC#N)N[C@@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000273888779 334052832 /nfs/dbraw/zinc/05/28/32/334052832.db2.gz SQVBQEXWCBLKKI-QWHCGFSZSA-N 0 1 307.825 3.647 20 30 DHEDMN CC[C@@](C)(C#N)C(=O)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000285892402 334150559 /nfs/dbraw/zinc/15/05/59/334150559.db2.gz XOGJTNYUUUDUHA-LIRRHRJNSA-N 0 1 324.428 3.517 20 30 DHEDMN N#CCCOCCN(Cc1cccs1)Cc1cccs1 ZINC000293625558 334199826 /nfs/dbraw/zinc/19/98/26/334199826.db2.gz WJTPWVCXMCOUHV-UHFFFAOYSA-N 0 1 306.456 3.742 20 30 DHEDMN N#C[C@H]1CC[C@@H](N2CCN(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000293924034 334203468 /nfs/dbraw/zinc/20/34/68/334203468.db2.gz YDRFDBJTQMUPSH-XJKSGUPXSA-N 0 1 323.362 3.520 20 30 DHEDMN CCOc1cc(CN[C@H](CCC#N)c2ccccc2)ccc1O ZINC000297790123 334244239 /nfs/dbraw/zinc/24/42/39/334244239.db2.gz WRVXOTSUBDSKFA-QGZVFWFLSA-N 0 1 310.397 3.926 20 30 DHEDMN N#Cc1ccc(CNCc2cc(F)cc(Br)c2)cc1 ZINC000048625486 334295632 /nfs/dbraw/zinc/29/56/32/334295632.db2.gz NQXIANQCFMORBW-UHFFFAOYSA-N 0 1 319.177 3.750 20 30 DHEDMN N#Cc1ccc(CNCc2cccc(Br)c2)c(F)c1 ZINC000048818902 334301325 /nfs/dbraw/zinc/30/13/25/334301325.db2.gz AXZDJPMJDXDGPR-UHFFFAOYSA-N 0 1 319.177 3.750 20 30 DHEDMN C=CCCC(=O)Nc1cc(Br)cc(Cl)c1O ZINC000534941258 334349670 /nfs/dbraw/zinc/34/96/70/334349670.db2.gz SAOMKASFFOUZQW-UHFFFAOYSA-N 0 1 304.571 3.713 20 30 DHEDMN CCCN(Cc1ccc(C#N)cc1)Cc1cccc2c1OCO2 ZINC000535075001 334364964 /nfs/dbraw/zinc/36/49/64/334364964.db2.gz CTZXEDZEGSQZBA-UHFFFAOYSA-N 0 1 308.381 3.699 20 30 DHEDMN N#Cc1cccc(CN(CCO)[C@H]2CCCc3ccccc32)c1F ZINC000340839799 334388958 /nfs/dbraw/zinc/38/89/58/334388958.db2.gz YLVBSFDMVYNLSB-IBGZPJMESA-N 0 1 324.399 3.569 20 30 DHEDMN N#Cc1cccc(C2(NCc3cnn(-c4ccccc4)c3)CC2)c1 ZINC000341238046 334421312 /nfs/dbraw/zinc/42/13/12/334421312.db2.gz NWNZDGDDMAECOP-UHFFFAOYSA-N 0 1 314.392 3.523 20 30 DHEDMN C[C@H](NCc1cccc(C#N)c1F)c1ccccc1-n1cccn1 ZINC000341687388 334470443 /nfs/dbraw/zinc/47/04/43/334470443.db2.gz YYBHWYOGCUYEAT-AWEZNQCLSA-N 0 1 320.371 3.734 20 30 DHEDMN N#Cc1cccc(CN2CCC(c3ncccc3Cl)CC2)c1 ZINC000366775729 334541998 /nfs/dbraw/zinc/54/19/98/334541998.db2.gz WNLDVRPQMZUTDC-UHFFFAOYSA-N 0 1 311.816 3.986 20 30 DHEDMN CC1(CNC(=O)c2c(O)cc(Cl)cc2Cl)CCOCC1 ZINC000331222472 334847026 /nfs/dbraw/zinc/84/70/26/334847026.db2.gz BMBLQDKJMLYCHH-UHFFFAOYSA-N 0 1 318.200 3.820 20 30 DHEDMN N#Cc1cscc1C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000343952535 335207524 /nfs/dbraw/zinc/20/75/24/335207524.db2.gz SDBXVJDQSFPAGG-UHFFFAOYSA-N 0 1 318.308 3.686 20 30 DHEDMN CC[C@@]1(C)CCN([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000344226476 335230199 /nfs/dbraw/zinc/23/01/99/335230199.db2.gz XUWMXNQYZXYDTP-PXAZEXFGSA-N 0 1 319.836 3.661 20 30 DHEDMN Cc1ccc2nc(NC(=O)C[C@H](CC#N)c3ccccc3)[nH]c2c1 ZINC000344480454 335252793 /nfs/dbraw/zinc/25/27/93/335252793.db2.gz NLCNCHJXBHUGMX-HNNXBMFYSA-N 0 1 318.380 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ABQUQJPHWJCWAO-UHFFFAOYSA-N 0 1 318.424 3.764 20 30 DHEDMN CC[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1c(C)nn(C)c1C ZINC000346150508 335382192 /nfs/dbraw/zinc/38/21/92/335382192.db2.gz YKBAMXOGJIAKIH-APPDUMDISA-N 0 1 314.408 3.850 20 30 DHEDMN Cc1ccc2nc(CN[C@H](C)c3ccc(C#N)c(F)c3)[nH]c2c1 ZINC000346159568 335383505 /nfs/dbraw/zinc/38/35/05/335383505.db2.gz HSKIQZPBYMOHPD-GFCCVEGCSA-N 0 1 308.360 3.733 20 30 DHEDMN N#CCCCCN[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000346555619 335415280 /nfs/dbraw/zinc/41/52/80/335415280.db2.gz JEYNZZMHQRZQRJ-KRWDZBQOSA-N 0 1 301.340 3.733 20 30 DHEDMN COC[C@H](NCc1ccc(C#N)c(F)c1)c1cccc(Cl)c1 ZINC000582204999 335784468 /nfs/dbraw/zinc/78/44/68/335784468.db2.gz SRTPNOCWLBAESS-KRWDZBQOSA-N 0 1 318.779 3.828 20 30 DHEDMN CC1(C)CCC(NC(=O)[C@@H](C2CC2)N2CCCC2)(C(N)=O)CC1 ZINC000329593745 335999291 /nfs/dbraw/zinc/99/92/91/335999291.db2.gz UTBADRHOCWBSOH-CQSZACIVSA-N 0 1 321.465 3.692 20 30 DHEDMN COCCN(Cc1cc(C#N)cs1)[C@@H](C)c1ccccc1 ZINC000351581229 336046971 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C=C(C)CN(Cc1ccc(CO)o1)Cc1cccc2cccnc21 ZINC000352795238 336237477 /nfs/dbraw/zinc/23/74/77/336237477.db2.gz CUZIVWWYZLDCEW-UHFFFAOYSA-N 0 1 322.408 3.898 20 30 DHEDMN CN(C)[C@H](CNc1cccc(C(F)F)c1C#N)c1ccco1 ZINC000580382311 336262415 /nfs/dbraw/zinc/26/24/15/336262415.db2.gz NVADSVRXDOJPPR-CQSZACIVSA-N 0 1 305.328 3.804 20 30 DHEDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC000182610972 336274435 /nfs/dbraw/zinc/27/44/35/336274435.db2.gz JYIKPCBXSHTAQJ-AWEZNQCLSA-N 0 1 309.369 3.968 20 30 DHEDMN Cc1ccc([C@H](CNc2c(C#N)cccc2C#N)N2CCCC2)o1 ZINC000302902551 336373887 /nfs/dbraw/zinc/37/38/87/336373887.db2.gz UEXXRENZVACKFA-KRWDZBQOSA-N 0 1 320.396 3.580 20 30 DHEDMN C=C(C)CN(CCC(=O)OC(C)(C)C)Cc1cnn(C(C)C)c1 ZINC000352903813 336375691 /nfs/dbraw/zinc/37/56/91/336375691.db2.gz RQFBDPVXUKNXLC-UHFFFAOYSA-N 0 1 321.465 3.574 20 30 DHEDMN COc1cccc(C2=CCN(Cc3cccc(C#N)c3)CC2)c1 ZINC000352942987 336378492 /nfs/dbraw/zinc/37/84/92/336378492.db2.gz BGUXSMFMOCRZIN-UHFFFAOYSA-N 0 1 304.393 3.856 20 30 DHEDMN N#CC(CCSc1cn[nH]n1)(c1ccccc1)c1ccccc1 ZINC000193068346 336392908 /nfs/dbraw/zinc/39/29/08/336392908.db2.gz GUEXEWVAJIUHTN-UHFFFAOYSA-N 0 1 320.421 3.797 20 30 DHEDMN C=CCc1cc(CN[C@@H](C)c2cncc(F)c2)cc(OC)c1O ZINC000358999141 336652302 /nfs/dbraw/zinc/65/23/02/336652302.db2.gz XZBKYIBHOVAEKA-LBPRGKRZSA-N 0 1 316.376 3.514 20 30 DHEDMN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H](CO)c1cccc(F)c1 ZINC000360662031 336718019 /nfs/dbraw/zinc/71/80/19/336718019.db2.gz DDDMHAODKFYDMW-WOJBJXKFSA-N 0 1 324.399 3.788 20 30 DHEDMN COc1ccc([C@H](C)NCc2ccc(F)c(C#N)c2)c(OC)c1 ZINC000391602507 336959947 /nfs/dbraw/zinc/95/99/47/336959947.db2.gz RVJWWBGWBQFSCE-LBPRGKRZSA-N 0 1 314.360 3.565 20 30 DHEDMN N#Cc1ccc(CN2CCC(Cc3cccnc3)CC2)cc1F ZINC000375460817 337011589 /nfs/dbraw/zinc/01/15/89/337011589.db2.gz ZFOCTTRIBWYABK-UHFFFAOYSA-N 0 1 309.388 3.547 20 30 DHEDMN C=CCC[C@H](NCc1cccnc1-n1cccn1)c1ccco1 ZINC000375795322 337019741 /nfs/dbraw/zinc/01/97/41/337019741.db2.gz XABMQXFVYFUIBF-INIZCTEOSA-N 0 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AYLYZUZNZWVUKM-CQSZACIVSA-N 0 1 317.383 3.810 20 30 DHEDMN C[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000174882409 337145060 /nfs/dbraw/zinc/14/50/60/337145060.db2.gz NSZJXIAWVCTMEB-HZPDHXFCSA-N 0 1 323.440 3.858 20 30 DHEDMN C[C@@H]1CC[C@@H](C)N(CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000174882409 337145061 /nfs/dbraw/zinc/14/50/61/337145061.db2.gz NSZJXIAWVCTMEB-HZPDHXFCSA-N 0 1 323.440 3.858 20 30 DHEDMN C[C@@H](NCCSCc1ccccc1C#N)c1nccs1 ZINC000179410932 337167805 /nfs/dbraw/zinc/16/78/05/337167805.db2.gz SYMBMQGEROULPZ-GFCCVEGCSA-N 0 1 303.456 3.599 20 30 DHEDMN CO[C@@H](C)CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000182282158 337187877 /nfs/dbraw/zinc/18/78/77/337187877.db2.gz FHTJKWLIRLYHAY-HNNXBMFYSA-N 0 1 312.388 3.734 20 30 DHEDMN C[C@H](NCC(C)(C)CCC#N)c1nc(-c2cccc(F)c2)no1 ZINC000191533552 337298894 /nfs/dbraw/zinc/29/88/94/337298894.db2.gz UGIRVJFVQFETGE-LBPRGKRZSA-N 0 1 316.380 3.856 20 30 DHEDMN N#CCCC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000399314312 337315208 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COC(=O)c1ccc(Cl)c(CN2CCC(CCC#N)CC2)c1 ZINC000516283786 338009916 /nfs/dbraw/zinc/00/99/16/338009916.db2.gz JOPNRGHKYBWAPJ-UHFFFAOYSA-N 0 1 320.820 3.642 20 30 DHEDMN N#Cc1c(F)cccc1CN(C[C@@H]1CCCO1)C1CCCC1 ZINC000428249148 338044304 /nfs/dbraw/zinc/04/43/04/338044304.db2.gz RQOSALUCIHHAMT-INIZCTEOSA-N 0 1 302.393 3.621 20 30 DHEDMN CC[C@H](C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)N(C)C ZINC000428360029 338048716 /nfs/dbraw/zinc/04/87/16/338048716.db2.gz BDUHMJZADOTADC-QGZVFWFLSA-N 0 1 323.396 3.629 20 30 DHEDMN Cc1cscc1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1 ZINC000429340301 338078070 /nfs/dbraw/zinc/07/80/70/338078070.db2.gz HSZGISUFSSKFSD-SNVBAGLBSA-N 0 1 310.300 3.960 20 30 DHEDMN Cc1cscc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000429340301 338078071 /nfs/dbraw/zinc/07/80/71/338078071.db2.gz HSZGISUFSSKFSD-SNVBAGLBSA-N 0 1 310.300 3.960 20 30 DHEDMN CC1(C)Cc2c(cccc2Br)[C@@H]1NCC1(C#N)CC1 ZINC000429367463 338078659 /nfs/dbraw/zinc/07/86/59/338078659.db2.gz VIDBEYGMSHMQJB-AWEZNQCLSA-N 0 1 319.246 3.966 20 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20 30 DHEDMN CC(=Cc1ccc(C(C)(C)C)cc1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435341270 338237665 /nfs/dbraw/zinc/23/76/65/338237665.db2.gz VIFLNXQOOPTEQW-ZRDIBKRKSA-N 0 1 307.397 3.808 20 30 DHEDMN N#CCCCOc1cccc(CN2CCc3ccccc3C2)c1 ZINC000154418904 338242698 /nfs/dbraw/zinc/24/26/98/338242698.db2.gz YWNVDUIUVJCULD-UHFFFAOYSA-N 0 1 306.409 3.927 20 30 DHEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(C(C)C)nc3)[nH]c21 ZINC000435799276 338249820 /nfs/dbraw/zinc/24/98/20/338249820.db2.gz LPGXDOSENPINFH-CQSZACIVSA-N 0 1 318.380 3.880 20 30 DHEDMN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](CCc1ccccc1)C(F)F ZINC000436292755 338266703 /nfs/dbraw/zinc/26/67/03/338266703.db2.gz LXOALRFRTAYSSL-ULQDDVLXSA-N 0 1 309.400 3.824 20 30 DHEDMN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](CCc1ccccc1)C(F)F ZINC000436292753 338266742 /nfs/dbraw/zinc/26/67/42/338266742.db2.gz LXOALRFRTAYSSL-IKGGRYGDSA-N 0 1 309.400 3.824 20 30 DHEDMN N#CCc1ccc(CSc2nc(-c3ccccc3O)n[nH]2)cc1 ZINC000436830490 338288905 /nfs/dbraw/zinc/28/89/05/338288905.db2.gz VGFSNRCFMKCMQL-UHFFFAOYSA-N 0 1 322.393 3.536 20 30 DHEDMN Oc1cccc(CN(CC#Cc2ccc(F)cc2)CC2CC2)c1 ZINC000437008874 338297658 /nfs/dbraw/zinc/29/76/58/338297658.db2.gz XBFAOJWDEKTYCZ-UHFFFAOYSA-N 0 1 309.384 3.795 20 30 DHEDMN C=CCC[C@@H](CCC)NCc1ncn(Cc2cccc(F)c2)n1 ZINC000437090366 338300284 /nfs/dbraw/zinc/30/02/84/338300284.db2.gz APSWXSFUHOGCEI-QGZVFWFLSA-N 0 1 316.424 3.690 20 30 DHEDMN CN(Cc1c[nH]nc1-c1ccsc1)Cc1cccc(C#N)c1 ZINC000437596588 338315670 /nfs/dbraw/zinc/31/56/70/338315670.db2.gz ZOJYWTVFZLQXDA-UHFFFAOYSA-N 0 1 308.410 3.642 20 30 DHEDMN COc1ccc(C#N)cc1CN1CCSC2(CCCCC2)C1 ZINC000438461053 338344407 /nfs/dbraw/zinc/34/44/07/338344407.db2.gz DAZRBIBZXNMBMR-UHFFFAOYSA-N 0 1 316.470 3.819 20 30 DHEDMN C=CCSc1ccccc1NC(=O)CN1CC[C@H](C(C)C)C1 ZINC000438484617 338345695 /nfs/dbraw/zinc/34/56/95/338345695.db2.gz RORWHVUPIZIGRZ-HNNXBMFYSA-N 0 1 318.486 3.881 20 30 DHEDMN Cc1nc2c(cccc2C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)o1 ZINC000439025591 338358850 /nfs/dbraw/zinc/35/88/50/338358850.db2.gz XNEBVTZTJXHDAG-LBPRGKRZSA-N 0 1 316.320 3.503 20 30 DHEDMN Cc1nc2c(cccc2C(=O)C(C#N)c2nc3ccccc3[nH]2)o1 ZINC000439025591 338358851 /nfs/dbraw/zinc/35/88/51/338358851.db2.gz XNEBVTZTJXHDAG-LBPRGKRZSA-N 0 1 316.320 3.503 20 30 DHEDMN CCO[C@@H]1C[C@H](N(C)Cc2ccc(C#N)cc2Cl)C12CCC2 ZINC000439430205 338369021 /nfs/dbraw/zinc/36/90/21/338369021.db2.gz KWPZGAAEPOSTLO-DLBZAZTESA-N 0 1 318.848 3.991 20 30 DHEDMN N#Cc1ccc(C[N@@H+](CCO)CC2CCCCC2)c(Cl)c1 ZINC000439440296 338369544 /nfs/dbraw/zinc/36/95/44/338369544.db2.gz NRYUHTSIRDRAST-UHFFFAOYSA-N 0 1 306.837 3.586 20 30 DHEDMN Fc1ccc(C#CCN2CCC(OCC3CCCC3)CC2)cc1 ZINC000156696127 338379910 /nfs/dbraw/zinc/37/99/10/338379910.db2.gz DTRYWDDGDGLINX-UHFFFAOYSA-N 0 1 315.432 3.848 20 30 DHEDMN CCC[C@H]1[C@@H](C)CCCN1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000440763970 338396595 /nfs/dbraw/zinc/39/65/95/338396595.db2.gz UCFOLNDCUQPVPS-LRDDRELGSA-N 0 1 317.433 3.607 20 30 DHEDMN CCc1ccccc1NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000160761754 338564032 /nfs/dbraw/zinc/56/40/32/338564032.db2.gz OPUWQRDJERGGPD-UHFFFAOYSA-N 0 1 320.801 3.575 20 30 DHEDMN C=C[C@@H]1OCC[C@H]1NCc1cc(Cl)ccc1Br ZINC000449516361 338633895 /nfs/dbraw/zinc/63/38/95/338633895.db2.gz AANIBTFPMLZDBQ-OLZOCXBDSA-N 0 1 316.626 3.536 20 30 DHEDMN C[C@@H]1[C@@H](c2ccccc2)CCN1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459346227 339023448 /nfs/dbraw/zinc/02/34/48/339023448.db2.gz PYOHFTKUUJRBQB-PBHICJAKSA-N 0 1 321.380 3.844 20 30 DHEDMN C[C@H](NCc1c(C#N)cccc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000459393590 339026656 /nfs/dbraw/zinc/02/66/56/339026656.db2.gz WCXDJJKIFSGKNN-KGLIPLIRSA-N 0 1 309.369 3.748 20 30 DHEDMN N#Cc1cccc([N+](=O)[O-])c1CN[C@@H]1CCC[C@H]1c1ccccc1 ZINC000459420026 339028155 /nfs/dbraw/zinc/02/81/55/339028155.db2.gz FZTLROVWOMQQQO-FUHWJXTLSA-N 0 1 321.380 3.892 20 30 DHEDMN CCS[C@H]1CCCC[C@@H]1NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000459423151 339028380 /nfs/dbraw/zinc/02/83/80/339028380.db2.gz GKCYOKFJJDYIEN-HOCLYGCPSA-N 0 1 319.430 3.620 20 30 DHEDMN C(#Cc1ccccc1)CN1CCC2(CC1)OCCc1ccccc12 ZINC000459511227 339033386 /nfs/dbraw/zinc/03/33/86/339033386.db2.gz CRJFOCWVUNYWMB-UHFFFAOYSA-N 0 1 317.432 3.602 20 30 DHEDMN C=C[C@@H](C)NC(=O)NC[C@@H](c1ccccc1Cl)N(CC)CC ZINC000465216336 339171707 /nfs/dbraw/zinc/17/17/07/339171707.db2.gz JTGOQHPNCINOKO-CJNGLKHVSA-N 0 1 323.868 3.597 20 30 DHEDMN C=C(C)C[C@@H](C)C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000466244058 339197740 /nfs/dbraw/zinc/19/77/40/339197740.db2.gz JASVACPEXJAHML-IEBWSBKVSA-N 0 1 314.473 3.712 20 30 DHEDMN C=CCC[N@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000467292012 339230141 /nfs/dbraw/zinc/23/01/41/339230141.db2.gz YNAMYZVBLFHORH-UHFFFAOYSA-N 0 1 320.742 3.805 20 30 DHEDMN C=CCCN(C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000467292012 339230142 /nfs/dbraw/zinc/23/01/42/339230142.db2.gz YNAMYZVBLFHORH-UHFFFAOYSA-N 0 1 320.742 3.805 20 30 DHEDMN C=CCCN(C)Cc1csc(-c2cccc(C(=O)OC)c2)n1 ZINC000467301675 339230424 /nfs/dbraw/zinc/23/04/24/339230424.db2.gz QBXCWTQCYLYUBR-UHFFFAOYSA-N 0 1 316.426 3.605 20 30 DHEDMN C=CCCN(C)[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000467305079 339230755 /nfs/dbraw/zinc/23/07/55/339230755.db2.gz RBPFAIDPAAJTEO-SNVBAGLBSA-N 0 1 301.217 3.828 20 30 DHEDMN C=CCOc1ccc(CN2CCCC[C@H]2c2ccnn2C)cc1 ZINC000467547949 339241940 /nfs/dbraw/zinc/24/19/40/339241940.db2.gz WHOBQGYHRVFXGC-IBGZPJMESA-N 0 1 311.429 3.712 20 30 DHEDMN C=CCOCCCN[C@@H](C)c1nc(-c2ccc(CC)cc2)no1 ZINC000470771217 339327428 /nfs/dbraw/zinc/32/74/28/339327428.db2.gz FHCHWEFYQJWTMS-AWEZNQCLSA-N 0 1 315.417 3.542 20 30 DHEDMN Cn1c2ccccc2nc1C(C)(C)NCc1ccc(CC#N)cc1 ZINC000473164272 339383390 /nfs/dbraw/zinc/38/33/90/339383390.db2.gz VGYKLTXIPDHNNH-UHFFFAOYSA-N 0 1 318.424 3.664 20 30 DHEDMN COc1ccc2nc(-c3nc4ccc(C#N)cc4[nH]3)sc2c1 ZINC000473447899 339385522 /nfs/dbraw/zinc/38/55/22/339385522.db2.gz JVKSBKOJXCMQBZ-UHFFFAOYSA-N 0 1 306.350 3.720 20 30 DHEDMN C=CCN1CC[C@@H](N[C@@H](c2ccc(Cl)cc2F)C(C)C)C1=O ZINC000499628752 340041612 /nfs/dbraw/zinc/04/16/12/340041612.db2.gz WNXZIIJQYFCCLW-HZPDHXFCSA-N 0 1 324.827 3.553 20 30 DHEDMN C=CCN1CC[C@H](N[C@@H](c2ccc(Cl)cc2F)C(C)C)C1=O ZINC000499628754 340041710 /nfs/dbraw/zinc/04/17/10/340041710.db2.gz WNXZIIJQYFCCLW-JKSUJKDBSA-N 0 1 324.827 3.553 20 30 DHEDMN C=CC[C@H](C(=O)Nc1ncc(C(F)(F)F)[nH]1)c1ccccc1 ZINC000507027171 340205763 /nfs/dbraw/zinc/20/57/63/340205763.db2.gz KNWCQEPZGOTWTD-NSHDSACASA-N 0 1 309.291 3.727 20 30 DHEDMN COc1cccc(C2(NCC#Cc3ccccc3Cl)CC2)c1 ZINC000510167988 340291060 /nfs/dbraw/zinc/29/10/60/340291060.db2.gz GUFRYSQRROIONH-UHFFFAOYSA-N 0 1 311.812 3.979 20 30 DHEDMN C[C@@H](c1ccccc1)N(CC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000512263399 340354635 /nfs/dbraw/zinc/35/46/35/340354635.db2.gz SJGWSPBKXLGATK-HNNXBMFYSA-N 0 1 319.408 3.722 20 30 DHEDMN C[C@@H](O)C[C@H]1CCCCCN1CC#Cc1ccccc1Cl ZINC000512415680 340361136 /nfs/dbraw/zinc/36/11/36/340361136.db2.gz NYZSUHZXBKQQAJ-NVXWUHKLSA-N 0 1 305.849 3.707 20 30 DHEDMN C=CCOc1ccc(CNCc2ccnn2-c2ccccc2)cc1 ZINC000512511305 340364951 /nfs/dbraw/zinc/36/49/51/340364951.db2.gz FRJALUYQNKNYGI-UHFFFAOYSA-N 0 1 319.408 3.727 20 30 DHEDMN CC1(C)[C@H](C(F)(F)F)CCN1Cc1ccc(C#N)c(F)c1 ZINC000404085297 340377566 /nfs/dbraw/zinc/37/75/66/340377566.db2.gz RBVXSXULXDJDEY-CYBMUJFWSA-N 0 1 300.299 3.860 20 30 DHEDMN C=CCCC1(C(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)CC1 ZINC000530300345 340787051 /nfs/dbraw/zinc/78/70/51/340787051.db2.gz YLTDGMUUGQWQPE-MRXNPFEDSA-N 0 1 320.864 3.805 20 30 DHEDMN Fc1ccc(C#CCN2CCC(Cc3cccnc3)CC2)cc1 ZINC000538946439 340863117 /nfs/dbraw/zinc/86/31/17/340863117.db2.gz ZPRNOMBZAQLHGJ-UHFFFAOYSA-N 0 1 308.400 3.527 20 30 DHEDMN C=CCCC[C@@H](C)NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000540525427 340934967 /nfs/dbraw/zinc/93/49/67/340934967.db2.gz MFWGYNHUFYKYDJ-OAHLLOKOSA-N 0 1 309.413 3.722 20 30 DHEDMN C[C@@H](c1ccccc1Cl)N1CCN(CCC(C)(C)C#N)CC1 ZINC000540664144 340940811 /nfs/dbraw/zinc/94/08/11/340940811.db2.gz HZWGGJZTRWNYLO-HNNXBMFYSA-N 0 1 319.880 3.958 20 30 DHEDMN N#CCC1CCN(Cc2cnc(-c3cccs3)s2)CC1 ZINC000543780794 341058376 /nfs/dbraw/zinc/05/83/76/341058376.db2.gz OVVIZTPKZDNRFX-UHFFFAOYSA-N 0 1 303.456 3.997 20 30 DHEDMN CC(C)n1cc([C@H](C)NCC#Cc2ccc(Cl)cc2)cn1 ZINC000544469728 341083594 /nfs/dbraw/zinc/08/35/94/341083594.db2.gz QDPMAYIPXCAXAM-AWEZNQCLSA-N 0 1 301.821 3.820 20 30 DHEDMN N#Cc1ccc2ncc(CN(Cc3ccco3)C3CCCC3)n2c1 ZINC000132169854 341117823 /nfs/dbraw/zinc/11/78/23/341117823.db2.gz TZLQQQZNSAKFOC-UHFFFAOYSA-N 0 1 320.396 3.744 20 30 DHEDMN C=C(C)C[C@H](C)C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000545940641 341147465 /nfs/dbraw/zinc/14/74/65/341147465.db2.gz PSXROIIUZXELPI-XJKSGUPXSA-N 0 1 308.853 3.661 20 30 DHEDMN C[C@H](NCc1cnn(-c2ccccc2)c1)c1ccc(C#N)cc1 ZINC000075755833 341182033 /nfs/dbraw/zinc/18/20/33/341182033.db2.gz OLCGHEOHDKFPOW-HNNXBMFYSA-N 0 1 302.381 3.595 20 30 DHEDMN C[C@H]([C@H]1Cc2ccccc2O1)N(C)Cc1cc(C#N)ccc1F ZINC000134218870 341209804 /nfs/dbraw/zinc/20/98/04/341209804.db2.gz PHCICNKUHFBKBX-BFUOFWGJSA-N 0 1 310.372 3.521 20 30 DHEDMN COc1ccc(CNCC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000237324484 341211645 /nfs/dbraw/zinc/21/16/45/341211645.db2.gz CHWHLQBWRBNDKD-UHFFFAOYSA-N 0 1 319.326 3.855 20 30 DHEDMN COc1cc(C(=O)[C@H](C#N)c2nc(C)cs2)ccc1Cl ZINC000136093508 341252705 /nfs/dbraw/zinc/25/27/05/341252705.db2.gz NHEIMEWIAIYVLC-JTQLQIEISA-N 0 1 306.774 3.604 20 30 DHEDMN COc1cc(C(=O)C(C#N)c2nc(C)cs2)ccc1Cl ZINC000136093508 341252706 /nfs/dbraw/zinc/25/27/06/341252706.db2.gz NHEIMEWIAIYVLC-JTQLQIEISA-N 0 1 306.774 3.604 20 30 DHEDMN C=CCC(CC=C)C(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000548520042 341265383 /nfs/dbraw/zinc/26/53/83/341265383.db2.gz NJKPAFQWVINWPP-UHFFFAOYSA-N 0 1 304.478 3.549 20 30 DHEDMN C=CCC(CC=C)C(=O)NCCN1CC=C(C(C)(C)C)CC1 ZINC000548520042 341265384 /nfs/dbraw/zinc/26/53/84/341265384.db2.gz NJKPAFQWVINWPP-UHFFFAOYSA-N 0 1 304.478 3.549 20 30 DHEDMN CC[C@@H](CC#N)N[C@@H](C)Cc1ccc(Br)cc1F ZINC000136960513 341269609 /nfs/dbraw/zinc/26/96/09/341269609.db2.gz GAMVWKXYMVIEAR-GWCFXTLKSA-N 0 1 313.214 3.801 20 30 DHEDMN CC[C@@H](C)N(C)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000247092467 341361015 /nfs/dbraw/zinc/36/10/15/341361015.db2.gz JGBVQINBYGYAIB-ZIAGYGMSSA-N 0 1 319.474 3.607 20 30 DHEDMN C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccccc1[N+](=O)[O-] ZINC000554984639 341471554 /nfs/dbraw/zinc/47/15/54/341471554.db2.gz CBYXEQNSIROBLD-PXAZEXFGSA-N 0 1 307.353 3.805 20 30 DHEDMN C[C@H](NCc1ccc(C#N)s1)c1cnn(C2CCCC2)c1 ZINC000566083027 341547308 /nfs/dbraw/zinc/54/73/08/341547308.db2.gz LXFPFIDJFBSSMC-LBPRGKRZSA-N 0 1 300.431 3.782 20 30 DHEDMN N#Cc1ccc(CN[C@H](c2ccc(F)c(Cl)c2)C2CC2)nc1 ZINC000566424606 341557410 /nfs/dbraw/zinc/55/74/10/341557410.db2.gz ZKGUMAHFWGVBOA-KRWDZBQOSA-N 0 1 315.779 3.987 20 30 DHEDMN COc1ccc(CNCc2ccc(C#N)s2)cc1OC(F)F ZINC000176945263 341905883 /nfs/dbraw/zinc/90/58/83/341905883.db2.gz SNKBFWDSMOLCAY-UHFFFAOYSA-N 0 1 324.352 3.520 20 30 DHEDMN CC(C)COc1ccccc1CNCc1cc(C#N)cs1 ZINC000177689104 341923931 /nfs/dbraw/zinc/92/39/31/341923931.db2.gz HIHYSYQMBBEWDW-UHFFFAOYSA-N 0 1 300.427 3.944 20 30 DHEDMN CC(C)[C@@H](NCc1ccccc1C#N)c1ccc2c(c1)OCCO2 ZINC000161480537 519799090 /nfs/dbraw/zinc/79/90/90/519799090.db2.gz PTCQNRWQLCXIGE-HXUWFJFHSA-N 0 1 322.408 3.816 20 30 DHEDMN CCN(Cc1cc(C#N)ccc1OC)[C@H]1CCCc2cccnc21 ZINC000365003913 521286140 /nfs/dbraw/zinc/28/61/40/521286140.db2.gz RUXAXWSJBZHZTJ-SFHVURJKSA-N 0 1 321.424 3.861 20 30 DHEDMN Cc1ccc(CNCc2cc(C#N)n(C)c2)c(OC(C)(C)C)c1 ZINC000191300798 524583528 /nfs/dbraw/zinc/58/35/28/524583528.db2.gz FZSVLYWGMCKZEG-UHFFFAOYSA-N 0 1 311.429 3.672 20 30 DHEDMN Cc1cc(Br)cc(C)c1CNCc1ccc(C#N)o1 ZINC000266223278 526154289 /nfs/dbraw/zinc/15/42/89/526154289.db2.gz RSWMRYXXZDBGQL-UHFFFAOYSA-N 0 1 319.202 3.820 20 30 DHEDMN Cn1cc(CN[C@H]2CCCOc3cc(Cl)ccc32)cc1C#N ZINC000191561205 527223325 /nfs/dbraw/zinc/22/33/25/527223325.db2.gz ZHOBXMMZHRHTSH-INIZCTEOSA-N 0 1 315.804 3.554 20 30 DHEDMN Cc1nn(C(C)(C)C)cc1[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC000157778757 527588717 /nfs/dbraw/zinc/58/87/17/527588717.db2.gz XYXGHDSNHWDHJX-LBPRGKRZSA-N 0 1 314.408 3.808 20 30 DHEDMN N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000739140409 600101362 /nfs/dbraw/zinc/10/13/62/600101362.db2.gz SXZUPHWVZPBZKN-GOSISDBHSA-N 0 1 320.392 3.522 20 30 DHEDMN N#Cc1ccc([C@@H](C(=O)[O-])[N@H+]2CCC[C@]3(CC=CCC3)C2)cc1 ZINC000739105422 600571441 /nfs/dbraw/zinc/57/14/41/600571441.db2.gz MFDQNTVXWMYXLE-PKOBYXMFSA-N 0 1 310.397 3.506 20 30 DHEDMN N#Cc1cccc([C@@H](C(=O)[O-])[N@@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000833074163 601309832 /nfs/dbraw/zinc/30/98/32/601309832.db2.gz QGMCPOHUBUZISK-ZBFHGGJFSA-N 0 1 312.394 3.583 20 30 DHEDMN N#Cc1cccc([C@@H](C(=O)[O-])[N@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000833074163 601309833 /nfs/dbraw/zinc/30/98/33/601309833.db2.gz QGMCPOHUBUZISK-ZBFHGGJFSA-N 0 1 312.394 3.583 20 30 DHEDMN CC(C)[N@@H+](Cc1ccsc1C(=O)[O-])Cc1ccc(C#N)cc1 ZINC000826952001 601810327 /nfs/dbraw/zinc/81/03/27/601810327.db2.gz YZJAMGICJILXJL-UHFFFAOYSA-N 0 1 314.410 3.729 20 30 DHEDMN CC[C@@H](C)[C@H](C)[N@@H+](Cc1cccc(C(=O)[O-])c1C#N)C1CC1 ZINC000833637327 604607520 /nfs/dbraw/zinc/60/75/20/604607520.db2.gz COBGNQKYWUOPKG-OLZOCXBDSA-N 0 1 300.402 3.655 20 30 DHEDMN C[N@H+](Cc1cc2ccccc2o1)Cc1cccc(C(=O)[O-])c1C#N ZINC000833694063 604610387 /nfs/dbraw/zinc/61/03/87/604610387.db2.gz HZZPCTITABHAJF-UHFFFAOYSA-N 0 1 320.348 3.635 20 30 DHEDMN C[N@@H+](Cc1cc2ccccc2o1)Cc1cccc(C(=O)[O-])c1C#N ZINC000833694063 604610393 /nfs/dbraw/zinc/61/03/93/604610393.db2.gz HZZPCTITABHAJF-UHFFFAOYSA-N 0 1 320.348 3.635 20 30 DHEDMN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC2(CCCC2)CC1 ZINC000336869020 1013048943 /nfs/dbraw/zinc/04/89/43/1013048943.db2.gz XYKBPEANWPEUJP-OAHLLOKOSA-N 0 1 311.429 3.541 20 30 DHEDMN C=CC(C)(C)CC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000877932635 1033521058 /nfs/dbraw/zinc/52/10/58/1033521058.db2.gz ITLJYQULTCHNAK-OAHLLOKOSA-N 0 1 304.434 3.525 20 30 DHEDMN C#CCCCCNC(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000154886772 1013070954 /nfs/dbraw/zinc/07/09/54/1013070954.db2.gz QCZLZNVERXLOLK-QGZVFWFLSA-N 0 1 324.428 3.521 20 30 DHEDMN N#Cc1cccc(C2(NCc3cccc4c3NCCC4)CC2)c1 ZINC000894360335 1013103246 /nfs/dbraw/zinc/10/32/46/1013103246.db2.gz XLTNJOXYPSNSPO-UHFFFAOYSA-N 0 1 303.409 3.695 20 30 DHEDMN CCCN(Cc1ccc(C#N)cc1)Cc1cccc(OC)c1OC ZINC000120720363 1013103781 /nfs/dbraw/zinc/10/37/81/1013103781.db2.gz HMIVDGFPLHWGDD-UHFFFAOYSA-N 0 1 324.424 3.988 20 30 DHEDMN C#CC[N@H+](Cc1cccc(C(=O)[O-])c1)[C@H]1CCc2ccccc21 ZINC001588432185 958276207 /nfs/dbraw/zinc/27/62/07/958276207.db2.gz CLDRBPTUUHPPML-IBGZPJMESA-N 0 1 305.377 3.508 20 30 DHEDMN C=CCN(Cc1ccccc1)c1nc(C)cc(N2CCCC2)n1 ZINC001167122525 1013223691 /nfs/dbraw/zinc/22/36/91/1013223691.db2.gz HBUPSKMVOCODGZ-UHFFFAOYSA-N 0 1 308.429 3.578 20 30 DHEDMN CN(C)c1ccnc(N(CCC#N)Cc2ccc(Cl)cc2)c1 ZINC001167135652 1013269062 /nfs/dbraw/zinc/26/90/62/1013269062.db2.gz XTQFOZLLCDQBHT-UHFFFAOYSA-N 0 1 314.820 3.721 20 30 DHEDMN C=CCCCN(CC)C(=O)c1cccc2[nH]c(C(F)F)nc21 ZINC000890810014 1013508507 /nfs/dbraw/zinc/50/85/07/1013508507.db2.gz JSJNBVTWSDJROO-UHFFFAOYSA-N 0 1 307.344 3.929 20 30 DHEDMN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)CC#Cc1ccc(F)cc1 ZINC000441035362 1013656942 /nfs/dbraw/zinc/65/69/42/1013656942.db2.gz CWIZDYJEBZMDTC-QRWLVFNGSA-N 0 1 309.384 3.501 20 30 DHEDMN C=CCCCCCN(C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000150880527 1013754478 /nfs/dbraw/zinc/75/44/78/1013754478.db2.gz REJSAPDGQZQYOQ-UHFFFAOYSA-N 0 1 319.405 3.520 20 30 DHEDMN O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1n[nH]nc1-c1ccccc1 ZINC000328663263 1013789845 /nfs/dbraw/zinc/78/98/45/1013789845.db2.gz BDQOOZHUBAPXQW-LSDHHAIUSA-N 0 1 310.401 3.745 20 30 DHEDMN Cc1cc([C@@H]2CCCN(C(=O)NC3[C@H](C)CCC[C@H]3C)C2)n[nH]1 ZINC000328705556 1013793571 /nfs/dbraw/zinc/79/35/71/1013793571.db2.gz PHZUOWUVKRMAAZ-UMVBOHGHSA-N 0 1 318.465 3.636 20 30 DHEDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1coc(C2CCCC2)n1 ZINC000328714427 1013794595 /nfs/dbraw/zinc/79/45/95/1013794595.db2.gz DBWZBZYCPZPGLN-UHFFFAOYSA-N 0 1 310.304 3.938 20 30 DHEDMN CC(C)CC(CC(C)C)NC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000331103181 1013857056 /nfs/dbraw/zinc/85/70/56/1013857056.db2.gz DGKHAGVWDQOYIA-HNNXBMFYSA-N 0 1 306.454 3.752 20 30 DHEDMN CCc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000610346273 1013955386 /nfs/dbraw/zinc/95/53/86/1013955386.db2.gz RIWKKOPFCKNINT-GJZGRUSLSA-N 0 1 321.424 3.798 20 30 DHEDMN CC(C)COc1cccc(CNCc2cc(C#N)cs2)c1 ZINC000177690031 1013980249 /nfs/dbraw/zinc/98/02/49/1013980249.db2.gz CMUZCMQUTSUQAB-UHFFFAOYSA-N 0 1 300.427 3.944 20 30 DHEDMN C=C(C)COCCN[C@H](C)c1ccc(F)cc1Br ZINC000222309071 1014078001 /nfs/dbraw/zinc/07/80/01/1014078001.db2.gz XUEKQFHFITWCNP-LLVKDONJSA-N 0 1 316.214 3.832 20 30 DHEDMN Cc1ccc(C=Cc2n[nH]c(SCC(C)(C)CC#N)n2)o1 ZINC000568269159 1014121560 /nfs/dbraw/zinc/12/15/60/1014121560.db2.gz AHAPSHHBAKRBOV-VOTSOKGWSA-N 0 1 302.403 3.909 20 30 DHEDMN C=CCC[C@H](NC(=O)[C@H]1CCCc2[nH]ncc21)c1ccccc1 ZINC000133957156 1014318280 /nfs/dbraw/zinc/31/82/80/1014318280.db2.gz MLUXTRXDMOTNIH-RDJZCZTQSA-N 0 1 309.413 3.653 20 30 DHEDMN CCc1nc2c(s1)[C@@H](NCc1ccc(C#N)cc1F)CCC2 ZINC000177858720 1014464046 /nfs/dbraw/zinc/46/40/46/1014464046.db2.gz HGVAZYIPTXZNPJ-AWEZNQCLSA-N 0 1 315.417 3.883 20 30 DHEDMN N#CC(C(=O)CCC1CCCCC1)C(=O)NC1CCCCC1 ZINC000050678841 1014521391 /nfs/dbraw/zinc/52/13/91/1014521391.db2.gz ZPTQSOKTKDIQPO-INIZCTEOSA-N 0 1 304.434 3.505 20 30 DHEDMN CC(C)(C#N)c1ccc(CNCc2cnc(Cl)s2)cc1 ZINC000895150766 1014627278 /nfs/dbraw/zinc/62/72/78/1014627278.db2.gz DIIILAFLEPWFGD-UHFFFAOYSA-N 0 1 305.834 3.887 20 30 DHEDMN Cc1csc(C[C@H]2CCN(Cc3cccc(C#N)c3F)C2)n1 ZINC000933124710 1014656675 /nfs/dbraw/zinc/65/66/75/1014656675.db2.gz BOZBIVSMUKJGFZ-CYBMUJFWSA-N 0 1 315.417 3.527 20 30 DHEDMN C=CC[N@H+](CCc1ccccc1)Cc1cc(C(=O)[O-])c(CC)o1 ZINC000902178265 980770477 /nfs/dbraw/zinc/77/04/77/980770477.db2.gz NYUJFMAZUVJNLW-UHFFFAOYSA-N 0 1 313.397 3.771 20 30 DHEDMN CC[C@@H](c1ccccc1)[N@@H+](CCCC(C)(C)C#N)CC(=O)[O-] ZINC001595363116 980778171 /nfs/dbraw/zinc/77/81/71/980778171.db2.gz BCTALQQZBKMVCW-INIZCTEOSA-N 0 1 302.418 3.854 20 30 DHEDMN C=CC[N@H+](Cc1ccc(/C=C\C(=O)[O-])o1)CC1CCCCC1 ZINC000902252149 980798575 /nfs/dbraw/zinc/79/85/75/980798575.db2.gz CBKKSIGUMBBXMJ-KHPPLWFESA-N 0 1 303.402 3.946 20 30 DHEDMN COc1ccc(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)c(C)c1 ZINC000442731945 1014722817 /nfs/dbraw/zinc/72/28/17/1014722817.db2.gz TYIBHYYEEKOSDC-HNNXBMFYSA-N 0 1 319.364 3.678 20 30 DHEDMN COc1cc(CN2CCC[C@@H](C(F)(F)F)[C@@H]2C)ccc1C#N ZINC000442832970 1014745430 /nfs/dbraw/zinc/74/54/30/1014745430.db2.gz GRDCRGXLWSZONN-SMDDNHRTSA-N 0 1 312.335 3.730 20 30 DHEDMN CC[C@H](C)[C@@H]1CCCC[N@H+]1Cc1cccc(C(=O)[O-])c1C#N ZINC001594930754 982555442 /nfs/dbraw/zinc/55/54/42/982555442.db2.gz AWIBIFPVOGXFLF-GUYCJALGSA-N 0 1 300.402 3.657 20 30 DHEDMN C#C[C@@H]1CCCN(Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000895206240 1014942358 /nfs/dbraw/zinc/94/23/58/1014942358.db2.gz WQLODAMJTJPZLN-CYBMUJFWSA-N 0 1 320.458 3.940 20 30 DHEDMN Cc1nn(-c2ccccc2C)c(C)c1CN1CCC[C@H](CC#N)C1 ZINC000895228214 1014951370 /nfs/dbraw/zinc/95/13/70/1014951370.db2.gz KKKGQZCPNUMLPA-GOSISDBHSA-N 0 1 322.456 3.923 20 30 DHEDMN CCC[C@H](C)[C@@H]1CCCN1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000157239972 1015009226 /nfs/dbraw/zinc/00/92/26/1015009226.db2.gz KAYYNEQXYPCQQL-LRDDRELGSA-N 0 1 317.433 3.607 20 30 DHEDMN CSc1ccc(C(=O)/C=C/c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000157249072 1015012463 /nfs/dbraw/zinc/01/24/63/1015012463.db2.gz JYLAIDVEEROAEK-RUDMXATFSA-N 0 1 315.350 3.918 20 30 DHEDMN C=CC[N@@H+](Cc1cc(C(=O)[O-])cs1)Cc1ccccc1F ZINC001588829113 984311552 /nfs/dbraw/zinc/31/15/52/984311552.db2.gz CDLKHNZIMKDLQM-UHFFFAOYSA-N 0 1 305.374 3.774 20 30 DHEDMN C=CC[N@H+](Cc1cc(C(=O)[O-])cs1)Cc1ccccc1F ZINC001588829113 984311557 /nfs/dbraw/zinc/31/15/57/984311557.db2.gz CDLKHNZIMKDLQM-UHFFFAOYSA-N 0 1 305.374 3.774 20 30 DHEDMN C=C1CC[NH+]([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC000581612822 1015050146 /nfs/dbraw/zinc/05/01/46/1015050146.db2.gz FOLDRWUFBKWRQN-ZDUSSCGKSA-N 0 1 300.185 3.771 20 30 DHEDMN CC(=[NH+]Nc1ccc(C)c(C(=O)[O-])c1)c1ccc(N)cc1Cl ZINC001589016533 984995396 /nfs/dbraw/zinc/99/53/96/984995396.db2.gz XAEYOVRHWKXVTO-UHFFFAOYSA-N 0 1 317.776 3.765 20 30 DHEDMN C=C[C@@H](CC(=O)Nc1cccc(-c2cn[nH]n2)c1)c1ccccc1 ZINC000443671010 1015096152 /nfs/dbraw/zinc/09/61/52/1015096152.db2.gz BRJGJLQYPYRWRW-AWEZNQCLSA-N 0 1 318.380 3.770 20 30 DHEDMN C=CCOc1ccc(CNCc2ccnc(OC(F)F)c2)cc1 ZINC000341263988 1015104854 /nfs/dbraw/zinc/10/48/54/1015104854.db2.gz JCIVECXAPGWJSA-UHFFFAOYSA-N 0 1 320.339 3.538 20 30 DHEDMN C=CCOc1cccc(CNCc2ccnc(OC(F)F)c2)c1 ZINC000341269243 1015114292 /nfs/dbraw/zinc/11/42/92/1015114292.db2.gz NJXQSCUPMUKNEJ-UHFFFAOYSA-N 0 1 320.339 3.538 20 30 DHEDMN C=CCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000276446192 1015174483 /nfs/dbraw/zinc/17/44/83/1015174483.db2.gz PBKTXFKTADHDHZ-LLVKDONJSA-N 0 1 300.324 3.540 20 30 DHEDMN C=CCCN(C)[C@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000276446192 1015174489 /nfs/dbraw/zinc/17/44/89/1015174489.db2.gz PBKTXFKTADHDHZ-LLVKDONJSA-N 0 1 300.324 3.540 20 30 DHEDMN COc1ccc(C#N)cc1C[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000151665443 1015185854 /nfs/dbraw/zinc/18/58/54/1015185854.db2.gz ILZKHWBLFYYBMC-UHFFFAOYSA-N 0 1 322.408 3.685 20 30 DHEDMN COc1ccc(C#N)cc1CN(Cc1cccc(O)c1)CC1CC1 ZINC000151665443 1015185861 /nfs/dbraw/zinc/18/58/61/1015185861.db2.gz ILZKHWBLFYYBMC-UHFFFAOYSA-N 0 1 322.408 3.685 20 30 DHEDMN C=C(C)COc1cc(CNCc2ncccc2C)ccc1OC ZINC000106481032 1015192277 /nfs/dbraw/zinc/19/22/77/1015192277.db2.gz JLUMQRAZFXIGSW-UHFFFAOYSA-N 0 1 312.413 3.643 20 30 DHEDMN N#C[C@@H](NC(=O)C(F)(F)c1cccc(Cl)c1Cl)C1CC1 ZINC000843570693 1015301831 /nfs/dbraw/zinc/30/18/31/1015301831.db2.gz KLVNNPDPMLHMHH-SNVBAGLBSA-N 0 1 319.138 3.504 20 30 DHEDMN CC(C)(C)[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC001589731975 987951852 /nfs/dbraw/zinc/95/18/52/987951852.db2.gz CDWOOZUTGFAXAU-SJORKVTESA-N 0 1 314.429 3.832 20 30 DHEDMN N#Cc1cc(CN2CCC(OCc3ccccc3)CC2)cs1 ZINC000891536464 1015364482 /nfs/dbraw/zinc/36/44/82/1015364482.db2.gz 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CC[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1c(C)noc1C ZINC000182079927 1021470195 /nfs/dbraw/zinc/47/01/95/1021470195.db2.gz NQKCQUQOTXDRMK-YVEFUNNKSA-N 0 1 313.401 3.996 20 30 DHEDMN Cc1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1C(F)(F)F ZINC000189979813 1021476576 /nfs/dbraw/zinc/47/65/76/1021476576.db2.gz COJZBEDTGADCDS-UHFFFAOYSA-N 0 1 320.270 3.843 20 30 DHEDMN C=C[C@H](CO)NCc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000850409865 1021517068 /nfs/dbraw/zinc/51/70/68/1021517068.db2.gz AZOJEDIQQHKVCW-CYBMUJFWSA-N 0 1 311.303 3.602 20 30 DHEDMN CO[C@H](C(=O)C(C#N)c1nc2ccccc2s1)C1CCCC1 ZINC000850738802 1021632554 /nfs/dbraw/zinc/63/25/54/1021632554.db2.gz FRJSEAWZXDUEQH-WBMJQRKESA-N 0 1 314.410 3.678 20 30 DHEDMN N#CC(C(=O)Nc1cccc2ccccc21)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000850759921 1021641744 /nfs/dbraw/zinc/64/17/44/1021641744.db2.gz OYTVGNNRJBMWDT-WBTNSWJXSA-N 0 1 318.376 3.533 20 30 DHEDMN Cc1cccc(NC(=O)C(C#N)C(=O)C2CCC(C3CC3)CC2)c1 ZINC000850758102 1021642345 /nfs/dbraw/zinc/64/23/45/1021642345.db2.gz YJRASZVZEXPLIE-LEOMRAHMSA-N 0 1 324.424 3.859 20 30 DHEDMN N#Cc1ccc(C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)s1 ZINC000290289174 1021695424 /nfs/dbraw/zinc/69/54/24/1021695424.db2.gz AEQUJZLZKLOXRI-CQSZACIVSA-N 0 1 322.437 3.634 20 30 DHEDMN N#C[C@H](C(=O)c1cc2cccc(F)c2o1)c1nc2ccccc2[nH]1 ZINC000122415577 1021706373 /nfs/dbraw/zinc/70/63/73/1021706373.db2.gz MYMSAMIKOWPZMD-LLVKDONJSA-N 0 1 319.295 3.938 20 30 DHEDMN N#CC(C(=O)c1cc2cccc(F)c2o1)c1nc2ccccc2[nH]1 ZINC000122415577 1021706393 /nfs/dbraw/zinc/70/63/93/1021706393.db2.gz MYMSAMIKOWPZMD-LLVKDONJSA-N 0 1 319.295 3.938 20 30 DHEDMN N#CC(C(=O)[C@H]1CCCC2(CC2)C1)=C(O)C1(c2ccccc2)CC1 ZINC000851107520 1021740299 /nfs/dbraw/zinc/74/02/99/1021740299.db2.gz LXZPNURHBXZLBB-DOTOQJQBSA-N 0 1 321.420 3.967 20 30 DHEDMN N#Cc1cc(CN2CCC(c3cccc(Cl)c3)CC2)ccn1 ZINC000619515801 1021783820 /nfs/dbraw/zinc/78/38/20/1021783820.db2.gz GBUBLVGYQWYJTM-UHFFFAOYSA-N 0 1 311.816 3.986 20 30 DHEDMN CCC(C)(C)CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000745948403 1021803887 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C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1c(C)cccc1C(C)C ZINC000852097933 1022071812 /nfs/dbraw/zinc/07/18/12/1022071812.db2.gz AIOPIWKWZPXDPD-DNVCBOLYSA-N 0 1 300.446 3.837 20 30 DHEDMN C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1c(C)cccc1C(C)C ZINC000852097935 1022073318 /nfs/dbraw/zinc/07/33/18/1022073318.db2.gz AIOPIWKWZPXDPD-KXBFYZLASA-N 0 1 300.446 3.837 20 30 DHEDMN C=CCCN(Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000132460855 1033024103 /nfs/dbraw/zinc/02/41/03/1033024103.db2.gz YUFUDTMXGAKFGD-UHFFFAOYSA-N 0 1 324.424 3.750 20 30 DHEDMN Cc1cc(C)c2c(c1)C(=NNc1nc3ccccc3[nH]1)CCO2 ZINC000920361938 1022108589 /nfs/dbraw/zinc/10/85/89/1022108589.db2.gz DIYJPGJJKWWLEF-UHFFFAOYSA-N 0 1 306.369 3.778 20 30 DHEDMN C=CC[C@@H]1CCCN(Cc2cc3c(C)nn(C)c3nc2Cl)C1 ZINC000852411989 1022117545 /nfs/dbraw/zinc/11/75/45/1022117545.db2.gz XOZBJCZFKUFNFU-CYBMUJFWSA-N 0 1 318.852 3.718 20 30 DHEDMN C[C@H]1[C@H](C)N(C(=O)OC(C)(C)C)CCN1CCCC(C)(C)C#N ZINC000776604950 1022143316 /nfs/dbraw/zinc/14/33/16/1022143316.db2.gz YMVQIUNQOPZSBO-GJZGRUSLSA-N 0 1 323.481 3.646 20 30 DHEDMN CCSc1cc(C(O)=C(C#N)c2nc3ccccc3[nH]2)ccn1 ZINC000183452001 1022147413 /nfs/dbraw/zinc/14/74/13/1022147413.db2.gz LHBJNFZTEJOAPI-LBPRGKRZSA-N 0 1 322.393 3.560 20 30 DHEDMN COc1ccc(C#N)cc1CN[C@H](C)c1ccc2c(c1)CCCO2 ZINC000852779241 1022174428 /nfs/dbraw/zinc/17/44/28/1022174428.db2.gz AQWZTJQMOKTIAY-CQSZACIVSA-N 0 1 322.408 3.743 20 30 DHEDMN Cc1cccc(NC(=O)C(C#N)C(=O)C[C@H]2CCCC[C@@H]2C)c1 ZINC000920789963 1022175427 /nfs/dbraw/zinc/17/54/27/1022175427.db2.gz JPPBAGUAKRUXNQ-ZMSDIMECSA-N 0 1 312.413 3.859 20 30 DHEDMN Cc1cccc(NC(=O)C(C#N)C(=O)C[C@@H]2CCCC[C@H]2C)c1 ZINC000920789961 1022175480 /nfs/dbraw/zinc/17/54/80/1022175480.db2.gz JPPBAGUAKRUXNQ-HLLBOEOZSA-N 0 1 312.413 3.859 20 30 DHEDMN C=CCc1cc(OCC)cc(CN2C[C@@H](C)OC(C)(C)C2)c1O ZINC000920863792 1022181223 /nfs/dbraw/zinc/18/12/23/1022181223.db2.gz CKJROUZPBNFBPK-CQSZACIVSA-N 0 1 319.445 3.519 20 30 DHEDMN C#Cc1cccc(NC(=O)[C@@H](c2ccccc2)N(CC)CC)c1 ZINC000111035974 1022201503 /nfs/dbraw/zinc/20/15/03/1022201503.db2.gz IIAKGGWRQPRTNG-LJQANCHMSA-N 0 1 306.409 3.690 20 30 DHEDMN N#CCOc1cccc(CN=Nc2cccc(Cl)c2F)c1 ZINC000921138002 1022217321 /nfs/dbraw/zinc/21/73/21/1022217321.db2.gz YQPZEXZHKJHNHH-UHFFFAOYSA-N 0 1 303.724 3.827 20 30 DHEDMN COc1cccc(CN=Nc2cccc(Cl)c2F)c1OC ZINC000921137984 1022217620 /nfs/dbraw/zinc/21/76/20/1022217620.db2.gz XSUFKSMNZFCNGF-UHFFFAOYSA-N 0 1 308.740 3.942 20 30 DHEDMN Cc1nc(CN=Nc2cccc(Cl)c2F)c2ccccn12 ZINC000921137946 1022217876 /nfs/dbraw/zinc/21/78/76/1022217876.db2.gz VHGXXPIRNNJACG-UHFFFAOYSA-N 0 1 302.740 3.881 20 30 DHEDMN Cn1ncc(C2CCC2)c1C=NNc1nc2ccccc2s1 ZINC000853256587 1022245629 /nfs/dbraw/zinc/24/56/29/1022245629.db2.gz UVXQUBAYNQOIDQ-UHFFFAOYSA-N 0 1 311.414 3.743 20 30 DHEDMN Cc1cc2ccccc2nc1N=NCc1c(C2CC2)cnn1C ZINC000853329996 1022258361 /nfs/dbraw/zinc/25/83/61/1022258361.db2.gz SIDGMJYOILPHJA-UHFFFAOYSA-N 0 1 305.385 3.600 20 30 DHEDMN COc1ccc(C(=O)/C=C/c2cc(F)c(O)c(F)c2)cc1F ZINC000175322108 1022340506 /nfs/dbraw/zinc/34/05/06/1022340506.db2.gz WMOUJAOIYNNVQW-DUXPYHPUSA-N 0 1 308.255 3.714 20 30 DHEDMN CN(C)Cc1cccc(N[C@@](C)(C#N)c2ccccc2Cl)n1 ZINC001169380658 1022378993 /nfs/dbraw/zinc/37/89/93/1022378993.db2.gz FZBZXAZYIQLWQV-KRWDZBQOSA-N 0 1 314.820 3.647 20 30 DHEDMN N#CCc1cc(NCCCc2ccc(C(F)(F)F)cc2)ccn1 ZINC001169355571 1022382676 /nfs/dbraw/zinc/38/26/76/1022382676.db2.gz DMIBEUCOFHJGNR-UHFFFAOYSA-N 0 1 319.330 3.633 20 30 DHEDMN CCC(=O)Nc1cccc(CN[C@H](C)c2cccc(C#N)c2)c1 ZINC000538398322 1033054057 /nfs/dbraw/zinc/05/40/57/1033054057.db2.gz INSRCZLNOZLOKO-CQSZACIVSA-N 0 1 307.397 3.758 20 30 DHEDMN N#Cc1ccc(O)c(NC(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000179732259 1022521408 /nfs/dbraw/zinc/52/14/08/1022521408.db2.gz XGQWZMFPIVBFNN-UHFFFAOYSA-N 0 1 324.233 3.674 20 30 DHEDMN Cc1cc2ccccc2nc1NN=Cc1cc(O)ccc1[N+](=O)[O-] ZINC000776785060 1022566793 /nfs/dbraw/zinc/56/67/93/1022566793.db2.gz CFOJQZFJPLHLEI-UHFFFAOYSA-N 0 1 322.324 3.603 20 30 DHEDMN Cc1cccc(S(=O)(=O)Nc2ccc(CC#N)cc2)c1Cl ZINC000179968567 1022599974 /nfs/dbraw/zinc/59/99/74/1022599974.db2.gz YPFKMJSLNXSZFC-UHFFFAOYSA-N 0 1 320.801 3.515 20 30 DHEDMN C#CCOc1ccccc1CNCc1cc(F)cc(Cl)c1 ZINC000776801780 1022607192 /nfs/dbraw/zinc/60/71/92/1022607192.db2.gz ZJKKMDZHCQJSQW-UHFFFAOYSA-N 0 1 303.764 3.781 20 30 DHEDMN C=C(C)CN(CC)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000125963177 1033071026 /nfs/dbraw/zinc/07/10/26/1033071026.db2.gz UQZUXUBLGRPDGU-QGZVFWFLSA-N 0 1 313.445 3.528 20 30 DHEDMN CC(N=Nc1ccc([N+](=O)[O-])cc1)c1ccc(C(C)(C)O)cc1 ZINC000767351413 1022694319 /nfs/dbraw/zinc/69/43/19/1022694319.db2.gz ALLQUNRSPXICTL-UHFFFAOYSA-N 0 1 313.357 3.658 20 30 DHEDMN C[C@@]1(Cc2ccccc2F)CCC[N@H+]1Cc1cncc(C#N)c1 ZINC000930817883 1022697353 /nfs/dbraw/zinc/69/73/53/1022697353.db2.gz ZWWAQIVZNZCGAI-IBGZPJMESA-N 0 1 309.388 3.690 20 30 DHEDMN C=CCn1c(C)nn(CN(CC2CC2)C2CCCCC2)c1=S ZINC000068878832 1022778304 /nfs/dbraw/zinc/77/83/04/1022778304.db2.gz CYJGXWPYZQYLOS-UHFFFAOYSA-N 0 1 320.506 3.911 20 30 DHEDMN C[C@H](C#N)Oc1ccc(CNCc2ccc3c(n2)CCCC3)cc1 ZINC000767727071 1022788003 /nfs/dbraw/zinc/78/80/03/1022788003.db2.gz GXJUMFBQCJBUOC-OAHLLOKOSA-N 0 1 321.424 3.541 20 30 DHEDMN C[C@@H](C#N)Oc1ccc(CNCc2ccc3c(n2)CCCC3)cc1 ZINC000767727067 1022789503 /nfs/dbraw/zinc/78/95/03/1022789503.db2.gz GXJUMFBQCJBUOC-HNNXBMFYSA-N 0 1 321.424 3.541 20 30 DHEDMN COc1ccc(NN=Cc2ccc(SC)cc2)c([N+](=O)[O-])c1 ZINC000767800473 1022814066 /nfs/dbraw/zinc/81/40/66/1022814066.db2.gz AUTRRZLCRKSXAO-UHFFFAOYSA-N 0 1 317.370 3.771 20 30 DHEDMN COc1ccc(NN=Cc2ccc([C@H]3C[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000767801177 1022815534 /nfs/dbraw/zinc/81/55/34/1022815534.db2.gz HDYOYVPEVQVVBG-MFKMUULPSA-N 0 1 315.329 3.766 20 30 DHEDMN Cc1nn(C)c(C)c1CN=Nc1c(Cl)cc(F)cc1Cl ZINC000767911154 1022843621 /nfs/dbraw/zinc/84/36/21/1022843621.db2.gz NKROFYBKFYWKAT-UHFFFAOYSA-N 0 1 315.179 3.929 20 30 DHEDMN C=CCC[C@H](O)CN[C@@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000856778763 1022867627 /nfs/dbraw/zinc/86/76/27/1022867627.db2.gz PFNVKJFJSMTGQP-UWVGGRQHSA-N 0 1 322.758 3.732 20 30 DHEDMN C=C(C)[C@@H](NCCO[C@@H]1CC1(F)F)c1ccc(F)c(F)c1 ZINC000660311389 1022891866 /nfs/dbraw/zinc/89/18/66/1022891866.db2.gz GYTSVEGLUHFFAS-ZIAGYGMSSA-N 0 1 303.299 3.596 20 30 DHEDMN C=CCN(CC=C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768137125 1022905394 /nfs/dbraw/zinc/90/53/94/1022905394.db2.gz KTMYJURDSVQBKS-UHFFFAOYSA-N 0 1 315.417 3.759 20 30 DHEDMN C#CCCOc1ccc(CN(C)Cc2ccccc2OC)cc1 ZINC000768162806 1022908425 /nfs/dbraw/zinc/90/84/25/1022908425.db2.gz IZLAIMSGJZHMOC-UHFFFAOYSA-N 0 1 309.409 3.729 20 30 DHEDMN C#CCOc1ccc([C@@H](C)NCc2cc(OC)ccc2F)cc1 ZINC000857081421 1022946331 /nfs/dbraw/zinc/94/63/31/1022946331.db2.gz ORSQUNNUWAVGIN-CQSZACIVSA-N 0 1 313.372 3.697 20 30 DHEDMN CC(C)(C#N)c1ccccc1COc1ccccc1-c1nnc[nH]1 ZINC000165359071 1022980680 /nfs/dbraw/zinc/98/06/80/1022980680.db2.gz KQJDSKXJYSAYTH-UHFFFAOYSA-N 0 1 318.380 3.852 20 30 DHEDMN CC(=[NH+][N-]c1ncnc2sccc21)c1ccccc1N(C)C ZINC000769569191 1023180813 /nfs/dbraw/zinc/18/08/13/1023180813.db2.gz FJUALQZJQLJLFI-UHFFFAOYSA-N 0 1 311.414 3.593 20 30 DHEDMN CCn1nc(CN=Nc2cc(F)c(F)cc2F)c2ccccc21 ZINC000769789833 1023214351 /nfs/dbraw/zinc/21/43/51/1023214351.db2.gz HPHPOKCLCKLBRO-UHFFFAOYSA-N 0 1 318.302 3.920 20 30 DHEDMN CCC(=NNCc1ccc(C#N)cc1)c1ccc(N(C)C)cc1 ZINC000769813706 1023218632 /nfs/dbraw/zinc/21/86/32/1023218632.db2.gz HDQGWUVFLQFUPZ-UHFFFAOYSA-N 0 1 306.413 3.528 20 30 DHEDMN CO[C@H](C(=O)C(C#N)c1nc2cc(Cl)ccc2s1)C(C)C ZINC000770842972 1023355673 /nfs/dbraw/zinc/35/56/73/1023355673.db2.gz VOCFQWPYQXYGCF-YGRLFVJLSA-N 0 1 322.817 3.797 20 30 DHEDMN CC(C)CN1Cc2cccc(NC(=O)C#Cc3ccccc3)c2C1 ZINC000746505763 1023386272 /nfs/dbraw/zinc/38/62/72/1023386272.db2.gz DFQNFYCSXUFQPQ-UHFFFAOYSA-N 0 1 318.420 3.648 20 30 DHEDMN Cc1cccc2nc([C@@H](C#N)C(=O)CCCC(F)(F)F)[nH]c21 ZINC000771286949 1023414139 /nfs/dbraw/zinc/41/41/39/1023414139.db2.gz OLYCURSCPBNGRO-JTQLQIEISA-N 0 1 309.291 3.780 20 30 DHEDMN COc1cc2[nH]c(-c3ccc(O[C@@H](C)C#N)cc3)nc2cc1C ZINC000772177071 1023520829 /nfs/dbraw/zinc/52/08/29/1023520829.db2.gz KJPBZRLVKLKYIZ-LBPRGKRZSA-N 0 1 307.353 3.838 20 30 DHEDMN C=CC[C@H]1CCCN(CC(=O)Nc2ccccc2OC(F)F)C1 ZINC000661376956 1023579974 /nfs/dbraw/zinc/57/99/74/1023579974.db2.gz HOLPZWUJPSXCAO-ZDUSSCGKSA-N 0 1 324.371 3.515 20 30 DHEDMN N#Cc1ccc(C(=O)Nc2cccc(N3CCCCC3)c2)cc1O ZINC000785538491 1023588323 /nfs/dbraw/zinc/58/83/23/1023588323.db2.gz JTVRQPPBFGYJDB-UHFFFAOYSA-N 0 1 321.380 3.506 20 30 DHEDMN CC(C)(C#N)c1ccccc1COC(=O)c1cccc2[nH]ncc21 ZINC000785589366 1023591637 /nfs/dbraw/zinc/59/16/37/1023591637.db2.gz DEMQUTCUPOPDFM-UHFFFAOYSA-N 0 1 319.364 3.721 20 30 DHEDMN C#CC[C@H](OC(=O)c1[nH]c(-c2cccc(C)c2)nc1C)C(C)C ZINC000772674165 1023646710 /nfs/dbraw/zinc/64/67/10/1023646710.db2.gz ABHCOFDSEVMXLN-INIZCTEOSA-N 0 1 310.397 3.898 20 30 DHEDMN Cc1ccc([C@H](CNc2nc(C)cc(C)c2C#N)N2CCCC2)o1 ZINC000337741405 1033158235 /nfs/dbraw/zinc/15/82/35/1033158235.db2.gz USRKZVGMSRWGNR-KRWDZBQOSA-N 0 1 324.428 3.721 20 30 DHEDMN Clc1cccc(C#CCN2CCC([C@@H]3CCCCO3)CC2)c1 ZINC000661862556 1023783144 /nfs/dbraw/zinc/78/31/44/1023783144.db2.gz ANFKWVDTAUZEAT-IBGZPJMESA-N 0 1 317.860 3.973 20 30 DHEDMN Clc1ccccc1C#CCN1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000661874056 1023788912 /nfs/dbraw/zinc/78/89/12/1023788912.db2.gz HHNDGHXAOIXZJG-MJGOQNOKSA-N 0 1 317.860 3.973 20 30 DHEDMN CC[C@](C)(OC)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 ZINC000796651773 1023796836 /nfs/dbraw/zinc/79/68/36/1023796836.db2.gz SGKXRTMVFXYYIU-BMIGLBTASA-N 0 1 322.817 3.941 20 30 DHEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000662086448 1023895755 /nfs/dbraw/zinc/89/57/55/1023895755.db2.gz SJUIOAIBIDOILT-GASCZTMLSA-N 0 1 313.376 3.867 20 30 DHEDMN C=C[C@H](CO)NCc1cnc(-c2ccc(C(C)C)cc2)s1 ZINC000662165373 1023936580 /nfs/dbraw/zinc/93/65/80/1023936580.db2.gz FGZGBWRANZNINJ-OAHLLOKOSA-N 0 1 302.443 3.570 20 30 DHEDMN N#Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCc2ccc(Cl)nc21 ZINC000788793250 1023939707 /nfs/dbraw/zinc/93/97/07/1023939707.db2.gz BMJQUMBOFNOQKS-JKSUJKDBSA-N 0 1 309.800 3.871 20 30 DHEDMN CC(=NNc1cc(C(F)(F)F)ccc1F)c1cc(C)nn1C ZINC000789033305 1023977802 /nfs/dbraw/zinc/97/78/02/1023977802.db2.gz HEJSWCQAPBVPMQ-UHFFFAOYSA-N 0 1 314.286 3.723 20 30 DHEDMN COc1cc2c(cc1F)CC[C@H]2NCc1ccc(C#N)s1 ZINC000337789776 1033177026 /nfs/dbraw/zinc/17/70/26/1033177026.db2.gz APYVEUIUBRPBDS-OAHLLOKOSA-N 0 1 302.374 3.545 20 30 DHEDMN CC[C@H](CC(C)C)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC001172393557 1033175301 /nfs/dbraw/zinc/17/53/01/1033175301.db2.gz ZOZDAHDREJYLCA-LJQANCHMSA-N 0 1 313.489 3.959 20 30 DHEDMN C#CCn1ccc(CN(CC)CCCc2ccc(Cl)cc2)n1 ZINC000789326676 1024049543 /nfs/dbraw/zinc/04/95/43/1024049543.db2.gz ZDAMQKIYXXZZST-UHFFFAOYSA-N 0 1 315.848 3.624 20 30 DHEDMN C=CCC[C@H](O)CN1CCC[C@H]1c1nc2ccccc2n1CC ZINC000268464333 1024117256 /nfs/dbraw/zinc/11/72/56/1024117256.db2.gz LGIRGUXECVFQIN-YJBOKZPZSA-N 0 1 313.445 3.520 20 30 DHEDMN Cc1c(C(=O)/C=C/c2cc(F)c(O)c(F)c2)cccc1[N+](=O)[O-] ZINC000130089990 1024129328 /nfs/dbraw/zinc/12/93/28/1024129328.db2.gz NTWPJRPIYXNYQX-AATRIKPKSA-N 0 1 319.263 3.783 20 30 DHEDMN CC[C@H](c1ccccc1)N(CC(=O)OC)C[C@H](C)CCC#N ZINC000602482974 1024147351 /nfs/dbraw/zinc/14/73/51/1024147351.db2.gz HRGOTEJMNFFTDI-NVXWUHKLSA-N 0 1 302.418 3.553 20 30 DHEDMN N#Cc1ccc(CN2CC[C@@H](Oc3ccccc3Cl)C2)cc1 ZINC000128579320 1024217955 /nfs/dbraw/zinc/21/79/55/1024217955.db2.gz MFWIWPHICZTSLY-MRXNPFEDSA-N 0 1 312.800 3.865 20 30 DHEDMN C=CCN(CC1CCCCC1)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000269022366 1024224706 /nfs/dbraw/zinc/22/47/06/1024224706.db2.gz IQRYKZGFVMDCGJ-INIZCTEOSA-N 0 1 316.449 3.565 20 30 DHEDMN COCC(N=Nc1ncccc1C)c1cccc(C(F)(F)F)c1 ZINC000790185233 1024237825 /nfs/dbraw/zinc/23/78/25/1024237825.db2.gz DXWXNPBBJYVOIT-UHFFFAOYSA-N 0 1 323.318 3.871 20 30 DHEDMN C=C(C)COc1cc(CN=Nc2ncccc2C)ccc1OC ZINC000790190474 1024238443 /nfs/dbraw/zinc/23/84/43/1024238443.db2.gz KFFPKFVQXXGYCB-UHFFFAOYSA-N 0 1 311.385 3.800 20 30 DHEDMN Cc1nn(-c2ccc(F)cc2)c(C)c1CN=Nc1ncccc1C ZINC000790192985 1024238486 /nfs/dbraw/zinc/23/84/86/1024238486.db2.gz MOMLOXJCPPXWHW-UHFFFAOYSA-N 0 1 323.375 3.778 20 30 DHEDMN Cc1cccnc1NN=Cc1cccc(OCC(F)(F)F)c1 ZINC000790193004 1024241201 /nfs/dbraw/zinc/24/12/01/1024241201.db2.gz NRNDXXBXAFYDNL-UHFFFAOYSA-N 0 1 309.291 3.777 20 30 DHEDMN CCCOc1ccc2c(c1)C(N=Nc1ncccc1C)CCO2 ZINC000790193514 1024242502 /nfs/dbraw/zinc/24/25/02/1024242502.db2.gz GPYUASXZOABXLB-UHFFFAOYSA-N 0 1 311.385 3.778 20 30 DHEDMN C=CCC[C@H](NCc1cscn1)[C@H]1Cc2ccccc2O1 ZINC000883183189 1024271098 /nfs/dbraw/zinc/27/10/98/1024271098.db2.gz VGQZVFPMCFAHCX-DOTOQJQBSA-N 0 1 300.427 3.571 20 30 DHEDMN Cn1ccnc1NN=Cc1ccc(-c2ccc(F)cc2)s1 ZINC000790301144 1024276658 /nfs/dbraw/zinc/27/66/58/1024276658.db2.gz CUEQOIKKNOJRMT-UHFFFAOYSA-N 0 1 300.362 3.734 20 30 DHEDMN CC(C)(C)c1nc(C=NNc2cccc(F)c2[N+](=O)[O-])cs1 ZINC000790307400 1024280467 /nfs/dbraw/zinc/28/04/67/1024280467.db2.gz YBYFZRDFHCDERC-UHFFFAOYSA-N 0 1 322.365 3.934 20 30 DHEDMN CC(C)Cc1ncc(C=NNc2cccc(F)c2[N+](=O)[O-])s1 ZINC000790310258 1024281925 /nfs/dbraw/zinc/28/19/25/1024281925.db2.gz AOEGFAHYEQNTTL-UHFFFAOYSA-N 0 1 322.365 3.835 20 30 DHEDMN C=CCC[C@H](NCc1cc(COC(C)(C)C)on1)[C@H]1CCCO1 ZINC000883217097 1024294327 /nfs/dbraw/zinc/29/43/27/1024294327.db2.gz BOIPPWUYNDKXJB-DLBZAZTESA-N 0 1 322.449 3.593 20 30 DHEDMN C=CCC[C@H](COc1ccccc1)NC1(c2ncccn2)CCC1 ZINC000883310856 1024362231 /nfs/dbraw/zinc/36/22/31/1024362231.db2.gz DOEYFMAVSWPBND-QGZVFWFLSA-N 0 1 323.440 3.859 20 30 DHEDMN C[C@@H](NCc1cnc([C@H]2CCCO2)s1)c1ccc(C#N)cc1 ZINC000270183938 1024362555 /nfs/dbraw/zinc/36/25/55/1024362555.db2.gz GJQVDQZQMQARBR-MLGOLLRUSA-N 0 1 313.426 3.717 20 30 DHEDMN C=CCC[C@H](NCc1cc(C(=O)OC)c(C)n1C)c1ccco1 ZINC000883344537 1024392750 /nfs/dbraw/zinc/39/27/50/1024392750.db2.gz CPACBOORANFQTR-INIZCTEOSA-N 0 1 316.401 3.510 20 30 DHEDMN COc1ccc(CN[C@@H](C)c2cc(F)ccc2OC)cc1C#N ZINC000124972851 1024482389 /nfs/dbraw/zinc/48/23/89/1024482389.db2.gz BGIZSABTGKPOMK-LBPRGKRZSA-N 0 1 314.360 3.565 20 30 DHEDMN CC[C@@H](C#N)Oc1cccc(CNCc2c(C)cccc2OC)c1 ZINC000877046326 1033218395 /nfs/dbraw/zinc/21/83/95/1033218395.db2.gz LUVWJHRZHWGRJX-KRWDZBQOSA-N 0 1 324.424 3.974 20 30 DHEDMN C=C(Cl)COc1ccc([C@@H](C)NCc2c[nH]nc2C)cc1 ZINC000271571394 1024542581 /nfs/dbraw/zinc/54/25/81/1024542581.db2.gz ZFHRCQSDWYXPLR-GFCCVEGCSA-N 0 1 305.809 3.700 20 30 DHEDMN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)C[C@@H](C)CC ZINC000791771096 1024553865 /nfs/dbraw/zinc/55/38/65/1024553865.db2.gz JIIVMIRHUKLZBN-BBRMVZONSA-N 0 1 314.429 3.895 20 30 DHEDMN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)C[C@H](C)CC ZINC000791771097 1024554195 /nfs/dbraw/zinc/55/41/95/1024554195.db2.gz JIIVMIRHUKLZBN-CJNGLKHVSA-N 0 1 314.429 3.895 20 30 DHEDMN CC[C@@H](C(=O)Nc1ccc(CC#N)cc1)N(C)Cc1ccccc1 ZINC000339229235 1024580955 /nfs/dbraw/zinc/58/09/55/1024580955.db2.gz FNDZIKUUXWIFLA-IBGZPJMESA-N 0 1 321.424 3.602 20 30 DHEDMN Cc1cccc(N(CCC#N)C(=O)CN(C)CC(C)(C)C)c1C ZINC000339256433 1024582271 /nfs/dbraw/zinc/58/22/71/1024582271.db2.gz PASXLYPINFUVNG-UHFFFAOYSA-N 0 1 315.461 3.528 20 30 DHEDMN N#CC(C(=O)CSCC(F)(F)F)c1nccc2ccccc21 ZINC000792097575 1024631018 /nfs/dbraw/zinc/63/10/18/1024631018.db2.gz XIXGZPASGRBVCP-GFCCVEGCSA-N 0 1 324.327 3.707 20 30 DHEDMN CCc1ccc(C(=O)/C=C/c2cc(O)ccc2[N+](=O)[O-])s1 ZINC000772798284 1024680023 /nfs/dbraw/zinc/68/00/23/1024680023.db2.gz UJOBCVBUNQICCH-XVNBXDOJSA-N 0 1 303.339 3.820 20 30 DHEDMN O=C(/C=C\c1cc(O)ccc1[N+](=O)[O-])c1cc2c(s1)CCC2 ZINC000772801847 1024694890 /nfs/dbraw/zinc/69/48/90/1024694890.db2.gz OOUJYPDUQUQCNH-DAXSKMNVSA-N 0 1 315.350 3.747 20 30 DHEDMN C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(OC)ccc1O ZINC000179802147 1024696038 /nfs/dbraw/zinc/69/60/38/1024696038.db2.gz XNRFEQDNUUZHGN-UHFFFAOYSA-N 0 1 313.397 3.598 20 30 DHEDMN C[C@@H](CCCC#N)N1CCO[C@](C)(c2ccc(Cl)cc2)C1 ZINC001172500368 1033229642 /nfs/dbraw/zinc/22/96/42/1033229642.db2.gz MYXFKDXVPAWVMQ-YOEHRIQHSA-N 0 1 306.837 3.970 20 30 DHEDMN O=C(/C=C/c1cc(O)ccc1[N+](=O)[O-])c1ccccc1Cl ZINC000772804832 1024721650 /nfs/dbraw/zinc/72/16/50/1024721650.db2.gz YWHJLELPWUZJLQ-VMPITWQZSA-N 0 1 303.701 3.850 20 30 DHEDMN C[C@@H](c1ccc(F)cc1)N(C)Cc1cnc2ccc(C#N)cn12 ZINC000349745911 1024745898 /nfs/dbraw/zinc/74/58/98/1024745898.db2.gz DWISODNVEHUUBH-ZDUSSCGKSA-N 0 1 308.360 3.538 20 30 DHEDMN CCOC(=O)CN([C@H](C)CCCC#N)[C@H](C)c1ccccc1 ZINC001172508990 1033239145 /nfs/dbraw/zinc/23/91/45/1033239145.db2.gz ITRLNRNRXMYKGM-HZPDHXFCSA-N 0 1 302.418 3.695 20 30 DHEDMN Cc1cc(N=NCc2ccc(Cl)c3cccnc23)nc(C)n1 ZINC000760243892 1024800141 /nfs/dbraw/zinc/80/01/41/1024800141.db2.gz RKXYCYLIKJBUOR-UHFFFAOYSA-N 0 1 311.776 3.741 20 30 DHEDMN CCOC(=O)C1(C#N)CCN(CCCC2CCCCC2)CC1 ZINC001207609020 1024818392 /nfs/dbraw/zinc/81/83/92/1024818392.db2.gz JRJIRVLUMGAVQG-UHFFFAOYSA-N 0 1 306.450 3.516 20 30 DHEDMN Cc1cccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)c1C ZINC000127589951 1024899276 /nfs/dbraw/zinc/89/92/76/1024899276.db2.gz BHZARJQOIVTNNB-JKSUJKDBSA-N 0 1 321.424 3.853 20 30 DHEDMN CCC(=NNc1cccc(Cl)n1)c1cccc([N+](=O)[O-])c1 ZINC000793175187 1024925669 /nfs/dbraw/zinc/92/56/69/1024925669.db2.gz QSOHJCFJYRRYFA-UHFFFAOYSA-N 0 1 304.737 3.869 20 30 DHEDMN COc1cc(C=NNc2cccc(Cl)n2)cc(Cl)c1O ZINC000793181672 1024926812 /nfs/dbraw/zinc/92/68/12/1024926812.db2.gz XFNUSVOKFVLBJR-UHFFFAOYSA-N 0 1 312.156 3.549 20 30 DHEDMN CCOc1ccc(C=NNc2cccc(Cl)n2)cc1OC ZINC000793181019 1024927324 /nfs/dbraw/zinc/92/73/24/1024927324.db2.gz GDNAVAGEUZIBDT-UHFFFAOYSA-N 0 1 305.765 3.588 20 30 DHEDMN C=CCOc1ccc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1Cl ZINC000263387977 1024961511 /nfs/dbraw/zinc/96/15/11/1024961511.db2.gz YGWBEMMLKYFDBS-OCCSQVGLSA-N 0 1 323.820 3.590 20 30 DHEDMN C#CCCCCCCN[C@@H](c1nccn1C)c1ccc(F)cc1 ZINC000877145810 1033255535 /nfs/dbraw/zinc/25/55/35/1033255535.db2.gz ORHFDVVZZZRABM-GOSISDBHSA-N 0 1 313.420 3.822 20 30 DHEDMN CCc1ccc(CN2CCC(Oc3ccc(C#N)cc3)CC2)o1 ZINC000353417276 1025059173 /nfs/dbraw/zinc/05/91/73/1025059173.db2.gz RPHDTCAGHPXDHZ-UHFFFAOYSA-N 0 1 310.397 3.757 20 30 DHEDMN CC[N@@H+](Cc1cccc(C(=O)[O-])c1)[C@H](C)c1ccc(C#N)cc1 ZINC000263512203 1025066347 /nfs/dbraw/zinc/06/63/47/1025066347.db2.gz ZDXLMXZBLAGRRQ-CQSZACIVSA-N 0 1 308.381 3.840 20 30 DHEDMN COCCN(Cc1ccc(C)o1)Cc1c(C)cc(C#N)cc1C ZINC001167881098 1025122081 /nfs/dbraw/zinc/12/20/81/1025122081.db2.gz ILLGAZAJFIFHBC-UHFFFAOYSA-N 0 1 312.413 3.725 20 30 DHEDMN C=C[C@H](CO)N[C@@H](CC)c1ccc(Br)cc1Cl ZINC000353579920 1025137879 /nfs/dbraw/zinc/13/78/79/1025137879.db2.gz VZMOMGLUOLYVHR-MFKMUULPSA-N 0 1 318.642 3.690 20 30 DHEDMN COc1cc(CN[C@H](c2ccc(F)cn2)C(C)C)ccc1C#N ZINC000353604790 1025149595 /nfs/dbraw/zinc/14/95/95/1025149595.db2.gz AHFKPLXTABKUMR-SFHVURJKSA-N 0 1 313.376 3.588 20 30 DHEDMN CN(C)c1cccnc1CN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000353615149 1025153376 /nfs/dbraw/zinc/15/33/76/1025153376.db2.gz YGHQSUMKEGEOCK-GOSISDBHSA-N 0 1 320.440 3.577 20 30 DHEDMN N#Cc1ccc(CN=Nc2ccc(Cl)cc2[N+](=O)[O-])c(F)c1 ZINC000772839858 1025193506 /nfs/dbraw/zinc/19/35/06/1025193506.db2.gz HELRXENZWKJILZ-UHFFFAOYSA-N 0 1 318.695 3.705 20 30 DHEDMN Cc1nc2ccc(NC(=O)C[C@H](CC#N)c3ccccc3)cc2[nH]1 ZINC000353876417 1025276106 /nfs/dbraw/zinc/27/61/06/1025276106.db2.gz LANCZSXGOUQLIZ-HNNXBMFYSA-N 0 1 318.380 3.897 20 30 DHEDMN CCN(Cc1cc(C(=O)OC)co1)[C@@H](C)c1ccc(C#N)cc1 ZINC000171032854 1025286226 /nfs/dbraw/zinc/28/62/26/1025286226.db2.gz NCQBAMHYAPHPPP-ZDUSSCGKSA-N 0 1 312.369 3.521 20 30 DHEDMN CC[C@@H](C#N)Oc1cc(CNCc2cc(C)co2)ccc1OC ZINC000885981247 1025427304 /nfs/dbraw/zinc/42/73/04/1025427304.db2.gz AUTURDLTVZWOGV-HNNXBMFYSA-N 0 1 314.385 3.567 20 30 DHEDMN C[C@H](NC[C@H](O)CC1(C#N)CCC1)c1c(F)cccc1Cl ZINC000886112348 1025510078 /nfs/dbraw/zinc/51/00/78/1025510078.db2.gz VSCXHVPEKADHJO-NWDGAFQWSA-N 0 1 310.800 3.575 20 30 DHEDMN N#CC1(C[C@H](O)CN2CC3(CCCC3)[C@H]2c2ccco2)CCC1 ZINC000886277667 1025579462 /nfs/dbraw/zinc/57/94/62/1025579462.db2.gz YPOLZVORGHJFQP-DOTOQJQBSA-N 0 1 314.429 3.642 20 30 DHEDMN C#CC[C@@H]1CCN([C@@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000886361444 1025604130 /nfs/dbraw/zinc/60/41/30/1025604130.db2.gz IIIHGWADZOZVRN-QWHCGFSZSA-N 0 1 303.356 3.838 20 30 DHEDMN C#CCC1(NCc2csc(-c3cccs3)n2)CCOCC1 ZINC000886381486 1025611566 /nfs/dbraw/zinc/61/15/66/1025611566.db2.gz FBAMQXAOHVDURM-UHFFFAOYSA-N 0 1 318.467 3.534 20 30 DHEDMN C=C(Cl)CN1CCCC[C@H]1CCNC(=O)OC(C)(C)C ZINC000805764778 1025675795 /nfs/dbraw/zinc/67/57/95/1025675795.db2.gz JVJYTSVPOVQLNO-ZDUSSCGKSA-N 0 1 302.846 3.508 20 30 DHEDMN CN(Cc1ccc(C#N)cn1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000573741904 1025747403 /nfs/dbraw/zinc/74/74/03/1025747403.db2.gz VAMDBPFEFUVCFT-RBUKOAKNSA-N 0 1 321.424 3.631 20 30 DHEDMN C=CCCCN(C)[C@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000076801714 1025882445 /nfs/dbraw/zinc/88/24/45/1025882445.db2.gz PGVJJALABXQOEZ-GFCCVEGCSA-N 0 1 314.351 3.930 20 30 DHEDMN CN(Cc1ccc(C#N)cc1C(F)(F)F)C[C@H]1CCCCO1 ZINC000356089240 1025941329 /nfs/dbraw/zinc/94/13/29/1025941329.db2.gz PRWKCXAGXJDVPH-CQSZACIVSA-N 0 1 312.335 3.578 20 30 DHEDMN N#Cc1ccc(CNCc2ccc(Br)cc2F)cc1 ZINC000037505895 1025947961 /nfs/dbraw/zinc/94/79/61/1025947961.db2.gz FERZNFFVPXYMDC-UHFFFAOYSA-N 0 1 319.177 3.750 20 30 DHEDMN C[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)c1ccccn1 ZINC000356133105 1025960786 /nfs/dbraw/zinc/96/07/86/1025960786.db2.gz IQBOURZSAUNJIS-LLVKDONJSA-N 0 1 305.303 3.823 20 30 DHEDMN N#Cc1ccc(CN2CC[C@]3(C2)CCCOC3)c(C(F)(F)F)c1 ZINC000356293681 1026010153 /nfs/dbraw/zinc/01/01/53/1026010153.db2.gz FGUNUNKYEAGAJQ-INIZCTEOSA-N 0 1 324.346 3.580 20 30 DHEDMN C=CCN(CCc1ccco1)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000411489154 1026028803 /nfs/dbraw/zinc/02/88/03/1026028803.db2.gz PZUKBLYOFSPUMA-AWEZNQCLSA-N 0 1 300.358 3.980 20 30 DHEDMN COc1ccc(N=NC(C)c2cc(Cl)cc(C)c2O)nc1 ZINC000807983453 1026163465 /nfs/dbraw/zinc/16/34/65/1026163465.db2.gz MMTNPEDLRSIYDF-UHFFFAOYSA-N 0 1 305.765 3.594 20 30 DHEDMN C[C@@H]1C[C@@H](c2ccccc2)N(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000513270683 1026468938 /nfs/dbraw/zinc/46/89/38/1026468938.db2.gz GLLLZJWTJRFKKV-BEFAXECRSA-N 0 1 319.408 3.580 20 30 DHEDMN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000513401366 1026496236 /nfs/dbraw/zinc/49/62/36/1026496236.db2.gz LYTQAQMFJUJBHG-INIZCTEOSA-N 0 1 323.415 3.971 20 30 DHEDMN Cc1ccc(C[C@@H](C)C(=O)Nc2nc3ccc(C#N)cc3[nH]2)cc1 ZINC001131674851 1026519434 /nfs/dbraw/zinc/51/94/34/1026519434.db2.gz ZBUOHXBQVFKANG-CYBMUJFWSA-N 0 1 318.380 3.560 20 30 DHEDMN N#Cc1ccc2nc(NC(=O)c3cccc(C(F)F)c3)[nH]c2c1 ZINC001131674010 1026519541 /nfs/dbraw/zinc/51/95/41/1026519541.db2.gz GZESRBNYBLNZDT-UHFFFAOYSA-N 0 1 312.279 3.624 20 30 DHEDMN C=CC[C@H](CC)NCc1nc2ccccn2c1Br ZINC000809659993 1026581045 /nfs/dbraw/zinc/58/10/45/1026581045.db2.gz IJUMWZSJTMVQAB-NSHDSACASA-N 0 1 308.223 3.541 20 30 DHEDMN C#C[C@H](N[C@@H]1CCO[C@H](C(C)C)C1)c1ccc(Cl)cc1F ZINC000809698735 1026586527 /nfs/dbraw/zinc/58/65/27/1026586527.db2.gz HFCZFABECRQYEZ-COXVUDFISA-N 0 1 309.812 3.947 20 30 DHEDMN 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C=CCC[C@H](C(=O)N[C@@H](C)Cc1cc(C)[nH]n1)c1ccccc1 ZINC000186778612 1034661015 /nfs/dbraw/zinc/66/10/15/1034661015.db2.gz JCMHERQSGTZXPI-KSSFIOAISA-N 0 1 311.429 3.515 20 30 DHEDMN COc1cc(Nc2sc3c(c2C#N)CCN(C)C3)ccc1C ZINC001175012957 1034736038 /nfs/dbraw/zinc/73/60/38/1034736038.db2.gz QTPWBBOUKSAZBZ-UHFFFAOYSA-N 0 1 313.426 3.668 20 30 DHEDMN FC(F)(F)Oc1ccccc1N=NCc1c[nH]c2ncccc12 ZINC000777452847 1034749353 /nfs/dbraw/zinc/74/93/53/1034749353.db2.gz JEJKMLNKJAKEBM-UHFFFAOYSA-N 0 1 320.274 3.908 20 30 DHEDMN C=CC[C@H](C(=O)OC)N1CCC(c2ccc(CC)cc2)CC1 ZINC001175087814 1034805870 /nfs/dbraw/zinc/80/58/70/1034805870.db2.gz ISCQWURRYZQRLT-GOSISDBHSA-N 0 1 301.430 3.546 20 30 DHEDMN Cc1ccc(Nc2sc3c(c2C#N)CCN(C)C3)c(F)c1 ZINC001175321451 1034934290 /nfs/dbraw/zinc/93/42/90/1034934290.db2.gz ZTGCWQABAFILIF-UHFFFAOYSA-N 0 1 301.390 3.799 20 30 DHEDMN Cc1cc(Nc2sc3c(c2C#N)CCN(C)C3)cc2c[nH]nc21 ZINC001175517014 1035022537 /nfs/dbraw/zinc/02/25/37/1035022537.db2.gz NFIPPOFDJBTZOV-UHFFFAOYSA-N 0 1 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HDNXSDWOBGVCQW-UHFFFAOYSA-N 0 1 324.399 3.988 20 30 DHEDMN C[C@H](NCC#Cc1ccccc1)c1cnn(Cc2ccccc2)c1 ZINC000483705743 1035291353 /nfs/dbraw/zinc/29/13/53/1035291353.db2.gz ANQHLEFBPBVHAE-SFHVURJKSA-N 0 1 315.420 3.634 20 30 DHEDMN C=CCCCN(CC)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC001176798483 1035333098 /nfs/dbraw/zinc/33/30/98/1035333098.db2.gz QIKRTURUNWPSAW-UHFFFAOYSA-N 0 1 307.344 3.803 20 30 DHEDMN N#Cc1cc(Cl)cc(CN2CCCC[C@H]2[C@H]2CCCO2)c1 ZINC001176926056 1035335612 /nfs/dbraw/zinc/33/56/12/1035335612.db2.gz GXJFCBXUMXQTES-DLBZAZTESA-N 0 1 304.821 3.745 20 30 DHEDMN C=C(Br)CNCc1cc(C)c(OC(F)F)c(C)c1 ZINC001177743897 1035390387 /nfs/dbraw/zinc/39/03/87/1035390387.db2.gz PKLUEAMFGVDMSA-UHFFFAOYSA-N 0 1 320.177 3.903 20 30 DHEDMN C=CC[C@H](NCc1cnn(Cc2ccccc2)c1)c1ccncc1 ZINC001177884904 1035396991 /nfs/dbraw/zinc/39/69/91/1035396991.db2.gz KAGBWQNSNSRRHM-FQEVSTJZSA-N 0 1 318.424 3.733 20 30 DHEDMN N#Cc1oc2ccccc2c1NC(=O)[C@H](C#N)Cc1cccs1 ZINC001177903193 1035397506 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C#CCN(CCOc1ccc(SC)cc1)Cc1ccccc1 ZINC001194164671 1035853824 /nfs/dbraw/zinc/85/38/24/1035853824.db2.gz LBGMNUIVMBXILJ-UHFFFAOYSA-N 0 1 311.450 3.923 20 30 DHEDMN C[C@@H](NCc1cccc(C#N)n1)c1ccc(Br)cc1 ZINC001181266033 1035875224 /nfs/dbraw/zinc/87/52/24/1035875224.db2.gz HEYNLDZBQXPENR-LLVKDONJSA-N 0 1 316.202 3.567 20 30 DHEDMN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC001194270526 1035896408 /nfs/dbraw/zinc/89/64/08/1035896408.db2.gz YOIDNMPTZKNPNH-FHWLQOOXSA-N 0 1 317.477 3.800 20 30 DHEDMN C=C(C)CN(CC)C(=O)CN[C@@H](CCC)c1ccc(F)cc1F ZINC000540423905 1036064241 /nfs/dbraw/zinc/06/42/41/1036064241.db2.gz GAYNOOMFFXNTMN-KRWDZBQOSA-N 0 1 324.415 3.820 20 30 DHEDMN C#C[C@@H](NCc1cc(Cl)c(C)cc1O)c1ccc(F)cc1 ZINC001182020099 1036086064 /nfs/dbraw/zinc/08/60/64/1036086064.db2.gz GFUJSEVKRRQXKN-MRXNPFEDSA-N 0 1 303.764 3.957 20 30 DHEDMN Oc1c(Cl)cc(Cl)cc1/C=N\Cc1ccn2ccnc2c1 ZINC000761787148 1036155274 /nfs/dbraw/zinc/15/52/74/1036155274.db2.gz SFLVVBFWFGUMOR-NVMNQCDNSA-N 0 1 320.179 3.966 20 30 DHEDMN COC(=O)c1coc(/C=C\C(=O)c2ccc3ccccc3c2O)c1 ZINC000774135827 1036194971 /nfs/dbraw/zinc/19/49/71/1036194971.db2.gz PFXGROUWJHKMLM-CLFYSBASSA-N 0 1 322.316 3.821 20 30 DHEDMN Cc1cccc(Cl)c1S(=O)(=O)Nc1ccc(CC#N)cc1 ZINC001195308470 1036216166 /nfs/dbraw/zinc/21/61/66/1036216166.db2.gz OZSLBEFGJQSTPV-UHFFFAOYSA-N 0 1 320.801 3.515 20 30 DHEDMN Cc1cccc(Cl)c1S(=O)(=O)Nc1cccc(CC#N)c1 ZINC001195317402 1036219749 /nfs/dbraw/zinc/21/97/49/1036219749.db2.gz ZQXHCJKHLDAJSK-UHFFFAOYSA-N 0 1 320.801 3.515 20 30 DHEDMN N#Cc1ccc(C(=O)NC2CCC(c3ccccc3)CC2)c(O)c1 ZINC001195763819 1036331762 /nfs/dbraw/zinc/33/17/62/1036331762.db2.gz CZTLUPWDIHEGHV-UHFFFAOYSA-N 0 1 320.392 3.720 20 30 DHEDMN CC(C)[C@@H](NC(=O)c1ccc(C#N)cc1O)c1ccc(F)cc1 ZINC001195764197 1036332806 /nfs/dbraw/zinc/33/28/06/1036332806.db2.gz HRHVQXFGUMDGKV-QGZVFWFLSA-N 0 1 312.344 3.530 20 30 DHEDMN C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(=O)oc2cc([O-])ccc12 ZINC001196055338 1036421444 /nfs/dbraw/zinc/42/14/44/1036421444.db2.gz BEGFFAIOSHHRJU-CXAGYDPISA-N 0 1 313.397 3.723 20 30 DHEDMN C=C1O[C@@H](CC)C(=O)C1Oc1cc(Cl)nc(C(F)(F)F)c1 ZINC001233807318 1036479735 /nfs/dbraw/zinc/47/97/35/1036479735.db2.gz AIEXOGBWKNNEMF-QMMMGPOBSA-N 0 1 321.682 3.742 20 30 DHEDMN Cc1sc(NC(=O)CN2CC[C@@H](C)C[C@H](C)C2)c(C#N)c1C ZINC000443660498 1036489392 /nfs/dbraw/zinc/48/93/92/1036489392.db2.gz SBIQIKOVTQRAID-NEPJUHHUSA-N 0 1 319.474 3.543 20 30 DHEDMN CC[NH+](CC)Cc1cc(C(C)=NOC2CCCC2)ccc1[O-] ZINC000774596341 1036534918 /nfs/dbraw/zinc/53/49/18/1036534918.db2.gz CVRPUZBKIPWDAI-UHFFFAOYSA-N 0 1 304.434 3.917 20 30 DHEDMN CCC(CC)CC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000151617275 1036568856 /nfs/dbraw/zinc/56/88/56/1036568856.db2.gz UGKQMKBHFHRKQK-LBPRGKRZSA-N 0 1 324.783 3.953 20 30 DHEDMN N#Cc1cccc(CN2CCCC[C@H]2[C@H](O)c2ccccc2)c1F ZINC000774663691 1036652384 /nfs/dbraw/zinc/65/23/84/1036652384.db2.gz OVVBRBKBGOBWHF-AZUAARDMSA-N 0 1 324.399 3.785 20 30 DHEDMN C#CCCCCCCN1CCN(c2ccc(F)cc2F)CC1 ZINC001197051561 1036671676 /nfs/dbraw/zinc/67/16/76/1036671676.db2.gz LJMQDYGUFBCWQI-UHFFFAOYSA-N 0 1 306.400 3.671 20 30 DHEDMN Cc1cccc2c(CCC(=O)Nc3cc(C#N)ccc3O)c[nH]c21 ZINC000176398776 1036694178 /nfs/dbraw/zinc/69/41/78/1036694178.db2.gz ILAKCGCUUFYAEO-UHFFFAOYSA-N 0 1 319.364 3.625 20 30 DHEDMN N#Cc1ccc(O)c(NC(=O)CSc2ccccc2Cl)c1 ZINC000176403155 1036715269 /nfs/dbraw/zinc/71/52/69/1036715269.db2.gz PFZDAZFTNLMCCI-UHFFFAOYSA-N 0 1 318.785 3.648 20 30 DHEDMN Cc1nc2cc(NCc3ccc(O[C@@H](C)C#N)cc3)ccc2n1C ZINC000151969690 1036768284 /nfs/dbraw/zinc/76/82/84/1036768284.db2.gz FLLSIBGTGZOZPZ-ZDUSSCGKSA-N 0 1 320.396 3.785 20 30 DHEDMN CCCCCc1cc(C(=O)N(O)Cc2ccccc2Cl)[nH]n1 ZINC001184293459 1036806186 /nfs/dbraw/zinc/80/61/86/1036806186.db2.gz UILWMPKMPPRDTL-UHFFFAOYSA-N 0 1 321.808 3.827 20 30 DHEDMN CC(C)(C)OC[C@H]1CCCN1Cc1ccc(C#N)cc1Cl ZINC001197629671 1036837413 /nfs/dbraw/zinc/83/74/13/1036837413.db2.gz HYMOUWOLHSNZIW-OAHLLOKOSA-N 0 1 306.837 3.991 20 30 DHEDMN Cc1cccc(CN2CCN(c3cc(C)cc(F)c3C#N)CC2)c1 ZINC001184572556 1036890585 /nfs/dbraw/zinc/89/05/85/1036890585.db2.gz SRIOOUBRSQCMFW-UHFFFAOYSA-N 0 1 323.415 3.636 20 30 DHEDMN N#Cc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2O)cc1 ZINC001184762255 1036946738 /nfs/dbraw/zinc/94/67/38/1036946738.db2.gz STBARIFIYDNRDK-UHFFFAOYSA-N 0 1 321.258 3.927 20 30 DHEDMN COc1ncc(CN(C)Cc2cc(C#N)cs2)c2ccccc12 ZINC001198202940 1036969588 /nfs/dbraw/zinc/96/95/88/1036969588.db2.gz TWWGEBOGBXKTAY-UHFFFAOYSA-N 0 1 323.421 3.809 20 30 DHEDMN CN(Cc1cc(C#N)cs1)Cc1cc2ccccc2[nH]c1=O ZINC001198195022 1036975113 /nfs/dbraw/zinc/97/51/13/1036975113.db2.gz PQHUPHIMGMBKCG-UHFFFAOYSA-N 0 1 309.394 3.506 20 30 DHEDMN N#Cc1ccc(Br)c(C[N@H+]2CC[C@H]3CCC[C@H]32)c1 ZINC000492814316 1037027341 /nfs/dbraw/zinc/02/73/41/1037027341.db2.gz ADFBPNJDFMFSJZ-IUODEOHRSA-N 0 1 305.219 3.695 20 30 DHEDMN C[C@@H](NCCCOc1ccc(C#N)cc1)c1c(F)cccc1F ZINC000774868238 1037123857 /nfs/dbraw/zinc/12/38/57/1037123857.db2.gz MUGLNFLPNKXFHK-CYBMUJFWSA-N 0 1 316.351 3.956 20 30 DHEDMN CCc1ccc(CC(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)cc1 ZINC000763010393 1037216526 /nfs/dbraw/zinc/21/65/26/1037216526.db2.gz CGDRWRUMESAOPH-MRXNPFEDSA-N 0 1 317.392 3.853 20 30 DHEDMN Cc1cc([C@@H]2CCN(Cc3ccc(C#N)o3)C2)c(O)cc1Cl ZINC000597223662 1037244890 /nfs/dbraw/zinc/24/48/90/1037244890.db2.gz SQHZOEDDNHJNIW-GFCCVEGCSA-N 0 1 316.788 3.808 20 30 DHEDMN Cc1ccc(CNCc2cc(C#N)ccc2Br)s1 ZINC001199365516 1037250422 /nfs/dbraw/zinc/25/04/22/1037250422.db2.gz KDZMIJPTMVPGTR-UHFFFAOYSA-N 0 1 321.243 3.981 20 30 DHEDMN COc1ccc(C=NNc2cccc(C(F)(F)F)n2)s1 ZINC000763171107 1037369572 /nfs/dbraw/zinc/36/95/72/1037369572.db2.gz BWDVTRJPGODBDZ-UHFFFAOYSA-N 0 1 301.293 3.617 20 30 DHEDMN Cc1cc(C(C#N)C(=O)[C@H](C)CCCc2ccccc2)nc(C)n1 ZINC000776075834 1037409537 /nfs/dbraw/zinc/40/95/37/1037409537.db2.gz FVXUAYARQPWMAE-RDTXWAMCSA-N 0 1 321.424 3.929 20 30 DHEDMN Cc1cc(C(C#N)C(=O)[C@H](C)CCCc2ccccc2)nc(C)n1 ZINC000776075832 1037410428 /nfs/dbraw/zinc/41/04/28/1037410428.db2.gz FVXUAYARQPWMAE-KDOFPFPSSA-N 0 1 321.424 3.929 20 30 DHEDMN N#Cc1nc(NCc2nc3ccc(Cl)cc3[nH]2)sc1Cl ZINC001186669845 1037459249 /nfs/dbraw/zinc/45/92/49/1037459249.db2.gz OAWLKQFFOBHDHB-UHFFFAOYSA-N 0 1 324.196 3.810 20 30 DHEDMN Clc1ccccc1C#CC[N@H+]1CCCC2(CCOCC2)C1 ZINC000489487620 1037461923 /nfs/dbraw/zinc/46/19/23/1037461923.db2.gz KIRJFRDHYKGSFX-UHFFFAOYSA-N 0 1 303.833 3.584 20 30 DHEDMN Clc1ccccc1C#CCN1CCCC2(CCOCC2)C1 ZINC000489487620 1037461931 /nfs/dbraw/zinc/46/19/31/1037461931.db2.gz KIRJFRDHYKGSFX-UHFFFAOYSA-N 0 1 303.833 3.584 20 30 DHEDMN COc1ccc(CCCN(C)Cc2ccc(F)cc2C#N)cc1 ZINC000489608191 1037496855 /nfs/dbraw/zinc/49/68/55/1037496855.db2.gz WXWSBYDXVVFOHI-UHFFFAOYSA-N 0 1 312.388 3.771 20 30 DHEDMN C=CC[C@H](C(=O)NCc1nc2cccc(C)c2[nH]1)c1ccccc1 ZINC000489658501 1037505935 /nfs/dbraw/zinc/50/59/35/1037505935.db2.gz SMAWXMOOMOLIMK-INIZCTEOSA-N 0 1 319.408 3.847 20 30 DHEDMN N#Cc1cccc(C(F)(F)F)c1Nc1cc(O)cc([N+](=O)[O-])c1 ZINC001201224752 1037581241 /nfs/dbraw/zinc/58/12/41/1037581241.db2.gz TVZXQHWHTTVBKP-UHFFFAOYSA-N 0 1 323.230 3.934 20 30 DHEDMN CCOc1ccc(C=NNc2ccc(C(F)(F)F)cn2)cc1 ZINC000915917529 1037604595 /nfs/dbraw/zinc/60/45/95/1037604595.db2.gz FISPSSGJGKFRJX-UHFFFAOYSA-N 0 1 309.291 3.945 20 30 DHEDMN Cn1c2ccccc2nc1N=NCc1ccc2ncccc2c1 ZINC000915967342 1037619934 /nfs/dbraw/zinc/61/99/34/1037619934.db2.gz HGHCDJKDGVPHBZ-UHFFFAOYSA-N 0 1 301.353 3.568 20 30 DHEDMN CC(=NNCCN1CCCCC1)c1cc(Cl)ccc1Cl ZINC000915973652 1037626334 /nfs/dbraw/zinc/62/63/34/1037626334.db2.gz LEKJWBLRIXLUBI-UHFFFAOYSA-N 0 1 314.260 3.793 20 30 DHEDMN C(=NNc1nccc2sccc21)c1cnc2ccccc2n1 ZINC000915980316 1037628438 /nfs/dbraw/zinc/62/84/38/1037628438.db2.gz SYWLVVWVYPFNGW-UHFFFAOYSA-N 0 1 305.366 3.686 20 30 DHEDMN COc1ccc(-c2n[nH]c(SCC3(C#N)CCCC3)n2)cc1 ZINC000916060057 1037668806 /nfs/dbraw/zinc/66/88/06/1037668806.db2.gz BWWOUNJZQQVCTE-UHFFFAOYSA-N 0 1 314.414 3.656 20 30 DHEDMN COc1cc(C)ccc1CNCc1ccc(O[C@H](C)C#N)cc1 ZINC000151013418 1037685269 /nfs/dbraw/zinc/68/52/69/1037685269.db2.gz WPJMRYDOCHCGRV-OAHLLOKOSA-N 0 1 310.397 3.584 20 30 DHEDMN Cc1cc(CN2CCO[C@]3(CCc4ccccc43)C2)ccc1C#N ZINC000488101194 1037713849 /nfs/dbraw/zinc/71/38/49/1037713849.db2.gz HRIIPNZQPADQIR-OAQYLSRUSA-N 0 1 318.420 3.541 20 30 DHEDMN CCc1ncc(CNc2c(C#N)cnc3c(Cl)cccc32)[nH]1 ZINC001187739864 1037716584 /nfs/dbraw/zinc/71/65/84/1037716584.db2.gz LZTVGNUKMNIFME-UHFFFAOYSA-N 0 1 311.776 3.657 20 30 DHEDMN CC(N=Nc1cccc([N+](=O)[O-])c1)c1ccc(-n2ccnc2)cc1 ZINC000916268960 1037723197 /nfs/dbraw/zinc/72/31/97/1037723197.db2.gz IMMSXNWPYOSUKE-UHFFFAOYSA-N 0 1 321.340 3.617 20 30 DHEDMN CCCCCCCN1Cc2nn(CC3CC3)cc2[C@H](COC)C1 ZINC001201762864 1037884976 /nfs/dbraw/zinc/88/49/76/1037884976.db2.gz YACWNPFARADDDK-KRWDZBQOSA-N 0 1 319.493 3.809 20 30 DHEDMN CCCCCCCN1Cc2ncn(C)c2[C@@H](COCC(C)C)C1 ZINC001201762817 1037886262 /nfs/dbraw/zinc/88/62/62/1037886262.db2.gz WIILWUYIQRGEAM-QGZVFWFLSA-N 0 1 321.509 3.962 20 30 DHEDMN CCCCCCCCCCS(=O)(=O)Nc1nccnc1C ZINC001201834316 1037915240 /nfs/dbraw/zinc/91/52/40/1037915240.db2.gz NADZVIMIAMDISS-UHFFFAOYSA-N 0 1 313.467 3.667 20 30 DHEDMN C=C(C)CN(C)Cc1ccc(OCc2ccccc2F)nc1 ZINC000187461374 1037973121 /nfs/dbraw/zinc/97/31/21/1037973121.db2.gz FPCMMJSSRVMJFU-UHFFFAOYSA-N 0 1 300.377 3.808 20 30 DHEDMN C=C(C)CN(C)Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000497144541 1037976905 /nfs/dbraw/zinc/97/69/05/1037976905.db2.gz KNLMWTSJJBWRRC-MRXNPFEDSA-N 0 1 309.837 3.906 20 30 DHEDMN C=CCN(CC(=O)N(Cc1ccccc1)C(C)(C)C)C(C)C ZINC000917069132 1038166782 /nfs/dbraw/zinc/16/67/82/1038166782.db2.gz JAYJVEIHUYTSLJ-UHFFFAOYSA-N 0 1 302.462 3.710 20 30 DHEDMN C=CC[N@@H+](CC(=O)N[C@H](C)c1cccc2ccccc21)C(C)C ZINC000917071171 1038170128 /nfs/dbraw/zinc/17/01/28/1038170128.db2.gz PFARTNNXFASJDA-MRXNPFEDSA-N 0 1 310.441 3.913 20 30 DHEDMN C=CCN(CC(=O)N[C@H](C)c1cccc2ccccc21)C(C)C ZINC000917071171 1038170144 /nfs/dbraw/zinc/17/01/44/1038170144.db2.gz PFARTNNXFASJDA-MRXNPFEDSA-N 0 1 310.441 3.913 20 30 DHEDMN N#CCc1cc(NC(=O)c2cn[nH]c2-c2ccccc2)ccc1F ZINC001189696368 1038195460 /nfs/dbraw/zinc/19/54/60/1038195460.db2.gz FAYPASMZNXNLNX-UHFFFAOYSA-N 0 1 320.327 3.534 20 30 DHEDMN C=C(C)Cc1ccc(C(=O)Nc2nc3ccc(OC)cc3[nH]2)cc1 ZINC001190211118 1038282106 /nfs/dbraw/zinc/28/21/06/1038282106.db2.gz MPLHYEKLZHXSCW-UHFFFAOYSA-N 0 1 321.380 3.942 20 30 DHEDMN C#CC[C@H](NCC(=O)Nc1cccc(SC)c1)c1ccccc1 ZINC000775401126 1038348241 /nfs/dbraw/zinc/34/82/41/1038348241.db2.gz QNMWGXBVBNIUKI-SFHVURJKSA-N 0 1 324.449 3.701 20 30 DHEDMN C#CC[C@H](NCC(=O)Nc1ccc(CC)cc1)c1ccccc1 ZINC000775401269 1038358541 /nfs/dbraw/zinc/35/85/41/1038358541.db2.gz YFDVFJHSNDZJOJ-IBGZPJMESA-N 0 1 306.409 3.542 20 30 DHEDMN C=CCN(CCc1ccccc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001190708933 1038366017 /nfs/dbraw/zinc/36/60/17/1038366017.db2.gz ZEHHUGDYBQDTRO-UHFFFAOYSA-N 0 1 321.380 3.697 20 30 DHEDMN C=CCCC[C@@H](C)n1cc([C@H](N)c2ccc(Cl)cc2)nn1 ZINC000641234645 1038376767 /nfs/dbraw/zinc/37/67/67/1038376767.db2.gz SRJYJINVZCYRCJ-MLGOLLRUSA-N 0 1 304.825 3.897 20 30 DHEDMN COc1ccc(OC)c([C@@H](C)N[C@H]2CCc3ccc(C#N)cc32)c1 ZINC000589337169 1038461688 /nfs/dbraw/zinc/46/16/88/1038461688.db2.gz NLSLSOFVXBCASX-YJYMSZOUSA-N 0 1 322.408 3.914 20 30 DHEDMN COc1ccc([C@@H](C)NCc2ccc(C#N)c(Cl)c2)cc1O ZINC000589344179 1038461925 /nfs/dbraw/zinc/46/19/25/1038461925.db2.gz FYEXSYLJKFSTJN-LLVKDONJSA-N 0 1 316.788 3.777 20 30 DHEDMN COc1cc(CN[C@@H](C)c2ccc(C)cc2OC)ccc1C#N ZINC000589344321 1038461972 /nfs/dbraw/zinc/46/19/72/1038461972.db2.gz BCAYVKGNVWMWDW-AWEZNQCLSA-N 0 1 310.397 3.735 20 30 DHEDMN COc1cc(F)c(CN[C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000572771597 1038506039 /nfs/dbraw/zinc/50/60/39/1038506039.db2.gz MZQHHICZGYBBNA-GFCCVEGCSA-N 0 1 314.360 3.565 20 30 DHEDMN N#Cc1ccc(CN2CCC(C3CC3)CC2)c(Br)c1 ZINC000590008696 1038564649 /nfs/dbraw/zinc/56/46/49/1038564649.db2.gz UTXJXUXSSAFPGJ-UHFFFAOYSA-N 0 1 319.246 3.943 20 30 DHEDMN N#CCCC[C@@H](NCc1cn2cccc(F)c2n1)c1ccccc1 ZINC000590069740 1038583796 /nfs/dbraw/zinc/58/37/96/1038583796.db2.gz SEMDQVWHAMTVFZ-GOSISDBHSA-N 0 1 322.387 3.998 20 30 DHEDMN N#CCCOCCSc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000590126890 1038589447 /nfs/dbraw/zinc/58/94/47/1038589447.db2.gz KMTDPSLMCUZGMH-UHFFFAOYSA-N 0 1 315.320 3.604 20 30 DHEDMN C=CCN1CCC([NH2+][C@@H](CC)c2cc(Cl)ccc2[O-])CC1 ZINC000775502878 1038596878 /nfs/dbraw/zinc/59/68/78/1038596878.db2.gz XNOJAVKGUFEQHC-INIZCTEOSA-N 0 1 308.853 3.737 20 30 DHEDMN C[C@@H]1Oc2cc(F)ccc2[C@H]1N[C@@H]1CCc2ccc(C#N)cc21 ZINC000573048432 1038739590 /nfs/dbraw/zinc/73/95/90/1038739590.db2.gz CBLGCQHCRXUNBR-JVMOKEISSA-N 0 1 308.356 3.796 20 30 DHEDMN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1nc2c(s1)CCC2 ZINC000591357574 1038837689 /nfs/dbraw/zinc/83/76/89/1038837689.db2.gz RPTYUSVTRRQAGT-HNNXBMFYSA-N 0 1 309.438 3.671 20 30 DHEDMN Cc1ccccc1-c1nc(=NCC(C)(C)CCC#N)s[nH]1 ZINC000599086001 1039036907 /nfs/dbraw/zinc/03/69/07/1039036907.db2.gz XEJROGHVLAOLAA-UHFFFAOYSA-N 0 1 300.431 3.677 20 30 DHEDMN Cc1csc(C(C#N)C(=O)COc2c(C)cc(C)cc2C)n1 ZINC000046030303 1039071887 /nfs/dbraw/zinc/07/18/87/1039071887.db2.gz QLCPTCBCUIPQNN-CQSZACIVSA-N 0 1 314.410 3.632 20 30 DHEDMN Cc1cccc(O[C@@H]2CCCC[C@H]2NCc2ccncc2C#N)c1 ZINC000592107011 1039114931 /nfs/dbraw/zinc/11/49/31/1039114931.db2.gz CGFDBBLPXNYINP-WOJBJXKFSA-N 0 1 321.424 3.742 20 30 DHEDMN N#Cc1cnccc1CN1CCCC[C@@H]1CCc1ccccc1 ZINC000592087379 1039121206 /nfs/dbraw/zinc/12/12/06/1039121206.db2.gz VBIQGCSEDRBQPY-HXUWFJFHSA-N 0 1 305.425 3.941 20 30 DHEDMN C[C@@]1(c2ccccc2)CCCN(Cc2ccncc2C#N)CC1 ZINC000592121154 1039122899 /nfs/dbraw/zinc/12/28/99/1039122899.db2.gz FWUUEHQPXXQDGS-HXUWFJFHSA-N 0 1 305.425 3.897 20 30 DHEDMN COc1ccc(OC)c([C@H](C)NCc2ccc(C)c(C#N)c2)c1 ZINC000599345254 1039125504 /nfs/dbraw/zinc/12/55/04/1039125504.db2.gz OKYQTMIGQNDGMZ-AWEZNQCLSA-N 0 1 310.397 3.735 20 30 DHEDMN C[C@H](NCc1cccnc1C(F)(F)F)c1cccc(C#N)c1 ZINC000599350312 1039127570 /nfs/dbraw/zinc/12/75/70/1039127570.db2.gz UVSLSIVPOIARIN-NSHDSACASA-N 0 1 305.303 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ZINC000833074435 601312296 /nfs/dbraw/zinc/31/22/96/601312296.db2.gz XWWQDTKNZJHJTN-JKSUJKDBSA-N 0 1 312.394 3.583 20 30 DHEDMN N#Cc1cccc([C@H](C(=O)[O-])[N@H+]2CCC[C@H]2c2ccsc2)c1 ZINC000833074435 601312299 /nfs/dbraw/zinc/31/22/99/601312299.db2.gz XWWQDTKNZJHJTN-JKSUJKDBSA-N 0 1 312.394 3.583 20 30 DHEDMN CC(C)(C#N)CCC[N@H+]1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000826072627 601432764 /nfs/dbraw/zinc/43/27/64/601432764.db2.gz YVJCFOPQPWUYLL-JKSUJKDBSA-N 0 1 306.450 3.672 20 30 DHEDMN CCC(CC)C[N@H+](CCC#N)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000828859238 601643011 /nfs/dbraw/zinc/64/30/11/601643011.db2.gz WIIKMCVPQKEKGS-UHFFFAOYSA-N 0 1 306.381 3.676 20 30 DHEDMN CCC(CC)C[N@@H+](CCC#N)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000828859238 601643012 /nfs/dbraw/zinc/64/30/12/601643012.db2.gz WIIKMCVPQKEKGS-UHFFFAOYSA-N 0 1 306.381 3.676 20 30 DHEDMN C[C@H]1CC[N@H+](Cc2cccc(C(=O)[O-])c2C#N)[C@@H](c2ccco2)C1 ZINC000833616129 604610647 /nfs/dbraw/zinc/61/06/47/604610647.db2.gz QLKFCUXEBSFQLJ-SUMWQHHRSA-N 0 1 324.380 3.823 20 30 DHEDMN C[C@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)[C@@H](c2ccco2)C1 ZINC000833616129 604610652 /nfs/dbraw/zinc/61/06/52/604610652.db2.gz QLKFCUXEBSFQLJ-SUMWQHHRSA-N 0 1 324.380 3.823 20 30 DHEDMN C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1cccc(C(=O)[O-])c1C#N ZINC000833589166 604613852 /nfs/dbraw/zinc/61/38/52/604613852.db2.gz UQCMTWZDJCJNIA-WMLDXEAASA-N 0 1 320.392 3.634 20 30 DHEDMN C[N@@H+](Cc1ccc(C(=O)[O-])cc1)Cc1ccccc1C(C)(C)C#N ZINC000830819289 604671286 /nfs/dbraw/zinc/67/12/86/604671286.db2.gz AYSYEZYYHZGART-UHFFFAOYSA-N 0 1 322.408 3.818 20 30 DHEDMN C=C1CC[NH+]([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC000571337316 605126839 /nfs/dbraw/zinc/12/68/39/605126839.db2.gz OUJPDFFJSUBQKB-ZDUSSCGKSA-N 0 1 300.185 3.771 20 30 DHEDMN C=CCc1cc(CN(C)Cc2ccsc2)cc(OC)c1O ZINC000120464148 1013264306 /nfs/dbraw/zinc/26/43/06/1013264306.db2.gz CEGSQHZKPLNGNB-UHFFFAOYSA-N 0 1 303.427 3.823 20 30 DHEDMN N#Cc1ccc(C2=CC[N@@H+](Cc3ccc(C(=O)[O-])s3)CC2)cc1 ZINC001574485857 961679839 /nfs/dbraw/zinc/67/98/39/961679839.db2.gz LDEJTGYFGWTBOH-UHFFFAOYSA-N 0 1 324.405 3.607 20 30 DHEDMN CC[C@@H](C#N)Oc1cccc(CNCc2cc(C#N)cs2)c1 ZINC000748099161 1013301153 /nfs/dbraw/zinc/30/11/53/1013301153.db2.gz GDBPYATWHUPWND-HNNXBMFYSA-N 0 1 311.410 3.591 20 30 DHEDMN C#C[C@@H](NC1CC2(C1)CO[C@H](C)C2)c1ccc(Cl)cc1F ZINC000894408155 1013335800 /nfs/dbraw/zinc/33/58/00/1013335800.db2.gz ZVKYNGUDWHSFLR-QQBRFCFWSA-N 0 1 307.796 3.701 20 30 DHEDMN C=CC[C@@H](C(=O)N1CCC(c2cc(C)[nH]n2)CC1)c1ccccc1 ZINC000275377700 1013411346 /nfs/dbraw/zinc/41/13/46/1013411346.db2.gz WVLWCROPTVFMPS-GOSISDBHSA-N 0 1 323.440 3.784 20 30 DHEDMN COc1ccccc1[C@H]1CCCN1Cc1ccc(C#N)cc1OC ZINC000120821680 1013513351 /nfs/dbraw/zinc/51/33/51/1013513351.db2.gz YCRZZBFJYWHIDX-GOSISDBHSA-N 0 1 322.408 3.913 20 30 DHEDMN N#CCC1CCN(Cc2cncc(OCc3ccccc3)c2)CC1 ZINC000519757983 1013602883 /nfs/dbraw/zinc/60/28/83/1013602883.db2.gz KJYZMBZPSLFTFT-UHFFFAOYSA-N 0 1 321.424 3.786 20 30 DHEDMN C=C[C@@](C)(CC)C(=O)N1CCN([C@H](CC)c2ccccc2)CC1 ZINC001126496526 1013625556 /nfs/dbraw/zinc/62/55/56/1013625556.db2.gz GYVQBVIPMRKFKW-QUCCMNQESA-N 0 1 314.473 3.884 20 30 DHEDMN CC(C)n1nccc1C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430622631 1013642534 /nfs/dbraw/zinc/64/25/34/1013642534.db2.gz FVSITEGVWAVNRU-NSHDSACASA-N 0 1 316.430 3.708 20 30 DHEDMN Cc1cc(C[C@H](C)NC(=O)c2coc(C3CCCCC3)n2)n[nH]1 ZINC000328758086 1013795461 /nfs/dbraw/zinc/79/54/61/1013795461.db2.gz VOHDWQSNCKASLX-NSHDSACASA-N 0 1 316.405 3.690 20 30 DHEDMN Cc1cc([C@@H]2CCCN(C(=O)NC[C@@H]3CCC[C@H](C)C3)C2)n[nH]1 ZINC000328679116 1013792812 /nfs/dbraw/zinc/79/28/12/1013792812.db2.gz BLZQVNBBJJTDIZ-NUEKZKHPSA-N 0 1 318.465 3.638 20 30 DHEDMN Cc1cc([C@@H]2CCCN(C(=O)N[C@@H](C)C3CCCCC3)C2)n[nH]1 ZINC000328761901 1013794893 /nfs/dbraw/zinc/79/48/93/1013794893.db2.gz YJNFOANNECUIBG-GOEBONIOSA-N 0 1 318.465 3.780 20 30 DHEDMN CCc1nc([C@H](C)NC(=O)[C@H]2CCSc3ccccc32)n[nH]1 ZINC000328907706 1013807457 /nfs/dbraw/zinc/80/74/57/1013807457.db2.gz CJPHPVBYZXNJJH-JQWIXIFHSA-N 0 1 316.430 3.664 20 30 DHEDMN Fc1ccc(CN=Nc2ccc(Br)cn2)cc1F ZINC000727265928 1019679641 /nfs/dbraw/zinc/67/96/41/1019679641.db2.gz CLGVBKMMQFXXCK-UHFFFAOYSA-N 0 1 312.117 3.568 20 30 DHEDMN Cc1cccc(NC(=O)[C@H](C)N[C@@H](C)c2cccc(C#N)c2)c1 ZINC000610346066 1013954603 /nfs/dbraw/zinc/95/46/03/1013954603.db2.gz JPSJSANWKMPZIY-GJZGRUSLSA-N 0 1 307.397 3.545 20 30 DHEDMN Cc1cccc(C)c1NC(=O)[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000610345880 1013955121 /nfs/dbraw/zinc/95/51/21/1013955121.db2.gz BFISDOJMIBBNFJ-JKSUJKDBSA-N 0 1 321.424 3.853 20 30 DHEDMN CCCn1nc(C)c(/C=C\C(=O)c2cc(F)ccc2O)c1C ZINC000255164479 1013986238 /nfs/dbraw/zinc/98/62/38/1013986238.db2.gz OVJLEPNANRCCSO-VURMDHGXSA-N 0 1 302.349 3.651 20 30 DHEDMN N#Cc1ccc2c(c1)[C@H](NCc1ccc(Br)o1)CC2 ZINC001347340523 1014049667 /nfs/dbraw/zinc/04/96/67/1014049667.db2.gz DDSUZWSEKCRCSG-CQSZACIVSA-N 0 1 317.186 3.691 20 30 DHEDMN COc1ccc(C2CCN(Cc3ccccc3C#N)CC2)cc1 ZINC000610410625 1014077637 /nfs/dbraw/zinc/07/76/37/1014077637.db2.gz MJSGWXXELLUUDX-UHFFFAOYSA-N 0 1 306.409 3.946 20 30 DHEDMN N#Cc1ccc(CN2CCC[C@]3(C2)OCc2ccccc23)cc1F ZINC000361749208 1032081592 /nfs/dbraw/zinc/08/15/92/1032081592.db2.gz JLIPEYXYYIVQMN-HXUWFJFHSA-N 0 1 322.383 3.719 20 30 DHEDMN C=CC[C@@H]1CCC[N@H+](CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000656760795 975689072 /nfs/dbraw/zinc/68/90/72/975689072.db2.gz ZSJAGFRQTOHJSZ-CYBMUJFWSA-N 0 1 323.820 3.705 20 30 DHEDMN C=C(C)C[C@H](C)c1nc(Cc2nnc(-c3ccccc3)[nH]2)no1 ZINC000580799833 1014355470 /nfs/dbraw/zinc/35/54/70/1014355470.db2.gz LKQNOIHYOWICJY-LBPRGKRZSA-N 0 1 309.373 3.515 20 30 DHEDMN CC(C)Cn1nccc1C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000580951709 1014477789 /nfs/dbraw/zinc/47/77/89/1014477789.db2.gz JBCMYSJTYLYOES-GFCCVEGCSA-N 0 1 316.430 3.609 20 30 DHEDMN C=CCCCS(=O)(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000427779192 1014528058 /nfs/dbraw/zinc/52/80/58/1014528058.db2.gz KQZDIYQFWMHFRZ-UHFFFAOYSA-N 0 1 319.430 3.538 20 30 DHEDMN CCC(CC)CCC[N@@H+](C)Cc1cccc(C(=O)[O-])c1C#N ZINC001595109875 979448240 /nfs/dbraw/zinc/44/82/40/979448240.db2.gz PMAALBBCNHENSC-UHFFFAOYSA-N 0 1 302.418 3.905 20 30 DHEDMN C=C[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])c(Br)c1 ZINC000902545476 980928306 /nfs/dbraw/zinc/92/83/06/980928306.db2.gz WVBKUQVYRJPSRF-LBPRGKRZSA-N 0 1 324.218 3.688 20 30 DHEDMN C=C[C@H]1CCCC[N@@H+]1Cc1ccc(C(=O)[O-])c(Br)c1 ZINC000902545476 980928307 /nfs/dbraw/zinc/92/83/07/980928307.db2.gz WVBKUQVYRJPSRF-LBPRGKRZSA-N 0 1 324.218 3.688 20 30 DHEDMN COc1cc(CN(Cc2cccc(F)c2)C2CC2)ccc1C#N ZINC000442813949 1014741313 /nfs/dbraw/zinc/74/13/13/1014741313.db2.gz SNZPDHGEFKIBNH-UHFFFAOYSA-N 0 1 310.372 3.871 20 30 DHEDMN COc1cc(CN2CCC[C@H](C(F)(F)F)[C@H]2C)ccc1C#N ZINC000442832968 1014744844 /nfs/dbraw/zinc/74/48/44/1014744844.db2.gz GRDCRGXLWSZONN-RISCZKNCSA-N 0 1 312.335 3.730 20 30 DHEDMN Cc1cc(NC(=O)c2ccc(C#N)c(O)c2)cc(C)c1Cl ZINC000443167334 1014829835 /nfs/dbraw/zinc/82/98/35/1014829835.db2.gz CJXRRTIRMJHKGA-UHFFFAOYSA-N 0 1 300.745 3.786 20 30 DHEDMN C=C(C)CN(CC)C(=O)CN1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000522069913 1014876830 /nfs/dbraw/zinc/87/68/30/1014876830.db2.gz TVZOCKPRTSVXAD-MRXNPFEDSA-N 0 1 320.864 3.554 20 30 DHEDMN CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(=O)[O-])c(C)c1 ZINC001595886114 982913821 /nfs/dbraw/zinc/91/38/21/982913821.db2.gz XYEFREWHPWGTSO-UHFFFAOYSA-N 0 1 322.408 3.977 20 30 DHEDMN C=CC[C@H](C(=O)[O-])[N@@H+](CC)CCc1ccc(C(F)(F)F)cc1 ZINC001588728844 983984546 /nfs/dbraw/zinc/98/45/46/983984546.db2.gz LWNCGDDDNANZHZ-CQSZACIVSA-N 0 1 315.335 3.599 20 30 DHEDMN C=CC[N@H+](CCc1ccccc1)Cc1csc(C(=O)[O-])c1 ZINC001588829005 984311071 /nfs/dbraw/zinc/31/10/71/984311071.db2.gz XUUVHVDEXQETFJ-UHFFFAOYSA-N 0 1 301.411 3.677 20 30 DHEDMN C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cccc(C(=O)[O-])c1 ZINC001588832541 984323738 /nfs/dbraw/zinc/32/37/38/984323738.db2.gz IZNQWXFMHUMNIQ-UHFFFAOYSA-N 0 1 311.381 3.582 20 30 DHEDMN C=CCOc1ccc(-c2noc([C@@H]3C[C@H](C)CCN3)n2)c(F)c1 ZINC001211880592 1015097235 /nfs/dbraw/zinc/09/72/35/1015097235.db2.gz IZRQTSOXWBSECJ-ABAIWWIYSA-N 0 1 317.364 3.501 20 30 DHEDMN C#CCOc1ccccc1CN[C@@H](C)c1cnn(C(C)C)c1C ZINC000276595558 1015390262 /nfs/dbraw/zinc/39/02/62/1015390262.db2.gz XDLGNXMBRBEVBJ-HNNXBMFYSA-N 0 1 311.429 3.635 20 30 DHEDMN C=CCN(Cc1cccs1)C[C@H](O)c1ccc(F)cc1F ZINC000051262279 1015395549 /nfs/dbraw/zinc/39/55/49/1015395549.db2.gz DHDCCSNNMXKPNL-INIZCTEOSA-N 0 1 309.381 3.748 20 30 DHEDMN C=CCOc1ccc(CN2CCC(CC)(CO)CC2)cc1Cl ZINC000536662756 1015416369 /nfs/dbraw/zinc/41/63/69/1015416369.db2.gz XOCHSORVTNRMAG-UHFFFAOYSA-N 0 1 323.864 3.889 20 30 DHEDMN Cc1ccc(OC(F)F)c(CNCc2ccc(CC#N)cc2)c1 ZINC000581884185 1015449608 /nfs/dbraw/zinc/44/96/08/1015449608.db2.gz XOITVUJQLVXANI-UHFFFAOYSA-N 0 1 316.351 3.952 20 30 DHEDMN CCCN(Cc1cnn(C2CCC2)c1)Cc1ccc(C#N)cc1 ZINC000891653682 1015488145 /nfs/dbraw/zinc/48/81/45/1015488145.db2.gz USWKWULOTGVSIY-UHFFFAOYSA-N 0 1 308.429 3.892 20 30 DHEDMN C[C@@H]1CCN(CC(=O)NC2(C#N)CCCCC2)CC12CCC2 ZINC000329094325 1015639404 /nfs/dbraw/zinc/63/94/04/1015639404.db2.gz BFMQWOOYKLLEHD-OAHLLOKOSA-N 0 1 303.450 3.681 20 30 DHEDMN CC(C)[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)CC1 ZINC001591087697 991610637 /nfs/dbraw/zinc/61/06/37/991610637.db2.gz QMIQWKMTEMUMIH-CQSZACIVSA-N 0 1 300.402 3.515 20 30 DHEDMN C[N@H+](Cc1ccc(C(=O)[O-])cc1)Cc1ccc(Cl)cc1C#N ZINC001598513860 992596762 /nfs/dbraw/zinc/59/67/62/992596762.db2.gz CVIMFHKXNGWTAA-UHFFFAOYSA-N 0 1 314.772 3.542 20 30 DHEDMN C[N@@H+](Cc1ccc(C(=O)[O-])cc1)Cc1ccc(Cl)cc1C#N ZINC001598513860 992596768 /nfs/dbraw/zinc/59/67/68/992596768.db2.gz CVIMFHKXNGWTAA-UHFFFAOYSA-N 0 1 314.772 3.542 20 30 DHEDMN N#Cc1ccc(O)c(NC(=O)[C@@H](c2ccncc2)C2CCCC2)c1 ZINC000896821230 1015759554 /nfs/dbraw/zinc/75/95/54/1015759554.db2.gz PXGICUOCMPQPJP-GOSISDBHSA-N 0 1 321.380 3.571 20 30 DHEDMN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[C@@H](O)C1CCCCC1 ZINC000475021414 1015768013 /nfs/dbraw/zinc/76/80/13/1015768013.db2.gz BYKMQJCYNYEANX-HSALFYBXSA-N 0 1 312.457 3.699 20 30 DHEDMN N#C[C@H](c1ccccc1)[C@H]1CCCN1C[C@H](O)CC1CCCC1 ZINC000475023739 1015775190 /nfs/dbraw/zinc/77/51/90/1015775190.db2.gz OIUHMRZQCLKWQM-VAMGGRTRSA-N 0 1 312.457 3.699 20 30 DHEDMN COCC1(C#N)CCN([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000341980682 1015862290 /nfs/dbraw/zinc/86/22/90/1015862290.db2.gz ATVXOXYQHFPMJE-MRXNPFEDSA-N 0 1 304.821 3.579 20 30 DHEDMN COc1ccc(C#N)cc1CNC1(c2ccc(F)cc2)CCC1 ZINC000610982791 1015975436 /nfs/dbraw/zinc/97/54/36/1015975436.db2.gz NOTIVYFITBREKT-UHFFFAOYSA-N 0 1 310.372 3.875 20 30 DHEDMN CCOc1ccc([C@H]2CCC[N@H+]2Cc2ccnc(C#N)c2)cc1 ZINC000610991778 1015997270 /nfs/dbraw/zinc/99/72/70/1015997270.db2.gz YREZSLCCOGPPCT-LJQANCHMSA-N 0 1 307.397 3.689 20 30 DHEDMN CCOc1ccc([C@H]2CCCN2Cc2ccnc(C#N)c2)cc1 ZINC000610991778 1015997276 /nfs/dbraw/zinc/99/72/76/1015997276.db2.gz YREZSLCCOGPPCT-LJQANCHMSA-N 0 1 307.397 3.689 20 30 DHEDMN C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccsc1C(=O)[O-] ZINC001593698739 996166786 /nfs/dbraw/zinc/16/67/86/996166786.db2.gz MQKCLFDIGOPAOQ-LLVKDONJSA-N 0 1 300.383 3.511 20 30 DHEDMN CC1(C)CCC(C)(C)[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC001593873811 996685216 /nfs/dbraw/zinc/68/52/16/996685216.db2.gz BQWKWHYYADKOAV-UHFFFAOYSA-N 0 1 300.402 3.657 20 30 DHEDMN CC[C@@H](NCc1cccc(C#N)c1F)c1cccc([N+](=O)[O-])c1 ZINC000342270796 1016215494 /nfs/dbraw/zinc/21/54/94/1016215494.db2.gz WQAOUDNBHKWMIR-MRXNPFEDSA-N 0 1 313.332 3.846 20 30 DHEDMN C=CCOc1cccc(CN[C@H](C)c2n[nH]c([C@@H](C)CC)n2)c1 ZINC000277418323 1016303484 /nfs/dbraw/zinc/30/34/84/1016303484.db2.gz MIGWRKKBTDRGSL-UONOGXRCSA-N 0 1 314.433 3.734 20 30 DHEDMN CCCN(Cc1ccc(C#N)cc1)[C@H](C)C(=O)Nc1ccccc1 ZINC000120032812 1016551343 /nfs/dbraw/zinc/55/13/43/1016551343.db2.gz RGIKLEQFPOARSR-MRXNPFEDSA-N 0 1 321.424 3.797 20 30 DHEDMN C[C@H](N(C)Cc1cc(C#N)ccc1Br)C1(C)CC1 ZINC000492482855 1036887833 /nfs/dbraw/zinc/88/78/33/1036887833.db2.gz ITPRJGBLVRQMRA-NSHDSACASA-N 0 1 307.235 3.941 20 30 DHEDMN C[C@@H](N[C@H]1CN(C)Cc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000540706582 1016600469 /nfs/dbraw/zinc/60/04/69/1016600469.db2.gz MOMILTIWSQHJAW-YJYMSZOUSA-N 0 1 309.388 3.535 20 30 DHEDMN COc1ccc(CN(C)Cc2cc(C#N)ccc2OC)cc1C ZINC000158230890 1016700486 /nfs/dbraw/zinc/70/04/86/1016700486.db2.gz CILMODQRVRIXGO-UHFFFAOYSA-N 0 1 310.397 3.516 20 30 DHEDMN COc1ccc(CN2C[C@H](C)C[C@H]2c2cccnc2)cc1C#N ZINC000347203421 1016781709 /nfs/dbraw/zinc/78/17/09/1016781709.db2.gz PNGDODOUTPJTJF-KDOFPFPSSA-N 0 1 307.397 3.545 20 30 DHEDMN C=CCCCC(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000175629941 1016870429 /nfs/dbraw/zinc/87/04/29/1016870429.db2.gz QQANTZXGKOEMEE-UHFFFAOYSA-N 0 1 306.369 3.920 20 30 DHEDMN C=CC[C@@H]1N(C(=O)[C@@H]2C[C@H](C)Cc3c[nH]nc32)CCCC1(C)C ZINC000623213494 1016919901 /nfs/dbraw/zinc/91/99/01/1016919901.db2.gz YLKRIUGAPPTPDJ-BMFZPTHFSA-N 0 1 315.461 3.669 20 30 DHEDMN N#C[C@H](C(=O)c1ccoc1C1CC1)c1cnc2ccccc2n1 ZINC000342682637 1017003397 /nfs/dbraw/zinc/00/33/97/1017003397.db2.gz SJXWONHMNUVYPY-ZDUSSCGKSA-N 0 1 303.321 3.590 20 30 DHEDMN N#CC(C(=O)c1ccoc1C1CC1)c1cnc2ccccc2n1 ZINC000342682637 1017003409 /nfs/dbraw/zinc/00/34/09/1017003409.db2.gz SJXWONHMNUVYPY-ZDUSSCGKSA-N 0 1 303.321 3.590 20 30 DHEDMN C=CCN(Cc1cccc(C#N)c1)Cc1ccc(C#N)cc1C ZINC000186184128 1017045988 /nfs/dbraw/zinc/04/59/88/1017045988.db2.gz WVLBHLBEXWJLRG-UHFFFAOYSA-N 0 1 301.393 3.927 20 30 DHEDMN COc1cc(CN2CC[C@@H](C(F)(F)F)C[C@H]2C)ccc1C#N ZINC000295017726 1032245911 /nfs/dbraw/zinc/24/59/11/1032245911.db2.gz MVDLOGFCGYJRKD-BXUZGUMPSA-N 0 1 312.335 3.730 20 30 DHEDMN C=CCN(CCc1ccco1)Cc1cnc(OC)c(Cl)c1 ZINC000537613945 1032282609 /nfs/dbraw/zinc/28/26/09/1032282609.db2.gz TXFKSTGYCBGIII-UHFFFAOYSA-N 0 1 306.793 3.567 20 30 DHEDMN CCc1ccccc1NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000169252346 1032300682 /nfs/dbraw/zinc/30/06/82/1032300682.db2.gz PRRPAZDTVABMAO-UHFFFAOYSA-N 0 1 320.801 3.575 20 30 DHEDMN C#CCOc1ccccc1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000772988328 1032378312 /nfs/dbraw/zinc/37/83/12/1032378312.db2.gz OVDLAOVJRFCCGJ-HNNXBMFYSA-N 0 1 324.380 3.766 20 30 DHEDMN Cc1nc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n[nH]1 ZINC000428344558 1017266458 /nfs/dbraw/zinc/26/64/58/1017266458.db2.gz AKMMOCUQZNJGFM-ZDUSSCGKSA-N 0 1 317.396 3.503 20 30 DHEDMN Oc1ccc(C2CCN(CC#Cc3ccc(F)cc3)CC2)cc1 ZINC000121096331 1032419658 /nfs/dbraw/zinc/41/96/58/1032419658.db2.gz HFWUSXPGCYJMFZ-UHFFFAOYSA-N 0 1 309.384 3.762 20 30 DHEDMN CCCCCCCC(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000729847567 1032525191 /nfs/dbraw/zinc/52/51/91/1032525191.db2.gz OTKJPYKFCISTQF-UHFFFAOYSA-N 0 1 318.396 3.588 20 30 DHEDMN CCCCCCCC(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000729847567 1032525197 /nfs/dbraw/zinc/52/51/97/1032525197.db2.gz OTKJPYKFCISTQF-UHFFFAOYSA-N 0 1 318.396 3.588 20 30 DHEDMN C#CCOc1ccc([C@H](C)NCc2ccc(OC)cc2F)cc1 ZINC000773041875 1032537396 /nfs/dbraw/zinc/53/73/96/1032537396.db2.gz SSWIUXMLIGXXSD-AWEZNQCLSA-N 0 1 313.372 3.697 20 30 DHEDMN COc1ccc(CN[C@@H](C)c2ccc(C)cc2OC)cc1C#N ZINC000773081575 1032553273 /nfs/dbraw/zinc/55/32/73/1032553273.db2.gz DPYYHNKXVIDTIO-AWEZNQCLSA-N 0 1 310.397 3.735 20 30 DHEDMN N#C[C@H]1CC[C@@H](N[C@@H]2CCc3c2c(Br)ccc3F)C1 ZINC000424336447 1011986471 /nfs/dbraw/zinc/98/64/71/1011986471.db2.gz YAVLAXYSXWDDKD-IMSIIYSGSA-N 0 1 323.209 3.857 20 30 DHEDMN C[C@@H](C#N)CN(C)CCCCOc1cccc(C(F)(F)F)c1 ZINC000513962540 1012232236 /nfs/dbraw/zinc/23/22/36/1012232236.db2.gz ZLAUNMFGHCKHMR-ZDUSSCGKSA-N 0 1 314.351 3.956 20 30 DHEDMN C=CC[C@@H]1N(C(=O)c2cc3[nH]cnc3cc2F)CCCC1(C)C ZINC000425262959 1012384988 /nfs/dbraw/zinc/38/49/88/1012384988.db2.gz APACVXBXKUTBAR-INIZCTEOSA-N 0 1 315.392 3.909 20 30 DHEDMN CC1=C(C=CC(C)N=Nc2nccn(C)c2=O)C(C)(C)CCC1 ZINC000748079267 1012571175 /nfs/dbraw/zinc/57/11/75/1012571175.db2.gz FLUVRHRQQRAVSP-MKSCYRQDSA-N 0 1 314.433 3.651 20 30 DHEDMN C[C@H]1CCCN(CCCC(C)(C)C#N)[C@H]1C(=O)OC(C)(C)C ZINC000425521621 1012726489 /nfs/dbraw/zinc/72/64/89/1012726489.db2.gz KKDFFNAPYSUNMO-LSDHHAIUSA-N 0 1 308.466 3.759 20 30 DHEDMN N#Cc1cc(F)ccc1CN[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000517233788 1012939452 /nfs/dbraw/zinc/93/94/52/1012939452.db2.gz CAZDUIUIZZQFRG-UONOGXRCSA-N 0 1 300.299 3.908 20 30 DHEDMN N#Cc1cccc(CNCC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000177715135 1017112129 /nfs/dbraw/zinc/11/21/29/1017112129.db2.gz SNOKQMHZJMLPFM-UHFFFAOYSA-N 0 1 314.310 3.718 20 30 DHEDMN C=CCc1cc(CNCc2ccoc2C)cc(OC)c1OC ZINC000840890521 1017405529 /nfs/dbraw/zinc/40/55/29/1017405529.db2.gz OGWGDIVPGRTGSO-UHFFFAOYSA-N 0 1 301.386 3.624 20 30 DHEDMN C=CCOc1ccc(-c2nc(-c3ccn4cncc4c3)no2)cc1 ZINC000351111072 1017413555 /nfs/dbraw/zinc/41/35/55/1017413555.db2.gz WIUFPKSOQWRNMW-UHFFFAOYSA-N 0 1 318.336 3.616 20 30 DHEDMN C[C@@H](NCC#Cc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180455534 1017448631 /nfs/dbraw/zinc/44/86/31/1017448631.db2.gz QCGHFYKLFJTPOP-CYBMUJFWSA-N 0 1 314.772 3.951 20 30 DHEDMN CCn1c(C(O)=C(C#N)c2cc(C)nc(C)n2)cc2ccccc21 ZINC000342842451 1017559421 /nfs/dbraw/zinc/55/94/21/1017559421.db2.gz SZUWSXKBVIUNEG-HNNXBMFYSA-N 0 1 318.380 3.558 20 30 DHEDMN C=CC[C@H]1N(Cc2nc(-c3ccco3)no2)CCCC1(C)C ZINC000444795136 1017683703 /nfs/dbraw/zinc/68/37/03/1017683703.db2.gz XGUURQAIHFFGCO-CQSZACIVSA-N 0 1 301.390 3.896 20 30 DHEDMN C#CC[C@H]1CCCN([C@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC001171489292 1032727774 /nfs/dbraw/zinc/72/77/74/1032727774.db2.gz GFNNIEMIFAOVGK-CABCVRRESA-N 0 1 318.848 3.711 20 30 DHEDMN COC(=O)c1cc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)oc1C ZINC000292538020 1017987375 /nfs/dbraw/zinc/98/73/75/1017987375.db2.gz WDUQTRADOQFYRT-VXGBXAGGSA-N 0 1 312.369 3.658 20 30 DHEDMN COC(=O)c1cccc(C[N@@H+](C)C[C@H](C)c2ccccc2)c1C#N ZINC000535965563 1018202517 /nfs/dbraw/zinc/20/25/17/1018202517.db2.gz ZSYYNKIDNCBLOU-HNNXBMFYSA-N 0 1 322.408 3.580 20 30 DHEDMN COC(=O)c1cccc(CN(C)C[C@H](C)c2ccccc2)c1C#N ZINC000535965563 1018202526 /nfs/dbraw/zinc/20/25/26/1018202526.db2.gz ZSYYNKIDNCBLOU-HNNXBMFYSA-N 0 1 322.408 3.580 20 30 DHEDMN CCC[C@H](C(=O)C(C#N)C(=O)Nc1ccc(CC)cc1)C(C)C ZINC000764567814 1018314159 /nfs/dbraw/zinc/31/41/59/1018314159.db2.gz XPPMARKMDKBGCR-IRXDYDNUSA-N 0 1 314.429 3.969 20 30 DHEDMN C[C@@H](NCc1cnc(-c2ccncc2)s1)c1ccc(C#N)cc1 ZINC000343193181 1018384243 /nfs/dbraw/zinc/38/42/43/1018384243.db2.gz SPOZLSYUCODRCT-CYBMUJFWSA-N 0 1 320.421 3.928 20 30 DHEDMN C#C[C@@H]1CCCN(Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC001171571789 1032785897 /nfs/dbraw/zinc/78/58/97/1032785897.db2.gz BMWFOPIQHWNWGG-CYBMUJFWSA-N 0 1 300.789 3.840 20 30 DHEDMN Fc1ccc(C#CCN2CCC3(CC2)OCc2ccccc23)cc1 ZINC000676632655 1018790526 /nfs/dbraw/zinc/79/05/26/1018790526.db2.gz KYULVDNZAATIQO-UHFFFAOYSA-N 0 1 321.395 3.699 20 30 DHEDMN CC[C@@H](NCc1csc(C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000921819273 1018899102 /nfs/dbraw/zinc/89/91/02/1018899102.db2.gz XAESQFKSEXDFOJ-OAHLLOKOSA-N 0 1 301.371 3.769 20 30 DHEDMN CC(C)C[C@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000765586607 1018963250 /nfs/dbraw/zinc/96/32/50/1018963250.db2.gz IVFVGPVFJPMWLT-NWDGAFQWSA-N 0 1 306.793 3.670 20 30 DHEDMN CC(C)c1cc(N[C@H](CCC#N)c2ccccc2)nc(N(C)C)n1 ZINC000439100625 1019009455 /nfs/dbraw/zinc/00/94/55/1019009455.db2.gz OLWKRIAKLVAXAA-MRXNPFEDSA-N 0 1 323.444 4.123 20 30 DHEDMN C=C(C)CCOC(=O)c1c[nH]c(=NC(=O)OC(C)(C)C)s1 ZINC000923131824 1019037891 /nfs/dbraw/zinc/03/78/91/1019037891.db2.gz JTZRTYPBQXVUGT-UHFFFAOYSA-N 0 1 312.391 3.613 20 30 DHEDMN C[C@H](SCc1ccccc1)C(=O)Nc1cc(C#N)ccc1O ZINC000176825716 1019119083 /nfs/dbraw/zinc/11/90/83/1019119083.db2.gz LWXLQTMNAWTPID-LBPRGKRZSA-N 0 1 312.394 3.524 20 30 DHEDMN N#Cc1ccc(O)c(NC(=O)c2ccc(-c3ccc(F)cc3)o2)c1 ZINC000176826314 1019125582 /nfs/dbraw/zinc/12/55/82/1019125582.db2.gz AZBPQEOQSYPIRR-UHFFFAOYSA-N 0 1 322.295 3.915 20 30 DHEDMN CCCCn1cc(CNCc2c(C)cc(C#N)cc2C)c(C)n1 ZINC000921962714 1019217798 /nfs/dbraw/zinc/21/77/98/1019217798.db2.gz LETZKBHBLMJXSM-UHFFFAOYSA-N 0 1 310.445 3.770 20 30 DHEDMN Cc1csc(C(C#N)C(=O)C=CSCc2ccco2)n1 ZINC000255593065 1019300844 /nfs/dbraw/zinc/30/08/44/1019300844.db2.gz NHWNUQFZGKJTPC-RNZFLTOJSA-N 0 1 304.396 3.668 20 30 DHEDMN COc1ccc(CN(C)Cc2ccccc2C(C)(C)C#N)cn1 ZINC000611209303 1019411413 /nfs/dbraw/zinc/41/14/13/1019411413.db2.gz OYLDDXSVPXGFME-UHFFFAOYSA-N 0 1 309.413 3.523 20 30 DHEDMN CC(C)(C)c1ccc(-c2noc(-c3ncccc3O)n2)c(C#N)c1 ZINC001212480987 1019416126 /nfs/dbraw/zinc/41/61/26/1019416126.db2.gz UAORXBIWPYALGL-UHFFFAOYSA-N 0 1 320.352 3.673 20 30 DHEDMN CC[C@@H]1C[C@@H](C)CN1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000611348020 1019457065 /nfs/dbraw/zinc/45/70/65/1019457065.db2.gz NTJHTKJLZKAZLQ-GDBMZVCRSA-N 0 1 308.429 3.673 20 30 DHEDMN COC(=O)c1cc(CN[C@@H](C)c2cccc(C#N)c2)c(C)s1 ZINC000611388192 1019461988 /nfs/dbraw/zinc/46/19/88/1019461988.db2.gz LASGFFPAHGTPPE-NSHDSACASA-N 0 1 314.410 3.566 20 30 DHEDMN Cc1ccn2cc(CN[C@@H]3CCCc4cc(C#N)ccc43)nc2c1 ZINC000611392326 1019465362 /nfs/dbraw/zinc/46/53/62/1019465362.db2.gz SAIDTMYPHICGHN-LJQANCHMSA-N 0 1 316.408 3.682 20 30 DHEDMN CCN(Cc1ccoc1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000611518267 1019510377 /nfs/dbraw/zinc/51/03/77/1019510377.db2.gz MMMFMFUGOHLINX-UHFFFAOYSA-N 0 1 320.396 3.574 20 30 DHEDMN CCOc1ccccc1C=NNc1ccc(Br)cn1 ZINC000727266439 1019680798 /nfs/dbraw/zinc/68/07/98/1019680798.db2.gz UGEGGWOGEHRNBN-UHFFFAOYSA-N 0 1 320.190 3.689 20 30 DHEDMN N#Cc1ccc(CN=Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000727651671 1019747833 /nfs/dbraw/zinc/74/78/33/1019747833.db2.gz KZKZQRFDAKHVTP-UHFFFAOYSA-N 0 1 300.705 3.566 20 30 DHEDMN C=CCOc1ccc(CNCc2cccc(OC)c2F)cc1 ZINC000671723924 1019772076 /nfs/dbraw/zinc/77/20/76/1019772076.db2.gz ALOFUKQJXCPGES-UHFFFAOYSA-N 0 1 301.361 3.689 20 30 DHEDMN N#CC(=C([O-])c1occ2c1CCC2)c1ccc2ccccc2n1 ZINC000671746114 1019903889 /nfs/dbraw/zinc/90/38/89/1019903889.db2.gz MHQIIGLNJSDYIE-OAHLLOKOSA-N 0 1 302.333 3.807 20 30 DHEDMN N#CC(C(=O)c1occ2c1CCC2)c1ccc2ccccc2n1 ZINC000671746114 1019903894 /nfs/dbraw/zinc/90/38/94/1019903894.db2.gz MHQIIGLNJSDYIE-OAHLLOKOSA-N 0 1 302.333 3.807 20 30 DHEDMN Cc1ccc(-c2nc(C=NNc3ccc(C)nn3)cs2)cc1 ZINC000729938086 1019926570 /nfs/dbraw/zinc/92/65/70/1019926570.db2.gz OMIJRTDZWTYLIF-UHFFFAOYSA-N 0 1 309.398 3.663 20 30 DHEDMN C[C@@H]1CN(Cc2ccccc2)CC1N=Nc1ccc(Cl)nc1 ZINC000751528388 1019979612 /nfs/dbraw/zinc/97/96/12/1019979612.db2.gz BZXAOZKTFCXMEM-CYBMUJFWSA-N 0 1 314.820 3.655 20 30 DHEDMN N#CC(C(=O)C=Cc1ccco1)c1nc2cc(F)ccc2s1 ZINC000730420156 1019983779 /nfs/dbraw/zinc/98/37/79/1019983779.db2.gz AMITYKXGFLXZSW-ITKZLYELSA-N 0 1 312.325 3.918 20 30 DHEDMN COc1c(C)cc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)cc1C ZINC000180743125 1019994089 /nfs/dbraw/zinc/99/40/89/1019994089.db2.gz PHAHFDYFSDNELO-CQSZACIVSA-N 0 1 320.348 3.943 20 30 DHEDMN COc1c(C)cc(C(=O)C(C#N)c2nc3ccccc3o2)cc1C ZINC000180743125 1019994098 /nfs/dbraw/zinc/99/40/98/1019994098.db2.gz PHAHFDYFSDNELO-CQSZACIVSA-N 0 1 320.348 3.943 20 30 DHEDMN N#Cc1ccc2nc(-c3ccc(OC(F)F)c(F)c3)[nH]c2c1 ZINC000154238796 1020083982 /nfs/dbraw/zinc/08/39/82/1020083982.db2.gz MBZOJOWRFJQRIA-UHFFFAOYSA-N 0 1 303.243 3.842 20 30 DHEDMN CCCOc1c(C=NNc2ccc(F)cn2)cccc1OCC ZINC000731317974 1020094235 /nfs/dbraw/zinc/09/42/35/1020094235.db2.gz GUMUSECZBPRLGF-UHFFFAOYSA-N 0 1 317.364 3.854 20 30 DHEDMN C=CCC[C@H](O)C[N@H+]1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000347723046 1020121085 /nfs/dbraw/zinc/12/10/85/1020121085.db2.gz FCLMLRTWJXUCCT-BBRMVZONSA-N 0 1 319.836 3.680 20 30 DHEDMN C=CCC[C@H](O)C[N@H+]1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000347723046 1020121099 /nfs/dbraw/zinc/12/10/99/1020121099.db2.gz FCLMLRTWJXUCCT-BBRMVZONSA-N 0 1 319.836 3.680 20 30 DHEDMN N#Cc1ccc(CN2CCC[C@H](Nc3ccccc3)C2)c(F)c1 ZINC000154939336 1020169267 /nfs/dbraw/zinc/16/92/67/1020169267.db2.gz QYXMXJSZFUBUBV-SFHVURJKSA-N 0 1 309.388 3.774 20 30 DHEDMN N#Cc1ccc(CN2CCC[C@@H](Nc3ccccc3)C2)c(F)c1 ZINC000154939220 1020170413 /nfs/dbraw/zinc/17/04/13/1020170413.db2.gz QYXMXJSZFUBUBV-GOSISDBHSA-N 0 1 309.388 3.774 20 30 DHEDMN COc1ccc([C@H](C)N(C)Cc2cc(C#N)ccc2OC)cc1 ZINC000124579789 1020198120 /nfs/dbraw/zinc/19/81/20/1020198120.db2.gz FJNLKUZEGWBBQP-AWEZNQCLSA-N 0 1 310.397 3.768 20 30 DHEDMN COc1ccc(OC)c([C@H](C)NCc2ccc(C#N)cc2C)c1 ZINC000186318074 1020235573 /nfs/dbraw/zinc/23/55/73/1020235573.db2.gz HEBACAFCIMPTSK-AWEZNQCLSA-N 0 1 310.397 3.735 20 30 DHEDMN N#CC(C(=O)C[C@H]1CCC2(CCC2)O1)c1ccc2ccccc2n1 ZINC000892427812 1020244277 /nfs/dbraw/zinc/24/42/77/1020244277.db2.gz QBWMMIWRCPSXPL-HZPDHXFCSA-N 0 1 320.392 3.903 20 30 DHEDMN COCc1ccc([C@H]2CCCN2Cc2ccc(C#N)cc2C)o1 ZINC000186333938 1020245520 /nfs/dbraw/zinc/24/55/20/1020245520.db2.gz HCRLHRMJZBZDSC-GOSISDBHSA-N 0 1 310.397 3.943 20 30 DHEDMN N#CCCOCCN1CCc2sccc2[C@@H]1c1cccs1 ZINC000338880202 1020279564 /nfs/dbraw/zinc/27/95/64/1020279564.db2.gz LFSIFTJWGGTONE-MRXNPFEDSA-N 0 1 318.467 3.687 20 30 DHEDMN C#CCN(CCC)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733195786 1020343473 /nfs/dbraw/zinc/34/34/73/1020343473.db2.gz WFKHUQSOLDSKMK-CQSZACIVSA-N 0 1 308.219 3.618 20 30 DHEDMN COCCN(Cc1ccc(C)s1)Cc1ccc(C#N)cc1 ZINC000125736626 1020343882 /nfs/dbraw/zinc/34/38/82/1020343882.db2.gz OEKLXBWNUDMJOA-UHFFFAOYSA-N 0 1 300.427 3.577 20 30 DHEDMN C=C(Br)CSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000213849253 1020412158 /nfs/dbraw/zinc/41/21/58/1020412158.db2.gz JYYOUIFVKGPRTJ-FPLPWBNLSA-N 0 1 322.231 3.976 20 30 DHEDMN Cc1ccc(Cl)c(S(=O)(=O)Nc2cccc(C#N)c2C)c1 ZINC000179607859 1020412988 /nfs/dbraw/zinc/41/29/88/1020412988.db2.gz HECZDNAZPUWFHN-UHFFFAOYSA-N 0 1 320.801 3.629 20 30 DHEDMN CC(C)Oc1cccc(CN=Nc2cnnc3ccccc23)c1 ZINC000733748387 1020436923 /nfs/dbraw/zinc/43/69/23/1020436923.db2.gz UYLBXMGKNXKBGC-UHFFFAOYSA-N 0 1 306.369 3.863 20 30 DHEDMN CC[C@@H](NCC#Cc1ccccc1Cl)c1c(C)nn(C)c1C ZINC000347995023 1020472390 /nfs/dbraw/zinc/47/23/90/1020472390.db2.gz FHTCHYKKPNEXGZ-QGZVFWFLSA-N 0 1 315.848 3.783 20 30 DHEDMN C=CC[C@@H](C(=O)N1CCC[C@@H](c2cc(C)[nH]n2)C1)c1ccccc1 ZINC000282636042 1020477988 /nfs/dbraw/zinc/47/79/88/1020477988.db2.gz GFGGRHUANFZKOM-QZTJIDSGSA-N 0 1 323.440 3.784 20 30 DHEDMN CSc1ccc(C)c(C(=O)Nc2nc(-c3ccco3)n[nH]2)c1 ZINC000073974636 1020515664 /nfs/dbraw/zinc/51/56/64/1020515664.db2.gz FUJWKVAEKCPFNR-UHFFFAOYSA-N 0 1 314.370 3.731 20 30 DHEDMN C=CCN1CC[C@H](N(CC)[C@@H](C)c2cc3ccccc3o2)C1=O ZINC000337146349 1032907524 /nfs/dbraw/zinc/90/75/24/1032907524.db2.gz YGTFDBPHAGIXTH-HOCLYGCPSA-N 0 1 312.413 3.603 20 30 DHEDMN C#CCCOc1ccc(C=NNc2cc(F)c(F)cc2F)cc1 ZINC000734302033 1020584640 /nfs/dbraw/zinc/58/46/40/1020584640.db2.gz WJWXECYIVHMUCZ-UHFFFAOYSA-N 0 1 318.298 3.952 20 30 DHEDMN COc1ccc(C(C)=NNc2cc(F)c(F)cc2F)c(OC)c1 ZINC000734302120 1020584772 /nfs/dbraw/zinc/58/47/72/1020584772.db2.gz YWXQYQFLBHPTIB-UHFFFAOYSA-N 0 1 324.302 3.957 20 30 DHEDMN Cc1cc(C(C#N)C(=O)C[C@H](C)c2cccc(F)c2)nc(C)n1 ZINC000734963791 1020677233 /nfs/dbraw/zinc/67/72/33/1020677233.db2.gz NBCWKYYXDGRHLT-ZBEGNZNMSA-N 0 1 311.360 3.603 20 30 DHEDMN CCCCCCCCN(C)Cc1nc(-c2cccnc2)no1 ZINC000154357748 1020695414 /nfs/dbraw/zinc/69/54/14/1020695414.db2.gz LXDNLRZIWZHVEA-UHFFFAOYSA-N 0 1 302.422 3.924 20 30 DHEDMN CCc1nc[nH]c1C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000826705421 1020725762 /nfs/dbraw/zinc/72/57/62/1020725762.db2.gz KIXDLBIFOWDNPN-LLVKDONJSA-N 0 1 314.414 3.619 20 30 DHEDMN COc1cc2ccccc2cc1C(=O)C(C#N)c1ccccn1 ZINC000612893419 1020741401 /nfs/dbraw/zinc/74/14/01/1020741401.db2.gz GBRIADFCEKKRMN-INIZCTEOSA-N 0 1 302.333 3.733 20 30 DHEDMN Fc1cccc(F)c1N=NC1CCN(Cc2ccccc2)C1 ZINC000735614789 1020752168 /nfs/dbraw/zinc/75/21/68/1020752168.db2.gz BMORLDXZWHCPME-UHFFFAOYSA-N 0 1 301.340 3.639 20 30 DHEDMN CC(C)c1nn(C)c(Cl)c1C=NNc1c(F)cccc1F ZINC000735614566 1020752505 /nfs/dbraw/zinc/75/25/05/1020752505.db2.gz ASCCPUJPNVDXAN-UHFFFAOYSA-N 0 1 312.751 3.921 20 30 DHEDMN Cc1cccc2nc([C@@H](C#N)C(=O)Cc3ccccc3C)[nH]c21 ZINC000735788535 1020767545 /nfs/dbraw/zinc/76/75/45/1020767545.db2.gz DYIRJNDBPNYZBA-HNNXBMFYSA-N 0 1 303.365 3.599 20 30 DHEDMN CCc1ccc(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)s1 ZINC000735790639 1020768288 /nfs/dbraw/zinc/76/82/88/1020768288.db2.gz OGSFQHBSBYYRDZ-LBPRGKRZSA-N 0 1 309.394 3.985 20 30 DHEDMN C=CC[C@H]1CCCN(Cc2nc(-c3ccc(OC)cc3)no2)C1 ZINC000661378568 1020791257 /nfs/dbraw/zinc/79/12/57/1020791257.db2.gz JDKACTNXCHJANV-AWEZNQCLSA-N 0 1 313.401 3.533 20 30 DHEDMN CN(Cc1ccc(OC(F)F)cc1)Cc1ccc(F)c(C#N)c1 ZINC000160521910 1020876082 /nfs/dbraw/zinc/87/60/82/1020876082.db2.gz HSJGURZAUIUPQO-UHFFFAOYSA-N 0 1 320.314 3.931 20 30 DHEDMN C[C@@H]1CO[C@H](C(=O)C(C#N)c2nc3cc(Cl)ccc3s2)C1 ZINC000892538568 1020902968 /nfs/dbraw/zinc/90/29/68/1020902968.db2.gz NDFDACSSBLLWPG-XRNSZHNASA-N 0 1 320.801 3.551 20 30 DHEDMN COc1ccc(C=NNc2cccc(C(F)(F)F)n2)cc1F ZINC000739422384 1020908282 /nfs/dbraw/zinc/90/82/82/1020908282.db2.gz YVEBBZFHRMXFTK-UHFFFAOYSA-N 0 1 313.254 3.694 20 30 DHEDMN CCN(CC)c1ccc(CNCC#Cc2ccccc2)cc1F ZINC000740006987 1020923665 /nfs/dbraw/zinc/92/36/65/1020923665.db2.gz PWYGXFFCEQOHIA-UHFFFAOYSA-N 0 1 310.416 3.813 20 30 DHEDMN C[C@@H](NCC(C)(C)CC#N)c1nc2ccc(Cl)cc2n1C ZINC000414162832 1020951159 /nfs/dbraw/zinc/95/11/59/1020951159.db2.gz HUQURAPIBPMWLZ-LLVKDONJSA-N 0 1 304.825 3.817 20 30 DHEDMN CCCC(=O)Nc1cccc(CNCC#Cc2ccccc2)c1 ZINC000892600727 1021066757 /nfs/dbraw/zinc/06/67/57/1021066757.db2.gz VLVMPNODLLSENN-UHFFFAOYSA-N 0 1 306.409 3.567 20 30 DHEDMN CCc1ncc(CN(Cc2ccc(C#N)cc2)CC(C)C)cn1 ZINC000414373316 1021149247 /nfs/dbraw/zinc/14/92/47/1021149247.db2.gz ROPGRRVXUIATHR-UHFFFAOYSA-N 0 1 308.429 3.569 20 30 DHEDMN COCc1cccc(C=NNc2ccc(C(F)(F)F)cn2)c1 ZINC000743422256 1021289554 /nfs/dbraw/zinc/28/95/54/1021289554.db2.gz WRJDWWSNUBDNSL-UHFFFAOYSA-N 0 1 309.291 3.693 20 30 DHEDMN COc1ccc(Cl)cc1C=NNc1nc2ccccc2[nH]1 ZINC000917533493 1021295045 /nfs/dbraw/zinc/29/50/45/1021295045.db2.gz HOTIDFFRLHJEIV-UHFFFAOYSA-N 0 1 300.749 3.671 20 30 DHEDMN CC(=NNc1cc(F)c(F)cc1F)c1ccc2c(c1)COC2 ZINC000743440216 1021298745 /nfs/dbraw/zinc/29/87/45/1021298745.db2.gz DXECPRBQZFMNFX-UHFFFAOYSA-N 0 1 306.287 3.970 20 30 DHEDMN CC(C)(C#N)CCCOC(=O)c1ccc(CN2CCCCC2)o1 ZINC000923832521 1021321241 /nfs/dbraw/zinc/32/12/41/1021321241.db2.gz ZILOJUMFZCDNTQ-UHFFFAOYSA-N 0 1 318.417 3.752 20 30 DHEDMN C#Cc1ccc(CNCc2cc3ccccc3nc2OC)cc1 ZINC001202474494 1021332983 /nfs/dbraw/zinc/33/29/83/1021332983.db2.gz DCWDSFRHUWCXMT-UHFFFAOYSA-N 0 1 302.377 3.515 20 30 DHEDMN CCCCCCNC(=O)C(C#N)C(=O)C1CCCCCCC1 ZINC000744021682 1021403078 /nfs/dbraw/zinc/40/30/78/1021403078.db2.gz CENHFTMFWDOQBU-INIZCTEOSA-N 0 1 306.450 3.752 20 30 DHEDMN COc1ccc(-c2csc(C(C#N)C(=O)C=CC3CC3)n2)cc1 ZINC000744061432 1021419669 /nfs/dbraw/zinc/41/96/69/1021419669.db2.gz KVXMCDXIEJQHDC-NOKKCYSASA-N 0 1 324.405 3.961 20 30 DHEDMN COc1ccc(-c2csc([C@@H](C#N)C(=O)C=CC3CC3)n2)cc1 ZINC000744061432 1021419673 /nfs/dbraw/zinc/41/96/73/1021419673.db2.gz KVXMCDXIEJQHDC-NOKKCYSASA-N 0 1 324.405 3.961 20 30 DHEDMN CC[C@@H](NCc1cccnc1OC(C)C)c1ccc(C#N)cc1 ZINC000618565303 1021426659 /nfs/dbraw/zinc/42/66/59/1021426659.db2.gz OZFDREAXIDIVBS-GOSISDBHSA-N 0 1 309.413 3.981 20 30 DHEDMN C[C@H](Sc1nc(-c2ccccn2)n[nH]1)c1cccc(C#N)c1 ZINC000189848992 1021448883 /nfs/dbraw/zinc/44/88/83/1021448883.db2.gz TWTYXLLZUMGOOH-NSHDSACASA-N 0 1 307.382 3.592 20 30 DHEDMN N#Cc1ccc(CN(CCC(=O)c2ccccc2)C2CC2)cc1 ZINC000182103084 1021477688 /nfs/dbraw/zinc/47/76/88/1021477688.db2.gz MURIVAZPWOKUTB-UHFFFAOYSA-N 0 1 304.393 3.796 20 30 DHEDMN CCn1nc(CN[C@@H]2CCc3cc(C#N)ccc32)c2ccccc21 ZINC000618742708 1021501220 /nfs/dbraw/zinc/50/12/20/1021501220.db2.gz PWDZVEYESPSHIQ-GOSISDBHSA-N 0 1 316.408 3.705 20 30 DHEDMN CCN(CCC#N)[C@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172092457 1032986420 /nfs/dbraw/zinc/98/64/20/1032986420.db2.gz CTDZMXMRUUEOEA-ZSHCYNCHSA-N 0 1 321.465 3.543 20 30 DHEDMN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1nc2ccccc2n1C ZINC000618803031 1021531673 /nfs/dbraw/zinc/53/16/73/1021531673.db2.gz GQUXJMYDXIWHSE-DYVFJYSZSA-N 0 1 316.408 3.783 20 30 DHEDMN Cc1ccc(CON=C(N)c2ccc(N3CCCCC3)cc2)cc1 ZINC000744447918 1021550389 /nfs/dbraw/zinc/55/03/89/1021550389.db2.gz MSWCGXXSQGJURB-UHFFFAOYSA-N 0 1 323.440 3.822 20 30 DHEDMN Cn1c2ccccc2nc1C(C#N)C(=O)C(C)(C)CC(F)(F)F ZINC000850738672 1021631853 /nfs/dbraw/zinc/63/18/53/1021631853.db2.gz OUSRRHVPDVBCJR-SNVBAGLBSA-N 0 1 323.318 3.728 20 30 DHEDMN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000850759453 1021641387 /nfs/dbraw/zinc/64/13/87/1021641387.db2.gz JDMTWIHUGNYQKJ-HZMVEIRTSA-N 0 1 324.424 3.505 20 30 DHEDMN CCc1ccc(NC(=O)C(C#N)C(=O)C2CCC3(CC3)CC2)cc1 ZINC000850759635 1021642181 /nfs/dbraw/zinc/64/21/81/1021642181.db2.gz LKDRLNWCHMVVAO-QGZVFWFLSA-N 0 1 324.424 3.867 20 30 DHEDMN Cc1cc(C(C#N)C(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)nc(C)n1 ZINC000850756294 1021642482 /nfs/dbraw/zinc/64/24/82/1021642482.db2.gz QZHWPULJBADNOO-RCCFBDPRSA-N 0 1 319.408 3.690 20 30 DHEDMN Cc1cc(CNCc2ccc(C#N)cc2F)c2c(n1)CCCC2 ZINC000892910943 1021678267 /nfs/dbraw/zinc/67/82/67/1021678267.db2.gz GHBMKORNNKQNKJ-UHFFFAOYSA-N 0 1 309.388 3.569 20 30 DHEDMN N#C[C@@H](C(=O)CC1(C#N)CCCCC1)c1cnc2ccccc2n1 ZINC000850985749 1021704615 /nfs/dbraw/zinc/70/46/15/1021704615.db2.gz LSQOCTYURPAYCI-CQSZACIVSA-N 0 1 318.380 3.670 20 30 DHEDMN C[C@@H]1CC[C@@H](C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000776516917 1021742747 /nfs/dbraw/zinc/74/27/47/1021742747.db2.gz OQSHFLOWLCDFNL-CKYFFXLPSA-N 0 1 322.767 3.563 20 30 DHEDMN Cc1csc([C@@H](C#N)C(=O)c2ccccc2OC2CCC2)n1 ZINC000118598834 1021758687 /nfs/dbraw/zinc/75/86/87/1021758687.db2.gz FNODEBKCGRKKIW-AWEZNQCLSA-N 0 1 312.394 3.873 20 30 DHEDMN Cc1csc(C(C#N)C(=O)c2ccccc2OC2CCC2)n1 ZINC000118598834 1021758702 /nfs/dbraw/zinc/75/87/02/1021758702.db2.gz FNODEBKCGRKKIW-AWEZNQCLSA-N 0 1 312.394 3.873 20 30 DHEDMN C=C(C)CNCc1c(C)nn(Cc2ccc(F)cc2)c1Cl ZINC000119634917 1021802776 /nfs/dbraw/zinc/80/27/76/1021802776.db2.gz DDGUBUJLXSPUIZ-UHFFFAOYSA-N 0 1 307.800 3.698 20 30 DHEDMN COc1cc(CN[C@@H]2CSCc3ccccc32)ccc1C#N ZINC000619652547 1021819389 /nfs/dbraw/zinc/81/93/89/1021819389.db2.gz HBMBNDWFIQAIKJ-QGZVFWFLSA-N 0 1 310.422 3.645 20 30 DHEDMN COc1cc(C)c(CNCc2ccc(C#N)c(Cl)c2)c(C)n1 ZINC000619748534 1021886480 /nfs/dbraw/zinc/88/64/80/1021886480.db2.gz HLWXLALTTUQKSS-UHFFFAOYSA-N 0 1 315.804 3.522 20 30 DHEDMN CC(N=Nc1ccc(F)cc1F)c1ccc([S@](C)=O)cc1 ZINC000746367521 1022046961 /nfs/dbraw/zinc/04/69/61/1022046961.db2.gz MVRMXPLTYLNFFX-NRFANRHFSA-N 0 1 308.353 3.538 20 30 DHEDMN C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000852102467 1022074313 /nfs/dbraw/zinc/07/43/13/1022074313.db2.gz XXVGWBQRBLZRBG-BMIGLBTASA-N 0 1 313.228 3.712 20 30 DHEDMN C#CCOc1ccc([C@H](C)NCc2nc3cc(C)ccc3[nH]2)cc1 ZINC000766376765 1022087980 /nfs/dbraw/zinc/08/79/80/1022087980.db2.gz CILBOBCWHBPZSN-HNNXBMFYSA-N 0 1 319.408 3.734 20 30 DHEDMN C#CCOc1ccc([C@H](C)NCc2nc3ccc(C)cc3[nH]2)cc1 ZINC000766376765 1022087997 /nfs/dbraw/zinc/08/79/97/1022087997.db2.gz CILBOBCWHBPZSN-HNNXBMFYSA-N 0 1 319.408 3.734 20 30 DHEDMN Clc1ccc2c(c1Cl)OCCC2N=Nc1ccccn1 ZINC000920365689 1022109059 /nfs/dbraw/zinc/10/90/59/1022109059.db2.gz ZRGQVKQYLWWZMA-UHFFFAOYSA-N 0 1 308.168 3.987 20 30 DHEDMN C[C@H](NN=Cc1ccc(N(C)CCC#N)cc1)c1ccccc1 ZINC000920385617 1022112267 /nfs/dbraw/zinc/11/22/67/1022112267.db2.gz DUPMBPVHURMZQF-INIZCTEOSA-N 0 1 306.413 3.721 20 30 DHEDMN Cc1occc1C(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000041558135 1022173052 /nfs/dbraw/zinc/17/30/52/1022173052.db2.gz CWJQKTWVBLWZDH-LLVKDONJSA-N 0 1 315.279 3.823 20 30 DHEDMN Cc1occc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F ZINC000041558135 1022173057 /nfs/dbraw/zinc/17/30/57/1022173057.db2.gz CWJQKTWVBLWZDH-LLVKDONJSA-N 0 1 315.279 3.823 20 30 DHEDMN CCCCCCNC(=O)C(C#N)C(=O)C[C@H]1CCCC[C@@H]1C ZINC000920790272 1022175039 /nfs/dbraw/zinc/17/50/39/1022175039.db2.gz UUBLJTWHGPKOHG-ARFHVFGLSA-N 0 1 306.450 3.608 20 30 DHEDMN COc1cc(C#N)ccc1CN[C@H](C)c1ccc2c(c1)CCCO2 ZINC000852782516 1022176900 /nfs/dbraw/zinc/17/69/00/1022176900.db2.gz UZYGRTDOTUWTKL-CQSZACIVSA-N 0 1 322.408 3.743 20 30 DHEDMN CN(CCOc1ccccc1C#N)Cc1ccc(Cl)c(F)c1 ZINC001168919099 1022185214 /nfs/dbraw/zinc/18/52/14/1022185214.db2.gz UWTVEJIESDGXEX-UHFFFAOYSA-N 0 1 318.779 3.862 20 30 DHEDMN N#Cc1c(CN2CCC[C@H](c3nccs3)C2)cn2ccccc12 ZINC000195442409 1022187631 /nfs/dbraw/zinc/18/76/31/1022187631.db2.gz QFTQGROTGUYLBI-AWEZNQCLSA-N 0 1 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ZINC000130539427 1024178510 /nfs/dbraw/zinc/17/85/10/1024178510.db2.gz QBLIJKSKJONPGG-AWEZNQCLSA-N 0 1 310.372 3.895 20 30 DHEDMN CCCCc1ccc(NC(=O)C(C#N)C(=O)CC(C)C)cc1 ZINC000128575199 1024217275 /nfs/dbraw/zinc/21/72/75/1024217275.db2.gz HRDWPIDXUFZMPG-MRXNPFEDSA-N 0 1 300.402 3.723 20 30 DHEDMN Cc1cccnc1N=NCc1ccc(Br)c(F)c1 ZINC000790185855 1024236279 /nfs/dbraw/zinc/23/62/79/1024236279.db2.gz JSCOOMUEFPCDCV-UHFFFAOYSA-N 0 1 308.154 3.738 20 30 DHEDMN C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCCc2n[nH]nc21 ZINC000613900449 1024240200 /nfs/dbraw/zinc/24/02/00/1024240200.db2.gz GABZMYFWCZUEHP-HNNXBMFYSA-N 0 1 324.428 3.715 20 30 DHEDMN C#CCCCCCC(=O)Nc1cccc2c1OCC[C@H]2N(C)C ZINC000790238624 1024249079 /nfs/dbraw/zinc/24/90/79/1024249079.db2.gz CMFQENASRIYCQO-QGZVFWFLSA-N 0 1 314.429 3.594 20 30 DHEDMN C#Cc1ccc(CNCc2cc(OCC)c(OC)cc2F)cc1 ZINC000883132074 1024254594 /nfs/dbraw/zinc/25/45/94/1024254594.db2.gz FEINXJNPCMCXQM-UHFFFAOYSA-N 0 1 313.372 3.504 20 30 DHEDMN Clc1ccc2[nH]c3c(c2c1)C(=NNc1ccncc1)CCC3 ZINC000790298507 1024275178 /nfs/dbraw/zinc/27/51/78/1024275178.db2.gz XZWOUWKAROSHBC-UHFFFAOYSA-N 0 1 310.788 3.791 20 30 DHEDMN CC(=NNc1nccn1C)c1cccc(OCc2ccccc2)c1 ZINC000790306249 1024280575 /nfs/dbraw/zinc/28/05/75/1024280575.db2.gz UNXBKRCUHBXINH-UHFFFAOYSA-N 0 1 320.396 3.835 20 30 DHEDMN O=[N+]([O-])c1c(F)cccc1NN=Cc1cc(F)c(F)c(F)c1 ZINC000790310650 1024281872 /nfs/dbraw/zinc/28/18/72/1024281872.db2.gz JIDOHFITUDBVQQ-UHFFFAOYSA-N 0 1 313.210 3.597 20 30 DHEDMN COc1cc2c(cc1F)CC[C@H]2NCc1ccc(C#N)cc1F ZINC000337845680 1033199696 /nfs/dbraw/zinc/19/96/96/1033199696.db2.gz HRGWXSLPPIHNHZ-QGZVFWFLSA-N 0 1 314.335 3.622 20 30 DHEDMN N#Cc1cccc(C2(NCc3cccc(OC(F)F)c3)CC2)c1 ZINC000269596752 1024292776 /nfs/dbraw/zinc/29/27/76/1024292776.db2.gz GSFWKUDJNCXEMF-UHFFFAOYSA-N 0 1 314.335 3.939 20 30 DHEDMN CC(C)c1nc(CCNCc2cc(C#N)cnc2Cl)cs1 ZINC000876997156 1033201508 /nfs/dbraw/zinc/20/15/08/1033201508.db2.gz OTBWYGGZLZDYKN-UHFFFAOYSA-N 0 1 320.849 3.519 20 30 DHEDMN CC[C@@H](NCc1cn2cc(C)ccc2n1)c1ccc(C#N)cc1 ZINC000278896853 1024371048 /nfs/dbraw/zinc/37/10/48/1024371048.db2.gz ZAZHAQREPXTKPH-GOSISDBHSA-N 0 1 304.397 3.755 20 30 DHEDMN CC[C@H](NCc1cccc2c1OCCCO2)c1ccc(C#N)cc1 ZINC000278896897 1024372272 /nfs/dbraw/zinc/37/22/72/1024372272.db2.gz ZBLJAOZQWFSADC-SFHVURJKSA-N 0 1 322.408 3.960 20 30 DHEDMN CN(C)c1cc(F)ccc1C(=O)/C=C/c1cc(F)c(O)c(F)c1 ZINC000131869504 1024438548 /nfs/dbraw/zinc/43/85/48/1024438548.db2.gz GUCLTUKXGMPWKV-ZZXKWVIFSA-N 0 1 321.298 3.772 20 30 DHEDMN Cc1cccc(N2CCN(Cc3ccc(CC#N)cc3)CC2)c1C ZINC000057661417 1024485088 /nfs/dbraw/zinc/48/50/88/1024485088.db2.gz BIKTZTKFSDCABV-UHFFFAOYSA-N 0 1 319.452 3.692 20 30 DHEDMN C[C@@]1(NCc2cc(C#N)cnc2Cl)CCCc2ccccc21 ZINC000877037676 1033214931 /nfs/dbraw/zinc/21/49/31/1033214931.db2.gz VCJLGGXUNCVWLC-GOSISDBHSA-N 0 1 311.816 3.948 20 30 DHEDMN CCc1cccc(C)c1NC(=O)CN[C@H](C)c1ccc(C#N)cc1 ZINC000271660950 1024558760 /nfs/dbraw/zinc/55/87/60/1024558760.db2.gz LBMZIWRBCHQKMK-OAHLLOKOSA-N 0 1 321.424 3.718 20 30 DHEDMN CCCCCCCC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000759956618 1024607105 /nfs/dbraw/zinc/60/71/05/1024607105.db2.gz KRXHTAXZROABFV-PKOBYXMFSA-N 0 1 302.462 3.909 20 30 DHEDMN CCCN(Cc1ccc(C#N)cn1)[C@H](C)c1ccccc1OC ZINC000570289582 1024608223 /nfs/dbraw/zinc/60/82/23/1024608223.db2.gz CORDXSLEYNAIDF-OAHLLOKOSA-N 0 1 309.413 3.935 20 30 DHEDMN N#CC(C(=O)Cc1ccccc1F)c1nccc2ccccc21 ZINC000792092529 1024629746 /nfs/dbraw/zinc/62/97/46/1024629746.db2.gz CQHOVJWGCUMZQC-MRXNPFEDSA-N 0 1 304.324 3.793 20 30 DHEDMN N#C[C@H](C(=O)[C@@H]1COc2ccccc21)c1nccc2ccccc21 ZINC000792094961 1024631615 /nfs/dbraw/zinc/63/16/15/1024631615.db2.gz RCYCGINHVSMHJV-DLBZAZTESA-N 0 1 314.344 3.587 20 30 DHEDMN Cc1cccc(C2(O)CCN(CC#Cc3ccccc3)CC2)c1C ZINC000792227934 1024650038 /nfs/dbraw/zinc/65/00/38/1024650038.db2.gz FHCAQKUMDSVKAJ-UHFFFAOYSA-N 0 1 319.448 3.639 20 30 DHEDMN CCc1ccc(C(=O)/C=C\c2cc(O)ccc2[N+](=O)[O-])s1 ZINC000772798282 1024679325 /nfs/dbraw/zinc/67/93/25/1024679325.db2.gz UJOBCVBUNQICCH-CLTKARDFSA-N 0 1 303.339 3.820 20 30 DHEDMN N#Cc1ccc(CNc2cc(OCC(F)(F)F)ccn2)s1 ZINC001170208765 1024691353 /nfs/dbraw/zinc/69/13/53/1024691353.db2.gz MQJFXESTJWHAOB-UHFFFAOYSA-N 0 1 313.304 3.568 20 30 DHEDMN Cc1ccc2c(n1)N(CC1CC1)CCN([C@H](C)CCCC#N)C2 ZINC001172500111 1033229526 /nfs/dbraw/zinc/22/95/26/1033229526.db2.gz WWOBCGVNLIICEL-MRXNPFEDSA-N 0 1 312.461 3.504 20 30 DHEDMN C=C[C@H](Nc1ccc(N2CCCCCC2)cc1C)C(=O)OC ZINC000585818813 1024722207 /nfs/dbraw/zinc/72/22/07/1024722207.db2.gz JRNJBHUIIADLAR-INIZCTEOSA-N 0 1 302.418 3.515 20 30 DHEDMN Cc1ccccc1NC(=O)[C@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000127495757 1024729475 /nfs/dbraw/zinc/72/94/75/1024729475.db2.gz XSKCARZKYAHGRT-CABCVRRESA-N 0 1 307.397 3.545 20 30 DHEDMN Cc1cc(F)ccc1C(=O)/C=C\c1cc(O)ccc1[N+](=O)[O-] ZINC000772808636 1024736773 /nfs/dbraw/zinc/73/67/73/1024736773.db2.gz UYKBWUPGNBDTOJ-UQCOIBPSSA-N 0 1 301.273 3.644 20 30 DHEDMN O=[N+]([O-])c1ccccc1N=NCc1cnc(C2CCC2)s1 ZINC000760217420 1024744860 /nfs/dbraw/zinc/74/48/60/1024744860.db2.gz VHSKYYXDIMIGKT-UHFFFAOYSA-N 0 1 302.359 3.765 20 30 DHEDMN C#CCOc1ccc([C@H](C)N[C@H](C)c2ccncc2OC)cc1 ZINC000188767243 1024758051 /nfs/dbraw/zinc/75/80/51/1024758051.db2.gz DWMOETOTHJNQCO-LSDHHAIUSA-N 0 1 310.397 3.514 20 30 DHEDMN Cc1ccc(C)c(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000127524738 1024766145 /nfs/dbraw/zinc/76/61/45/1024766145.db2.gz PJSHFOBHHLMRCE-JKSUJKDBSA-N 0 1 321.424 3.853 20 30 DHEDMN CCN(C(=O)[C@H](C)N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000127533852 1024777222 /nfs/dbraw/zinc/77/72/22/1024777222.db2.gz CVVDSSUGASBUFK-HOTGVXAUSA-N 0 1 321.424 3.650 20 30 DHEDMN C[C@@H](NCc1cccc(C#N)n1)c1cccc(OC(F)(F)F)c1 ZINC000877093899 1033238576 /nfs/dbraw/zinc/23/85/76/1033238576.db2.gz MMKLEGIOSXUTGP-LLVKDONJSA-N 0 1 321.302 3.703 20 30 DHEDMN CC(C)OCC(=O)Nc1nc(-c2cccc3ccccc32)n[nH]1 ZINC000063744743 1024784324 /nfs/dbraw/zinc/78/43/24/1024784324.db2.gz QKESNFTUXSLJFP-UHFFFAOYSA-N 0 1 310.357 3.638 20 30 DHEDMN Cn1c2ccccc2nc1NN=Cc1cc(F)cc2cccnc12 ZINC000760244459 1024804630 /nfs/dbraw/zinc/80/46/30/1024804630.db2.gz YJWJCLBXQXLNSL-UHFFFAOYSA-N 0 1 319.343 3.707 20 30 DHEDMN N#CCOc1ccc(CN2CCC(CC(F)(F)F)CC2)cc1 ZINC000792932591 1024848775 /nfs/dbraw/zinc/84/87/75/1024848775.db2.gz CBXJHMCNUUVLMH-UHFFFAOYSA-N 0 1 312.335 3.753 20 30 DHEDMN Cc1cc(C)cc(NC(=O)[C@H](C)N[C@H](C)c2ccc(C#N)cc2)c1 ZINC000127583294 1024899874 /nfs/dbraw/zinc/89/98/74/1024899874.db2.gz SGWGDCTUBYNNFQ-CVEARBPZSA-N 0 1 321.424 3.853 20 30 DHEDMN COc1cc(C)c(C=NNc2cccc(Cl)n2)cc1OC ZINC000793164098 1024909627 /nfs/dbraw/zinc/90/96/27/1024909627.db2.gz RZSXZIJSEGKBPC-UHFFFAOYSA-N 0 1 305.765 3.507 20 30 DHEDMN Clc1cccc([N-][NH+]=Cc2ccc(N3CCCCC3)o2)n1 ZINC000793164213 1024910505 /nfs/dbraw/zinc/91/05/05/1024910505.db2.gz TXKIBTDWYZJDSJ-UHFFFAOYSA-N 0 1 304.781 3.764 20 30 DHEDMN CCc1cccc2c1OCCC2=NNc1cccc(Cl)n1 ZINC000793174881 1024921597 /nfs/dbraw/zinc/92/15/97/1024921597.db2.gz NOGQFBRQIORWKM-UHFFFAOYSA-N 0 1 301.777 3.896 20 30 DHEDMN COc1cc(C=NNc2cccc(Cl)n2)ccc1SC ZINC000793180860 1024925848 /nfs/dbraw/zinc/92/58/48/1024925848.db2.gz CCSYGZIWDCHDAD-UHFFFAOYSA-N 0 1 307.806 3.912 20 30 DHEDMN C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000793231833 1024945435 /nfs/dbraw/zinc/94/54/35/1024945435.db2.gz RBYAPYRGAVWYPP-XUJVJEKNSA-N 0 1 312.335 3.750 20 30 DHEDMN CO[C@H](c1ccccc1Cl)[C@@H](C)NCc1ccc(C#N)o1 ZINC000353160981 1024969947 /nfs/dbraw/zinc/96/99/47/1024969947.db2.gz AKCBOCKQNBNZOO-BZNIZROVSA-N 0 1 304.777 3.670 20 30 DHEDMN C[C@H](NCc1ccc(C#N)cc1Cl)c1ccc2n[nH]cc2c1 ZINC000353287052 1025017659 /nfs/dbraw/zinc/01/76/59/1025017659.db2.gz NZFUBVFQZMPLNQ-NSHDSACASA-N 0 1 310.788 3.939 20 30 DHEDMN CC[C@@H](NCc1ccc(C#N)c(OC)c1)c1ccccc1OC ZINC000353629993 1025160449 /nfs/dbraw/zinc/16/04/49/1025160449.db2.gz LLYQFIAWDATIAP-QGZVFWFLSA-N 0 1 310.397 3.816 20 30 DHEDMN COc1cc(CN[C@@H](C)c2cnn(C(C)C)c2C)ccc1C#N ZINC000353625956 1025161978 /nfs/dbraw/zinc/16/19/78/1025161978.db2.gz SISVSPWQJCVPSH-ZDUSSCGKSA-N 0 1 312.417 3.504 20 30 DHEDMN COCC[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(C)o1 ZINC000353681519 1025196564 /nfs/dbraw/zinc/19/65/64/1025196564.db2.gz VZLVLIQPIPYCTL-MSOLQXFVSA-N 0 1 310.397 3.814 20 30 DHEDMN C#C[C@H](NC(=O)c1cccc2nc(C)[nH]c21)c1ccc(Cl)cc1 ZINC000794051302 1025215576 /nfs/dbraw/zinc/21/55/76/1025215576.db2.gz NYRFGICPDGBLHV-HNNXBMFYSA-N 0 1 323.783 3.629 20 30 DHEDMN Cc1cc(C#N)cc(N[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)n1 ZINC000804447725 1025307723 /nfs/dbraw/zinc/30/77/23/1025307723.db2.gz ICXTYVMYNLEFDX-JTQLQIEISA-N 0 1 311.776 3.965 20 30 DHEDMN N#C[C@@H](C(=O)c1ccc(-c2ccc(F)cc2)o1)c1ccccn1 ZINC000041493410 1025405631 /nfs/dbraw/zinc/40/56/31/1025405631.db2.gz WYQBHSVHKNPDMD-CQSZACIVSA-N 0 1 306.296 3.971 20 30 DHEDMN N#CC(C(=O)c1ccc(-c2ccc(F)cc2)o1)c1ccccn1 ZINC000041493410 1025405641 /nfs/dbraw/zinc/40/56/41/1025405641.db2.gz WYQBHSVHKNPDMD-CQSZACIVSA-N 0 1 306.296 3.971 20 30 DHEDMN Cc1ccc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)s1 ZINC000041555619 1025410266 /nfs/dbraw/zinc/41/02/66/1025410266.db2.gz SCYOSIWLPFFDPK-JTQLQIEISA-N 0 1 310.300 3.960 20 30 DHEDMN COc1cc(C)cc(CN[C@H](C)c2cccc(C#N)c2)c1OC ZINC000886005543 1025434171 /nfs/dbraw/zinc/43/41/71/1025434171.db2.gz DHYGAUYDUNTYBB-CQSZACIVSA-N 0 1 310.397 3.735 20 30 DHEDMN COc1ccc(C#N)cc1NCc1cnc(-c2ccccc2)[nH]1 ZINC000354849577 1025522687 /nfs/dbraw/zinc/52/26/87/1025522687.db2.gz JVBKGCFOEKBVLM-UHFFFAOYSA-N 0 1 304.353 3.569 20 30 DHEDMN C=C[C@@H](CC(=O)N1CCCC[C@H]1c1n[nH]c(C)n1)c1ccccc1 ZINC000338160338 1033290128 /nfs/dbraw/zinc/29/01/28/1033290128.db2.gz MJSWTQACBVJHIS-RDJZCZTQSA-N 0 1 324.428 3.527 20 30 DHEDMN CCN(C(=O)c1cc(C(C)C)[nH]n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000056222494 1025555498 /nfs/dbraw/zinc/55/54/98/1025555498.db2.gz UWUUWIHXECZGGS-ZDUSSCGKSA-N 0 1 310.401 3.628 20 30 DHEDMN N#CC1(C[C@H](O)CN2CCC[C@H]2c2ccc(F)cc2F)CCC1 ZINC000886236908 1025567878 /nfs/dbraw/zinc/56/78/78/1025567878.db2.gz RFERQQUUKMKURM-YOEHRIQHSA-N 0 1 320.383 3.547 20 30 DHEDMN N#CC1(C[C@@H](O)CN2CC3(CCCC3)[C@@H]2c2ccco2)CCC1 ZINC000886277670 1025579773 /nfs/dbraw/zinc/57/97/73/1025579773.db2.gz YPOLZVORGHJFQP-WBVHZDCISA-N 0 1 314.429 3.642 20 30 DHEDMN Fc1ccc(OC(F)(F)F)cc1CN1CCC(S)CC1 ZINC001143544941 1025605807 /nfs/dbraw/zinc/60/58/07/1025605807.db2.gz MJORTLYEFCNTEP-UHFFFAOYSA-N 0 1 309.328 3.619 20 30 DHEDMN C#CC1CCN(Cc2cc(OC(F)(F)F)ccc2F)CC1 ZINC001143549929 1025674378 /nfs/dbraw/zinc/67/43/78/1025674378.db2.gz DXYTVXBFORPMNL-UHFFFAOYSA-N 0 1 301.283 3.570 20 30 DHEDMN CC(C)(C)CCCCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000805853255 1025690048 /nfs/dbraw/zinc/69/00/48/1025690048.db2.gz HYKTUIHMRDLUBO-OAHLLOKOSA-N 0 1 300.402 3.940 20 30 DHEDMN N#CCSCCCN(Cc1ccco1)Cc1cccs1 ZINC000074980691 1025831434 /nfs/dbraw/zinc/83/14/34/1025831434.db2.gz WMFTZIAVAKUNFL-UHFFFAOYSA-N 0 1 306.456 3.990 20 30 DHEDMN N#Cc1ccc(C[N@H+]2CCC3(C2)CCOCC3)c(C(F)(F)F)c1 ZINC000356141114 1025964936 /nfs/dbraw/zinc/96/49/36/1025964936.db2.gz VDXHJTODTAMWKE-UHFFFAOYSA-N 0 1 324.346 3.580 20 30 DHEDMN O=C(/C=C/c1cccc(-n2cccn2)c1)c1cc(F)ccc1O ZINC000760266163 1025971610 /nfs/dbraw/zinc/97/16/10/1025971610.db2.gz SIWMSWGIUWNRAP-FNORWQNLSA-N 0 1 308.312 3.613 20 30 DHEDMN C[C@@H](NC(=O)CCCCCC#N)c1nc2ccc(Cl)cc2[nH]1 ZINC000806840183 1025985503 /nfs/dbraw/zinc/98/55/03/1025985503.db2.gz OBDFURZCFOEUSX-LLVKDONJSA-N 0 1 318.808 3.868 20 30 DHEDMN Cc1ccc2c(c1C)OC[C@H]2NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000729685545 1026023773 /nfs/dbraw/zinc/02/37/73/1026023773.db2.gz HBTLEURBDWAABR-IFXJQAMLSA-N 0 1 322.408 3.818 20 30 DHEDMN C[C@H]1CCN(Cc2ccc(C#N)cc2Br)[C@@H](C)C1 ZINC001137638193 1026060640 /nfs/dbraw/zinc/06/06/40/1026060640.db2.gz VURQOXHQYPWXHG-RYUDHWBXSA-N 0 1 307.235 3.941 20 30 DHEDMN C=CCOc1cccc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000356530926 1026074507 /nfs/dbraw/zinc/07/45/07/1026074507.db2.gz RMSINNGTOLGTRC-RBUKOAKNSA-N 0 1 313.441 3.785 20 30 DHEDMN CC(C)c1nc([C@H]2CCCCN2Cc2ccc(C#N)cc2)n[nH]1 ZINC000289602482 1026094503 /nfs/dbraw/zinc/09/45/03/1026094503.db2.gz 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XQCJAUVRKDULTM-UHFFFAOYSA-N 0 1 306.312 3.736 20 30 DHEDMN COCCOCc1ccc(CN=Nc2cc(C)ccc2F)cc1 ZINC000807976465 1026178840 /nfs/dbraw/zinc/17/88/40/1026178840.db2.gz MDICESCAMJXMDI-UHFFFAOYSA-N 0 1 316.376 3.743 20 30 DHEDMN COc1ccc2c(c1)CCCN(Cc1ccc(OC)c(C#N)c1)C2 ZINC000533079697 1026211373 /nfs/dbraw/zinc/21/13/73/1026211373.db2.gz AEMBQXKAPDGXLD-UHFFFAOYSA-N 0 1 322.408 3.524 20 30 DHEDMN C=CC[C@H](C(=O)Nc1nc2ccc(C#N)cc2[nH]1)c1ccccc1 ZINC001131674814 1026519481 /nfs/dbraw/zinc/51/94/81/1026519481.db2.gz XXTCZSSWYCEGQI-HNNXBMFYSA-N 0 1 316.364 3.733 20 30 DHEDMN C#C[C@@H](NCc1[nH]nc2ccccc21)c1ccc(Cl)cc1F ZINC000809698382 1026586721 /nfs/dbraw/zinc/58/67/21/1026586721.db2.gz CXQPLJGFSIKEHT-OAHLLOKOSA-N 0 1 313.763 3.820 20 30 DHEDMN C=C(C)CN(Cc1ccc(CO)o1)Cc1cc(C)c(C)cc1O ZINC000809701453 1026588780 /nfs/dbraw/zinc/58/87/80/1026588780.db2.gz FVBKYIXHQYNFBE-UHFFFAOYSA-N 0 1 315.413 3.673 20 30 DHEDMN C#C[C@H](NCc1nc2ccc(Br)cc2s1)C(C)C ZINC000809685699 1026592558 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CN(C(=O)c1cc(Cl)c2ccccc2c1O)C1(C#N)CCC1 ZINC000094054653 1015004171 /nfs/dbraw/zinc/00/41/71/1015004171.db2.gz JGMFAKYFBSVELN-UHFFFAOYSA-N 0 1 314.772 3.717 20 30 DHEDMN C[C@H](CC(C)(C)C#N)N[C@H](CO)c1cccc(Cl)c1Cl ZINC000895449526 1015156758 /nfs/dbraw/zinc/15/67/58/1015156758.db2.gz QJUWNSCRIXPJJW-ZWNOBZJWSA-N 0 1 315.244 3.945 20 30 DHEDMN C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000276446200 1015174608 /nfs/dbraw/zinc/17/46/08/1015174608.db2.gz PBKTXFKTADHDHZ-NSHDSACASA-N 0 1 300.324 3.540 20 30 DHEDMN C=CCCN(C)[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000276446200 1015174614 /nfs/dbraw/zinc/17/46/14/1015174614.db2.gz PBKTXFKTADHDHZ-NSHDSACASA-N 0 1 300.324 3.540 20 30 DHEDMN C=CCCN(C)Cc1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000276476469 1015201909 /nfs/dbraw/zinc/20/19/09/1015201909.db2.gz SHQJIAUMEVOFKY-UHFFFAOYSA-N 0 1 318.442 3.835 20 30 DHEDMN FC(F)(F)c1ccc(C#CCNC2([C@@H]3CCCCO3)CC2)cc1 ZINC000933372107 1015219460 /nfs/dbraw/zinc/21/94/60/1015219460.db2.gz YQRBBWXCADPZFM-INIZCTEOSA-N 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ZINC000341684222 1015667237 /nfs/dbraw/zinc/66/72/37/1015667237.db2.gz BQBBWFVDYFKAQQ-UHFFFAOYSA-N 0 1 305.381 3.553 20 30 DHEDMN CC(C)CC[N@H+](CCC#N)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC001591245280 992134892 /nfs/dbraw/zinc/13/48/92/992134892.db2.gz KZVHSNQJCUYFNO-UHFFFAOYSA-N 0 1 308.809 3.800 20 30 DHEDMN CC(C)CC[N@@H+](CCC#N)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC001591245280 992134894 /nfs/dbraw/zinc/13/48/94/992134894.db2.gz KZVHSNQJCUYFNO-UHFFFAOYSA-N 0 1 308.809 3.800 20 30 DHEDMN COc1cc(C)ccc1[C@H](C)NCc1ccc(OCC#N)cc1 ZINC000772957534 1032123543 /nfs/dbraw/zinc/12/35/43/1032123543.db2.gz FLWAZEOFLHPOBL-HNNXBMFYSA-N 0 1 310.397 3.757 20 30 DHEDMN O=C(N[C@H](Cc1nc[nH]n1)c1ccccc1)[C@H]1CC12CCCC2 ZINC000329364579 1015692584 /nfs/dbraw/zinc/69/25/84/1015692584.db2.gz GBCIPWQLMRDWPM-HUUCEWRRSA-N 0 1 310.401 3.625 20 30 DHEDMN CC(C)C[N@@H+](Cc1cccc(C(=O)[O-])c1C#N)CC(C)(C)C ZINC001591343790 992326157 /nfs/dbraw/zinc/32/61/57/992326157.db2.gz FAXDZNNWADUCKH-UHFFFAOYSA-N 0 1 302.418 3.761 20 30 DHEDMN 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C[C@@H](NCC(C)(C)CC#N)c1cc(Br)ncc1F ZINC000840787837 1017004030 /nfs/dbraw/zinc/00/40/30/1017004030.db2.gz QQNMCDUFDJESSQ-SECBINFHSA-N 0 1 314.202 3.574 20 30 DHEDMN C[C@H](C#N)CNC(Cc1ccccc1F)Cc1ccccc1F ZINC000133034205 1017015172 /nfs/dbraw/zinc/01/51/72/1017015172.db2.gz WZVIKFIBOACKPU-CQSZACIVSA-N 0 1 314.379 3.868 20 30 DHEDMN C#CCN(Cc1cc(=O)oc2cc(C)c(C(C)C)cc12)C1CC1 ZINC000763950024 1017038330 /nfs/dbraw/zinc/03/83/30/1017038330.db2.gz IBONPMPQLJFENX-UHFFFAOYSA-N 0 1 309.409 3.822 20 30 DHEDMN Cc1cc(C)c2ncc(C#N)c(NCc3n[nH]c(C(C)C)n3)c2c1 ZINC000295032425 1032250486 /nfs/dbraw/zinc/25/04/86/1032250486.db2.gz VVDVXNQKIJGONS-UHFFFAOYSA-N 0 1 320.400 3.577 20 30 DHEDMN COC[C@@H](NC1CC(C#N)(c2ccccc2)C1)c1ccccc1 ZINC000127914726 1032323497 /nfs/dbraw/zinc/32/34/97/1032323497.db2.gz UCCFQIHWIIRAJX-IOJLRTSASA-N 0 1 306.409 3.588 20 30 DHEDMN Cc1ccc(-c2n[nH]c(SCCCSCC#N)n2)cc1 ZINC000075075653 1017277995 /nfs/dbraw/zinc/27/79/95/1017277995.db2.gz NMATVEBGELQWEZ-UHFFFAOYSA-N 0 1 304.444 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ZINC000347578498 1019721752 /nfs/dbraw/zinc/72/17/52/1019721752.db2.gz IBNDYDSGXSBSLB-UPJWGTAASA-N 0 1 319.836 3.517 20 30 DHEDMN C[C@@H]1C[C@@H](CC(=O)[C@H](C#N)C(=O)NC2CCCC2)CC(C)(C)C1 ZINC000727629313 1019735302 /nfs/dbraw/zinc/73/53/02/1019735302.db2.gz VWNBQIBPRDCGAL-YCPHGPKFSA-N 0 1 318.461 3.607 20 30 DHEDMN CCCCCNC(=O)C(C#N)C(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000727627805 1019736189 /nfs/dbraw/zinc/73/61/89/1019736189.db2.gz KWDUDKOSELQHON-HRCADAONSA-N 0 1 320.477 3.854 20 30 DHEDMN C=C(Cl)CN(C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000363531893 1019736429 /nfs/dbraw/zinc/73/64/29/1019736429.db2.gz BJJXOTXQMOEHBL-UHFFFAOYSA-N 0 1 322.884 3.562 20 30 DHEDMN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccnn1C1CCC1 ZINC000922191374 1019819976 /nfs/dbraw/zinc/81/99/76/1019819976.db2.gz UOZHBLLKXWRJPT-IBGZPJMESA-N 0 1 306.413 3.647 20 30 DHEDMN C=CCSc1ccccc1NC(=O)CN1CCCC1(C)C ZINC000477490191 1032854926 /nfs/dbraw/zinc/85/49/26/1032854926.db2.gz LMJOSVDMKJFNNK-UHFFFAOYSA-N 0 1 304.459 3.778 20 30 DHEDMN C=C(C)CN(Cc1ccc(CO)o1)Cc1ccc2cnccc2c1 ZINC000685442370 1019822694 /nfs/dbraw/zinc/82/26/94/1019822694.db2.gz UZYIMOYSHWPNBW-UHFFFAOYSA-N 0 1 322.408 3.898 20 30 DHEDMN COc1ccc(CN(C)Cc2ccc(C#N)cc2)cc1Cl ZINC000179187661 1019822817 /nfs/dbraw/zinc/82/28/17/1019822817.db2.gz DESQMDIWXNOOPX-UHFFFAOYSA-N 0 1 300.789 3.852 20 30 DHEDMN CCOc1ccccc1CN(C)Cc1ccc(OC)c(C#N)c1 ZINC000179198972 1019835570 /nfs/dbraw/zinc/83/55/70/1019835570.db2.gz VWTKRXQCRYSTKP-UHFFFAOYSA-N 0 1 310.397 3.598 20 30 DHEDMN CC(C)(NCc1cc(C#N)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000080346924 1019858684 /nfs/dbraw/zinc/85/86/84/1019858684.db2.gz OWFXCGVOIXNKSA-UHFFFAOYSA-N 0 1 301.371 3.553 20 30 DHEDMN CC(=NN=c1[nH]c2ccccc2[nH]1)c1cc(F)c(F)c(F)c1 ZINC000730429930 1019986873 /nfs/dbraw/zinc/98/68/73/1019986873.db2.gz LOQZJOIAMRWHAV-UHFFFAOYSA-N 0 1 304.275 3.816 20 30 DHEDMN COc1cccc2c1OCCC[C@H]2NCc1csc(C#N)c1 ZINC000922334218 1020015054 /nfs/dbraw/zinc/01/50/54/1020015054.db2.gz GKRPDLMIMOTMLU-OAHLLOKOSA-N 0 1 314.410 3.632 20 30 DHEDMN C=C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 ZINC000264177533 1032869640 /nfs/dbraw/zinc/86/96/40/1032869640.db2.gz NFHILBJMBKLTPF-UHFFFAOYSA-N 0 1 301.777 3.522 20 30 DHEDMN CCc1ccc(C=NN=c2[nH]c3cc(F)c(F)cc3[nH]2)s1 ZINC000731152030 1020074722 /nfs/dbraw/zinc/07/47/22/1020074722.db2.gz VBNPXODCMCASES-UHFFFAOYSA-N 0 1 306.341 3.911 20 30 DHEDMN CCc1ccc(C=N[N-]c2[nH]c3cc(F)c(F)cc3[nH+]2)s1 ZINC000731152030 1020074730 /nfs/dbraw/zinc/07/47/30/1020074730.db2.gz VBNPXODCMCASES-UHFFFAOYSA-N 0 1 306.341 3.911 20 30 DHEDMN N#Cc1csc(CN(Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000092435973 1020091572 /nfs/dbraw/zinc/09/15/72/1020091572.db2.gz FFWRUVNBIFJZIG-KRWDZBQOSA-N 0 1 312.438 3.801 20 30 DHEDMN C#Cc1cccc(N(C)C(=O)[C@H](c2ccccc2)N(CC)CC)c1 ZINC000731474960 1020107886 /nfs/dbraw/zinc/10/78/86/1020107886.db2.gz HYYXXULRUQVQCE-FQEVSTJZSA-N 0 1 320.436 3.714 20 30 DHEDMN CCN(Cc1cc(C#N)ccc1OC)[C@H](C)c1cccc(O)c1 ZINC000154601890 1020130633 /nfs/dbraw/zinc/13/06/33/1020130633.db2.gz 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C=C(C)CN(CC)C(=O)CN(Cc1ccc(C)c(C)c1)C1CC1 ZINC000303813397 1020604669 /nfs/dbraw/zinc/60/46/69/1020604669.db2.gz IQWXFERAJLBRJU-UHFFFAOYSA-N 0 1 314.473 3.692 20 30 DHEDMN Cc1ccc(F)c(C=NN=c2[nH]c3cc(F)c(F)cc3[nH]2)c1 ZINC000734978718 1020683132 /nfs/dbraw/zinc/68/31/32/1020683132.db2.gz TXZOIPSJPRAENQ-UHFFFAOYSA-N 0 1 304.275 3.735 20 30 DHEDMN CN(CCC#N)c1ccc(CN[C@@H]2CSc3ccccc32)cc1 ZINC000735508874 1020742142 /nfs/dbraw/zinc/74/21/42/1020742142.db2.gz POGVDJYBMWYPFR-GOSISDBHSA-N 0 1 323.465 3.973 20 30 DHEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@@H](C)Cc3ccccc3)[nH]c21 ZINC000735790724 1020767657 /nfs/dbraw/zinc/76/76/57/1020767657.db2.gz PGCZTTOQEMFXNX-GOEBONIOSA-N 0 1 317.392 3.926 20 30 DHEDMN Cc1cccc2nc([C@@H](C#N)C(=O)CSCCC(C)C)[nH]c21 ZINC000735787408 1020767995 /nfs/dbraw/zinc/76/79/95/1020767995.db2.gz CCWHDXKMXNHFEB-ZDUSSCGKSA-N 0 1 315.442 3.827 20 30 DHEDMN Cc1cccc2nc([C@H](C#N)C(=O)CCc3ccccc3F)[nH]c21 ZINC000735793589 1020769545 /nfs/dbraw/zinc/76/95/45/1020769545.db2.gz 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C=CCN(CC(=O)N(C)[C@H](C)c1cc2ccccc2o1)C(C)C ZINC000917168096 1021205596 /nfs/dbraw/zinc/20/55/96/1021205596.db2.gz MFCTVZIBWFSESW-OAHLLOKOSA-N 0 1 314.429 3.849 20 30 DHEDMN C=CCN(CC(=O)N(CC)[C@@H](C)c1ccc(F)cc1)C(C)C ZINC000917168688 1021206549 /nfs/dbraw/zinc/20/65/49/1021206549.db2.gz WLVVGPPQVWYJNL-HNNXBMFYSA-N 0 1 306.425 3.632 20 30 DHEDMN C[C@H](NCc1cccc(N2CCCC2=O)c1)c1cccc(C#N)c1 ZINC000181497960 1021208043 /nfs/dbraw/zinc/20/80/43/1021208043.db2.gz PFBVLSBETYZTSQ-HNNXBMFYSA-N 0 1 319.408 3.536 20 30 DHEDMN CCCNC(=O)c1cccc(CN[C@H](C)c2cccc(C#N)c2)c1 ZINC000181519742 1021223198 /nfs/dbraw/zinc/22/31/98/1021223198.db2.gz PXQNMPLNYRLTSB-OAHLLOKOSA-N 0 1 321.424 3.549 20 30 DHEDMN C(=NN=c1[nH]c2ccccc2[nH]1)c1ccc(N2CCCCC2)o1 ZINC000917569695 1021306332 /nfs/dbraw/zinc/30/63/32/1021306332.db2.gz XYBBRYHLKMZXTQ-UHFFFAOYSA-N 0 1 309.373 3.592 20 30 DHEDMN N#Cc1cccc(CN(Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000066696109 1021322373 /nfs/dbraw/zinc/32/23/73/1021322373.db2.gz CFKAUSZVLLBOGY-QGZVFWFLSA-N 0 1 312.438 3.801 20 30 DHEDMN N#Cc1cccc(CN(Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000066696108 1021327436 /nfs/dbraw/zinc/32/74/36/1021327436.db2.gz CFKAUSZVLLBOGY-KRWDZBQOSA-N 0 1 312.438 3.801 20 30 DHEDMN CCNc1ccc(Cl)cc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000189187602 1021343094 /nfs/dbraw/zinc/34/30/94/1021343094.db2.gz LCBLEUDWVLOXEQ-UHFFFAOYSA-N 0 1 315.760 3.601 20 30 DHEDMN C[C@@H]1CN(Cc2ccc(C#N)c(Br)c2)C2(CC2)C1 ZINC001236865720 1021417941 /nfs/dbraw/zinc/41/79/41/1021417941.db2.gz FZMAPIQKRIFRRI-NSHDSACASA-N 0 1 305.219 3.695 20 30 DHEDMN C#CCN(Cc1cnc(-c2ccccc2)nc1)C1CCCCC1 ZINC000744212554 1021470554 /nfs/dbraw/zinc/47/05/54/1021470554.db2.gz JVUXFYQEFNBZNL-UHFFFAOYSA-N 0 1 305.425 3.912 20 30 DHEDMN C[C@H](Sc1nc(-c2ccccc2O)n[nH]1)c1cccc(C#N)c1 ZINC000194587068 1021472351 /nfs/dbraw/zinc/47/23/51/1021472351.db2.gz IMXDOTLHCMRKKU-NSHDSACASA-N 0 1 322.393 3.902 20 30 DHEDMN COc1ccc([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)c(OC)c1 ZINC000618808066 1021534055 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C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC(C(C)(C)C)CC1 ZINC000194762037 1021669710 /nfs/dbraw/zinc/66/97/10/1021669710.db2.gz OCLBOEDMKPHKPY-AWEZNQCLSA-N 0 1 313.445 3.643 20 30 DHEDMN Cc1csc([C@H](C#N)C(=O)c2ccccc2OC2CCC2)n1 ZINC000118598836 1021756859 /nfs/dbraw/zinc/75/68/59/1021756859.db2.gz FNODEBKCGRKKIW-CQSZACIVSA-N 0 1 312.394 3.873 20 30 DHEDMN Cc1csc(C(C#N)C(=O)c2ccccc2OC2CCC2)n1 ZINC000118598836 1021756874 /nfs/dbraw/zinc/75/68/74/1021756874.db2.gz FNODEBKCGRKKIW-CQSZACIVSA-N 0 1 312.394 3.873 20 30 DHEDMN CCOc1ccccc1NC(=O)C(C#N)C(=O)CC(C)(C)CC ZINC000745947791 1021801318 /nfs/dbraw/zinc/80/13/18/1021801318.db2.gz NQKJKURBLLRLGQ-ZDUSSCGKSA-N 0 1 316.401 3.559 20 30 DHEDMN Cc1ccc2nc(CN=Cc3cc4ccccc4[nH]c3=O)[nH]c2c1 ZINC000745976629 1021817862 /nfs/dbraw/zinc/81/78/62/1021817862.db2.gz LJAYGMLFRJADMB-KEBDBYFISA-N 0 1 316.364 3.744 20 30 DHEDMN COc1ccccc1[C@H](C)NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000728713130 1021879914 /nfs/dbraw/zinc/87/99/14/1021879914.db2.gz LKJUVVTVISZBMF-GJZGRUSLSA-N 0 1 310.397 3.837 20 30 DHEDMN Cc1oc(NC(=O)[C@H](C)N[C@H](C)c2ccsc2)c(C#N)c1C ZINC000619783387 1021892984 /nfs/dbraw/zinc/89/29/84/1021892984.db2.gz RILFZIGMHNQOPB-MNOVXSKESA-N 0 1 317.414 3.507 20 30 DHEDMN C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000852100426 1022075193 /nfs/dbraw/zinc/07/51/93/1022075193.db2.gz HSCGKSSWULVSOJ-BONVTDFDSA-N 0 1 313.228 3.712 20 30 DHEDMN C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000852101864 1022076678 /nfs/dbraw/zinc/07/66/78/1022076678.db2.gz TWEXDBLEIFMHRA-ZUZCIYMTSA-N 0 1 313.228 3.712 20 30 DHEDMN C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000852100058 1022076789 /nfs/dbraw/zinc/07/67/89/1022076789.db2.gz SKFDIHZIPWDXNU-GUYCJALGSA-N 0 1 306.837 3.675 20 30 DHEDMN Cc1ccc(OCc2nc(C=N[N-]c3cccc[nH+]3)cs2)cc1 ZINC000920365144 1022109513 /nfs/dbraw/zinc/10/95/13/1022109513.db2.gz NZSZWRWGZJOSOF-UHFFFAOYSA-N 0 1 324.409 3.872 20 30 DHEDMN C=CCCCCN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 ZINC000852335894 1022110390 /nfs/dbraw/zinc/11/03/90/1022110390.db2.gz NIJBUQRWCZFPDP-UHFFFAOYSA-N 0 1 312.335 3.859 20 30 DHEDMN C=CCCOCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000920792438 1022175346 /nfs/dbraw/zinc/17/53/46/1022175346.db2.gz QNTIKDFLMRCXRQ-CQSZACIVSA-N 0 1 312.394 3.579 20 30 DHEDMN Fc1c(Cl)cccc1NN=Cc1ccc(-n2cncn2)cc1 ZINC000921138020 1022217766 /nfs/dbraw/zinc/21/77/66/1022217766.db2.gz ZPLNCSIXLZFKJD-UHFFFAOYSA-N 0 1 315.739 3.506 20 30 DHEDMN CC(C)n1ccnc1CN=Nc1ccc(C#N)cc1C(F)(F)F ZINC000853342707 1022259898 /nfs/dbraw/zinc/25/98/98/1022259898.db2.gz LTYMOUXIAZCTHM-UHFFFAOYSA-N 0 1 321.306 3.800 20 30 DHEDMN CC(=CC(=O)Nc1nc2ccc(C#N)cc2[nH]1)c1ccccc1C ZINC001169189719 1022292486 /nfs/dbraw/zinc/29/24/86/1022292486.db2.gz MCTCUOJKHYEOIN-UKTHLTGXSA-N 0 1 316.364 3.785 20 30 DHEDMN COC(=O)c1scc(C#N)c1Nc1ccc(Cl)c(O)c1 ZINC001212589644 1022371498 /nfs/dbraw/zinc/37/14/98/1022371498.db2.gz XAEHGIITUHZJID-UHFFFAOYSA-N 0 1 308.746 3.509 20 30 DHEDMN CN(C)Cc1ccc(N[C@@](C)(C#N)c2ccccc2Cl)nc1 ZINC001169379562 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N#Cc1ccc(O)c(NC(=O)C2(c3cccc(Cl)c3)CC2)c1 ZINC000179730273 1022518151 /nfs/dbraw/zinc/51/81/51/1022518151.db2.gz GOEILPIMUPRGFI-UHFFFAOYSA-N 0 1 312.756 3.588 20 30 DHEDMN CN(C)Cc1cc(NCc2ccc(C#N)s2)ccc1Cl ZINC000282148977 1022540246 /nfs/dbraw/zinc/54/02/46/1022540246.db2.gz HNOWMCPXHIQPOB-UHFFFAOYSA-N 0 1 305.834 3.947 20 30 DHEDMN COc1ccc2c(c1)OCC2=NN=c1[nH]c2ccccc2cc1C ZINC000776786254 1022569038 /nfs/dbraw/zinc/56/90/38/1022569038.db2.gz TVPDABDFJWHMJR-UHFFFAOYSA-N 0 1 319.364 3.760 20 30 DHEDMN Cc1cc2ccccc2nc1NN=Cc1ccc(OCC#N)cc1 ZINC000776782359 1022574444 /nfs/dbraw/zinc/57/44/44/1022574444.db2.gz JFUGBXUYSFVAGW-UHFFFAOYSA-N 0 1 316.364 3.892 20 30 DHEDMN C[C@@H](CC(F)(F)F)NC(=O)C(F)(F)c1c(F)cccc1F ZINC000766924022 1022610403 /nfs/dbraw/zinc/61/04/03/1022610403.db2.gz UOOWOLKQSATOAR-LURJTMIESA-N 0 1 317.204 3.514 20 30 DHEDMN CN(C)c1nc(Cl)c(C=NNc2ccccc2Cl)s1 ZINC000767037102 1022629920 /nfs/dbraw/zinc/62/99/20/1022629920.db2.gz KTUXFAGLIKSHBB-UHFFFAOYSA-N 0 1 315.229 3.962 20 30 DHEDMN CC[C@H](CC(=O)Nc1cc(C#N)ccc1O)c1ccc(OC)cc1 ZINC000162354688 1022625043 /nfs/dbraw/zinc/62/50/43/1022625043.db2.gz RVICXLVQYNMNBK-CQSZACIVSA-N 0 1 324.380 3.795 20 30 DHEDMN CCCOCC(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000068490859 1022655549 /nfs/dbraw/zinc/65/55/49/1022655549.db2.gz SCYHNLCWUQVLPR-JTQLQIEISA-N 0 1 308.790 3.553 20 30 DHEDMN C[C@@H]1CC(N=Nc2ccnc(F)c2)CN(Cc2ccccc2)C1 ZINC000767387281 1022707506 /nfs/dbraw/zinc/70/75/06/1022707506.db2.gz ZCBVJEKGBPAJLX-CQSZACIVSA-N 0 1 312.392 3.531 20 30 DHEDMN CC(=NNc1ccccn1)c1c(C)nn(-c2ccccc2)c1C ZINC000746486459 1022787219 /nfs/dbraw/zinc/78/72/19/1022787219.db2.gz BBRXKGXKGIKHLE-UHFFFAOYSA-N 0 1 305.385 3.720 20 30 DHEDMN FC(F)(F)c1cnc(NN=Cc2cncs2)c(Cl)c1 ZINC000767747605 1022794511 /nfs/dbraw/zinc/79/45/11/1022794511.db2.gz ZGAPKSKAEZAQBR-UHFFFAOYSA-N 0 1 306.700 3.656 20 30 DHEDMN Cc1cc(C=NNc2ncnc3sc4c(c32)CCC4)c(C)o1 ZINC000767897332 1022838569 /nfs/dbraw/zinc/83/85/69/1022838569.db2.gz XGGGVOKSZYOPDE-UHFFFAOYSA-N 0 1 312.398 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ZINC000595287526 1023638345 /nfs/dbraw/zinc/63/83/45/1023638345.db2.gz JGIJUXHAVNMMOH-FQEVSTJZSA-N 0 1 323.415 3.598 20 30 DHEDMN C=C[C@@H]1CCCCN1Cc1cc(=O)oc2cc(O)c(CC)cc12 ZINC000785997264 1023650733 /nfs/dbraw/zinc/65/07/33/1023650733.db2.gz KIEJLUYIUNBQCE-OAHLLOKOSA-N 0 1 313.397 3.602 20 30 DHEDMN C=CCN(Cc1c(C)nc2sc(C)nn12)CC1CCCCC1 ZINC000538730910 1033153852 /nfs/dbraw/zinc/15/38/52/1033153852.db2.gz BZHNKQFSIXNKRS-UHFFFAOYSA-N 0 1 318.490 3.976 20 30 DHEDMN C=CCOCc1nn(C)c2c1CN([C@@H](C)CCCC(C)C)CC2 ZINC001170079657 1023831112 /nfs/dbraw/zinc/83/11/12/1023831112.db2.gz FYBVJXHBFWWPAI-INIZCTEOSA-N 0 1 319.493 3.696 20 30 DHEDMN C=C1CC[NH+]([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC000652410328 1023850922 /nfs/dbraw/zinc/85/09/22/1023850922.db2.gz ZSHTXRKQLFSORW-ZDUSSCGKSA-N 0 1 300.185 3.771 20 30 DHEDMN CC(=NNc1nc2ccccc2n1C)c1ccc(C#N)cc1Cl ZINC000788424798 1023880649 /nfs/dbraw/zinc/88/06/49/1023880649.db2.gz BKEDWKZFVMBRPU-UHFFFAOYSA-N 0 1 323.787 3.934 20 30 DHEDMN CC(=NNCCc1ccncc1)c1ccc(N2CCCCC2)cc1 ZINC000789097796 1023999531 /nfs/dbraw/zinc/99/95/31/1023999531.db2.gz KCUOCXQVLLSNEN-UHFFFAOYSA-N 0 1 322.456 3.628 20 30 DHEDMN C=CC1CCN([C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)CC1 ZINC000789320603 1024050702 /nfs/dbraw/zinc/05/07/02/1024050702.db2.gz LKIIWQOXXPTLFO-SFHVURJKSA-N 0 1 312.457 3.615 20 30 DHEDMN COc1ccc(CN[C@@H](CCC#N)c2ccccc2)cc1C#N ZINC000130492354 1024175948 /nfs/dbraw/zinc/17/59/48/1024175948.db2.gz NVEGPYUAPVAPCG-SFHVURJKSA-N 0 1 305.381 3.702 20 30 DHEDMN CC[C@@H](C#N)Oc1cccc(CNCc2ccc(SC)o2)c1 ZINC000883000272 1024202859 /nfs/dbraw/zinc/20/28/59/1024202859.db2.gz UZIWOJJVOCMMEY-AWEZNQCLSA-N 0 1 316.426 3.972 20 30 DHEDMN Cc1ccc(C(=O)/C=C/c2nccn2-c2ccccc2)c(O)c1 ZINC000790222457 1024256979 /nfs/dbraw/zinc/25/69/79/1024256979.db2.gz QXCPWEDXBLXODL-MDZDMXLPSA-N 0 1 304.349 3.782 20 30 DHEDMN C=CCC[C@@H](NCc1cscn1)[C@@H]1Cc2ccccc2O1 ZINC000883183192 1024270904 /nfs/dbraw/zinc/27/09/04/1024270904.db2.gz VGQZVFPMCFAHCX-WBVHZDCISA-N 0 1 300.427 3.571 20 30 DHEDMN C=CCC[C@@H](NCc1ccn(C2CCCC2)n1)[C@@H]1CCCO1 ZINC000883207373 1024288236 /nfs/dbraw/zinc/28/82/36/1024288236.db2.gz LUCNGCCLZPUWHI-MSOLQXFVSA-N 0 1 303.450 3.602 20 30 DHEDMN Oc1c(Cl)cc(Cl)cc1/C=N/C[C@H](O)Cc1ccccc1 ZINC000103716923 1033499981 /nfs/dbraw/zinc/49/99/81/1033499981.db2.gz MDXLRDJTBCWMHY-MRGVZLDZSA-N 0 1 324.207 3.722 20 30 DHEDMN C[C@H](NCc1cnc([C@H]2CCCO2)s1)c1ccc(C#N)cc1 ZINC000270183928 1024363011 /nfs/dbraw/zinc/36/30/11/1024363011.db2.gz GJQVDQZQMQARBR-BLLLJJGKSA-N 0 1 313.426 3.717 20 30 DHEDMN C=C1CCC(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC001126286769 1024426673 /nfs/dbraw/zinc/42/66/73/1024426673.db2.gz VNBCHAXCIXHINY-LJQANCHMSA-N 0 1 312.457 3.514 20 30 DHEDMN COCCN(Cc1ccc(C#N)s1)[C@H](C)c1ccccc1 ZINC000271075001 1024454771 /nfs/dbraw/zinc/45/47/71/1024454771.db2.gz QPTIQNPJHZVRKN-CQSZACIVSA-N 0 1 300.427 3.829 20 30 DHEDMN N#Cc1ccc(CN[C@H]2CCCOc3ccc(F)cc32)cc1F ZINC000453383839 1024484749 /nfs/dbraw/zinc/48/47/49/1024484749.db2.gz MXZLCPLDCWFBFS-KRWDZBQOSA-N 0 1 314.335 3.840 20 30 DHEDMN C[C@H]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC12CCC2 ZINC000271351802 1024493544 /nfs/dbraw/zinc/49/35/44/1024493544.db2.gz OSUMIWHEPHBPMK-AWEZNQCLSA-N 0 1 322.412 3.620 20 30 DHEDMN C=C(Br)CN[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000166501933 1024500167 /nfs/dbraw/zinc/50/01/67/1024500167.db2.gz WEXIXVHNIZIQGP-UKRRQHHQSA-N 0 1 310.235 3.653 20 30 DHEDMN COC(=O)c1oc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1C ZINC000271644205 1024556565 /nfs/dbraw/zinc/55/65/65/1024556565.db2.gz HSNOLOHTZSVHDB-OLZOCXBDSA-N 0 1 312.369 3.658 20 30 DHEDMN Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)CC(C)(C)C)c1 ZINC000339256416 1024582101 /nfs/dbraw/zinc/58/21/01/1024582101.db2.gz OOXHOARFWFCHNP-UHFFFAOYSA-N 0 1 315.461 3.528 20 30 DHEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2cncc(Cl)c2)s1 ZINC000453781950 1024589077 /nfs/dbraw/zinc/58/90/77/1024589077.db2.gz TVDCPDFMJDNBLX-NSHDSACASA-N 0 1 319.817 3.979 20 30 DHEDMN CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cncc(Cl)c2)s1 ZINC000453781950 1024589085 /nfs/dbraw/zinc/58/90/85/1024589085.db2.gz TVDCPDFMJDNBLX-NSHDSACASA-N 0 1 319.817 3.979 20 30 DHEDMN Cn1c2ccccc2nc1N=NCc1cccc(OC(F)F)c1 ZINC000747048296 1024593307 /nfs/dbraw/zinc/59/33/07/1024593307.db2.gz XBKMINRWASJRPT-UHFFFAOYSA-N 0 1 316.311 3.621 20 30 DHEDMN N#CC(=C(O)C=C1CCSCC1)c1nccc2ccccc21 ZINC000792101549 1024625677 /nfs/dbraw/zinc/62/56/77/1024625677.db2.gz OAWDDMJEVOJNJC-INIZCTEOSA-N 0 1 308.406 3.864 20 30 DHEDMN N#CC(C(=O)[C@H]1CC1(Cl)Cl)c1nccc2ccccc21 ZINC000792102602 1024625709 /nfs/dbraw/zinc/62/57/09/1024625709.db2.gz IRKAYLRDNURLNM-VXGBXAGGSA-N 0 1 305.164 3.605 20 30 DHEDMN N#CC(C(=O)C=Cc1ccsc1)c1cnc2ccccc2n1 ZINC000792099943 1024625822 /nfs/dbraw/zinc/62/58/22/1024625822.db2.gz KBYCAVHBRYRSMT-CFHLNLSMSA-N 0 1 305.362 3.581 20 30 DHEDMN N#CC(=C(O)C=Cc1ccsc1)c1cnc2ccccc2n1 ZINC000792099943 1024625826 /nfs/dbraw/zinc/62/58/26/1024625826.db2.gz KBYCAVHBRYRSMT-CFHLNLSMSA-N 0 1 305.362 3.581 20 30 DHEDMN C[C@H](CCCC#N)N1CCc2cccc(Br)c2C1 ZINC001172495567 1033225203 /nfs/dbraw/zinc/22/52/03/1033225203.db2.gz FUGAHEWYUIQYBD-GFCCVEGCSA-N 0 1 307.235 3.890 20 30 DHEDMN C=CCC1(NC(=O)NC[C@@H](c2ccsc2)N(C)C)CCCC1 ZINC000663628853 1024662251 /nfs/dbraw/zinc/66/22/51/1024662251.db2.gz OTIOGYPTLZTGCR-HNNXBMFYSA-N 0 1 321.490 3.539 20 30 DHEDMN C[C@@H](CCCC#N)N1CCc2c(Br)cccc2C1 ZINC001172499579 1033228674 /nfs/dbraw/zinc/22/86/74/1033228674.db2.gz FAZOQVUXOJBFOS-LBPRGKRZSA-N 0 1 307.235 3.890 20 30 DHEDMN N#C[C@H]1CC[C@H](Nc2cnc3cc(Br)ccn23)CC1 ZINC001167844206 1024687573 /nfs/dbraw/zinc/68/75/73/1024687573.db2.gz BSTPNNJQWSEYPF-UMSPYCQHSA-N 0 1 319.206 3.591 20 30 DHEDMN N#Cc1ccc(CNc2ccc(C3C=NC(=S)N3)cc2)s1 ZINC001170200014 1024699785 /nfs/dbraw/zinc/69/97/85/1024699785.db2.gz RBKRNJQRGJXRPW-UHFFFAOYSA-N 0 1 312.423 3.911 20 30 DHEDMN Cc1[nH]c2ccccc2c1C(=O)/C=C\c1cc(O)ccc1[N+](=O)[O-] ZINC000772804915 1024720826 /nfs/dbraw/zinc/72/08/26/1024720826.db2.gz DGDZUUQHGYSRDF-TWGQIWQCSA-N 0 1 322.320 3.986 20 30 DHEDMN N#CC1(c2ccccc2)CCC(N2CCc3ccncc3C2)CC1 ZINC001170389634 1024761832 /nfs/dbraw/zinc/76/18/32/1024761832.db2.gz WUXIXBOWSQHAJY-UHFFFAOYSA-N 0 1 317.436 3.844 20 30 DHEDMN CN(Cc1cscn1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170394849 1024761915 /nfs/dbraw/zinc/76/19/15/1024761915.db2.gz CKHHSMWMLQGKPX-UHFFFAOYSA-N 0 1 311.454 3.979 20 30 DHEDMN Fc1ccc(Cl)cc1C=NNc1cnc2ccccc2n1 ZINC000753698697 1024852269 /nfs/dbraw/zinc/85/22/69/1024852269.db2.gz XCNWWYQQPHXLQM-UHFFFAOYSA-N 0 1 300.724 3.868 20 30 DHEDMN CC(=NNc1cccc(F)c1F)c1ccc(C(=O)N(C)C)cc1 ZINC000793016566 1024866577 /nfs/dbraw/zinc/86/65/77/1024866577.db2.gz QXAILVOCUSMZGZ-UHFFFAOYSA-N 0 1 317.339 3.503 20 30 DHEDMN Cc1oc(C)c(C(=O)C(C#N)c2nc3ccccc3n2C)c1C ZINC000122145231 1024896325 /nfs/dbraw/zinc/89/63/25/1024896325.db2.gz GVLGCYUAZPJFFR-ZDUSSCGKSA-N 0 1 307.353 3.582 20 30 DHEDMN Cc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1C ZINC000127591338 1024897230 /nfs/dbraw/zinc/89/72/30/1024897230.db2.gz SYBFKIULMPIGFD-HZPDHXFCSA-N 0 1 321.424 3.853 20 30 DHEDMN Cc1cccc(NC(=O)[C@H](C)N[C@H](C)c2ccc(C#N)cc2)c1C ZINC000127590692 1024900204 /nfs/dbraw/zinc/90/02/04/1024900204.db2.gz BHZARJQOIVTNNB-CVEARBPZSA-N 0 1 321.424 3.853 20 30 DHEDMN CCCCCCCN1CCC[C@@]12CCN(CC(F)(F)F)C2=O ZINC001275111929 1024918472 /nfs/dbraw/zinc/91/84/72/1024918472.db2.gz TWENSYGEXDYGFW-HNNXBMFYSA-N 0 1 320.399 3.586 20 30 DHEDMN COC[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(F)cc1 ZINC000353242018 1024995190 /nfs/dbraw/zinc/99/51/90/1024995190.db2.gz MPEGSWPFTZVHOS-OALUTQOASA-N 0 1 310.372 3.662 20 30 DHEDMN N#Cc1ccc2c(c1)[C@H](N[C@H]1CCOc3ccc(F)cc31)CC2 ZINC000353249103 1024999258 /nfs/dbraw/zinc/99/92/58/1024999258.db2.gz CLIPUWWPAJIUHN-MSOLQXFVSA-N 0 1 308.356 3.798 20 30 DHEDMN C=CCC[C@H](NCc1ccccc1Cn1cncn1)c1ccco1 ZINC000353458633 1025073781 /nfs/dbraw/zinc/07/37/81/1025073781.db2.gz DINIMMRMPXGALV-SFHVURJKSA-N 0 1 322.412 3.717 20 30 DHEDMN Cc1nc2ccc(CNCc3ccc(C#N)cc3F)cc2s1 ZINC000617262404 1025138705 /nfs/dbraw/zinc/13/87/05/1025138705.db2.gz RZSGZWXRJABRFB-UHFFFAOYSA-N 0 1 311.385 3.905 20 30 DHEDMN C=CC1CCN(Cc2c(C)nn(CC(C)C)c2OCC)CC1 ZINC000353590376 1025140200 /nfs/dbraw/zinc/14/02/00/1025140200.db2.gz IZEPKDNAMCTZGY-UHFFFAOYSA-N 0 1 305.466 3.644 20 30 DHEDMN Cc1nc(Cl)cc(NN=Cc2cnc(C3CCC3)s2)n1 ZINC000760260821 1025225184 /nfs/dbraw/zinc/22/51/84/1025225184.db2.gz UOHSFDCRMNCYLB-UHFFFAOYSA-N 0 1 307.810 3.608 20 30 DHEDMN N#C[C@H](C(=O)c1cnc(-c2ccsc2)s1)c1ccccn1 ZINC000112483790 1025247661 /nfs/dbraw/zinc/24/76/61/1025247661.db2.gz PXAVKXQSHWSMDS-NSHDSACASA-N 0 1 311.391 3.757 20 30 DHEDMN N#CC(C(=O)c1cnc(-c2ccsc2)s1)c1ccccn1 ZINC000112483790 1025247664 /nfs/dbraw/zinc/24/76/64/1025247664.db2.gz PXAVKXQSHWSMDS-NSHDSACASA-N 0 1 311.391 3.757 20 30 DHEDMN CCOc1cc2c(cc1CNCc1ccc(C#N)cc1)O[C@H](C)C2 ZINC000053149187 1025280557 /nfs/dbraw/zinc/28/05/57/1025280557.db2.gz JRLRRPHKVCSXEH-CQSZACIVSA-N 0 1 322.408 3.570 20 30 DHEDMN COc1cc(C)cc(Nc2sc3c(c2C#N)CCN(C)C3)c1 ZINC001211722523 1025382056 /nfs/dbraw/zinc/38/20/56/1025382056.db2.gz CIQVWMDOOBEQNP-UHFFFAOYSA-N 0 1 313.426 3.668 20 30 DHEDMN Cc1csc(C(C#N)C(=O)c2ccc(Br)cc2)n1 ZINC000041520562 1025409051 /nfs/dbraw/zinc/40/90/51/1025409051.db2.gz ICZMWNJAZIJJRX-LLVKDONJSA-N 0 1 321.199 3.704 20 30 DHEDMN N#CC(C(=O)c1ccc2c(c1)CCC2)c1nc2ccccc2o1 ZINC000041544784 1025410203 /nfs/dbraw/zinc/41/02/03/1025410203.db2.gz WSZZYUFCSJZUFZ-OAHLLOKOSA-N 0 1 302.333 3.807 20 30 DHEDMN N#C[C@H](C(=O)c1ccc2c(c1)CCC2)c1nc2ccccc2o1 ZINC000041544784 1025410209 /nfs/dbraw/zinc/41/02/09/1025410209.db2.gz WSZZYUFCSJZUFZ-OAHLLOKOSA-N 0 1 302.333 3.807 20 30 DHEDMN COc1cc(C)cc(CN[C@@H](C)c2cccc(C#N)c2)c1OC ZINC000886005542 1025434850 /nfs/dbraw/zinc/43/48/50/1025434850.db2.gz DHYGAUYDUNTYBB-AWEZNQCLSA-N 0 1 310.397 3.735 20 30 DHEDMN N#Cc1ccc(O)c(NC(=O)c2cncc(-c3ccccc3)c2)c1 ZINC000136966153 1025497632 /nfs/dbraw/zinc/49/76/32/1025497632.db2.gz OUIATTUMZAAXQS-UHFFFAOYSA-N 0 1 315.332 3.578 20 30 DHEDMN C=CC[C@@H]1N(Cc2ncc(CN(C)C)s2)CCCC1(C)C ZINC000348373711 1025577355 /nfs/dbraw/zinc/57/73/55/1025577355.db2.gz INTLSRSKCDNHNH-HNNXBMFYSA-N 0 1 307.507 3.771 20 30 DHEDMN CSc1ccc(CNCc2ccccc2N(C)C)cc1C#N ZINC000886278590 1025581178 /nfs/dbraw/zinc/58/11/78/1025581178.db2.gz DEMZXPZNKTUDDQ-UHFFFAOYSA-N 0 1 311.454 3.636 20 30 DHEDMN C=CCN(Cc1cn(-c2ccncc2)nc1C)c1ccccc1 ZINC000355067019 1025596301 /nfs/dbraw/zinc/59/63/01/1025596301.db2.gz XYHZVYKDTUBXBP-UHFFFAOYSA-N 0 1 304.397 3.768 20 30 DHEDMN CC[N@H+](CCC#N)Cc1cc(Cl)cc(Br)c1[O-] ZINC000893925063 1025602705 /nfs/dbraw/zinc/60/27/05/1025602705.db2.gz UVQODNVUECPHDU-UHFFFAOYSA-N 0 1 317.614 3.544 20 30 DHEDMN CC[N@@H+](CCC#N)Cc1cc(Cl)cc(Br)c1[O-] ZINC000893925063 1025602709 /nfs/dbraw/zinc/60/27/09/1025602709.db2.gz UVQODNVUECPHDU-UHFFFAOYSA-N 0 1 317.614 3.544 20 30 DHEDMN C#C[C@@H]1CCCN(Cc2cc(OC(F)(F)F)ccc2F)C1 ZINC001143544504 1025603474 /nfs/dbraw/zinc/60/34/74/1025603474.db2.gz FKJXTVDGTBMMHF-LLVKDONJSA-N 0 1 301.283 3.570 20 30 DHEDMN C#CCC1(NCc2csc(-c3ccsc3)n2)CCOCC1 ZINC000886381755 1025610848 /nfs/dbraw/zinc/61/08/48/1025610848.db2.gz QMIOWONALKUKQV-UHFFFAOYSA-N 0 1 318.467 3.534 20 30 DHEDMN Cc1csc(C(C#N)C(=O)c2cccc(OCC(C)C)c2)n1 ZINC000047357761 1025621119 /nfs/dbraw/zinc/62/11/19/1025621119.db2.gz UXQUPMLIQMZPMP-HNNXBMFYSA-N 0 1 314.410 3.976 20 30 DHEDMN C[C@H](NCc1cccc(C#N)c1)c1cccc(N2CCCC2=O)c1 ZINC000068706194 1025658203 /nfs/dbraw/zinc/65/82/03/1025658203.db2.gz MNAQDKJEBMFHFF-HNNXBMFYSA-N 0 1 319.408 3.536 20 30 DHEDMN C=C(C)CN(CC)C(=O)CN(C1CC1)[C@@H]1CCc2ccccc21 ZINC000355439939 1025724203 /nfs/dbraw/zinc/72/42/03/1025724203.db2.gz PVADVIZAOOLBLP-LJQANCHMSA-N 0 1 312.457 3.563 20 30 DHEDMN N#CCOc1ccc(Nc2ccncc2Oc2ccccc2)cc1 ZINC001212604447 1025739061 /nfs/dbraw/zinc/73/90/61/1025739061.db2.gz DNXKGOTXJQKADA-UHFFFAOYSA-N 0 1 317.348 3.942 20 30 DHEDMN CCc1noc(C)c1[C@@H](C)NCc1ccc(SC)c(C#N)c1 ZINC000886688701 1025790718 /nfs/dbraw/zinc/79/07/18/1025790718.db2.gz YFSFTTARXWPURJ-LLVKDONJSA-N 0 1 315.442 3.990 20 30 DHEDMN CSc1ccc(CN[C@@H](C)c2cnc(C)nc2C)cc1C#N ZINC000886688236 1025790749 /nfs/dbraw/zinc/79/07/49/1025790749.db2.gz NDUUNVBLORVAGB-NSHDSACASA-N 0 1 312.442 3.538 20 30 DHEDMN COCCCCN(Cc1ccccc1)Cc1ccccc1C#N ZINC000052798085 1025812007 /nfs/dbraw/zinc/81/20/07/1025812007.db2.gz QCFWNORJSSETPV-UHFFFAOYSA-N 0 1 308.425 3.987 20 30 DHEDMN CSC[C@@H]1CCCN1Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000135441654 1025842119 /nfs/dbraw/zinc/84/21/19/1025842119.db2.gz XBSMXGPPEQQVAB-HNNXBMFYSA-N 0 1 313.426 3.541 20 30 DHEDMN C=CCCC[C@@H]([NH2+]Cc1nnc(CSC)[n-]1)c1ccccc1 ZINC000886759610 1025880471 /nfs/dbraw/zinc/88/04/71/1025880471.db2.gz KPGXOHLVEWESIE-OAHLLOKOSA-N 0 1 316.474 3.855 20 30 DHEDMN O=C1c2ccc(Cl)nc2C/C1=C\c1cc(F)c(O)c(F)c1 ZINC000806580031 1025914779 /nfs/dbraw/zinc/91/47/79/1025914779.db2.gz YSUZXXCJGWZGSE-FPYGCLRLSA-N 0 1 307.683 3.541 20 30 DHEDMN O=C(C=Cc1cc(Cl)c(O)cc1Cl)c1cc[nH]c(=O)c1 ZINC000806555731 1025919684 /nfs/dbraw/zinc/91/96/84/1025919684.db2.gz HUWOOOLFVJHTRA-OWOJBTEDSA-N 0 1 310.136 3.696 20 30 DHEDMN CC(C)n1cc(/C=C/C(=O)c2ccc3ccccc3c2O)nn1 ZINC000806573920 1025931542 /nfs/dbraw/zinc/93/15/42/1025931542.db2.gz WPZSVRSJTWTPQS-CSKARUKUSA-N 0 1 307.353 3.614 20 30 DHEDMN CCC[N@@H+](Cc1cn2c(cccc2C)n1)Cc1ccc(C#N)cc1 ZINC000051855250 1025989878 /nfs/dbraw/zinc/98/98/78/1025989878.db2.gz OXUGCMJFUGBCMP-UHFFFAOYSA-N 0 1 318.424 3.927 20 30 DHEDMN CCCN(Cc1cn2c(cccc2C)n1)Cc1ccc(C#N)cc1 ZINC000051855250 1025989890 /nfs/dbraw/zinc/98/98/90/1025989890.db2.gz OXUGCMJFUGBCMP-UHFFFAOYSA-N 0 1 318.424 3.927 20 30 DHEDMN C[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CCC1(F)F ZINC000356257222 1025994914 /nfs/dbraw/zinc/99/49/14/1025994914.db2.gz KFFBNJYEFLHNGJ-CQSZACIVSA-N 0 1 308.372 3.846 20 30 DHEDMN Cc1ccccc1-c1n[nH]c(=S)n1N=Cc1cccc(O)c1 ZINC000263629245 1026025813 /nfs/dbraw/zinc/02/58/13/1026025813.db2.gz UYUITPCYFSMPPF-UHFFFAOYSA-N 0 1 310.382 3.504 20 30 DHEDMN COc1ccc(C)cc1CN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000729685729 1026051894 /nfs/dbraw/zinc/05/18/94/1026051894.db2.gz HJOMFLNLROXBSK-HNNXBMFYSA-N 0 1 310.397 3.757 20 30 DHEDMN Cc1cc(CNCc2csc(C#N)c2)ccc1Br ZINC001202738891 1026162103 /nfs/dbraw/zinc/16/21/03/1026162103.db2.gz HSTOSOXUDMAZJA-UHFFFAOYSA-N 0 1 321.243 3.981 20 30 DHEDMN Fc1ccc(Cl)cc1C=NNc1nccnc1C1CCC1 ZINC000807991938 1026166470 /nfs/dbraw/zinc/16/64/70/1026166470.db2.gz WHAXYXCSVUQELE-UHFFFAOYSA-N 0 1 304.756 3.983 20 30 DHEDMN Cc1cc(CN=Nc2nc3cc(F)c(F)cc3[nH]2)ccc1F ZINC000729143256 1026380329 /nfs/dbraw/zinc/38/03/29/1026380329.db2.gz LLCORIOBKRILLX-UHFFFAOYSA-N 0 1 304.275 3.735 20 30 DHEDMN CC1(CC(=O)C(C#N)C(=O)Nc2ccccc2Cl)CCCC1 ZINC000808980050 1026425212 /nfs/dbraw/zinc/42/52/12/1026425212.db2.gz RXSQYAONIXPPMW-LBPRGKRZSA-N 0 1 318.804 3.958 20 30 DHEDMN CCc1nc(C)c([C@H](C)NCc2ccc(C#N)cc2F)s1 ZINC000151138809 1026426352 /nfs/dbraw/zinc/42/63/52/1026426352.db2.gz BDKVEYXFPCYBGN-JTQLQIEISA-N 0 1 303.406 3.876 20 30 DHEDMN Cc1cc(C(F)F)oc1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC001131674292 1026520051 /nfs/dbraw/zinc/52/00/51/1026520051.db2.gz MSROHZXAZAGJBF-UHFFFAOYSA-N 0 1 316.267 3.526 20 30 DHEDMN C#Cc1ccc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000809545468 1026555785 /nfs/dbraw/zinc/55/57/85/1026555785.db2.gz LQILIBHIKXDBPL-UHFFFAOYSA-N 0 1 306.365 3.741 20 30 DHEDMN C#Cc1ccc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000809593244 1026568171 /nfs/dbraw/zinc/56/81/71/1026568171.db2.gz UJGBPWHGMHVTCR-LEWJYISDSA-N 0 1 300.405 3.940 20 30 DHEDMN C#Cc1ccc(CNCc2cnn(-c3ccc(Cl)cc3)c2)cc1 ZINC000809621469 1026568386 /nfs/dbraw/zinc/56/83/86/1026568386.db2.gz GMQCJRSHXKSKJW-UHFFFAOYSA-N 0 1 321.811 3.797 20 30 DHEDMN C#Cc1ccc(CNCc2cc(C)ccc2OC(F)F)cc1 ZINC000809626243 1026577669 /nfs/dbraw/zinc/57/76/69/1026577669.db2.gz GRWIEDWMJWOXRJ-UHFFFAOYSA-N 0 1 301.336 3.868 20 30 DHEDMN C#C[C@H](C)NCc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000809682766 1026591848 /nfs/dbraw/zinc/59/18/48/1026591848.db2.gz BKIZHESYDJOQPB-ZDUSSCGKSA-N 0 1 312.800 3.704 20 30 DHEDMN C#C[C@@H](NCc1cc(Cl)ccc1OC[C@H]1CCCO1)C(C)C ZINC000809685714 1026592379 /nfs/dbraw/zinc/59/23/79/1026592379.db2.gz MNESOZOKDVVPFX-IAGOWNOFSA-N 0 1 321.848 3.645 20 30 DHEDMN C#C[C@@H](CC)NCc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000809686252 1026593453 /nfs/dbraw/zinc/59/34/53/1026593453.db2.gz DULQSGHPCYEHGE-KRWDZBQOSA-N 0 1 315.848 3.703 20 30 DHEDMN C#C[C@H](NCc1cc(Cl)ccc1OC[C@H]1CCCO1)C(C)C ZINC000809685716 1026593968 /nfs/dbraw/zinc/59/39/68/1026593968.db2.gz MNESOZOKDVVPFX-SJORKVTESA-N 0 1 321.848 3.645 20 30 DHEDMN C[C@@H](C#N)Oc1ccc(CN(Cc2ccccn2)C2CC2)cc1 ZINC000809764166 1026620788 /nfs/dbraw/zinc/62/07/88/1026620788.db2.gz UBWFTNVMZSRWDG-HNNXBMFYSA-N 0 1 307.397 3.537 20 30 DHEDMN C#C[C@H](NCc1ccccc1OCc1ccncc1)C(C)(C)C ZINC000809782465 1026624157 /nfs/dbraw/zinc/62/41/57/1026624157.db2.gz VHITULCNONTIBX-IBGZPJMESA-N 0 1 308.425 3.798 20 30 DHEDMN CCCCCCCC[N@@H+]1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810067417 1026676998 /nfs/dbraw/zinc/67/69/98/1026676998.db2.gz VRJICTDJDHNBOA-AWEZNQCLSA-N 0 1 322.415 3.737 20 30 DHEDMN CCCCCCCC[N@H+]1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810067417 1026677006 /nfs/dbraw/zinc/67/70/06/1026677006.db2.gz VRJICTDJDHNBOA-AWEZNQCLSA-N 0 1 322.415 3.737 20 30 DHEDMN C=CCOCC[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810234890 1026716215 /nfs/dbraw/zinc/71/62/15/1026716215.db2.gz JJHBMLACMPTLMZ-CYBMUJFWSA-N 0 1 303.324 3.654 20 30 DHEDMN C[C@H]1CCCCCN1CC(=O)Nc1ccccc1SCC#N ZINC000072634938 1026852094 /nfs/dbraw/zinc/85/20/94/1026852094.db2.gz DCVRZZDTKPPDER-AWEZNQCLSA-N 0 1 317.458 3.505 20 30 DHEDMN CCOc1cc(CNCc2ccc(C#N)s2)cc(Cl)c1O ZINC000421347000 1026957768 /nfs/dbraw/zinc/95/77/68/1026957768.db2.gz AUOKBKIIFBRETJ-UHFFFAOYSA-N 0 1 322.817 3.667 20 30 DHEDMN N#Cc1ccc(CNCc2ccc(OCC(F)F)cc2)s1 ZINC000421356586 1026959770 /nfs/dbraw/zinc/95/97/70/1026959770.db2.gz XQMLLLUZPPJRPD-UHFFFAOYSA-N 0 1 308.353 3.553 20 30 DHEDMN C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1Cc1ccc(C#N)s1 ZINC000421362300 1026963335 /nfs/dbraw/zinc/96/33/35/1026963335.db2.gz NCPXAQGFGNAIET-QWHCGFSZSA-N 0 1 320.458 3.562 20 30 DHEDMN N#Cc1ccc(CNCc2ccccc2OC2CCC2)cc1F ZINC000421361102 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CC(N=Nc1cncnc1)c1csc(-c2ccccc2F)n1 ZINC000812229328 1027202312 /nfs/dbraw/zinc/20/23/12/1027202312.db2.gz FXYUQHXIKRBULR-UHFFFAOYSA-N 0 1 313.361 3.575 20 30 DHEDMN C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000931648381 1027203344 /nfs/dbraw/zinc/20/33/44/1027203344.db2.gz NHAIGVHFBABAKH-XPGWFJOJSA-N 0 1 303.409 3.582 20 30 DHEDMN COc1ccc(Cl)cc1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000574066474 1027356981 /nfs/dbraw/zinc/35/69/81/1027356981.db2.gz IIWBAPNJCJGWJG-KRWDZBQOSA-N 0 1 312.800 3.997 20 30 DHEDMN N#CC(C(=O)CCCC1CC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000813059987 1027508980 /nfs/dbraw/zinc/50/89/80/1027508980.db2.gz NAMWBYYAYATNOA-LBPRGKRZSA-N 0 1 322.767 3.707 20 30 DHEDMN Cc1csc(C(C#N)C(=O)C=Cc2ccccc2Cl)n1 ZINC000047358343 1027597591 /nfs/dbraw/zinc/59/75/91/1027597591.db2.gz NGMNBMJVRAVBHB-NNNHXZLVSA-N 0 1 302.786 3.995 20 30 DHEDMN N#Cc1csc(CN2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)n1 ZINC000576511463 1027625772 /nfs/dbraw/zinc/62/57/72/1027625772.db2.gz 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DHEDMN C[C@H](CC#N)N(C)CCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000827996289 1030746873 /nfs/dbraw/zinc/74/68/73/1030746873.db2.gz NRMLPDSYVSWCGN-OAHLLOKOSA-N 0 1 323.481 3.648 20 30 DHEDMN C=CCOCCCN[C@@H](C)c1ncc(C(F)(F)F)cc1Cl ZINC000926705368 1030873438 /nfs/dbraw/zinc/87/34/38/1030873438.db2.gz TUDYBYQZYNVFRG-JTQLQIEISA-N 0 1 322.758 3.997 20 30 DHEDMN CCCN(Cc1ccc(C#N)cc1)Cc1cc(OC)ccc1OC ZINC000536642814 1030896344 /nfs/dbraw/zinc/89/63/44/1030896344.db2.gz ZOSMHHOAUJAEIA-UHFFFAOYSA-N 0 1 324.424 3.988 20 30 DHEDMN C[C@@H](CC(C)(C)C#N)N[C@H]1CCc2ccccc2-n2ccnc21 ZINC000926739225 1030896670 /nfs/dbraw/zinc/89/66/70/1030896670.db2.gz POBAPHDZHFHTSA-HOCLYGCPSA-N 0 1 308.429 3.778 20 30 DHEDMN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)OC(C)(C)C3)n1 ZINC000870116043 1030923630 /nfs/dbraw/zinc/92/36/30/1030923630.db2.gz BPWUNADJDACHIL-ZDUSSCGKSA-N 0 1 312.394 3.655 20 30 DHEDMN CC(C)(C)[C@@H]1C[C@H]1C(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000870454642 1031008891 /nfs/dbraw/zinc/00/88/91/1031008891.db2.gz 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N#Cc1ccc(CN2CCC[C@]3(C2)OCc2ccccc23)c(F)c1 ZINC000360667817 1031512428 /nfs/dbraw/zinc/51/24/28/1031512428.db2.gz AQSGLXVTQWMGHV-HXUWFJFHSA-N 0 1 322.383 3.719 20 30 DHEDMN Cc1nccnc1[C@@H](C)N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000872134085 1031527956 /nfs/dbraw/zinc/52/79/56/1031527956.db2.gz RBUSAQYKRKNFMD-KDOFPFPSSA-N 0 1 306.413 3.775 20 30 DHEDMN Cc1nccnc1[C@H](C)N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000872134084 1031528769 /nfs/dbraw/zinc/52/87/69/1031528769.db2.gz RBUSAQYKRKNFMD-KBXCAEBGSA-N 0 1 306.413 3.775 20 30 DHEDMN COCCN(CC#Cc1ccc(Cl)cc1)[C@H]1CCCSC1 ZINC000433198298 1031538421 /nfs/dbraw/zinc/53/84/21/1031538421.db2.gz FITRFBWSCCWGFN-KRWDZBQOSA-N 0 1 323.889 3.536 20 30 DHEDMN N=C(Nc1ccc2nnccc2c1)c1ccc2cc(O)ccc2c1 ZINC001171181982 1031577301 /nfs/dbraw/zinc/57/73/01/1031577301.db2.gz GPTYHYNUUNKAGI-UHFFFAOYSA-N 0 1 314.348 3.526 20 30 DHEDMN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CC[C@H](C)CC2)cc1 ZINC000845441710 1031585715 /nfs/dbraw/zinc/58/57/15/1031585715.db2.gz 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C=C(C)C[C@@H](C)C(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000185551583 335139309 /nfs/dbraw/zinc/13/93/09/335139309.db2.gz WZHIQBKUOCGDEW-OAHLLOKOSA-N 0 1 318.486 3.776 20 30 DHEDMN C#CCOc1ccc(CN[C@H](c2ncc[nH]2)C2CCCCC2)cc1 ZINC000296293280 335143002 /nfs/dbraw/zinc/14/30/02/335143002.db2.gz FOKDCIQUNBLVFH-IBGZPJMESA-N 0 1 323.440 3.833 20 30 DHEDMN N#CCCNCC1(c2ccc(Br)cc2Cl)CC1 ZINC000583495650 335145830 /nfs/dbraw/zinc/14/58/30/335145830.db2.gz OIQQGAMJHHZYOF-UHFFFAOYSA-N 0 1 313.626 3.637 20 30 DHEDMN N#CC1(CCN2CCN(c3cccs3)CC2)CCCCC1 ZINC000411316282 333654074 /nfs/dbraw/zinc/65/40/74/333654074.db2.gz LHGDNJGIDTWEDS-UHFFFAOYSA-N 0 1 303.475 3.734 20 30 DHEDMN CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NCCC#N)cc1 ZINC000411552058 333693103 /nfs/dbraw/zinc/69/31/03/333693103.db2.gz AHYGMEBVAPKPJY-ZWKOTPCHSA-N 0 1 302.418 3.669 20 30 DHEDMN N#CCOc1ccc(CN[C@H]2CCc3c2c(F)ccc3F)cc1 ZINC000269794041 334004327 /nfs/dbraw/zinc/00/43/27/334004327.db2.gz AXSXBXPPHUGPSH-KRWDZBQOSA-N 0 1 314.335 3.644 20 30 DHEDMN Cn1cnc2cc(CN[C@@H](CCC#N)c3ccccc3)ccc21 ZINC000271647989 334024966 /nfs/dbraw/zinc/02/49/66/334024966.db2.gz IPJXNRLPUPODMA-KRWDZBQOSA-N 0 1 304.397 3.708 20 30 DHEDMN Cc1nc2c(s1)[C@@H](NC1(c3cccc(C#N)c3)CC1)CCC2 ZINC000272168851 334031375 /nfs/dbraw/zinc/03/13/75/334031375.db2.gz CZUUHRYNSQGOHT-INIZCTEOSA-N 0 1 309.438 3.980 20 30 DHEDMN CC1(C#N)CCN(Cc2ccccc2OCc2cccnc2)CC1 ZINC000272479857 334034996 /nfs/dbraw/zinc/03/49/96/334034996.db2.gz BVLIHANTUDWYAH-UHFFFAOYSA-N 0 1 321.424 3.786 20 30 DHEDMN CCCC[C@@H](ON=C(C)C)C(=O)Nc1cc(C(C)=O)ccc1O ZINC000273518758 334048308 /nfs/dbraw/zinc/04/83/08/334048308.db2.gz NRJIZFBVYJOGAP-MRXNPFEDSA-N 0 1 320.389 3.505 20 30 DHEDMN CC(C)(C#N)CCCCN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000277685393 334090188 /nfs/dbraw/zinc/09/01/88/334090188.db2.gz KVHBONGQZNTMTN-LJQANCHMSA-N 0 1 324.472 3.589 20 30 DHEDMN COc1ccc(Br)cc1CN(C)[C@@H]1CC[C@H](C#N)C1 ZINC000293667167 334200374 /nfs/dbraw/zinc/20/03/74/334200374.db2.gz ZFQJRPCPRWEEFF-SMDDNHRTSA-N 0 1 323.234 3.582 20 30 DHEDMN COc1ccc(Br)cc1CN(C)[C@H](C)CCC#N ZINC000297830802 334244352 /nfs/dbraw/zinc/24/43/52/334244352.db2.gz JWTFUXDXHMTLSO-LLVKDONJSA-N 0 1 311.223 3.582 20 30 DHEDMN C=CCN(CC(F)(F)F)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000120994355 334341150 /nfs/dbraw/zinc/34/11/50/334341150.db2.gz VBGJRBISDMWAAP-UHFFFAOYSA-N 0 1 315.339 3.648 20 30 DHEDMN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](CC)c1ccc(F)cc1F ZINC000341846160 334487040 /nfs/dbraw/zinc/48/70/40/334487040.db2.gz LFWBAYRMLOOKLX-GUYCJALGSA-N 0 1 324.415 3.819 20 30 DHEDMN C=CCC[C@@H](NCc1cnnn1C)c1ccc(C(F)(F)F)cc1 ZINC000345018326 335291558 /nfs/dbraw/zinc/29/15/58/335291558.db2.gz KYLAZJZVSSOTTL-OAHLLOKOSA-N 0 1 324.350 3.631 20 30 DHEDMN CC[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1c(C)nn(C)c1C ZINC000346150514 335382294 /nfs/dbraw/zinc/38/22/94/335382294.db2.gz YKBAMXOGJIAKIH-PIGZYNQJSA-N 0 1 314.408 3.850 20 30 DHEDMN CC(C)[C@@H](NCCCCC(C)(C)C#N)c1nc(C2CC2)no1 ZINC000444684530 338482185 /nfs/dbraw/zinc/48/21/85/338482185.db2.gz MQJKOSSKPICGTR-CQSZACIVSA-N 0 1 304.438 3.954 20 30 DHEDMN C[C@@H](c1nccs1)N1CCN(CCCCC(C)(C)C#N)CC1 ZINC000444691146 338483048 /nfs/dbraw/zinc/48/30/48/338483048.db2.gz XEPYGPSHEBMYQK-HNNXBMFYSA-N 0 1 320.506 3.542 20 30 DHEDMN CCC1(CNC(=O)N2CC[C@H](n3cc(Cl)cn3)C2)CCCC1 ZINC000329604683 336004040 /nfs/dbraw/zinc/00/40/40/336004040.db2.gz LVJQJNNIAXLARF-AWEZNQCLSA-N 0 1 324.856 3.668 20 30 DHEDMN CCCC1CCC([NH+]=C([O-])N2CC[C@H](n3cc(C)cn3)C2)CC1 ZINC000329632530 336020556 /nfs/dbraw/zinc/02/05/56/336020556.db2.gz WJGAPPKRQGOMFA-JCYILVPMSA-N 0 1 318.465 3.711 20 30 DHEDMN C[C@H](C(=O)Nc1ccc(Cl)cc1CC#N)N1CCCCCC1 ZINC000582227659 336029581 /nfs/dbraw/zinc/02/95/81/336029581.db2.gz SBHKJLNDLABBFB-CYBMUJFWSA-N 0 1 319.836 3.609 20 30 DHEDMN CC1=CCN(CCNC(=O)[C@H](C)NC(=O)C2CCCCC2)CC1 ZINC000329721547 336070269 /nfs/dbraw/zinc/07/02/69/336070269.db2.gz NBZXRYDHJOJNGG-HNNXBMFYSA-N 0 1 321.465 3.520 20 30 DHEDMN C[C@@H]1CC[C@H]([NH+]=C([O-])N2CC[C@H](C)[C@H](n3ccnc3)C2)C[C@@H]1C ZINC000329775251 336080584 /nfs/dbraw/zinc/08/05/84/336080584.db2.gz JDTNCHLCMAPXHM-JSRQGNBESA-N 0 1 318.465 3.505 20 30 DHEDMN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000329844150 336088681 /nfs/dbraw/zinc/08/86/81/336088681.db2.gz PSZSZAFQTUOSTH-LRDDRELGSA-N 0 1 311.385 3.537 20 30 DHEDMN CCCN1CCC[C@H]1C(=O)Nc1cnn(C2CCCC2)c1C ZINC000329956668 336099744 /nfs/dbraw/zinc/09/97/44/336099744.db2.gz PCLZBFDVPPQKGG-INIZCTEOSA-N 0 1 304.438 3.769 20 30 DHEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1CCC[C@@]2(CC=CCC2)C1 ZINC000330126766 336115894 /nfs/dbraw/zinc/11/58/94/336115894.db2.gz ITYKTEXYZSCSDP-QAPCUYQASA-N 0 1 314.433 3.523 20 30 DHEDMN CC(C)CC[C@@H]1CCCCN1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000330145168 336117980 /nfs/dbraw/zinc/11/79/80/336117980.db2.gz SAVTWPMPIAJSGH-JKSUJKDBSA-N 0 1 318.465 3.992 20 30 DHEDMN O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N[C@@H]1CCCc2cn[nH]c21 ZINC000330160661 336119311 /nfs/dbraw/zinc/11/93/11/336119311.db2.gz SGLQKQMYFITFKT-SJXGUFTOSA-N 0 1 316.449 3.650 20 30 DHEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cccc3c2CCC3)n[nH]1 ZINC000330197626 336123204 /nfs/dbraw/zinc/12/32/04/336123204.db2.gz SBCKMTQHPPZZBE-NWDGAFQWSA-N 0 1 312.417 3.873 20 30 DHEDMN C=CC[C@H]1N(Cc2nc(-c3ccoc3)no2)CCCC1(C)C ZINC000332081877 336157608 /nfs/dbraw/zinc/15/76/08/336157608.db2.gz NDZKTCUUAYFOPF-CQSZACIVSA-N 0 1 301.390 3.896 20 30 DHEDMN CCS[C@@H]1CCCCN([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000332232120 336164257 /nfs/dbraw/zinc/16/42/57/336164257.db2.gz PEIHTCBHWOSHDY-HZPDHXFCSA-N 0 1 317.458 3.742 20 30 DHEDMN C=CC[C@@H]1N(C(=O)c2ccc(-c3nnc[nH]3)cc2)CCCC1(C)C ZINC000332484791 336172894 /nfs/dbraw/zinc/17/28/94/336172894.db2.gz XSKUULCQFKTTAJ-INIZCTEOSA-N 0 1 324.428 3.679 20 30 DHEDMN CO[C@@H](CNCc1ccc(C#N)cc1F)c1cccc(Cl)c1 ZINC000532567239 336255878 /nfs/dbraw/zinc/25/58/78/336255878.db2.gz HANAYZJFHMXXNC-KRWDZBQOSA-N 0 1 318.779 3.828 20 30 DHEDMN N#Cc1csc(CNC2CC(c3ccc(Cl)cc3)C2)n1 ZINC000352863493 336283008 /nfs/dbraw/zinc/28/30/08/336283008.db2.gz VJBWGGLJEIYLAZ-UHFFFAOYSA-N 0 1 303.818 3.704 20 30 DHEDMN CC(=O)c1ccc(C#N)cc1NC[C@H](c1ccco1)N1CCCC1 ZINC000302051191 336345678 /nfs/dbraw/zinc/34/56/78/336345678.db2.gz NYLJKVLXUOSISQ-GOSISDBHSA-N 0 1 323.396 3.603 20 30 DHEDMN Cc1ccc([C@@H](CNc2c(C#N)cccc2C#N)N2CCCC2)o1 ZINC000302902552 336373854 /nfs/dbraw/zinc/37/38/54/336373854.db2.gz UEXXRENZVACKFA-QGZVFWFLSA-N 0 1 320.396 3.580 20 30 DHEDMN CSCc1ccc(CNCc2ccc(C#N)cc2F)cc1 ZINC000353095016 336402353 /nfs/dbraw/zinc/40/23/53/336402353.db2.gz WKUKOFQKODWDHW-UHFFFAOYSA-N 0 1 300.402 3.850 20 30 DHEDMN COc1cc(CNCc2ccc(Cl)c(F)c2)ccc1C#N ZINC000353238913 336407613 /nfs/dbraw/zinc/40/76/13/336407613.db2.gz GDRNXLPUDGHSPG-UHFFFAOYSA-N 0 1 304.752 3.649 20 30 DHEDMN N#Cc1ccc2c(c1)[C@H](N[C@H]1CCOc3c(F)cccc31)CC2 ZINC000353599244 336427928 /nfs/dbraw/zinc/42/79/28/336427928.db2.gz WNQKAUUXDBXACW-MSOLQXFVSA-N 0 1 308.356 3.798 20 30 DHEDMN N#Cc1ccc2c(c1)[C@@H](NCc1ccc3c(n1)CCCC3)CC2 ZINC000353638362 336430615 /nfs/dbraw/zinc/43/06/15/336430615.db2.gz QVXJIDRWDDHUNO-FQEVSTJZSA-N 0 1 303.409 3.609 20 30 DHEDMN N#CC1(c2ccccn2)CCN(Cc2ccc3occc3c2)CC1 ZINC000367316252 336638583 /nfs/dbraw/zinc/63/85/83/336638583.db2.gz CIHJMZIGVCJHLS-UHFFFAOYSA-N 0 1 317.392 3.885 20 30 DHEDMN CC[C@H](COC)N[C@@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000370661726 336890075 /nfs/dbraw/zinc/89/00/75/336890075.db2.gz HIGVKQPJWYHMAL-SWLSCSKDSA-N 0 1 315.442 3.757 20 30 DHEDMN Cc1ccc(NC(=O)C[C@@H](C)NCC2(C#N)CCC2)cc1Cl ZINC000418137717 336897400 /nfs/dbraw/zinc/89/74/00/336897400.db2.gz FDPNZLLPBLEZTL-CYBMUJFWSA-N 0 1 319.836 3.649 20 30 DHEDMN C[C@@H](c1ccc(C#N)cc1)N1CCC(C#N)(c2ccccn2)CC1 ZINC000374296665 336986320 /nfs/dbraw/zinc/98/63/20/336986320.db2.gz XDVHMIVLOQRIFS-INIZCTEOSA-N 0 1 316.408 3.572 20 30 DHEDMN C=CCOc1ccc(CN2CCC3(CCO3)CC2)cc1Cl ZINC000374329762 336987449 /nfs/dbraw/zinc/98/74/49/336987449.db2.gz KTJLSGUSLXCFRK-UHFFFAOYSA-N 0 1 307.821 3.660 20 30 DHEDMN C[C@@H](NCc1cnn(C)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000374691230 336995122 /nfs/dbraw/zinc/99/51/22/336995122.db2.gz CQMVBOHOOLPSOJ-OAHLLOKOSA-N 0 1 316.408 3.810 20 30 DHEDMN CCCCCCCCC(=O)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000375237203 337006304 /nfs/dbraw/zinc/00/63/04/337006304.db2.gz MSDCMTKLIIZWIM-KRWDZBQOSA-N 0 1 314.433 3.761 20 30 DHEDMN CC(C)Oc1cc(CN(Cc2ccc(C#N)cc2)C2CC2)ccn1 ZINC000122409729 337008049 /nfs/dbraw/zinc/00/80/49/337008049.db2.gz KRDBSGNBGLGEMH-UHFFFAOYSA-N 0 1 321.424 3.905 20 30 DHEDMN N#Cc1ccc([C@H](O)CN2CCC(=Cc3ccccc3)CC2)cc1 ZINC000305063820 337012141 /nfs/dbraw/zinc/01/21/41/337012141.db2.gz HPHARRLESKBSLE-OAQYLSRUSA-N 0 1 318.420 3.771 20 30 DHEDMN C[C@@H]1N(Cc2ccc(Cl)cc2C#N)CCC12CCOCC2 ZINC000376938684 337043814 /nfs/dbraw/zinc/04/38/14/337043814.db2.gz CQEIGAXPFGVQNH-ZDUSSCGKSA-N 0 1 304.821 3.603 20 30 DHEDMN CCN(Cc1ccccc1C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000583696292 337050519 /nfs/dbraw/zinc/05/05/19/337050519.db2.gz MVXQMIHCWCDMQE-UHFFFAOYSA-N 0 1 309.369 3.797 20 30 DHEDMN CC(C)c1nccn1C[C@H]1CCCN1Cc1ccccc1C#N ZINC000377713377 337059397 /nfs/dbraw/zinc/05/93/97/337059397.db2.gz WHFGDZZGJUKIPP-GOSISDBHSA-N 0 1 308.429 3.543 20 30 DHEDMN CCOc1cc(Cl)ccc1C(=O)C(C#N)c1nc(C)cs1 ZINC000181390440 337181924 /nfs/dbraw/zinc/18/19/24/337181924.db2.gz DPVRUCQFTNRAFG-GFCCVEGCSA-N 0 1 320.801 3.994 20 30 DHEDMN N#CC(C(=O)c1cc2c(s1)CCC2)c1cnc2ccccc2n1 ZINC000190942570 337291621 /nfs/dbraw/zinc/29/16/21/337291621.db2.gz RHFICXJLHIFJHW-GFCCVEGCSA-N 0 1 319.389 3.670 20 30 DHEDMN COc1ccc2oc([C@H](C)NCc3cc(C#N)n(C)c3)c(C)c2c1 ZINC000190980094 337291945 /nfs/dbraw/zinc/29/19/45/337291945.db2.gz SWUMTDPHKCZGFA-ZDUSSCGKSA-N 0 1 323.396 3.811 20 30 DHEDMN CCOc1ccccc1C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000190998857 337292177 /nfs/dbraw/zinc/29/21/77/337292177.db2.gz ZPSXAXPVXQYJKU-AWEZNQCLSA-N 0 1 317.348 3.519 20 30 DHEDMN CCOc1ccccc1C(=O)[C@@H](C#N)c1cnc2ccccc2n1 ZINC000190998857 337292178 /nfs/dbraw/zinc/29/21/78/337292178.db2.gz ZPSXAXPVXQYJKU-AWEZNQCLSA-N 0 1 317.348 3.519 20 30 DHEDMN CCOc1ccc([C@@H]2CCCN2Cc2cc(C#N)n(C)c2)cc1 ZINC000191190954 337294484 /nfs/dbraw/zinc/29/44/84/337294484.db2.gz DQDCAWIAMYDXCR-IBGZPJMESA-N 0 1 309.413 3.633 20 30 DHEDMN Cc1ccc(C)c(OC2CCN(Cc3cc(C#N)n(C)c3)CC2)c1 ZINC000191269255 337295271 /nfs/dbraw/zinc/29/52/71/337295271.db2.gz JSYIKHMCYVJTPY-UHFFFAOYSA-N 0 1 323.440 3.557 20 30 DHEDMN COc1cccc(OC)c1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000419846936 337492802 /nfs/dbraw/zinc/49/28/02/337492802.db2.gz SFDZKRIKKGBAFN-SFHVURJKSA-N 0 1 322.408 3.743 20 30 DHEDMN COC[C@H](NCc1ccc(CC#N)cc1)c1cccc(Cl)c1 ZINC000571716910 337572488 /nfs/dbraw/zinc/57/24/88/337572488.db2.gz POZSIJFMYQNSSF-SFHVURJKSA-N 0 1 314.816 3.883 20 30 DHEDMN CCN(CC)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000078574274 337601926 /nfs/dbraw/zinc/60/19/26/337601926.db2.gz LJRVAZSKOKRCBD-GFCCVEGCSA-N 0 1 319.474 3.557 20 30 DHEDMN C=CCOc1ccccc1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000572327732 337608817 /nfs/dbraw/zinc/60/88/17/337608817.db2.gz VXMJHDCNENKLKC-LJQANCHMSA-N 0 1 304.393 3.900 20 30 DHEDMN C#CCOc1ccc(CN[C@@H](CC(C)C)c2ccccn2)cc1 ZINC000268798407 337635413 /nfs/dbraw/zinc/63/54/13/337635413.db2.gz PALUDYJGYDXTHE-FQEVSTJZSA-N 0 1 308.425 3.971 20 30 DHEDMN N#C[C@H]1CC[C@@H](N[C@H]2CCc3c2c(Br)ccc3F)C1 ZINC000424336448 337822761 /nfs/dbraw/zinc/82/27/61/337822761.db2.gz YAVLAXYSXWDDKD-RBZYPMLTSA-N 0 1 323.209 3.857 20 30 DHEDMN COc1ccc(C2(NCC#Cc3cccc(Cl)c3)CC2)cc1 ZINC000537059395 337883178 /nfs/dbraw/zinc/88/31/78/337883178.db2.gz GMAWFINTYHAQQP-UHFFFAOYSA-N 0 1 311.812 3.979 20 30 DHEDMN C=CCN(CC=C)C(=O)CSc1nc2ccc(Cl)cc2[nH]1 ZINC000004484923 338002732 /nfs/dbraw/zinc/00/27/32/338002732.db2.gz DLLQFTVNYXXRFN-UHFFFAOYSA-N 0 1 321.833 3.509 20 30 DHEDMN C=C[C@H]1CCCCN1Cc1cc2c(cc1SC)OCCO2 ZINC000426557231 338034746 /nfs/dbraw/zinc/03/47/46/338034746.db2.gz DVIAGAJAKJMZFC-AWEZNQCLSA-N 0 1 305.443 3.720 20 30 DHEDMN COc1ccc([C@H]2CCN(Cc3cccc(F)c3C#N)C2)cc1 ZINC000428399483 338050127 /nfs/dbraw/zinc/05/01/27/338050127.db2.gz HRJIIJORCRJHDE-HNNXBMFYSA-N 0 1 310.372 3.695 20 30 DHEDMN N#Cc1c(F)cccc1CN1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000428960022 338066783 /nfs/dbraw/zinc/06/67/83/338066783.db2.gz ZNSGCCYHEDUKGU-IPELMVKDSA-N 0 1 316.420 3.603 20 30 DHEDMN C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1CCCCC(C)(C)C#N ZINC000429396199 338079456 /nfs/dbraw/zinc/07/94/56/338079456.db2.gz ATLVOQHVZCMCDZ-HOTGVXAUSA-N 0 1 321.509 3.674 20 30 DHEDMN C=CCCS(=O)(=O)Nc1cc(F)ccc1Oc1ccccc1 ZINC000431187029 338125352 /nfs/dbraw/zinc/12/53/52/338125352.db2.gz LXCRCICWDKYQQE-UHFFFAOYSA-N 0 1 321.373 3.936 20 30 DHEDMN C=CCOc1cccc(NC(=O)c2ccc(Cl)cc2O)c1 ZINC000436710706 338283675 /nfs/dbraw/zinc/28/36/75/338283675.db2.gz XTIKZRSMDFZXEF-UHFFFAOYSA-N 0 1 303.745 3.863 20 30 DHEDMN N#CC1(CN2CCC(c3cccc(Br)c3)CC2)CC1 ZINC000439332415 338367695 /nfs/dbraw/zinc/36/76/95/338367695.db2.gz RPFHXYZLEYPHDL-UHFFFAOYSA-N 0 1 319.246 3.932 20 30 DHEDMN COc1cc(CNCc2oc3ccccc3c2C)ccc1C#N ZINC000440827003 338398252 /nfs/dbraw/zinc/39/82/52/338398252.db2.gz WRKBBIUDRTWESK-UHFFFAOYSA-N 0 1 306.365 3.911 20 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DLQXBOVKWSDLIW-UHFFFAOYSA-N 0 1 306.818 3.784 20 30 DHEDMN CCCN(Cc1ccc(C#N)cc1)Cc1ccccc1C(=O)OC ZINC000508599167 340247374 /nfs/dbraw/zinc/24/73/74/340247374.db2.gz KYWGHYZWJWHRNL-UHFFFAOYSA-N 0 1 322.408 3.757 20 30 DHEDMN C=C(C)CN(CCO[C@H]1CCCC[C@@H]1C)Cc1ccc(CO)o1 ZINC000512197532 340351846 /nfs/dbraw/zinc/35/18/46/340351846.db2.gz RAVDCQJPVQMGNY-LPHOPBHVSA-N 0 1 321.461 3.745 20 30 DHEDMN C[C@H](NCCO[C@@H]1CCCC[C@H]1C)c1ccc(C#N)cc1F ZINC000512674759 340372419 /nfs/dbraw/zinc/37/24/19/340372419.db2.gz YRVFOWWNJAZLDP-QWQRMKEZSA-N 0 1 304.409 3.943 20 30 DHEDMN C=CCCC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000522601046 340605430 /nfs/dbraw/zinc/60/54/30/340605430.db2.gz XGSBJUZPBRUDQU-INIZCTEOSA-N 0 1 306.837 3.559 20 30 DHEDMN COc1ccc([C@H](C)NCc2ccc(C#N)cc2C)c(OC)c1 ZINC000528669199 340728920 /nfs/dbraw/zinc/72/89/20/340728920.db2.gz LQLULEOEBCEHHB-AWEZNQCLSA-N 0 1 310.397 3.735 20 30 DHEDMN CC(C)CCN(CCC(C)C)C(=O)CN1CCC(CC#N)CC1 ZINC000542882422 341024989 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C[N@@H+](CCCCC#N)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000737438528 599770755 /nfs/dbraw/zinc/77/07/55/599770755.db2.gz UQAPOLVPNLUPES-CYBMUJFWSA-N 0 1 315.200 3.745 20 30 DHEDMN CC[N@@H+](CCC(=O)[O-])Cc1ccc(-c2ccccc2C#N)cc1 ZINC000737096852 600090271 /nfs/dbraw/zinc/09/02/71/600090271.db2.gz QKAXBQQRAWUFDJ-UHFFFAOYSA-N 0 1 308.381 3.522 20 30 DHEDMN C=CCCC[N@H+](C)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000580085715 600831879 /nfs/dbraw/zinc/83/18/79/600831879.db2.gz QAZKJHFSJYXODL-UHFFFAOYSA-N 0 1 316.426 3.906 20 30 DHEDMN N#Cc1cccc([C@H](C(=O)[O-])[N@H+]2CCCC3(CCCCC3)C2)c1 ZINC000833073933 601318495 /nfs/dbraw/zinc/31/84/95/601318495.db2.gz KMFBLXREIXBDOE-QGZVFWFLSA-N 0 1 312.413 3.730 20 30 DHEDMN C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000828150840 601328843 /nfs/dbraw/zinc/32/88/43/601328843.db2.gz RHQGFZIOHBSRKP-ZMYBRWDISA-N 0 1 320.392 3.562 20 30 DHEDMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000828029354 601929716 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1020373137 /nfs/dbraw/zinc/37/31/37/1020373137.db2.gz DMLCVMYVCBXPSG-UHFFFAOYSA-N 0 1 300.427 3.875 20 30 DHEDMN C#CCOc1ccc(CN[C@@H](C)c2cc(F)c(F)c(F)c2)cc1 ZINC000733328096 1020373950 /nfs/dbraw/zinc/37/39/50/1020373950.db2.gz NDVIXEGTFDSNHZ-LBPRGKRZSA-N 0 1 319.326 3.967 20 30 DHEDMN C#CCOc1ccc(CN[C@@H]2CCOc3c(CC)cccc32)cc1 ZINC000733328488 1020375755 /nfs/dbraw/zinc/37/57/55/1020375755.db2.gz SHJJBDNMOUSSNE-HXUWFJFHSA-N 0 1 321.420 3.874 20 30 DHEDMN COc1ccc([C@H](NCc2ccc(C#N)cc2OC)C2CC2)cc1 ZINC000179683902 1020435037 /nfs/dbraw/zinc/43/50/37/1020435037.db2.gz QIRQLYYYFUNVNA-HXUWFJFHSA-N 0 1 322.408 3.816 20 30 DHEDMN CC(=NNc1cnnc2ccccc21)c1c(C)nn(C(C)C)c1C ZINC000733748003 1020437041 /nfs/dbraw/zinc/43/70/41/1020437041.db2.gz BCUJYOHLJNQDJK-UHFFFAOYSA-N 0 1 322.416 3.860 20 30 DHEDMN Cc1c(C#N)cccc1C(=O)C(C#N)c1nccc2ccccc21 ZINC000338687987 1020471141 /nfs/dbraw/zinc/47/11/41/1020471141.db2.gz JQABDIRMXWQWMX-GOSISDBHSA-N 0 1 311.344 3.905 20 30 DHEDMN C[C@H](c1ccc(C#N)cc1)N1CCO[C@]2(CCc3ccccc32)C1 ZINC000159630070 1020484561 /nfs/dbraw/zinc/48/45/61/1020484561.db2.gz VREKVGHCLIXOKZ-IIBYNOLFSA-N 0 1 318.420 3.793 20 30 DHEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H](C)CC1CCCC1 ZINC000734079005 1020557537 /nfs/dbraw/zinc/55/75/37/1020557537.db2.gz IZUQYRZATLMUGO-GOEBONIOSA-N 0 1 306.450 3.608 20 30 DHEDMN Fc1cc(F)c(NN=Cc2ccc(-n3ccnc3)cc2)cc1F ZINC000734302874 1020583284 /nfs/dbraw/zinc/58/32/84/1020583284.db2.gz SUOLMCUIUHTKCU-UHFFFAOYSA-N 0 1 316.286 3.736 20 30 DHEDMN CCN(CCCC(=O)Nc1c(C)cc(C)cc1C)C[C@H](C)C#N ZINC000136666654 1020583455 /nfs/dbraw/zinc/58/34/55/1020583455.db2.gz NMGOUSMHCRMKOR-OAHLLOKOSA-N 0 1 315.461 3.812 20 30 DHEDMN C=CCN(CCc1ccccc1)Cc1cc(C)c(C(=O)OC)o1 ZINC000065959514 1020604918 /nfs/dbraw/zinc/60/49/18/1020604918.db2.gz BDRRYCNOMCUYKN-UHFFFAOYSA-N 0 1 313.397 3.605 20 30 DHEDMN CCN(Cc1cccc2c1OCCO2)[C@@H](C)c1ccc(C#N)cc1 ZINC000058907865 1020640641 /nfs/dbraw/zinc/64/06/41/1020640641.db2.gz CVWJNMKPRBASCN-HNNXBMFYSA-N 0 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TTZXMKFLEOWQNJ-KRWDZBQOSA-N 0 1 300.446 3.838 20 30 DHEDMN CC(C)(C#N)CCCOC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000924080442 1020861368 /nfs/dbraw/zinc/86/13/68/1020861368.db2.gz VEJPUBIFKZZIAM-UHFFFAOYSA-N 0 1 321.327 3.987 20 30 DHEDMN C[C@@H]1CO[C@@H](C(=O)C(C#N)c2nc3cc(Cl)ccc3s2)C1 ZINC000892538566 1020902602 /nfs/dbraw/zinc/90/26/02/1020902602.db2.gz NDFDACSSBLLWPG-PTOFAABTSA-N 0 1 320.801 3.551 20 30 DHEDMN Cc1ccc(NC(=O)CN[C@H](C)CC(C)(C)C#N)c(Cl)c1 ZINC000926740526 1020911299 /nfs/dbraw/zinc/91/12/99/1020911299.db2.gz ZXHKOACSXZZNNU-GFCCVEGCSA-N 0 1 307.825 3.505 20 30 DHEDMN C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1cc2n(n1)CCC2 ZINC000414140171 1020933224 /nfs/dbraw/zinc/93/32/24/1020933224.db2.gz LFTQUZVHUOXJHH-CRAIPNDOSA-N 0 1 308.429 3.915 20 30 DHEDMN C=CCCCON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000740872439 1020956876 /nfs/dbraw/zinc/95/68/76/1020956876.db2.gz NRUCQTWCTQAXHL-UHFFFAOYSA-N 0 1 303.362 3.512 20 30 DHEDMN CCCCCCCN1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC000740875008 1020958099 /nfs/dbraw/zinc/95/80/99/1020958099.db2.gz XQZUVHMGJNYGAG-HNNXBMFYSA-N 0 1 307.434 3.523 20 30 DHEDMN C#Cc1cccc(NC(=O)[C@H]2CCCCN2Cc2ccccc2)c1 ZINC000741143914 1020986276 /nfs/dbraw/zinc/98/62/76/1020986276.db2.gz ABJDDQKBBINNEM-HXUWFJFHSA-N 0 1 318.420 3.661 20 30 DHEDMN COc1ncc([C@@H](C)NCc2ccc(C)c(C#N)c2)cc1Cl ZINC000926961256 1032944367 /nfs/dbraw/zinc/94/43/67/1032944367.db2.gz IWCXKJDCXFHOJB-GFCCVEGCSA-N 0 1 315.804 3.775 20 30 DHEDMN CC(=NNCCN1CCCCC1)c1cccc(-c2ccncc2)c1 ZINC000741462166 1021008700 /nfs/dbraw/zinc/00/87/00/1021008700.db2.gz ZGJPNMDRYRXJTJ-UHFFFAOYSA-N 0 1 322.456 3.548 20 30 DHEDMN C[C@@H]1C[C@H](/N=C\c2cc(Cl)cc(Cl)c2[O-])CC[N@H+]1C ZINC000741465065 1021008820 /nfs/dbraw/zinc/00/88/20/1021008820.db2.gz SOJKUMJSJPVBIX-CAHKYLNKSA-N 0 1 301.217 3.601 20 30 DHEDMN Cn1c2ccccc2[nH+]c1[N-]N=Cc1cc2cc(F)ccc2o1 ZINC000741761005 1021046631 /nfs/dbraw/zinc/04/66/31/1021046631.db2.gz HJNVQJWATSCGOG-UHFFFAOYSA-N 0 1 308.316 3.905 20 30 DHEDMN COc1ccc(CN2CC[C@H](c3ccc(F)cc3)C2)c(C#N)c1 ZINC001137704670 1021060413 /nfs/dbraw/zinc/06/04/13/1021060413.db2.gz PJZCMOQOGYLGBT-INIZCTEOSA-N 0 1 310.372 3.695 20 30 DHEDMN C=CCN(CCc1ccccc1)CC[S@@](=O)c1ccccc1 ZINC000104679194 1021144393 /nfs/dbraw/zinc/14/43/93/1021144393.db2.gz KCFDVHJHKTWKSJ-QFIPXVFZSA-N 0 1 313.466 3.525 20 30 DHEDMN CC(C)N(C)CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000742804068 1021167152 /nfs/dbraw/zinc/16/71/52/1021167152.db2.gz IAKCFNWLNJXSOI-LJQANCHMSA-N 0 1 321.424 3.621 20 30 DHEDMN COc1ccc2oc(CNCc3ccc(OC)c(C#N)c3)cc2c1 ZINC000763496107 1021224508 /nfs/dbraw/zinc/22/45/08/1021224508.db2.gz BXMDPURUUXFHLR-UHFFFAOYSA-N 0 1 322.364 3.611 20 30 DHEDMN C=C(C)COc1cc(CNc2cccc3[nH]nnc32)ccc1OC ZINC001202466261 1021263961 /nfs/dbraw/zinc/26/39/61/1021263961.db2.gz LACXXOIHNBGDEG-UHFFFAOYSA-N 0 1 324.384 3.534 20 30 DHEDMN Fc1cccc(N=NCc2cnn(Cc3ccccc3)c2)c1F ZINC000743442855 1021292068 /nfs/dbraw/zinc/29/20/68/1021292068.db2.gz JNULCRLLFCJDEB-UHFFFAOYSA-N 0 1 312.323 3.656 20 30 DHEDMN CCCC(=O)Nc1cccc(CNCc2ccc(C#N)c(C)c2)c1 ZINC000618191286 1021322018 /nfs/dbraw/zinc/32/20/18/1021322018.db2.gz OTTREEXEONQBSS-UHFFFAOYSA-N 0 1 321.424 3.895 20 30 DHEDMN CCOc1ccc2c(c1)[C@@H](NCc1ccc(C#N)c(C)c1)CCO2 ZINC000618196510 1021322404 /nfs/dbraw/zinc/32/24/04/1021322404.db2.gz QBHHEXVJNZBRNE-IBGZPJMESA-N 0 1 322.408 3.879 20 30 DHEDMN N#Cc1ccc(CN(Cc2cccs2)C[C@H]2CCCO2)cc1 ZINC000066696074 1021326020 /nfs/dbraw/zinc/32/60/20/1021326020.db2.gz RONBVDWYOVPOAY-QGZVFWFLSA-N 0 1 312.438 3.801 20 30 DHEDMN C=C(Br)CN[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000181875141 1021377759 /nfs/dbraw/zinc/37/77/59/1021377759.db2.gz WLJZBGPCJUFZDS-ZDUSSCGKSA-N 0 1 309.251 3.846 20 30 DHEDMN CC(=[NH+][N-]c1ncnc2sccc21)c1ccc(N)cc1Cl ZINC000782900912 1021395438 /nfs/dbraw/zinc/39/54/38/1021395438.db2.gz DRXPAZIIQGKRFD-UHFFFAOYSA-N 0 1 317.805 3.763 20 30 DHEDMN CC(C)(C)c1cnc([C@@H](C#N)C(=O)CCc2ccncc2)s1 ZINC000797567860 1021473578 /nfs/dbraw/zinc/47/35/78/1021473578.db2.gz MUGHTOJGEFUFLL-ZDUSSCGKSA-N 0 1 313.426 3.645 20 30 DHEDMN C=C(CNC(=O)c1ccc(CN2CCCCC2)o1)c1ccccc1 ZINC000935985592 1021541563 /nfs/dbraw/zinc/54/15/63/1021541563.db2.gz LPNUITBAPBQQSJ-UHFFFAOYSA-N 0 1 324.424 3.709 20 30 DHEDMN CO[C@@H](C(=O)C(C#N)c1nc2ccccc2s1)C1CCCC1 ZINC000850738795 1021631348 /nfs/dbraw/zinc/63/13/48/1021631348.db2.gz FRJSEAWZXDUEQH-BLLLJJGKSA-N 0 1 314.410 3.678 20 30 DHEDMN Cc1csc([C@@H](C#N)C(=O)CC[C@H]2CC2(Cl)Cl)n1 ZINC000850735928 1021632296 /nfs/dbraw/zinc/63/22/96/1021632296.db2.gz FKLNVQGDOVIWEP-IUCAKERBSA-N 0 1 303.214 3.602 20 30 DHEDMN COc1ccc(OC)c([C@H](C)NCC#Cc2ccc(F)cc2)c1 ZINC000181957762 1021645219 /nfs/dbraw/zinc/64/52/19/1021645219.db2.gz ULZTZVXKDKDEKO-AWEZNQCLSA-N 0 1 313.372 3.545 20 30 DHEDMN N#C[C@H]1CC[C@H](NCc2c(Cl)cccc2OC(F)F)C1 ZINC000613660966 1021656933 /nfs/dbraw/zinc/65/69/33/1021656933.db2.gz NDWZYTDLWUGVDF-UWVGGRQHSA-N 0 1 300.736 3.723 20 30 DHEDMN C[C@@H]1C[C@@H](NN=Cc2cc(Cl)c(O)cc2Cl)C[C@H](C)O1 ZINC000901305851 1021677373 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CC(C)(C#N)CNCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809640295 1026581113 /nfs/dbraw/zinc/58/11/13/1026581113.db2.gz VFNIHDVZQJEEOJ-UHFFFAOYSA-N 0 1 319.452 3.889 20 30 DHEDMN C#CCN(Cc1ccccc1)Cc1ccc(N(C)CCC#N)cc1 ZINC000809715905 1026601375 /nfs/dbraw/zinc/60/13/75/1026601375.db2.gz HVKHHRIIDFLNIW-UHFFFAOYSA-N 0 1 317.436 3.672 20 30 DHEDMN CCCCCCC[C@H](C)N[C@H]1CS(=O)(=O)c2ccccc21 ZINC000809754506 1026615848 /nfs/dbraw/zinc/61/58/48/1026615848.db2.gz CZKHEPUTADXNCW-HOCLYGCPSA-N 0 1 309.475 3.854 20 30 DHEDMN C[C@H](C#N)Oc1ccc(CN(Cc2cccnc2)C2CC2)cc1 ZINC000809763485 1026619669 /nfs/dbraw/zinc/61/96/69/1026619669.db2.gz NXXMGJAUGCUIHZ-OAHLLOKOSA-N 0 1 307.397 3.537 20 30 DHEDMN C#C[C@H](NCc1nc2cc(C(F)(F)F)ccc2n1C)C(C)(C)C ZINC000809781271 1026622092 /nfs/dbraw/zinc/62/20/92/1026622092.db2.gz MVSOBTOIWJUVIB-AWEZNQCLSA-N 0 1 323.362 3.730 20 30 DHEDMN CCCCCCCC[N@@H+]1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810067418 1026678039 /nfs/dbraw/zinc/67/80/39/1026678039.db2.gz VRJICTDJDHNBOA-CQSZACIVSA-N 0 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OZBPNQJFAPKZRI-UHFFFAOYSA-N 0 1 324.428 3.615 20 30 DHEDMN C[C@@H](N(C)CC(=O)Nc1cc(Cl)ccc1C#N)C(C)(C)C ZINC000533249026 1030221632 /nfs/dbraw/zinc/22/16/32/1030221632.db2.gz GLIYPIAQRKPGGR-LLVKDONJSA-N 0 1 307.825 3.517 20 30 DHEDMN C[C@@H](N[C@@H](C)c1ccnn1CC1CCC1)c1cccc(C#N)c1 ZINC000925185823 1030295986 /nfs/dbraw/zinc/29/59/86/1030295986.db2.gz PLGVVEXEQTUGKJ-CABCVRRESA-N 0 1 308.429 3.967 20 30 DHEDMN C[C@](C#N)(NC(=O)c1ccc(O)c(Cl)c1)C1CCCCC1 ZINC001136826378 1030478289 /nfs/dbraw/zinc/47/82/89/1030478289.db2.gz PJFKDGBEEDQIQY-MRXNPFEDSA-N 0 1 306.793 3.638 20 30 DHEDMN C(=NNc1cncnc1)c1ccccc1OCc1ccccc1 ZINC000794978216 1030500190 /nfs/dbraw/zinc/50/01/90/1030500190.db2.gz CHHRCKAODDFXDF-UHFFFAOYSA-N 0 1 304.353 3.502 20 30 DHEDMN C[C@@H](NCc1ccnc(N2CCCC2)c1)c1ccc(C#N)cc1F ZINC000358551381 1030533025 /nfs/dbraw/zinc/53/30/25/1030533025.db2.gz AYRSHHGIWUPNPX-CQSZACIVSA-N 0 1 324.403 3.543 20 30 DHEDMN C[C@H](NC1(c2cccc(C#N)c2)CC1)c1cccc2c1OCO2 ZINC000925927198 1030549106 /nfs/dbraw/zinc/54/91/06/1030549106.db2.gz YVDWUTUKRHEWFI-ZDUSSCGKSA-N 0 1 306.365 3.627 20 30 DHEDMN C[C@@H](NCc1ccc(C#N)cc1F)[C@@H]1OCCc2sccc21 ZINC000291731748 1030623076 /nfs/dbraw/zinc/62/30/76/1030623076.db2.gz NWPXECHDVPWWMS-DIFFPNOSSA-N 0 1 316.401 3.551 20 30 DHEDMN CCc1nc(CSc2nc(-c3ccccc3)ccc2C#N)n[nH]1 ZINC000358779192 1030626004 /nfs/dbraw/zinc/62/60/04/1030626004.db2.gz JGSFWUOJBHKUQC-UHFFFAOYSA-N 0 1 321.409 3.593 20 30 DHEDMN N#Cc1cccc(C2CCN(Cc3cncc(Cl)c3)CC2)c1 ZINC001136995479 1030738796 /nfs/dbraw/zinc/73/87/96/1030738796.db2.gz MZKHOLYUWRQNPF-UHFFFAOYSA-N 0 1 311.816 3.986 20 30 DHEDMN COc1ncc(CN2CCC(C#Cc3ccccc3)CC2)cc1C ZINC001137009942 1030759891 /nfs/dbraw/zinc/75/98/91/1030759891.db2.gz XNZWMGLUNRWOFF-UHFFFAOYSA-N 0 1 320.436 3.662 20 30 DHEDMN CC(C)c1ccc(NC(=O)CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000558743357 1030763006 /nfs/dbraw/zinc/76/30/06/1030763006.db2.gz UZFABJVORFELHC-HNNXBMFYSA-N 0 1 321.424 3.971 20 30 DHEDMN C#CCOc1ccc(CN[C@H](C)c2ccnn2CC2CCC2)cc1 ZINC000926530799 1030782347 /nfs/dbraw/zinc/78/23/47/1030782347.db2.gz PPPWPYVEEZDWSK-MRXNPFEDSA-N 0 1 323.440 3.546 20 30 DHEDMN C#CCOc1ccc(CN[C@@H]2CCc3c2nccc3Cl)cc1 ZINC000926529001 1030783191 /nfs/dbraw/zinc/78/31/91/1030783191.db2.gz BGCHQHQEOLWNQX-QGZVFWFLSA-N 0 1 312.800 3.524 20 30 DHEDMN CCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC(C)(C)C1 ZINC001171087257 1030798510 /nfs/dbraw/zinc/79/85/10/1030798510.db2.gz OLDZZQRIJMLBJT-UHFFFAOYSA-N 0 1 319.836 3.661 20 30 DHEDMN C[C@H](CC(C)(C)C#N)NCc1cc(F)ccc1OC(F)F ZINC000926728111 1030889004 /nfs/dbraw/zinc/88/90/04/1030889004.db2.gz PAAHQNANGZCSHT-SNVBAGLBSA-N 0 1 300.324 3.845 20 30 DHEDMN C#C[C@H]1CC[C@H](N[C@@H](c2ccccn2)c2ccccc2OC)CC1 ZINC000926840002 1030948608 /nfs/dbraw/zinc/94/86/08/1030948608.db2.gz PFQOKYPNSZSNGS-CBGDNZLLSA-N 0 1 320.436 3.961 20 30 DHEDMN CC(C)(C#N)CC[N@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000844377059 1031105593 /nfs/dbraw/zinc/10/55/93/1031105593.db2.gz VIDBGSLUPSXZTE-KRWDZBQOSA-N 0 1 306.837 3.563 20 30 DHEDMN COc1ccc(Cl)c2c1CCC[C@@H]2N(C)CCO[C@H](C)C#N ZINC000844443044 1031144981 /nfs/dbraw/zinc/14/49/81/1031144981.db2.gz HVRLPLUCUVZHNL-DOMZBBRYSA-N 0 1 322.836 3.586 20 30 DHEDMN CC(C)c1ccc(C=C2CCc3c(C#N)c(=O)[nH]cc3C2=O)cc1 ZINC000844554362 1031210686 /nfs/dbraw/zinc/21/06/86/1031210686.db2.gz KRWVMOXCAAYZNG-DHDCSXOGSA-N 0 1 318.376 3.995 20 30 DHEDMN CCCOc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)cc1C ZINC000871665266 1031260504 /nfs/dbraw/zinc/26/05/04/1031260504.db2.gz GJBCBFIDYFDYGY-RAXLEYEMSA-N 0 1 323.396 3.608 20 30 DHEDMN CC(C)c1csc(C(C#N)C(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000080452264 1031368057 /nfs/dbraw/zinc/36/80/57/1031368057.db2.gz GYTXKJKIDRJJOT-GFCCVEGCSA-N 0 1 315.354 3.665 20 30 DHEDMN CC(C)c1csc([C@H](C#N)C(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000080452264 1031368062 /nfs/dbraw/zinc/36/80/62/1031368062.db2.gz GYTXKJKIDRJJOT-GFCCVEGCSA-N 0 1 315.354 3.665 20 30 DHEDMN C=C(C)COc1cc(CN2CCS[C@H](C)[C@H]2C)ccc1OC ZINC000536670564 1031380904 /nfs/dbraw/zinc/38/09/04/1031380904.db2.gz UESVQXYOCVPNHV-HUUCEWRRSA-N 0 1 321.486 3.976 20 30 DHEDMN CCc1ccc(CN(CCOC)Cc2ccc(C#N)cc2)s1 ZINC000536682957 1031395382 /nfs/dbraw/zinc/39/53/82/1031395382.db2.gz CPGVRABNFXYLJE-UHFFFAOYSA-N 0 1 314.454 3.831 20 30 DHEDMN N#C[C@H]1CCC[C@@H](NCc2cc(C(F)(F)F)cc(Cl)n2)C1 ZINC000872116118 1031507215 /nfs/dbraw/zinc/50/72/15/1031507215.db2.gz ISYHEKKKHDQONJ-GXSJLCMTSA-N 0 1 317.742 3.926 20 30 DHEDMN COCCN(CC#Cc1ccc(Cl)cc1)[C@@H]1CCCSC1 ZINC000433198299 1031539836 /nfs/dbraw/zinc/53/98/36/1031539836.db2.gz FITRFBWSCCWGFN-QGZVFWFLSA-N 0 1 323.889 3.536 20 30 DHEDMN C[C@H]1CC[C@H](C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000845442150 1031586040 /nfs/dbraw/zinc/58/60/40/1031586040.db2.gz WHAFGHNACHQAQW-HUBLWGQQSA-N 0 1 318.804 3.814 20 30 DHEDMN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H](CCO)c1ccco1 ZINC000360872723 1031596336 /nfs/dbraw/zinc/59/63/36/1031596336.db2.gz NURMJICRKBOKFS-QZTJIDSGSA-N 0 1 310.397 3.632 20 30 DHEDMN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CCCc1cccnc1 ZINC000929756548 1031599717 /nfs/dbraw/zinc/59/97/17/1031599717.db2.gz HLFAWSKJSJFYAB-PMACEKPBSA-N 0 1 305.425 3.786 20 30 DHEDMN N#CCc1cc(F)cc(NC(=N)c2ccc3cc(O)ccc3c2)c1 ZINC001171186287 1031600662 /nfs/dbraw/zinc/60/06/62/1031600662.db2.gz PQEWXOOIYMBVSP-UHFFFAOYSA-N 0 1 319.339 3.788 20 30 DHEDMN C=CCCN(Cc1ccccc1)Cc1cnc(OC)c(F)c1 ZINC001144461736 1031619484 /nfs/dbraw/zinc/61/94/84/1031619484.db2.gz CNGZEPCTNKFBCQ-UHFFFAOYSA-N 0 1 300.377 3.808 20 30 DHEDMN C[C@@H]1C[N@H+](CC(C)(C)CCC#N)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000124149315 1031627255 /nfs/dbraw/zinc/62/72/55/1031627255.db2.gz RDILOTCJYFUIRY-GASCZTMLSA-N 0 1 323.481 3.646 20 30 DHEDMN N#CC(C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1cc(C(F)(F)F)ccn1 ZINC000845574843 1031632928 /nfs/dbraw/zinc/63/29/28/1031632928.db2.gz PDWQTIJQWNXIKF-WVWOOGAGSA-N 0 1 320.314 3.879 20 30 DHEDMN Cc1cc(C)c(C#N)c(N2CCC[C@@H](c3cc(C(C)C)n[nH]3)C2)n1 ZINC000872647267 1031637235 /nfs/dbraw/zinc/63/72/35/1031637235.db2.gz XWIGHFIZXJLWQX-OAHLLOKOSA-N 0 1 323.444 3.801 20 30 DHEDMN CC[N@@H+](CCC1CC1)Cc1ccc(Br)cc1C#N ZINC000385733747 1031643694 /nfs/dbraw/zinc/64/36/94/1031643694.db2.gz AFBMHHQCRVFVOZ-UHFFFAOYSA-N 0 1 307.235 3.943 20 30 DHEDMN C#CCCN[C@H](c1cccc(OC)c1)c1cc(F)ccc1OC ZINC000760302598 1031650708 /nfs/dbraw/zinc/65/07/08/1031650708.db2.gz BIJNTPNXNWPVGG-LJQANCHMSA-N 0 1 313.372 3.545 20 30 DHEDMN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)C(C#N)c2ccncn2)c1 ZINC000760340869 1031672436 /nfs/dbraw/zinc/67/24/36/1031672436.db2.gz PBTUDPBQNLLUSV-ZBFHGGJFSA-N 0 1 323.396 3.552 20 30 DHEDMN C[C@@H](NCc1cncc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000930184322 1031724688 /nfs/dbraw/zinc/72/46/88/1031724688.db2.gz ZTCZQPYXFFFZKG-LLVKDONJSA-N 0 1 305.303 3.823 20 30 DHEDMN CC(C)C[C@@H]1C[C@H]1C(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845844168 1031728239 /nfs/dbraw/zinc/72/82/39/1031728239.db2.gz OVDWGUDOTGJAFA-OIISXLGYSA-N 0 1 309.409 3.678 20 30 DHEDMN N#CC(C(=O)C[C@@H]1C=CCCC1)=C(O)C1(c2ccccc2)CC1 ZINC000845841361 1031738570 /nfs/dbraw/zinc/73/85/70/1031738570.db2.gz ABFDMIJWEBBJQX-WBVHZDCISA-N 0 1 307.393 3.743 20 30 DHEDMN Cc1cccc(NC(=O)C[C@@H](C)NCC2(C#N)CCCC2)c1C ZINC000846009962 1031804230 /nfs/dbraw/zinc/80/42/30/1031804230.db2.gz GFRNOPHBBRWXOE-OAHLLOKOSA-N 0 1 313.445 3.694 20 30 DHEDMN COc1nc2ccccc2cc1CN=Nc1cc(Cl)ccn1 ZINC000777913753 1031839887 /nfs/dbraw/zinc/83/98/87/1031839887.db2.gz QSZCARJDPDNNGY-UHFFFAOYSA-N 0 1 312.760 3.738 20 30 DHEDMN CCC[C@@H](CC)C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000873498505 1031848180 /nfs/dbraw/zinc/84/81/80/1031848180.db2.gz VGXASICIHLSSPR-VXGBXAGGSA-N 0 1 306.793 3.814 20 30 DHEDMN C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC001171210395 1031852955 /nfs/dbraw/zinc/85/29/55/1031852955.db2.gz UEQXBJWBVDIWNX-OXQOHEQNSA-N 0 1 306.409 3.563 20 30 DHEDMN C[C@H](Cc1cccc(C#N)c1)N1CCOC[C@@H]1c1ccccc1 ZINC001171210395 1031852974 /nfs/dbraw/zinc/85/29/74/1031852974.db2.gz UEQXBJWBVDIWNX-OXQOHEQNSA-N 0 1 306.409 3.563 20 30 DHEDMN CC(N=Nc1cccc([N+](=O)[O-])c1)c1ccc(-n2cccn2)cc1 ZINC000873853872 1031947098 /nfs/dbraw/zinc/94/70/98/1031947098.db2.gz DPYRGWYPGHHDBL-UHFFFAOYSA-N 0 1 321.340 3.617 20 30 DHEDMN Cc1csc([C@H](C#N)C(=O)c2cn(C)c3ccc(F)cc23)n1 ZINC000361657635 1032041184 /nfs/dbraw/zinc/04/11/84/1032041184.db2.gz DCIXKMZGAGFAMH-GFCCVEGCSA-N 0 1 313.357 3.572 20 30 DHEDMN Cc1csc(C(C#N)C(=O)c2cn(C)c3ccc(F)cc23)n1 ZINC000361657635 1032041191 /nfs/dbraw/zinc/04/11/91/1032041191.db2.gz DCIXKMZGAGFAMH-GFCCVEGCSA-N 0 1 313.357 3.572 20 30 DHEDMN Cc1ccc(C#N)cc1NC(=O)c1ccc(CN2CCCCC2)o1 ZINC000931129392 1032048885 /nfs/dbraw/zinc/04/88/85/1032048885.db2.gz BNMHACXVGWWQGD-UHFFFAOYSA-N 0 1 323.396 3.698 20 30 DHEDMN C[C@@H]1CCC[C@H](N(CCC#N)Cc2ccc3c(c2)OCO3)[C@H]1C ZINC000338264791 1033309307 /nfs/dbraw/zinc/30/93/07/1033309307.db2.gz HBVUNNJCQUTQTR-VYDXJSESSA-N 0 1 314.429 3.956 20 30 DHEDMN C[C@H](CCC#N)CN1CCCC[C@@H]1C(=O)OCc1ccccc1 ZINC000877488969 1033318574 /nfs/dbraw/zinc/31/85/74/1033318574.db2.gz JTMZCLPRGGJVHC-SJLPKXTDSA-N 0 1 314.429 3.524 20 30 DHEDMN N#Cc1ccc2c(c1)CN([C@H]1Cc3ccc(Cl)cc3C1)CC2 ZINC001172712902 1033349233 /nfs/dbraw/zinc/34/92/33/1033349233.db2.gz BVIVUWQUTLESHU-IBGZPJMESA-N 0 1 308.812 3.737 20 30 DHEDMN Cc1csc(C(C#N)C(=O)[C@H](C)OCc2ccc(C)cc2)n1 ZINC000860450718 1033383927 /nfs/dbraw/zinc/38/39/27/1033383927.db2.gz YIFKQEWVQSIYCG-DZGCQCFKSA-N 0 1 314.410 3.542 20 30 DHEDMN N#CC(C(=O)Nc1ccccc1Cl)C(=O)[C@H]1CCCC12CC2 ZINC000860470365 1033391988 /nfs/dbraw/zinc/39/19/88/1033391988.db2.gz OLDUVRWPDNVMRC-VXGBXAGGSA-N 0 1 316.788 3.568 20 30 DHEDMN N#Cc1cnc(Cl)c(CN2CC[C@]3(CCc4ccccc43)C2)c1 ZINC000877810438 1033460580 /nfs/dbraw/zinc/46/05/80/1033460580.db2.gz FEOJBGAMCSFCKU-LJQANCHMSA-N 0 1 323.827 3.697 20 30 DHEDMN CC[C@H](NC(=O)C(C#N)C(=O)[C@H]1CCCC12CC2)c1ccccc1 ZINC000860692991 1033461021 /nfs/dbraw/zinc/46/10/21/1033461021.db2.gz AQUZNPVKKNIAAS-ZACQAIPSSA-N 0 1 324.424 3.543 20 30 DHEDMN C=CCOCc1nn([C@H](CCCC)CC(C)C)c2c1CNC2 ZINC001173262076 1033633459 /nfs/dbraw/zinc/63/34/59/1033633459.db2.gz RQMDRZSXECKYPP-OAHLLOKOSA-N 0 1 305.466 3.966 20 30 DHEDMN CC[C@@H]1CC[C@H](NC2(C#N)CCN(Cc3ccccc3)CC2)C1 ZINC001173269487 1033640696 /nfs/dbraw/zinc/64/06/96/1033640696.db2.gz VYJYQWHEMYULPX-MJGOQNOKSA-N 0 1 311.473 3.713 20 30 DHEDMN CCC1CCC(NC2CCC(CC#N)CC2)(C(=O)OC)CC1 ZINC001173328587 1033688557 /nfs/dbraw/zinc/68/85/57/1033688557.db2.gz GKHZTMCMPIFBFU-UHFFFAOYSA-N 0 1 306.450 3.560 20 30 DHEDMN C#CCCCCCN[C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000878424859 1033701166 /nfs/dbraw/zinc/70/11/66/1033701166.db2.gz AZKWMLMEDLDXOR-CQSZACIVSA-N 0 1 313.401 3.589 20 30 DHEDMN CC1(C#N)CCC(N(Cc2ccccn2)Cc2ccccn2)CC1 ZINC001173592508 1033780675 /nfs/dbraw/zinc/78/06/75/1033780675.db2.gz RMPTWTKMSSXKPJ-UHFFFAOYSA-N 0 1 320.440 3.951 20 30 DHEDMN C#CC[C@H]1CCCN([C@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000829773316 1033871795 /nfs/dbraw/zinc/87/17/95/1033871795.db2.gz CWALLZZCMYVUHA-OLZOCXBDSA-N 0 1 301.415 3.594 20 30 DHEDMN CC(=O)[C@@](C#N)(CCN1CCCC(F)(F)CC1)c1ccccc1 ZINC000879035214 1033902501 /nfs/dbraw/zinc/90/25/01/1033902501.db2.gz JKHJGTLJSKMCSX-KRWDZBQOSA-N 0 1 320.383 3.548 20 30 DHEDMN COc1ccc(CN[C@@H](c2ccccc2)[C@H]2CCCO2)cc1C#N ZINC000174319955 1033921287 /nfs/dbraw/zinc/92/12/87/1033921287.db2.gz KUVCGJUGDXNPFG-UXHICEINSA-N 0 1 322.408 3.577 20 30 DHEDMN COc1ccc(CN[C@@H](c2ccccc2)[C@@H]2CCCO2)cc1C#N ZINC000174319930 1033922083 /nfs/dbraw/zinc/92/20/83/1033922083.db2.gz KUVCGJUGDXNPFG-PMACEKPBSA-N 0 1 322.408 3.577 20 30 DHEDMN C=CCCC[C@@H](C(=O)NOCC(F)(F)F)c1ccccc1 ZINC000879195104 1033948281 /nfs/dbraw/zinc/94/82/81/1033948281.db2.gz YWTJRBFMJNRHPH-CYBMUJFWSA-N 0 1 301.308 3.737 20 30 DHEDMN C=CCC[C@H](NC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C)c1ccccc1 ZINC000879230201 1033957986 /nfs/dbraw/zinc/95/79/86/1033957986.db2.gz JXFLTADURIUAKK-UCLAIMLFSA-N 0 1 323.440 3.899 20 30 DHEDMN C[C@@H](C#N)OCCN(C)Cc1ccccc1OCc1ccccc1 ZINC000879241734 1033960805 /nfs/dbraw/zinc/96/08/05/1033960805.db2.gz MYCMPTVKDMPXQL-KRWDZBQOSA-N 0 1 324.424 3.626 20 30 DHEDMN C[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)[C@]12C[C@H]1CCCC2 ZINC000879264416 1033969738 /nfs/dbraw/zinc/96/97/38/1033969738.db2.gz WBLKDVMYPSINAY-CRFBAAHOSA-N 0 1 322.412 3.667 20 30 DHEDMN Cc1ccc([C@H](C)NCc2ccc(C#N)s2)cc1[N+](=O)[O-] ZINC000175057750 1033976301 /nfs/dbraw/zinc/97/63/01/1033976301.db2.gz IELALOYWYVZSSI-NSHDSACASA-N 0 1 301.371 3.687 20 30 DHEDMN CC(=NNc1ccncc1C)c1sc(C(C)(C)C)nc1C ZINC000863157490 1034008837 /nfs/dbraw/zinc/00/88/37/1034008837.db2.gz NGHCKPMRMIQNGT-UHFFFAOYSA-N 0 1 302.447 3.710 20 30 DHEDMN Cc1ccc(F)c(Nc2sc3c(c2C#N)CCN(C)C3)c1 ZINC001174110287 1034120200 /nfs/dbraw/zinc/12/02/00/1034120200.db2.gz BZRSWSMIIFSWQX-UHFFFAOYSA-N 0 1 301.390 3.799 20 30 DHEDMN N#CC1(CNC[C@H](O)c2cccc3ccccc32)CCCCC1 ZINC000863573392 1034131619 /nfs/dbraw/zinc/13/16/19/1034131619.db2.gz OMQIYJXGPATWGP-IBGZPJMESA-N 0 1 308.425 3.937 20 30 DHEDMN Fc1ccc2c(c1)C(=NNc1nc3ccccc3[nH]1)CCCO2 ZINC000863951286 1034229327 /nfs/dbraw/zinc/22/93/27/1034229327.db2.gz DMGPSFSXYPHUHA-UHFFFAOYSA-N 0 1 310.332 3.691 20 30 DHEDMN N#CCc1cccc2c1CCN(CCCC(=O)c1ccccc1)C2 ZINC000626130973 1034232482 /nfs/dbraw/zinc/23/24/82/1034232482.db2.gz LBULSWZLVQUFQK-UHFFFAOYSA-N 0 1 318.420 3.774 20 30 DHEDMN N#Cc1cc(Nc2ccc3nccn3c2)cc(C(F)(F)F)c1 ZINC001174277310 1034270913 /nfs/dbraw/zinc/27/09/13/1034270913.db2.gz BGFKPTGYFVZTQW-UHFFFAOYSA-N 0 1 302.259 3.968 20 30 DHEDMN C#CCCCCC(=O)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000180454652 1034344111 /nfs/dbraw/zinc/34/41/11/1034344111.db2.gz QETJQJVBEMNANQ-INIZCTEOSA-N 0 1 323.440 3.771 20 30 DHEDMN COc1ccc(C=NNc2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000794729855 1034426190 /nfs/dbraw/zinc/42/61/90/1034426190.db2.gz LRINNJADKKGMEU-UHFFFAOYSA-N 0 1 305.721 3.703 20 30 DHEDMN C=CC(C)(C)CC(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000881455003 1034599488 /nfs/dbraw/zinc/59/94/88/1034599488.db2.gz KDTMDWAIMVMYTD-AWEZNQCLSA-N 0 1 303.450 3.841 20 30 DHEDMN N#Cc1ccnc(CN2CCC[C@H](c3ccc(F)c(F)c3)C2)c1 ZINC001174844314 1034643326 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Cc1[nH]nc2ccc(Nc3nc(C(F)(F)F)ccc3C#N)cc12 ZINC001175694497 1035069042 /nfs/dbraw/zinc/06/90/42/1035069042.db2.gz QZKQDEVHUVHLNJ-UHFFFAOYSA-N 0 1 317.274 3.900 20 30 DHEDMN CC(C)(C)OC[C@@H]1CCCN1Cc1ccc(C#N)cc1Cl ZINC001176020445 1035186946 /nfs/dbraw/zinc/18/69/46/1035186946.db2.gz HYMOUWOLHSNZIW-HNNXBMFYSA-N 0 1 306.837 3.991 20 30 DHEDMN COc1ccc(C#N)cc1C[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000483099627 1035224805 /nfs/dbraw/zinc/22/48/05/1035224805.db2.gz RCDJKFZAJLHDPX-INIZCTEOSA-N 0 1 310.372 3.695 20 30 DHEDMN C#CC[N@H+](Cc1cccc(C(=O)OC(C)(C)C)c1)C(C)(C)C ZINC001176287470 1035234854 /nfs/dbraw/zinc/23/48/54/1035234854.db2.gz FCVNRIKGPUHCQJ-UHFFFAOYSA-N 0 1 301.430 3.876 20 30 DHEDMN C=CCOc1ccc(C[N@@H+](C)Cc2ccc(C)o2)cc1OC ZINC000160861706 1035256777 /nfs/dbraw/zinc/25/67/77/1035256777.db2.gz ZGFFULMJCMGJCF-UHFFFAOYSA-N 0 1 301.386 3.793 20 30 DHEDMN C=CCOc1ccc(CN(C)Cc2ccc(C)o2)cc1OC ZINC000160861706 1035256779 /nfs/dbraw/zinc/25/67/79/1035256779.db2.gz ZGFFULMJCMGJCF-UHFFFAOYSA-N 0 1 301.386 3.793 20 30 DHEDMN CC[N@@H+](CC#Cc1ccccc1)[C@@H](COC)Cc1ccccc1 ZINC000483930386 1035309487 /nfs/dbraw/zinc/30/94/87/1035309487.db2.gz PJLNDPFTWLJGDR-OAQYLSRUSA-N 0 1 307.437 3.618 20 30 DHEDMN N#Cc1cc(F)c(Nc2c(F)cc(F)c(O)c2F)c(F)c1 ZINC001176673720 1035311781 /nfs/dbraw/zinc/31/17/81/1035311781.db2.gz XWSCGZJRMRZZSG-UHFFFAOYSA-N 0 1 300.186 3.703 20 30 DHEDMN C=CCN(CC(=O)Nc1cccc(C#N)c1)CC1CCCCC1 ZINC000484489034 1035340781 /nfs/dbraw/zinc/34/07/81/1035340781.db2.gz PDWUJLXZOSUFHI-UHFFFAOYSA-N 0 1 311.429 3.565 20 30 DHEDMN C=CC[C@@H](NCc1cccc2c1OCCCO2)c1ccncc1 ZINC001177884414 1035397055 /nfs/dbraw/zinc/39/70/55/1035397055.db2.gz FBIIHMWLTHAVDZ-QGZVFWFLSA-N 0 1 310.397 3.650 20 30 DHEDMN Cc1ccc(CCCNC(=O)C(C#N)Cc2cccs2)s1 ZINC001177917276 1035398513 /nfs/dbraw/zinc/39/85/13/1035398513.db2.gz REJPHGCPJNLZDD-CYBMUJFWSA-N 0 1 318.467 3.549 20 30 DHEDMN C#Cc1ccc(CNC[C@H](OC2CCCC2)C(F)(F)F)cc1 ZINC001179106788 1035465446 /nfs/dbraw/zinc/46/54/46/1035465446.db2.gz WIGJFALHGDRDOT-INIZCTEOSA-N 0 1 311.347 3.648 20 30 DHEDMN CO[C@@]1(C/N=C\c2cc(Cl)cc(Cl)c2O)CCSC1 ZINC000905002549 1035474451 /nfs/dbraw/zinc/47/44/51/1035474451.db2.gz JRGRYWZMIOUSRT-LLYLVAKQSA-N 0 1 320.241 3.640 20 30 DHEDMN CCCCCCC(=O)C(C#N)C(=O)Nc1ccccc1OCC ZINC000128987488 1035524927 /nfs/dbraw/zinc/52/49/27/1035524927.db2.gz RHUHXOHRTYJSJI-AWEZNQCLSA-N 0 1 316.401 3.703 20 30 DHEDMN CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)C2CC2)cc1 ZINC000176532076 1035543807 /nfs/dbraw/zinc/54/38/07/1035543807.db2.gz KXIOXAPWGNGHCN-GUYCJALGSA-N 0 1 312.413 3.723 20 30 DHEDMN C#C[C@H](N[C@@H](C)c1sc(C(C)(C)C)nc1C)[C@H]1CCCO1 ZINC000775572595 1035572148 /nfs/dbraw/zinc/57/21/48/1035572148.db2.gz SKIZEXGYEOAATB-FPMFFAJLSA-N 0 1 306.475 3.580 20 30 DHEDMN N#Cc1ccc(N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)nc1 ZINC000442742255 1035580711 /nfs/dbraw/zinc/58/07/11/1035580711.db2.gz XIMAOJNXLXDSHW-OAHLLOKOSA-N 0 1 323.787 3.824 20 30 DHEDMN CC(C)[C@@H](NC(=O)c1ccc(O)c(C#N)c1)c1ccc(F)cc1 ZINC001193515914 1035657699 /nfs/dbraw/zinc/65/76/99/1035657699.db2.gz VEECKDNKEXXMLX-QGZVFWFLSA-N 0 1 312.344 3.530 20 30 DHEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1cc2ccccc2o1 ZINC000191366100 1035683315 /nfs/dbraw/zinc/68/33/15/1035683315.db2.gz ZMQOQLBLEFZTPF-LSDHHAIUSA-N 0 1 314.429 3.897 20 30 DHEDMN O=C(/C=C/c1ccccc1OC(F)F)c1ccc(O)cc1O ZINC000149038315 1035690793 /nfs/dbraw/zinc/69/07/93/1035690793.db2.gz MRCQPTOFUHKVKH-VMPITWQZSA-N 0 1 306.264 3.595 20 30 DHEDMN C=CCN(C)Cc1cc(Br)ccc1OC(F)F ZINC000494697966 1035778824 /nfs/dbraw/zinc/77/88/24/1035778824.db2.gz GUJRBYLHDGRADA-UHFFFAOYSA-N 0 1 306.150 3.668 20 30 DHEDMN FC(F)(F)[C@@H](CNCC#Cc1ccccc1)c1ccccc1 ZINC001180969128 1035797955 /nfs/dbraw/zinc/79/79/55/1035797955.db2.gz DSHRZFZWLGRXMV-KRWDZBQOSA-N 0 1 303.327 3.974 20 30 DHEDMN N#Cc1cccc(S(=O)(=O)Nc2cccc3ccsc32)c1 ZINC000386317238 1035806252 /nfs/dbraw/zinc/80/62/52/1035806252.db2.gz CBTRGIVFMMIOHO-UHFFFAOYSA-N 0 1 314.391 3.574 20 30 DHEDMN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)C1CCCCC1 ZINC000130109928 1035922238 /nfs/dbraw/zinc/92/22/38/1035922238.db2.gz NEXXUBGVEPJXMO-LBPRGKRZSA-N 0 1 322.767 3.707 20 30 DHEDMN N#Cc1ccccc1-c1ccc(CN2CCO[C@@H](C3CC3)C2)cc1 ZINC000485804513 1035976703 /nfs/dbraw/zinc/97/67/03/1035976703.db2.gz HSNGTTZJOXQSKC-OAQYLSRUSA-N 0 1 318.420 3.836 20 30 DHEDMN COc1ccc([C@H]2CC[N@@H+](Cc3cccc(C#N)c3F)C2)cc1 ZINC000540341128 1036046308 /nfs/dbraw/zinc/04/63/08/1036046308.db2.gz UFLIMVSALWDRHM-INIZCTEOSA-N 0 1 310.372 3.695 20 30 DHEDMN CCCCCCCCS(=O)(=O)c1nnc(-c2ccccc2)[n-]1 ZINC000774009000 1036118855 /nfs/dbraw/zinc/11/88/55/1036118855.db2.gz NTBHDEPOUKHENX-UHFFFAOYSA-N 0 1 321.446 3.606 20 30 DHEDMN C#CCOc1ccccc1CN[C@@H](C)c1ccc(C(C)(C)O)cc1 ZINC000925415914 1036137798 /nfs/dbraw/zinc/13/77/98/1036137798.db2.gz FPURIBCPWVDIEJ-INIZCTEOSA-N 0 1 323.436 3.777 20 30 DHEDMN Cc1[nH+]c(C=N[N-]c2nc3ccccc3s2)c2ccccn12 ZINC000914601517 1036155324 /nfs/dbraw/zinc/15/53/24/1036155324.db2.gz VABOSRNZVKERTL-UHFFFAOYSA-N 0 1 307.382 3.698 20 30 DHEDMN N#CCCN(Cc1ccco1)Cc1cc(Cl)cc(F)c1O ZINC000775642824 1036161180 /nfs/dbraw/zinc/16/11/80/1036161180.db2.gz HXCIVRGSDPXCGM-UHFFFAOYSA-N 0 1 308.740 3.694 20 30 DHEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@@H](C)c3ccccc3)[nH]c21 ZINC000774100240 1036164281 /nfs/dbraw/zinc/16/42/81/1036164281.db2.gz AWYVGPLMBHOTMA-DZGCQCFKSA-N 0 1 303.365 3.851 20 30 DHEDMN C=C[C@H](CC)CC(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC001127247504 1036229641 /nfs/dbraw/zinc/22/96/41/1036229641.db2.gz XLPNTJXCOMGVCX-RCCFBDPRSA-N 0 1 314.473 3.710 20 30 DHEDMN C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001195367319 1036230150 /nfs/dbraw/zinc/23/01/50/1036230150.db2.gz IERHRTVOVUIWIO-GFCCVEGCSA-N 0 1 313.332 3.799 20 30 DHEDMN C=C[C@@H]1CCCCN1C(=O)c1cc(-c2c[nH]c3ccccc23)[nH]n1 ZINC000907806572 1036274315 /nfs/dbraw/zinc/27/43/15/1036274315.db2.gz CELUDIAEUYNJTO-CYBMUJFWSA-N 0 1 320.396 3.739 20 30 DHEDMN COc1ccc(-c2ccncc2)cc1C=NNc1cc(C)ccn1 ZINC000774388484 1036325931 /nfs/dbraw/zinc/32/59/31/1036325931.db2.gz PVGGESNVHAMDQJ-UHFFFAOYSA-N 0 1 318.380 3.907 20 30 DHEDMN N#Cc1ccc(C(=O)Nc2ccccc2-c2ccncc2)c(O)c1 ZINC001195758061 1036327917 /nfs/dbraw/zinc/32/79/17/1036327917.db2.gz IWYVRHCRGKOUMK-UHFFFAOYSA-N 0 1 315.332 3.578 20 30 DHEDMN Cc1ccc(C(C)N=Nc2ccc(S(C)(=O)=O)cc2)cc1C ZINC000914834512 1036361936 /nfs/dbraw/zinc/36/19/36/1036361936.db2.gz HTEOYDKKYDQSIH-UHFFFAOYSA-N 0 1 316.426 3.543 20 30 DHEDMN C=CCSCCNCc1c(F)ccc(Br)c1F ZINC000231941760 1036474376 /nfs/dbraw/zinc/47/43/76/1036474376.db2.gz KOVWLFYVVJKNEM-UHFFFAOYSA-N 0 1 322.218 3.736 20 30 DHEDMN N#Cc1sccc1NC(=O)c1snc(Cl)c1Cl ZINC001196334055 1036506421 /nfs/dbraw/zinc/50/64/21/1036506421.db2.gz NBZUAFFTZDPHAD-UHFFFAOYSA-N 0 1 304.183 3.635 20 30 DHEDMN N#CC(C(=O)c1ncoc1C1CC1)c1ccc2ccccc2n1 ZINC000645954018 1036616113 /nfs/dbraw/zinc/61/61/13/1036616113.db2.gz VPJHAQMVRLAYLX-ZDUSSCGKSA-N 0 1 303.321 3.590 20 30 DHEDMN N#C[C@H](C(=O)c1ncoc1C1CC1)c1ccc2ccccc2n1 ZINC000645954018 1036616124 /nfs/dbraw/zinc/61/61/24/1036616124.db2.gz VPJHAQMVRLAYLX-ZDUSSCGKSA-N 0 1 303.321 3.590 20 30 DHEDMN C#C[C@@H](N[C@@H]1CCOC2(CCC2)C1)c1ccc(Cl)cc1F ZINC000491657395 1036620160 /nfs/dbraw/zinc/62/01/60/1036620160.db2.gz FZKKPTFYXDSXCX-CZUORRHYSA-N 0 1 307.796 3.845 20 30 DHEDMN CCCCCC[C@H](C)CC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000102707951 1036644910 /nfs/dbraw/zinc/64/49/10/1036644910.db2.gz AXNGPPRLJXEXAL-GJZGRUSLSA-N 0 1 315.417 3.726 20 30 DHEDMN CCCCCCCC[C@H]1C[C@@H]1C(=O)N1CCCC2(CN(C)C2)C1 ZINC001273737421 1036701590 /nfs/dbraw/zinc/70/15/90/1036701590.db2.gz FOQJOTFMNFKTRE-ROUUACIJSA-N 0 1 320.521 3.927 20 30 DHEDMN CCCCCCCC[C@@H]1C[C@@H]1C(=O)N1CCCC2(CN(C)C2)C1 ZINC001273737417 1036702544 /nfs/dbraw/zinc/70/25/44/1036702544.db2.gz FOQJOTFMNFKTRE-MSOLQXFVSA-N 0 1 320.521 3.927 20 30 DHEDMN C=CC1CCN(Cc2ccn(-c3ccc(F)cc3F)n2)CC1 ZINC000487918469 1036763609 /nfs/dbraw/zinc/76/36/09/1036763609.db2.gz RTXKJJJLPVCGDK-UHFFFAOYSA-N 0 1 303.356 3.549 20 30 DHEDMN COC[C@H](NC1CC(C#N)(c2ccccc2)C1)c1ccc(F)cc1 ZINC001184278515 1036798679 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/nfs/dbraw/zinc/47/20/55/1040472055.db2.gz FQTPTPBWWHFTCA-GOEBONIOSA-N 0 1 300.402 3.940 20 30 DHEDMN CCCOc1ccc(CN2CCC[C@@H](CC#N)C2)cc1OC ZINC000597173576 1040675761 /nfs/dbraw/zinc/67/57/61/1040675761.db2.gz KGZNKFINWHMFCQ-HNNXBMFYSA-N 0 1 302.418 3.610 20 30 DHEDMN N#C[C@@H]1CCC[C@@H](N[C@H](CO)c2cccc(Cl)c2Cl)C1 ZINC000597227894 1040695308 /nfs/dbraw/zinc/69/53/08/1040695308.db2.gz IFVGYJIYXUUNBR-JTNHKYCSSA-N 0 1 313.228 3.699 20 30 DHEDMN CC1(C)C[C@@]1(NCc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000597255288 1040706273 /nfs/dbraw/zinc/70/62/73/1040706273.db2.gz VIHAHJZLISQGFS-HXUWFJFHSA-N 0 1 316.408 3.621 20 30 DHEDMN C[C@@H](C1CC1)N(C(=O)c1ccc(C#N)c(O)c1)c1ccccc1 ZINC000601714129 1040751206 /nfs/dbraw/zinc/75/12/06/1040751206.db2.gz ICFROHWCVHGLMS-ZDUSSCGKSA-N 0 1 306.365 3.709 20 30 DHEDMN C[C@@H]1CCN(Cc2cnc3ccc(C#N)cn23)[C@@H]2CCCC[C@H]12 ZINC000534337161 1040819567 /nfs/dbraw/zinc/81/95/67/1040819567.db2.gz UUMSWTIIWBZAQX-ZTFGCOKTSA-N 0 1 308.429 3.607 20 30 DHEDMN CCCc1c(C)[nH]n(-c2ccc(C#N)c(C(F)(F)F)c2)c1=O ZINC000601941359 1040840995 /nfs/dbraw/zinc/84/09/95/1040840995.db2.gz VNMMVLDCSFEJPZ-LBPRGKRZSA-N 0 1 309.291 3.716 20 30 DHEDMN Cc1[nH]n(Cc2ccc(-c3ccccc3)cc2)c(=O)c1CCC#N ZINC000601943517 1040841054 /nfs/dbraw/zinc/84/10/54/1040841054.db2.gz FWLGVZAJJJQFAW-LJQANCHMSA-N 0 1 317.392 3.992 20 30 DHEDMN CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2ccco2)ccc1OC ZINC000089632390 1040864088 /nfs/dbraw/zinc/86/40/88/1040864088.db2.gz GPTOMWHLAAFANS-ZFWWWQNUSA-N 0 1 314.385 3.820 20 30 DHEDMN Cc1ncc([C@@H](C)N(Cc2ccc(C#N)cc2)C2CC2)c(C)n1 ZINC000602440185 1041032499 /nfs/dbraw/zinc/03/24/99/1041032499.db2.gz JWZBFSJXKSHHJN-CQSZACIVSA-N 0 1 306.413 3.691 20 30 DHEDMN CCN(Cc1c2c(nn1C)CCCC2)[C@H](C)c1ccc(C#N)cc1 ZINC000602443146 1041037464 /nfs/dbraw/zinc/03/74/64/1041037464.db2.gz GIONURBMFPUZJD-OAHLLOKOSA-N 0 1 322.456 3.754 20 30 DHEDMN CCCC[C@@H](NCc1cccc(C#N)n1)c1ccc(OC)cc1 ZINC000602534157 1041092293 /nfs/dbraw/zinc/09/22/93/1041092293.db2.gz GEVSVYWIWGVMCM-LJQANCHMSA-N 0 1 309.413 3.983 20 30 DHEDMN CC(C)(C#N)C[C@@H](O)CN1CCc2oc(-c3ccccc3)cc2C1 ZINC000598621619 1041365158 /nfs/dbraw/zinc/36/51/58/1041365158.db2.gz ARGRNEBDNQYERQ-QGZVFWFLSA-N 0 1 324.424 3.605 20 30 DHEDMN COc1ccc(OC)c([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)c1 ZINC000078973683 185138114 /nfs/dbraw/zinc/13/81/14/185138114.db2.gz IFPHITDMMBADPY-ZIAGYGMSSA-N 0 1 310.397 3.987 20 30 DHEDMN Cc1ccnc(OC2CCN([C@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000442895123 338438951 /nfs/dbraw/zinc/43/89/51/338438951.db2.gz IXMMPDIFVJZAGR-MRXNPFEDSA-N 0 1 321.424 3.866 20 30 DHEDMN N#Cc1cc(Cl)ccc1CN[C@H]1CCCC[C@@H]1n1cccn1 ZINC000187781276 200155932 /nfs/dbraw/zinc/15/59/32/200155932.db2.gz HJVQVIYCQHZLLU-IRXDYDNUSA-N 0 1 314.820 3.682 20 30 DHEDMN Cc1ccsc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000041555623 183202236 /nfs/dbraw/zinc/20/22/36/183202236.db2.gz UIOMOTCWLYNLTF-JTQLQIEISA-N 0 1 310.300 3.960 20 30 DHEDMN Cc1ccsc1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 ZINC000041555623 183202237 /nfs/dbraw/zinc/20/22/37/183202237.db2.gz UIOMOTCWLYNLTF-JTQLQIEISA-N 0 1 310.300 3.960 20 30 DHEDMN C=CCOc1ccc(CN(C)[C@@H](C)c2ccncc2)cc1OC ZINC000183707460 335040341 /nfs/dbraw/zinc/04/03/41/335040341.db2.gz FNCMLFGZAABIKQ-HNNXBMFYSA-N 0 1 312.413 3.848 20 30 DHEDMN CCCN(Cc1ccc(C#N)cc1)Cc1cccc(O)c1OC ZINC000272318459 130020251 /nfs/dbraw/zinc/02/02/51/130020251.db2.gz TYBVZESSMTZEHL-UHFFFAOYSA-N 0 1 310.397 3.685 20 30 DHEDMN Cc1ccc2nc([C@H]3CCCN(c4ccc(C#N)cn4)C3)[nH]c2c1 ZINC000273117138 130090836 /nfs/dbraw/zinc/09/08/36/130090836.db2.gz PALVTZRFDQFDOU-HNNXBMFYSA-N 0 1 317.396 3.522 20 30 DHEDMN Cc1nc2sccn2c1CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000275642657 130353253 /nfs/dbraw/zinc/35/32/53/130353253.db2.gz OMICZKNYIFHFML-ZDUSSCGKSA-N 0 1 310.426 3.769 20 30 DHEDMN CC(C)c1nc([C@@H]2CCCCN2c2cccc(F)c2C#N)n[nH]1 ZINC000289540732 131394607 /nfs/dbraw/zinc/39/46/07/131394607.db2.gz FPYMSWYSGAMNDM-HNNXBMFYSA-N 0 1 313.380 3.670 20 30 DHEDMN C[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1nc2ccccc2n1C ZINC000121841974 132159617 /nfs/dbraw/zinc/15/96/17/132159617.db2.gz CDMNIRGNUACABT-KBPBESRZSA-N 0 1 304.397 3.857 20 30 DHEDMN C=CCN1CC[C@H](N(Cc2ccc(C(C)C)cc2)C2CC2)C1=O ZINC000410298491 332109579 /nfs/dbraw/zinc/10/95/79/332109579.db2.gz QLZDGWSGYMCZSX-IBGZPJMESA-N 0 1 312.457 3.561 20 30 DHEDMN CCC(CC)CN(CCC#N)Cc1ccc(NC(C)=O)cc1 ZINC000093101006 332134352 /nfs/dbraw/zinc/13/43/52/332134352.db2.gz VQNOKYBRNFIQRN-UHFFFAOYSA-N 0 1 301.434 3.797 20 30 DHEDMN COc1ccccc1CCN(C)CC#Cc1ccc(Cl)cc1 ZINC000427014910 332164825 /nfs/dbraw/zinc/16/48/25/332164825.db2.gz GHEKWINKSHGWOG-UHFFFAOYSA-N 0 1 313.828 3.875 20 30 DHEDMN C=CCCCN(C)C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000531078874 332249960 /nfs/dbraw/zinc/24/99/60/332249960.db2.gz PPQDCVBZPQPUGB-INIZCTEOSA-N 0 1 323.868 3.550 20 30 DHEDMN CC(C)(C#N)N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000560668612 332376098 /nfs/dbraw/zinc/37/60/98/332376098.db2.gz QWFGUICKJJKTRL-UHFFFAOYSA-N 0 1 317.436 3.676 20 30 DHEDMN N#CC1(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)CCCC1 ZINC000119714831 332376718 /nfs/dbraw/zinc/37/67/18/332376718.db2.gz KNPJPZHDWLFJPE-UHFFFAOYSA-N 0 1 308.385 3.853 20 30 DHEDMN C=C(C)C[C@H](C)C(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000466246006 333008390 /nfs/dbraw/zinc/00/83/90/333008390.db2.gz IYIWFKCVMHLRAJ-OKZBNKHCSA-N 0 1 314.473 3.710 20 30 DHEDMN N#CCC1CCN(Cc2ccc(OCc3ccccc3)nc2)CC1 ZINC000580211700 333011649 /nfs/dbraw/zinc/01/16/49/333011649.db2.gz GLHXZMUNGBDSNN-UHFFFAOYSA-N 0 1 321.424 3.786 20 30 DHEDMN C[C@H](c1nc2ccccc2s1)N(C)CCCSCC#N ZINC000174112252 333082292 /nfs/dbraw/zinc/08/22/92/333082292.db2.gz DONSTPIFPZSDPQ-GFCCVEGCSA-N 0 1 305.472 3.936 20 30 DHEDMN Cc1nn(C(C)C)c(C)c1C(=O)/C=C/c1cc(F)c(O)c(F)c1 ZINC000175325604 333097627 /nfs/dbraw/zinc/09/76/27/333097627.db2.gz QFROZDWQDVWTHM-AATRIKPKSA-N 0 1 320.339 3.961 20 30 DHEDMN C=CC(C)(C)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000294376126 335121726 /nfs/dbraw/zinc/12/17/26/335121726.db2.gz KQMGZSFLRLMRTR-UHFFFAOYSA-N 0 1 320.864 3.633 20 30 DHEDMN C=CC[C@@H](CO)N[C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000462811800 333118239 /nfs/dbraw/zinc/11/82/39/333118239.db2.gz XVHMGWSIHNCOCD-RYUDHWBXSA-N 0 1 306.406 3.537 20 30 DHEDMN C[C@@H](NCCCSCC#N)c1ncc(-c2ccccc2)o1 ZINC000184848498 333201825 /nfs/dbraw/zinc/20/18/25/333201825.db2.gz UFNCVUNGFSWNJG-CYBMUJFWSA-N 0 1 301.415 3.639 20 30 DHEDMN Cc1c(C(=O)/C=C/c2cc(F)c(O)c(F)c2)cnn1C(C)C ZINC000188881212 333252838 /nfs/dbraw/zinc/25/28/38/333252838.db2.gz IJEHGZUZOMHCHV-SNAWJCMRSA-N 0 1 306.312 3.652 20 30 DHEDMN N#C[C@@H]1CCC[C@H](NCc2nccn2CCCc2ccccc2)C1 ZINC000192939276 333295870 /nfs/dbraw/zinc/29/58/70/333295870.db2.gz VUWXFFRBVTXXQA-MOPGFXCFSA-N 0 1 322.456 3.688 20 30 DHEDMN CCCCCCCCCC(=O)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000364405772 333309298 /nfs/dbraw/zinc/30/92/98/333309298.db2.gz GWNWPYMMABLOOH-OAHLLOKOSA-N 0 1 306.454 3.651 20 30 DHEDMN COCC[C@H](NC1CC(C#N)(c2ccccc2)C1)c1ccco1 ZINC000364858335 333332437 /nfs/dbraw/zinc/33/24/37/333332437.db2.gz ZZMUHKGUTNSGDA-HFCFLWKCSA-N 0 1 310.397 3.571 20 30 DHEDMN C=CCN(C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000494706324 333349932 /nfs/dbraw/zinc/34/99/32/333349932.db2.gz DTUTXPGNKXJTEH-QWRGUYRKSA-N 0 1 315.244 3.677 20 30 DHEDMN CC(C)Oc1ccc(C#N)cc1NS(=O)(=O)CCC(C)(C)C ZINC000571013016 333478934 /nfs/dbraw/zinc/47/89/34/333478934.db2.gz VPOWIQXLZJLNRG-UHFFFAOYSA-N 0 1 324.446 3.523 20 30 DHEDMN C#CCOc1ccc(CN[C@@H](C)c2sccc2OC)cc1 ZINC000296388333 335143864 /nfs/dbraw/zinc/14/38/64/335143864.db2.gz JYFKETYSJGXMDC-ZDUSSCGKSA-N 0 1 301.411 3.620 20 30 DHEDMN N#C[C@H]1CC[C@@H](N2CCC(C(=O)c3cc(F)ccc3F)CC2)C1 ZINC000338909364 333501847 /nfs/dbraw/zinc/50/18/47/333501847.db2.gz ZCIRAIZGNJTMHS-SWLSCSKDSA-N 0 1 318.367 3.552 20 30 DHEDMN CC1(C#N)CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000272515528 334036531 /nfs/dbraw/zinc/03/65/31/334036531.db2.gz GRZXZITXJDEMGD-UHFFFAOYSA-N 0 1 312.335 3.753 20 30 DHEDMN CCCOc1ccc(CN2CCC(C)(C#N)CC2)cc1OC ZINC000272555942 334037132 /nfs/dbraw/zinc/03/71/32/334037132.db2.gz SGYOOKDRZJWHIM-UHFFFAOYSA-N 0 1 302.418 3.610 20 30 DHEDMN N#CCCCNCc1cc(Cl)ccc1OCc1cccnc1 ZINC000273023408 334042203 /nfs/dbraw/zinc/04/22/03/334042203.db2.gz DXZBOQOTBBZBRC-UHFFFAOYSA-N 0 1 315.804 3.707 20 30 DHEDMN C=CCOc1ccc(C[N@H+](CC(=O)[O-])[C@H](C)CC)cc1Cl ZINC000414677287 334066741 /nfs/dbraw/zinc/06/67/41/334066741.db2.gz IGHFZXXCASPBSE-GFCCVEGCSA-N 0 1 311.809 3.590 20 30 DHEDMN CC(C)(C#N)CCCCN1CCO[C@@H](Cc2ccccc2)C1 ZINC000278609896 334098719 /nfs/dbraw/zinc/09/87/19/334098719.db2.gz FHYMIPIRVASNDT-SFHVURJKSA-N 0 1 300.446 3.650 20 30 DHEDMN N#CCCCCNc1cc(C2CC2)nc(NCCCCC#N)n1 ZINC000288168371 334159347 /nfs/dbraw/zinc/15/93/47/334159347.db2.gz ZYELRENFYKVDRR-UHFFFAOYSA-N 0 1 312.421 3.566 20 30 DHEDMN COc1cc(CN(C)[C@@H]2CC[C@H](C#N)C2)c(SC)cc1OC ZINC000293063030 334195418 /nfs/dbraw/zinc/19/54/18/334195418.db2.gz LFASQTCKOLADMH-GXTWGEPZSA-N 0 1 320.458 3.550 20 30 DHEDMN Cc1nn(-c2ccccc2C)c(C)c1CN(C)[C@H]1CC[C@H](C#N)C1 ZINC000293505943 334198488 /nfs/dbraw/zinc/19/84/88/334198488.db2.gz NYOJVDHFSKELRQ-ROUUACIJSA-N 0 1 322.456 3.922 20 30 DHEDMN C[C@@H](NCCOCCC#N)c1cc(F)c(Cl)cc1Cl ZINC000293744163 334201710 /nfs/dbraw/zinc/20/17/10/334201710.db2.gz IARBWDAAZAMOBY-SECBINFHSA-N 0 1 305.180 3.713 20 30 DHEDMN CCCc1nc(C)c(CN[C@H](C)c2ccc(OCC#N)cc2)o1 ZINC000293845414 334202840 /nfs/dbraw/zinc/20/28/40/334202840.db2.gz XBFLGIOTDVOQAP-CYBMUJFWSA-N 0 1 313.401 3.689 20 30 DHEDMN N#CC[C@@H]1CC[C@H](NC(=O)c2c(O)cc(Cl)cc2Cl)C1 ZINC000295520937 334224578 /nfs/dbraw/zinc/22/45/78/334224578.db2.gz IPCBTFSWALZYAY-WPRPVWTQSA-N 0 1 313.184 3.511 20 30 DHEDMN Cc1ccc2[nH]c([C@H]3CCCN3CCCSCC#N)nc2c1 ZINC000295983525 334229127 /nfs/dbraw/zinc/22/91/27/334229127.db2.gz ONBVRTNXGPDXAK-MRXNPFEDSA-N 0 1 314.458 3.655 20 30 DHEDMN Cc1ccc2nc([C@H]3CCCN3CCCSCC#N)[nH]c2c1 ZINC000295983525 334229128 /nfs/dbraw/zinc/22/91/28/334229128.db2.gz ONBVRTNXGPDXAK-MRXNPFEDSA-N 0 1 314.458 3.655 20 30 DHEDMN C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cc(Br)ccc1[O-] ZINC000296615748 334235491 /nfs/dbraw/zinc/23/54/91/334235491.db2.gz WNWDMVWFTHVHGI-GVXVVHGQSA-N 0 1 323.234 3.888 20 30 DHEDMN C=CCOc1ccc(CN2CCC(C(F)F)CC2)cc1OC ZINC000353687197 334568641 /nfs/dbraw/zinc/56/86/41/334568641.db2.gz MAYDKDHOPMHMFV-UHFFFAOYSA-N 0 1 311.372 3.737 20 30 DHEDMN N#Cc1ccc(C(=O)Nc2cccc(CC(F)(F)F)c2)cc1O ZINC000188589525 334867000 /nfs/dbraw/zinc/86/70/00/334867000.db2.gz SJKOKMQKBPIMMA-UHFFFAOYSA-N 0 1 320.270 3.621 20 30 DHEDMN CC(C)(C)Oc1ccccc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000188659853 334870797 /nfs/dbraw/zinc/87/07/97/334870797.db2.gz HRCADDBEZKAJCM-UHFFFAOYSA-N 0 1 310.353 3.693 20 30 DHEDMN N#Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1O ZINC000189756366 334907476 /nfs/dbraw/zinc/90/74/76/334907476.db2.gz UJHGQFNZABEVTF-UHFFFAOYSA-N 0 1 306.243 3.535 20 30 DHEDMN Cc1ccc(C)n1C1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000344344653 335242913 /nfs/dbraw/zinc/24/29/13/335242913.db2.gz DRUGAOJSXSOQTA-UHFFFAOYSA-N 0 1 311.404 3.953 20 30 DHEDMN COCc1cccc(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)c1 ZINC000345388186 335322446 /nfs/dbraw/zinc/32/24/46/335322446.db2.gz ZCBUVABJSXFECC-OAHLLOKOSA-N 0 1 319.364 3.508 20 30 DHEDMN N#CC(C(=O)c1coc(-c2ccccc2Cl)n1)c1ccccn1 ZINC000345667801 335344679 /nfs/dbraw/zinc/34/46/79/335344679.db2.gz UDYMFOPDZQBFFE-GFCCVEGCSA-N 0 1 323.739 3.880 20 30 DHEDMN CC(=O)Nc1cccc(CN[C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000346128924 335378951 /nfs/dbraw/zinc/37/89/51/335378951.db2.gz FHGPSHLYJLSKLW-GFCCVEGCSA-N 0 1 311.360 3.507 20 30 DHEDMN CC[C@@H](CC#N)N[C@@H](C)Cc1ccc(F)cc1Br ZINC000348252389 335567733 /nfs/dbraw/zinc/56/77/33/335567733.db2.gz ABOWOWUJXVNVJR-GWCFXTLKSA-N 0 1 313.214 3.801 20 30 DHEDMN C#CCOc1ccc([C@@H](C)NCc2c(CC)noc2CC)cc1 ZINC000166952737 335995456 /nfs/dbraw/zinc/99/54/56/335995456.db2.gz MHOBOQVQFSVHLI-CQSZACIVSA-N 0 1 312.413 3.662 20 30 DHEDMN CC(=O)Nc1cccc([C@@H](C)NCc2ccc(C#N)c(F)c2)c1 ZINC000192149619 336019904 /nfs/dbraw/zinc/01/99/04/336019904.db2.gz NTWWGAVHWLWBNJ-GFCCVEGCSA-N 0 1 311.360 3.507 20 30 DHEDMN CCC1CCC(NC(=O)N2CC[C@H](n3cc(Cl)cn3)C2)CC1 ZINC000329689698 336045560 /nfs/dbraw/zinc/04/55/60/336045560.db2.gz GJSLZPRZKODFJL-ZALBZXLWSA-N 0 1 324.856 3.666 20 30 DHEDMN CC(C)c1nc([C@@H]2CCCCN2C(=O)Nc2ccsc2)n[nH]1 ZINC000329855115 336089629 /nfs/dbraw/zinc/08/96/29/336089629.db2.gz TWJJNSUFOAOQDT-LBPRGKRZSA-N 0 1 319.434 3.762 20 30 DHEDMN Cc1nc(CC(C)C)oc1C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000330009011 336105515 /nfs/dbraw/zinc/10/55/15/336105515.db2.gz HCAVUTUCJVYZLM-CQSZACIVSA-N 0 1 319.449 3.503 20 30 DHEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)[C@@H]1SCCc2ccccc21 ZINC000330101286 336113609 /nfs/dbraw/zinc/11/36/09/336113609.db2.gz FJDYHICXRGINJT-GDBMZVCRSA-N 0 1 313.426 3.774 20 30 DHEDMN N#C[C@@H]1CCC[C@H]1NC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000330233480 336127863 /nfs/dbraw/zinc/12/78/63/336127863.db2.gz SDNDTDYFNGMDGS-WCBMZHEXSA-N 0 1 320.805 3.788 20 30 DHEDMN Cc1cc(C[C@H](C)NC(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)n[nH]1 ZINC000330243452 336129082 /nfs/dbraw/zinc/12/90/82/336129082.db2.gz WVOUNQZFGHMXNB-ARLBYUKCSA-N 0 1 318.465 3.512 20 30 DHEDMN CC[C@@H]1CCC[C@@H](NC(=O)c2cn[nH]c2-c2cnn(CC)c2)C1 ZINC000330335306 336167869 /nfs/dbraw/zinc/16/78/69/336167869.db2.gz YXPOYLUWXGBKPD-TZMCWYRMSA-N 0 1 315.421 3.567 20 30 DHEDMN N#Cc1cccc(-c2nnc(CN3CCCC4(CCCC4)C3)o2)c1 ZINC000333774804 336209797 /nfs/dbraw/zinc/20/97/97/336209797.db2.gz YUKXKNWKVWGQGM-UHFFFAOYSA-N 0 1 322.412 3.764 20 30 DHEDMN N#CC1CCC(CNc2nc(C3CCCCC3)ns2)CC1 ZINC000333861298 336211323 /nfs/dbraw/zinc/21/13/23/336211323.db2.gz PYTGNHJTWNGYQA-UHFFFAOYSA-N 0 1 304.463 3.750 20 30 DHEDMN C=CCN(CCc1ccco1)Cc1ncc(C)c(OC)c1C ZINC000352700205 336230990 /nfs/dbraw/zinc/23/09/90/336230990.db2.gz AHOVSFDOCVOJTL-UHFFFAOYSA-N 0 1 300.402 3.531 20 30 DHEDMN Cc1cnn(C)c1CNCc1ccc(-c2ccccc2C#N)cc1 ZINC000352733022 336232782 /nfs/dbraw/zinc/23/27/82/336232782.db2.gz POKJBBRMDOIYIW-UHFFFAOYSA-N 0 1 316.408 3.557 20 30 DHEDMN CN(Cc1cccc(O)c1)Cc1cccc(OCCCC#N)c1 ZINC000532501547 336252366 /nfs/dbraw/zinc/25/23/66/336252366.db2.gz OREIUCAIBHIQLE-UHFFFAOYSA-N 0 1 310.397 3.707 20 30 DHEDMN CCCCOc1ccc(CCNCc2nc(C#N)cs2)cc1 ZINC000352838657 336273728 /nfs/dbraw/zinc/27/37/28/336273728.db2.gz GPVPUECSFUZQRW-UHFFFAOYSA-N 0 1 315.442 3.526 20 30 DHEDMN CN1CC[C@@H](Nc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000301866400 336335064 /nfs/dbraw/zinc/33/50/64/336335064.db2.gz DKSVLQLWNJDARH-QZTJIDSGSA-N 0 1 313.351 3.694 20 30 DHEDMN CCOc1ccc2nc(Sc3c(C#N)cccc3C#N)[nH]c2c1 ZINC000302826911 336370933 /nfs/dbraw/zinc/37/09/33/336370933.db2.gz HOHYPFNQCYFVBP-UHFFFAOYSA-N 0 1 320.377 3.856 20 30 DHEDMN C=CCc1cc(CNCc2ccsc2)cc(OC)c1OC ZINC000105478287 336387719 /nfs/dbraw/zinc/38/77/19/336387719.db2.gz OBFXPEAZMLQSDU-UHFFFAOYSA-N 0 1 303.427 3.784 20 30 DHEDMN N#Cc1ccc(CN2CCC[C@H]2Cc2cc(F)ccc2F)o1 ZINC000418093349 336399200 /nfs/dbraw/zinc/39/92/00/336399200.db2.gz JCPRGGTUMRLIAJ-AWEZNQCLSA-N 0 1 302.324 3.637 20 30 DHEDMN COc1cc(CN[C@@H](C)c2cnn(C3CCCC3)c2)ccc1C#N ZINC000353632375 336430377 /nfs/dbraw/zinc/43/03/77/336430377.db2.gz SLHHGNMXLIWPKQ-AWEZNQCLSA-N 0 1 324.428 3.729 20 30 DHEDMN CSCc1cc(F)ccc1CNCc1ccc(C#N)cc1F ZINC000355707811 336519678 /nfs/dbraw/zinc/51/96/78/336519678.db2.gz YFTBJVUEKNWXEA-UHFFFAOYSA-N 0 1 318.392 3.989 20 30 DHEDMN C/C(=C\c1ccccc1OC(F)F)CNCC1(C#N)CCC1 ZINC000418135232 336895513 /nfs/dbraw/zinc/89/55/13/336895513.db2.gz AEKRBKWSBYMAID-UKTHLTGXSA-N 0 1 306.356 3.975 20 30 DHEDMN N#Cc1ccc(CN2CCC3(CC2)OCc2ccccc23)s1 ZINC000371326379 336900560 /nfs/dbraw/zinc/90/05/60/336900560.db2.gz IQIWRSMPZMUCMO-UHFFFAOYSA-N 0 1 310.422 3.641 20 30 DHEDMN C[C@H](N[C@@H]1CCO[C@@H]1C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000372179447 336924302 /nfs/dbraw/zinc/92/43/02/336924302.db2.gz CRFNIAMHSBCJTO-YWPYICTPSA-N 0 1 313.426 3.510 20 30 DHEDMN C[C@H](N[C@H]1CCO[C@@H]1C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000372179448 336924375 /nfs/dbraw/zinc/92/43/75/336924375.db2.gz CRFNIAMHSBCJTO-ZOWXZIJZSA-N 0 1 313.426 3.510 20 30 DHEDMN COc1ccc2c(c1)OCC[C@@H]2N[C@@H](C)c1ccc(C#N)cc1 ZINC000373186633 336950961 /nfs/dbraw/zinc/95/09/61/336950961.db2.gz QEEBUPUNRDVOHJ-UGSOOPFHSA-N 0 1 308.381 3.741 20 30 DHEDMN C=CC[C@H](C)[C@@H](C)N[C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000374976321 337000817 /nfs/dbraw/zinc/00/08/17/337000817.db2.gz FVJJVULZEKZZBF-IYOUNJFTSA-N 0 1 301.409 3.839 20 30 DHEDMN COC(=O)[C@@H]1C[C@H](N[C@@H](C)c2cccc(C#N)c2)c2ccccc21 ZINC000376837573 337042410 /nfs/dbraw/zinc/04/24/10/337042410.db2.gz WWDLZGGAAODHHK-BKTGTZMESA-N 0 1 320.392 3.610 20 30 DHEDMN N#CCC[C@@H](C#N)CN1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000378039882 337065512 /nfs/dbraw/zinc/06/55/12/337065512.db2.gz JAYFUGIYPBHABA-PXNSSMCTSA-N 0 1 307.441 3.800 20 30 DHEDMN N#CCC[C@H](C#N)CN1CCC[C@]2(CCCc3ccccc32)C1 ZINC000378039886 337065541 /nfs/dbraw/zinc/06/55/41/337065541.db2.gz JAYFUGIYPBHABA-YLJYHZDGSA-N 0 1 307.441 3.800 20 30 DHEDMN CCc1cccc2c(C=C(C)c3nc(C)c(C#N)c(=O)[nH]3)c[nH]c21 ZINC000193612061 337078485 /nfs/dbraw/zinc/07/84/85/337078485.db2.gz IJQFCEWWPQMGJZ-DHZHZOJOSA-N 0 1 318.380 3.554 20 30 DHEDMN C#CCCOc1ccc(CN[C@H](COC)c2ccccc2)cc1 ZINC000172123470 337089796 /nfs/dbraw/zinc/08/97/96/337089796.db2.gz WPIDEUGGTFILRR-HXUWFJFHSA-N 0 1 309.409 3.566 20 30 DHEDMN CCC(CC)C[N@@H+](CCC#N)Cc1cc2ccccc2[nH]c1=O ZINC000173549934 337136359 /nfs/dbraw/zinc/13/63/59/337136359.db2.gz VOCUONPYIIQMQT-UHFFFAOYSA-N 0 1 311.429 3.680 20 30 DHEDMN CCC(CC)CN(CCC#N)Cc1cc2ccccc2[nH]c1=O ZINC000173549934 337136360 /nfs/dbraw/zinc/13/63/60/337136360.db2.gz VOCUONPYIIQMQT-UHFFFAOYSA-N 0 1 311.429 3.680 20 30 DHEDMN N#CC(C(=O)c1ccc(Oc2ccccc2)o1)c1ccccn1 ZINC000176526688 337152033 /nfs/dbraw/zinc/15/20/33/337152033.db2.gz JHTFOFMQESYFNW-CQSZACIVSA-N 0 1 304.305 3.957 20 30 DHEDMN N#C[C@@H](C(=O)c1ccc(Oc2ccccc2)o1)c1ccccn1 ZINC000176526688 337152034 /nfs/dbraw/zinc/15/20/34/337152034.db2.gz JHTFOFMQESYFNW-CQSZACIVSA-N 0 1 304.305 3.957 20 30 DHEDMN CCOc1cc(Cl)ccc1C(=O)C(C#N)c1nc(C)cs1 ZINC000181390459 337181940 /nfs/dbraw/zinc/18/19/40/337181940.db2.gz DPVRUCQFTNRAFG-LBPRGKRZSA-N 0 1 320.801 3.994 20 30 DHEDMN N#C[C@H](C(=O)c1csc(Cl)c1)c1cnc2ccccc2n1 ZINC000190970170 337291896 /nfs/dbraw/zinc/29/18/96/337291896.db2.gz KDPBXMCPGBZLPL-JTQLQIEISA-N 0 1 313.769 3.835 20 30 DHEDMN N#CC(C(=O)c1csc(Cl)c1)c1cnc2ccccc2n1 ZINC000190970170 337291897 /nfs/dbraw/zinc/29/18/97/337291897.db2.gz KDPBXMCPGBZLPL-JTQLQIEISA-N 0 1 313.769 3.835 20 30 DHEDMN Cc1nc2c(s1)[C@H](N(C)Cc1ccc(C#N)c(F)c1)CCC2 ZINC000192104588 337302978 /nfs/dbraw/zinc/30/29/78/337302978.db2.gz CLJJKMMYTIGUMR-MRXNPFEDSA-N 0 1 315.417 3.972 20 30 DHEDMN C=CCCCCN1CCC[C@@H]1c1nc(C(=O)OC)c(C)s1 ZINC000583303777 337312264 /nfs/dbraw/zinc/31/22/64/337312264.db2.gz QSTHZUQKAIIPEO-CYBMUJFWSA-N 0 1 308.447 3.731 20 30 DHEDMN C=CC[N@H+](CC[C@@H](C(=O)[O-])c1ccccc1)Cc1ccccc1 ZINC000584638877 337379698 /nfs/dbraw/zinc/37/96/98/337379698.db2.gz RHZLXEFLLIEGRP-LJQANCHMSA-N 0 1 309.409 3.933 20 30 DHEDMN C[C@H](NCc1ccc(Br)o1)c1ccc(C#N)cc1 ZINC000037508432 337395692 /nfs/dbraw/zinc/39/56/92/337395692.db2.gz NRYZQSQWUXLKMR-JTQLQIEISA-N 0 1 305.175 3.765 20 30 DHEDMN Cc1ccc2c(c1)[C@H](NCc1cccc(OCCCC#N)c1)CO2 ZINC000123507764 337399688 /nfs/dbraw/zinc/39/96/88/337399688.db2.gz NEWGEEGAFPSKFH-LJQANCHMSA-N 0 1 322.408 3.901 20 30 DHEDMN C=CCC[C@@H](O)CN[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000269667367 337637446 /nfs/dbraw/zinc/63/74/46/337637446.db2.gz QOAPJLGUXDARQM-SJLPKXTDSA-N 0 1 316.832 3.741 20 30 DHEDMN Cc1c([C@@H](C)NCc2ccc(C#N)s2)cnn1C(C)(C)C ZINC000421881574 337658694 /nfs/dbraw/zinc/65/86/94/337658694.db2.gz OZFHIRSFXHDLFA-LLVKDONJSA-N 0 1 302.447 3.731 20 30 DHEDMN C=C(C)CN1CCC(Nc2ncc(C(F)(F)F)s2)CC1 ZINC000276943584 337665725 /nfs/dbraw/zinc/66/57/25/337665725.db2.gz ULJZGLLXQKIIBD-UHFFFAOYSA-N 0 1 305.369 3.614 20 30 DHEDMN C[C@H](NCC(=O)Nc1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000119327741 337857601 /nfs/dbraw/zinc/85/76/01/337857601.db2.gz UAZPLLDWALBKFB-LBPRGKRZSA-N 0 1 313.788 3.501 20 30 DHEDMN COc1ccc(C#N)cc1CN[C@H](c1ncccc1C)C(C)C ZINC000121936615 337902483 /nfs/dbraw/zinc/90/24/83/337902483.db2.gz VSVKDBRKLMXAQE-SFHVURJKSA-N 0 1 309.413 3.757 20 30 DHEDMN C=CCSc1ccccc1NC(=O)CN1CC[C@@H]2CCC[C@H]21 ZINC000426455103 338032609 /nfs/dbraw/zinc/03/26/09/338032609.db2.gz AQPPMSHLURRFRO-GOEBONIOSA-N 0 1 316.470 3.778 20 30 DHEDMN C=C[C@@H]1CCCCN1Cc1cc(OC)c(OC)cc1SC ZINC000426556428 338034558 /nfs/dbraw/zinc/03/45/58/338034558.db2.gz BDNZVMIBXHDJPK-CQSZACIVSA-N 0 1 307.459 3.966 20 30 DHEDMN CCCc1ccc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000428786783 338060992 /nfs/dbraw/zinc/06/09/92/338060992.db2.gz WZHRYDBCZVEDCM-LJQANCHMSA-N 0 1 321.424 3.559 20 30 DHEDMN N#Cc1c(F)cccc1CN[C@H]1CCC[C@@H]1OCc1ccccc1 ZINC000428957358 338066564 /nfs/dbraw/zinc/06/65/64/338066564.db2.gz SIVBQLLWPILZSU-PMACEKPBSA-N 0 1 324.399 3.925 20 30 DHEDMN N#Cc1c(F)cccc1CN1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000428960024 338066795 /nfs/dbraw/zinc/06/67/95/338066795.db2.gz ZNSGCCYHEDUKGU-KFKAGJAMSA-N 0 1 316.420 3.603 20 30 DHEDMN C[C@H]1CN(c2ccc(Cl)c(F)c2)CCN1CCC(C)(C)C#N ZINC000428993419 338067870 /nfs/dbraw/zinc/06/78/70/338067870.db2.gz CRZZMPJZDWDBOS-ZDUSSCGKSA-N 0 1 323.843 3.929 20 30 DHEDMN C=CCn1c(C)cc(C(=O)CN(C2CCC2)C2CCC2)c1C ZINC000429141774 338071782 /nfs/dbraw/zinc/07/17/82/338071782.db2.gz KZBVNMMOLRUGNO-UHFFFAOYSA-N 0 1 300.446 3.881 20 30 DHEDMN C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000429236204 338074292 /nfs/dbraw/zinc/07/42/92/338074292.db2.gz LNQFUMPMFHBDHP-INIZCTEOSA-N 0 1 323.415 3.602 20 30 DHEDMN CC(C)(CO)[C@@H](NCc1cc(C#N)ccc1F)c1ccccc1 ZINC000429726334 338088513 /nfs/dbraw/zinc/08/85/13/338088513.db2.gz PPHFCQSGGKLYQG-SFHVURJKSA-N 0 1 312.388 3.547 20 30 DHEDMN CN(CCCc1ccccc1Br)CC(C)(C)C#N ZINC000433308895 338191048 /nfs/dbraw/zinc/19/10/48/338191048.db2.gz YZFRBJCUZCKAQM-UHFFFAOYSA-N 0 1 309.251 3.863 20 30 DHEDMN CCc1cccc2c(C=C(C)c3nc(C)c(C#N)c(=O)[nH]3)c[nH]c21 ZINC000435338712 338237404 /nfs/dbraw/zinc/23/74/04/338237404.db2.gz IJQFCEWWPQMGJZ-FLIBITNWSA-N 0 1 318.380 3.554 20 30 DHEDMN N#Cc1c(CN2CCS[C@H]3CCCC[C@@H]32)cn2ccccc12 ZINC000437536156 338313023 /nfs/dbraw/zinc/31/30/23/338313023.db2.gz MWRBRMFJACAEMU-ROUUACIJSA-N 0 1 311.454 3.671 20 30 DHEDMN CCCCOC1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000437573385 338313795 /nfs/dbraw/zinc/31/37/95/338313795.db2.gz AGOSJNRDOUQWIZ-UHFFFAOYSA-N 0 1 305.849 3.973 20 30 DHEDMN CCCCN1C(=O)N=NC1SCc1ccc(C#N)cc1Cl ZINC000438896139 338355083 /nfs/dbraw/zinc/35/50/83/338355083.db2.gz QUXOEEOLOGWLIJ-UHFFFAOYSA-N 0 1 322.821 3.601 20 30 DHEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000440910351 338399829 /nfs/dbraw/zinc/39/98/29/338399829.db2.gz CPVOROJNMDSTRI-LJQANCHMSA-N 0 1 308.425 3.610 20 30 DHEDMN C=CCC1(C(=O)NC[C@@H](c2ccsc2)N(C)C)CCCCC1 ZINC000448668734 338423921 /nfs/dbraw/zinc/42/39/21/338423921.db2.gz PQHFPYBQQQBAIL-INIZCTEOSA-N 0 1 320.502 3.994 20 30 DHEDMN CC[C@H](C)n1ncc(NC(=O)c2ccc(C#N)c(O)c2)c1C1CC1 ZINC000442674105 338427173 /nfs/dbraw/zinc/42/71/73/338427173.db2.gz XCDHEWOTLOPLEX-NSHDSACASA-N 0 1 324.384 3.561 20 30 DHEDMN N#C[C@H]1CC[C@@H](NCc2cc(Oc3ccc(F)cc3)ccn2)C1 ZINC000442771817 338430147 /nfs/dbraw/zinc/43/01/47/338430147.db2.gz UIOXWIWBAWORPQ-DZGCQCFKSA-N 0 1 311.360 3.795 20 30 DHEDMN C=C[C@@H]1OCCC[C@H]1NCc1ncc(-c2ccccc2)s1 ZINC000449548221 338636707 /nfs/dbraw/zinc/63/67/07/338636707.db2.gz LRZOJLMKWOOAEQ-CABCVRRESA-N 0 1 300.427 3.633 20 30 DHEDMN Cc1nn(C(C)(C)C)c(C)c1CNCc1ccc(C#N)c(F)c1 ZINC000449732872 338648460 /nfs/dbraw/zinc/64/84/60/338648460.db2.gz DXBCAPCFAVHSGK-UHFFFAOYSA-N 0 1 314.408 3.556 20 30 DHEDMN CC[C@@](C)(COc1ncccc1Cl)NCC1(C#N)CCC1 ZINC000450604832 338693633 /nfs/dbraw/zinc/69/36/33/338693633.db2.gz XSULVMQEEVHVMZ-HNNXBMFYSA-N 0 1 307.825 3.566 20 30 DHEDMN C[C@H]1C[C@@H](c2ccccc2)CN1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459373652 339025284 /nfs/dbraw/zinc/02/52/84/339025284.db2.gz LEJSINMALNBBMD-WMLDXEAASA-N 0 1 321.380 3.844 20 30 DHEDMN C=C(C)[C@@H](NCCn1cc(Cl)cn1)c1ccc(F)c(F)c1 ZINC000459404752 339027426 /nfs/dbraw/zinc/02/74/26/339027426.db2.gz JJAUGXUGPJISBJ-OAHLLOKOSA-N 0 1 311.763 3.722 20 30 DHEDMN N#Cc1csc(CNCC2(Cc3cccc(Cl)c3)CC2)n1 ZINC000459686489 339043050 /nfs/dbraw/zinc/04/30/50/339043050.db2.gz FWBQXUOATHFSPO-UHFFFAOYSA-N 0 1 317.845 3.781 20 30 DHEDMN N#Cc1ccccc1S(=O)(=O)Nc1cccc(C2CCC2)c1 ZINC000461337836 339062116 /nfs/dbraw/zinc/06/21/16/339062116.db2.gz DZYMCQQVHPXJEW-UHFFFAOYSA-N 0 1 312.394 3.627 20 30 DHEDMN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CCCc1ccncc1 ZINC000462309664 339075515 /nfs/dbraw/zinc/07/55/15/339075515.db2.gz CZLSIEDZDBRZDU-PMACEKPBSA-N 0 1 305.425 3.786 20 30 DHEDMN N#Cc1cc(CN2CC[C@H](c3c(F)cccc3F)C2)ccc1F ZINC000469471677 339290707 /nfs/dbraw/zinc/29/07/07/339290707.db2.gz AVAKIZXLNLPPSV-ZDUSSCGKSA-N 0 1 316.326 3.965 20 30 DHEDMN C=CCOCCCN1CCc2c(Br)cccc2[C@@H]1C ZINC000470762157 339326999 /nfs/dbraw/zinc/32/69/99/339326999.db2.gz PMVWTRBRDZMFKN-ZDUSSCGKSA-N 0 1 324.262 3.961 20 30 DHEDMN Cc1c(CN[C@@H](C)c2ccc(C#N)c(F)c2)cccc1[N+](=O)[O-] ZINC000477744559 339500416 /nfs/dbraw/zinc/50/04/16/339500416.db2.gz UYHYCXZWRBYDFH-LBPRGKRZSA-N 0 1 313.332 3.765 20 30 DHEDMN CCOc1ccc([C@@H](C)NCC#Cc2ccccc2)cc1OC ZINC000484077648 339680646 /nfs/dbraw/zinc/68/06/46/339680646.db2.gz WFPJEUYNRPLIPL-MRXNPFEDSA-N 0 1 309.409 3.796 20 30 DHEDMN C=CCC[C@@H](O)CN1Cc2cc(Br)ccc2C[C@@H]1C ZINC000501418924 340080432 /nfs/dbraw/zinc/08/04/32/340080432.db2.gz MJTMKRPSUOFYDM-BLLLJJGKSA-N 0 1 324.262 3.523 20 30 DHEDMN C=CCCc1ccccc1NC(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC000505023234 340159210 /nfs/dbraw/zinc/15/92/10/340159210.db2.gz KMOOUIGPNPDNTB-JKSUJKDBSA-N 0 1 315.461 3.752 20 30 DHEDMN N#Cc1ccc(F)c(CN2CC[C@H](COc3ccccc3)C2)c1 ZINC000505870236 340180192 /nfs/dbraw/zinc/18/01/92/340180192.db2.gz VALFJPVHCKPHKL-INIZCTEOSA-N 0 1 310.372 3.598 20 30 DHEDMN CN(CCOc1cccc(Cl)c1)Cc1ccc(C#N)s1 ZINC000506162490 340187216 /nfs/dbraw/zinc/18/72/16/340187216.db2.gz AZCZFOALBTYPOJ-UHFFFAOYSA-N 0 1 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ZINC000338353196 525560777 /nfs/dbraw/zinc/56/07/77/525560777.db2.gz KIMWTLMNCLUFQD-LLVKDONJSA-N 0 1 305.303 3.823 20 30 DHEDMN Cc1nc(-c2ccc(CNCc3cccc(C#N)c3)o2)cs1 ZINC000338189185 526570740 /nfs/dbraw/zinc/57/07/40/526570740.db2.gz PYLXRGNMVROJLA-UHFFFAOYSA-N 0 1 309.394 3.873 20 30 DHEDMN Cc1nc(-c2ccc(CNCc3ccc(C#N)cc3)o2)cs1 ZINC000338129870 526571489 /nfs/dbraw/zinc/57/14/89/526571489.db2.gz IUOSSFVFKKCNJE-UHFFFAOYSA-N 0 1 309.394 3.873 20 30 DHEDMN N#Cc1ccc(CN[C@H]2CCCOc3cc(F)ccc32)s1 ZINC000181033053 526626596 /nfs/dbraw/zinc/62/65/96/526626596.db2.gz YJSLCEMURKSBGS-HNNXBMFYSA-N 0 1 302.374 3.762 20 30 DHEDMN N#Cc1ccc(F)c(CN(CCCO)[C@@H]2CCc3ccccc32)c1 ZINC000265212505 526636489 /nfs/dbraw/zinc/63/64/89/526636489.db2.gz MBNMPCVLCVFAQW-HXUWFJFHSA-N 0 1 324.399 3.569 20 30 DHEDMN C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1cccc(C(=O)[O-])c1C#N ZINC000833589169 604613797 /nfs/dbraw/zinc/61/37/97/604613797.db2.gz UQCMTWZDJCJNIA-YOEHRIQHSA-N 0 1 320.392 3.634 20 30 DHEDMN CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(C(=O)[O-])c2C#N)cc1 ZINC000833664543 605068013 /nfs/dbraw/zinc/06/80/13/605068013.db2.gz XFAFCMKOZODSKX-CYBMUJFWSA-N 0 1 324.380 3.506 20 30 DHEDMN C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(C(=O)[O-])ccc1Cl ZINC000833696644 605830962 /nfs/dbraw/zinc/83/09/62/605830962.db2.gz PQWGVVJJIMKJIN-UHFFFAOYSA-N 0 1 314.772 3.542 20 30 DHEDMN C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(C(=O)[O-])ccc1Cl ZINC000833696644 605830964 /nfs/dbraw/zinc/83/09/64/605830964.db2.gz PQWGVVJJIMKJIN-UHFFFAOYSA-N 0 1 314.772 3.542 20 30 DHEDMN C=C(C)C[N@@H+](CC)Cc1ccc(C(=O)[O-])cc1Br ZINC000382507364 971818585 /nfs/dbraw/zinc/81/85/85/971818585.db2.gz YVZYMUMHGLUADU-UHFFFAOYSA-N 0 1 312.207 3.545 20 30 DHEDMN C=C(C)C[N@H+](CC)Cc1ccc(C(=O)[O-])cc1Br ZINC000382507364 971818590 /nfs/dbraw/zinc/81/85/90/971818590.db2.gz YVZYMUMHGLUADU-UHFFFAOYSA-N 0 1 312.207 3.545 20 30 DHEDMN C=CCCCCCN1CC[C@](F)(CNC(=O)OC(C)(C)C)C1 ZINC001209432575 1013275301 /nfs/dbraw/zinc/27/53/01/1013275301.db2.gz 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C=C1CC[NH+]([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC000565102028 974569662 /nfs/dbraw/zinc/56/96/62/974569662.db2.gz BDXROOBCIGTWRG-CYBMUJFWSA-N 0 1 300.185 3.771 20 30 DHEDMN C=CCCC[N@H+](C)Cc1c(Br)cccc1C(=O)[O-] ZINC000652421430 975528850 /nfs/dbraw/zinc/52/88/50/975528850.db2.gz URPDJTUTBOGJLB-UHFFFAOYSA-N 0 1 312.207 3.545 20 30 DHEDMN Cc1cccc([C@H](C)N2CCN(c3ccccc3C#N)CC2)c1 ZINC000441541482 1014323997 /nfs/dbraw/zinc/32/39/97/1014323997.db2.gz DMIFDGVYBGBARU-KRWDZBQOSA-N 0 1 305.425 3.750 20 30 DHEDMN N#Cc1ccc(CNCc2sccc2Br)cc1 ZINC000043675062 1014331018 /nfs/dbraw/zinc/33/10/18/1014331018.db2.gz JEYYKRACNOBRFF-UHFFFAOYSA-N 0 1 307.216 3.672 20 30 DHEDMN Cc1ccnc([C@H]2CCN(CC#Cc3ccc(Cl)cc3)C2)c1 ZINC000580783221 1014347472 /nfs/dbraw/zinc/34/74/72/1014347472.db2.gz PEMCXHTWMSOAQF-KRWDZBQOSA-N 0 1 310.828 3.884 20 30 DHEDMN C=CCN(C)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000121251126 1014360065 /nfs/dbraw/zinc/36/00/65/1014360065.db2.gz RUGKFQIECHSEIM-UHFFFAOYSA-N 0 1 318.218 3.524 20 30 DHEDMN CC(C)(C)c1nc(CNc2cc(C#N)ccc2C(F)(F)F)n[nH]1 ZINC000413411876 1014604921 /nfs/dbraw/zinc/60/49/21/1014604921.db2.gz LFBKEAJLKDKMRO-UHFFFAOYSA-N 0 1 323.322 3.605 20 30 DHEDMN CCOc1ccc(CN(C)Cc2ccc(C#N)cc2)cc1OCC ZINC000126305624 1014637561 /nfs/dbraw/zinc/63/75/61/1014637561.db2.gz BGLBYIGXSPDVDX-UHFFFAOYSA-N 0 1 324.424 3.988 20 30 DHEDMN COc1cc(CN2CC=C(c3ccc(F)cc3)CC2)ccc1C#N ZINC000442802560 1014739710 /nfs/dbraw/zinc/73/97/10/1014739710.db2.gz QAIBVKQTOBTHQM-UHFFFAOYSA-N 0 1 322.383 3.995 20 30 DHEDMN COc1ccccc1[C@H]1CCCN1Cc1ccc(C#N)c(OC)c1 ZINC000442887338 1014762642 /nfs/dbraw/zinc/76/26/42/1014762642.db2.gz XVMYPWSRULJHJF-GOSISDBHSA-N 0 1 322.408 3.913 20 30 DHEDMN Cc1ccnc(OC2CCN([C@@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000442895122 1014764465 /nfs/dbraw/zinc/76/44/65/1014764465.db2.gz IXMMPDIFVJZAGR-INIZCTEOSA-N 0 1 321.424 3.866 20 30 DHEDMN COc1cc(CN(C)Cc2ccc(F)c(Cl)c2)ccc1C#N ZINC000443070616 1014800539 /nfs/dbraw/zinc/80/05/39/1014800539.db2.gz RCSDMPANASVHFS-UHFFFAOYSA-N 0 1 318.779 3.991 20 30 DHEDMN Cc1ccc(-c2cc(C(=O)N(C)c3cccc(C#N)c3)[nH]n2)cc1 ZINC000126516945 1014816003 /nfs/dbraw/zinc/81/60/03/1014816003.db2.gz OUPXPBXEIFYIMM-UHFFFAOYSA-N 0 1 316.364 3.533 20 30 DHEDMN C#C[C@](C)(CC)[NH2+][C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001588367482 983299539 /nfs/dbraw/zinc/29/95/39/983299539.db2.gz VKNVIGCKZOBJIL-TZMCWYRMSA-N 0 1 300.185 3.511 20 30 DHEDMN CC[N@@H+](Cc1ccccc1C)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001596371412 983869086 /nfs/dbraw/zinc/86/90/86/983869086.db2.gz CSGZHELYLJLRKD-GOSISDBHSA-N 0 1 308.381 3.515 20 30 DHEDMN Cc1nc(Cl)cc(N=NCc2ccc(F)c3cccnc23)n1 ZINC000759197753 1015011843 /nfs/dbraw/zinc/01/18/43/1015011843.db2.gz XHPABQIKEBDCSZ-UHFFFAOYSA-N 0 1 315.739 3.572 20 30 DHEDMN C=CC[N@@H+](Cc1cccs1)Cc1ccc(C(=O)[O-])c(C)c1 ZINC001588829313 984313165 /nfs/dbraw/zinc/31/31/65/984313165.db2.gz RJHKDNXAOFSDNY-UHFFFAOYSA-N 0 1 301.411 3.943 20 30 DHEDMN Cc1csc(C(C#N)C(=O)C=Cc2ccc(Cl)cc2)n1 ZINC000047358176 1015069243 /nfs/dbraw/zinc/06/92/43/1015069243.db2.gz GOWRIKIUEOLFDC-LVDDQXARSA-N 0 1 302.786 3.995 20 30 DHEDMN Cc1csc([C@@H](C#N)C(=O)C=Cc2ccc(Cl)cc2)n1 ZINC000047358176 1015069249 /nfs/dbraw/zinc/06/92/49/1015069249.db2.gz GOWRIKIUEOLFDC-LVDDQXARSA-N 0 1 302.786 3.995 20 30 DHEDMN C[C@@H](CC(C)(C)C#N)N[C@H](CO)c1cccc(Cl)c1Cl ZINC000895449522 1015156719 /nfs/dbraw/zinc/15/67/19/1015156719.db2.gz QJUWNSCRIXPJJW-GXFFZTMASA-N 0 1 315.244 3.945 20 30 DHEDMN CC(C)[C@@H](C#N)NC(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843572039 1015313318 /nfs/dbraw/zinc/31/33/18/1015313318.db2.gz STZMECIDFILNFL-SNVBAGLBSA-N 0 1 321.154 3.750 20 30 DHEDMN CC(C)(C)C[C@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC001589764603 988105184 /nfs/dbraw/zinc/10/51/84/988105184.db2.gz PLGHITDXERHCQJ-CYBMUJFWSA-N 0 1 300.402 3.515 20 30 DHEDMN CC(C)c1cc([C@H]2CCC[N@@H+](Cc3csc(C#N)c3)C2)[nH]n1 ZINC000895927476 1015366602 /nfs/dbraw/zinc/36/66/02/1015366602.db2.gz LBXJRVJAVBYOAI-AWEZNQCLSA-N 0 1 314.458 3.846 20 30 DHEDMN CC(C)c1cc([C@H]2CCCN(Cc3csc(C#N)c3)C2)[nH]n1 ZINC000895927476 1015366615 /nfs/dbraw/zinc/36/66/15/1015366615.db2.gz LBXJRVJAVBYOAI-AWEZNQCLSA-N 0 1 314.458 3.846 20 30 DHEDMN N#CC(C(=O)c1cc2[nH]ccc2s1)c1cnc2ccccc2n1 ZINC000361841487 1032120930 /nfs/dbraw/zinc/12/09/30/1032120930.db2.gz DJVDBOLMZCHLFR-JTQLQIEISA-N 0 1 318.361 3.663 20 30 DHEDMN O=C(NC1(c2nnc[nH]2)CCC1)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000329077501 1015635542 /nfs/dbraw/zinc/63/55/42/1015635542.db2.gz BGJVLIUPZVMGRS-MELADBBJSA-N 0 1 302.422 3.747 20 30 DHEDMN CN(Cc1cc(C#N)cs1)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000933769667 1015657261 /nfs/dbraw/zinc/65/72/61/1015657261.db2.gz BVHSJJFTIONEBW-FUHWJXTLSA-N 0 1 312.438 3.972 20 30 DHEDMN O=C(NCC1(c2ccncc2)CCCC1)[C@H]1CCCc2[nH]ncc21 ZINC000329265925 1015672184 /nfs/dbraw/zinc/67/21/84/1015672184.db2.gz HFIRNYVVPBUDDN-HNNXBMFYSA-N 0 1 324.428 3.693 20 30 DHEDMN O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2[nH]cnc2cc1F ZINC000329271923 1015673371 /nfs/dbraw/zinc/67/33/71/1015673371.db2.gz HRYQOYANRXCCTO-UHFFFAOYSA-N 0 1 313.376 3.975 20 30 DHEDMN CCCOc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)ccc1OC ZINC000127389445 1015690657 /nfs/dbraw/zinc/69/06/57/1015690657.db2.gz SADGDOGVIMSJBS-UHFFFAOYSA-N 0 1 324.424 3.988 20 30 DHEDMN CCCOc1cc(CN(C)Cc2ccc(C#N)cc2)ccc1OC ZINC000127389445 1015690663 /nfs/dbraw/zinc/69/06/63/1015690663.db2.gz SADGDOGVIMSJBS-UHFFFAOYSA-N 0 1 324.424 3.988 20 30 DHEDMN O=C(N[C@H](Cc1nc[nH]n1)c1ccccc1)[C@@H]1CC12CCCC2 ZINC000329364580 1015692660 /nfs/dbraw/zinc/69/26/60/1015692660.db2.gz GBCIPWQLMRDWPM-LSDHHAIUSA-N 0 1 310.401 3.625 20 30 DHEDMN COc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)c(OC)c1 ZINC000341761279 1015725255 /nfs/dbraw/zinc/72/52/55/1015725255.db2.gz PRYAPVXZFFNCTB-IBGZPJMESA-N 0 1 322.408 3.743 20 30 DHEDMN N#CCC[C@@H](C#N)CNCCc1ccc(-c2ccccc2)cc1 ZINC000610797707 1015790176 /nfs/dbraw/zinc/79/01/76/1015790176.db2.gz SRPMUAIVYDNORT-SFHVURJKSA-N 0 1 303.409 3.929 20 30 DHEDMN N#CCCC1CCN(Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000399327988 1015795265 /nfs/dbraw/zinc/79/52/65/1015795265.db2.gz LIECHBVJMKKMNX-UHFFFAOYSA-N 0 1 304.821 3.791 20 30 DHEDMN C[C@@H]1CC[C@@H](CC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000247590555 1015848135 /nfs/dbraw/zinc/84/81/35/1015848135.db2.gz MMLISMVZGWLSOV-JMSVASOKSA-N 0 1 318.804 3.814 20 30 DHEDMN CN(CCCOc1cccc(Cl)c1)Cc1ccnc(C#N)c1 ZINC000610991843 1015991070 /nfs/dbraw/zinc/99/10/70/1015991070.db2.gz TWJRNPLFSTUYBC-UHFFFAOYSA-N 0 1 315.804 3.508 20 30 DHEDMN Cn1c2ccccc2nc1NN=C1CCCOc2ccccc21 ZINC000728429696 1016095237 /nfs/dbraw/zinc/09/52/37/1016095237.db2.gz MPTXXHVYIFPNKI-UHFFFAOYSA-N 0 1 306.369 3.562 20 30 DHEDMN CCCCCCCC[N@H+]1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC000934274422 1016348928 /nfs/dbraw/zinc/34/89/28/1016348928.db2.gz TWUBXKIROFABFF-AWEZNQCLSA-N 0 1 307.438 3.688 20 30 DHEDMN CCCN(Cc1cccc(C#N)c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000120038348 1016552065 /nfs/dbraw/zinc/55/20/65/1016552065.db2.gz MVTDACCQMDGHFX-INIZCTEOSA-N 0 1 321.424 3.797 20 30 DHEDMN COc1cc(CN[C@@H](c2ccccc2)[C@@H]2CCCO2)ccc1C#N ZINC000281611912 1016623209 /nfs/dbraw/zinc/62/32/09/1016623209.db2.gz GRQGLBGHTBQJJS-ICSRJNTNSA-N 0 1 322.408 3.577 20 30 DHEDMN CCCN(Cc1cnc2ccccn12)Cc1ccc(C#N)cc1 ZINC000158498238 1016922750 /nfs/dbraw/zinc/92/27/50/1016922750.db2.gz LZNNJUXISCPYQN-UHFFFAOYSA-N 0 1 304.397 3.618 20 30 DHEDMN COc1ccc(-c2n[nH]c(SCc3cccc(C#N)c3)n2)cc1 ZINC000006141562 1016997133 /nfs/dbraw/zinc/99/71/33/1016997133.db2.gz WZHQZAOUYXAESM-UHFFFAOYSA-N 0 1 322.393 3.644 20 30 DHEDMN C=CCCC(=O)CSc1nc(-c2ccc3c(c2)CCC3)n[nH]1 ZINC000342712097 1017066791 /nfs/dbraw/zinc/06/67/91/1017066791.db2.gz ZBOYFFNYLPCXQM-UHFFFAOYSA-N 0 1 313.426 3.588 20 30 DHEDMN Cc1csc(C(C#N)C(=O)c2cnc3ccccc3c2C)n1 ZINC000361983406 1032182055 /nfs/dbraw/zinc/18/20/55/1032182055.db2.gz IKHJDTZHPFSFDQ-ZDUSSCGKSA-N 0 1 307.378 3.798 20 30 DHEDMN CCc1ccncc1NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC001171278211 1032226579 /nfs/dbraw/zinc/22/65/79/1032226579.db2.gz YWOLFLIQSZPBEY-UHFFFAOYSA-N 0 1 320.440 3.614 20 30 DHEDMN CC(C)CCN(CCC#N)CCC(=O)Nc1cccc(Cl)c1 ZINC000362185978 1032263839 /nfs/dbraw/zinc/26/38/39/1032263839.db2.gz MCOINXQBKVWQJA-UHFFFAOYSA-N 0 1 321.852 3.930 20 30 DHEDMN N#Cc1c(F)cccc1CN1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000794411361 1032289172 /nfs/dbraw/zinc/28/91/72/1032289172.db2.gz DEPAKCKVJUXNQD-WOJBJXKFSA-N 0 1 324.399 3.785 20 30 DHEDMN C#CCOc1ccccc1CN[C@H](C)c1cc(F)cc(F)c1 ZINC000772988354 1032373404 /nfs/dbraw/zinc/37/34/04/1032373404.db2.gz PQAVVWGIDHUAOI-CYBMUJFWSA-N 0 1 301.336 3.828 20 30 DHEDMN C=C(C)CN(CC)C(=O)CN[C@H](C)c1ccc(OC(C)C)cc1 ZINC000179526244 1017262938 /nfs/dbraw/zinc/26/29/38/1017262938.db2.gz JJAATBAFHBSQNR-MRXNPFEDSA-N 0 1 318.461 3.549 20 30 DHEDMN CC[C@H](C#N)Oc1cccc(CNCc2cc(C)ccc2OC)c1 ZINC000073012289 1017090039 /nfs/dbraw/zinc/09/00/39/1017090039.db2.gz ZIADTSHGVCMDSD-GOSISDBHSA-N 0 1 324.424 3.974 20 30 DHEDMN CCc1nc(C)c([C@@H](C)NCc2ccc(OC)c(C#N)c2)s1 ZINC000773072747 1032546943 /nfs/dbraw/zinc/54/69/43/1032546943.db2.gz BKKRVLBZEHRWIG-LLVKDONJSA-N 0 1 315.442 3.745 20 30 DHEDMN CC(C)c1nccnc1N=NC1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000773085627 1032552994 /nfs/dbraw/zinc/55/29/94/1032552994.db2.gz KAVHFTMSSBNIPH-OAHLLOKOSA-N 0 1 323.444 3.662 20 30 DHEDMN COc1ccc(CN[C@H]2CC(C)(C)Cc3occc32)cc1C#N ZINC000773086205 1032554753 /nfs/dbraw/zinc/55/47/53/1032554753.db2.gz ZZRAIJFIPWJBAJ-INIZCTEOSA-N 0 1 310.397 3.963 20 30 DHEDMN CC(C)c1nccnc1NN=C1C[C@H](C)c2c1c(O)ccc2F ZINC000773090562 1032556355 /nfs/dbraw/zinc/55/63/55/1032556355.db2.gz IMBHBJKVXIATGP-JTQLQIEISA-N 0 1 314.364 3.768 20 30 DHEDMN CC1(C)CCCC[C@H]1NN=Cc1ccc(N2CCCC2)nc1 ZINC000773123927 1032565638 /nfs/dbraw/zinc/56/56/38/1032565638.db2.gz HRABCHFQFCPMHP-MRXNPFEDSA-N 0 1 300.450 3.574 20 30 DHEDMN COc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)c(Br)c1 ZINC000424329734 1011982722 /nfs/dbraw/zinc/98/27/22/1011982722.db2.gz PVHADVADFOCIPD-SDDRHHMPSA-N 0 1 323.234 3.801 20 30 DHEDMN C=C(Cl)CN[C@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000796818562 1012350696 /nfs/dbraw/zinc/35/06/96/1012350696.db2.gz OOBSURZENQTQDQ-QGZVFWFLSA-N 0 1 302.805 3.716 20 30 DHEDMN Cc1[nH]ncc1CN(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N ZINC000425366378 1012495971 /nfs/dbraw/zinc/49/59/71/1012495971.db2.gz PNLSCMCRELOWTQ-LLVKDONJSA-N 0 1 322.334 3.651 20 30 DHEDMN Cc1ccnc(NN=C2CCc3c2cccc3Br)c1 ZINC000773203303 1032631462 /nfs/dbraw/zinc/63/14/62/1032631462.db2.gz MKBGXLAABOIOFI-UHFFFAOYSA-N 0 1 316.202 3.915 20 30 DHEDMN CC(C)N(Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1F ZINC000339710572 1012808489 /nfs/dbraw/zinc/80/84/89/1012808489.db2.gz LQSFDCWDPFFWAX-UHFFFAOYSA-N 0 1 307.372 3.980 20 30 DHEDMN C=CCCN(C)[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000475325115 1017142450 /nfs/dbraw/zinc/14/24/50/1017142450.db2.gz RDEVGVNQTNOBPV-CQSZACIVSA-N 0 1 313.228 3.607 20 30 DHEDMN C=CCCC[N@H+](C)[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000076736655 1017433932 /nfs/dbraw/zinc/43/39/32/1017433932.db2.gz LOZMLUFDWCCGCV-NSHDSACASA-N 0 1 305.447 3.560 20 30 DHEDMN C=CCCCN(C)[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000076736655 1017433937 /nfs/dbraw/zinc/43/39/37/1017433937.db2.gz LOZMLUFDWCCGCV-NSHDSACASA-N 0 1 305.447 3.560 20 30 DHEDMN COc1cc(/C=C\C(=O)c2ccccc2O)cc(Cl)c1O ZINC000255540051 1017491934 /nfs/dbraw/zinc/49/19/34/1017491934.db2.gz AXWNJPQFDSDDRP-SREVYHEPSA-N 0 1 304.729 3.656 20 30 DHEDMN C=CCC[C@@H](NC[C@@H](n1cccn1)C(F)(F)F)c1ccco1 ZINC000624043935 1017655841 /nfs/dbraw/zinc/65/58/41/1017655841.db2.gz CUVKISWBUZEMPG-TZMCWYRMSA-N 0 1 313.323 3.877 20 30 DHEDMN C=CCC[C@@H](NC[C@H](n1cccn1)C(F)(F)F)c1ccco1 ZINC000624043934 1017656534 /nfs/dbraw/zinc/65/65/34/1017656534.db2.gz CUVKISWBUZEMPG-OCCSQVGLSA-N 0 1 313.323 3.877 20 30 DHEDMN Cc1cccc2nc([C@H](C#N)C(=O)Nc3ccc(C)c(C)c3)[nH]c21 ZINC000487505043 1017663845 /nfs/dbraw/zinc/66/38/45/1017663845.db2.gz PKYKGLVJIATTEG-HNNXBMFYSA-N 0 1 318.380 3.734 20 30 DHEDMN C#CC[C@@H]1CCCN([C@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC001171489294 1032729192 /nfs/dbraw/zinc/72/91/92/1032729192.db2.gz GFNNIEMIFAOVGK-HUUCEWRRSA-N 0 1 318.848 3.711 20 30 DHEDMN C=CCC(CC=C)C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000675156043 1018275913 /nfs/dbraw/zinc/27/59/13/1018275913.db2.gz AXTVGDIQKGYNRH-UHFFFAOYSA-N 0 1 303.793 3.601 20 30 DHEDMN COCCN(Cc1cc(C#N)ccc1OC)[C@H](C)c1ccccc1 ZINC000446863996 1018277559 /nfs/dbraw/zinc/27/75/59/1018277559.db2.gz XWFKQSQDNKOENM-MRXNPFEDSA-N 0 1 324.424 3.776 20 30 DHEDMN CCC(N=Nc1ccc([N+](=O)[O-])cc1)c1ccc(O)c(F)c1 ZINC000764642028 1018337812 /nfs/dbraw/zinc/33/78/12/1018337812.db2.gz VYYNMKFYUQUQHB-UHFFFAOYSA-N 0 1 303.293 3.666 20 30 DHEDMN N#Cc1ccc(CN[C@H]2CCCc3cc(OC(F)F)ccc32)o1 ZINC000174324041 1018416015 /nfs/dbraw/zinc/41/60/15/1018416015.db2.gz AWONJNHSICGSMP-INIZCTEOSA-N 0 1 318.323 3.920 20 30 DHEDMN C[C@H](NCc1cc(F)c(N(C)C)cc1F)c1ccc(C#N)cc1 ZINC000858092579 1032765018 /nfs/dbraw/zinc/76/50/18/1032765018.db2.gz GEBIBAQDKIFEEE-LBPRGKRZSA-N 0 1 315.367 3.753 20 30 DHEDMN Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc(OCC#N)cc2)n1 ZINC000766135665 1018477825 /nfs/dbraw/zinc/47/78/25/1018477825.db2.gz NBMYBAIKZRBOHW-LJQANCHMSA-N 0 1 307.397 3.630 20 30 DHEDMN Cc1cc([C@H](C#N)C(=O)c2ccc(-c3ccco3)s2)nc(C)n1 ZINC000675907285 1018629638 /nfs/dbraw/zinc/62/96/38/1018629638.db2.gz SBSXHMAHWLUSTC-LBPRGKRZSA-N 0 1 323.377 3.905 20 30 DHEDMN Cc1cc(C(C#N)C(=O)c2ccc(-c3ccco3)s2)nc(C)n1 ZINC000675907285 1018629642 /nfs/dbraw/zinc/62/96/42/1018629642.db2.gz SBSXHMAHWLUSTC-LBPRGKRZSA-N 0 1 323.377 3.905 20 30 DHEDMN Cc1c(CNc2ccnc(CC#N)c2)cccc1C(F)(F)F ZINC001168538284 1018727005 /nfs/dbraw/zinc/72/70/05/1018727005.db2.gz DHJMGEUYNKKPEN-UHFFFAOYSA-N 0 1 305.303 3.509 20 30 DHEDMN CC[C@H](C#N)Oc1cccc(CNCc2ccnn2C2CCC2)c1 ZINC000921742833 1018730055 /nfs/dbraw/zinc/73/00/55/1018730055.db2.gz NMAYRWIPIGSMJL-GOSISDBHSA-N 0 1 324.428 3.579 20 30 DHEDMN CC[C@@H](C#N)Oc1cccc(CNCc2cccc3c2OCC3)c1 ZINC000921743316 1018733016 /nfs/dbraw/zinc/73/30/16/1018733016.db2.gz OVZBLLMNNMANRW-SFHVURJKSA-N 0 1 322.408 3.592 20 30 DHEDMN CCc1cnccc1C(C)=NNc1ccc(C(F)(F)F)cn1 ZINC000765552367 1018909742 /nfs/dbraw/zinc/90/97/42/1018909742.db2.gz DPBROHCBDLLWLB-UHFFFAOYSA-N 0 1 308.307 3.894 20 30 DHEDMN Cc1cc(C)cc(CN2CCN(c3cccc(F)c3C#N)CC2)c1 ZINC000030967910 1019210105 /nfs/dbraw/zinc/21/01/05/1019210105.db2.gz AEJCIZYRKBRXPM-UHFFFAOYSA-N 0 1 323.415 3.636 20 30 DHEDMN C=CCC(CC=C)C(=O)OC[C@H]1CCC[N@H+]1Cc1ccco1 ZINC000765967292 1019285962 /nfs/dbraw/zinc/28/59/62/1019285962.db2.gz BFCHQPAGJMXVOG-MRXNPFEDSA-N 0 1 303.402 3.556 20 30 DHEDMN C=CCC(CC=C)C(=O)OC[C@H]1CCCN1Cc1ccco1 ZINC000765967292 1019285985 /nfs/dbraw/zinc/28/59/85/1019285985.db2.gz BFCHQPAGJMXVOG-MRXNPFEDSA-N 0 1 303.402 3.556 20 30 DHEDMN C=CCN(Cc1[nH]nc2ccccc21)Cc1cccc([N+](=O)[O-])c1 ZINC000611266478 1019428164 /nfs/dbraw/zinc/42/81/64/1019428164.db2.gz AGAVGGAGSSQKOZ-UHFFFAOYSA-N 0 1 322.368 3.659 20 30 DHEDMN CC(C)c1ccccc1NC(=O)CN[C@H](C)c1cccc(C#N)c1 ZINC000611387303 1019461516 /nfs/dbraw/zinc/46/15/16/1019461516.db2.gz JWBUCPXLNNOEQE-OAHLLOKOSA-N 0 1 321.424 3.971 20 30 DHEDMN CCCCN(CCCC)C(=O)CN[C@H](C)c1cccc(C#N)c1 ZINC000611387291 1019462628 /nfs/dbraw/zinc/46/26/28/1019462628.db2.gz JJCUKVGUHKSRCG-MRXNPFEDSA-N 0 1 315.461 3.638 20 30 DHEDMN C[C@@H](NCc1cc2c(c(Cl)c1)OCO2)c1cccc(C#N)c1 ZINC000611388187 1019462938 /nfs/dbraw/zinc/46/29/38/1019462938.db2.gz YJLBOTKKADKEAD-LLVKDONJSA-N 0 1 314.772 3.791 20 30 DHEDMN C[C@@H](NCC(=O)Nc1ccccc1Cl)c1cccc(C#N)c1 ZINC000611387076 1019462997 /nfs/dbraw/zinc/46/29/97/1019462997.db2.gz DUEQMTIUODRDGI-GFCCVEGCSA-N 0 1 313.788 3.501 20 30 DHEDMN Cc1ccn2cc(CN[C@H]3CCCc4cc(C#N)ccc43)nc2c1 ZINC000611392325 1019465889 /nfs/dbraw/zinc/46/58/89/1019465889.db2.gz SAIDTMYPHICGHN-IBGZPJMESA-N 0 1 316.408 3.682 20 30 DHEDMN Cc1ccc2[nH]c(CN[C@H]3CCCc4cc(C#N)ccc43)nc2c1 ZINC000611393568 1019469150 /nfs/dbraw/zinc/46/91/50/1019469150.db2.gz HOQBLUJQNVLKKU-KRWDZBQOSA-N 0 1 316.408 3.910 20 30 DHEDMN Cc1ccc2nc(CN[C@H]3CCCc4cc(C#N)ccc43)[nH]c2c1 ZINC000611393568 1019469152 /nfs/dbraw/zinc/46/91/52/1019469152.db2.gz 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ZINC000727265059 1019677552 /nfs/dbraw/zinc/67/75/52/1019677552.db2.gz GQOIWZQBHNUCNH-UHFFFAOYSA-N 0 1 310.397 3.964 20 30 DHEDMN CCCCc1nc2ccc(NC(=O)C3(C#N)CCCC3)cc2[nH]1 ZINC000068258953 1019873549 /nfs/dbraw/zinc/87/35/49/1019873549.db2.gz SMXDDIIUVJTUHW-UHFFFAOYSA-N 0 1 310.401 3.928 20 30 DHEDMN COc1cccc2c1OCC[C@@H]2NCc1c(C)cc(C#N)cc1C ZINC000922225996 1019905584 /nfs/dbraw/zinc/90/55/84/1019905584.db2.gz HVKMDDSBXHDLFG-SFHVURJKSA-N 0 1 322.408 3.797 20 30 DHEDMN CCC(N=Nc1ccnc2ccccc12)c1ccc(OC)cc1 ZINC000730148562 1019954710 /nfs/dbraw/zinc/95/47/10/1019954710.db2.gz XITBCODODVWNAZ-UHFFFAOYSA-N 0 1 305.381 3.892 20 30 DHEDMN CC(C)CNC(=S)Nc1ccccc1SC[C@@H](C)C#N ZINC000730954976 1020046128 /nfs/dbraw/zinc/04/61/28/1020046128.db2.gz QKBIAXUGTLVFAJ-LBPRGKRZSA-N 0 1 307.488 3.881 20 30 DHEDMN Fc1ccc(NN=Cc2ccccc2OCc2ccncc2)nc1 ZINC000731321596 1020090436 /nfs/dbraw/zinc/09/04/36/1020090436.db2.gz LUKPFTKNUMGORF-UHFFFAOYSA-N 0 1 322.343 3.641 20 30 DHEDMN Fc1ccc(N=NCc2cnn(-c3ccc(Cl)cc3)c2)nc1 ZINC000731319126 1020095501 /nfs/dbraw/zinc/09/55/01/1020095501.db2.gz OFCFZLXIFRNOAP-UHFFFAOYSA-N 0 1 315.739 3.506 20 30 DHEDMN COCCN(Cc1coc2ccccc12)Cc1ccc(C#N)cc1 ZINC000092567704 1020100003 /nfs/dbraw/zinc/10/00/03/1020100003.db2.gz RAPFLWXOBROYER-UHFFFAOYSA-N 0 1 320.392 3.953 20 30 DHEDMN C=CCC[C@H](NCc1ccc(CNC(C)=O)cc1)c1ccco1 ZINC000658074529 1020120134 /nfs/dbraw/zinc/12/01/34/1020120134.db2.gz VXULPCNWZAMFNO-SFHVURJKSA-N 0 1 312.413 3.713 20 30 DHEDMN C=CCc1cc(CN[C@H](c2ccccn2)C2CC2)cc(OC)c1O ZINC000922587144 1020148966 /nfs/dbraw/zinc/14/89/66/1020148966.db2.gz WZILTZDEWOXPIH-IBGZPJMESA-N 0 1 324.424 3.765 20 30 DHEDMN COc1cc(C(=O)C(C#N)c2nc(C3CC3)cs2)ccc1C ZINC000647373658 1020221967 /nfs/dbraw/zinc/22/19/67/1020221967.db2.gz MGJOVKILEQYABY-CYBMUJFWSA-N 0 1 312.394 3.828 20 30 DHEDMN CC(C)(C)[C@H]1CCCN1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000330621086 1020234317 /nfs/dbraw/zinc/23/43/17/1020234317.db2.gz LNYWLFZDURYQOF-OAHLLOKOSA-N 0 1 319.836 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310.397 3.838 20 30 DHEDMN Cc1cccc([C@H]2CCCN2Cc2cnc3ccc(C#N)cn23)c1 ZINC000153517916 1020322865 /nfs/dbraw/zinc/32/28/65/1020322865.db2.gz ACKBFHFCAPIGJJ-LJQANCHMSA-N 0 1 316.408 3.852 20 30 DHEDMN C#CCCOc1ccc(CN[C@@H]2CCCc3cccnc32)cc1 ZINC000922880567 1020326803 /nfs/dbraw/zinc/32/68/03/1020326803.db2.gz RMPVPCVKYMFKAP-LJQANCHMSA-N 0 1 306.409 3.651 20 30 DHEDMN C[C@@H](C#N)Oc1ccc(CN[C@@H]2CCCc3cccnc32)cc1 ZINC000922881163 1020327951 /nfs/dbraw/zinc/32/79/51/1020327951.db2.gz UYYNFHPWLFXUTQ-KBXCAEBGSA-N 0 1 307.397 3.540 20 30 DHEDMN C#CCCOc1ccc(CNCc2cccnc2OC(C)C)cc1 ZINC000733324700 1020372814 /nfs/dbraw/zinc/37/28/14/1020372814.db2.gz UURYYRAMMWQMCS-UHFFFAOYSA-N 0 1 324.424 3.561 20 30 DHEDMN CCCOc1ccc(CN=Nc2cnnc3ccccc23)cc1 ZINC000733748047 1020437401 /nfs/dbraw/zinc/43/74/01/1020437401.db2.gz DAJWFOZXSAWAMZ-UHFFFAOYSA-N 0 1 306.369 3.865 20 30 DHEDMN CCN(CCC#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171853642 1032906495 /nfs/dbraw/zinc/90/64/95/1032906495.db2.gz YFGKCXUGZHWTDS-OAHLLOKOSA-N 0 1 321.465 3.544 20 30 DHEDMN O=c1[nH]c(N=NC2CCC(C(F)(F)F)CC2)nc2ccccc21 ZINC000766025389 1020474164 /nfs/dbraw/zinc/47/41/64/1020474164.db2.gz QHJDMEJELIQEQJ-UHFFFAOYSA-N 0 1 324.306 3.856 20 30 DHEDMN COCCN(Cc1ccc(C#N)cc1)Cc1ccc2occc2c1 ZINC000347658854 1020476462 /nfs/dbraw/zinc/47/64/62/1020476462.db2.gz VQVQMUGEIQJJAL-UHFFFAOYSA-N 0 1 320.392 3.953 20 30 DHEDMN N#Cc1cc(CNCc2cccc(OCC(F)F)c2)cs1 ZINC000921692004 1020489684 /nfs/dbraw/zinc/48/96/84/1020489684.db2.gz OPWKFSUJDJXEHX-UHFFFAOYSA-N 0 1 308.353 3.553 20 30 DHEDMN O=C(/C=C/c1nccn1Cc1ccccc1)c1ccc(O)c(F)c1 ZINC000734094577 1020552858 /nfs/dbraw/zinc/55/28/58/1020552858.db2.gz DASANZQLYUKSJU-CMDGGOBGSA-N 0 1 322.339 3.672 20 30 DHEDMN COc1ccnc([C@H](C)NC2(c3ccc(C#N)cc3)CCC2)c1 ZINC000926672448 1020571555 /nfs/dbraw/zinc/57/15/55/1020571555.db2.gz SYXZSNCAKWNFIR-AWEZNQCLSA-N 0 1 307.397 3.692 20 30 DHEDMN C=CCOc1ccccc1CNCc1cnn(CC2CCC2)c1 ZINC000921726201 1020580978 /nfs/dbraw/zinc/58/09/78/1020580978.db2.gz XFBLEHCPOFEIHS-UHFFFAOYSA-N 0 1 311.429 3.538 20 30 DHEDMN Cc1nc2ccccn2c1CN=Nc1cc(F)c(F)cc1F ZINC000734301743 1020583427 /nfs/dbraw/zinc/58/34/27/1020583427.db2.gz NAYNSDGMHNJIDX-UHFFFAOYSA-N 0 1 304.275 3.506 20 30 DHEDMN CCCCCCCNCc1csc(N(C(C)=O)C2CC2)n1 ZINC000734507245 1020615199 /nfs/dbraw/zinc/61/51/99/1020615199.db2.gz RPMHSUDYOJOFCM-UHFFFAOYSA-N 0 1 309.479 3.718 20 30 DHEDMN CCc1nn(C)c(Cl)c1CN=Nc1nccc2sccc21 ZINC000734745449 1020651809 /nfs/dbraw/zinc/65/18/09/1020651809.db2.gz HSXQUTRTUXTPFF-UHFFFAOYSA-N 0 1 319.821 3.692 20 30 DHEDMN N#CCOc1ccc(Cl)cc1CN1CC[C@@H](c2ccco2)C1 ZINC000735309066 1020715754 /nfs/dbraw/zinc/71/57/54/1020715754.db2.gz FBDMXYSAPIMUMD-CYBMUJFWSA-N 0 1 316.788 3.825 20 30 DHEDMN COc1cc2ccccc2cc1C(=O)C(C#N)c1ccccn1 ZINC000612893423 1020740457 /nfs/dbraw/zinc/74/04/57/1020740457.db2.gz GBRIADFCEKKRMN-MRXNPFEDSA-N 0 1 302.333 3.733 20 30 DHEDMN Cc1ncc(C=CC(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)s1 ZINC000735790679 1020767014 /nfs/dbraw/zinc/76/70/14/1020767014.db2.gz OUHIRKSPUQRONI-KTRBRXNASA-N 0 1 322.393 3.526 20 30 DHEDMN Cc1cccc2nc([C@@H](C#N)C(=O)C=Cc3cccc(F)c3)[nH]c21 ZINC000735791522 1020767182 /nfs/dbraw/zinc/76/71/82/1020767182.db2.gz QQQKORVGMBSIFU-HVHJFMEUSA-N 0 1 319.339 3.900 20 30 DHEDMN Clc1ccc(Cl)c(C=NNc2cccnn2)c1Cl ZINC000735975226 1020784691 /nfs/dbraw/zinc/78/46/91/1020784691.db2.gz XIZNQNBXOALOQF-UHFFFAOYSA-N 0 1 301.564 3.883 20 30 DHEDMN CN(Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 ZINC000580080008 1020814110 /nfs/dbraw/zinc/81/41/10/1020814110.db2.gz LXFGAVJAVXPWRZ-SFHVURJKSA-N 0 1 321.380 3.976 20 30 DHEDMN Cc1cc(C(C#N)C(=O)CC/C=C\c2ccccc2)nc(C)n1 ZINC000739143863 1020900959 /nfs/dbraw/zinc/90/09/59/1020900959.db2.gz NKVGDIYCPSEFDM-XBMZPMPPSA-N 0 1 305.381 3.763 20 30 DHEDMN N#CC(C(=O)C1(C2CC2)CC1)c1nc2ccccc2n1C(F)F ZINC000892539464 1020913781 /nfs/dbraw/zinc/91/37/81/1020913781.db2.gz YOJPNKWQHDJXDQ-NSHDSACASA-N 0 1 315.323 3.798 20 30 DHEDMN CCn1cc(CNCc2cccc(-c3ccc(C#N)s3)c2)cn1 ZINC000740014155 1020927273 /nfs/dbraw/zinc/92/72/73/1020927273.db2.gz NGQKPVDYZCTBFC-UHFFFAOYSA-N 0 1 322.437 3.793 20 30 DHEDMN C[C@H]([NH2+]CC(C)(C)CC#N)c1cc(Br)ccc1[O-] ZINC000840787345 1020944633 /nfs/dbraw/zinc/94/46/33/1020944633.db2.gz KJDZXJKSQDLCFD-JTQLQIEISA-N 0 1 311.223 3.745 20 30 DHEDMN CCC(=NN=c1[nH]c2ccccc2n1C)c1cccc(OC)c1 ZINC000740760784 1020945878 /nfs/dbraw/zinc/94/58/78/1020945878.db2.gz NQDSHMIEUFEVGQ-UHFFFAOYSA-N 0 1 308.385 3.808 20 30 DHEDMN CC(=NNc1ccc(Cl)cc1[N+](=O)[O-])c1cncc(F)c1 ZINC000737430287 1021000203 /nfs/dbraw/zinc/00/02/03/1021000203.db2.gz OOHOPJKYTCNJQH-UHFFFAOYSA-N 0 1 308.700 3.618 20 30 DHEDMN COc1ccc(CN[C@@H]2CSCc3ccccc32)cc1C#N ZINC000742368635 1021107362 /nfs/dbraw/zinc/10/73/62/1021107362.db2.gz DVZRHJRFUGPNLJ-QGZVFWFLSA-N 0 1 310.422 3.645 20 30 DHEDMN CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2ccoc2)ccc1OC ZINC000180814702 1021170407 /nfs/dbraw/zinc/17/04/07/1021170407.db2.gz RIPTYRSZQIYDOH-BBRMVZONSA-N 0 1 314.385 3.820 20 30 DHEDMN C=CCN(CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)C(C)C ZINC000917168152 1021206600 /nfs/dbraw/zinc/20/66/00/1021206600.db2.gz PXTDUMBQMJTVKQ-UHFFFAOYSA-N 0 1 320.452 3.849 20 30 DHEDMN CCSc1ccccc1CC(=O)Nc1cc(C#N)ccc1O ZINC001152999951 1021242510 /nfs/dbraw/zinc/24/25/10/1021242510.db2.gz MBSHBFSGZHFCAL-UHFFFAOYSA-N 0 1 312.394 3.557 20 30 DHEDMN Fc1cccc(NN=Cc2nccn2Cc2ccccc2)c1F ZINC000743443170 1021291740 /nfs/dbraw/zinc/29/17/40/1021291740.db2.gz UFBBQOBYDVPZMW-UHFFFAOYSA-N 0 1 312.323 3.656 20 30 DHEDMN C[C@H](C#N)Oc1ccc(C=NNc2cccc(F)c2F)cc1 ZINC000743442626 1021292833 /nfs/dbraw/zinc/29/28/33/1021292833.db2.gz BQEFDEVASLWNAP-LLVKDONJSA-N 0 1 301.296 3.702 20 30 DHEDMN Fc1c(Cl)cccc1NN=Cc1cc(-c2cccnc2)[nH]n1 ZINC000743435724 1021295841 /nfs/dbraw/zinc/29/58/41/1021295841.db2.gz LEQBFVJZGRYEMQ-UHFFFAOYSA-N 0 1 315.739 3.710 20 30 DHEDMN Cc1cc(C=NNc2ccc(F)cn2)c(OC(F)F)cc1C ZINC000743442196 1021298853 /nfs/dbraw/zinc/29/88/53/1021298853.db2.gz SNLHEFJMAWRMMK-UHFFFAOYSA-N 0 1 309.291 3.885 20 30 DHEDMN C#CCN(C(=O)c1cc(-c2cccs2)[nH]n1)C1CCCCC1 ZINC000744001503 1021402666 /nfs/dbraw/zinc/40/26/66/1021402666.db2.gz QFSTXLDDJVSIAR-UHFFFAOYSA-N 0 1 313.426 3.546 20 30 DHEDMN CCCCCCNC(=O)C(C#N)C(=O)C1CCCCCCC1 ZINC000744021683 1021403927 /nfs/dbraw/zinc/40/39/27/1021403927.db2.gz CENHFTMFWDOQBU-MRXNPFEDSA-N 0 1 306.450 3.752 20 30 DHEDMN C=CCN(Cc1ccc(OC)cc1)C[C@@H]1CC1(Cl)Cl ZINC000917973106 1021411471 /nfs/dbraw/zinc/41/14/71/1021411471.db2.gz KZNSOCZHBJZMHE-ZDUSSCGKSA-N 0 1 300.229 3.877 20 30 DHEDMN C[C@@H]1CCN(Cc2ccc(C#N)c(Br)c2)[C@H](C)C1 ZINC001236864904 1021416172 /nfs/dbraw/zinc/41/61/72/1021416172.db2.gz XQHYCTSDDYUNOG-VXGBXAGGSA-N 0 1 307.235 3.941 20 30 DHEDMN C#CCOc1ccccc1CNCc1ccc(C2(C#N)CC2)cc1 ZINC000850136841 1021424866 /nfs/dbraw/zinc/42/48/66/1021424866.db2.gz FWAPZCHJSMXIQG-UHFFFAOYSA-N 0 1 316.404 3.544 20 30 DHEDMN C[C@H](CCC#N)CN1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000589820845 1021496931 /nfs/dbraw/zinc/49/69/31/1021496931.db2.gz BXTDLTLRWRBBJR-HIFRSBDPSA-N 0 1 302.422 3.804 20 30 DHEDMN COc1ccc(C[C@H](C)CN2CCC[C@](C)(C#N)C2)cc1F ZINC000613620659 1021577245 /nfs/dbraw/zinc/57/72/45/1021577245.db2.gz HILOWRFUOAIGLH-KBXCAEBGSA-N 0 1 304.409 3.639 20 30 DHEDMN N#CC(C(=O)Nc1ccccc1)C(=O)C1CCC(C2CC2)CC1 ZINC000850760217 1021641176 /nfs/dbraw/zinc/64/11/76/1021641176.db2.gz QKKMNGLURVCUSW-DQPZFDDXSA-N 0 1 310.397 3.550 20 30 DHEDMN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCCC3(CC3)C2)cc1 ZINC000850758914 1021641991 /nfs/dbraw/zinc/64/19/91/1021641991.db2.gz FMPXOFGKBMVVFX-RDJZCZTQSA-N 0 1 324.424 3.867 20 30 DHEDMN CC1(C)CC[C@@H]1C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000850759396 1021642099 /nfs/dbraw/zinc/64/20/99/1021642099.db2.gz IHDUEBNWSQWPKT-JKSUJKDBSA-N 0 1 320.392 3.923 20 30 DHEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2CCCC3(CC3)C2)c1 ZINC000850757026 1021642122 /nfs/dbraw/zinc/64/21/22/1021642122.db2.gz GGATYSIESOGGFV-GDBMZVCRSA-N 0 1 310.397 3.613 20 30 DHEDMN N#CC(C(=O)Nc1ccccc1)C(=O)C1CCC(C2CC2)CC1 ZINC000850760218 1021642356 /nfs/dbraw/zinc/64/23/56/1021642356.db2.gz QKKMNGLURVCUSW-VMBOVVBDSA-N 0 1 310.397 3.550 20 30 DHEDMN N#CC(C(=O)C1CC2(CC2)C1)c1nc2ccccc2n1C(F)F ZINC000850769255 1021643596 /nfs/dbraw/zinc/64/35/96/1021643596.db2.gz LRVKQIONQTUUOT-LLVKDONJSA-N 0 1 315.323 3.798 20 30 DHEDMN N#CC(C(=O)[C@H]1C[C@H]2C[C@H]2C1)c1nc2ccccc2n1C(F)F ZINC000850770002 1021645337 /nfs/dbraw/zinc/64/53/37/1021645337.db2.gz VCYOPVCLWRZGRM-QCNOEVLYSA-N 0 1 315.323 3.654 20 30 DHEDMN COc1ccc(OC)c([C@@H](C)NCC#Cc2ccc(F)cc2)c1 ZINC000181957780 1021646092 /nfs/dbraw/zinc/64/60/92/1021646092.db2.gz ULZTZVXKDKDEKO-CQSZACIVSA-N 0 1 313.372 3.545 20 30 DHEDMN N#Cc1ccc(CNCc2ccccc2Br)cc1 ZINC000037505898 1021689257 /nfs/dbraw/zinc/68/92/57/1021689257.db2.gz NRGFDHIFSCIRKM-UHFFFAOYSA-N 0 1 301.187 3.611 20 30 DHEDMN C[C@H](CC(C)(C)C#N)NCc1cccnc1OC1CCCC1 ZINC000924656529 1033002746 /nfs/dbraw/zinc/00/27/46/1033002746.db2.gz SEEHZIOHKLRFIT-CQSZACIVSA-N 0 1 301.434 3.821 20 30 DHEDMN CC(=O)C=C(C)Nc1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001155890437 1021801038 /nfs/dbraw/zinc/80/10/38/1021801038.db2.gz QVHDLLMZPASUBN-FPLPWBNLSA-N 0 1 305.721 3.701 20 30 DHEDMN N#Cc1ccc(CNCc2cc(-c3ccccc3)n[nH]2)cc1Cl ZINC000619748669 1021880954 /nfs/dbraw/zinc/88/09/54/1021880954.db2.gz QFZWDMDXHRKORE-UHFFFAOYSA-N 0 1 322.799 3.892 20 30 DHEDMN CC(C)(C)c1n[nH]cc1CNCc1ccc(C#N)c(Cl)c1 ZINC000619748474 1021885022 /nfs/dbraw/zinc/88/50/22/1021885022.db2.gz MEHCXKPPIQSFGV-UHFFFAOYSA-N 0 1 302.809 3.522 20 30 DHEDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OCc1cccc(C#N)c1 ZINC000728726620 1021983599 /nfs/dbraw/zinc/98/35/99/1021983599.db2.gz ZJNZYIGYPMKPKC-UHFFFAOYSA-N 0 1 317.348 3.614 20 30 DHEDMN N#Cc1ccccc1CN1CCC(OCCc2ccccc2)CC1 ZINC000195212414 1022000885 /nfs/dbraw/zinc/00/08/85/1022000885.db2.gz BQUXISGQBMXPHA-UHFFFAOYSA-N 0 1 320.436 3.782 20 30 DHEDMN N#CC(C(=O)Cc1cc2ccccc2o1)c1nc2ccccc2[nH]1 ZINC000920103241 1022045146 /nfs/dbraw/zinc/04/51/46/1022045146.db2.gz ROMJNGPZWLECPH-AWEZNQCLSA-N 0 1 315.332 3.728 20 30 DHEDMN N#Cc1cccc(C2(NCc3cc4ccccc4[nH]c3=O)CC2)c1 ZINC000341218339 1022051470 /nfs/dbraw/zinc/05/14/70/1022051470.db2.gz XILIBASFASEAGJ-UHFFFAOYSA-N 0 1 315.376 3.591 20 30 DHEDMN CC(=NNc1cccc(F)c1F)c1ccc([S@@](C)=O)cc1 ZINC000746372525 1022052477 /nfs/dbraw/zinc/05/24/77/1022052477.db2.gz QLQFHKQERIRKGG-OAQYLSRUSA-N 0 1 308.353 3.538 20 30 DHEDMN C[C@H](C1CC1)[N@@H+](Cc1ncc(-c2ccc(C#N)cc2)o1)C1CC1 ZINC000159079623 1022101436 /nfs/dbraw/zinc/10/14/36/1022101436.db2.gz RQQVTTFUPOOOJI-CYBMUJFWSA-N 0 1 307.397 3.976 20 30 DHEDMN C(=NNc1nc2ccccc2[nH]1)c1ccccc1OCC1CC1 ZINC000920362132 1022108112 /nfs/dbraw/zinc/10/81/12/1022108112.db2.gz NGJQUKBNIOFYJF-UHFFFAOYSA-N 0 1 306.369 3.798 20 30 DHEDMN c1ccc2[nH]c(N=NCc3ccccc3OCC3CC3)nc2c1 ZINC000920362132 1022108115 /nfs/dbraw/zinc/10/81/15/1022108115.db2.gz NGJQUKBNIOFYJF-UHFFFAOYSA-N 0 1 306.369 3.798 20 30 DHEDMN C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183368582 1022124988 /nfs/dbraw/zinc/12/49/88/1022124988.db2.gz UCDHSGIGLSSGLA-KUHUBIRLSA-N 0 1 310.372 3.912 20 30 DHEDMN N#CCOc1ccc(Cl)cc1CN1CCC[C@@H](CCF)C1 ZINC000852532946 1022135544 /nfs/dbraw/zinc/13/55/44/1022135544.db2.gz MPHSXIGEKFVBNW-ZDUSSCGKSA-N 0 1 310.800 3.814 20 30 DHEDMN C[C@@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1CCCC(C)(C)C#N ZINC000776604952 1022144019 /nfs/dbraw/zinc/14/40/19/1022144019.db2.gz YMVQIUNQOPZSBO-HUUCEWRRSA-N 0 1 323.481 3.646 20 30 DHEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)ccc1OCC#N ZINC000852685114 1022158105 /nfs/dbraw/zinc/15/81/05/1022158105.db2.gz BICWJHUFEGWLQM-IYBDPMFKSA-N 0 1 302.805 3.925 20 30 DHEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)c1cccc(Br)c1 ZINC000852686371 1022160020 /nfs/dbraw/zinc/16/00/20/1022160020.db2.gz SJNBJDSNLPVADT-XHSDSOJGSA-N 0 1 322.246 3.666 20 30 DHEDMN C=C1C[C@H]2CC[C@@H](C1)N2C[C@H](O)c1cccc(Br)c1 ZINC000852686371 1022160025 /nfs/dbraw/zinc/16/00/25/1022160025.db2.gz SJNBJDSNLPVADT-XHSDSOJGSA-N 0 1 322.246 3.666 20 30 DHEDMN C#CCN(Cc1sc(C)nc1C(F)(F)F)C1CCCC1 ZINC000183605813 1022209163 /nfs/dbraw/zinc/20/91/63/1022209163.db2.gz MFIICPOLAKUXDC-UHFFFAOYSA-N 0 1 302.365 3.848 20 30 DHEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1C(=O)C(C)(C)[C@@H]1c1ccccc1 ZINC000853597786 1022295475 /nfs/dbraw/zinc/29/54/75/1022295475.db2.gz FMBIQHHEXOJOIF-KSZLIROESA-N 0 1 310.441 3.737 20 30 DHEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1C(=O)C(C)(C)[C@H]1c1ccccc1 ZINC000853597784 1022297581 /nfs/dbraw/zinc/29/75/81/1022297581.db2.gz FMBIQHHEXOJOIF-FGTMMUONSA-N 0 1 310.441 3.737 20 30 DHEDMN C[C@@H](c1ccncc1)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000609537071 1022298413 /nfs/dbraw/zinc/29/84/13/1022298413.db2.gz UFTAPGCPNWTPIZ-HNNXBMFYSA-N 0 1 307.397 3.558 20 30 DHEDMN Cc1ccc(N(CCC#N)C(=O)c2ccc(Cl)cc2O)cc1 ZINC000179484258 1022451865 /nfs/dbraw/zinc/45/18/65/1022451865.db2.gz MPHDETDXPHNIIQ-UHFFFAOYSA-N 0 1 314.772 3.915 20 30 DHEDMN Cc1ncc2c(n1)CCC[C@H]2N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000776741941 1022473651 /nfs/dbraw/zinc/47/36/51/1022473651.db2.gz YGHUEBGPJLYTEB-PIGZYNQJSA-N 0 1 310.376 3.524 20 30 DHEDMN COc1ccc([C@@H](NCc2cc(C#N)ccc2OC)C2CC2)cc1 ZINC000179686217 1022509832 /nfs/dbraw/zinc/50/98/32/1022509832.db2.gz YPJXRABWMNXYFJ-FQEVSTJZSA-N 0 1 322.408 3.816 20 30 DHEDMN CC[N@@H+](Cc1cccc2nccn21)[C@@H](C)c1ccc(C#N)cc1 ZINC000179722546 1022513494 /nfs/dbraw/zinc/51/34/94/1022513494.db2.gz VWEIKCZADZCTNE-HNNXBMFYSA-N 0 1 304.397 3.789 20 30 DHEDMN C[NH+](C)CCC(C)(C)Nc1cc(/C=N/[O-])cc(C(F)(F)F)c1 ZINC001169718374 1022516986 /nfs/dbraw/zinc/51/69/86/1022516986.db2.gz LXFNWWHZYNUFAP-VXLYETTFSA-N 0 1 317.355 3.656 20 30 DHEDMN Cc1cc(O)c(CN2CCC[C@H](CC#N)C2)cc1Br ZINC001237679647 1022535244 /nfs/dbraw/zinc/53/52/44/1022535244.db2.gz SZWIVKFUDHIWFD-GFCCVEGCSA-N 0 1 323.234 3.589 20 30 DHEDMN C=CC(C)(C)C(=O)N(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000615820431 1022573641 /nfs/dbraw/zinc/57/36/41/1022573641.db2.gz ZYAAMMMRNZPKDV-JTQLQIEISA-N 0 1 305.809 3.948 20 30 DHEDMN C[C@@H](CC(=O)Nc1cc(C#N)ccc1O)c1ccc(F)cc1F ZINC000162355471 1022625130 /nfs/dbraw/zinc/62/51/30/1022625130.db2.gz RHUXYNIGKHXTPQ-JTQLQIEISA-N 0 1 316.307 3.674 20 30 DHEDMN C[C@@H](c1ccc(C#N)cc1)N1CCN(c2ccccc2F)C[C@@H]1C ZINC000616133125 1022642985 /nfs/dbraw/zinc/64/29/85/1022642985.db2.gz YWTJDIDEHWIDIS-HOTGVXAUSA-N 0 1 323.415 3.969 20 30 DHEDMN C[C@H](NCc1ccc(OCC#N)cc1)c1cc(F)c(F)c(F)c1 ZINC000180557443 1022764152 /nfs/dbraw/zinc/76/41/52/1022764152.db2.gz VDMZRVOEYLWKMW-NSHDSACASA-N 0 1 320.314 3.857 20 30 DHEDMN C=C(C)CN(CC)CC(=O)N[C@H](CC)c1ccc(Cl)cc1 ZINC000621515107 1022785256 /nfs/dbraw/zinc/78/52/56/1022785256.db2.gz AMQZABUHUUGWMM-MRXNPFEDSA-N 0 1 308.853 3.805 20 30 DHEDMN Fc1cc(F)c(CN=Nc2ncccc2C(F)(F)F)cc1F ZINC000767775570 1022805200 /nfs/dbraw/zinc/80/52/00/1022805200.db2.gz NMYYEELETYLSOZ-UHFFFAOYSA-N 0 1 319.208 3.964 20 30 DHEDMN CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2ccoc2)ccc1OC ZINC000180814734 1022842401 /nfs/dbraw/zinc/84/24/01/1022842401.db2.gz RIPTYRSZQIYDOH-CJNGLKHVSA-N 0 1 314.385 3.820 20 30 DHEDMN 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ZINC000353880809 1025278674 /nfs/dbraw/zinc/27/86/74/1025278674.db2.gz ZYTTZORTYWBTOF-LLVKDONJSA-N 0 1 318.373 3.904 20 30 DHEDMN COc1ccc(C(=O)C(C#N)c2nc(C(C)C)cs2)cc1F ZINC000353880809 1025278687 /nfs/dbraw/zinc/27/86/87/1025278687.db2.gz ZYTTZORTYWBTOF-LLVKDONJSA-N 0 1 318.373 3.904 20 30 DHEDMN N#CC(C(=O)c1csc(-c2cccs2)n1)c1ccccn1 ZINC000041492889 1025404825 /nfs/dbraw/zinc/40/48/25/1025404825.db2.gz XJBHPOQZLUPXEE-JTQLQIEISA-N 0 1 311.391 3.757 20 30 DHEDMN N#C[C@H](C(=O)c1csc(-c2cccs2)n1)c1ccccn1 ZINC000041492889 1025404830 /nfs/dbraw/zinc/40/48/30/1025404830.db2.gz XJBHPOQZLUPXEE-JTQLQIEISA-N 0 1 311.391 3.757 20 30 DHEDMN N#C[C@H](C(=O)c1cc(-c2ccccc2Cl)[nH]n1)c1ccccn1 ZINC000041480715 1025404993 /nfs/dbraw/zinc/40/49/93/1025404993.db2.gz SNFJEGALNBRKER-LBPRGKRZSA-N 0 1 322.755 3.615 20 30 DHEDMN N#CC(C(=O)c1cc(-c2ccccc2Cl)[nH]n1)c1ccccn1 ZINC000041480715 1025404997 /nfs/dbraw/zinc/40/49/97/1025404997.db2.gz SNFJEGALNBRKER-LBPRGKRZSA-N 0 1 322.755 3.615 20 30 DHEDMN N#CC1(C[C@@H](O)CN(Cc2ccco2)Cc2ccccc2)CCC1 ZINC000885946072 1025414453 /nfs/dbraw/zinc/41/44/53/1025414453.db2.gz DIRVTAWHDQESBD-GOSISDBHSA-N 0 1 324.424 3.727 20 30 DHEDMN CC(C)Cn1cc(C(=O)C(C#N)c2ccncn2)c2ccccc21 ZINC000354460738 1025435920 /nfs/dbraw/zinc/43/59/20/1025435920.db2.gz FXWLRWAZOIOJID-OAHLLOKOSA-N 0 1 318.380 3.577 20 30 DHEDMN Cc1[nH]nc2cc(NC(=O)c3cc(C#N)ccc3Cl)ccc12 ZINC000354556837 1025454383 /nfs/dbraw/zinc/45/43/83/1025454383.db2.gz DCGCQDQBBPLOSD-UHFFFAOYSA-N 0 1 310.744 3.649 20 30 DHEDMN N#CCOc1ccc(CN2CCSC[C@H]2c2ccccc2)cc1 ZINC000265180452 1033283781 /nfs/dbraw/zinc/28/37/81/1033283781.db2.gz DQFZOFVYXTURFX-IBGZPJMESA-N 0 1 324.449 3.879 20 30 DHEDMN COc1ccc([C@H](C)NCC2(CC#N)CC2)c(Br)c1 ZINC000348362696 1025497507 /nfs/dbraw/zinc/49/75/07/1025497507.db2.gz YSWZKEWPUHEILM-NSHDSACASA-N 0 1 323.234 3.802 20 30 DHEDMN C#CCCCCCCN1CCN(CC(F)(F)F)CC1(C)C ZINC000877351523 1033289195 /nfs/dbraw/zinc/28/91/95/1033289195.db2.gz MGIVSMXFAVSUFA-UHFFFAOYSA-N 0 1 304.400 3.529 20 30 DHEDMN N#Cc1ccc([C@@H](O)CN2CC=C(c3ccccc3F)CC2)cc1 ZINC000127748856 1025552568 /nfs/dbraw/zinc/55/25/68/1025552568.db2.gz JHCHOTZECBRXLW-FQEVSTJZSA-N 0 1 322.383 3.520 20 30 DHEDMN CC[C@@H]1CC(N(C)CCC#N)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170477443 1025557294 /nfs/dbraw/zinc/55/72/94/1025557294.db2.gz KGCGOHOXIJAAHG-HUUCEWRRSA-N 0 1 323.481 3.789 20 30 DHEDMN CC(C)(C)CCCCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000805854167 1025690437 /nfs/dbraw/zinc/69/04/37/1025690437.db2.gz RIYWFKJEMRNTRC-OAHLLOKOSA-N 0 1 306.450 3.751 20 30 DHEDMN C=CCN(CCc1ccccc1)Cn1nccc1-c1ccncc1 ZINC000067094631 1025734532 /nfs/dbraw/zinc/73/45/32/1025734532.db2.gz BEGMPHHXQSNCPX-UHFFFAOYSA-N 0 1 318.424 3.633 20 30 DHEDMN COc1cc([C@@H](C)NCc2ccc(SC)c(C#N)c2)ccn1 ZINC000886689842 1025790186 /nfs/dbraw/zinc/79/01/86/1025790186.db2.gz IUZGDCNVGLBDJR-GFCCVEGCSA-N 0 1 313.426 3.535 20 30 DHEDMN CC(C)C[C@H]1COCCN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614167421 1025790408 /nfs/dbraw/zinc/79/04/08/1025790408.db2.gz MCGQIAUVHLGZBF-SFHVURJKSA-N 0 1 300.446 3.735 20 30 DHEDMN COCC[C@H](NCc1ccc(C(C)(C)C#N)cc1)c1ccco1 ZINC000614185061 1025827279 /nfs/dbraw/zinc/82/72/79/1025827279.db2.gz KELCBWWQFIXFRF-KRWDZBQOSA-N 0 1 312.413 3.948 20 30 DHEDMN N#Cc1cc(CN2CCC(c3ccc(Cl)cc3)CC2)ccn1 ZINC000614221621 1025955170 /nfs/dbraw/zinc/95/51/70/1025955170.db2.gz QKPHPRYQVBCSSV-UHFFFAOYSA-N 0 1 311.816 3.986 20 30 DHEDMN Cc1ccc2c(c1C)OC[C@@H]2NCc1ccc(O[C@H](C)C#N)cc1 ZINC000729685548 1026023641 /nfs/dbraw/zinc/02/36/41/1026023641.db2.gz HBTLEURBDWAABR-KUHUBIRLSA-N 0 1 322.408 3.818 20 30 DHEDMN N#C[C@@H]1CC[C@H](NCc2nc(-c3ccccc3F)cs2)C1 ZINC000356406492 1026043388 /nfs/dbraw/zinc/04/33/88/1026043388.db2.gz MQCACSPRNJOSLM-NEPJUHHUSA-N 0 1 301.390 3.731 20 30 DHEDMN C[C@@H]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)CCS1 ZINC000356434116 1026048300 /nfs/dbraw/zinc/04/83/00/1026048300.db2.gz WCRFEIFKQPCMRJ-LLVKDONJSA-N 0 1 314.376 3.904 20 30 DHEDMN CC(C)c1nc([C@@H]2CCCCN2Cc2ccc(C#N)cc2)n[nH]1 ZINC000289602478 1026094965 /nfs/dbraw/zinc/09/49/65/1026094965.db2.gz DOYUEYNXHPAJMM-INIZCTEOSA-N 0 1 309.417 3.527 20 30 DHEDMN C=CCCCCCN(C)[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000532967764 1026153695 /nfs/dbraw/zinc/15/36/95/1026153695.db2.gz HRAPZUMCSXAPKX-ZDUSSCGKSA-N 0 1 310.388 3.970 20 30 DHEDMN Cc1cc([N+](=O)[O-])ccc1N=NC(C)c1ccc2c(c1)CCO2 ZINC000807990539 1026166364 /nfs/dbraw/zinc/16/63/64/1026166364.db2.gz HRZMFKXJZHDHDQ-UHFFFAOYSA-N 0 1 311.341 3.674 20 30 DHEDMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1ccc2ccccc2c1 ZINC000047343366 1026180257 /nfs/dbraw/zinc/18/02/57/1026180257.db2.gz SGARNJNJWUNHFB-UHFFFAOYSA-N 0 1 315.336 3.656 20 30 DHEDMN Cc1ccnc(NCc2cc(Cl)cc(Cl)c2O)c1C#N ZINC000808088704 1026201385 /nfs/dbraw/zinc/20/13/85/1026201385.db2.gz ALMVIOSRFGBUPT-UHFFFAOYSA-N 0 1 308.168 3.886 20 30 DHEDMN Cc1ccc(NCc2cc(Cl)cc(Cl)c2O)nc1C#N ZINC000808087265 1026202660 /nfs/dbraw/zinc/20/26/60/1026202660.db2.gz QMLSFBLMGMUCSA-UHFFFAOYSA-N 0 1 308.168 3.886 20 30 DHEDMN Cc1nn(C(C)(C)C)cc1[C@H](C)NCc1ccc(C#N)cc1C ZINC000614406151 1026300313 /nfs/dbraw/zinc/30/03/13/1026300313.db2.gz SDVHOXCDSZGQQE-AWEZNQCLSA-N 0 1 310.445 3.977 20 30 DHEDMN N#Cc1ccc(CN(Cc2cccc(O)c2)CC2CC2)c(F)c1 ZINC000120624594 1026340892 /nfs/dbraw/zinc/34/08/92/1026340892.db2.gz LAGHFUGWXDYTRX-UHFFFAOYSA-N 0 1 310.372 3.815 20 30 DHEDMN CC[N@H+](CC(=O)N(CCC#N)c1ccc(C)c(C)c1)CC(C)C ZINC000747523940 1026355723 /nfs/dbraw/zinc/35/57/23/1026355723.db2.gz BMJCYZAZCCUQMB-UHFFFAOYSA-N 0 1 315.461 3.528 20 30 DHEDMN CC(C)CCO[C@H](C)C(=O)C(C#N)c1nc2ccccc2s1 ZINC000729068119 1026362043 /nfs/dbraw/zinc/36/20/43/1026362043.db2.gz VDZZFYJCFRTWPQ-OLZOCXBDSA-N 0 1 316.426 3.924 20 30 DHEDMN N#C[C@@H](c1ccccc1)N1CCN([C@H]2CCc3ccccc32)CC1 ZINC000614461670 1026437693 /nfs/dbraw/zinc/43/76/93/1026437693.db2.gz CGJVNNAPTQPJEP-SFTDATJTSA-N 0 1 317.436 3.556 20 30 DHEDMN C[C@H]1C[C@H](c2ccccc2)N(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000513270685 1026468127 /nfs/dbraw/zinc/46/81/27/1026468127.db2.gz GLLLZJWTJRFKKV-HNAYVOBHSA-N 0 1 319.408 3.580 20 30 DHEDMN N#CCc1ccc(C[N@@H+]2CCCN(c3ccccc3F)CC2)cc1 ZINC000513398553 1026495658 /nfs/dbraw/zinc/49/56/58/1026495658.db2.gz UYCUKMFSRFHARU-UHFFFAOYSA-N 0 1 323.415 3.604 20 30 DHEDMN C#CCN1CCC(c2nc(-c3ccc4ccccc4c3)no2)CC1 ZINC000809534903 1026546386 /nfs/dbraw/zinc/54/63/86/1026546386.db2.gz ROEIONGOBVLRJI-UHFFFAOYSA-N 0 1 317.392 3.702 20 30 DHEDMN C#Cc1ccc(CN[C@@H]2CCOc3ccc(OCC)cc32)cc1 ZINC000809643610 1026581079 /nfs/dbraw/zinc/58/10/79/1026581079.db2.gz VLRSTZXXUUVQJM-LJQANCHMSA-N 0 1 307.393 3.680 20 30 DHEDMN C#Cc1ccc(CNC(C)(C)c2nc3ccccc3n2C)cc1 ZINC000809644542 1026581222 /nfs/dbraw/zinc/58/12/22/1026581222.db2.gz RUMLLACIGSRQLV-UHFFFAOYSA-N 0 1 303.409 3.580 20 30 DHEDMN C#C[C@H](N[C@@H](C)CC1CCOCC1)c1ccc(Cl)cc1F ZINC000809699044 1026586705 /nfs/dbraw/zinc/58/67/05/1026586705.db2.gz KCMCCPQINQQRJN-SJCJKPOMSA-N 0 1 309.812 3.948 20 30 DHEDMN C#C[C@H](C)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000809684213 1026591743 /nfs/dbraw/zinc/59/17/43/1026591743.db2.gz SBIDXUDJDQVXEC-LBPRGKRZSA-N 0 1 314.316 3.638 20 30 DHEDMN C#C[C@@H](NCc1ccccc1OCc1ccccn1)C(C)(C)C ZINC000809781989 1026623618 /nfs/dbraw/zinc/62/36/18/1026623618.db2.gz GEPNUDDTDZIBQU-LJQANCHMSA-N 0 1 308.425 3.798 20 30 DHEDMN C#C[C@H](NCc1cc2cnn(C(C)C)c2nc1Cl)C(C)(C)C ZINC000809781948 1026624172 /nfs/dbraw/zinc/62/41/72/1026624172.db2.gz DRIKOLOCWOMOKM-AWEZNQCLSA-N 0 1 318.852 3.803 20 30 DHEDMN COc1ccc(C=NNc2ccccn2)cc1OCCC(C)C ZINC000747606902 1026770083 /nfs/dbraw/zinc/77/00/83/1026770083.db2.gz CYUJLQOLEBTSLW-UHFFFAOYSA-N 0 1 313.401 3.961 20 30 DHEDMN C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1cc(C#N)cs1 ZINC000421371047 1026967986 /nfs/dbraw/zinc/96/79/86/1026967986.db2.gz ZXFHBPHPMQRULK-JSGCOSHPSA-N 0 1 320.458 3.562 20 30 DHEDMN C[C@H]1CC[C@H](C(=O)OC(C)(C)C)CN1Cc1cc(C#N)cs1 ZINC000421371047 1026967990 /nfs/dbraw/zinc/96/79/90/1026967990.db2.gz ZXFHBPHPMQRULK-JSGCOSHPSA-N 0 1 320.458 3.562 20 30 DHEDMN C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000421370963 1026968638 /nfs/dbraw/zinc/96/86/38/1026968638.db2.gz ZRRIKXBAGUFMIK-IUODEOHRSA-N 0 1 320.458 3.562 20 30 DHEDMN C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCCN1Cc1ccc(C#N)s1 ZINC000421370963 1026968647 /nfs/dbraw/zinc/96/86/47/1026968647.db2.gz ZRRIKXBAGUFMIK-IUODEOHRSA-N 0 1 320.458 3.562 20 30 DHEDMN Cc1cn[nH]c1CNc1ccc(OCc2cccc(C#N)c2)cc1 ZINC000811487909 1027010169 /nfs/dbraw/zinc/01/01/69/1027010169.db2.gz AMAMLFCAVWWSKM-UHFFFAOYSA-N 0 1 318.380 3.781 20 30 DHEDMN N#Cc1ccc2c(c1)C(=NNc1nc3ccccc3s1)CC2 ZINC000811628708 1027040834 /nfs/dbraw/zinc/04/08/34/1027040834.db2.gz JOSVGSDVEPDYQG-UHFFFAOYSA-N 0 1 304.378 3.930 20 30 DHEDMN COc1ccc(C(C)=NNc2cc(F)c(F)cc2F)cc1O ZINC000811643632 1027047252 /nfs/dbraw/zinc/04/72/52/1027047252.db2.gz IKRNZDQWTCAEKK-UHFFFAOYSA-N 0 1 310.275 3.654 20 30 DHEDMN CC[NH+](CC)Cc1cc(C(C)=NOC/C=C/Cl)ccc1[O-] ZINC000811669554 1027058038 /nfs/dbraw/zinc/05/80/38/1027058038.db2.gz GHFSNTMYEDTYIV-CGYDAQLOSA-N 0 1 310.825 3.727 20 30 DHEDMN CCS[C@@H]1CC[C@H](N(C)Cc2cn3ccccc3c2C#N)C1 ZINC000362385319 1027175354 /nfs/dbraw/zinc/17/53/54/1027175354.db2.gz XABOCWNTNHNYRG-JKSUJKDBSA-N 0 1 313.470 3.917 20 30 DHEDMN C=C(C)CN(CC)C(=O)CN1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 ZINC000362433577 1027205044 /nfs/dbraw/zinc/20/50/44/1027205044.db2.gz FTMBJPBLTFKWDR-NVXWUHKLSA-N 0 1 318.461 3.786 20 30 DHEDMN C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc(C2CCCC2)cc1 ZINC000812228015 1027208410 /nfs/dbraw/zinc/20/84/10/1027208410.db2.gz YQDPINOSCLHBEQ-QZTJIDSGSA-N 0 1 310.445 3.538 20 30 DHEDMN CCSCC[C@@H](C)N(C)Cc1cn2ccccc2c1C#N ZINC000362456760 1027220454 /nfs/dbraw/zinc/22/04/54/1027220454.db2.gz XEXXCOIHYIEYKZ-CQSZACIVSA-N 0 1 301.459 3.774 20 30 DHEDMN C=CCC1(NC(=O)NCc2nc3ccc(C)cc3[nH]2)CCCC1 ZINC000664281311 1027226320 /nfs/dbraw/zinc/22/63/20/1027226320.db2.gz CISXAFZYIHCVDQ-UHFFFAOYSA-N 0 1 312.417 3.559 20 30 DHEDMN CC(C)(C#N)CCCN1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000931793638 1027258987 /nfs/dbraw/zinc/25/89/87/1027258987.db2.gz GLDAUPQVGJBUNL-SFHVURJKSA-N 0 1 308.429 3.687 20 30 DHEDMN Cc1oc2ccccc2c1CNCc1cnc2ccc(C#N)cn12 ZINC000183918237 1027275893 /nfs/dbraw/zinc/27/58/93/1027275893.db2.gz OXGQTPPNZFBSQL-UHFFFAOYSA-N 0 1 316.364 3.550 20 30 DHEDMN Cc1cc(C#N)ccc1C(=O)Nc1nc2ccc(Cl)cc2[nH]1 ZINC001133402379 1027365084 /nfs/dbraw/zinc/36/50/84/1027365084.db2.gz DJSURUKLLUVHGK-UHFFFAOYSA-N 0 1 310.744 3.649 20 30 DHEDMN C#C[C@@H](N[C@@H](C)CC(=O)Nc1cccc(C)c1)c1ccc(F)cc1 ZINC000812792692 1027411553 /nfs/dbraw/zinc/41/15/53/1027411553.db2.gz DYDRGFJMEJOENZ-HNAYVOBHSA-N 0 1 324.399 3.815 20 30 DHEDMN Cn1nccc1[C@@H]1CCCN1Cc1ccccc1C(C)(C)C#N ZINC000932268451 1027433578 /nfs/dbraw/zinc/43/35/78/1027433578.db2.gz CQDAQSWONRJRFG-SFHVURJKSA-N 0 1 308.429 3.558 20 30 DHEDMN C=CCOc1ccc(CN[C@@H](C)c2n[nH]c([C@@H](C)CC)n2)cc1 ZINC000362911412 1027439272 /nfs/dbraw/zinc/43/92/72/1027439272.db2.gz BTSUCOLJBQQDRZ-KBPBESRZSA-N 0 1 314.433 3.734 20 30 DHEDMN N#CC(C(=O)CCc1ccco1)c1cc(C(F)(F)F)ccn1 ZINC000813212237 1027563484 /nfs/dbraw/zinc/56/34/84/1027563484.db2.gz ZYZBXEWVFGDHMF-GFCCVEGCSA-N 0 1 308.259 3.502 20 30 DHEDMN N#C[C@@H](C(=O)Cc1ccc(F)cc1)c1cc(C(F)(F)F)ccn1 ZINC000813215437 1027566697 /nfs/dbraw/zinc/56/66/97/1027566697.db2.gz YQKDEVVCXFGKQC-CYBMUJFWSA-N 0 1 322.261 3.658 20 30 DHEDMN N#C[C@H](C(=O)[C@H]1Cc2ccccc21)c1cc(C(F)(F)F)ccn1 ZINC000813217434 1027567516 /nfs/dbraw/zinc/56/75/16/1027567516.db2.gz LDUZWZWDHCYDOI-KBPBESRZSA-N 0 1 316.282 3.617 20 30 DHEDMN C=C(C)CN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932939239 1027655535 /nfs/dbraw/zinc/65/55/35/1027655535.db2.gz DVUUQNAIPQZNGB-OCAPTIKFSA-N 0 1 323.227 3.665 20 30 DHEDMN Cc1csc(C[C@@H]2CCN(Cc3cc(C#N)ccc3F)C2)n1 ZINC000933127884 1027683974 /nfs/dbraw/zinc/68/39/74/1027683974.db2.gz MIXJYXKWHRNEAX-AWEZNQCLSA-N 0 1 315.417 3.527 20 30 DHEDMN COc1ccc2c(c1)OCCC[C@H]2NCc1cccc(C#N)c1 ZINC000363864013 1027765709 /nfs/dbraw/zinc/76/57/09/1027765709.db2.gz LJFFTRNTHXDDST-GOSISDBHSA-N 0 1 308.381 3.570 20 30 DHEDMN O=C1C=COC2(CCN([C@@H]3CCc4cc(Cl)ccc43)CC2)C1 ZINC000933648128 1027784298 /nfs/dbraw/zinc/78/42/98/1027784298.db2.gz RLLSFGUGNPWUCZ-QGZVFWFLSA-N 0 1 317.816 3.665 20 30 DHEDMN C#CCOc1cccc(Cl)c1CN1CCC(C)(OCC)CC1 ZINC000814170498 1027925752 /nfs/dbraw/zinc/92/57/52/1027925752.db2.gz XCDRNHLWPGLNJE-UHFFFAOYSA-N 0 1 321.848 3.743 20 30 DHEDMN FC(F)Cn1cc(CN=Nc2c(Cl)cccc2Cl)cn1 ZINC000814223593 1027961465 /nfs/dbraw/zinc/96/14/65/1027961465.db2.gz KGXBSEOJOCNMKG-UHFFFAOYSA-N 0 1 319.142 3.901 20 30 DHEDMN N#Cc1cc(Cl)cc(CN2CC[C@H](Cc3nccs3)C2)c1 ZINC000934330423 1027967500 /nfs/dbraw/zinc/96/75/00/1027967500.db2.gz XLUIORREMKYCBY-GFCCVEGCSA-N 0 1 317.845 3.733 20 30 DHEDMN N#Cc1ccc(CN[C@@H](CCO)c2ccc(Cl)c(F)c2)s1 ZINC000601137029 1027999217 /nfs/dbraw/zinc/99/92/17/1027999217.db2.gz QKVPETRQHCURKM-HNNXBMFYSA-N 0 1 324.808 3.626 20 30 DHEDMN CC[C@H](CC#N)NCCC(=O)Nc1ccccc1-c1ccccc1 ZINC000563368559 1028022072 /nfs/dbraw/zinc/02/20/72/1028022072.db2.gz XLJPWBJHWGHOKT-QGZVFWFLSA-N 0 1 321.424 3.964 20 30 DHEDMN C[C@H](NCc1cccc2c1CCOC2)c1ccc(C#N)cc1F ZINC000601303787 1028069353 /nfs/dbraw/zinc/06/93/53/1028069353.db2.gz IHXHWFAKMAHKOI-ZDUSSCGKSA-N 0 1 310.372 3.621 20 30 DHEDMN CCn1ccnc1[C@@H](C)N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000578294970 1028112913 /nfs/dbraw/zinc/11/29/13/1028112913.db2.gz XPOVIFPPQKCQAL-RDTXWAMCSA-N 0 1 308.429 3.893 20 30 DHEDMN Cc1nn(C)c(Cl)c1CN[C@H](CCCC#N)c1ccccc1 ZINC000814656944 1028139224 /nfs/dbraw/zinc/13/92/24/1028139224.db2.gz BVCQTIOAGCGKKO-MRXNPFEDSA-N 0 1 316.836 3.907 20 30 DHEDMN CC(C)(CNCc1nc(C#N)cs1)c1ccc(F)cc1Cl ZINC000578404416 1028144938 /nfs/dbraw/zinc/14/49/38/1028144938.db2.gz ULXVUIIZEHPJRV-UHFFFAOYSA-N 0 1 323.824 3.875 20 30 DHEDMN Cc1c([C@H]2CCC[N@H+]2CC#Cc2cccc(Cl)c2)cnn1C ZINC000367335123 1028170181 /nfs/dbraw/zinc/17/01/81/1028170181.db2.gz VGZDQXVUVJZAHD-GOSISDBHSA-N 0 1 313.832 3.571 20 30 DHEDMN Cc1c([C@H]2CCCN2CC#Cc2cccc(Cl)c2)cnn1C ZINC000367335123 1028170189 /nfs/dbraw/zinc/17/01/89/1028170189.db2.gz VGZDQXVUVJZAHD-GOSISDBHSA-N 0 1 313.832 3.571 20 30 DHEDMN Oc1cccc(CN=Nc2ccc(C(F)(F)F)cn2)c1Cl ZINC000814711390 1028178543 /nfs/dbraw/zinc/17/85/43/1028178543.db2.gz HZXUEIAKTQXCHL-UHFFFAOYSA-N 0 1 315.682 3.905 20 30 DHEDMN Cc1ccc(F)c(N=NC(C)c2cn(-c3ccccc3)nn2)c1 ZINC000814872192 1028255538 /nfs/dbraw/zinc/25/55/38/1028255538.db2.gz FZTBYLDOSRFGPW-UHFFFAOYSA-N 0 1 309.348 3.551 20 30 DHEDMN N#C[C@@H](c1ccccc1)[C@H]1CCCN1CC[C@H](O)c1ccccc1 ZINC000368011277 1028274662 /nfs/dbraw/zinc/27/46/62/1028274662.db2.gz XCQFYJZSJWGAME-HBMCJLEFSA-N 0 1 320.436 3.882 20 30 DHEDMN CCC(=NN[C@@H]1CCOC(C)(C)C1)c1ccc(Cl)c(N)c1 ZINC000814908843 1028276853 /nfs/dbraw/zinc/27/68/53/1028276853.db2.gz UPNQAOQGDBWIKU-GFCCVEGCSA-N 0 1 309.841 3.584 20 30 DHEDMN C[C@H]1C(=NOCc2cccnc2)CCCN1Cc1ccccc1 ZINC000814884410 1028281284 /nfs/dbraw/zinc/28/12/84/1028281284.db2.gz WZYIPIMQOLDNOX-INIZCTEOSA-N 0 1 309.413 3.639 20 30 DHEDMN C[C@@H]1C(N=Nc2cccc(F)n2)CCCN1Cc1ccccc1 ZINC000814928137 1028287333 /nfs/dbraw/zinc/28/73/33/1028287333.db2.gz YDZZKAFQXLUPAP-CQSZACIVSA-N 0 1 312.392 3.673 20 30 DHEDMN C#CCOc1ccccc1CN=Nc1ccc(F)c(F)c1F ZINC000814944218 1028299151 /nfs/dbraw/zinc/29/91/51/1028299151.db2.gz WNOBESSWPVBUAZ-UHFFFAOYSA-N 0 1 304.271 3.562 20 30 DHEDMN Cn1ncc(CN[C@@H](CCCC#N)c2ccccc2)c1Cl ZINC000815141388 1028400231 /nfs/dbraw/zinc/40/02/31/1028400231.db2.gz CBMIEYUUMGZIDO-HNNXBMFYSA-N 0 1 302.809 3.598 20 30 DHEDMN Cc1cc(Nc2sc3c(c2C#N)CCN(C)C3)cc(C)c1O ZINC001211903973 1028433740 /nfs/dbraw/zinc/43/37/40/1028433740.db2.gz NGWJEMVVZQLLEJ-UHFFFAOYSA-N 0 1 313.426 3.674 20 30 DHEDMN Cc1cc(F)ccc1CN1CCC(C#N)(c2ccccn2)CC1 ZINC000369205576 1028459834 /nfs/dbraw/zinc/45/98/34/1028459834.db2.gz JYXWFDIRIITMNN-UHFFFAOYSA-N 0 1 309.388 3.587 20 30 DHEDMN C=CCC1(C(=O)Nc2nc(-c3ccc(Cl)cc3)n[nH]2)CCC1 ZINC000564833890 1028505984 /nfs/dbraw/zinc/50/59/84/1028505984.db2.gz ODZAURHZZSVYPQ-UHFFFAOYSA-N 0 1 316.792 3.810 20 30 DHEDMN N#Cc1ccc(O)c(NC(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000748005359 1028534444 /nfs/dbraw/zinc/53/44/44/1028534444.db2.gz FCYHPNSANOMWJX-UHFFFAOYSA-N 0 1 307.136 3.823 20 30 DHEDMN C=CCNC(=O)CN[C@H](C)c1ccccc1SC(C)(C)C ZINC000815609817 1028569202 /nfs/dbraw/zinc/56/92/02/1028569202.db2.gz UCVWLCDAPFNEQV-CYBMUJFWSA-N 0 1 306.475 3.530 20 30 DHEDMN C[C@@H](NCc1ccc(C#N)cn1)c1ccc(-c2cccnc2)cc1 ZINC000565413664 1028585834 /nfs/dbraw/zinc/58/58/34/1028585834.db2.gz DDZCBXIIYDKKJG-OAHLLOKOSA-N 0 1 314.392 3.866 20 30 DHEDMN CCOC[C@@H](C)N[C@@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000370663579 1028631069 /nfs/dbraw/zinc/63/10/69/1028631069.db2.gz WOKYFVDGKKGHIR-OLZOCXBDSA-N 0 1 315.442 3.757 20 30 DHEDMN C=CCC(F)(F)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000815878892 1028641799 /nfs/dbraw/zinc/64/17/99/1028641799.db2.gz XYHYSDPFUZTQFO-UHFFFAOYSA-N 0 1 301.243 3.650 20 30 DHEDMN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000815908375 1028646266 /nfs/dbraw/zinc/64/62/66/1028646266.db2.gz ZXKOPXNQSYNVEJ-IKGGRYGDSA-N 0 1 324.424 3.505 20 30 DHEDMN N#CC(C(=O)CSc1ccccc1Cl)c1ccccn1 ZINC000041494067 1028734783 /nfs/dbraw/zinc/73/47/83/1028734783.db2.gz FLMBVVCWYILJCJ-LLVKDONJSA-N 0 1 302.786 3.704 20 30 DHEDMN N#CC(C(=O)CCCC1CCCC1)C(=O)NC1CCCCC1 ZINC000076826987 1028736163 /nfs/dbraw/zinc/73/61/63/1028736163.db2.gz CPHYMIOVPFSMSP-MRXNPFEDSA-N 0 1 304.434 3.505 20 30 DHEDMN N#CC(C(=O)NC1CCCCC1)C(=O)C1CCCCCCC1 ZINC000076826633 1028736869 /nfs/dbraw/zinc/73/68/69/1028736869.db2.gz IDFHFFPPFSLULP-MRXNPFEDSA-N 0 1 304.434 3.505 20 30 DHEDMN C=C[C@@H]1OCCC[C@H]1NCc1nc(-c2ccccc2)cs1 ZINC000449545951 1028761901 /nfs/dbraw/zinc/76/19/01/1028761901.db2.gz AIZFSLZDBGBQGU-ZBFHGGJFSA-N 0 1 300.427 3.633 20 30 DHEDMN N#Cc1ccc(CSc2nc(-c3ccccc3)n[nH]2)c(F)c1 ZINC000011385200 1028768493 /nfs/dbraw/zinc/76/84/93/1028768493.db2.gz BNAUBYUNVSRHGZ-UHFFFAOYSA-N 0 1 310.357 3.775 20 30 DHEDMN C=CCC[C@@H](O)CN(C)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000372019097 1028790272 /nfs/dbraw/zinc/79/02/72/1028790272.db2.gz RETFJANLLAZVKU-RTBURBONSA-N 0 1 314.404 3.569 20 30 DHEDMN C=CCCO[C@@H](C)C(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000372585973 1028873768 /nfs/dbraw/zinc/87/37/68/1028873768.db2.gz SEYKOOAHGNBYGN-HNNXBMFYSA-N 0 1 316.445 3.578 20 30 DHEDMN N#Cc1c(F)ccc(CN2CC[C@H](C3CCOCC3)C2)c1Cl ZINC000372967350 1028927406 /nfs/dbraw/zinc/92/74/06/1028927406.db2.gz MUUZKPRWHZNXME-ZDUSSCGKSA-N 0 1 322.811 3.599 20 30 DHEDMN N#CC1(CN2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000567840623 1028962897 /nfs/dbraw/zinc/96/28/97/1028962897.db2.gz ZQRMHPIGPMTPNH-AWEZNQCLSA-N 0 1 300.793 3.657 20 30 DHEDMN C=CCC1(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)CCCC1 ZINC000449797479 1029017580 /nfs/dbraw/zinc/01/75/80/1029017580.db2.gz YKTMJMUKRFQOIS-QGZVFWFLSA-N 0 1 318.436 3.681 20 30 DHEDMN CC(C)[C@@H](C(=O)O[C@H](C)c1cccc(C#N)c1)N1CCCCC1 ZINC000778633025 1029030776 /nfs/dbraw/zinc/03/07/76/1029030776.db2.gz YLXATSUDLOWYKK-QAPCUYQASA-N 0 1 314.429 3.673 20 30 DHEDMN C[C@@H]1C[C@H](N[C@H]2CCCCc3cc(C#N)ccc32)c2nccn21 ZINC000568834620 1029132207 /nfs/dbraw/zinc/13/22/07/1029132207.db2.gz OPJGAJZCNLJIJS-BVGQSLNGSA-N 0 1 306.413 3.818 20 30 DHEDMN Cc1csc(C(C#N)C(=O)C=Cc2ccnc3ccccc23)n1 ZINC000077940505 1029182074 /nfs/dbraw/zinc/18/20/74/1029182074.db2.gz JKYGHWJXUTYGJK-LFAOLKIESA-N 0 1 319.389 3.889 20 30 DHEDMN N#Cc1ccc(CN2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000411993371 1029274214 /nfs/dbraw/zinc/27/42/14/1029274214.db2.gz ZBGQQVKSYLAHLS-FQEVSTJZSA-N 0 1 318.420 3.912 20 30 DHEDMN CCOc1ccc2nc(SCc3ccc(C#N)cn3)[nH]c2c1 ZINC000570507776 1029374901 /nfs/dbraw/zinc/37/49/01/1029374901.db2.gz XERKWMABKRARMJ-UHFFFAOYSA-N 0 1 310.382 3.521 20 30 DHEDMN Cc1nc2scc(C3CC3)n2c1CNCc1cccc(C#N)c1 ZINC000570778649 1029418520 /nfs/dbraw/zinc/41/85/20/1029418520.db2.gz YLTXARYMRIAYSR-UHFFFAOYSA-N 0 1 322.437 3.743 20 30 DHEDMN C=CCC1(C(=O)N2CCC(c3cc(C)[nH]n3)CC2)CCCC1 ZINC000450379444 1029419090 /nfs/dbraw/zinc/41/90/90/1029419090.db2.gz OBQFAWKZRFSEKI-UHFFFAOYSA-N 0 1 301.434 3.561 20 30 DHEDMN Cc1ccc(C2CCN(Cc3ccc(C#N)cc3F)CC2)cn1 ZINC000374695788 1029437314 /nfs/dbraw/zinc/43/73/14/1029437314.db2.gz HKINZZJXTIBZPX-UHFFFAOYSA-N 0 1 309.388 3.780 20 30 DHEDMN CCCCN(C)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000302919684 1029509624 /nfs/dbraw/zinc/50/96/24/1029509624.db2.gz YPYCZJKWPGZEAI-UHFFFAOYSA-N 0 1 321.852 3.627 20 30 DHEDMN C=C(C)C(C)(C)C(=O)NOCc1ccc(C(F)(F)F)cc1 ZINC000819413984 1029564112 /nfs/dbraw/zinc/56/41/12/1029564112.db2.gz SPALKXUVWYEVBM-UHFFFAOYSA-N 0 1 301.308 3.856 20 30 DHEDMN Cc1ccc(C=Cc2n[nH]c(SCC3(C#N)CCC3)n2)o1 ZINC000450774980 1029660477 /nfs/dbraw/zinc/66/04/77/1029660477.db2.gz AGWIZRZRNWQKFM-AATRIKPKSA-N 0 1 300.387 3.663 20 30 DHEDMN C=C(C)CN(Cc1cnn(C(C)C)c1)CC1CCC(=O)CC1 ZINC000450980542 1029759130 /nfs/dbraw/zinc/75/91/30/1029759130.db2.gz FVDOCGXUKPLHIT-UHFFFAOYSA-N 0 1 303.450 3.601 20 30 DHEDMN CN(C)Cc1cccc(C(=O)/C=C/c2ccccc2[N+](=O)[O-])c1 ZINC000821021315 1029798313 /nfs/dbraw/zinc/79/83/13/1029798313.db2.gz FDHYZNXVIAPQJT-ZHACJKMWSA-N 0 1 310.353 3.553 20 30 DHEDMN C=CCN(CC=C)C(=O)CN(Cc1ccoc1)C1CCCCC1 ZINC000303857948 1029835638 /nfs/dbraw/zinc/83/56/38/1029835638.db2.gz FZSSUSFPUOPPAB-UHFFFAOYSA-N 0 1 316.445 3.615 20 30 DHEDMN N#CCC1(CNCc2cccc(F)c2OC(F)(F)F)CC1 ZINC000865551085 1029913335 /nfs/dbraw/zinc/91/33/35/1029913335.db2.gz UKLYTVBHOZPDRW-UHFFFAOYSA-N 0 1 302.271 3.508 20 30 DHEDMN COc1ccc2c(c1)CN(CCCCC(C)(C)C#N)CCO2 ZINC000451646484 1029947911 /nfs/dbraw/zinc/94/79/11/1029947911.db2.gz IUYBNMXJJJHKOK-UHFFFAOYSA-N 0 1 302.418 3.610 20 30 DHEDMN COC(=O)c1ccc(C(=N)Nc2ccc(C)c(SC)c2)cc1 ZINC001170988725 1030047076 /nfs/dbraw/zinc/04/70/76/1030047076.db2.gz FXKYKNGERXSDIE-UHFFFAOYSA-N 0 1 314.410 3.541 20 30 DHEDMN Fc1ccc(/C=C/C=Nn2cnnc2-c2ccccc2)cc1F ZINC000794887821 1030104680 /nfs/dbraw/zinc/10/46/80/1030104680.db2.gz DTLIUIYEQKUNHE-ZURRAVIGSA-N 0 1 310.307 3.771 20 30 DHEDMN Fc1ccccc1NN=C1c2ccccc2CC12CCOCC2 ZINC000794889464 1030108112 /nfs/dbraw/zinc/10/81/12/1030108112.db2.gz YAQPPEWWVSLKKW-UHFFFAOYSA-N 0 1 310.372 3.995 20 30 DHEDMN COc1cc(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)ccc1F ZINC000357628325 1030133041 /nfs/dbraw/zinc/13/30/41/1030133041.db2.gz CPLFBFTYOQNPFR-LBPRGKRZSA-N 0 1 323.327 3.509 20 30 DHEDMN COc1ccc(CN=Nc2ccc(C)cn2)c(Br)c1 ZINC000794903052 1030163471 /nfs/dbraw/zinc/16/34/71/1030163471.db2.gz YSKPCFHDBJBAQX-UHFFFAOYSA-N 0 1 320.190 3.607 20 30 DHEDMN CCCN(CC)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000533247582 1030220623 /nfs/dbraw/zinc/22/06/23/1030220623.db2.gz BEHNRQCIFKBPHX-CQSZACIVSA-N 0 1 319.474 3.609 20 30 DHEDMN Cc1ccc2nc([C@@H]3CCCN(c4cccnc4C#N)C3)[nH]c2c1 ZINC000290921486 1030250101 /nfs/dbraw/zinc/25/01/01/1030250101.db2.gz IIEGBIIQLIRJMH-CQSZACIVSA-N 0 1 317.396 3.522 20 30 DHEDMN C[C@@H]1CCC[C@H](C)N(CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000533292929 1030252809 /nfs/dbraw/zinc/25/28/09/1030252809.db2.gz IIPWWBITRDNQAD-OLZOCXBDSA-N 0 1 319.836 3.661 20 30 DHEDMN CCc1ccc(NC(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)cc1 ZINC000358040965 1030295762 /nfs/dbraw/zinc/29/57/62/1030295762.db2.gz GBWMAAPBYSRWEZ-OAHLLOKOSA-N 0 1 318.380 3.680 20 30 DHEDMN C=C(Cl)COc1ccc([C@H](C)N[C@H](C)c2ccnn2C)cc1 ZINC000866612924 1030402827 /nfs/dbraw/zinc/40/28/27/1030402827.db2.gz OTQRLXPXCXUNBP-UONOGXRCSA-N 0 1 319.836 3.963 20 30 DHEDMN C=CC[C@@H](CO)CN[C@H](C)c1ncc(C(F)(F)F)cc1Cl ZINC000925696522 1030455217 /nfs/dbraw/zinc/45/52/17/1030455217.db2.gz KKYIUYKJLHVLMU-NXEZZACHSA-N 0 1 322.758 3.589 20 30 DHEDMN Fc1cccc(COc2ccc(C=NNc3cncnc3)cc2)c1 ZINC000794976752 1030468599 /nfs/dbraw/zinc/46/85/99/1030468599.db2.gz PTUMYAQYXNVCOI-UHFFFAOYSA-N 0 1 322.343 3.641 20 30 DHEDMN Clc1ccc(OC2CCCC2)c(CN=Nc2cncnc2)c1 ZINC000794978693 1030476761 /nfs/dbraw/zinc/47/67/61/1030476761.db2.gz QKIVAKJWIVRYSR-UHFFFAOYSA-N 0 1 316.792 3.897 20 30 DHEDMN C[C@H]1CC(N=Nc2ncccc2F)CN(Cc2ccccc2)C1 ZINC000794981661 1030511697 /nfs/dbraw/zinc/51/16/97/1030511697.db2.gz ZJEGDKZGTXXEQM-AWEZNQCLSA-N 0 1 312.392 3.531 20 30 DHEDMN Cc1n[nH]c(C)c1CNCc1ccc(-c2ccccc2C#N)cc1 ZINC000358517091 1030525113 /nfs/dbraw/zinc/52/51/13/1030525113.db2.gz OONZNFCIUANWOO-UHFFFAOYSA-N 0 1 316.408 3.855 20 30 DHEDMN CCCCO[C@@H](C)C(=O)Nc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000068542327 1030539214 /nfs/dbraw/zinc/53/92/14/1030539214.db2.gz BGBRMVUNFYVJRP-LBPRGKRZSA-N 0 1 302.378 3.573 20 30 DHEDMN Fc1cccc(NN=Cc2ccc(F)c(Br)c2)n1 ZINC000795010031 1030568561 /nfs/dbraw/zinc/56/85/61/1030568561.db2.gz UFMALDVFPOWZLS-UHFFFAOYSA-N 0 1 312.117 3.568 20 30 DHEDMN COCc1cc(CN[C@H](C)c2ccc(C#N)cc2F)ccc1F ZINC000358565812 1030540806 /nfs/dbraw/zinc/54/08/06/1030540806.db2.gz HYEVGILRPRVDPE-GFCCVEGCSA-N 0 1 316.351 3.834 20 30 DHEDMN N#CCCC[C@@H](NCc1cc(F)ncc1F)c1ccccc1 ZINC000824435580 1030552453 /nfs/dbraw/zinc/55/24/53/1030552453.db2.gz XBZFVCYQTFHTOM-MRXNPFEDSA-N 0 1 301.340 3.885 20 30 DHEDMN Fc1cccc(NN=Cc2ccc(OC(F)F)c(Cl)c2)n1 ZINC000795006499 1030555297 /nfs/dbraw/zinc/55/52/97/1030555297.db2.gz BYCRXOAAOQMLDU-UHFFFAOYSA-N 0 1 315.682 3.922 20 30 DHEDMN Fc1cccc(NN=Cc2cnn(-c3ccc(Cl)cc3)c2)n1 ZINC000795007663 1030558393 /nfs/dbraw/zinc/55/83/93/1030558393.db2.gz LEGSPRLJXCQXKA-UHFFFAOYSA-N 0 1 315.739 3.506 20 30 DHEDMN CN(Cc1ccc(C#N)o1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000558422466 1030570786 /nfs/dbraw/zinc/57/07/86/1030570786.db2.gz COAOIFHRSOLPCP-ROUUACIJSA-N 0 1 310.397 3.829 20 30 DHEDMN C[C@@H](NCc1ccc(C#N)cc1F)[C@H]1OCCc2sccc21 ZINC000291731754 1030621740 /nfs/dbraw/zinc/62/17/40/1030621740.db2.gz NWPXECHDVPWWMS-PIGZYNQJSA-N 0 1 316.401 3.551 20 30 DHEDMN C=CCSc1ccccc1C(=O)Nc1cc(C#N)ccc1O ZINC000777276587 1030681820 /nfs/dbraw/zinc/68/18/20/1030681820.db2.gz CUGYUBRHOYRJOF-UHFFFAOYSA-N 0 1 310.378 3.794 20 30 DHEDMN CC[C@@H](C)N(C)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000247261789 1030684488 /nfs/dbraw/zinc/68/44/88/1030684488.db2.gz XCJFBDZEXXLEOF-ZIAGYGMSSA-N 0 1 319.474 3.750 20 30 DHEDMN C(#Cc1ccccc1NCc1n[nH]c(C2CC2)n1)c1ccccc1 ZINC000358997378 1030720914 /nfs/dbraw/zinc/72/09/14/1030720914.db2.gz FTNMHFWTNFTXHQ-UHFFFAOYSA-N 0 1 314.392 3.694 20 30 DHEDMN C#CCCC[N@@H+]1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000795075359 1030755874 /nfs/dbraw/zinc/75/58/74/1030755874.db2.gz OYQSXEVLPFGKBU-CJNGLKHVSA-N 0 1 311.347 3.881 20 30 DHEDMN C#CCCCN1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000795075359 1030755891 /nfs/dbraw/zinc/75/58/91/1030755891.db2.gz OYQSXEVLPFGKBU-CJNGLKHVSA-N 0 1 311.347 3.881 20 30 DHEDMN N#Cc1ccc(CN2CCC(Cc3c(F)cccc3F)CC2)o1 ZINC001171078676 1030758312 /nfs/dbraw/zinc/75/83/12/1030758312.db2.gz PFBKHLZZICFIOS-UHFFFAOYSA-N 0 1 316.351 3.884 20 30 DHEDMN COc1ccnc([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000926603025 1030823300 /nfs/dbraw/zinc/82/33/00/1030823300.db2.gz QZSYZEHSHLJECK-UGSOOPFHSA-N 0 1 307.397 3.690 20 30 DHEDMN CCS[C@H](C(=O)C(C#N)c1nc2ccccc2o1)C(C)C ZINC000067621931 1030828589 /nfs/dbraw/zinc/82/85/89/1030828589.db2.gz LFOFVQPSZQYHRC-ABAIWWIYSA-N 0 1 302.399 3.782 20 30 DHEDMN CCCN(Cc1cn2ccccc2c1C#N)C[C@H]1CCCCO1 ZINC000359184171 1030829042 /nfs/dbraw/zinc/82/90/42/1030829042.db2.gz TWWGFFNHHCDMDZ-QGZVFWFLSA-N 0 1 311.429 3.592 20 30 DHEDMN CCCN(Cc1cn2ccccc2c1C#N)C[C@@H]1CCCCO1 ZINC000359184170 1030830193 /nfs/dbraw/zinc/83/01/93/1030830193.db2.gz TWWGFFNHHCDMDZ-KRWDZBQOSA-N 0 1 311.429 3.592 20 30 DHEDMN C#CC[N@H+](Cc1ccc2nc[nH]c2c1)[C@@H]1CCc2ccccc21 ZINC001137046617 1030832695 /nfs/dbraw/zinc/83/26/95/1030832695.db2.gz HJKCBKMXUQCDKD-HXUWFJFHSA-N 0 1 301.393 3.686 20 30 DHEDMN C#CC[N@@H+](Cc1ccc2nc[nH]c2c1)[C@@H]1CCc2ccccc21 ZINC001137046617 1030832709 /nfs/dbraw/zinc/83/27/09/1030832709.db2.gz HJKCBKMXUQCDKD-HXUWFJFHSA-N 0 1 301.393 3.686 20 30 DHEDMN Cc1cc(C)c(C=C2CCc3c(C#N)c(=O)[nH]cc3C2=O)cc1C ZINC000844554628 1031210656 /nfs/dbraw/zinc/21/06/56/1031210656.db2.gz QSLVTSWKBMZRAE-RIYZIHGNSA-N 0 1 318.376 3.797 20 30 DHEDMN N#Cc1cncc(CN2CCC(Sc3ccccc3)CC2)c1 ZINC001144083887 1031235927 /nfs/dbraw/zinc/23/59/27/1031235927.db2.gz VUMKQAPUIZLHHX-UHFFFAOYSA-N 0 1 309.438 3.710 20 30 DHEDMN Cn1cc(CN2CCC(C#N)CC2)c(-c2cc3ccccc3o2)n1 ZINC000123736970 1031264889 /nfs/dbraw/zinc/26/48/89/1031264889.db2.gz JHLJKEQTEDKNDQ-UHFFFAOYSA-N 0 1 320.396 3.569 20 30 DHEDMN COc1ccc([C@@H](NCc2ccc(C#N)cc2F)C2CC2)cc1 ZINC000192509502 1031275392 /nfs/dbraw/zinc/27/53/92/1031275392.db2.gz ZRPMDQGPEZDUCO-IBGZPJMESA-N 0 1 310.372 3.947 20 30 DHEDMN N#Cc1ccc(C2(c3nc(C4(N)CCCC4)no3)CCCC2)cc1 ZINC000871787319 1031313552 /nfs/dbraw/zinc/31/35/52/1031313552.db2.gz VFMCBNTYAPWJPI-UHFFFAOYSA-N 0 1 322.412 3.529 20 30 DHEDMN C=C(CNC(=O)[C@@H](c1ccccc1)N(C)CC)c1ccccc1 ZINC000360221033 1031333499 /nfs/dbraw/zinc/33/34/99/1031333499.db2.gz KXEPITRZEJZAHG-LJQANCHMSA-N 0 1 308.425 3.509 20 30 DHEDMN N#Cc1ccc(-n2[nH]c(C3CCCC3)cc2=O)cc1C(F)(F)F ZINC000871949561 1031386732 /nfs/dbraw/zinc/38/67/32/1031386732.db2.gz FUQUCVXIYTZVFO-UHFFFAOYSA-N 0 1 321.302 3.860 20 30 DHEDMN N#CCCCC(=O)Nc1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC000360477098 1031440758 /nfs/dbraw/zinc/44/07/58/1031440758.db2.gz XKUASMVFMCPOEZ-UHFFFAOYSA-N 0 1 304.353 3.862 20 30 DHEDMN CCCN(Cc1cncc(C#N)c1)[C@@H](C)c1ccccc1OC ZINC000929381718 1031508999 /nfs/dbraw/zinc/50/89/99/1031508999.db2.gz BOGJFBAQOYWSHA-HNNXBMFYSA-N 0 1 309.413 3.935 20 30 DHEDMN Cc1nccnc1[C@H](C)N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000872134086 1031527381 /nfs/dbraw/zinc/52/73/81/1031527381.db2.gz RBUSAQYKRKNFMD-KSSFIOAISA-N 0 1 306.413 3.775 20 30 DHEDMN N#Cc1ccc2c(c1)CCN(Cc1c[nH]c3nc(Cl)ccc13)C2 ZINC001144410710 1031538148 /nfs/dbraw/zinc/53/81/48/1031538148.db2.gz YZUHPGVBIDNSHQ-UHFFFAOYSA-N 0 1 322.799 3.646 20 30 DHEDMN N#Cc1ccc(CN2CCC[C@@H](OC3CCC3)CC2)c(F)c1 ZINC000872261438 1031564552 /nfs/dbraw/zinc/56/45/52/1031564552.db2.gz FDUPOVIXZIMPJJ-QGZVFWFLSA-N 0 1 302.393 3.621 20 30 DHEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@@H]3C[C@@H]3C3CCCC3)[nH]c21 ZINC000845473595 1031596779 /nfs/dbraw/zinc/59/67/79/1031596779.db2.gz LLNDJHGTYASCAL-RBSFLKMASA-N 0 1 307.397 3.874 20 30 DHEDMN N#CC(C(=O)c1sccc1-c1ccc(F)cc1)c1ccncn1 ZINC000760336357 1031665999 /nfs/dbraw/zinc/66/59/99/1031665999.db2.gz YOIXOTNRAYPKIZ-AWEZNQCLSA-N 0 1 323.352 3.834 20 30 DHEDMN N#Cc1ccc([C@@H]2CN(C[C@@H]3C[C@H]3c3ccccc3)CCO2)cc1 ZINC000897596464 1031679361 /nfs/dbraw/zinc/67/93/61/1031679361.db2.gz QPMWMSVGCBWQPA-ACRUOGEOSA-N 0 1 318.420 3.735 20 30 DHEDMN C=CCCCCNC(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000872973499 1031684463 /nfs/dbraw/zinc/68/44/63/1031684463.db2.gz PEVKPGQZGCZTRG-OAHLLOKOSA-N 0 1 318.465 3.778 20 30 DHEDMN CC(C)(C#N)c1ccc(C(=O)Nc2ccc(F)c(F)c2O)cc1 ZINC001625987938 1031723812 /nfs/dbraw/zinc/72/38/12/1031723812.db2.gz JDVLUIPYACSVML-UHFFFAOYSA-N 0 1 316.307 3.724 20 30 DHEDMN C[C@H](CC(F)(F)F)C(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845845797 1031726829 /nfs/dbraw/zinc/72/68/29/1031726829.db2.gz ZEVOGTJBXDPJNM-DGCLKSJQSA-N 0 1 323.314 3.585 20 30 DHEDMN CC1(C)CCC[C@H]1C(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845846799 1031727940 /nfs/dbraw/zinc/72/79/40/1031727940.db2.gz VXXCCKJZPDGUOC-HOTGVXAUSA-N 0 1 309.409 3.822 20 30 DHEDMN C[C@H](C(=O)C(C#N)=C(O)C1(c2ccccc2)CC1)c1cccs1 ZINC000845842240 1031738523 /nfs/dbraw/zinc/73/85/23/1031738523.db2.gz SRTKHFBAAYBVPN-DZGCQCFKSA-N 0 1 323.417 3.861 20 30 DHEDMN N#CC(C(=O)[C@H]1C[C@H]1C1CCCC1)=C(O)C1(c2ccccc2)CC1 ZINC000845841770 1031738781 /nfs/dbraw/zinc/73/87/81/1031738781.db2.gz BRDRQMLVJRLREQ-OKZBNKHCSA-N 0 1 321.420 3.822 20 30 DHEDMN N#CC(C(=O)C[C@H]1C=CCCC1)=C(O)C1(c2ccccc2)CC1 ZINC000845841348 1031741041 /nfs/dbraw/zinc/74/10/41/1031741041.db2.gz ABFDMIJWEBBJQX-DOTOQJQBSA-N 0 1 307.393 3.743 20 30 DHEDMN Cc1ccc([C@H](C)C(O)=C(C#N)C(=O)C2(c3ccccc3)CC2)o1 ZINC000845840759 1031741077 /nfs/dbraw/zinc/74/10/77/1031741077.db2.gz FJLDKLQNUPUFPL-GOEBONIOSA-N 0 1 321.376 3.701 20 30 DHEDMN COc1ccc(CN[C@H]2CCOc3c(C)cc(C)cc32)cc1C#N ZINC000361143790 1031751995 /nfs/dbraw/zinc/75/19/95/1031751995.db2.gz LRJDULBJZCTVCY-SFHVURJKSA-N 0 1 322.408 3.797 20 30 DHEDMN C#CCCCCCC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845846862 1031753437 /nfs/dbraw/zinc/75/34/37/1031753437.db2.gz WRZYDHWOLDYCEA-KRWDZBQOSA-N 0 1 307.393 3.580 20 30 DHEDMN Cc1ccc(F)cc1C=NNc1ccc(Br)cn1 ZINC000777885844 1031772581 /nfs/dbraw/zinc/77/25/81/1031772581.db2.gz DELDUJLOODHHEV-UHFFFAOYSA-N 0 1 308.154 3.738 20 30 DHEDMN CC[C@@H](C#N)Oc1cccc(CNCc2cc3cnccc3o2)c1 ZINC000845938290 1031782726 /nfs/dbraw/zinc/78/27/26/1031782726.db2.gz SCMDMLMUQZRQLH-INIZCTEOSA-N 0 1 321.380 3.799 20 30 DHEDMN CC[N@@H+](CCCCC1(C#N)CCC1)CC(=O)N1CCCCCC1 ZINC000930470304 1031832299 /nfs/dbraw/zinc/83/22/99/1031832299.db2.gz GFAAJENONCKROG-UHFFFAOYSA-N 0 1 319.493 3.575 20 30 DHEDMN CCC[C@H](CC)C(=O)C(C#N)C(=O)Nc1ccccc1OCC ZINC000873498564 1031846344 /nfs/dbraw/zinc/84/63/44/1031846344.db2.gz WTMMVNDCYZVCEE-UONOGXRCSA-N 0 1 316.401 3.559 20 30 DHEDMN C=C1CCN(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CC1 ZINC000930561459 1031869910 /nfs/dbraw/zinc/86/99/10/1031869910.db2.gz YXSBBOYNGDLEQK-UHFFFAOYSA-N 0 1 306.316 3.684 20 30 DHEDMN C=CC[N@H+](CC(=O)[O-])Cc1c(OC(C)C)ccc2ccccc21 ZINC000846263642 1031946861 /nfs/dbraw/zinc/94/68/61/1031946861.db2.gz PWZUQTFRIOAFEQ-UHFFFAOYSA-N 0 1 313.397 3.700 20 30 DHEDMN C=CC[N@@H+](CC(=O)[O-])Cc1c(OC(C)C)ccc2ccccc21 ZINC000846263642 1031946875 /nfs/dbraw/zinc/94/68/75/1031946875.db2.gz PWZUQTFRIOAFEQ-UHFFFAOYSA-N 0 1 313.397 3.700 20 30 DHEDMN C=CCCCCCCCCC(=O)Nc1n[nH]c2nccnc12 ZINC001144794464 1031969139 /nfs/dbraw/zinc/96/91/39/1031969139.db2.gz KGGIIQOIJOLGJY-UHFFFAOYSA-N 0 1 301.394 3.598 20 30 DHEDMN C=CCCCCCCCCC(=O)Nc1[nH]cnc1C(=O)OCC ZINC001144793892 1031970020 /nfs/dbraw/zinc/97/00/20/1031970020.db2.gz BOIOKGLCBHQDKS-UHFFFAOYSA-N 0 1 321.421 3.832 20 30 DHEDMN C[C@H](Cc1cccc(C#N)c1)N1CCc2ncc(Cl)cc2C1 ZINC001171228009 1031993260 /nfs/dbraw/zinc/99/32/60/1031993260.db2.gz DEHVGBIPZRDBHJ-CYBMUJFWSA-N 0 1 311.816 3.596 20 30 DHEDMN CC(C)c1occc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C ZINC000361650689 1032039632 /nfs/dbraw/zinc/03/96/32/1032039632.db2.gz BRYHDQAASYFYBF-CYBMUJFWSA-N 0 1 307.353 3.780 20 30 DHEDMN CC(C)c1occc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000361650689 1032039659 /nfs/dbraw/zinc/03/96/59/1032039659.db2.gz 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/nfs/dbraw/zinc/05/06/71/333050671.db2.gz KIKZSGWTYALPMT-STQMWFEESA-N 0 1 309.335 3.670 20 30 DHEDMN Cc1cc(C)c(NC(=O)CN(C)CCCC(C)(C)C#N)c(C)c1 ZINC000174817078 333091283 /nfs/dbraw/zinc/09/12/83/333091283.db2.gz ZOYAREMJLCITES-UHFFFAOYSA-N 0 1 315.461 3.812 20 30 DHEDMN CC1(C)CCCN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174845107 333091730 /nfs/dbraw/zinc/09/17/30/333091730.db2.gz TXECTBKRXOOKQJ-UHFFFAOYSA-N 0 1 309.413 3.612 20 30 DHEDMN C=C(C)CN(CC)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000215935653 333102662 /nfs/dbraw/zinc/10/26/62/333102662.db2.gz CQLRNRRGYCBXQR-GOSISDBHSA-N 0 1 300.446 3.638 20 30 DHEDMN CC[C@@H](CC#N)NCc1ccc(OCc2ccccc2)cc1O ZINC000184094194 333191847 /nfs/dbraw/zinc/19/18/47/333191847.db2.gz HYNLFHKIRYXRMJ-KRWDZBQOSA-N 0 1 310.397 3.753 20 30 DHEDMN CCc1ccc([C@@H]2CN(CCCC(C)(C)C#N)CCO2)cc1 ZINC000190305254 333269711 /nfs/dbraw/zinc/26/97/11/333269711.db2.gz ZMFOIMJTOUJEJK-SFHVURJKSA-N 0 1 300.446 3.952 20 30 DHEDMN C=CC1CCN([C@@H](C)c2nc3sc(C)c(C)c3c(N)n2)CC1 ZINC000111256525 333328350 /nfs/dbraw/zinc/32/83/50/333328350.db2.gz NSONDTOJACSOFM-NSHDSACASA-N 0 1 316.474 3.849 20 30 DHEDMN COc1ccc(CN[C@H](C)c2cc(F)ccc2OC)cc1C#N ZINC000124973118 333504487 /nfs/dbraw/zinc/50/44/87/333504487.db2.gz BGIZSABTGKPOMK-GFCCVEGCSA-N 0 1 314.360 3.565 20 30 DHEDMN N#CCCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000273003689 334041947 /nfs/dbraw/zinc/04/19/47/334041947.db2.gz AMTVLZUDCRLKQL-UHFFFAOYSA-N 0 1 319.748 3.902 20 30 DHEDMN COCC[C@@H](NCc1ccccc1C(C)(C)C#N)c1ccco1 ZINC000273224234 334044353 /nfs/dbraw/zinc/04/43/53/334044353.db2.gz DPUUJVXKNWGHQY-QGZVFWFLSA-N 0 1 312.413 3.948 20 30 DHEDMN Cc1c2cc(C#N)ccc2sc1-c1nc(C2(N)CCCC2)no1 ZINC000414628788 334046901 /nfs/dbraw/zinc/04/69/01/334046901.db2.gz PDLAOBPKZCOACW-UHFFFAOYSA-N 0 1 324.409 3.859 20 30 DHEDMN CC[C@](C)(C#N)C(=O)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000285892357 334150594 /nfs/dbraw/zinc/15/05/94/334150594.db2.gz XOGJTNYUUUDUHA-AUUYWEPGSA-N 0 1 324.428 3.517 20 30 DHEDMN N#C[C@H]1CCC[C@@H](NCc2c(F)cccc2N2CCCC2)C1 ZINC000286369421 334152900 /nfs/dbraw/zinc/15/29/00/334152900.db2.gz ACYPGIPOJAJFLG-LSDHHAIUSA-N 0 1 301.409 3.598 20 30 DHEDMN CC[C@@](C)(C#N)C(=O)Nc1cccc2c1CN(CCC(C)C)C2 ZINC000289399980 334164793 /nfs/dbraw/zinc/16/47/93/334164793.db2.gz NCTOZGNXHPTOMO-IBGZPJMESA-N 0 1 313.445 3.927 20 30 DHEDMN N#CC(C(=O)c1cc[nH]c1C1CC1)c1nc2ccccc2s1 ZINC000340363314 334175494 /nfs/dbraw/zinc/17/54/94/334175494.db2.gz ZRGJOAHXZAYBIR-GFCCVEGCSA-N 0 1 307.378 3.992 20 30 DHEDMN COc1cc(CN(C)[C@H]2CC[C@@H](C#N)C2)c(SC)cc1OC ZINC000293063038 334195431 /nfs/dbraw/zinc/19/54/31/334195431.db2.gz LFASQTCKOLADMH-OCCSQVGLSA-N 0 1 320.458 3.550 20 30 DHEDMN CCC1(C)CN(Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000297387798 334240876 /nfs/dbraw/zinc/24/08/76/334240876.db2.gz KFDDVJCNNVZJPT-UHFFFAOYSA-N 0 1 302.418 3.610 20 30 DHEDMN C[C@H](CCC#N)N1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000297925391 334244981 /nfs/dbraw/zinc/24/49/81/334244981.db2.gz QSZFNVJWMUCBFX-GFCCVEGCSA-N 0 1 306.356 3.552 20 30 DHEDMN CC[N@H+](Cc1cc(Br)ccc1[O-])[C@@H](C)CCC#N ZINC000299288719 334254572 /nfs/dbraw/zinc/25/45/72/334254572.db2.gz NQSILVPTKVFBNZ-NSHDSACASA-N 0 1 311.223 3.669 20 30 DHEDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])[C@@H](C)CCC#N ZINC000299288719 334254574 /nfs/dbraw/zinc/25/45/74/334254574.db2.gz NQSILVPTKVFBNZ-NSHDSACASA-N 0 1 311.223 3.669 20 30 DHEDMN C=CCC(F)(F)c1nc(-c2ccc(F)c(CN(C)C)c2)no1 ZINC000340625180 334254618 /nfs/dbraw/zinc/25/46/18/334254618.db2.gz IXMWBKWHJQIONO-UHFFFAOYSA-N 0 1 311.307 3.605 20 30 DHEDMN COc1cc(CN[C@@H](C)c2ccc(F)c(F)c2)ccc1C#N ZINC000353609842 334256239 /nfs/dbraw/zinc/25/62/39/334256239.db2.gz KTGCJPGWLBYFJC-NSHDSACASA-N 0 1 302.324 3.696 20 30 DHEDMN C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000187700451 334269036 /nfs/dbraw/zinc/26/90/36/334269036.db2.gz QHJBMBHREWTWDT-IIBYNOLFSA-N 0 1 318.420 3.793 20 30 DHEDMN C[C@H](c1cccc(C#N)c1)N1CCO[C@]2(CCc3ccccc32)C1 ZINC000187700451 334269038 /nfs/dbraw/zinc/26/90/38/334269038.db2.gz QHJBMBHREWTWDT-IIBYNOLFSA-N 0 1 318.420 3.793 20 30 DHEDMN C=CCSc1ccccc1NC(=O)CN(C)CC1CCC1 ZINC000111296285 334318481 /nfs/dbraw/zinc/31/84/81/334318481.db2.gz MUARHOYWLDHVCZ-UHFFFAOYSA-N 0 1 304.459 3.635 20 30 DHEDMN Cc1csc([C@@H](C#N)C(=O)c2ccccc2OCC2CC2)n1 ZINC000102115643 334379032 /nfs/dbraw/zinc/37/90/32/334379032.db2.gz XGWILWSQGYMNII-AWEZNQCLSA-N 0 1 312.394 3.730 20 30 DHEDMN Cc1csc(C(C#N)C(=O)c2ccccc2OCC2CC2)n1 ZINC000102115643 334379033 /nfs/dbraw/zinc/37/90/33/334379033.db2.gz XGWILWSQGYMNII-AWEZNQCLSA-N 0 1 312.394 3.730 20 30 DHEDMN N#Cc1cccc(CN(CCO)[C@@H]2CCCc3ccccc32)c1F ZINC000340839805 334388968 /nfs/dbraw/zinc/38/89/68/334388968.db2.gz YLVBSFDMVYNLSB-LJQANCHMSA-N 0 1 324.399 3.569 20 30 DHEDMN N#Cc1cccc(CN(CCc2ccccc2)[C@H]2CCOC2)c1F ZINC000340900649 334389399 /nfs/dbraw/zinc/38/93/99/334389399.db2.gz JPGJLTKETIWZBM-IBGZPJMESA-N 0 1 324.399 3.531 20 30 DHEDMN N#Cc1cccc(CN[C@H](c2ccccc2)[C@@H]2CCOC2)c1F ZINC000341873861 334488528 /nfs/dbraw/zinc/48/85/28/334488528.db2.gz HJFIRQIOJZTYDF-IEBWSBKVSA-N 0 1 310.372 3.565 20 30 DHEDMN CCSc1cccc(CN2CCC(C#N)(COC)CC2)c1 ZINC000342845888 334582311 /nfs/dbraw/zinc/58/23/11/334582311.db2.gz ZAWNLWNBQLWQCM-UHFFFAOYSA-N 0 1 304.459 3.551 20 30 DHEDMN CCOc1ccc([C@@H](C)NCc2cc(C#N)cs2)cc1OC ZINC000343087036 334598696 /nfs/dbraw/zinc/59/86/96/334598696.db2.gz UGTVJWKOKBIEKL-GFCCVEGCSA-N 0 1 316.426 3.878 20 30 DHEDMN COc1cc(Cl)ccc1CNCc1ccc(C#N)c(C)c1 ZINC000443978764 338465139 /nfs/dbraw/zinc/46/51/39/338465139.db2.gz LWNJXUXPGBPFQQ-UHFFFAOYSA-N 0 1 300.789 3.819 20 30 DHEDMN Cc1cc(CNCc2cc(Cl)cc3c2OCC3)ccc1C#N ZINC000444003566 338466711 /nfs/dbraw/zinc/46/67/11/338466711.db2.gz SYSCZOGABMNJBM-UHFFFAOYSA-N 0 1 312.800 3.745 20 30 DHEDMN CCCn1ccc2ccc(NC(=O)c3ccc(C#N)c(O)c3)cc21 ZINC000188602430 334869914 /nfs/dbraw/zinc/86/99/14/334869914.db2.gz PMWMFGPBHRAQSK-UHFFFAOYSA-N 0 1 319.364 3.881 20 30 DHEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3csc(C(C)C)n3)[nH]c21 ZINC000345368614 335321079 /nfs/dbraw/zinc/32/10/79/335321079.db2.gz GJKLNRUUDHRXIJ-LLVKDONJSA-N 0 1 324.409 3.941 20 30 DHEDMN COc1ccc(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)cc1F ZINC000345390196 335322668 /nfs/dbraw/zinc/32/26/68/335322668.db2.gz CYALEPAWTQEOPN-GFCCVEGCSA-N 0 1 323.327 3.509 20 30 DHEDMN CCOc1cc2c(cc1OCC)CN(CCC(C)(C)C#N)CC2 ZINC000345710715 335349550 /nfs/dbraw/zinc/34/95/50/335349550.db2.gz LBNFPBPDACDLAY-UHFFFAOYSA-N 0 1 316.445 3.782 20 30 DHEDMN C[C@@H](NCc1cnn(-c2ccccc2)c1)c1ccc(C#N)c(F)c1 ZINC000346149711 335382212 /nfs/dbraw/zinc/38/22/12/335382212.db2.gz YBDMKMXXWPXJHI-CQSZACIVSA-N 0 1 320.371 3.734 20 30 DHEDMN OCC[C@@H](NCC#Cc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000347426461 335495735 /nfs/dbraw/zinc/49/57/35/335495735.db2.gz IMVNEYBCFAENDJ-GOSISDBHSA-N 0 1 317.791 3.544 20 30 DHEDMN CC[C@@H](NCC#Cc1ccc(Cl)cc1)c1c(C)nn(C)c1C ZINC000348018625 335542768 /nfs/dbraw/zinc/54/27/68/335542768.db2.gz OGLMRECOTRDIHH-QGZVFWFLSA-N 0 1 315.848 3.783 20 30 DHEDMN C=CC(C)(C)C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000520502186 335983394 /nfs/dbraw/zinc/98/33/94/335983394.db2.gz FEFKYNLTZVMOMB-MRXNPFEDSA-N 0 1 320.864 3.805 20 30 DHEDMN Cc1cnn([C@H]2CCN(C([O-])=[NH+]C3CCC(C(C)C)CC3)C2)c1 ZINC000329621678 336014641 /nfs/dbraw/zinc/01/46/41/336014641.db2.gz RQEXAMFNMYDDGO-JCYILVPMSA-N 0 1 318.465 3.567 20 30 DHEDMN CCC1(C[NH+]=C([O-])N2CC[C@@H](n3cc(C)cn3)C2)CCCCC1 ZINC000329689380 336045521 /nfs/dbraw/zinc/04/55/21/336045521.db2.gz ZFPCZURCIAGRLD-MRXNPFEDSA-N 0 1 318.465 3.713 20 30 DHEDMN C=CCC(C)(C)C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C ZINC000351882483 336086153 /nfs/dbraw/zinc/08/61/53/336086153.db2.gz QNKWIDLXXIUYMW-HNNXBMFYSA-N 0 1 302.418 3.613 20 30 DHEDMN C[C@H](Cn1cccn1)[NH+]=C([O-])N1CCCC2(C1)CCCCCC2 ZINC000329830507 336087489 /nfs/dbraw/zinc/08/74/89/336087489.db2.gz SLMMMYVNQITQBS-MRXNPFEDSA-N 0 1 318.465 3.622 20 30 DHEDMN CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000330083058 336112069 /nfs/dbraw/zinc/11/20/69/336112069.db2.gz BFVIJUBOZUUTSI-QLFBSQMISA-N 0 1 318.465 3.896 20 30 DHEDMN CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000330083056 336112103 /nfs/dbraw/zinc/11/21/03/336112103.db2.gz BFVIJUBOZUUTSI-ILXRZTDVSA-N 0 1 318.465 3.896 20 30 DHEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)[C@H]1SCCc2ccccc21 ZINC000330101289 336113748 /nfs/dbraw/zinc/11/37/48/336113748.db2.gz FJDYHICXRGINJT-ZBFHGGJFSA-N 0 1 313.426 3.774 20 30 DHEDMN Cc1ccc2c(c1)[C@H](NC(=O)N[C@@H]1CCCc3cn[nH]c31)CCC2 ZINC000330232797 336127554 /nfs/dbraw/zinc/12/75/54/336127554.db2.gz XMNSXMONGJNTIY-IAGOWNOFSA-N 0 1 324.428 3.677 20 30 DHEDMN O=C(Nc1cc(F)ccc1O)[C@H]1CCCCN1C1CCCC1 ZINC000330293587 336136374 /nfs/dbraw/zinc/13/63/74/336136374.db2.gz HXPJPHKRJTVWPX-OAHLLOKOSA-N 0 1 306.381 3.916 20 30 DHEDMN C=C(C)CN(Cc1ccc(CO)o1)Cc1ccc2ncccc2c1 ZINC000352798189 336237945 /nfs/dbraw/zinc/23/79/45/336237945.db2.gz JSKYTWKIWVRXNR-UHFFFAOYSA-N 0 1 322.408 3.898 20 30 DHEDMN CC(=O)c1cc(C(O)=C(C#N)c2nc3ccccc3[nH]2)ccc1C ZINC000192769963 336261241 /nfs/dbraw/zinc/26/12/41/336261241.db2.gz BLMWOTVVEUWXLV-HNNXBMFYSA-N 0 1 317.348 3.564 20 30 DHEDMN N#Cc1csc(CNCCc2cc(Cl)cc(Cl)c2)n1 ZINC000352856465 336281434 /nfs/dbraw/zinc/28/14/34/336281434.db2.gz WYAWDAVTZAEUQE-UHFFFAOYSA-N 0 1 312.225 3.654 20 30 DHEDMN N#Cc1ccc(N2CCN(Cc3cccs3)CC2)cc1Cl ZINC000301169915 336293079 /nfs/dbraw/zinc/29/30/79/336293079.db2.gz JIOOWJCQVNLUEV-UHFFFAOYSA-N 0 1 317.845 3.595 20 30 DHEDMN C[C@@H]1CN(C(C)(C)CNc2ccc(C#N)c(Cl)c2)C[C@H](C)O1 ZINC000301270051 336297891 /nfs/dbraw/zinc/29/78/91/336297891.db2.gz VABLBUJFVGHZSE-BETUJISGSA-N 0 1 321.852 3.511 20 30 DHEDMN C[C@H]1CN(C(C)(C)CNc2cc(Cl)ccc2C#N)C[C@H](C)O1 ZINC000301288417 336298947 /nfs/dbraw/zinc/29/89/47/336298947.db2.gz RYRDBWARQOCMBN-STQMWFEESA-N 0 1 321.852 3.511 20 30 DHEDMN CCc1ccc(CN2CCN(c3ccc(C#N)cc3)CC2)s1 ZINC000301347727 336301807 /nfs/dbraw/zinc/30/18/07/336301807.db2.gz HOJUVKOZJKAEOS-UHFFFAOYSA-N 0 1 311.454 3.504 20 30 DHEDMN Cc1ccc(NC[C@@H](c2ccccc2Cl)N(C)C)nc1C#N ZINC000302720543 336366376 /nfs/dbraw/zinc/36/63/76/336366376.db2.gz OZICYDGYUTWMSG-INIZCTEOSA-N 0 1 314.820 3.630 20 30 DHEDMN CN1CC[C@H](Nc2c(F)cc(C#N)cc2F)[C@H]1c1ccccc1 ZINC000302830254 336371260 /nfs/dbraw/zinc/37/12/60/336371260.db2.gz PWBCVWWUHQTRHH-FUHWJXTLSA-N 0 1 313.351 3.694 20 30 DHEDMN CC[C@@](C)(C#N)C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000352960072 336379445 /nfs/dbraw/zinc/37/94/45/336379445.db2.gz WNYJPIAEFINYRP-SFHVURJKSA-N 0 1 319.368 3.503 20 30 DHEDMN C[C@H](c1ccc(F)cc1)N1CCC(C#N)(c2ccccn2)CC1 ZINC000369223745 336860879 /nfs/dbraw/zinc/86/08/79/336860879.db2.gz HDBQOVPKCJQRGV-OAHLLOKOSA-N 0 1 309.388 3.839 20 30 DHEDMN Cn1c2ccccc2nc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000418136135 336897095 /nfs/dbraw/zinc/89/70/95/336897095.db2.gz ABHNPAVXLVXMCK-QGZVFWFLSA-N 0 1 316.408 3.612 20 30 DHEDMN N#Cc1ccc(/C=C/c2ccc(O)c(Br)c2)nc1 ZINC000193447311 336931721 /nfs/dbraw/zinc/93/17/21/336931721.db2.gz VWOBAXXOAXWLBX-DAFODLJHSA-N 0 1 301.143 3.592 20 30 DHEDMN C=C[C@@H](CC(=O)N1CCC(c2cn[nH]c2C)CC1)c1ccccc1 ZINC000375922874 337023287 /nfs/dbraw/zinc/02/32/87/337023287.db2.gz PVUJYSXVGFIDAQ-INIZCTEOSA-N 0 1 323.440 3.784 20 30 DHEDMN CCCCCCCCCN(C)C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000378066148 337065881 /nfs/dbraw/zinc/06/58/81/337065881.db2.gz FCMFTKUGBAJZIY-OAHLLOKOSA-N 0 1 320.481 3.659 20 30 DHEDMN C=CCOc1ccc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)cc1OC ZINC000582458406 337078249 /nfs/dbraw/zinc/07/82/49/337078249.db2.gz KSFYBWPIOZNOTA-ZDUSSCGKSA-N 0 1 311.372 3.737 20 30 DHEDMN C=CCOc1ccc(CN2CCC(F)(F)[C@@H](C)C2)cc1OC ZINC000582458406 337078250 /nfs/dbraw/zinc/07/82/50/337078250.db2.gz KSFYBWPIOZNOTA-ZDUSSCGKSA-N 0 1 311.372 3.737 20 30 DHEDMN FC(F)(F)c1ccc(C#CC[N@@H+](C[C@@H]2CCOC2)C2CC2)cc1 ZINC000177027931 337154081 /nfs/dbraw/zinc/15/40/81/337154081.db2.gz VWIRKYDVPSSPCJ-HNNXBMFYSA-N 0 1 323.358 3.558 20 30 DHEDMN Cc1cccc2nc(CN(Cc3ccc(C#N)cc3)C(C)C)cn21 ZINC000063750677 337288944 /nfs/dbraw/zinc/28/89/44/337288944.db2.gz FOQDCQZRHJXVAR-UHFFFAOYSA-N 0 1 318.424 3.925 20 30 DHEDMN 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Cc1cc([C@H]2CCCN(C(=O)NC3CCC(C)(C)CC3)C2)n[nH]1 ZINC000328712526 1013793687 /nfs/dbraw/zinc/79/36/87/1013793687.db2.gz RTJBBRLLZWRAMZ-AWEZNQCLSA-N 0 1 318.465 3.780 20 30 DHEDMN Cc1nc2cccc(C(=O)N[C@@H]3[C@@H]4CCc5ccccc5[C@@H]43)c2[nH]1 ZINC000328703526 1013794035 /nfs/dbraw/zinc/79/40/35/1013794035.db2.gz OHDZIQZIGBUOCC-DKSSEZFCSA-N 0 1 317.392 3.904 20 30 DHEDMN CCc1nc([C@H](C)NC(=O)[C@@H]2CCSc3ccccc32)n[nH]1 ZINC000328907705 1013807206 /nfs/dbraw/zinc/80/72/06/1013807206.db2.gz CJPHPVBYZXNJJH-CMPLNLGQSA-N 0 1 316.430 3.664 20 30 DHEDMN CC(C)c1nc([C@@H]2CCCCN2CCCC(C)(C)C#N)n[nH]1 ZINC000330847681 1013844785 /nfs/dbraw/zinc/84/47/85/1013844785.db2.gz LYIRARIBFCONAT-AWEZNQCLSA-N 0 1 303.454 3.785 20 30 DHEDMN CC[C@H](C)C[C@H](C)[NH+]=C([O-])N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000330950173 1013849283 /nfs/dbraw/zinc/84/92/83/1013849283.db2.gz JYZGWTWXGGKAJE-YHUYYLMFSA-N 0 1 306.454 3.505 20 30 DHEDMN CC[C@H](C)C[C@H](C)[NH+]=C([O-])N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000330983372 1013851867 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C[C@@H](NCc1cnn(-c2ccc(F)cc2)c1)c1cccc(C#N)c1 ZINC000610345287 1013952970 /nfs/dbraw/zinc/95/29/70/1013952970.db2.gz ZQFCLIMNDIZSJW-CQSZACIVSA-N 0 1 320.371 3.734 20 30 DHEDMN C[C@H](NCc1cnc(-c2ccccc2)nc1)c1cccc(C#N)c1 ZINC000610344891 1013953796 /nfs/dbraw/zinc/95/37/96/1013953796.db2.gz KTRXEVLFELQZTO-HNNXBMFYSA-N 0 1 314.392 3.866 20 30 DHEDMN CCc1ccccc1NC(=O)[C@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000610346616 1013959777 /nfs/dbraw/zinc/95/97/77/1013959777.db2.gz YXLSNLVSFDIDSV-GJZGRUSLSA-N 0 1 321.424 3.798 20 30 DHEDMN N#Cc1ccc(CNCc2cc(F)cc3cccnc32)c(F)c1 ZINC000177770820 1014148844 /nfs/dbraw/zinc/14/88/44/1014148844.db2.gz MBZCXLUMAMBXTI-UHFFFAOYSA-N 0 1 309.319 3.674 20 30 DHEDMN COc1ccc(CN(C)[C@H](C)c2sc(C)nc2C)cc1C#N ZINC000135060368 1014173865 /nfs/dbraw/zinc/17/38/65/1014173865.db2.gz XQFJSFFCZCUDOG-GFCCVEGCSA-N 0 1 315.442 3.833 20 30 DHEDMN Oc1c(Cl)cc(Cl)cc1/C=N/C[C@@H](O)c1ccccc1 ZINC000049214165 1014265034 /nfs/dbraw/zinc/26/50/34/1014265034.db2.gz VZWMSGXIXRTKNN-GHIJENOOSA-N 0 1 310.180 3.852 20 30 DHEDMN C=C[C@H](CC)CC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001125467995 1014307464 /nfs/dbraw/zinc/30/74/64/1014307464.db2.gz UZFVIBAMXOANCR-NUJGCVRESA-N 0 1 300.446 3.540 20 30 DHEDMN N#Cc1cnn2cc(C[N@H+]3CCCC4(CCCCC4)CC3)cnc12 ZINC000580773661 1014342678 /nfs/dbraw/zinc/34/26/78/1014342678.db2.gz GJCGHEURJLJJFB-UHFFFAOYSA-N 0 1 323.444 3.537 20 30 DHEDMN C=CCOCCN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000580777037 1014344402 /nfs/dbraw/zinc/34/44/02/1014344402.db2.gz HOLIULDHTOOZLR-UHFFFAOYSA-N 0 1 324.399 3.902 20 30 DHEDMN Cc1csc(C(C#N)C(=O)C=CSc2ccccc2)n1 ZINC000255262837 1014546250 /nfs/dbraw/zinc/54/62/50/1014546250.db2.gz BOUJGKYSPUFXSH-MEJMFZKBSA-N 0 1 300.408 3.934 20 30 DHEDMN C=CCC[C@@H](C(=O)NCCN1CC=C(C)CC1)c1ccccc1 ZINC000427952569 1014557960 /nfs/dbraw/zinc/55/79/60/1014557960.db2.gz UZUJDVXWBKTMJB-LJQANCHMSA-N 0 1 312.457 3.505 20 30 DHEDMN N#Cc1ccc(C[N@@H+](CCC(F)(F)F)CC2CC2)cc1F ZINC000192065081 1014583191 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CCC[C@H]1[C@@H](C)CCC[N@H+]1Cc1cccc(C(=O)[O-])c1C#N ZINC001595620124 981686048 /nfs/dbraw/zinc/68/60/48/981686048.db2.gz XGNRWXWKMAIVSY-GUYCJALGSA-N 0 1 300.402 3.657 20 30 DHEDMN COc1cc(CN(C)Cc2cc3ccccc3o2)ccc1C#N ZINC000442891781 1014764350 /nfs/dbraw/zinc/76/43/50/1014764350.db2.gz SORSGJHCRWLODC-UHFFFAOYSA-N 0 1 306.365 3.945 20 30 DHEDMN C=CC1CCN(CC(=O)Nc2ccccc2C(C)(C)C)CC1 ZINC000522082412 1014886221 /nfs/dbraw/zinc/88/62/21/1014886221.db2.gz YJVXJNSXJPALCA-UHFFFAOYSA-N 0 1 300.446 3.821 20 30 DHEDMN N#Cc1cccc(ONC(=O)Cc2cccc(Cl)c2Cl)c1 ZINC001171255301 1032104761 /nfs/dbraw/zinc/10/47/61/1032104761.db2.gz FGRKQYZHESFEFL-UHFFFAOYSA-N 0 1 321.163 3.518 20 30 DHEDMN CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)c1ccc(C(=O)[O-])o1 ZINC001595885684 982907393 /nfs/dbraw/zinc/90/73/93/982907393.db2.gz AWJULPBVBHBYLB-CYBMUJFWSA-N 0 1 312.369 3.823 20 30 DHEDMN Cc1noc2ncc(CNC3(c4ccc(C#N)cc4)CCC3)cc12 ZINC000895188650 1014926732 /nfs/dbraw/zinc/92/67/32/1014926732.db2.gz PUJBNFLLEWMMQW-UHFFFAOYSA-N 0 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310.275 3.567 20 30 DHEDMN C=CC[C@H](NCc1cc2c(cc1OC)C[C@H](C)O2)c1ccncc1 ZINC000734510483 1020617461 /nfs/dbraw/zinc/61/74/61/1020617461.db2.gz VVPBLQXITJAHKY-KSSFIOAISA-N 0 1 324.424 3.821 20 30 DHEDMN Cc1ccc(NC(=O)C[C@H](C)NCC(C)(C)C#N)cc1Cl ZINC000612585839 1020632000 /nfs/dbraw/zinc/63/20/00/1020632000.db2.gz SXIHZSYBYNIABG-LBPRGKRZSA-N 0 1 307.825 3.505 20 30 DHEDMN CN(Cc1ccccc1O)Cc1cc(Cl)ccc1OCC#N ZINC000735309073 1020714916 /nfs/dbraw/zinc/71/49/16/1020714916.db2.gz FHVZYDNIQLHGOG-UHFFFAOYSA-N 0 1 316.788 3.580 20 30 DHEDMN Cc1ccc2[nH]cc(C=NN=c3[nH]c4ccccc4n3C)c2c1 ZINC000735612459 1020752863 /nfs/dbraw/zinc/75/28/63/1020752863.db2.gz LJSWNDGZNJAILJ-UHFFFAOYSA-N 0 1 303.369 3.809 20 30 DHEDMN Cc1cccc2nc([C@@H](C#N)C(=O)CCc3ccccc3)[nH]c21 ZINC000735793059 1020769830 /nfs/dbraw/zinc/76/98/30/1020769830.db2.gz PUWURDZKEWQXCW-HNNXBMFYSA-N 0 1 303.365 3.680 20 30 DHEDMN CCCCCCOCC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000735793334 1020769952 /nfs/dbraw/zinc/76/99/52/1020769952.db2.gz 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/nfs/dbraw/zinc/93/36/10/1020933610.db2.gz LFTQUZVHUOXJHH-MAUKXSAKSA-N 0 1 308.429 3.915 20 30 DHEDMN CN1Cc2ccccc2[C@H](Nc2nc(C(C)(C)C)ccc2C#N)C1 ZINC000613431312 1020955427 /nfs/dbraw/zinc/95/54/27/1020955427.db2.gz VLSVBBJGMQOUDZ-QGZVFWFLSA-N 0 1 320.440 3.849 20 30 DHEDMN N#C[C@@H]1CC[C@@H](NCc2cccc(Br)c2Cl)C1 ZINC000414210715 1020999238 /nfs/dbraw/zinc/99/92/38/1020999238.db2.gz MYGRRAURYGCALP-MWLCHTKSSA-N 0 1 313.626 3.884 20 30 DHEDMN COc1cc(C(=O)/C=C\c2cc(F)c(O)c(F)c2)ccc1F ZINC000255900332 1021084078 /nfs/dbraw/zinc/08/40/78/1021084078.db2.gz GTZRWMJRFSDEOJ-DJWKRKHSSA-N 0 1 308.255 3.714 20 30 DHEDMN COc1ccc(CN[C@H](C)c2cc(F)c(F)c(F)c2)cc1C#N ZINC000742370237 1021112844 /nfs/dbraw/zinc/11/28/44/1021112844.db2.gz YBUMNJBVSJBQSF-SNVBAGLBSA-N 0 1 320.314 3.835 20 30 DHEDMN FC(F)(F)COc1ccccc1CNCC#Cc1ccccc1 ZINC000742372390 1021114114 /nfs/dbraw/zinc/11/41/14/1021114114.db2.gz YZXDUIJTSWKTBS-UHFFFAOYSA-N 0 1 319.326 3.769 20 30 DHEDMN CC[C@@H](C#N)Oc1cccc(CNCc2cc(F)cc(F)c2)c1 ZINC000162513573 1021126361 /nfs/dbraw/zinc/12/63/61/1021126361.db2.gz CYTPZEOYMZASKO-KRWDZBQOSA-N 0 1 316.351 3.936 20 30 DHEDMN CCOc1cccc([C@@H](C)NCc2ccc(C#N)cc2OC)c1 ZINC000180698574 1021148569 /nfs/dbraw/zinc/14/85/69/1021148569.db2.gz QQKMFEIZXHUWSO-CQSZACIVSA-N 0 1 310.397 3.816 20 30 DHEDMN C[C@H](Cc1ccc(Br)cc1F)NCC(C)(C)C#N ZINC000613540377 1021196706 /nfs/dbraw/zinc/19/67/06/1021196706.db2.gz PXTWMNYTJWPLNI-SNVBAGLBSA-N 0 1 313.214 3.659 20 30 DHEDMN Cc1n[nH]c(C)c1[C@H]1CCCN1CC#Cc1cccc(Cl)c1 ZINC000091081660 1021260963 /nfs/dbraw/zinc/26/09/63/1021260963.db2.gz OVWRIUAXVKNWJJ-QGZVFWFLSA-N 0 1 313.832 3.869 20 30 DHEDMN C(=NNCCN1CCCCC1)c1cc(-c2ccccc2)cs1 ZINC000917545678 1021290207 /nfs/dbraw/zinc/29/02/07/1021290207.db2.gz XAEAVZWZTQTROT-UHFFFAOYSA-N 0 1 313.470 3.825 20 30 DHEDMN Fc1cccc(NN=Cc2ccc(N3CCCCC3)o2)c1F ZINC000743442742 1021292579 /nfs/dbraw/zinc/29/25/79/1021292579.db2.gz FDVGNGITABDYCO-UHFFFAOYSA-N 0 1 305.328 3.994 20 30 DHEDMN CCCCCC[C@@H](C)NN=Cc1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000743449951 1021292939 /nfs/dbraw/zinc/29/29/39/1021292939.db2.gz CYEGRGHILKZTID-GFCCVEGCSA-N 0 1 323.393 3.591 20 30 DHEDMN C#CCN(Cc1ccc(F)cc1)C[C@H](O)c1cccc(Cl)c1 ZINC000743842061 1021372360 /nfs/dbraw/zinc/37/23/60/1021372360.db2.gz AVXHEDMMRJNBIJ-SFHVURJKSA-N 0 1 317.791 3.648 20 30 DHEDMN Cc1cc(C(C#N)C(=O)[C@H](C)c2cccc(Cl)c2)nc(C)n1 ZINC000744026857 1021405165 /nfs/dbraw/zinc/40/51/65/1021405165.db2.gz ZTDJARLUTZRNOQ-IAQYHMDHSA-N 0 1 313.788 3.727 20 30 DHEDMN Cc1cc(C(C#N)C(=O)[C@@H](C)c2cccc(Cl)c2)nc(C)n1 ZINC000744026858 1021405669 /nfs/dbraw/zinc/40/56/69/1021405669.db2.gz ZTDJARLUTZRNOQ-NHYWBVRUSA-N 0 1 313.788 3.727 20 30 DHEDMN C[C@@H]1C[C@H](C)CN(Cc2ccc(C#N)c(Br)c2)C1 ZINC001236862761 1021406057 /nfs/dbraw/zinc/40/60/57/1021406057.db2.gz YBGVRKRJBDGVMC-TXEJJXNPSA-N 0 1 307.235 3.799 20 30 DHEDMN N#Cc1ccc2c(c1)CC[C@H]2NCc1cn2cc(Cl)ccc2n1 ZINC000618742055 1021504382 /nfs/dbraw/zinc/50/43/82/1021504382.db2.gz PVARWELYHDAJPL-QGZVFWFLSA-N 0 1 322.799 3.636 20 30 DHEDMN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(C#N)cc1F ZINC000618803179 1021531663 /nfs/dbraw/zinc/53/16/63/1021531663.db2.gz HEBWUEWKCFOMAR-BLVKFPJESA-N 0 1 305.356 3.907 20 30 DHEDMN C[C@@H](CC(C)(C)C#N)NCc1nc(-c2ccncc2)cs1 ZINC000926833381 1021559091 /nfs/dbraw/zinc/55/90/91/1021559091.db2.gz MVUGGIAGGQDPQM-LBPRGKRZSA-N 0 1 300.431 3.623 20 30 DHEDMN COc1ccc(C[C@H](C)CN2CCC[C@@](C)(C#N)C2)cc1F ZINC000613620661 1021577341 /nfs/dbraw/zinc/57/73/41/1021577341.db2.gz HILOWRFUOAIGLH-KSSFIOAISA-N 0 1 304.409 3.639 20 30 DHEDMN Cc1ccc(-c2nc(CN=Nc3cc(C)nc(C)n3)cs2)cc1 ZINC000918712932 1021628403 /nfs/dbraw/zinc/62/84/03/1021628403.db2.gz UBXUYHCVIYMRDJ-UHFFFAOYSA-N 0 1 323.425 3.971 20 30 DHEDMN CCc1ccc(NC(=O)C(C#N)C(=O)C2CCC3(CC3)CC2)cc1 ZINC000850759633 1021641260 /nfs/dbraw/zinc/64/12/60/1021641260.db2.gz LKDRLNWCHMVVAO-KRWDZBQOSA-N 0 1 324.424 3.867 20 30 DHEDMN Cc1cccc(NC(=O)C(C#N)C(=O)C[C@H]2CCC[C@H](C)C2)c1 ZINC000122416776 1021705789 /nfs/dbraw/zinc/70/57/89/1021705789.db2.gz CSHDHZZELCWLNK-JLJPHGGASA-N 0 1 312.413 3.859 20 30 DHEDMN C=C(Cl)CNCc1cccc(OCc2ccccc2C#N)c1 ZINC000763434273 1021756454 /nfs/dbraw/zinc/75/64/54/1021756454.db2.gz UWPORILMALWLBW-UHFFFAOYSA-N 0 1 312.800 3.979 20 30 DHEDMN CCc1ccc(NC(=O)C(C#N)C(=O)CC(C)(C)CC)cc1 ZINC000745948243 1021803222 /nfs/dbraw/zinc/80/32/22/1021803222.db2.gz XUKTWZKDZRSFBX-HNNXBMFYSA-N 0 1 300.402 3.723 20 30 DHEDMN COc1cc(CN2CCCO[C@@H](c3ccccc3)C2)ccc1C#N ZINC000619674393 1021825062 /nfs/dbraw/zinc/82/50/62/1021825062.db2.gz AWRBOVUDESQIKH-HXUWFJFHSA-N 0 1 322.408 3.530 20 30 DHEDMN C[C@H](C#N)Oc1ccc(CNCc2ccc([C@H]3C[C@H]3C)o2)cc1 ZINC000728712103 1021866804 /nfs/dbraw/zinc/86/68/04/1021866804.db2.gz ZUSNVQHRYAKDNN-LBTNJELSSA-N 0 1 310.397 3.984 20 30 DHEDMN COc1ccccc1[C@H](C)NCc1ccc(O[C@H](C)C#N)cc1 ZINC000728713129 1021880120 /nfs/dbraw/zinc/88/01/20/1021880120.db2.gz LKJUVVTVISZBMF-CABCVRRESA-N 0 1 310.397 3.837 20 30 DHEDMN 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ZINC000863388124 1034082443 /nfs/dbraw/zinc/08/24/43/1034082443.db2.gz VNIADKOTHTYILP-GFCCVEGCSA-N 0 1 302.328 3.570 20 30 DHEDMN C#CCN(Cc1[nH]nc2c1cccc2C)[C@@H]1CCc2ccccc21 ZINC001137147941 1034156405 /nfs/dbraw/zinc/15/64/05/1034156405.db2.gz LTRVOKUSUVEZGG-HXUWFJFHSA-N 0 1 315.420 3.994 20 30 DHEDMN N#Cc1ccc(C(F)(F)F)cc1Nc1ccc2nccn2c1 ZINC001174279289 1034242928 /nfs/dbraw/zinc/24/29/28/1034242928.db2.gz RSCVXJMPVUBYDN-UHFFFAOYSA-N 0 1 302.259 3.968 20 30 DHEDMN N#Cc1ccc(CN[C@H](C[C@@H]2CCOC2)c2ccccc2)c(F)c1 ZINC000179016092 1034280267 /nfs/dbraw/zinc/28/02/67/1034280267.db2.gz SJVJOPTYKNHCOA-OXJNMPFZSA-N 0 1 324.399 3.955 20 30 DHEDMN C#CCCCCC(=O)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000180454631 1034343920 /nfs/dbraw/zinc/34/39/20/1034343920.db2.gz QETJQJVBEMNANQ-MRXNPFEDSA-N 0 1 323.440 3.771 20 30 DHEDMN C=C(Cl)C[C@H]([NH2+]Cc1cc2cc(C)c(C)cc2o1)C(=O)[O-] ZINC000864519814 1034372144 /nfs/dbraw/zinc/37/21/44/1034372144.db2.gz ZUFPZRXNSGTPAE-AWEZNQCLSA-N 0 1 307.777 3.735 20 30 DHEDMN CN(C)Cc1cccc(C(=O)/C=C/c2cccc3c2OCC3)c1 ZINC000899377959 1034616987 /nfs/dbraw/zinc/61/69/87/1034616987.db2.gz KLAUBSYBJAHTJJ-MDZDMXLPSA-N 0 1 307.393 3.579 20 30 DHEDMN CSc1ccc(CNCc2cc(C#N)ccc2N(C)C)cc1 ZINC000865428860 1034642088 /nfs/dbraw/zinc/64/20/88/1034642088.db2.gz YBDOGQHDQUFSCY-UHFFFAOYSA-N 0 1 311.454 3.636 20 30 DHEDMN N#Cc1ccnc(CN2CCC[C@@H](c3ccc(F)c(F)c3)C2)c1 ZINC001174844315 1034642715 /nfs/dbraw/zinc/64/27/15/1034642715.db2.gz BRYHVIQZUFNGON-OAHLLOKOSA-N 0 1 313.351 3.611 20 30 DHEDMN CCOc1cc(F)cc(CNC2(c3cccc(C#N)c3)CC2)c1 ZINC000865506190 1034682016 /nfs/dbraw/zinc/68/20/16/1034682016.db2.gz NTDCDKNFPRHNPU-UHFFFAOYSA-N 0 1 310.372 3.875 20 30 DHEDMN CC(C)OC(=O)c1cccc(Nc2cc(C#N)c(F)cc2O)c1 ZINC001174917871 1034682786 /nfs/dbraw/zinc/68/27/86/1034682786.db2.gz OOSVBGINBZCUGY-UHFFFAOYSA-N 0 1 314.316 3.712 20 30 DHEDMN C=CC[C@@H](C)Sc1nc(-c2ccc(OC)cc2OC)n[nH]1 ZINC000882109613 1034744684 /nfs/dbraw/zinc/74/46/84/1034744684.db2.gz KQJWKKVADVMISB-SNVBAGLBSA-N 0 1 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N#C[C@H]1CC[C@H](NCc2cccc(Oc3ccc(F)cc3)n2)C1 ZINC000593661269 1039582143 /nfs/dbraw/zinc/58/21/43/1039582143.db2.gz VVXWUDFLTWTAQX-ZFWWWQNUSA-N 0 1 311.360 3.795 20 30 DHEDMN CC[C@H]1CN(Cc2cccc(OCCCC#N)c2)[C@@H](CC)CO1 ZINC000593662020 1039584589 /nfs/dbraw/zinc/58/45/89/1039584589.db2.gz WSNORXODEWXQSQ-ROUUACIJSA-N 0 1 316.445 3.759 20 30 DHEDMN C[C@@H]1CN(Cc2cccc(OCCCC#N)c2)C2(CCC2)CO1 ZINC000593680180 1039587696 /nfs/dbraw/zinc/58/76/96/1039587696.db2.gz SPLKTCIFCFJWDR-MRXNPFEDSA-N 0 1 314.429 3.513 20 30 DHEDMN COc1cc(C)ccc1CNCc1ccc(C2(C#N)CC2)cc1 ZINC000594930844 1039915874 /nfs/dbraw/zinc/91/58/74/1039915874.db2.gz AUHOQXWKWCWXEA-UHFFFAOYSA-N 0 1 306.409 3.849 20 30 DHEDMN Cn1nccc1-c1ccccc1CNCC1(C#N)CCCCC1 ZINC000594981645 1039993821 /nfs/dbraw/zinc/99/38/21/1039993821.db2.gz SFGCRSGGDQIOMJ-UHFFFAOYSA-N 0 1 308.429 3.651 20 30 DHEDMN CC(C)[C@@H](O)[C@@H](NCc1ccc(C#N)cc1F)c1ccccc1 ZINC000594990988 1040003742 /nfs/dbraw/zinc/00/37/42/1040003742.db2.gz WVDFPUCHNUMRMY-RBUKOAKNSA-N 0 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Cc1ccc(S(=O)(=O)Nc2cccc(C#N)c2C)c(Cl)c1 ZINC000179027488 333023279 /nfs/dbraw/zinc/02/32/79/333023279.db2.gz BILMQJRUHVOEKV-UHFFFAOYSA-N 0 1 320.801 3.629 20 30 DHEDMN C[C@@H](NCC(=O)Nc1ccc(C#N)cc1)c1cc2ccccc2o1 ZINC000181757664 333032135 /nfs/dbraw/zinc/03/21/35/333032135.db2.gz MAOHXRQYTUEWEI-CYBMUJFWSA-N 0 1 319.364 3.594 20 30 DHEDMN N#CC1(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CCCCC1 ZINC000179853167 333155711 /nfs/dbraw/zinc/15/57/11/333155711.db2.gz OSGOWQRTMHNXAG-UHFFFAOYSA-N 0 1 318.327 3.913 20 30 DHEDMN COC[C@@H](NCc1ccccc1C(C)(C)C#N)c1ccccc1 ZINC000181695255 333171536 /nfs/dbraw/zinc/17/15/36/333171536.db2.gz RHJCENLFONSCJG-LJQANCHMSA-N 0 1 308.425 3.965 20 30 DHEDMN CCc1nn(C)c(CC)c1CN[C@H](CCC#N)c1ccccc1 ZINC000182656239 333179521 /nfs/dbraw/zinc/17/95/21/333179521.db2.gz INBKRQDUBIOVLA-GOSISDBHSA-N 0 1 310.445 3.680 20 30 DHEDMN C=CCC1(C(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)CCC1 ZINC000582097322 333216345 /nfs/dbraw/zinc/21/63/45/333216345.db2.gz PSYIIADTWCXIKV-INIZCTEOSA-N 0 1 320.864 3.805 20 30 DHEDMN COc1ccc(Cl)cc1-c1n[nH]c(S[C@@H](C)CCC#N)n1 ZINC000188240393 333243795 /nfs/dbraw/zinc/24/37/95/333243795.db2.gz FCUMXUSHXQXZST-VIFPVBQESA-N 0 1 322.821 3.918 20 30 DHEDMN Cc1cccc(CNCc2ccc(C#N)cc2)c1Br ZINC000190317244 333270020 /nfs/dbraw/zinc/27/00/20/333270020.db2.gz FTNHXKSVUQSKGW-UHFFFAOYSA-N 0 1 315.214 3.919 20 30 DHEDMN C=CC1CCN([C@H](C)C(=O)Nc2ccc(SC)cc2)CC1 ZINC000111257531 333328295 /nfs/dbraw/zinc/32/82/95/333328295.db2.gz MBPGOQVYDRJSHV-CYBMUJFWSA-N 0 1 304.459 3.634 20 30 DHEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)C(C)(C)C ZINC000563080298 333345351 /nfs/dbraw/zinc/34/53/51/333345351.db2.gz CXLZVFNSNDBLFP-CYBMUJFWSA-N 0 1 319.474 3.750 20 30 DHEDMN C=CCC[C@@H](C(=O)Nc1ccc2[nH]nnc2c1)c1ccccc1 ZINC000188569994 333375396 /nfs/dbraw/zinc/37/53/96/333375396.db2.gz TZRNWTSLLILBJH-OAHLLOKOSA-N 0 1 306.369 3.646 20 30 DHEDMN COc1ccc(OC)c([C@H](C)N[C@@H](C)c2cccc(C#N)c2)c1 ZINC000124786773 333498714 /nfs/dbraw/zinc/49/87/14/333498714.db2.gz 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ZINC000344226477 335229994 /nfs/dbraw/zinc/22/99/94/335229994.db2.gz XUWMXNQYZXYDTP-SJCJKPOMSA-N 0 1 319.836 3.661 20 30 DHEDMN CCOc1cccc(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)c1 ZINC000345385462 335322120 /nfs/dbraw/zinc/32/21/20/335322120.db2.gz WITKSJLGXNCMFP-HNNXBMFYSA-N 0 1 319.364 3.760 20 30 DHEDMN C=CCC1(C(=O)Nc2cccc3c2OCC[C@@H]3N(C)C)CCC1 ZINC000345498299 335333169 /nfs/dbraw/zinc/33/31/69/335333169.db2.gz AINBDGRPZLAYNV-INIZCTEOSA-N 0 1 314.429 3.757 20 30 DHEDMN C=C[C@](C)(CC)C(=O)Nc1cccc2c1OCC[C@H]2N(C)C ZINC000345568416 335335206 /nfs/dbraw/zinc/33/52/06/335335206.db2.gz MVOMNYNHKGCBMK-CRAIPNDOSA-N 0 1 302.418 3.613 20 30 DHEDMN C[C@H](NCc1cnn(-c2ccccc2)c1)c1ccc(C#N)c(F)c1 ZINC000346149705 335382220 /nfs/dbraw/zinc/38/22/20/335382220.db2.gz YBDMKMXXWPXJHI-AWEZNQCLSA-N 0 1 320.371 3.734 20 30 DHEDMN CC(C)(C)CN(CCC#N)CCC(=O)Nc1cccc(Cl)c1 ZINC000346315756 335399287 /nfs/dbraw/zinc/39/92/87/335399287.db2.gz IPLOFUPLWAYDGE-UHFFFAOYSA-N 0 1 321.852 3.930 20 30 DHEDMN N#C[C@H]1CC[C@H](NCc2cc(F)c(C(F)(F)F)cc2F)C1 ZINC000348329343 335577922 /nfs/dbraw/zinc/57/79/22/335577922.db2.gz QSUZXRXEZHYBKC-WPRPVWTQSA-N 0 1 304.262 3.765 20 30 DHEDMN Cc1cnn([C@@H]2CCN(C([O-])=[NH+][C@@H]3CCC[C@H](C(C)C)C3)C2)c1 ZINC000329612788 336010117 /nfs/dbraw/zinc/01/01/17/336010117.db2.gz ONADPZLEQDIDSV-GVDBMIGSSA-N 0 1 318.465 3.567 20 30 DHEDMN CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000329618033 336010905 /nfs/dbraw/zinc/01/09/05/336010905.db2.gz QHRHLZYGSSOSNX-SNPRPXQTSA-N 0 1 324.856 3.666 20 30 DHEDMN C=CCc1cc(CNc2nccn2CC(C)C)cc(OC)c1O ZINC000351569519 336045849 /nfs/dbraw/zinc/04/58/49/336045849.db2.gz UNLBJBZCZVZQRG-UHFFFAOYSA-N 0 1 315.417 3.594 20 30 DHEDMN CCCN(Cc1ccc(C#N)cc1)Cc1cccc(OCC)n1 ZINC000351619787 336051164 /nfs/dbraw/zinc/05/11/64/336051164.db2.gz KNFWDYMYQUYKMU-UHFFFAOYSA-N 0 1 309.413 3.764 20 30 DHEDMN C=C(C)CCc1noc(-c2cc(-c3ccc(OC)cc3)n[nH]2)n1 ZINC000351641108 336054332 /nfs/dbraw/zinc/05/43/32/336054332.db2.gz MCOLYTCPMBXNRB-UHFFFAOYSA-N 0 1 310.357 3.644 20 30 DHEDMN C[C@@H]1CC[C@H]([NH+]=C([O-])N2CC[C@H](C)[C@H](n3ccnc3)C2)C[C@H]1C ZINC000329775250 336080523 /nfs/dbraw/zinc/08/05/23/336080523.db2.gz JDTNCHLCMAPXHM-BPKGMFCQSA-N 0 1 318.465 3.505 20 30 DHEDMN CC(C)[C@@H]1CCC[C@H]([NH+]=C([O-])N2CC[C@H](n3cccn3)C2)CC1 ZINC000329780720 336081024 /nfs/dbraw/zinc/08/10/24/336081024.db2.gz SBNMPDVYEPUDTM-IKGGRYGDSA-N 0 1 318.465 3.649 20 30 DHEDMN Cc1cnn([C@@H]2CCCN(C([O-])=[NH+][C@@H]3CC[C@H](C)[C@@H](C)C3)C2)c1 ZINC000329801107 336083663 /nfs/dbraw/zinc/08/36/63/336083663.db2.gz YOXZYKLXWZNRNW-MWDXBVQZSA-N 0 1 318.465 3.567 20 30 DHEDMN [O-]C(NC[C@@H]1CCc2ccccc21)=[NH+][C@H]1CCc2c1cccc2O ZINC000329806912 336084135 /nfs/dbraw/zinc/08/41/35/336084135.db2.gz OGYTZVWOVIWOAI-KSSFIOAISA-N 0 1 322.408 3.613 20 30 DHEDMN [O-]C(N[C@H]1CCc2c1cccc2O)=[NH+]C[C@@H]1CCc2ccccc21 ZINC000329806912 336084137 /nfs/dbraw/zinc/08/41/37/336084137.db2.gz OGYTZVWOVIWOAI-KSSFIOAISA-N 0 1 322.408 3.613 20 30 DHEDMN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)[C@@H]1CCCN1C1CC1 ZINC000330209690 336124607 /nfs/dbraw/zinc/12/46/07/336124607.db2.gz BWMOHAWXXBASBO-LRDDRELGSA-N 0 1 318.465 3.591 20 30 DHEDMN CCn1c2ccc(C)cc2nc1NC(=O)[C@H]1CCCN1C1CC1 ZINC000330223104 336126301 /nfs/dbraw/zinc/12/63/01/336126301.db2.gz MWHNSQPPSGKMTB-MRXNPFEDSA-N 0 1 312.417 3.579 20 30 DHEDMN CNC(=O)[C@@H]1CCC[C@H]1NCc1csc(C2CCCC2)n1 ZINC000330252688 336130075 /nfs/dbraw/zinc/13/00/75/336130075.db2.gz OMOOTBWEWAMVDN-ZIAGYGMSSA-N 0 1 307.463 3.645 20 30 DHEDMN N#CC1(F)CCN(CCn2ccc3cc(Cl)ccc32)CC1 ZINC000352108814 336195176 /nfs/dbraw/zinc/19/51/76/336195176.db2.gz ZSTGLKPELJTJIP-UHFFFAOYSA-N 0 1 305.784 3.622 20 30 DHEDMN CC[C@H](CSc1ccccc1)NCc1nc(C#N)cs1 ZINC000352794002 336237110 /nfs/dbraw/zinc/23/71/10/336237110.db2.gz HAAKAJITVJPNQB-GFCCVEGCSA-N 0 1 303.456 3.675 20 30 DHEDMN C=C(C)CN(Cc1ccc(CO)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000352806334 336242282 /nfs/dbraw/zinc/24/22/82/336242282.db2.gz UQTMGBDWSPWPIH-OAHLLOKOSA-N 0 1 310.397 3.783 20 30 DHEDMN C=C[C@@](C)(CC)C(=O)Nc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000526950619 336275843 /nfs/dbraw/zinc/27/58/43/336275843.db2.gz GTRFYCYTQLHNSW-HNNXBMFYSA-N 0 1 304.781 3.666 20 30 DHEDMN C=CCN(CCc1ccco1)Cc1cccc(OC)c1OC ZINC000352995810 336381451 /nfs/dbraw/zinc/38/14/51/336381451.db2.gz NXMXXDYRJBZBJJ-UHFFFAOYSA-N 0 1 301.386 3.528 20 30 DHEDMN N#CCCCOc1cccc(CNCc2cc(F)ccc2F)c1 ZINC000105496157 336387650 /nfs/dbraw/zinc/38/76/50/336387650.db2.gz KMGFRHOQTZCOQW-UHFFFAOYSA-N 0 1 316.351 3.937 20 30 DHEDMN CO[C@@H](c1ccccc1Cl)[C@H](C)NCc1ccc(C#N)o1 ZINC000353160982 336405170 /nfs/dbraw/zinc/40/51/70/336405170.db2.gz AKCBOCKQNBNZOO-MEDUHNTESA-N 0 1 304.777 3.670 20 30 DHEDMN C=CCC[C@H](N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccco1 ZINC000353498687 336420789 /nfs/dbraw/zinc/42/07/89/336420789.db2.gz AYDKCZFYRNBYQU-WBVHZDCISA-N 0 1 310.397 3.682 20 30 DHEDMN C=CCCC1(C(=O)NC[C@H](c2ccco2)N2CCCCC2)CC1 ZINC000353532438 336423036 /nfs/dbraw/zinc/42/30/36/336423036.db2.gz HKTBFUJZPCEKFP-MRXNPFEDSA-N 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WWDLZGGAAODHHK-ZNOIYHFQSA-N 0 1 320.392 3.610 20 30 DHEDMN N#C[C@H](c1ccccc1)[C@H]1CCCN1CC[C@@H](O)c1ccccc1 ZINC000377132216 337047434 /nfs/dbraw/zinc/04/74/34/337047434.db2.gz XCQFYJZSJWGAME-NJDAHSKKSA-N 0 1 320.436 3.882 20 30 DHEDMN CC(C)[C@@H](CO)N(Cc1ccccc1)Cc1ccccc1C#N ZINC000172352553 337106631 /nfs/dbraw/zinc/10/66/31/337106631.db2.gz ZKIIAAKDSVCKPL-HXUWFJFHSA-N 0 1 308.425 3.577 20 30 DHEDMN N#CCC[C@@H](C#N)CNCC1(c2ccc(F)cc2F)CCCC1 ZINC000582641430 337114048 /nfs/dbraw/zinc/11/40/48/337114048.db2.gz AYLYZUZNZWVUKM-AWEZNQCLSA-N 0 1 317.383 3.810 20 30 DHEDMN C=CCCCCCN(C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173787676 337137489 /nfs/dbraw/zinc/13/74/89/337137489.db2.gz MAPXFSCWTAPRRT-UHFFFAOYSA-N 0 1 310.401 3.786 20 30 DHEDMN Cc1nc(C(C)(C)NCCOc2cccc(C#N)c2)sc1C ZINC000173953699 337137831 /nfs/dbraw/zinc/13/78/31/337137831.db2.gz ABDVMOIZUQYCBS-UHFFFAOYSA-N 0 1 315.442 3.535 20 30 DHEDMN C=C(C)C[C@H](C)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000185219638 337203465 /nfs/dbraw/zinc/20/34/65/337203465.db2.gz BPPICFAMSMLTHA-HNNXBMFYSA-N 0 1 318.436 3.509 20 30 DHEDMN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1cccc2c1OCO2 ZINC000582947910 337221106 /nfs/dbraw/zinc/22/11/06/337221106.db2.gz NHIAIIMHSOFMOM-GOSISDBHSA-N 0 1 320.392 3.844 20 30 DHEDMN CC[C@H]1[C@@H](C)CC[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000185589980 337249344 /nfs/dbraw/zinc/24/93/44/337249344.db2.gz GBEBMDCRWLQETF-YJBOKZPZSA-N 0 1 323.440 3.858 20 30 DHEDMN N#CC(C(=O)c1nccc2ccccc21)c1cnc2ccccc2n1 ZINC000190933085 337291516 /nfs/dbraw/zinc/29/15/16/337291516.db2.gz UUOYXURXSOVQKA-OAHLLOKOSA-N 0 1 324.343 3.668 20 30 DHEDMN Cc1cc(F)cc(C(=O)C(C#N)c2cnc3ccccc3n2)c1 ZINC000190949278 337291642 /nfs/dbraw/zinc/29/16/42/337291642.db2.gz QLPFMRGJTHJDLA-CQSZACIVSA-N 0 1 305.312 3.567 20 30 DHEDMN Cc1cc(F)cc(C(=O)[C@H](C#N)c2cnc3ccccc3n2)c1 ZINC000190949278 337291643 /nfs/dbraw/zinc/29/16/43/337291643.db2.gz QLPFMRGJTHJDLA-CQSZACIVSA-N 0 1 305.312 3.567 20 30 DHEDMN Cc1nc2c(s1)[C@@H](N(C)Cc1ccc(C#N)c(F)c1)CCC2 ZINC000192104593 337303041 /nfs/dbraw/zinc/30/30/41/337303041.db2.gz CLJJKMMYTIGUMR-INIZCTEOSA-N 0 1 315.417 3.972 20 30 DHEDMN CC[C@H](c1ccccc1)N(CC)CC(=O)Nc1ccc(C#N)cc1 ZINC000532935114 337394093 /nfs/dbraw/zinc/39/40/93/337394093.db2.gz PUUZGGTZFBHAFS-LJQANCHMSA-N 0 1 321.424 3.970 20 30 DHEDMN C[C@@H](NCc1ccc(Br)o1)c1ccc(C#N)cc1 ZINC000037508433 337395660 /nfs/dbraw/zinc/39/56/60/337395660.db2.gz NRYZQSQWUXLKMR-SNVBAGLBSA-N 0 1 305.175 3.765 20 30 DHEDMN N#Cc1ccc(CNCc2csc(Br)c2)cc1 ZINC000037505840 337395718 /nfs/dbraw/zinc/39/57/18/337395718.db2.gz VMNQUTTVTRJAIA-UHFFFAOYSA-N 0 1 307.216 3.672 20 30 DHEDMN CCCCCn1cc(CNCc2ccc(C#N)c(F)c2)c(C)n1 ZINC000421346501 337527788 /nfs/dbraw/zinc/52/77/88/337527788.db2.gz ZAQOOQNNXMSDRO-UHFFFAOYSA-N 0 1 314.408 3.682 20 30 DHEDMN C=CCOc1cccc(CN[C@H](CCOC)c2ccco2)c1 ZINC000272635535 337649431 /nfs/dbraw/zinc/64/94/31/337649431.db2.gz YLHMTFGRTOOVSF-QGZVFWFLSA-N 0 1 301.386 3.712 20 30 DHEDMN C#CC[C@@H](NCc1ccc(N(C)C(C)C)nc1)c1ccccc1 ZINC000276584218 337665380 /nfs/dbraw/zinc/66/53/80/337665380.db2.gz CBDUVWINELDRBX-LJQANCHMSA-N 0 1 307.441 3.780 20 30 DHEDMN N#C[C@H]1CC[C@H](NCc2ccc(Br)c(F)c2F)C1 ZINC000527690037 337759994 /nfs/dbraw/zinc/75/99/94/337759994.db2.gz AZMSNHDEAMCMAD-WPRPVWTQSA-N 0 1 315.161 3.509 20 30 DHEDMN C=CC1CCN([C@@H](C)C(=O)Nc2ccc(Cl)cc2C)CC1 ZINC000532965943 337804645 /nfs/dbraw/zinc/80/46/45/337804645.db2.gz LXBIBOHDXMSTFA-ZDUSSCGKSA-N 0 1 306.837 3.873 20 30 DHEDMN C=CCn1cc(CN[C@H](c2ccccc2C)C2CCCC2)nn1 ZINC000424298115 337817216 /nfs/dbraw/zinc/81/72/16/337817216.db2.gz SAEFSCPMQWKUCB-IBGZPJMESA-N 0 1 310.445 3.794 20 30 DHEDMN C[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)c1ccncc1 ZINC000090180614 337878528 /nfs/dbraw/zinc/87/85/28/337878528.db2.gz DBPZMFYYGDGWTB-ZDUSSCGKSA-N 0 1 304.315 3.803 20 30 DHEDMN C=CCN(Cc1ccc(Cl)s1)Cc1n[nH]c(C(C)C)n1 ZINC000428454468 338052536 /nfs/dbraw/zinc/05/25/36/338052536.db2.gz BBXOHUKHTBDIIN-UHFFFAOYSA-N 0 1 310.854 3.831 20 30 DHEDMN N#Cc1ccc(N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)cn1 ZINC000428708064 338059007 /nfs/dbraw/zinc/05/90/07/338059007.db2.gz LUHRVSQRZNUUSN-MRXNPFEDSA-N 0 1 323.787 3.824 20 30 DHEDMN Cc1cccc(CN(C)[C@H](C)C(=O)Nc2cccc(C#N)c2)c1C ZINC000428713853 338059253 /nfs/dbraw/zinc/05/92/53/338059253.db2.gz XNAKBWAQSDSDQD-MRXNPFEDSA-N 0 1 321.424 3.634 20 30 DHEDMN COc1ccccc1C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430641559 338110268 /nfs/dbraw/zinc/11/02/68/338110268.db2.gz IYIXYSFBFTUMOK-GFCCVEGCSA-N 0 1 314.410 3.939 20 30 DHEDMN COc1ccccc1C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 ZINC000430641559 338110269 /nfs/dbraw/zinc/11/02/69/338110269.db2.gz IYIXYSFBFTUMOK-GFCCVEGCSA-N 0 1 314.410 3.939 20 30 DHEDMN CN(CCC(=O)Nc1cccc2ccccc21)CC(C)(C)C#N ZINC000433316226 338192047 /nfs/dbraw/zinc/19/20/47/338192047.db2.gz HGSZMYMYOPSNLZ-UHFFFAOYSA-N 0 1 309.413 3.650 20 30 DHEDMN OCC1([C@H](NCC#Cc2ccc(F)cc2)c2ccccc2)CCC1 ZINC000433319140 338192131 /nfs/dbraw/zinc/19/21/31/338192131.db2.gz IJVUEUVAKXEVFI-HXUWFJFHSA-N 0 1 323.411 3.671 20 30 DHEDMN CC(C)(C)CN(CCC#N)C(=O)C(C#N)CCc1ccccc1 ZINC000433356549 338193664 /nfs/dbraw/zinc/19/36/64/338193664.db2.gz SKYSUAYUKWISRU-KRWDZBQOSA-N 0 1 311.429 3.547 20 30 DHEDMN CC(C)(C)CN(CCC#N)C(=O)C(C#N)CCc1ccccc1 ZINC000433356551 338193762 /nfs/dbraw/zinc/19/37/62/338193762.db2.gz SKYSUAYUKWISRU-QGZVFWFLSA-N 0 1 311.429 3.547 20 30 DHEDMN N#C[C@H](CCc1ccccc1)C(=O)Nc1cccc(Cl)c1O ZINC000433364086 338193927 /nfs/dbraw/zinc/19/39/27/338193927.db2.gz MQYFDQQSFUIGHO-ZDUSSCGKSA-N 0 1 314.772 3.757 20 30 DHEDMN C=C(C)[C@@H]1OCC[C@@H]1CNc1ccnc2cc(F)c(OC)cc21 ZINC000435588291 338242935 /nfs/dbraw/zinc/24/29/35/338242935.db2.gz LKBOFQGTLDNWKR-XIKOKIGWSA-N 0 1 316.376 3.776 20 30 DHEDMN N#CCn1c(/C=C/c2cc(F)c(O)c(F)c2)nc2ccccc21 ZINC000436930530 338294042 /nfs/dbraw/zinc/29/40/42/338294042.db2.gz HEHOUNYPNPIHMN-AATRIKPKSA-N 0 1 311.291 3.714 20 30 DHEDMN CN(CC(C)(C)C#N)C(=O)c1cc(Cl)c2ccccc2c1O ZINC000436986444 338296715 /nfs/dbraw/zinc/29/67/15/338296715.db2.gz FZZNXRBHWITGBL-UHFFFAOYSA-N 0 1 316.788 3.821 20 30 DHEDMN CCC1(CC)CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000438509554 338346524 /nfs/dbraw/zinc/34/65/24/338346524.db2.gz PGXLCOAGYTVJAP-UHFFFAOYSA-N 0 1 319.836 3.662 20 30 DHEDMN CCC1(CC)CCN(CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000438509554 338346525 /nfs/dbraw/zinc/34/65/25/338346525.db2.gz PGXLCOAGYTVJAP-UHFFFAOYSA-N 0 1 319.836 3.662 20 30 DHEDMN Cc1nc2c(cccc2C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)o1 ZINC000439025590 338358838 /nfs/dbraw/zinc/35/88/38/338358838.db2.gz XNEBVTZTJXHDAG-GFCCVEGCSA-N 0 1 316.320 3.503 20 30 DHEDMN Cc1nc2c(cccc2C(=O)C(C#N)c2nc3ccccc3[nH]2)o1 ZINC000439025590 338358839 /nfs/dbraw/zinc/35/88/39/338358839.db2.gz XNEBVTZTJXHDAG-GFCCVEGCSA-N 0 1 316.320 3.503 20 30 DHEDMN C=C[C@@H]1OCC[C@H]1NCc1csc(-c2ccc(Cl)cc2)n1 ZINC000449523813 338634279 /nfs/dbraw/zinc/63/42/79/338634279.db2.gz YRNRNRCAJDPQEO-CABCVRRESA-N 0 1 320.845 3.897 20 30 DHEDMN C=CC1CCN(Cc2nc3ccc(Br)cc3o2)CC1 ZINC000463086127 339105254 /nfs/dbraw/zinc/10/52/54/339105254.db2.gz NOYXYYNVYCIHAV-UHFFFAOYSA-N 0 1 321.218 3.988 20 30 DHEDMN C=C(C)CN(CC)C(=O)CN1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000464725044 339150159 /nfs/dbraw/zinc/15/01/59/339150159.db2.gz LIFCPCDQWBNRGK-MAUKXSAKSA-N 0 1 318.436 3.633 20 30 DHEDMN C=CCCN(C)[C@@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000467288106 339230008 /nfs/dbraw/zinc/23/00/08/339230008.db2.gz GAVMDPJKPUXHSR-AWEZNQCLSA-N 0 1 321.490 3.705 20 30 DHEDMN C=CCN1C(=O)N=NC1SCCc1ccc2ccccc2c1 ZINC000470819969 339328858 /nfs/dbraw/zinc/32/88/58/339328858.db2.gz AUBIBZJRUNIXGH-UHFFFAOYSA-N 0 1 311.410 3.658 20 30 DHEDMN C=CCC[C@H](O)CN(CC)Cc1ccccc1Br ZINC000472783841 339377568 /nfs/dbraw/zinc/37/75/68/339377568.db2.gz DUYOUWVJMLNRGD-AWEZNQCLSA-N 0 1 312.251 3.598 20 30 DHEDMN C[C@H](NCC#Cc1ccccc1)c1ccccc1OC(F)F ZINC000484062878 339680369 /nfs/dbraw/zinc/68/03/69/339680369.db2.gz CURRDXIVGNVLIC-AWEZNQCLSA-N 0 1 301.336 3.990 20 30 DHEDMN Cc1cc(CN2CCC(c3noc(C(C)C)n3)CC2)ccc1C#N ZINC000487867592 339764597 /nfs/dbraw/zinc/76/45/97/339764597.db2.gz CXPZBDHMSAEQEJ-UHFFFAOYSA-N 0 1 324.428 3.753 20 30 DHEDMN N#Cc1ccccc1-c1ccc(CN2CCOC3(CCC3)C2)cc1 ZINC000499246958 340033264 /nfs/dbraw/zinc/03/32/64/340033264.db2.gz HBDIORPYSFOINK-UHFFFAOYSA-N 0 1 318.420 3.980 20 30 DHEDMN Cc1cccc2nc([C@@H](C#N)C(=O)Nc3cccc(Cl)c3)[nH]c21 ZINC000505449536 340168734 /nfs/dbraw/zinc/16/87/34/340168734.db2.gz QLNVZDOKLMBJRD-CYBMUJFWSA-N 0 1 324.771 3.771 20 30 DHEDMN C[C@@H](c1ccccc1)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000507180676 340211462 /nfs/dbraw/zinc/21/14/62/340211462.db2.gz OPQJKLMWMKPFLG-HNNXBMFYSA-N 0 1 309.388 3.581 20 30 DHEDMN Cc1ccc(-c2noc([C@@H](C)NCCCCC#N)n2)cc1F ZINC000507548200 340224886 /nfs/dbraw/zinc/22/48/86/340224886.db2.gz JSBADZRFZLHIPD-GFCCVEGCSA-N 0 1 302.353 3.529 20 30 DHEDMN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccccc1Oc1ccccc1 ZINC000507857180 340234314 /nfs/dbraw/zinc/23/43/14/340234314.db2.gz VFFJEBPDWPNIPQ-JKSUJKDBSA-N 0 1 324.424 3.820 20 30 DHEDMN C=CCNC(=O)[C@H](C)N[C@H](C)c1ccccc1Oc1ccccc1 ZINC000507857177 340234316 /nfs/dbraw/zinc/23/43/16/340234316.db2.gz VFFJEBPDWPNIPQ-CVEARBPZSA-N 0 1 324.424 3.820 20 30 DHEDMN C=C(C)CN(CCO[C@@H]1CCCC[C@H]1C)Cc1ccc(CO)o1 ZINC000512197534 340351930 /nfs/dbraw/zinc/35/19/30/340351930.db2.gz RAVDCQJPVQMGNY-VQIMIIECSA-N 0 1 321.461 3.745 20 30 DHEDMN C=C(C)CN(CC)C(=O)CN([C@H](C)c1ccccc1)C1CC1 ZINC000512246867 340354075 /nfs/dbraw/zinc/35/40/75/340354075.db2.gz VOZYOGVHLYJDFI-MRXNPFEDSA-N 0 1 300.446 3.637 20 30 DHEDMN C[C@H](N[C@@H](C)c1ccc(C#N)cc1F)c1ccc2c(c1)OCO2 ZINC000512289618 340355705 /nfs/dbraw/zinc/35/57/05/340355705.db2.gz UFNNGSYVURDKES-RYUDHWBXSA-N 0 1 312.344 3.838 20 30 DHEDMN COC[C@H](NCc1ccc(F)c(C#N)c1)c1cccc(Cl)c1 ZINC000521891829 340538388 /nfs/dbraw/zinc/53/83/88/340538388.db2.gz GWAZRZYGCISSMC-KRWDZBQOSA-N 0 1 318.779 3.828 20 30 DHEDMN Cn1cc(CN[C@@H](c2ccccc2)c2cccc(F)c2)cc1C#N ZINC000191310317 340552599 /nfs/dbraw/zinc/55/25/99/340552599.db2.gz AKHYSXHWLVGDHF-FQEVSTJZSA-N 0 1 319.383 3.915 20 30 DHEDMN C=CC1CCN(Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000523607623 340629839 /nfs/dbraw/zinc/62/98/39/340629839.db2.gz MTWCBMWXWFZVCC-UHFFFAOYSA-N 0 1 307.821 3.899 20 30 DHEDMN C[C@@H](NCC#Cc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000540378444 340928855 /nfs/dbraw/zinc/92/88/55/340928855.db2.gz BBEFREWSQXZKMM-CYBMUJFWSA-N 0 1 314.772 3.951 20 30 DHEDMN COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000542317993 341004523 /nfs/dbraw/zinc/00/45/23/341004523.db2.gz PKNMMZSUICZTQF-GOSISDBHSA-N 0 1 306.409 3.865 20 30 DHEDMN N#CCC1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000543808071 341060052 /nfs/dbraw/zinc/06/00/52/341060052.db2.gz WZXBYEUCLUFMBY-UHFFFAOYSA-N 0 1 322.330 3.562 20 30 DHEDMN Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3ccc(C(C)C)s3)nc21 ZINC000544860494 341096771 /nfs/dbraw/zinc/09/67/71/341096771.db2.gz FUGOABPUFFCTPN-NSHDSACASA-N 0 1 324.409 3.941 20 30 DHEDMN N#CCSCCCSc1nnc(CCC2CCCC2)[nH]1 ZINC000075076100 341163208 /nfs/dbraw/zinc/16/32/08/341163208.db2.gz QFFLTOSNNKGFSX-UHFFFAOYSA-N 0 1 310.492 3.666 20 30 DHEDMN N#CCSCCCSc1nc(CCC2CCCC2)n[nH]1 ZINC000075076100 341163209 /nfs/dbraw/zinc/16/32/09/341163209.db2.gz QFFLTOSNNKGFSX-UHFFFAOYSA-N 0 1 310.492 3.666 20 30 DHEDMN C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1(C)C ZINC000546973578 341189352 /nfs/dbraw/zinc/18/93/52/341189352.db2.gz YPZZCZKUACKEBW-HNNXBMFYSA-N 0 1 322.456 3.827 20 30 DHEDMN C=CCC(CC=C)C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000134071434 341205768 /nfs/dbraw/zinc/20/57/68/341205768.db2.gz VBDREAZIWBUKAE-UHFFFAOYSA-N 0 1 316.792 3.832 20 30 DHEDMN C=CCCCN(C)[C@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000076734187 341213118 /nfs/dbraw/zinc/21/31/18/341213118.db2.gz LEPNYCXUESCZIR-GFCCVEGCSA-N 0 1 310.825 3.574 20 30 DHEDMN C[C@H](NCc1ccc(C#N)o1)c1ccc(Br)cc1 ZINC000135124852 341231762 /nfs/dbraw/zinc/23/17/62/341231762.db2.gz NDAFWKYBBHPXMC-JTQLQIEISA-N 0 1 305.175 3.765 20 30 DHEDMN CC[C@H](C#N)Sc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000548033516 341243922 /nfs/dbraw/zinc/24/39/22/341243922.db2.gz XWTVKAZEGARISO-SNVBAGLBSA-N 0 1 323.219 3.628 20 30 DHEDMN C=CCSCCNCc1c(F)cccc1OC(F)(F)F ZINC000551535909 341344599 /nfs/dbraw/zinc/34/45/99/341344599.db2.gz BPJMHAXZWMTDMY-UHFFFAOYSA-N 0 1 309.328 3.733 20 30 DHEDMN C[C@H](c1ccc(C#N)cc1)N1CCO[C@](C)(c2ccccc2)C1 ZINC000246567733 341353760 /nfs/dbraw/zinc/35/37/60/341353760.db2.gz RRDSTJZACLFKGI-UZLBHIALSA-N 0 1 306.409 3.867 20 30 DHEDMN N#CCCC1CCN(Cc2ccc(Oc3ccccc3)nn2)CC1 ZINC000566172061 341549873 /nfs/dbraw/zinc/54/98/73/341549873.db2.gz AFPHULDUTADMJO-UHFFFAOYSA-N 0 1 322.412 3.785 20 30 DHEDMN COCCOc1cc(C)ccc1CN[C@H](C)c1cccc(C#N)c1 ZINC000181880807 524039141 /nfs/dbraw/zinc/03/91/41/524039141.db2.gz AQFKHIKNOQRTJH-MRXNPFEDSA-N 0 1 324.424 3.743 20 30 DHEDMN C[C@@H](NCc1ccc(OCC2CC2)nc1)c1cccc(C#N)c1 ZINC000181639226 525527911 /nfs/dbraw/zinc/52/79/11/525527911.db2.gz XPOZJWSPGGERDP-CQSZACIVSA-N 0 1 307.397 3.593 20 30 DHEDMN C[C@H](c1cccc(C#N)c1)N1CC=C(c2cncc(F)c2)CC1 ZINC000364794942 526073142 /nfs/dbraw/zinc/07/31/42/526073142.db2.gz SZWUORZNRPWQFF-CQSZACIVSA-N 0 1 307.372 3.943 20 30 DHEDMN N#Cc1ccccc1CN[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000182113762 526737049 /nfs/dbraw/zinc/73/70/49/526737049.db2.gz WIDAPWKVTOKCQR-ROUUACIJSA-N 0 1 312.800 3.831 20 30 DHEDMN C=C(C)C[N@@H+](CC)Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000563542809 600504935 /nfs/dbraw/zinc/50/49/35/600504935.db2.gz KLNUYQRRUVWXKN-UHFFFAOYSA-N 0 1 316.426 3.906 20 30 DHEDMN C=C(C)C[N@H+](CC)Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000563542809 600504936 /nfs/dbraw/zinc/50/49/36/600504936.db2.gz KLNUYQRRUVWXKN-UHFFFAOYSA-N 0 1 316.426 3.906 20 30 DHEDMN CC[N@@H+](Cc1ccsc1C(=O)[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000829734917 601807780 /nfs/dbraw/zinc/80/77/80/601807780.db2.gz UOTNLNBDKSQDJN-GFCCVEGCSA-N 0 1 314.410 3.901 20 30 DHEDMN C=CC[N@@H+](Cc1ccsc1C(=O)[O-])Cc1ccc(OC)cc1 ZINC000825682319 601808572 /nfs/dbraw/zinc/80/85/72/601808572.db2.gz XICFOAQFAFOTKG-UHFFFAOYSA-N 0 1 317.410 3.643 20 30 DHEDMN C=CC[N@@H+](Cc1ccc(C(=O)[O-])s1)Cc1ccc(OC)cc1 ZINC000825681900 601943201 /nfs/dbraw/zinc/94/32/01/601943201.db2.gz LNBSJZKRMBOURJ-UHFFFAOYSA-N 0 1 317.410 3.643 20 30 DHEDMN C=CCOc1ccc(C[N@@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000833377641 605547878 /nfs/dbraw/zinc/54/78/78/605547878.db2.gz GWSBEDVGZAMKKX-MRXNPFEDSA-N 0 1 317.429 3.574 20 30 DHEDMN