smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](N[C@@H](C)c1ccccc1Cl)c1ccc(C#N)cc1 ZINC000020124028 171005936 /nfs/dbraw/zinc/00/59/36/171005936.db2.gz ZUSZCFRFVJHCFK-OLZOCXBDSA-N 0 1 284.790 4.623 20 30 CJEDMN C[C@H](N[C@@H](C)c1ccccc1Cl)c1ccc(C#N)cc1 ZINC000020124029 171005339 /nfs/dbraw/zinc/00/53/39/171005339.db2.gz ZUSZCFRFVJHCFK-STQMWFEESA-N 0 1 284.790 4.623 20 30 CJEDMN C[C@@H](N[C@H](C)c1ccccc1Cl)c1ccc(C#N)cc1 ZINC000020124030 171005577 /nfs/dbraw/zinc/00/55/77/171005577.db2.gz ZUSZCFRFVJHCFK-CHWSQXEVSA-N 0 1 284.790 4.623 20 30 CJEDMN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1Cl ZINC000020124031 171005473 /nfs/dbraw/zinc/00/54/73/171005473.db2.gz ZUSZCFRFVJHCFK-QWHCGFSZSA-N 0 1 284.790 4.623 20 30 CJEDMN C[C@H](N[C@@H](C)c1ccccc1Cl)c1cccc(C#N)c1 ZINC000037219175 333515950 /nfs/dbraw/zinc/51/59/50/333515950.db2.gz ARMKKGPWYPFSQI-STQMWFEESA-N 0 1 284.790 4.623 20 30 CJEDMN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccccc1Cl ZINC000037219177 333516119 /nfs/dbraw/zinc/51/61/19/333516119.db2.gz ARMKKGPWYPFSQI-QWHCGFSZSA-N 0 1 284.790 4.623 20 30 CJEDMN C[C@H](NCCC(C)(C)C#N)c1ccc(Cl)cc1Cl ZINC000087590996 326942421 /nfs/dbraw/zinc/94/24/21/326942421.db2.gz GBYPXCMGYOFBEG-JTQLQIEISA-N 0 1 285.218 4.584 20 30 CJEDMN C=CCC[C@H](N[C@@H](C)c1nccs1)c1ccccc1 ZINC000090580772 330393729 /nfs/dbraw/zinc/39/37/29/330393729.db2.gz OQBPZLFNXDGHCM-ZFWWWQNUSA-N 0 1 272.417 4.501 20 30 CJEDMN C=CCC[C@H](N[C@H](C)c1nccs1)c1ccccc1 ZINC000090580780 330393737 /nfs/dbraw/zinc/39/37/37/330393737.db2.gz OQBPZLFNXDGHCM-HIFRSBDPSA-N 0 1 272.417 4.501 20 30 CJEDMN C=CCC[C@@H](N[C@@H](C)c1nccs1)c1ccccc1 ZINC000090580782 330393760 /nfs/dbraw/zinc/39/37/60/330393760.db2.gz OQBPZLFNXDGHCM-DZGCQCFKSA-N 0 1 272.417 4.501 20 30 CJEDMN C=CCC[C@@H](N[C@H](C)c1nccs1)c1ccccc1 ZINC000090580783 330393785 /nfs/dbraw/zinc/39/37/85/330393785.db2.gz OQBPZLFNXDGHCM-UKRRQHHQSA-N 0 1 272.417 4.501 20 30 CJEDMN Cc1cc(C)cc([C@@H](C)N[C@@H](CCC#N)c2ccccc2)c1 ZINC000090664523 330394400 /nfs/dbraw/zinc/39/44/00/330394400.db2.gz SPAKQIYXTDRVOV-XLIONFOSSA-N 0 1 292.426 4.999 20 30 CJEDMN Cc1cc(C)cc([C@H](C)N[C@@H](CCC#N)c2ccccc2)c1 ZINC000090664525 330394415 /nfs/dbraw/zinc/39/44/15/330394415.db2.gz SPAKQIYXTDRVOV-PXNSSMCTSA-N 0 1 292.426 4.999 20 30 CJEDMN Cc1cc(C)cc([C@@H](C)N[C@H](CCC#N)c2ccccc2)c1 ZINC000090664526 330394491 /nfs/dbraw/zinc/39/44/91/330394491.db2.gz SPAKQIYXTDRVOV-YLJYHZDGSA-N 0 1 292.426 4.999 20 30 CJEDMN Cc1cc(C)cc([C@H](C)N[C@H](CCC#N)c2ccccc2)c1 ZINC000090664528 330394524 /nfs/dbraw/zinc/39/45/24/330394524.db2.gz SPAKQIYXTDRVOV-FXAWDEMLSA-N 0 1 292.426 4.999 20 30 CJEDMN Cc1ccc([C@H](C)N[C@@H](CCC#N)c2ccccc2)cc1 ZINC000090665172 260465168 /nfs/dbraw/zinc/46/51/68/260465168.db2.gz ITAQOKRVJZYRTQ-LPHOPBHVSA-N 0 1 278.399 4.691 20 30 CJEDMN C[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(F)cc1 ZINC000090665373 260465304 /nfs/dbraw/zinc/46/53/04/260465304.db2.gz WPJFZAIVUXMLMA-KSSFIOAISA-N 0 1 282.362 4.521 20 30 CJEDMN CCc1ccc([C@@H](C)N[C@@H](CCC#N)c2ccccc2)cc1 ZINC000090665569 330394596 /nfs/dbraw/zinc/39/45/96/330394596.db2.gz PFNQOKUKKSXMIU-UZLBHIALSA-N 0 1 292.426 4.945 20 30 CJEDMN CCc1ccc([C@H](C)N[C@@H](CCC#N)c2ccccc2)cc1 ZINC000090665570 330394609 /nfs/dbraw/zinc/39/46/09/330394609.db2.gz PFNQOKUKKSXMIU-JXFKEZNVSA-N 0 1 292.426 4.945 20 30 CJEDMN CCc1ccc([C@@H](C)N[C@H](CCC#N)c2ccccc2)cc1 ZINC000090665571 330394555 /nfs/dbraw/zinc/39/45/55/330394555.db2.gz PFNQOKUKKSXMIU-OXQOHEQNSA-N 0 1 292.426 4.945 20 30 CJEDMN CCc1ccc([C@H](C)N[C@H](CCC#N)c2ccccc2)cc1 ZINC000090665572 330394590 /nfs/dbraw/zinc/39/45/90/330394590.db2.gz PFNQOKUKKSXMIU-OXJNMPFZSA-N 0 1 292.426 4.945 20 30 CJEDMN Cc1cccc([C@@H](C)N[C@H](CCC#N)c2ccccc2)c1 ZINC000090665607 260465400 /nfs/dbraw/zinc/46/54/00/260465400.db2.gz WVHYFVOLVSZWJI-VQIMIIECSA-N 0 1 278.399 4.691 20 30 CJEDMN CC[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(F)cc1 ZINC000090665701 330394628 /nfs/dbraw/zinc/39/46/28/330394628.db2.gz OUZRFMAIJYYTMH-OALUTQOASA-N 0 1 296.389 4.911 20 30 CJEDMN CC[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(F)cc1 ZINC000090665702 330394620 /nfs/dbraw/zinc/39/46/20/330394620.db2.gz OUZRFMAIJYYTMH-MOPGFXCFSA-N 0 1 296.389 4.911 20 30 CJEDMN CC[C@H](N[C@H](CCC#N)c1ccccc1)c1ccc(F)cc1 ZINC000090665703 330394632 /nfs/dbraw/zinc/39/46/32/330394632.db2.gz OUZRFMAIJYYTMH-RBUKOAKNSA-N 0 1 296.389 4.911 20 30 CJEDMN CC[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccc(F)cc1 ZINC000090665704 330394611 /nfs/dbraw/zinc/39/46/11/330394611.db2.gz OUZRFMAIJYYTMH-RTBURBONSA-N 0 1 296.389 4.911 20 30 CJEDMN C=CCC[C@H](N[C@H](c1nccs1)c1ccccc1)C1CC1 ZINC000120716841 330391831 /nfs/dbraw/zinc/39/18/31/330391831.db2.gz SMQKYMQXIFEZAF-IRXDYDNUSA-N 0 1 298.455 4.567 20 30 CJEDMN C=CCC[C@@H](N[C@H](c1nccs1)c1ccccc1)C1CC1 ZINC000120717020 330391824 /nfs/dbraw/zinc/39/18/24/330391824.db2.gz SMQKYMQXIFEZAF-SJORKVTESA-N 0 1 298.455 4.567 20 30 CJEDMN C=CCC[C@H](N[C@@H](c1nccs1)c1ccccc1)C1CC1 ZINC000120717221 330391814 /nfs/dbraw/zinc/39/18/14/330391814.db2.gz SMQKYMQXIFEZAF-DLBZAZTESA-N 0 1 298.455 4.567 20 30 CJEDMN C=CCC[C@@H](N[C@@H](c1nccs1)c1ccccc1)C1CC1 ZINC000120717377 330391859 /nfs/dbraw/zinc/39/18/59/330391859.db2.gz SMQKYMQXIFEZAF-IAGOWNOFSA-N 0 1 298.455 4.567 20 30 CJEDMN N#Cc1ccc(CN[C@@H](CC2CCCC2)c2ccccc2)o1 ZINC000128898920 333725208 /nfs/dbraw/zinc/72/52/08/333725208.db2.gz XPEMXADABMBQGD-IBGZPJMESA-N 0 1 294.398 4.562 20 30 CJEDMN Cc1cc(Cl)ccc1CN[C@@H](CCC#N)c1ccccc1 ZINC000130313166 329624119 /nfs/dbraw/zinc/62/41/19/329624119.db2.gz NTHDPCAZPHAZNE-SFHVURJKSA-N 0 1 298.817 4.783 20 30 CJEDMN Cc1cc(Cl)ccc1CN[C@H](CCC#N)c1ccccc1 ZINC000130313388 329624208 /nfs/dbraw/zinc/62/42/08/329624208.db2.gz NTHDPCAZPHAZNE-GOSISDBHSA-N 0 1 298.817 4.783 20 30 CJEDMN Cc1cc(C)c(CN[C@@H](CCC#N)c2ccccc2)cc1C ZINC000130404492 333841213 /nfs/dbraw/zinc/84/12/13/333841213.db2.gz GCCUBABVSJWZJX-FQEVSTJZSA-N 0 1 292.426 4.747 20 30 CJEDMN CSc1ccc(CN[C@@H](CCC#N)c2ccccc2)cc1 ZINC000130513578 260857531 /nfs/dbraw/zinc/85/75/31/260857531.db2.gz BJJXNPZCJBGAKE-SFHVURJKSA-N 0 1 296.439 4.543 20 30 CJEDMN CC(C)c1ccc(CN[C@@H](CCC#N)c2ccccc2)cc1 ZINC000130524792 333849783 /nfs/dbraw/zinc/84/97/83/333849783.db2.gz GQCODZYBVJVURS-FQEVSTJZSA-N 0 1 292.426 4.945 20 30 CJEDMN CC(C)c1ccc(CN[C@H](CCC#N)c2ccccc2)cc1 ZINC000130525015 333849797 /nfs/dbraw/zinc/84/97/97/333849797.db2.gz GQCODZYBVJVURS-HXUWFJFHSA-N 0 1 292.426 4.945 20 30 CJEDMN CC[C@H](NCc1ccc(C#N)cc1Cl)c1cccs1 ZINC000162665741 330948601 /nfs/dbraw/zinc/94/86/01/330948601.db2.gz GSYWUYGNDYWRKO-AWEZNQCLSA-N 0 1 290.819 4.514 20 30 CJEDMN CC(C)c1ccc([C@H](NCc2ccc(C#N)o2)C(C)C)cc1 ZINC000174247083 335151233 /nfs/dbraw/zinc/15/12/33/335151233.db2.gz CZIARAMHBNHJCC-LJQANCHMSA-N 0 1 296.414 4.762 20 30 CJEDMN CC(C)c1ccc([C@@H](NCc2ccc(C#N)o2)C(C)C)cc1 ZINC000174247098 335151323 /nfs/dbraw/zinc/15/13/23/335151323.db2.gz CZIARAMHBNHJCC-IBGZPJMESA-N 0 1 296.414 4.762 20 30 CJEDMN CN(CCCC(C)(C)C#N)Cc1cccc(Cl)c1Cl ZINC000174808972 333007767 /nfs/dbraw/zinc/00/77/67/333007767.db2.gz ZDCIJAXPMPWESQ-UHFFFAOYSA-N 0 1 299.245 4.755 20 30 CJEDMN CC(C)(C#N)CCC[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000174823124 333008325 /nfs/dbraw/zinc/00/83/25/333008325.db2.gz BOFCCISTHHOWCR-MRXNPFEDSA-N 0 1 290.838 4.807 20 30 CJEDMN CC(C)(C#N)CCC[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000174823133 333008304 /nfs/dbraw/zinc/00/83/04/333008304.db2.gz BOFCCISTHHOWCR-INIZCTEOSA-N 0 1 290.838 4.807 20 30 CJEDMN Cc1c2ccccc2oc1[C@@H](C)NCc1ccc(C#N)s1 ZINC000176950863 333050884 /nfs/dbraw/zinc/05/08/84/333050884.db2.gz ODIOGLLSGHJRRD-GFCCVEGCSA-N 0 1 296.395 4.525 20 30 CJEDMN Cc1c2ccccc2oc1[C@H](C)NCc1ccc(C#N)s1 ZINC000176950873 333050944 /nfs/dbraw/zinc/05/09/44/333050944.db2.gz ODIOGLLSGHJRRD-LBPRGKRZSA-N 0 1 296.395 4.525 20 30 CJEDMN Cc1c2ccccc2oc1[C@@H](C)NCc1cc(C#N)cs1 ZINC000177686993 333061865 /nfs/dbraw/zinc/06/18/65/333061865.db2.gz BJIDUMDIQZXRRM-GFCCVEGCSA-N 0 1 296.395 4.525 20 30 CJEDMN Cc1c2ccccc2oc1[C@H](C)NCc1cc(C#N)cs1 ZINC000177687007 333061840 /nfs/dbraw/zinc/06/18/40/333061840.db2.gz BJIDUMDIQZXRRM-LBPRGKRZSA-N 0 1 296.395 4.525 20 30 CJEDMN C=CCC[C@H](NCc1nc(C)c(C)s1)c1ccccc1 ZINC000178761589 329202329 /nfs/dbraw/zinc/20/23/29/329202329.db2.gz WFCODIBPTAWCIP-INIZCTEOSA-N 0 1 286.444 4.557 20 30 CJEDMN C=CCC[C@@H](NCc1nc(C)c(C)s1)c1ccccc1 ZINC000178761599 329202296 /nfs/dbraw/zinc/20/22/96/329202296.db2.gz WFCODIBPTAWCIP-MRXNPFEDSA-N 0 1 286.444 4.557 20 30 CJEDMN C[C@H](NCc1ccccc1C#N)c1cc2ccccc2s1 ZINC000179085532 335472765 /nfs/dbraw/zinc/47/27/65/335472765.db2.gz HAMDLKIBSCQUST-ZDUSSCGKSA-N 0 1 292.407 4.624 20 30 CJEDMN C[C@@H](NCc1ccccc1C#N)c1cc2ccccc2s1 ZINC000179085540 335472758 /nfs/dbraw/zinc/47/27/58/335472758.db2.gz HAMDLKIBSCQUST-CYBMUJFWSA-N 0 1 292.407 4.624 20 30 CJEDMN C=CCC[C@@H](NCc1ccncc1Cl)c1ccccc1 ZINC000180046463 335544909 /nfs/dbraw/zinc/54/49/09/335544909.db2.gz BEMWSCBKMUWJKX-QGZVFWFLSA-N 0 1 286.806 4.532 20 30 CJEDMN C=CCC[C@H](NCc1cnc(Cl)s1)c1ccccc1 ZINC000180050825 264395094 /nfs/dbraw/zinc/39/50/94/264395094.db2.gz RNSQZTLFIYXFKB-AWEZNQCLSA-N 0 1 292.835 4.594 20 30 CJEDMN C=CCC[C@@H](NCc1cnc(Cl)s1)c1ccccc1 ZINC000180050840 264395163 /nfs/dbraw/zinc/39/51/63/264395163.db2.gz RNSQZTLFIYXFKB-CQSZACIVSA-N 0 1 292.835 4.594 20 30 CJEDMN CC[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccccc1F ZINC000180986240 329224621 /nfs/dbraw/zinc/22/46/21/329224621.db2.gz DODOJKLIZYXYFF-OALUTQOASA-N 0 1 296.389 4.911 20 30 CJEDMN CC[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccccc1F ZINC000180986258 329224736 /nfs/dbraw/zinc/22/47/36/329224736.db2.gz DODOJKLIZYXYFF-MOPGFXCFSA-N 0 1 296.389 4.911 20 30 CJEDMN CC[C@H](N[C@H](CCC#N)c1ccccc1)c1ccccc1F ZINC000180986276 329224686 /nfs/dbraw/zinc/22/46/86/329224686.db2.gz DODOJKLIZYXYFF-RBUKOAKNSA-N 0 1 296.389 4.911 20 30 CJEDMN CC[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccccc1F ZINC000180986297 329224664 /nfs/dbraw/zinc/22/46/64/329224664.db2.gz DODOJKLIZYXYFF-RTBURBONSA-N 0 1 296.389 4.911 20 30 CJEDMN Cc1cc(CN[C@@H](CCC#N)c2ccccc2)ccc1Cl ZINC000181032170 329225212 /nfs/dbraw/zinc/22/52/12/329225212.db2.gz BFGCLPMXVWBYPY-SFHVURJKSA-N 0 1 298.817 4.783 20 30 CJEDMN Cc1cc(CN[C@H](CCC#N)c2ccccc2)ccc1Cl ZINC000181032186 329225196 /nfs/dbraw/zinc/22/51/96/329225196.db2.gz BFGCLPMXVWBYPY-GOSISDBHSA-N 0 1 298.817 4.783 20 30 CJEDMN C[C@@H](NC1(c2cccc(Cl)c2)CC1)c1cccc(C#N)c1 ZINC000182256731 261931245 /nfs/dbraw/zinc/93/12/45/261931245.db2.gz ADVBDFFZLCLYRE-CYBMUJFWSA-N 0 1 296.801 4.552 20 30 CJEDMN C=C(C)[C@@H](N[C@@H](C)c1ccsc1)c1ccc(F)c(F)c1 ZINC000186450566 333161128 /nfs/dbraw/zinc/16/11/28/333161128.db2.gz ANCPWUMHDZRQRH-MEDUHNTESA-N 0 1 293.382 4.994 20 30 CJEDMN C=C(C)[C@@H](N[C@H](C)c1ccsc1)c1ccc(F)c(F)c1 ZINC000186450582 333161240 /nfs/dbraw/zinc/16/12/40/333161240.db2.gz ANCPWUMHDZRQRH-BDJLRTHQSA-N 0 1 293.382 4.994 20 30 CJEDMN C=C(C)[C@H](N[C@@H](C)c1ccsc1)c1ccc(F)c(F)c1 ZINC000186450596 333161095 /nfs/dbraw/zinc/16/10/95/333161095.db2.gz ANCPWUMHDZRQRH-ZBEGNZNMSA-N 0 1 293.382 4.994 20 30 CJEDMN C=C(C)[C@H](N[C@H](C)c1ccsc1)c1ccc(F)c(F)c1 ZINC000186450613 333161084 /nfs/dbraw/zinc/16/10/84/333161084.db2.gz ANCPWUMHDZRQRH-BZNIZROVSA-N 0 1 293.382 4.994 20 30 CJEDMN C=C(C)[C@@H](N[C@@H](C)c1cccs1)c1ccc(F)c(F)c1 ZINC000186453117 333161122 /nfs/dbraw/zinc/16/11/22/333161122.db2.gz JPKPFBLYMLFRPD-MEDUHNTESA-N 0 1 293.382 4.994 20 30 CJEDMN C=C(C)[C@@H](N[C@H](C)c1cccs1)c1ccc(F)c(F)c1 ZINC000186453133 333161198 /nfs/dbraw/zinc/16/11/98/333161198.db2.gz JPKPFBLYMLFRPD-BDJLRTHQSA-N 0 1 293.382 4.994 20 30 CJEDMN C=C(C)[C@H](N[C@@H](C)c1cccs1)c1ccc(F)c(F)c1 ZINC000186453148 333161453 /nfs/dbraw/zinc/16/14/53/333161453.db2.gz JPKPFBLYMLFRPD-ZBEGNZNMSA-N 0 1 293.382 4.994 20 30 CJEDMN C=C(C)[C@H](N[C@H](C)c1cccs1)c1ccc(F)c(F)c1 ZINC000186453159 333161464 /nfs/dbraw/zinc/16/14/64/333161464.db2.gz JPKPFBLYMLFRPD-BZNIZROVSA-N 0 1 293.382 4.994 20 30 CJEDMN Cc1nc(SCCCC(C)(C)C#N)[nH]c1-c1ccccc1 ZINC000187117192 333168176 /nfs/dbraw/zinc/16/81/76/333168176.db2.gz SUCGHYIOZYTLEP-UHFFFAOYSA-N 0 1 299.443 4.807 20 30 CJEDMN C=C(C)[C@H](NCc1cccc(F)c1)c1ccc(F)c(F)c1 ZINC000187372509 333169794 /nfs/dbraw/zinc/16/97/94/333169794.db2.gz VZTNYRPGCNFSKY-KRWDZBQOSA-N 0 1 291.316 4.511 20 30 CJEDMN C=C(C)[C@@H](NCc1cccc(F)c1)c1ccc(F)c(F)c1 ZINC000187372528 333169718 /nfs/dbraw/zinc/16/97/18/333169718.db2.gz VZTNYRPGCNFSKY-QGZVFWFLSA-N 0 1 291.316 4.511 20 30 CJEDMN C=C(C)[C@@H](NCc1sccc1C)c1ccc(F)c(F)c1 ZINC000187374029 260139278 /nfs/dbraw/zinc/13/92/78/260139278.db2.gz NNFFVOIAEHOBEJ-MRXNPFEDSA-N 0 1 293.382 4.742 20 30 CJEDMN C=C(C)[C@H](NCc1sccc1C)c1ccc(F)c(F)c1 ZINC000187374049 333169958 /nfs/dbraw/zinc/16/99/58/333169958.db2.gz NNFFVOIAEHOBEJ-INIZCTEOSA-N 0 1 293.382 4.742 20 30 CJEDMN C=C(C)[C@H](NCc1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000187374803 333170060 /nfs/dbraw/zinc/17/00/60/333170060.db2.gz YMCHPNIYTAUASB-KRWDZBQOSA-N 0 1 291.316 4.511 20 30 CJEDMN C=C(C)[C@@H](NCc1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000187374824 333170021 /nfs/dbraw/zinc/17/00/21/333170021.db2.gz YMCHPNIYTAUASB-QGZVFWFLSA-N 0 1 291.316 4.511 20 30 CJEDMN C=C(C)[C@@H](NCc1ccc(C)s1)c1ccc(F)c(F)c1 ZINC000187374930 333170066 /nfs/dbraw/zinc/17/00/66/333170066.db2.gz IOSGYXFSMYSUJO-MRXNPFEDSA-N 0 1 293.382 4.742 20 30 CJEDMN C=C(C)[C@H](NCc1ccc(C)s1)c1ccc(F)c(F)c1 ZINC000187374945 333169931 /nfs/dbraw/zinc/16/99/31/333169931.db2.gz IOSGYXFSMYSUJO-INIZCTEOSA-N 0 1 293.382 4.742 20 30 CJEDMN CC[C@H](NCc1ccc(Cl)cc1C#N)c1cccs1 ZINC000187484867 333171648 /nfs/dbraw/zinc/17/16/48/333171648.db2.gz MCELTIHACUHNKP-AWEZNQCLSA-N 0 1 290.819 4.514 20 30 CJEDMN CC[C@@H](NCc1ccc(Cl)cc1C#N)c1cccs1 ZINC000187484886 333171592 /nfs/dbraw/zinc/17/15/92/333171592.db2.gz MCELTIHACUHNKP-CQSZACIVSA-N 0 1 290.819 4.514 20 30 CJEDMN N#CCC[C@@H](NCc1cc(Cl)cs1)c1ccccc1 ZINC000193175748 262218127 /nfs/dbraw/zinc/21/81/27/262218127.db2.gz VZAPDZKOQJFSNY-OAHLLOKOSA-N 0 1 290.819 4.536 20 30 CJEDMN N#CCC[C@H](NCc1cc(Cl)cs1)c1ccccc1 ZINC000193175758 262218067 /nfs/dbraw/zinc/21/80/67/262218067.db2.gz VZAPDZKOQJFSNY-HNNXBMFYSA-N 0 1 290.819 4.536 20 30 CJEDMN Cc1ccc(CN[C@@H](CCC#N)c2ccccc2)cc1Cl ZINC000195448254 331173580 /nfs/dbraw/zinc/17/35/80/331173580.db2.gz WFMMOMWPFZERRL-SFHVURJKSA-N 0 1 298.817 4.783 20 30 CJEDMN Cc1ccc(CN[C@H](CCC#N)c2ccccc2)cc1Cl ZINC000195448258 331173656 /nfs/dbraw/zinc/17/36/56/331173656.db2.gz WFMMOMWPFZERRL-GOSISDBHSA-N 0 1 298.817 4.783 20 30 CJEDMN C=CCCCCCN[C@H](c1nccs1)c1ccccc1 ZINC000195448424 333253416 /nfs/dbraw/zinc/25/34/16/333253416.db2.gz KZTYZKZWPVPCAT-INIZCTEOSA-N 0 1 286.444 4.569 20 30 CJEDMN C=CCCCCCN[C@@H](c1nccs1)c1ccccc1 ZINC000195448430 333253391 /nfs/dbraw/zinc/25/33/91/333253391.db2.gz KZTYZKZWPVPCAT-MRXNPFEDSA-N 0 1 286.444 4.569 20 30 CJEDMN C=CCN(Cc1cccs1)Cc1cc(C)sc1C ZINC000195673826 333260449 /nfs/dbraw/zinc/26/04/49/333260449.db2.gz CPAFLZJCCZWTIZ-UHFFFAOYSA-N 0 1 277.458 4.615 20 30 CJEDMN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1csc(Cl)c1 ZINC000230408553 333317742 /nfs/dbraw/zinc/31/77/42/333317742.db2.gz HWKLNNJEIKQZRF-WDEREUQCSA-N 0 1 290.819 4.685 20 30 CJEDMN C[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1csc(Cl)c1 ZINC000230408557 333317877 /nfs/dbraw/zinc/31/78/77/333317877.db2.gz HWKLNNJEIKQZRF-QWRGUYRKSA-N 0 1 290.819 4.685 20 30 CJEDMN C[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1csc(Cl)c1 ZINC000230408561 333317768 /nfs/dbraw/zinc/31/77/68/333317768.db2.gz HWKLNNJEIKQZRF-GHMZBOCLSA-N 0 1 290.819 4.685 20 30 CJEDMN C[C@@H](N[C@@H](C)c1csc(Cl)c1)c1ccc(C#N)cc1 ZINC000230408564 333317858 /nfs/dbraw/zinc/31/78/58/333317858.db2.gz HWKLNNJEIKQZRF-MNOVXSKESA-N 0 1 290.819 4.685 20 30 CJEDMN CC(C)[C@@H](NCc1cccc(C#N)c1)c1ccccc1Cl ZINC000236739285 333375210 /nfs/dbraw/zinc/37/52/10/333375210.db2.gz YDMQIJXWHXRHLT-GOSISDBHSA-N 0 1 298.817 4.699 20 30 CJEDMN CC(C)[C@H](NCc1cccc(C#N)c1)c1ccccc1Cl ZINC000236790969 333375364 /nfs/dbraw/zinc/37/53/64/333375364.db2.gz YDMQIJXWHXRHLT-SFHVURJKSA-N 0 1 298.817 4.699 20 30 CJEDMN C=CCC[C@H](N[C@@H](C)c1csc(C)n1)c1ccccc1 ZINC000271488609 330079839 /nfs/dbraw/zinc/07/98/39/330079839.db2.gz KDGUILNTOUIVII-BBRMVZONSA-N 0 1 286.444 4.810 20 30 CJEDMN C=CCC[C@H](N[C@H](C)c1csc(C)n1)c1ccccc1 ZINC000271488611 330080191 /nfs/dbraw/zinc/08/01/91/330080191.db2.gz KDGUILNTOUIVII-CJNGLKHVSA-N 0 1 286.444 4.810 20 30 CJEDMN C=CCC[C@@H](N[C@H](C)c1csc(C)n1)c1ccccc1 ZINC000271488613 330079689 /nfs/dbraw/zinc/07/96/89/330079689.db2.gz KDGUILNTOUIVII-CZUORRHYSA-N 0 1 286.444 4.810 20 30 CJEDMN C=CCC[C@@H](N[C@@H](C)c1csc(C)n1)c1ccccc1 ZINC000271488614 330079665 /nfs/dbraw/zinc/07/96/65/330079665.db2.gz KDGUILNTOUIVII-XJKSGUPXSA-N 0 1 286.444 4.810 20 30 CJEDMN Cc1nc(C(C)C)sc1[C@@H](C)N(C)CCC(C)(C)C#N ZINC000271956787 263000714 /nfs/dbraw/zinc/00/07/14/263000714.db2.gz CAYDINNHFGJSRQ-CYBMUJFWSA-N 0 1 293.480 4.508 20 30 CJEDMN Cc1nc(C(C)C)sc1[C@H](C)N(C)CCC(C)(C)C#N ZINC000271956789 263000579 /nfs/dbraw/zinc/00/05/79/263000579.db2.gz CAYDINNHFGJSRQ-ZDUSSCGKSA-N 0 1 293.480 4.508 20 30 CJEDMN CC[C@H](N[C@H](CCC#N)c1ccccc1)c1ccsc1 ZINC000296890515 263198023 /nfs/dbraw/zinc/19/80/23/263198023.db2.gz OOAKZVMBUIKTPL-DLBZAZTESA-N 0 1 284.428 4.834 20 30 CJEDMN CC[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccsc1 ZINC000296890519 263198027 /nfs/dbraw/zinc/19/80/27/263198027.db2.gz OOAKZVMBUIKTPL-IAGOWNOFSA-N 0 1 284.428 4.834 20 30 CJEDMN CC[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccsc1 ZINC000296890520 263197972 /nfs/dbraw/zinc/19/79/72/263197972.db2.gz OOAKZVMBUIKTPL-IRXDYDNUSA-N 0 1 284.428 4.834 20 30 CJEDMN CC[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccsc1 ZINC000296890524 263198042 /nfs/dbraw/zinc/19/80/42/263198042.db2.gz OOAKZVMBUIKTPL-SJORKVTESA-N 0 1 284.428 4.834 20 30 CJEDMN Cc1cc([C@@H](C)N[C@@H](CCC#N)c2ccccc2)cs1 ZINC000297043788 263200021 /nfs/dbraw/zinc/20/00/21/263200021.db2.gz VJGBYFRRGUWGIL-PBHICJAKSA-N 0 1 284.428 4.752 20 30 CJEDMN Cc1cc([C@@H](C)N[C@H](CCC#N)c2ccccc2)cs1 ZINC000297043790 263199804 /nfs/dbraw/zinc/19/98/04/263199804.db2.gz VJGBYFRRGUWGIL-RHSMWYFYSA-N 0 1 284.428 4.752 20 30 CJEDMN Cc1cc([C@H](C)N[C@H](CCC#N)c2ccccc2)cs1 ZINC000297043792 263199808 /nfs/dbraw/zinc/19/98/08/263199808.db2.gz VJGBYFRRGUWGIL-WMLDXEAASA-N 0 1 284.428 4.752 20 30 CJEDMN Cc1cc([C@H](C)N[C@@H](CCC#N)c2ccccc2)cs1 ZINC000297043795 263200213 /nfs/dbraw/zinc/20/02/13/263200213.db2.gz VJGBYFRRGUWGIL-YOEHRIQHSA-N 0 1 284.428 4.752 20 30 CJEDMN Cc1ccc2nc(S[C@H](C)c3ccc(C#N)cc3)[nH]c2c1 ZINC000303670187 328357709 /nfs/dbraw/zinc/35/77/09/328357709.db2.gz GEJFFQSUNQQBPJ-GFCCVEGCSA-N 0 1 293.395 4.596 20 30 CJEDMN Cc1ccc2nc(S[C@@H](C)c3ccc(C#N)cc3)[nH]c2c1 ZINC000303670189 328357717 /nfs/dbraw/zinc/35/77/17/328357717.db2.gz GEJFFQSUNQQBPJ-LBPRGKRZSA-N 0 1 293.395 4.596 20 30 CJEDMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H](C)c1c(C)cccc1C ZINC000330870181 264058386 /nfs/dbraw/zinc/05/83/86/264058386.db2.gz QMFGWNJQJZYXEE-CYBMUJFWSA-N 0 1 299.418 4.524 20 30 CJEDMN N#CCCCN1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000340185399 328244905 /nfs/dbraw/zinc/24/49/05/328244905.db2.gz FGZWFAQAUICPSM-HNNXBMFYSA-N 0 1 296.336 4.536 20 30 CJEDMN N#CCCCN1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000340185400 328244997 /nfs/dbraw/zinc/24/49/97/328244997.db2.gz FGZWFAQAUICPSM-OAHLLOKOSA-N 0 1 296.336 4.536 20 30 CJEDMN C=CCC[C@@H](N[C@@H](C)c1ccncc1F)c1ccccc1 ZINC000340532138 263188075 /nfs/dbraw/zinc/18/80/75/263188075.db2.gz KHXAMECMYGLSQW-KBXCAEBGSA-N 0 1 284.378 4.579 20 30 CJEDMN C=CCC[C@H](N[C@H](C)c1ccncc1F)c1ccccc1 ZINC000340532152 263188040 /nfs/dbraw/zinc/18/80/40/263188040.db2.gz KHXAMECMYGLSQW-KDOFPFPSSA-N 0 1 284.378 4.579 20 30 CJEDMN C=CCC[C@H](N[C@@H](C)c1ccncc1F)c1ccccc1 ZINC000340532155 263188156 /nfs/dbraw/zinc/18/81/56/263188156.db2.gz KHXAMECMYGLSQW-KSSFIOAISA-N 0 1 284.378 4.579 20 30 CJEDMN C=CCC[C@@H](N[C@H](C)c1ccncc1F)c1ccccc1 ZINC000340532156 263187811 /nfs/dbraw/zinc/18/78/11/263187811.db2.gz KHXAMECMYGLSQW-RDTXWAMCSA-N 0 1 284.378 4.579 20 30 CJEDMN N#CCC[C@@H](NCc1ccc2occc2c1)c1ccccc1 ZINC000352761285 534657204 /nfs/dbraw/zinc/65/72/04/534657204.db2.gz VPCXOWOWGRPABC-GOSISDBHSA-N 0 1 290.366 4.567 20 30 CJEDMN N#CCC[C@H](NCc1ccc2occc2c1)c1ccccc1 ZINC000352761286 227197235 /nfs/dbraw/zinc/19/72/35/227197235.db2.gz VPCXOWOWGRPABC-SFHVURJKSA-N 0 1 290.366 4.567 20 30 CJEDMN C=CCC[C@H](NCc1nc(C2CC2)cs1)c1ccccc1 ZINC000358285018 328881649 /nfs/dbraw/zinc/88/16/49/328881649.db2.gz INVUBNOEKPJQSG-INIZCTEOSA-N 0 1 298.455 4.818 20 30 CJEDMN CCCc1cccc(CN[C@H](CCC#N)c2ccccc2)c1 ZINC000358996994 266519946 /nfs/dbraw/zinc/51/99/46/266519946.db2.gz DKUYYDNEVVVTFR-HXUWFJFHSA-N 0 1 292.426 4.774 20 30 CJEDMN C=CCC[C@H](NCc1cnccc1C(C)(C)C)c1ccco1 ZINC000414229758 262829238 /nfs/dbraw/zinc/82/92/38/262829238.db2.gz NHNDFLADXHTBBR-KRWDZBQOSA-N 0 1 298.430 4.769 20 30 CJEDMN N#CCC[C@H](NCc1cccc(C2CC2)c1)c1ccccc1 ZINC000421344938 329814572 /nfs/dbraw/zinc/81/45/72/329814572.db2.gz VJRDKDWQPKJSOJ-FQEVSTJZSA-N 0 1 290.410 4.699 20 30 CJEDMN N#CCC[C@@H](NCc1cccc(C2CC2)c1)c1ccccc1 ZINC000421344939 329814561 /nfs/dbraw/zinc/81/45/61/329814561.db2.gz VJRDKDWQPKJSOJ-HXUWFJFHSA-N 0 1 290.410 4.699 20 30 CJEDMN C=CCC[C@H](NCc1oc(C(C)C)nc1C)c1ccccc1 ZINC000428354775 330521197 /nfs/dbraw/zinc/52/11/97/330521197.db2.gz LSECNBOZZJNPGU-KRWDZBQOSA-N 0 1 298.430 4.904 20 30 CJEDMN Cc1cccc(C)c1[C@H](C)NCc1ccc(C#N)cc1Cl ZINC000439434401 330738318 /nfs/dbraw/zinc/73/83/18/330738318.db2.gz BOESHVGSTUYSFZ-AWEZNQCLSA-N 0 1 298.817 4.679 20 30 CJEDMN Cc1cc(C)cc([C@H](C)NCc2ccc(C#N)cc2Cl)c1 ZINC000439453678 330738545 /nfs/dbraw/zinc/73/85/45/330738545.db2.gz QJWISQOHEGLDJZ-AWEZNQCLSA-N 0 1 298.817 4.679 20 30 CJEDMN CC[C@H](NCc1ccc(C#N)cc1Cl)c1ccc(C)cc1 ZINC000439453809 330738557 /nfs/dbraw/zinc/73/85/57/330738557.db2.gz PYNDZGCHNUIQSB-SFHVURJKSA-N 0 1 298.817 4.761 20 30 CJEDMN C=CCOc1ccccc1CN[C@H](CC)c1cccc(F)c1 ZINC000446844281 330856275 /nfs/dbraw/zinc/85/62/75/330856275.db2.gz SHCZVABJPRUMOK-GOSISDBHSA-N 0 1 299.389 4.631 20 30 CJEDMN C=C(C)[C@@H](NCc1csc(C)c1)c1ccc(F)c(F)c1 ZINC000449252765 330909989 /nfs/dbraw/zinc/90/99/89/330909989.db2.gz WHISSMQWRIUZPZ-MRXNPFEDSA-N 0 1 293.382 4.742 20 30 CJEDMN CC(C)(C#N)CCCCN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451864692 331045259 /nfs/dbraw/zinc/04/52/59/331045259.db2.gz WYECPRRQTWHBSM-INIZCTEOSA-N 0 1 286.419 4.527 20 30 CJEDMN CC(C)(C#N)CCCCN1CC2(CCC2)[C@H]1c1ccco1 ZINC000451864693 331045297 /nfs/dbraw/zinc/04/52/97/331045297.db2.gz WYECPRRQTWHBSM-MRXNPFEDSA-N 0 1 286.419 4.527 20 30 CJEDMN C=CCOc1ccccc1CN[C@@H](CC)c1ccsc1 ZINC000453108030 331089785 /nfs/dbraw/zinc/08/97/85/331089785.db2.gz KDDLMSLCWSFOPQ-INIZCTEOSA-N 0 1 287.428 4.554 20 30 CJEDMN C=CCOc1ccccc1CN[C@H](CC)c1ccsc1 ZINC000453108031 331089844 /nfs/dbraw/zinc/08/98/44/331089844.db2.gz KDDLMSLCWSFOPQ-MRXNPFEDSA-N 0 1 287.428 4.554 20 30 CJEDMN C=CCC[C@@H](N[C@@H]1C[C@@H](C)Oc2ccccc21)c1ccco1 ZINC000453273855 331109756 /nfs/dbraw/zinc/10/97/56/331109756.db2.gz VHIZWBNRTRFDFE-DJIMGWMZSA-N 0 1 297.398 4.789 20 30 CJEDMN C=CCC[C@H](N[C@@H]1C[C@@H](C)Oc2ccccc21)c1ccco1 ZINC000453273857 331109867 /nfs/dbraw/zinc/10/98/67/331109867.db2.gz VHIZWBNRTRFDFE-HYVNUMGLSA-N 0 1 297.398 4.789 20 30 CJEDMN N#CCC[C@H](NCc1ccc(C2CC2)cc1)c1ccccc1 ZINC000459448816 331281815 /nfs/dbraw/zinc/28/18/15/331281815.db2.gz LZTGGJMZAKNBGR-FQEVSTJZSA-N 0 1 290.410 4.699 20 30 CJEDMN N#CCC[C@@H](NCc1ccc(C2CC2)cc1)c1ccccc1 ZINC000459448820 331281914 /nfs/dbraw/zinc/28/19/14/331281914.db2.gz LZTGGJMZAKNBGR-HXUWFJFHSA-N 0 1 290.410 4.699 20 30 CJEDMN C=CCN(Cc1cccs1)Cc1ccc(C(F)F)cc1 ZINC000461387954 331312860 /nfs/dbraw/zinc/31/28/60/331312860.db2.gz OOCOVVNUYUEQBS-UHFFFAOYSA-N 0 1 293.382 4.874 20 30 CJEDMN CCC(CC)CN(CCC#N)Cc1ccc(C(F)F)cc1 ZINC000461394568 331312819 /nfs/dbraw/zinc/31/28/19/331312819.db2.gz MAAMAIDLNOHQBT-UHFFFAOYSA-N 0 1 294.389 4.776 20 30 CJEDMN CC(C)[C@@H](NCc1ccc(Cl)cc1C#N)c1ccccc1 ZINC000480531060 331776306 /nfs/dbraw/zinc/77/63/06/331776306.db2.gz XKINOLRAZUOKRW-GOSISDBHSA-N 0 1 298.817 4.699 20 30 CJEDMN CC(C)[C@H](NCc1ccc(Cl)cc1C#N)c1ccccc1 ZINC000480531061 331776174 /nfs/dbraw/zinc/77/61/74/331776174.db2.gz XKINOLRAZUOKRW-SFHVURJKSA-N 0 1 298.817 4.699 20 30 CJEDMN C=C(C)[C@H](N[C@H](C)c1ccccc1)c1ccc(F)c(F)c1 ZINC000480681928 331784202 /nfs/dbraw/zinc/78/42/02/331784202.db2.gz NMRGEOHWEFDVAG-ACJLOTCBSA-N 0 1 287.353 4.933 20 30 CJEDMN C=C(C)[C@@H](N[C@H](C)c1ccccc1)c1ccc(F)c(F)c1 ZINC000480681929 331784252 /nfs/dbraw/zinc/78/42/52/331784252.db2.gz NMRGEOHWEFDVAG-FZKQIMNGSA-N 0 1 287.353 4.933 20 30 CJEDMN C=C(C)[C@@H](N[C@@H](C)c1ccccc1)c1ccc(F)c(F)c1 ZINC000480681930 331784400 /nfs/dbraw/zinc/78/44/00/331784400.db2.gz NMRGEOHWEFDVAG-SCLBCKFNSA-N 0 1 287.353 4.933 20 30 CJEDMN C=C(C)[C@H](N[C@@H](C)c1ccccc1)c1ccc(F)c(F)c1 ZINC000480681932 331784199 /nfs/dbraw/zinc/78/41/99/331784199.db2.gz NMRGEOHWEFDVAG-UGSOOPFHSA-N 0 1 287.353 4.933 20 30 CJEDMN CC[C@H](NCc1ccc(Cl)cc1C#N)c1ccc(C)cc1 ZINC000480871534 331790210 /nfs/dbraw/zinc/79/02/10/331790210.db2.gz SLVAUXYFXDFHCO-SFHVURJKSA-N 0 1 298.817 4.761 20 30 CJEDMN Cc1cccc(C)c1[C@H](C)NCc1ccc(Cl)cc1C#N ZINC000481176409 331800131 /nfs/dbraw/zinc/80/01/31/331800131.db2.gz JXIXOHYLYLUNCY-AWEZNQCLSA-N 0 1 298.817 4.679 20 30 CJEDMN Cc1cccc(C)c1[C@@H](C)NCc1ccc(Cl)cc1C#N ZINC000481176417 331799944 /nfs/dbraw/zinc/79/99/44/331799944.db2.gz JXIXOHYLYLUNCY-CQSZACIVSA-N 0 1 298.817 4.679 20 30 CJEDMN CC(C)(C)[C@H](NCc1ccc(F)cc1C#N)c1ccccc1 ZINC000489563032 332059333 /nfs/dbraw/zinc/05/93/33/332059333.db2.gz BASJUTQCXAWFFH-GOSISDBHSA-N 0 1 296.389 4.574 20 30 CJEDMN CC(C)(C)[C@@H](NCc1ccc(F)cc1C#N)c1ccccc1 ZINC000489563035 332059460 /nfs/dbraw/zinc/05/94/60/332059460.db2.gz BASJUTQCXAWFFH-SFHVURJKSA-N 0 1 296.389 4.574 20 30 CJEDMN CC[C@@H](c1ccccc1)N(CC)Cc1ccc(F)cc1C#N ZINC000489646519 332062964 /nfs/dbraw/zinc/06/29/64/332062964.db2.gz HEGCCBNGLYQOOM-IBGZPJMESA-N 0 1 296.389 4.671 20 30 CJEDMN CC[C@H](c1ccccc1)N(CC)Cc1ccc(F)cc1C#N ZINC000489646520 332062925 /nfs/dbraw/zinc/06/29/25/332062925.db2.gz HEGCCBNGLYQOOM-LJQANCHMSA-N 0 1 296.389 4.671 20 30 CJEDMN C=CCOc1ccccc1CN[C@H](CC)c1ccccc1F ZINC000492153334 332384827 /nfs/dbraw/zinc/38/48/27/332384827.db2.gz AADVWBFFBJJSSH-GOSISDBHSA-N 0 1 299.389 4.631 20 30 CJEDMN C=CCOc1ccccc1CN[C@@H](CC)c1ccccc1F ZINC000492153335 332384841 /nfs/dbraw/zinc/38/48/41/332384841.db2.gz AADVWBFFBJJSSH-SFHVURJKSA-N 0 1 299.389 4.631 20 30 CJEDMN CC(C)[C@@H](c1ccccc1)N(C)Cc1ccc(F)cc1C#N ZINC000497412676 262156683 /nfs/dbraw/zinc/15/66/83/262156683.db2.gz SUPYHJXVFHRPGZ-IBGZPJMESA-N 0 1 296.389 4.526 20 30 CJEDMN CC(C)[C@H](c1ccccc1)N(C)Cc1ccc(F)cc1C#N ZINC000497412677 262156578 /nfs/dbraw/zinc/15/65/78/262156578.db2.gz SUPYHJXVFHRPGZ-LJQANCHMSA-N 0 1 296.389 4.526 20 30 CJEDMN CCN(Cc1ccccc1Cl)[C@H](C)c1ccc(C#N)cc1 ZINC000497593448 262179168 /nfs/dbraw/zinc/17/91/68/262179168.db2.gz CFEZCWFYKGGFAE-CQSZACIVSA-N 0 1 298.817 4.795 20 30 CJEDMN C=CCC[C@@H](NCc1c(F)cccc1F)c1ccccc1 ZINC000505480577 332741891 /nfs/dbraw/zinc/74/18/91/332741891.db2.gz OOFJWTHUUVFMIF-GOSISDBHSA-N 0 1 287.353 4.762 20 30 CJEDMN CC(C)(C)[C@H](NCc1cccc(C#N)c1F)c1ccccc1 ZINC000512409021 332967347 /nfs/dbraw/zinc/96/73/47/332967347.db2.gz LBRSZXWLPBLXHI-GOSISDBHSA-N 0 1 296.389 4.574 20 30 CJEDMN CC(C)(C)[C@@H](NCc1cccc(C#N)c1F)c1ccccc1 ZINC000512409031 332967215 /nfs/dbraw/zinc/96/72/15/332967215.db2.gz LBRSZXWLPBLXHI-SFHVURJKSA-N 0 1 296.389 4.574 20 30 CJEDMN CC[C@H](CC#N)NCc1sc2c(cccc2Cl)c1C ZINC000512548031 332973022 /nfs/dbraw/zinc/97/30/22/332973022.db2.gz WPEQNBXDYKTVTD-LLVKDONJSA-N 0 1 292.835 4.645 20 30 CJEDMN CC(C)c1ccc(CN[C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512620252 332976082 /nfs/dbraw/zinc/97/60/82/332976082.db2.gz PKNZITSGXVUAAY-CQSZACIVSA-N 0 1 296.389 4.672 20 30 CJEDMN Cc1ccc([C@H](C)N[C@H](C)c2ccc(C#N)cc2F)cc1C ZINC000512629223 332976781 /nfs/dbraw/zinc/97/67/81/332976781.db2.gz HZXPBVMASHMSLU-LSDHHAIUSA-N 0 1 296.389 4.726 20 30 CJEDMN CCc1ccc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512629692 332976791 /nfs/dbraw/zinc/97/67/91/332976791.db2.gz JZXFLQLNYQZKMR-KBPBESRZSA-N 0 1 296.389 4.672 20 30 CJEDMN CCc1ccc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512629694 332976681 /nfs/dbraw/zinc/97/66/81/332976681.db2.gz JZXFLQLNYQZKMR-KGLIPLIRSA-N 0 1 296.389 4.672 20 30 CJEDMN CC[C@@H](N[C@H](C)c1ccc(C#N)cc1F)c1ccc(C)cc1 ZINC000512633646 332977043 /nfs/dbraw/zinc/97/70/43/332977043.db2.gz AJVDQBYZEMDSHQ-AUUYWEPGSA-N 0 1 296.389 4.808 20 30 CJEDMN CC[C@H](N[C@@H](C)c1ccc(C#N)cc1F)c1ccc(C)cc1 ZINC000512633649 332976973 /nfs/dbraw/zinc/97/69/73/332976973.db2.gz AJVDQBYZEMDSHQ-LIRRHRJNSA-N 0 1 296.389 4.808 20 30 CJEDMN Cc1cccc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2F)c1C ZINC000512659392 332978366 /nfs/dbraw/zinc/97/83/66/332978366.db2.gz GLYWSARMPSDJPP-CABCVRRESA-N 0 1 296.389 4.726 20 30 CJEDMN Cc1cccc([C@H](C)N[C@H](C)c2ccc(C#N)cc2F)c1C ZINC000512659395 332978423 /nfs/dbraw/zinc/97/84/23/332978423.db2.gz GLYWSARMPSDJPP-LSDHHAIUSA-N 0 1 296.389 4.726 20 30 CJEDMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2F)c(C)c1 ZINC000512664574 332978839 /nfs/dbraw/zinc/97/88/39/332978839.db2.gz AGLQXXBDGQJCLA-CABCVRRESA-N 0 1 296.389 4.726 20 30 CJEDMN Cc1ccc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2F)c(C)c1 ZINC000512664575 332978942 /nfs/dbraw/zinc/97/89/42/332978942.db2.gz AGLQXXBDGQJCLA-GJZGRUSLSA-N 0 1 296.389 4.726 20 30 CJEDMN Cc1ccc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2F)c(C)c1 ZINC000512664576 332978945 /nfs/dbraw/zinc/97/89/45/332978945.db2.gz AGLQXXBDGQJCLA-HUUCEWRRSA-N 0 1 296.389 4.726 20 30 CJEDMN Cc1ccc([C@H](C)N[C@H](C)c2ccc(C#N)cc2F)c(C)c1 ZINC000512664577 332978824 /nfs/dbraw/zinc/97/88/24/332978824.db2.gz AGLQXXBDGQJCLA-LSDHHAIUSA-N 0 1 296.389 4.726 20 30 CJEDMN CC[C@H](N[C@@H](C)c1ccc(C#N)cc1F)c1cccs1 ZINC000512665910 332978948 /nfs/dbraw/zinc/97/89/48/332978948.db2.gz IAPDDGKCDLJFKL-NHYWBVRUSA-N 0 1 288.391 4.561 20 30 CJEDMN Cc1cc(C)cc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000512666597 332979027 /nfs/dbraw/zinc/97/90/27/332979027.db2.gz LIGDCVMOGPCYFB-CABCVRRESA-N 0 1 296.389 4.726 20 30 CJEDMN Cc1cc(C)cc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2F)c1 ZINC000512666599 332979161 /nfs/dbraw/zinc/97/91/61/332979161.db2.gz LIGDCVMOGPCYFB-HUUCEWRRSA-N 0 1 296.389 4.726 20 30 CJEDMN CCC[C@@H](N[C@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000512666980 332979191 /nfs/dbraw/zinc/97/91/91/332979191.db2.gz NDVFXOQILRYHGJ-AUUYWEPGSA-N 0 1 296.389 4.889 20 30 CJEDMN CCC[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000512666981 332979062 /nfs/dbraw/zinc/97/90/62/332979062.db2.gz NDVFXOQILRYHGJ-IFXJQAMLSA-N 0 1 296.389 4.889 20 30 CJEDMN CCC[C@H](N[C@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000512666982 332979030 /nfs/dbraw/zinc/97/90/30/332979030.db2.gz NDVFXOQILRYHGJ-KUHUBIRLSA-N 0 1 296.389 4.889 20 30 CJEDMN CCC[C@H](N[C@@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000512666983 332979181 /nfs/dbraw/zinc/97/91/81/332979181.db2.gz NDVFXOQILRYHGJ-LIRRHRJNSA-N 0 1 296.389 4.889 20 30 CJEDMN C=CCC[C@H](NCc1cccc(Cl)c1)c1ccco1 ZINC000513652681 333029294 /nfs/dbraw/zinc/02/92/94/333029294.db2.gz BGFRSNCGBJPVQR-HNNXBMFYSA-N 0 1 275.779 4.730 20 30 CJEDMN C=CCC[C@@H](NCc1cccc(Cl)c1)c1ccco1 ZINC000513652682 333029353 /nfs/dbraw/zinc/02/93/53/333029353.db2.gz BGFRSNCGBJPVQR-OAHLLOKOSA-N 0 1 275.779 4.730 20 30 CJEDMN C=CCC[C@@H](NCc1ccc(Cl)s1)c1ccco1 ZINC000513656432 333029519 /nfs/dbraw/zinc/02/95/19/333029519.db2.gz SSOPKAMCGUQIPE-GFCCVEGCSA-N 0 1 281.808 4.792 20 30 CJEDMN C=CCC[C@H](NCc1ccc(Cl)s1)c1ccco1 ZINC000513656433 333029644 /nfs/dbraw/zinc/02/96/44/333029644.db2.gz SSOPKAMCGUQIPE-LBPRGKRZSA-N 0 1 281.808 4.792 20 30 CJEDMN C=CCC[C@H](NCc1ccc(F)c(C)c1)c1ccco1 ZINC000514082761 261199644 /nfs/dbraw/zinc/19/96/44/261199644.db2.gz ILJKWBOQJDFMLF-INIZCTEOSA-N 0 1 273.351 4.524 20 30 CJEDMN C=CCC[C@@H](NCc1ccc(F)c(C)c1)c1ccco1 ZINC000514082765 261199680 /nfs/dbraw/zinc/19/96/80/261199680.db2.gz ILJKWBOQJDFMLF-MRXNPFEDSA-N 0 1 273.351 4.524 20 30 CJEDMN C=CCC[C@@H](NCc1ccc(OC(C)C)cc1)c1ccco1 ZINC000514093867 328301750 /nfs/dbraw/zinc/30/17/50/328301750.db2.gz KUURPBFDMYYGNW-GOSISDBHSA-N 0 1 299.414 4.864 20 30 CJEDMN C=CCC[C@H](NCc1ccc(OC(C)C)cc1)c1ccco1 ZINC000514093868 328301788 /nfs/dbraw/zinc/30/17/88/328301788.db2.gz KUURPBFDMYYGNW-SFHVURJKSA-N 0 1 299.414 4.864 20 30 CJEDMN C=CCC[C@H](NCc1ccc(OCCC)cc1)c1ccco1 ZINC000514101040 328830141 /nfs/dbraw/zinc/83/01/41/328830141.db2.gz YWJXVTBHFJPSLO-SFHVURJKSA-N 0 1 299.414 4.866 20 30 CJEDMN C=CCC[C@H](NCc1ccc(C)c(F)c1)c1ccco1 ZINC000516498783 330493861 /nfs/dbraw/zinc/49/38/61/330493861.db2.gz OWCXDKZTDBVGAS-INIZCTEOSA-N 0 1 273.351 4.524 20 30 CJEDMN CC[C@@H](c1ccccc1)N(CC)Cc1ccccc1C#N ZINC000521823033 333190677 /nfs/dbraw/zinc/19/06/77/333190677.db2.gz JCOTXLBDGMCJGU-IBGZPJMESA-N 0 1 278.399 4.531 20 30 CJEDMN CC[C@H](c1ccccc1)N(CC)Cc1ccccc1C#N ZINC000521823034 333190594 /nfs/dbraw/zinc/19/05/94/333190594.db2.gz JCOTXLBDGMCJGU-LJQANCHMSA-N 0 1 278.399 4.531 20 30 CJEDMN C=CCCCCCN(C)Cc1ncc(-c2ccccc2)o1 ZINC000523551939 333332833 /nfs/dbraw/zinc/33/28/33/333332833.db2.gz JHVIEVBJDAVZGK-UHFFFAOYSA-N 0 1 284.403 4.520 20 30 CJEDMN C=CCCCCCN(C)Cc1csc(-c2ccoc2)n1 ZINC000523552125 333332894 /nfs/dbraw/zinc/33/28/94/333332894.db2.gz OIEULUCOHBZGIA-UHFFFAOYSA-N 0 1 290.432 4.581 20 30 CJEDMN C=CCCCCCN(C)Cc1coc(-c2cccs2)n1 ZINC000523556875 333333089 /nfs/dbraw/zinc/33/30/89/333333089.db2.gz RBHKJYRSVNIZHQ-UHFFFAOYSA-N 0 1 290.432 4.581 20 30 CJEDMN N#Cc1ccccc1CN[C@@H](c1ccccc1)C1CCCC1 ZINC000533063861 330325446 /nfs/dbraw/zinc/32/54/46/330325446.db2.gz ZTLKYCUMVPRRSJ-FQEVSTJZSA-N 0 1 290.410 4.579 20 30 CJEDMN N#Cc1ccccc1CN[C@H](c1ccccc1)C1CCCC1 ZINC000533063862 330325461 /nfs/dbraw/zinc/32/54/61/330325461.db2.gz ZTLKYCUMVPRRSJ-HXUWFJFHSA-N 0 1 290.410 4.579 20 30 CJEDMN C=CCC[C@@H](NCc1ccc(CC)o1)c1ccccc1 ZINC000533253286 330354741 /nfs/dbraw/zinc/35/47/41/330354741.db2.gz YDZUKZZBRVAQDF-GOSISDBHSA-N 0 1 269.388 4.639 20 30 CJEDMN C=CCC[C@H](NCc1ccc(CC)o1)c1ccccc1 ZINC000533253287 330354787 /nfs/dbraw/zinc/35/47/87/330354787.db2.gz YDZUKZZBRVAQDF-SFHVURJKSA-N 0 1 269.388 4.639 20 30 CJEDMN C[C@H](c1ccccc1Cl)N(CCC(C)(C)C#N)C1CC1 ZINC000534206199 328040661 /nfs/dbraw/zinc/04/06/61/328040661.db2.gz IMJJGMISJPLFLR-CYBMUJFWSA-N 0 1 290.838 4.805 20 30 CJEDMN C[C@@H](c1ccccc1Cl)N(CCC(C)(C)C#N)C1CC1 ZINC000534206200 328040535 /nfs/dbraw/zinc/04/05/35/328040535.db2.gz IMJJGMISJPLFLR-ZDUSSCGKSA-N 0 1 290.838 4.805 20 30 CJEDMN CC(C)(C#N)CCN1Cc2ccccc2-c2ccccc2C1 ZINC000534943785 328371291 /nfs/dbraw/zinc/37/12/91/328371291.db2.gz LQMFTMYEHHWLAC-UHFFFAOYSA-N 0 1 290.410 4.609 20 30 CJEDMN C=CCCCCCN(C)Cc1ncc(-c2ccccc2C)o1 ZINC000535259571 328398759 /nfs/dbraw/zinc/39/87/59/328398759.db2.gz CTMLQCWKYADEPI-UHFFFAOYSA-N 0 1 298.430 4.828 20 30 CJEDMN Cc1ccccc1[C@H](NCc1ccccc1C#N)C(C)(C)C ZINC000537092168 330398412 /nfs/dbraw/zinc/39/84/12/330398412.db2.gz LPGRUGKIZAGSPB-IBGZPJMESA-N 0 1 292.426 4.744 20 30 CJEDMN Cc1ccccc1[C@@H](NCc1ccccc1C#N)C(C)(C)C ZINC000537092169 330398441 /nfs/dbraw/zinc/39/84/41/330398441.db2.gz LPGRUGKIZAGSPB-LJQANCHMSA-N 0 1 292.426 4.744 20 30 CJEDMN N#CC1(CN[C@H](CC2CCCCC2)c2ccccc2)CC1 ZINC000537289018 330431112 /nfs/dbraw/zinc/43/11/12/330431112.db2.gz BPNQVVIPMLTGDW-GOSISDBHSA-N 0 1 282.431 4.591 20 30 CJEDMN N#CC1(CN[C@@H](CC2CCCCC2)c2ccccc2)CC1 ZINC000537289022 330431126 /nfs/dbraw/zinc/43/11/26/330431126.db2.gz BPNQVVIPMLTGDW-SFHVURJKSA-N 0 1 282.431 4.591 20 30 CJEDMN Cc1cccc([C@H](NCc2ccccc2C#N)C(C)(C)C)c1 ZINC000538236467 333580809 /nfs/dbraw/zinc/58/08/09/333580809.db2.gz OXHYAWALOVCQQV-IBGZPJMESA-N 0 1 292.426 4.744 20 30 CJEDMN Cc1cccc([C@@H](NCc2ccccc2C#N)C(C)(C)C)c1 ZINC000538236469 333580638 /nfs/dbraw/zinc/58/06/38/333580638.db2.gz OXHYAWALOVCQQV-LJQANCHMSA-N 0 1 292.426 4.744 20 30 CJEDMN C=CC[C@H](C)[C@@H](C)N[C@H](c1ccco1)c1ccccc1OC ZINC000539057851 333652797 /nfs/dbraw/zinc/65/27/97/333652797.db2.gz LTTXVMIYJMWHFE-KHYOSLBOSA-N 0 1 299.414 4.568 20 30 CJEDMN CC(C)C[C@H](NCc1cc(C#N)ccc1F)c1ccccc1 ZINC000539243554 333662860 /nfs/dbraw/zinc/66/28/60/333662860.db2.gz PHARBZZPQBETJJ-IBGZPJMESA-N 0 1 296.389 4.574 20 30 CJEDMN CC(C)C[C@@H](NCc1cc(C#N)ccc1F)c1ccccc1 ZINC000539243564 333662998 /nfs/dbraw/zinc/66/29/98/333662998.db2.gz PHARBZZPQBETJJ-LJQANCHMSA-N 0 1 296.389 4.574 20 30 CJEDMN CC(C)C[C@H](NCc1ccc(F)cc1C#N)c1ccccc1 ZINC000539243981 333663000 /nfs/dbraw/zinc/66/30/00/333663000.db2.gz XQJJNNSHSKZRER-IBGZPJMESA-N 0 1 296.389 4.574 20 30 CJEDMN CC(C)C[C@@H](NCc1ccc(F)cc1C#N)c1ccccc1 ZINC000539243984 333662867 /nfs/dbraw/zinc/66/28/67/333662867.db2.gz XQJJNNSHSKZRER-LJQANCHMSA-N 0 1 296.389 4.574 20 30 CJEDMN CC(C)C[C@@H](NCc1cccc(C#N)c1F)c1ccccc1 ZINC000539244931 333663042 /nfs/dbraw/zinc/66/30/42/333663042.db2.gz PXCKBXBXKPKADW-GOSISDBHSA-N 0 1 296.389 4.574 20 30 CJEDMN CC(C)(C)C[C@H](NCC1(C#N)CC1)c1ccc(Cl)cc1 ZINC000539493053 333673517 /nfs/dbraw/zinc/67/35/17/333673517.db2.gz GENCKGCRZJTWSP-HNNXBMFYSA-N 0 1 290.838 4.711 20 30 CJEDMN CC(C)(C)C[C@@H](NCC1(C#N)CC1)c1ccc(Cl)cc1 ZINC000539493056 333673503 /nfs/dbraw/zinc/67/35/03/333673503.db2.gz GENCKGCRZJTWSP-OAHLLOKOSA-N 0 1 290.838 4.711 20 30 CJEDMN C=CCC[C@@H](CC)N[C@H](c1ccco1)c1ccccc1OC ZINC000540158228 333715279 /nfs/dbraw/zinc/71/52/79/333715279.db2.gz SAFQZAMACKAPQX-BEFAXECRSA-N 0 1 299.414 4.712 20 30 CJEDMN C=CCCC[C@@H](C)N[C@@H](c1nccs1)c1ccccc1 ZINC000540349444 333726606 /nfs/dbraw/zinc/72/66/06/333726606.db2.gz PZSKJRZMKGJEFY-GDBMZVCRSA-N 0 1 286.444 4.567 20 30 CJEDMN C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC(CC#N)CC1 ZINC000541025083 333759688 /nfs/dbraw/zinc/75/96/88/333759688.db2.gz XRBGKBWVNVTKMH-NSHDSACASA-N 0 1 297.229 4.680 20 30 CJEDMN C[C@@H](NCCCC#N)c1ccc(Cl)c(Cl)c1Cl ZINC000543429039 333874157 /nfs/dbraw/zinc/87/41/57/333874157.db2.gz OCJMHXSVKSFYRU-MRVPVSSYSA-N 0 1 291.609 4.601 20 30 CJEDMN C[C@H](NCCCC#N)c1ccc(Cl)c(Cl)c1Cl ZINC000543429043 333874004 /nfs/dbraw/zinc/87/40/04/333874004.db2.gz OCJMHXSVKSFYRU-QMMMGPOBSA-N 0 1 291.609 4.601 20 30 CJEDMN C=CCCC[C@@H](C)N[C@@H](C)c1nc(C2CCCCC2)no1 ZINC000543546399 333879958 /nfs/dbraw/zinc/87/99/58/333879958.db2.gz XODNSEQDFVULSN-KGLIPLIRSA-N 0 1 291.439 4.513 20 30 CJEDMN CC[C@@H](CC#N)NCc1ccc(-c2ccc(C)cc2)s1 ZINC000545872965 334003441 /nfs/dbraw/zinc/00/34/41/334003441.db2.gz SEVWOIBCIHBZFT-HNNXBMFYSA-N 0 1 284.428 4.505 20 30 CJEDMN CC[C@H](CC#N)NCc1ccc(-c2ccc(C)cc2)s1 ZINC000545872967 334003446 /nfs/dbraw/zinc/00/34/46/334003446.db2.gz SEVWOIBCIHBZFT-OAHLLOKOSA-N 0 1 284.428 4.505 20 30 CJEDMN Cc1cccc(C)c1[C@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000546936176 334056523 /nfs/dbraw/zinc/05/65/23/334056523.db2.gz YMMQBMDBGHAJPW-CABCVRRESA-N 0 1 296.389 4.726 20 30 CJEDMN Cc1cccc(C)c1[C@H](C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000546936181 334056513 /nfs/dbraw/zinc/05/65/13/334056513.db2.gz YMMQBMDBGHAJPW-GJZGRUSLSA-N 0 1 296.389 4.726 20 30 CJEDMN Cc1cccc(C)c1[C@@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000546936182 334056264 /nfs/dbraw/zinc/05/62/64/334056264.db2.gz YMMQBMDBGHAJPW-HUUCEWRRSA-N 0 1 296.389 4.726 20 30 CJEDMN C=C(C)[C@H](N[C@@H]1CCc2ccccc21)c1ccc(F)c(F)c1 ZINC000547507105 334095989 /nfs/dbraw/zinc/09/59/89/334095989.db2.gz BFWUHRFBLWRSRQ-MOPGFXCFSA-N 0 1 299.364 4.859 20 30 CJEDMN C=C(C)[C@H](N[C@H]1CCc2ccccc21)c1ccc(F)c(F)c1 ZINC000547507108 334095884 /nfs/dbraw/zinc/09/58/84/334095884.db2.gz BFWUHRFBLWRSRQ-OALUTQOASA-N 0 1 299.364 4.859 20 30 CJEDMN C=C(C)[C@@H](N[C@H]1CCc2ccccc21)c1ccc(F)c(F)c1 ZINC000547507109 334095831 /nfs/dbraw/zinc/09/58/31/334095831.db2.gz BFWUHRFBLWRSRQ-RBUKOAKNSA-N 0 1 299.364 4.859 20 30 CJEDMN C=C(C)[C@@H](N[C@@H]1CCc2ccccc21)c1ccc(F)c(F)c1 ZINC000547507110 334095901 /nfs/dbraw/zinc/09/59/01/334095901.db2.gz BFWUHRFBLWRSRQ-RTBURBONSA-N 0 1 299.364 4.859 20 30 CJEDMN C[C@H](NCCC(C)(C)C#N)c1cc(Cl)ccc1Cl ZINC000547650333 334105510 /nfs/dbraw/zinc/10/55/10/334105510.db2.gz NHPYUNNEJFDVAK-JTQLQIEISA-N 0 1 285.218 4.584 20 30 CJEDMN C[C@@H](NCCC(C)(C)C#N)c1cc(Cl)ccc1Cl ZINC000548634618 334164478 /nfs/dbraw/zinc/16/44/78/334164478.db2.gz NHPYUNNEJFDVAK-SNVBAGLBSA-N 0 1 285.218 4.584 20 30 CJEDMN Cc1ccccc1C(C)(C)NCc1ccc(Cl)cc1C#N ZINC000550262708 334218077 /nfs/dbraw/zinc/21/80/77/334218077.db2.gz ORZZXTLPLFHSDT-UHFFFAOYSA-N 0 1 298.817 4.545 20 30 CJEDMN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1Cl ZINC000550920841 334233577 /nfs/dbraw/zinc/23/35/77/334233577.db2.gz JSUQJYSSQZUJQU-KPZWWZAWSA-N 0 1 296.801 4.550 20 30 CJEDMN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccccc1Cl ZINC000550920842 334233440 /nfs/dbraw/zinc/23/34/40/334233440.db2.gz JSUQJYSSQZUJQU-SGTLLEGYSA-N 0 1 296.801 4.550 20 30 CJEDMN C=CCC[C@H](NCc1coc2ccccc12)c1ccco1 ZINC000551204472 334240750 /nfs/dbraw/zinc/24/07/50/334240750.db2.gz DCVPJUWEBVXXMO-INIZCTEOSA-N 0 1 281.355 4.823 20 30 CJEDMN C=CCC[C@@H](NCc1coc2ccccc12)c1ccco1 ZINC000551204473 334240738 /nfs/dbraw/zinc/24/07/38/334240738.db2.gz DCVPJUWEBVXXMO-MRXNPFEDSA-N 0 1 281.355 4.823 20 30 CJEDMN C=CCC[C@H](NCc1cc2ccccc2o1)c1ccco1 ZINC000552040498 334280164 /nfs/dbraw/zinc/28/01/64/334280164.db2.gz SZTCWOWUCORKJU-INIZCTEOSA-N 0 1 281.355 4.823 20 30 CJEDMN C=CCC[C@@H](NCc1cc2ccccc2o1)c1ccco1 ZINC000552040499 334280090 /nfs/dbraw/zinc/28/00/90/334280090.db2.gz SZTCWOWUCORKJU-MRXNPFEDSA-N 0 1 281.355 4.823 20 30 CJEDMN C=CCC[C@H](NCc1ccccc1OCC=C)c1ccco1 ZINC000552058133 334282729 /nfs/dbraw/zinc/28/27/29/334282729.db2.gz WRSBZYJJFQKDMP-KRWDZBQOSA-N 0 1 297.398 4.642 20 30 CJEDMN C=CCC[C@@H](NCc1ccccc1OCC=C)c1ccco1 ZINC000552058134 334282914 /nfs/dbraw/zinc/28/29/14/334282914.db2.gz WRSBZYJJFQKDMP-QGZVFWFLSA-N 0 1 297.398 4.642 20 30 CJEDMN C=CCOc1ccc(CN[C@@H](CC)c2ccccc2F)cc1 ZINC000552087686 334287854 /nfs/dbraw/zinc/28/78/54/334287854.db2.gz NXNGURQJTXWNMZ-IBGZPJMESA-N 0 1 299.389 4.631 20 30 CJEDMN C=CCOc1ccc(CN[C@H](CC)c2ccccc2F)cc1 ZINC000552087687 334287942 /nfs/dbraw/zinc/28/79/42/334287942.db2.gz NXNGURQJTXWNMZ-LJQANCHMSA-N 0 1 299.389 4.631 20 30 CJEDMN C=CCC[C@H](NCc1ccccc1OC(C)C)c1ccco1 ZINC000552234804 334306608 /nfs/dbraw/zinc/30/66/08/334306608.db2.gz KNJFAISEMWMSJJ-KRWDZBQOSA-N 0 1 299.414 4.864 20 30 CJEDMN C=CCC[C@@H](NCc1ccccc1OC(C)C)c1ccco1 ZINC000552234805 334306604 /nfs/dbraw/zinc/30/66/04/334306604.db2.gz KNJFAISEMWMSJJ-QGZVFWFLSA-N 0 1 299.414 4.864 20 30 CJEDMN C=CCC[C@@H](NCc1cnc2ccccc2c1)c1ccco1 ZINC000552252381 334308966 /nfs/dbraw/zinc/30/89/66/334308966.db2.gz LHYBTKYJPUUIRN-GOSISDBHSA-N 0 1 292.382 4.625 20 30 CJEDMN C=CCC[C@H](NCc1cnc2ccccc2c1)c1ccco1 ZINC000552252382 334309066 /nfs/dbraw/zinc/30/90/66/334309066.db2.gz LHYBTKYJPUUIRN-SFHVURJKSA-N 0 1 292.382 4.625 20 30 CJEDMN C=CCC[C@H](NCc1ccc(F)c(Cl)c1)c1ccco1 ZINC000552252751 334308944 /nfs/dbraw/zinc/30/89/44/334308944.db2.gz WCJLNQBKBGOBLX-HNNXBMFYSA-N 0 1 293.769 4.869 20 30 CJEDMN C=CCC[C@@H](NCc1ccc(F)c(Cl)c1)c1ccco1 ZINC000552252752 334309153 /nfs/dbraw/zinc/30/91/53/334309153.db2.gz WCJLNQBKBGOBLX-OAHLLOKOSA-N 0 1 293.769 4.869 20 30 CJEDMN C=CCC[C@@H](NCc1ccc2ncccc2c1)c1ccco1 ZINC000552266643 334310390 /nfs/dbraw/zinc/31/03/90/334310390.db2.gz XIWQYWZRSOAYMN-GOSISDBHSA-N 0 1 292.382 4.625 20 30 CJEDMN C=CCC[C@H](NCc1ccc2ncccc2c1)c1ccco1 ZINC000552266644 334310467 /nfs/dbraw/zinc/31/04/67/334310467.db2.gz XIWQYWZRSOAYMN-SFHVURJKSA-N 0 1 292.382 4.625 20 30 CJEDMN C=CCC[C@@H](NCc1ccc(C2CC2)cc1)c1ccco1 ZINC000552283764 334313041 /nfs/dbraw/zinc/31/30/41/334313041.db2.gz JWIQISQZXUBBAA-GOSISDBHSA-N 0 1 281.399 4.954 20 30 CJEDMN C=CCC[C@H](NCc1ccc(C2CC2)cc1)c1ccco1 ZINC000552283767 334312951 /nfs/dbraw/zinc/31/29/51/334312951.db2.gz JWIQISQZXUBBAA-SFHVURJKSA-N 0 1 281.399 4.954 20 30 CJEDMN C=CCC[C@H](NCc1ccc(Cl)cn1)c1ccccc1 ZINC000553451611 334385947 /nfs/dbraw/zinc/38/59/47/334385947.db2.gz PSDWQNVKBAOVJK-KRWDZBQOSA-N 0 1 286.806 4.532 20 30 CJEDMN C=CCC[C@@H](NCc1ccc(Cl)cn1)c1ccccc1 ZINC000553451612 334386059 /nfs/dbraw/zinc/38/60/59/334386059.db2.gz PSDWQNVKBAOVJK-QGZVFWFLSA-N 0 1 286.806 4.532 20 30 CJEDMN CC(C)(C)[C@@H](NCc1ccccc1C#N)c1cccc(F)c1 ZINC000555614589 334485041 /nfs/dbraw/zinc/48/50/41/334485041.db2.gz JACRWBHAQBMANB-SFHVURJKSA-N 0 1 296.389 4.574 20 30 CJEDMN C=CCC[C@@H](NCc1ccc(Cl)cc1)c1ccco1 ZINC000556874886 326976708 /nfs/dbraw/zinc/97/67/08/326976708.db2.gz DZXJHVVNFOFUOD-OAHLLOKOSA-N 0 1 275.779 4.730 20 30 CJEDMN C=CCC[C@@H](NCc1ccc2[nH]c(C)cc2c1)c1ccco1 ZINC000556898053 326980607 /nfs/dbraw/zinc/98/06/07/326980607.db2.gz SVMIUXFVXQHJCY-GOSISDBHSA-N 0 1 294.398 4.866 20 30 CJEDMN C=CCN(Cc1ccccc1F)[C@@H](C)c1ccccc1 ZINC000557922934 327035414 /nfs/dbraw/zinc/03/54/14/327035414.db2.gz DDNZQNUQDOHVTQ-HNNXBMFYSA-N 0 1 269.363 4.575 20 30 CJEDMN C=CCN(Cc1ccccc1F)[C@H](C)c1ccccc1 ZINC000557922935 327035303 /nfs/dbraw/zinc/03/53/03/327035303.db2.gz DDNZQNUQDOHVTQ-OAHLLOKOSA-N 0 1 269.363 4.575 20 30 CJEDMN C=CCCCCCN(C)Cc1cc(-c2cccs2)on1 ZINC000558461923 327095928 /nfs/dbraw/zinc/09/59/28/327095928.db2.gz QHGFPGSDQRMMBH-UHFFFAOYSA-N 0 1 290.432 4.581 20 30 CJEDMN C=CCC[C@H](NCc1cc(OC)ccc1F)c1ccccc1 ZINC000559282181 327154321 /nfs/dbraw/zinc/15/43/21/327154321.db2.gz IJOFPNDVTVBBFI-IBGZPJMESA-N 0 1 299.389 4.631 20 30 CJEDMN C=CCC[C@@H](NCc1cc(OC)ccc1F)c1ccccc1 ZINC000559282182 327154267 /nfs/dbraw/zinc/15/42/67/327154267.db2.gz IJOFPNDVTVBBFI-LJQANCHMSA-N 0 1 299.389 4.631 20 30 CJEDMN C=C(C)[C@H](NCc1ccsc1C)c1ccc(F)c(F)c1 ZINC000559294585 327155721 /nfs/dbraw/zinc/15/57/21/327155721.db2.gz RJJIMFGIBUCELJ-INIZCTEOSA-N 0 1 293.382 4.742 20 30 CJEDMN C=C(C)[C@@H](NCc1ccsc1C)c1ccc(F)c(F)c1 ZINC000559294588 327155820 /nfs/dbraw/zinc/15/58/20/327155820.db2.gz RJJIMFGIBUCELJ-MRXNPFEDSA-N 0 1 293.382 4.742 20 30 CJEDMN Cc1ccccc1C(C)(C)NCc1ccc(C#N)cc1Cl ZINC000559326029 327159790 /nfs/dbraw/zinc/15/97/90/327159790.db2.gz AGWLJSLVJUEEIA-UHFFFAOYSA-N 0 1 298.817 4.545 20 30 CJEDMN C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccccc1Cl ZINC000562102722 327449788 /nfs/dbraw/zinc/44/97/88/327449788.db2.gz JSUQJYSSQZUJQU-XIKOKIGWSA-N 0 1 296.801 4.550 20 30 CJEDMN C=CCC[C@@H](NCc1ccc(OCC=C)cc1)c1ccco1 ZINC000564066945 329665378 /nfs/dbraw/zinc/66/53/78/329665378.db2.gz GJDJSSDFVLAAND-GOSISDBHSA-N 0 1 297.398 4.642 20 30 CJEDMN C=CCC[C@H](NCc1ccc(OCC=C)cc1)c1ccco1 ZINC000564066946 329665341 /nfs/dbraw/zinc/66/53/41/329665341.db2.gz GJDJSSDFVLAAND-SFHVURJKSA-N 0 1 297.398 4.642 20 30 CJEDMN CC[C@H](NCc1ccc([C@H]2C[C@H]2C)o1)c1ccc(C#N)cc1 ZINC000569897388 327554424 /nfs/dbraw/zinc/55/44/24/327554424.db2.gz NYJNIFLSDUAIJQ-BVGQSLNGSA-N 0 1 294.398 4.516 20 30 CJEDMN CC[C@H](NCc1ccc([C@@H]2C[C@H]2C)o1)c1ccc(C#N)cc1 ZINC000569897393 327554391 /nfs/dbraw/zinc/55/43/91/327554391.db2.gz NYJNIFLSDUAIJQ-XWIAVFTESA-N 0 1 294.398 4.516 20 30 CJEDMN C[C@H](c1ccc(F)c(Cl)c1)N1CCC(CCC#N)CC1 ZINC000582119990 327879761 /nfs/dbraw/zinc/87/97/61/327879761.db2.gz XPXOGNBUALFRND-GFCCVEGCSA-N 0 1 294.801 4.556 20 30 CJEDMN C[C@@H](c1ccc(F)c(Cl)c1)N1CCC(CCC#N)CC1 ZINC000582119991 327879845 /nfs/dbraw/zinc/87/98/45/327879845.db2.gz XPXOGNBUALFRND-LBPRGKRZSA-N 0 1 294.801 4.556 20 30 CJEDMN