smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCC[C@H](C)[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001569437120 1085213546 /nfs/dbraw/zinc/21/35/46/1085213546.db2.gz PRDGZKALEFWOPF-AZUAARDMSA-N 2 1 347.547 2.997 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC(=C)C)C1CCCCCC1 ZINC001569449861 1085231827 /nfs/dbraw/zinc/23/18/27/1085231827.db2.gz LDEJAGRHJNLFIW-FQEVSTJZSA-N 2 1 345.531 2.801 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC(=C)C)C1CCCCCC1 ZINC001569449861 1085231837 /nfs/dbraw/zinc/23/18/37/1085231837.db2.gz LDEJAGRHJNLFIW-FQEVSTJZSA-N 2 1 345.531 2.801 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC(=C)C)C1CCCCCC1 ZINC001569449861 1085231845 /nfs/dbraw/zinc/23/18/45/1085231845.db2.gz LDEJAGRHJNLFIW-FQEVSTJZSA-N 2 1 345.531 2.801 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC(=C)C)C1CCCCCC1 ZINC001569449861 1085231854 /nfs/dbraw/zinc/23/18/54/1085231854.db2.gz LDEJAGRHJNLFIW-FQEVSTJZSA-N 2 1 345.531 2.801 10 30 EFEEMP C=CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001569451533 1085237057 /nfs/dbraw/zinc/23/70/57/1085237057.db2.gz AXMBMNOJFFDFJH-HXUWFJFHSA-N 2 1 347.547 2.996 10 30 EFEEMP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001569451533 1085237066 /nfs/dbraw/zinc/23/70/66/1085237066.db2.gz AXMBMNOJFFDFJH-HXUWFJFHSA-N 2 1 347.547 2.996 10 30 EFEEMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001569451533 1085237075 /nfs/dbraw/zinc/23/70/75/1085237075.db2.gz AXMBMNOJFFDFJH-HXUWFJFHSA-N 2 1 347.547 2.996 10 30 EFEEMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)CCC[NH+](CCC)CCC)C2)C1 ZINC001569466761 1085260956 /nfs/dbraw/zinc/26/09/56/1085260956.db2.gz DYMJLUUDCZVJJQ-NRFANRHFSA-N 2 1 347.547 2.836 10 30 EFEEMP C=CCC[NH+]1CCC(C)(NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001569578327 1085397261 /nfs/dbraw/zinc/39/72/61/1085397261.db2.gz JHXREZHIQXYBDL-UHFFFAOYSA-N 2 1 329.488 2.665 10 30 EFEEMP C=CCC[NH+]1CCC(C)(NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001569578327 1085397266 /nfs/dbraw/zinc/39/72/66/1085397266.db2.gz JHXREZHIQXYBDL-UHFFFAOYSA-N 2 1 329.488 2.665 10 30 EFEEMP C#CCN(C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)C1CC[NH+](CC(C)C)CC1 ZINC001569593900 1085417208 /nfs/dbraw/zinc/41/72/08/1085417208.db2.gz OYCOUXNKDOQXBP-UYAOXDASSA-N 2 1 345.531 2.586 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001569725945 1085563435 /nfs/dbraw/zinc/56/34/35/1085563435.db2.gz KCYDHTZAUKJZMV-QUCCMNQESA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1CC ZINC001569801142 1085616653 /nfs/dbraw/zinc/61/66/53/1085616653.db2.gz YYDOISBRRVOVBL-YVWKXTFCSA-N 2 1 343.515 2.912 10 30 EFEEMP C=C(C)C[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)c1ccccc1CC ZINC001569802439 1085619491 /nfs/dbraw/zinc/61/94/91/1085619491.db2.gz VHFLTHFDHZMMIW-FXAWDEMLSA-N 2 1 343.515 2.914 10 30 EFEEMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001569858867 1085683424 /nfs/dbraw/zinc/68/34/24/1085683424.db2.gz DIPRUYPUVGWIHF-OKYOBFRVSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001569858867 1085683428 /nfs/dbraw/zinc/68/34/28/1085683428.db2.gz DIPRUYPUVGWIHF-OKYOBFRVSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001569858867 1085683433 /nfs/dbraw/zinc/68/34/33/1085683433.db2.gz DIPRUYPUVGWIHF-OKYOBFRVSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CCCC[NH+]1C[C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001569920300 1085769627 /nfs/dbraw/zinc/76/96/27/1085769627.db2.gz YFABYKNEAPHZNL-GBESFXJTSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001569920300 1085769632 /nfs/dbraw/zinc/76/96/32/1085769632.db2.gz YFABYKNEAPHZNL-GBESFXJTSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001569920300 1085769638 /nfs/dbraw/zinc/76/96/38/1085769638.db2.gz YFABYKNEAPHZNL-GBESFXJTSA-N 2 1 333.520 2.750 10 30 EFEEMP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001569989113 1085825116 /nfs/dbraw/zinc/82/51/16/1085825116.db2.gz YPZWJZKYGKRYJZ-IAGOWNOFSA-N 2 1 341.927 2.688 10 30 EFEEMP C=CC[N@H+](C)Cc1ccccc1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001570028284 1085877988 /nfs/dbraw/zinc/87/79/88/1085877988.db2.gz QAKJYDDAVQOSOV-UHFFFAOYSA-N 2 1 331.504 2.899 10 30 EFEEMP C=CC[NH+](C)Cc1ccccc1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001570028284 1085877998 /nfs/dbraw/zinc/87/79/98/1085877998.db2.gz QAKJYDDAVQOSOV-UHFFFAOYSA-N 2 1 331.504 2.899 10 30 EFEEMP C=CC[NH+](C)Cc1ccccc1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001570028284 1085878008 /nfs/dbraw/zinc/87/80/08/1085878008.db2.gz QAKJYDDAVQOSOV-UHFFFAOYSA-N 2 1 331.504 2.899 10 30 EFEEMP C=C(C)CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001570028205 1085879152 /nfs/dbraw/zinc/87/91/52/1085879152.db2.gz NBBJSWNEZLWIFP-LJQANCHMSA-N 2 1 329.488 2.653 10 30 EFEEMP C=C(C)CC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001570028205 1085879156 /nfs/dbraw/zinc/87/91/56/1085879156.db2.gz NBBJSWNEZLWIFP-LJQANCHMSA-N 2 1 329.488 2.653 10 30 EFEEMP C=C(C)CC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001570028205 1085879158 /nfs/dbraw/zinc/87/91/58/1085879158.db2.gz NBBJSWNEZLWIFP-LJQANCHMSA-N 2 1 329.488 2.653 10 30 EFEEMP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001570043608 1085898267 /nfs/dbraw/zinc/89/82/67/1085898267.db2.gz YIBSSRYGQKFAAH-GUDVDZBRSA-N 2 1 335.536 2.949 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCCCCC)CC2)CC1 ZINC001570187096 1086032676 /nfs/dbraw/zinc/03/26/76/1086032676.db2.gz GZBVSMWYOOVAPN-FQEVSTJZSA-N 2 1 347.547 2.883 10 30 EFEEMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001570188037 1086035070 /nfs/dbraw/zinc/03/50/70/1086035070.db2.gz SUVLDPZZMHDYQH-MOPGFXCFSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001570188037 1086035081 /nfs/dbraw/zinc/03/50/81/1086035081.db2.gz SUVLDPZZMHDYQH-MOPGFXCFSA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(C)CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001570269688 1086107133 /nfs/dbraw/zinc/10/71/33/1086107133.db2.gz ZYYYLYAWHOKCHU-HXUWFJFHSA-N 2 1 343.515 2.838 10 30 EFEEMP C=CC[N@H+]1Cc2ccc(CNC(=O)CC3CC[NH+](C)CC3)cc2C1 ZINC001570314184 1086144001 /nfs/dbraw/zinc/14/40/01/1086144001.db2.gz ZYGHQBBARHVJBJ-UHFFFAOYSA-N 2 1 327.472 2.536 10 30 EFEEMP C=CC[N@@H+]1Cc2ccc(CNC(=O)CC3CC[NH+](C)CC3)cc2C1 ZINC001570314184 1086144010 /nfs/dbraw/zinc/14/40/10/1086144010.db2.gz ZYGHQBBARHVJBJ-UHFFFAOYSA-N 2 1 327.472 2.536 10 30 EFEEMP CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001570641511 1086429900 /nfs/dbraw/zinc/42/99/00/1086429900.db2.gz MTNTWQKYPFJCHV-HZPDHXFCSA-N 2 1 349.906 2.516 10 30 EFEEMP C=C(C)CC[NH+](C)[C@@H](C)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001570736104 1086490763 /nfs/dbraw/zinc/49/07/63/1086490763.db2.gz QYXIUSSBVSLGNP-MAUKXSAKSA-N 2 1 327.488 2.602 10 30 EFEEMP C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001570736104 1086490766 /nfs/dbraw/zinc/49/07/66/1086490766.db2.gz QYXIUSSBVSLGNP-MAUKXSAKSA-N 2 1 327.488 2.602 10 30 EFEEMP C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001570736104 1086490767 /nfs/dbraw/zinc/49/07/67/1086490767.db2.gz QYXIUSSBVSLGNP-MAUKXSAKSA-N 2 1 327.488 2.602 10 30 EFEEMP C#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001570812345 1086532426 /nfs/dbraw/zinc/53/24/26/1086532426.db2.gz PUOHCNHPYMMTRM-IEBWSBKVSA-N 2 1 333.520 2.681 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001570905406 1086606236 /nfs/dbraw/zinc/60/62/36/1086606236.db2.gz SIIKXFDQVHCPEX-WMZOPIPTSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CCCC[N@H+](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001571335885 1086734779 /nfs/dbraw/zinc/73/47/79/1086734779.db2.gz ALCZFGRMKRYUFP-LJQANCHMSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)C[N@H+](C)CCN(C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C(C)C ZINC001571614778 1086988972 /nfs/dbraw/zinc/98/89/72/1086988972.db2.gz SZSVWAUOLUYJEN-IBGZPJMESA-N 2 1 341.515 2.944 10 30 EFEEMP C=C(C)C[NH+](C)CCN(C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C(C)C ZINC001571614778 1086988976 /nfs/dbraw/zinc/98/89/76/1086988976.db2.gz SZSVWAUOLUYJEN-IBGZPJMESA-N 2 1 341.515 2.944 10 30 EFEEMP C=C(C)C[NH+](C)CCN(C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001571614778 1086988981 /nfs/dbraw/zinc/98/89/81/1086988981.db2.gz SZSVWAUOLUYJEN-IBGZPJMESA-N 2 1 341.515 2.944 10 30 EFEEMP C#CCC[NH2+]C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C(C)(C)C ZINC001571624050 1086994318 /nfs/dbraw/zinc/99/43/18/1086994318.db2.gz BICWNTYTHUIPFC-JKSUJKDBSA-N 2 1 332.492 2.540 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001571687152 1087049235 /nfs/dbraw/zinc/04/92/35/1087049235.db2.gz VAGGWJDMUWOPJG-MJGOQNOKSA-N 2 1 333.520 2.962 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001571687152 1087049239 /nfs/dbraw/zinc/04/92/39/1087049239.db2.gz VAGGWJDMUWOPJG-MJGOQNOKSA-N 2 1 333.520 2.962 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001571687152 1087049243 /nfs/dbraw/zinc/04/92/43/1087049243.db2.gz VAGGWJDMUWOPJG-MJGOQNOKSA-N 2 1 333.520 2.962 10 30 EFEEMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)c(F)c1 ZINC001571703214 1087076194 /nfs/dbraw/zinc/07/61/94/1087076194.db2.gz YBQRAQACRSNYSH-SFHVURJKSA-N 2 1 333.451 2.592 10 30 EFEEMP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(F)c1 ZINC001571702925 1087076649 /nfs/dbraw/zinc/07/66/49/1087076649.db2.gz NNURHNDWKDLYPK-CRAIPNDOSA-N 2 1 347.478 2.838 10 30 EFEEMP N#CC1(c2ccccc2)CC([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC001647150595 1089000688 /nfs/dbraw/zinc/00/06/88/1089000688.db2.gz FORCNSFQUVWMTM-KBWCOIMZSA-N 2 1 339.483 2.843 10 30 EFEEMP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001267062629 1092510607 /nfs/dbraw/zinc/51/06/07/1092510607.db2.gz YIPHCHFVYJDJQT-SJORKVTESA-N 2 1 332.492 2.799 10 30 EFEEMP C=CCC[C@H](C)[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001267062626 1092511157 /nfs/dbraw/zinc/51/11/57/1092511157.db2.gz YIPHCHFVYJDJQT-DLBZAZTESA-N 2 1 332.492 2.799 10 30 EFEEMP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001267094219 1092667357 /nfs/dbraw/zinc/66/73/57/1092667357.db2.gz SKYRYFGQIVEWGC-MOPGFXCFSA-N 2 1 329.488 2.712 10 30 EFEEMP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001267094219 1092667361 /nfs/dbraw/zinc/66/73/61/1092667361.db2.gz SKYRYFGQIVEWGC-MOPGFXCFSA-N 2 1 329.488 2.712 10 30 EFEEMP C=C(C)CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001267096163 1092683673 /nfs/dbraw/zinc/68/36/73/1092683673.db2.gz IONBFQCHWURIFM-FQEVSTJZSA-N 2 1 343.515 2.885 10 30 EFEEMP C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001267215771 1093222015 /nfs/dbraw/zinc/22/20/15/1093222015.db2.gz JTSZOKBFKIYQLQ-PXNSSMCTSA-N 2 1 341.499 2.529 10 30 EFEEMP C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001267215770 1093222856 /nfs/dbraw/zinc/22/28/56/1093222856.db2.gz JTSZOKBFKIYQLQ-FXAWDEMLSA-N 2 1 341.499 2.529 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](C)CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001267217187 1093227272 /nfs/dbraw/zinc/22/72/72/1093227272.db2.gz AEUSAZHPWXDGKJ-MAUKXSAKSA-N 2 1 327.488 2.602 10 30 EFEEMP C=CCC[C@H](C)[NH+](C)CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001267217187 1093227280 /nfs/dbraw/zinc/22/72/80/1093227280.db2.gz AEUSAZHPWXDGKJ-MAUKXSAKSA-N 2 1 327.488 2.602 10 30 EFEEMP C=CCC[C@H](C)[NH+](C)CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001267217187 1093227285 /nfs/dbraw/zinc/22/72/85/1093227285.db2.gz AEUSAZHPWXDGKJ-MAUKXSAKSA-N 2 1 327.488 2.602 10 30 EFEEMP C=C(C)C[N@@H+](CCC)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001267317695 1093563923 /nfs/dbraw/zinc/56/39/23/1093563923.db2.gz JCRGWHYXXPFTEO-UXHICEINSA-N 2 1 343.515 2.736 10 30 EFEEMP C=C(C)C[NH+](CCC)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001267317695 1093563927 /nfs/dbraw/zinc/56/39/27/1093563927.db2.gz JCRGWHYXXPFTEO-UXHICEINSA-N 2 1 343.515 2.736 10 30 EFEEMP C=C(C)C[NH+](CCC)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001267317695 1093563932 /nfs/dbraw/zinc/56/39/32/1093563932.db2.gz JCRGWHYXXPFTEO-UXHICEINSA-N 2 1 343.515 2.736 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CCC1=CCCCC1)C1CC1 ZINC001267327557 1093587525 /nfs/dbraw/zinc/58/75/25/1093587525.db2.gz RNXFJIAWQZMKGQ-FQEVSTJZSA-N 2 1 343.515 2.555 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CCC1=CCCCC1)C1CC1 ZINC001267327557 1093587530 /nfs/dbraw/zinc/58/75/30/1093587530.db2.gz RNXFJIAWQZMKGQ-FQEVSTJZSA-N 2 1 343.515 2.555 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC1=CCCCC1)C1CC1 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ZINC001270118260 1098715468 /nfs/dbraw/zinc/71/54/68/1098715468.db2.gz JQKIXDQHTTUIAQ-RBUKOAKNSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001267930560 1098720833 /nfs/dbraw/zinc/72/08/33/1098720833.db2.gz JMIFYESNOSMXDI-NCXUSEDFSA-N 2 1 333.520 2.987 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001481242874 1098821261 /nfs/dbraw/zinc/82/12/61/1098821261.db2.gz YWBQJVWWSJVQBF-QAPCUYQASA-N 2 1 347.890 2.547 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001481242874 1098821273 /nfs/dbraw/zinc/82/12/73/1098821273.db2.gz YWBQJVWWSJVQBF-QAPCUYQASA-N 2 1 347.890 2.547 10 30 EFEEMP C=CCC[N@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001267758407 1098858061 /nfs/dbraw/zinc/85/80/61/1098858061.db2.gz MWRFIUZFPOWCOF-LJQANCHMSA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001270249671 1098862107 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10 30 EFEEMP C=CC[NH2+]C[C@H](NC(=O)Cn1c[nH+]cc1C)c1ccc2ccccc2c1 ZINC001270369141 1099017102 /nfs/dbraw/zinc/01/71/02/1099017102.db2.gz MCOBJVLGHKFJSG-FQEVSTJZSA-N 2 1 348.450 2.978 10 30 EFEEMP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001615358164 1099157159 /nfs/dbraw/zinc/15/71/59/1099157159.db2.gz UEIZXGLDGLEOQF-SFHVURJKSA-N 2 1 349.906 2.929 10 30 EFEEMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001270511690 1099160896 /nfs/dbraw/zinc/16/08/96/1099160896.db2.gz DAPCFZARKMPHKC-OAQYLSRUSA-N 2 1 345.531 2.590 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001267789290 1099245932 /nfs/dbraw/zinc/24/59/32/1099245932.db2.gz CZCVQYGVWPNUGH-ROUUACIJSA-N 2 1 344.503 2.643 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001267789290 1099245940 /nfs/dbraw/zinc/24/59/40/1099245940.db2.gz CZCVQYGVWPNUGH-ROUUACIJSA-N 2 1 344.503 2.643 10 30 EFEEMP C=C(Cl)C[N@H+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C(C)C 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EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CCC1)C1CCCCC1 ZINC001271335347 1101401234 /nfs/dbraw/zinc/40/12/34/1101401234.db2.gz SHESRKKXAHRRQL-PMACEKPBSA-N 2 1 345.531 2.539 10 30 EFEEMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001271458207 1101986905 /nfs/dbraw/zinc/98/69/05/1101986905.db2.gz MHDMHMSVWAZAIH-IEBWSBKVSA-N 2 1 329.488 2.521 10 30 EFEEMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001271458207 1101986914 /nfs/dbraw/zinc/98/69/14/1101986914.db2.gz MHDMHMSVWAZAIH-IEBWSBKVSA-N 2 1 329.488 2.521 10 30 EFEEMP CCCCCCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001271458760 1101989022 /nfs/dbraw/zinc/98/90/22/1101989022.db2.gz PKTPOQHBBICEGC-AEFFLSMTSA-N 2 1 334.508 2.989 10 30 EFEEMP C=CCC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C1CC1 ZINC001266426924 1102004229 /nfs/dbraw/zinc/00/42/29/1102004229.db2.gz RGMXOYUSXWWEDK-RTBURBONSA-N 2 1 333.520 2.844 10 30 EFEEMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 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ZINC001673496496 1106035228 /nfs/dbraw/zinc/03/52/28/1106035228.db2.gz NDPORCJSDXAAKL-RBUKOAKNSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001673496496 1106035235 /nfs/dbraw/zinc/03/52/35/1106035235.db2.gz NDPORCJSDXAAKL-RBUKOAKNSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001673496496 1106035240 /nfs/dbraw/zinc/03/52/40/1106035240.db2.gz NDPORCJSDXAAKL-RBUKOAKNSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1Cc2ccc(CNC(=O)[C@H]3CC[NH+](C)C3)cc2C1 ZINC001673769652 1106084604 /nfs/dbraw/zinc/08/46/04/1106084604.db2.gz QNFGXMKXHMTJLC-APWZRJJASA-N 2 1 341.499 2.925 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1Cc2ccc(CNC(=O)[C@H]3CC[N@H+](C)C3)cc2C1 ZINC001673769652 1106084610 /nfs/dbraw/zinc/08/46/10/1106084610.db2.gz QNFGXMKXHMTJLC-APWZRJJASA-N 2 1 341.499 2.925 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1Cc2ccc(CNC(=O)[C@H]3CC[N@@H+](C)C3)cc2C1 ZINC001673769652 1106084616 /nfs/dbraw/zinc/08/46/16/1106084616.db2.gz QNFGXMKXHMTJLC-APWZRJJASA-N 2 1 341.499 2.925 10 30 EFEEMP C=C(C)CC[N@@H+]1Cc2ccc(CNC(=O)Cn3c[nH+]cc3C)cc2C1 ZINC001673765600 1106084756 /nfs/dbraw/zinc/08/47/56/1106084756.db2.gz TVJPVSPRINAKRW-UHFFFAOYSA-N 2 1 338.455 2.790 10 30 EFEEMP C=C(C)CC[N@H+]1Cc2ccc(CNC(=O)Cn3c[nH+]cc3C)cc2C1 ZINC001673765600 1106084760 /nfs/dbraw/zinc/08/47/60/1106084760.db2.gz TVJPVSPRINAKRW-UHFFFAOYSA-N 2 1 338.455 2.790 10 30 EFEEMP C=CCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001673986298 1106113647 /nfs/dbraw/zinc/11/36/47/1106113647.db2.gz XAKLUEDZEDRXFK-ROUUACIJSA-N 2 1 333.520 2.940 10 30 EFEEMP CC#CC[N@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001674018999 1106122218 /nfs/dbraw/zinc/12/22/18/1106122218.db2.gz RPHXZJIMKMPTEH-SJORKVTESA-N 2 1 344.503 2.637 10 30 EFEEMP CC#CC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001674018999 1106122220 /nfs/dbraw/zinc/12/22/20/1106122220.db2.gz RPHXZJIMKMPTEH-SJORKVTESA-N 2 1 344.503 2.637 10 30 EFEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[C@H]1C ZINC001674132876 1106142984 /nfs/dbraw/zinc/14/29/84/1106142984.db2.gz BSEFRBYAUORORD-IAGOWNOFSA-N 2 1 333.520 2.632 10 30 EFEEMP C#CCC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001674132876 1106142987 /nfs/dbraw/zinc/14/29/87/1106142987.db2.gz BSEFRBYAUORORD-IAGOWNOFSA-N 2 1 333.520 2.632 10 30 EFEEMP C#CCC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001674132876 1106142988 /nfs/dbraw/zinc/14/29/88/1106142988.db2.gz BSEFRBYAUORORD-IAGOWNOFSA-N 2 1 333.520 2.632 10 30 EFEEMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001674463151 1106195761 /nfs/dbraw/zinc/19/57/61/1106195761.db2.gz GRBOGBDXZGVTRM-SFHVURJKSA-N 2 1 333.520 2.586 10 30 EFEEMP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001674463151 1106195763 /nfs/dbraw/zinc/19/57/63/1106195763.db2.gz GRBOGBDXZGVTRM-SFHVURJKSA-N 2 1 333.520 2.586 10 30 EFEEMP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001674463151 1106195764 /nfs/dbraw/zinc/19/57/64/1106195764.db2.gz GRBOGBDXZGVTRM-SFHVURJKSA-N 2 1 333.520 2.586 10 30 EFEEMP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001674491918 1106204019 /nfs/dbraw/zinc/20/40/19/1106204019.db2.gz SXHLEBQSLZUDCE-WOJBJXKFSA-N 2 1 341.499 2.626 10 30 EFEEMP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001674491918 1106204021 /nfs/dbraw/zinc/20/40/21/1106204021.db2.gz SXHLEBQSLZUDCE-WOJBJXKFSA-N 2 1 341.499 2.626 10 30 EFEEMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001674491918 1106204026 /nfs/dbraw/zinc/20/40/26/1106204026.db2.gz SXHLEBQSLZUDCE-WOJBJXKFSA-N 2 1 341.499 2.626 10 30 EFEEMP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001674499657 1106206803 /nfs/dbraw/zinc/20/68/03/1106206803.db2.gz MLWQNOKJBKSCLD-MOPGFXCFSA-N 2 1 335.536 2.996 10 30 EFEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001674780539 1106255470 /nfs/dbraw/zinc/25/54/70/1106255470.db2.gz NEESYWLMUQOFLX-HOTGVXAUSA-N 2 1 349.906 2.515 10 30 EFEEMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001674780543 1106255871 /nfs/dbraw/zinc/25/58/71/1106255871.db2.gz NEESYWLMUQOFLX-JKSUJKDBSA-N 2 1 349.906 2.515 10 30 EFEEMP CCCCCCC[N@@H+]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC001675463336 1106364499 /nfs/dbraw/zinc/36/44/99/1106364499.db2.gz ZKEUQQATVKGULM-KRWDZBQOSA-N 2 1 334.508 2.989 10 30 EFEEMP CCCCCCC[N@H+]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC001675463336 1106364504 /nfs/dbraw/zinc/36/45/04/1106364504.db2.gz ZKEUQQATVKGULM-KRWDZBQOSA-N 2 1 334.508 2.989 10 30 EFEEMP C=CCCCCC[NH+]1CCCC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001675677072 1106409119 /nfs/dbraw/zinc/40/91/19/1106409119.db2.gz BVIJRILDWGOZOR-LJQANCHMSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCCCCC[N@H+]1CCCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001675677072 1106409121 /nfs/dbraw/zinc/40/91/21/1106409121.db2.gz BVIJRILDWGOZOR-LJQANCHMSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCCCCC[N@@H+]1CCCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001675677072 1106409125 /nfs/dbraw/zinc/40/91/25/1106409125.db2.gz BVIJRILDWGOZOR-LJQANCHMSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001676074790 1106480450 /nfs/dbraw/zinc/48/04/50/1106480450.db2.gz SPVDDMZFCULIRK-SFHVURJKSA-N 2 1 335.536 2.996 10 30 EFEEMP CC#CC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H]1C ZINC001676879082 1106614612 /nfs/dbraw/zinc/61/46/12/1106614612.db2.gz KNHGPVMOVSFGEV-MJGOQNOKSA-N 2 1 333.520 2.633 10 30 EFEEMP CC#CC[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@H]1C ZINC001676879082 1106614616 /nfs/dbraw/zinc/61/46/16/1106614616.db2.gz KNHGPVMOVSFGEV-MJGOQNOKSA-N 2 1 333.520 2.633 10 30 EFEEMP CC#CC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@H]1C ZINC001676879082 1106614618 /nfs/dbraw/zinc/61/46/18/1106614618.db2.gz KNHGPVMOVSFGEV-MJGOQNOKSA-N 2 1 333.520 2.633 10 30 EFEEMP CC#CC[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1(C)C ZINC001677018282 1106649066 /nfs/dbraw/zinc/64/90/66/1106649066.db2.gz AAGNCTOXABPDPW-MOPGFXCFSA-N 2 1 345.531 2.633 10 30 EFEEMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1(C)C ZINC001677018284 1106649180 /nfs/dbraw/zinc/64/91/80/1106649180.db2.gz AAGNCTOXABPDPW-RBUKOAKNSA-N 2 1 345.531 2.633 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCC(C2(NC(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC001677463515 1106722228 /nfs/dbraw/zinc/72/22/28/1106722228.db2.gz ZOHCAMLBHLVNFR-SJLPKXTDSA-N 2 1 333.520 2.796 10 30 EFEEMP C#CC[N@H+](CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1CCCCCC1 ZINC001483813467 1112480844 /nfs/dbraw/zinc/48/08/44/1112480844.db2.gz TUZJYHDVUDICJT-ICSRJNTNSA-N 2 1 347.547 2.881 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001483829265 1112489561 /nfs/dbraw/zinc/48/95/61/1112489561.db2.gz BRCPHMCSKWVKQO-PKOBYXMFSA-N 2 1 339.499 2.557 10 30 EFEEMP C=CCCCCC[N@H+]1CCC[C@]2(CCN(C(=O)Cn3ccnc3)C2)C1 ZINC001483832703 1112493559 /nfs/dbraw/zinc/49/35/59/1112493559.db2.gz MYFSYGYMCNQHTE-FQEVSTJZSA-N 2 1 344.503 2.944 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001483832972 1112493776 /nfs/dbraw/zinc/49/37/76/1112493776.db2.gz RHSJGKZWSRKSIG-FQEVSTJZSA-N 2 1 335.536 2.999 10 30 EFEEMP C#CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC[NH+](CCC(C)C)CC1 ZINC001483984478 1112630251 /nfs/dbraw/zinc/63/02/51/1112630251.db2.gz NXSQJRZDRRIZMZ-FQEVSTJZSA-N 2 1 347.547 2.832 10 30 EFEEMP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1ccc2ccccc2c1 ZINC001483992947 1112642000 /nfs/dbraw/zinc/64/20/00/1112642000.db2.gz RZLXGTIDFWNFHC-NHCUHLMSSA-N 2 1 349.478 2.562 10 30 EFEEMP C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001484163123 1112861421 /nfs/dbraw/zinc/86/14/21/1112861421.db2.gz HYDYIJJRMLVGSJ-IBGZPJMESA-N 2 1 348.491 2.534 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001484163123 1112861424 /nfs/dbraw/zinc/86/14/24/1112861424.db2.gz HYDYIJJRMLVGSJ-IBGZPJMESA-N 2 1 348.491 2.534 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001484169162 1112876256 /nfs/dbraw/zinc/87/62/56/1112876256.db2.gz TWONFJHLYIDKLV-YLJYHZDGSA-N 2 1 344.503 2.548 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001484169162 1112876260 /nfs/dbraw/zinc/87/62/60/1112876260.db2.gz TWONFJHLYIDKLV-YLJYHZDGSA-N 2 1 344.503 2.548 10 30 EFEEMP C=C(C)CC[N@H+](C)Cc1ccccc1CNC(=O)Cn1cncc1C ZINC001484555935 1113017208 /nfs/dbraw/zinc/01/72/08/1113017208.db2.gz DLSUUIMHOQAQAN-UHFFFAOYSA-N 2 1 340.471 2.906 10 30 EFEEMP C=C(C)CC[N@@H+](C)Cc1ccccc1CNC(=O)Cn1c[nH+]cc1C ZINC001484555935 1113017212 /nfs/dbraw/zinc/01/72/12/1113017212.db2.gz DLSUUIMHOQAQAN-UHFFFAOYSA-N 2 1 340.471 2.906 10 30 EFEEMP C=C(C)CC[N@H+](C)Cc1ccccc1CNC(=O)Cn1c[nH+]cc1C ZINC001484555935 1113017215 /nfs/dbraw/zinc/01/72/15/1113017215.db2.gz DLSUUIMHOQAQAN-UHFFFAOYSA-N 2 1 340.471 2.906 10 30 EFEEMP CC#CC[NH+]1CCC(CCCCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001484821131 1117755321 /nfs/dbraw/zinc/75/53/21/1117755321.db2.gz NLKFPYODKSNSET-FQEVSTJZSA-N 2 1 347.547 2.740 10 30 EFEEMP CC#CC[NH+]1CCC(CCCCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001484821064 1117755576 /nfs/dbraw/zinc/75/55/76/1117755576.db2.gz LLDZTPPGJRDRRS-UYAOXDASSA-N 2 1 347.547 2.739 10 30 EFEEMP C=CCCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001484822557 1117757598 /nfs/dbraw/zinc/75/75/98/1117757598.db2.gz GSWRDMTWBPSXOE-UXHICEINSA-N 2 1 343.515 2.836 10 30 EFEEMP C=C(C)C[NH+]1Cc2ccc(CNC(=O)C[N@@H+]3CC[C@H](C)C3)cc2C1 ZINC001484875704 1117790560 /nfs/dbraw/zinc/79/05/60/1117790560.db2.gz ODRKVWJPNXXTEW-INIZCTEOSA-N 2 1 327.472 2.536 10 30 EFEEMP C=C(C)C[N@H+]1Cc2ccc(CNC(=O)C[NH+]3CC[C@H](C)C3)cc2C1 ZINC001484875704 1117790563 /nfs/dbraw/zinc/79/05/63/1117790563.db2.gz ODRKVWJPNXXTEW-INIZCTEOSA-N 2 1 327.472 2.536 10 30 EFEEMP C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3CC[C@H](C)C3)cc2C1 ZINC001484875704 1117790567 /nfs/dbraw/zinc/79/05/67/1117790567.db2.gz ODRKVWJPNXXTEW-INIZCTEOSA-N 2 1 327.472 2.536 10 30 EFEEMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001484943911 1117871161 /nfs/dbraw/zinc/87/11/61/1117871161.db2.gz ZGYDKEVHMUMJGA-MOPGFXCFSA-N 2 1 341.499 2.529 10 30 EFEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001484943911 1117871166 /nfs/dbraw/zinc/87/11/66/1117871166.db2.gz ZGYDKEVHMUMJGA-MOPGFXCFSA-N 2 1 341.499 2.529 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001484984256 1117909162 /nfs/dbraw/zinc/90/91/62/1117909162.db2.gz ZTVAHJPADKKNAD-ROUUACIJSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCCC[NH+]1CCC2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001485011565 1117944060 /nfs/dbraw/zinc/94/40/60/1117944060.db2.gz QDHCGLSGCYMLND-IBGZPJMESA-N 2 1 347.547 2.999 10 30 EFEEMP C=C(Cl)C[N@@H+](CC)CC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001485033322 1117966736 /nfs/dbraw/zinc/96/67/36/1117966736.db2.gz DFRMJLFYRIFBMJ-KRWDZBQOSA-N 2 1 341.927 2.641 10 30 EFEEMP C=C(Cl)C[NH+](CC)CC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001485033322 1117966740 /nfs/dbraw/zinc/96/67/40/1117966740.db2.gz DFRMJLFYRIFBMJ-KRWDZBQOSA-N 2 1 341.927 2.641 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001485058843 1117997897 /nfs/dbraw/zinc/99/78/97/1117997897.db2.gz VXQFSXHAIOKJEH-CVEARBPZSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001485058843 1117997898 /nfs/dbraw/zinc/99/78/98/1117997898.db2.gz VXQFSXHAIOKJEH-CVEARBPZSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1CCC ZINC001485058843 1117997900 /nfs/dbraw/zinc/99/79/00/1117997900.db2.gz VXQFSXHAIOKJEH-CVEARBPZSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1CCC ZINC001485058843 1117997901 /nfs/dbraw/zinc/99/79/01/1117997901.db2.gz VXQFSXHAIOKJEH-CVEARBPZSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001485253240 1118169119 /nfs/dbraw/zinc/16/91/19/1118169119.db2.gz DUNGWIMKXCKVDL-HOTGVXAUSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001485479490 1118406356 /nfs/dbraw/zinc/40/63/56/1118406356.db2.gz LBSNUVOTROEWGH-IAGOWNOFSA-N 2 1 341.927 2.974 10 30 EFEEMP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001485479490 1118406358 /nfs/dbraw/zinc/40/63/58/1118406358.db2.gz LBSNUVOTROEWGH-IAGOWNOFSA-N 2 1 341.927 2.974 10 30 EFEEMP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001485479490 1118406360 /nfs/dbraw/zinc/40/63/60/1118406360.db2.gz LBSNUVOTROEWGH-IAGOWNOFSA-N 2 1 341.927 2.974 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001485479490 1118406363 /nfs/dbraw/zinc/40/63/63/1118406363.db2.gz LBSNUVOTROEWGH-IAGOWNOFSA-N 2 1 341.927 2.974 10 30 EFEEMP C=C(Cl)C[NH+]1CCCCC[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001485479491 1118406508 /nfs/dbraw/zinc/40/65/08/1118406508.db2.gz LBSNUVOTROEWGH-IRXDYDNUSA-N 2 1 341.927 2.974 10 30 EFEEMP C=C(Cl)C[NH+]1CCCCC[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001485479491 1118406510 /nfs/dbraw/zinc/40/65/10/1118406510.db2.gz LBSNUVOTROEWGH-IRXDYDNUSA-N 2 1 341.927 2.974 10 30 EFEEMP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001485479491 1118406514 /nfs/dbraw/zinc/40/65/14/1118406514.db2.gz LBSNUVOTROEWGH-IRXDYDNUSA-N 2 1 341.927 2.974 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001485479491 1118406516 /nfs/dbraw/zinc/40/65/16/1118406516.db2.gz LBSNUVOTROEWGH-IRXDYDNUSA-N 2 1 341.927 2.974 10 30 EFEEMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001485481647 1118409519 /nfs/dbraw/zinc/40/95/19/1118409519.db2.gz DXHUNPAGWQTLRJ-SFHVURJKSA-N 2 1 332.492 2.909 10 30 EFEEMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001485481647 1118409521 /nfs/dbraw/zinc/40/95/21/1118409521.db2.gz DXHUNPAGWQTLRJ-SFHVURJKSA-N 2 1 332.492 2.909 10 30 EFEEMP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001485617826 1118482195 /nfs/dbraw/zinc/48/21/95/1118482195.db2.gz AQTLVOHQCVWTKW-MKXGPGLRSA-N 2 1 333.520 2.511 10 30 EFEEMP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001485653960 1118501048 /nfs/dbraw/zinc/50/10/48/1118501048.db2.gz OXEGSJIMNKUGIY-KSZLIROESA-N 2 1 333.520 2.654 10 30 EFEEMP C=C(C)C[NH2+]CCC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001485779321 1118587771 /nfs/dbraw/zinc/58/77/71/1118587771.db2.gz ADZKLVPYRXPIED-MOPGFXCFSA-N 2 1 329.488 2.742 10 30 EFEEMP C=CCC[C@@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001272727090 1119570895 /nfs/dbraw/zinc/57/08/95/1119570895.db2.gz PRIFSBSHAFDSJN-FVVUREQNSA-N 2 1 335.536 2.946 10 30 EFEEMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CC[C@H](CSc2ccccc2)C1 ZINC000262459217 240354828 /nfs/dbraw/zinc/35/48/28/240354828.db2.gz LZEMWGRJPXYNOT-IRXDYDNUSA-N 2 1 346.544 2.770 10 30 EFEEMP C[NH+]=C(NC[C@H](C)[N@@H+](C)C1CC1)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000262001779 240338187 /nfs/dbraw/zinc/33/81/87/240338187.db2.gz UMQFEYDQROOVQL-WMLDXEAASA-N 2 1 344.503 2.937 10 30 EFEEMP C[NH+]=C(NC[C@H]1CCC[N@H+]1C)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000261694967 240318039 /nfs/dbraw/zinc/31/80/39/240318039.db2.gz IVGVUEGXTILLCD-HZSPNIEDSA-N 2 1 334.430 2.614 10 30 EFEEMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000113323925 544569953 /nfs/dbraw/zinc/56/99/53/544569953.db2.gz QXNXQSXJXCKZIN-QGZVFWFLSA-N 2 1 337.471 2.895 10 30 EFEEMP C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000118398832 290219921 /nfs/dbraw/zinc/21/99/21/290219921.db2.gz RIJWRHUWRYCLQV-XLIONFOSSA-N 2 1 326.488 2.721 10 30 EFEEMP C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000118398832 290219928 /nfs/dbraw/zinc/21/99/28/290219928.db2.gz RIJWRHUWRYCLQV-XLIONFOSSA-N 2 1 326.488 2.721 10 30 EFEEMP C=CC[C@H]1CCN(C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)C1 ZINC000628492124 479920845 /nfs/dbraw/zinc/92/08/45/479920845.db2.gz OKMNSVDWNFXKLZ-KRWDZBQOSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105897330 472801294 /nfs/dbraw/zinc/80/12/94/472801294.db2.gz HRLQRNMVEZRSGO-IRXDYDNUSA-N 2 1 330.476 2.672 10 30 EFEEMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105897330 472801299 /nfs/dbraw/zinc/80/12/99/472801299.db2.gz HRLQRNMVEZRSGO-IRXDYDNUSA-N 2 1 330.476 2.672 10 30 EFEEMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cccc(C#N)c2)[C@H](C)C1 ZINC000079461104 472868310 /nfs/dbraw/zinc/86/83/10/472868310.db2.gz UUAIHQRYACQRGN-QAPCUYQASA-N 2 1 328.460 2.549 10 30 EFEEMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2cccc(C#N)c2)[C@H](C)C1 ZINC000079461104 472868314 /nfs/dbraw/zinc/86/83/14/472868314.db2.gz UUAIHQRYACQRGN-QAPCUYQASA-N 2 1 328.460 2.549 10 30 EFEEMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)[C@H](C)C1 ZINC000079461104 472868318 /nfs/dbraw/zinc/86/83/18/472868318.db2.gz UUAIHQRYACQRGN-QAPCUYQASA-N 2 1 328.460 2.549 10 30 EFEEMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cnc4ccc(C#N)cn34)C2)[nH+]1 ZINC000092813152 472991137 /nfs/dbraw/zinc/99/11/37/472991137.db2.gz QWOAYZQPAZAQBX-QGZVFWFLSA-N 2 1 346.438 2.843 10 30 EFEEMP COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178294393 473484992 /nfs/dbraw/zinc/48/49/92/473484992.db2.gz ZMKKDPGMKZDLJK-KRWDZBQOSA-N 2 1 340.427 2.615 10 30 EFEEMP COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178294393 473484998 /nfs/dbraw/zinc/48/49/98/473484998.db2.gz ZMKKDPGMKZDLJK-KRWDZBQOSA-N 2 1 340.427 2.615 10 30 EFEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000178745961 473553686 /nfs/dbraw/zinc/55/36/86/473553686.db2.gz RYNWLVJDDCVXCF-QGZVFWFLSA-N 2 1 337.427 2.556 10 30 EFEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000178745961 473553692 /nfs/dbraw/zinc/55/36/92/473553692.db2.gz RYNWLVJDDCVXCF-QGZVFWFLSA-N 2 1 337.427 2.556 10 30 EFEEMP CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183672856 474409217 /nfs/dbraw/zinc/40/92/17/474409217.db2.gz DHSCWJYCHWRHAM-OAHLLOKOSA-N 2 1 339.443 2.594 10 30 EFEEMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2OC)[C@H](C)C1 ZINC000190004253 474534464 /nfs/dbraw/zinc/53/44/64/474534464.db2.gz CSGZJICAXRQWTB-VQIMIIECSA-N 2 1 345.487 2.793 10 30 EFEEMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2OC)[C@H](C)C1 ZINC000190004253 474534469 /nfs/dbraw/zinc/53/44/69/474534469.db2.gz CSGZJICAXRQWTB-VQIMIIECSA-N 2 1 345.487 2.793 10 30 EFEEMP N#CCCOCC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000339008896 474829158 /nfs/dbraw/zinc/82/91/58/474829158.db2.gz BLANYRMTXHOLFY-FQEVSTJZSA-N 2 1 327.472 2.905 10 30 EFEEMP N#CCCOCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000339008896 474829159 /nfs/dbraw/zinc/82/91/59/474829159.db2.gz BLANYRMTXHOLFY-FQEVSTJZSA-N 2 1 327.472 2.905 10 30 EFEEMP N#CCCOCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000339008896 474829164 /nfs/dbraw/zinc/82/91/64/474829164.db2.gz BLANYRMTXHOLFY-FQEVSTJZSA-N 2 1 327.472 2.905 10 30 EFEEMP N#CCCOCC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000339008896 474829171 /nfs/dbraw/zinc/82/91/71/474829171.db2.gz BLANYRMTXHOLFY-FQEVSTJZSA-N 2 1 327.472 2.905 10 30 EFEEMP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292251361 474924132 /nfs/dbraw/zinc/92/41/32/474924132.db2.gz XSADPSJLMOCXKK-UGSOOPFHSA-N 2 1 346.862 2.566 10 30 EFEEMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCCn3cc(C)nc32)C1 ZINC000328660864 475051396 /nfs/dbraw/zinc/05/13/96/475051396.db2.gz WCPZBWPBINALAI-DLBZAZTESA-N 2 1 347.507 2.647 10 30 EFEEMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(C#N)cc1F ZINC000358556360 475768240 /nfs/dbraw/zinc/76/82/40/475768240.db2.gz ARGCBKAWWMNGQA-HNNXBMFYSA-N 2 1 332.467 2.622 10 30 EFEEMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358564039 475774065 /nfs/dbraw/zinc/77/40/65/475774065.db2.gz WOGLNRKIZWGNGJ-INIZCTEOSA-N 2 1 332.467 2.766 10 30 EFEEMP CNC(NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)=[NH+]C ZINC000363433151 476381601 /nfs/dbraw/zinc/38/16/01/476381601.db2.gz VWLNSNKLANREJT-DZGCQCFKSA-N 2 1 342.409 2.883 10 30 EFEEMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000445521933 476747498 /nfs/dbraw/zinc/74/74/98/476747498.db2.gz CIPCYFIBBUYDDH-UHFFFAOYSA-N 2 1 326.488 2.550 10 30 EFEEMP C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1c[nH+]ccc1N ZINC000423059843 476910630 /nfs/dbraw/zinc/91/06/30/476910630.db2.gz MXGAHIKMNWNZMW-IUDNXUCKSA-N 2 1 337.427 2.802 10 30 EFEEMP N#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cccnc3N3CCCC3)C2)nc1 ZINC000408524210 476965871 /nfs/dbraw/zinc/96/58/71/476965871.db2.gz YVKOHKUKFBCILU-GOSISDBHSA-N 2 1 349.438 2.602 10 30 EFEEMP N#Cc1ccc(C[N@H+]2CC[C@@H](Oc3cccnc3N3CCCC3)C2)nc1 ZINC000408524210 476965877 /nfs/dbraw/zinc/96/58/77/476965877.db2.gz YVKOHKUKFBCILU-GOSISDBHSA-N 2 1 349.438 2.602 10 30 EFEEMP C=CC1CC[NH+](CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000532965588 478013921 /nfs/dbraw/zinc/01/39/21/478013921.db2.gz DVCWRSOBDNNGQI-GOSISDBHSA-N 2 1 341.499 2.790 10 30 EFEEMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H]([NH3+])CCCCC#N)c1 ZINC000594437688 478386884 /nfs/dbraw/zinc/38/68/84/478386884.db2.gz KSWLMEIRPCCBMT-GOSISDBHSA-N 2 1 330.476 2.554 10 30 EFEEMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[C@H]1c1cccs1 ZINC000594437714 478387306 /nfs/dbraw/zinc/38/73/06/478387306.db2.gz DPULPPQVHIZGCI-INMHGKMJSA-N 2 1 348.516 2.658 10 30 EFEEMP C[C@H]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000594437752 478387421 /nfs/dbraw/zinc/38/74/21/478387421.db2.gz FCDJTLGCSPKPFT-PKOBYXMFSA-N 2 1 342.487 2.521 10 30 EFEEMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@@H]([NH3+])CCCCC#N)cc1 ZINC000594439813 478388354 /nfs/dbraw/zinc/38/83/54/478388354.db2.gz VKOUWERIBKBYGJ-KDOFPFPSSA-N 2 1 339.443 2.769 10 30 EFEEMP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000594440708 478389108 /nfs/dbraw/zinc/38/91/08/478389108.db2.gz HVBQQLBOWRLLPZ-RBUKOAKNSA-N 2 1 342.487 2.569 10 30 EFEEMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594441309 478391367 /nfs/dbraw/zinc/39/13/67/478391367.db2.gz QSOHJZRQCWNULW-SFHVURJKSA-N 2 1 330.476 2.554 10 30 EFEEMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594499638 478413675 /nfs/dbraw/zinc/41/36/75/478413675.db2.gz OOGFQGSZRSVNQP-UHFFFAOYSA-N 2 1 342.531 2.851 10 30 EFEEMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600721948 478485438 /nfs/dbraw/zinc/48/54/38/478485438.db2.gz DARBHZQETGQEHT-LPHOPBHVSA-N 2 1 327.472 2.856 10 30 EFEEMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CC2(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000600729933 478491866 /nfs/dbraw/zinc/49/18/66/478491866.db2.gz NVVHISCHCFAJKO-NZSAHSFTSA-N 2 1 327.472 2.684 10 30 EFEEMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CC2(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000600729933 478491877 /nfs/dbraw/zinc/49/18/77/478491877.db2.gz NVVHISCHCFAJKO-NZSAHSFTSA-N 2 1 327.472 2.684 10 30 EFEEMP N#Cc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c(F)c1 ZINC000594973551 478614035 /nfs/dbraw/zinc/61/40/35/478614035.db2.gz FVXANYKIFMAPMQ-IBGZPJMESA-N 2 1 339.414 2.554 10 30 EFEEMP CC(C)(C#N)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000594992573 478620908 /nfs/dbraw/zinc/62/09/08/478620908.db2.gz GVLPCKHWIMBAKY-LJQANCHMSA-N 2 1 327.472 2.831 10 30 EFEEMP N#CC1(C[C@@H](O)C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000528501270 478805894 /nfs/dbraw/zinc/80/58/94/478805894.db2.gz CYLWGQLIOKZZDN-TZIWHRDSSA-N 2 1 339.483 2.639 10 30 EFEEMP N#CC1(C[C@@H](O)C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000528501270 478805900 /nfs/dbraw/zinc/80/59/00/478805900.db2.gz CYLWGQLIOKZZDN-TZIWHRDSSA-N 2 1 339.483 2.639 10 30 EFEEMP N#CC1(C[C@@H](O)C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000528501270 478805910 /nfs/dbraw/zinc/80/59/10/478805910.db2.gz CYLWGQLIOKZZDN-TZIWHRDSSA-N 2 1 339.483 2.639 10 30 EFEEMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)CCO2 ZINC000592185115 478817809 /nfs/dbraw/zinc/81/78/09/478817809.db2.gz RXTNXOZESRLNFO-UHFFFAOYSA-N 2 1 327.472 2.784 10 30 EFEEMP C[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CC1(C)C ZINC000598979824 479112534 /nfs/dbraw/zinc/11/25/34/479112534.db2.gz DCUIGOVAZUJKJJ-FQEVSTJZSA-N 2 1 340.515 2.985 10 30 EFEEMP C[C@H]([NH2+]C[C@H](O)CC1(C#N)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000599365527 479270330 /nfs/dbraw/zinc/27/03/30/479270330.db2.gz FATKXACTFPMNOW-QXAKKESOSA-N 2 1 327.472 2.541 10 30 EFEEMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(C2(C#N)CC2)cc1 ZINC000597030710 479542604 /nfs/dbraw/zinc/54/26/04/479542604.db2.gz VBBGTUSFRVSIEP-HSALFYBXSA-N 2 1 339.483 2.925 10 30 EFEEMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)CCO1 ZINC000597248384 479643636 /nfs/dbraw/zinc/64/36/36/479643636.db2.gz SAOSUBLGBFUWEQ-HXUWFJFHSA-N 2 1 345.487 2.912 10 30 EFEEMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CCO1 ZINC000597248384 479643641 /nfs/dbraw/zinc/64/36/41/479643641.db2.gz SAOSUBLGBFUWEQ-HXUWFJFHSA-N 2 1 345.487 2.912 10 30 EFEEMP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(C(C)(C)C#N)cc3)CC2)C1 ZINC000614175428 480216749 /nfs/dbraw/zinc/21/67/49/480216749.db2.gz NHTLLACBWXSFCR-FQEVSTJZSA-N 2 1 340.515 2.700 10 30 EFEEMP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(C(C)(C)C#N)cc3)CC2)C1 ZINC000614175428 480216757 /nfs/dbraw/zinc/21/67/57/480216757.db2.gz NHTLLACBWXSFCR-FQEVSTJZSA-N 2 1 340.515 2.700 10 30 EFEEMP C=CCOc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000650705875 481274023 /nfs/dbraw/zinc/27/40/23/481274023.db2.gz ZKBIHOIEBXCGAF-CMKODMSKSA-N 2 1 330.472 2.970 10 30 EFEEMP C=CC[C@]1(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CCC[NH2+]1 ZINC000662663259 481921649 /nfs/dbraw/zinc/92/16/49/481921649.db2.gz GNWHZAWXNRMKBF-FUHWJXTLSA-N 2 1 335.879 2.757 10 30 EFEEMP C=CC[C@]1(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)CCC[NH2+]1 ZINC000662672168 481926174 /nfs/dbraw/zinc/92/61/74/481926174.db2.gz XCNVUOYOYLZBCU-HXUWFJFHSA-N 2 1 345.462 2.558 10 30 EFEEMP C=CC[C@]1(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)CCC[NH2+]1 ZINC000662672168 481926182 /nfs/dbraw/zinc/92/61/82/481926182.db2.gz XCNVUOYOYLZBCU-HXUWFJFHSA-N 2 1 345.462 2.558 10 30 EFEEMP C=CC[C@]1(C(=O)NC[C@H](CC)[N@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000662678943 481930981 /nfs/dbraw/zinc/93/09/81/481930981.db2.gz KRPSZUPQCAPMTM-PZJWPPBQSA-N 2 1 341.499 2.638 10 30 EFEEMP C=CC[C@@]1(C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)CCC[NH2+]1 ZINC000662696121 481937713 /nfs/dbraw/zinc/93/77/13/481937713.db2.gz SWYRRQQAGVVYTD-IBGZPJMESA-N 2 1 342.418 2.634 10 30 EFEEMP C=CC[C@]1(C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)CCC[NH2+]1 ZINC000662696412 481938565 /nfs/dbraw/zinc/93/85/65/481938565.db2.gz ZTLJPSSZRDVYME-HXUWFJFHSA-N 2 1 329.488 2.841 10 30 EFEEMP C=CC[C@@]1(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CCC[NH2+]1 ZINC000662698211 481940295 /nfs/dbraw/zinc/94/02/95/481940295.db2.gz JTMWWJQIJVGHOD-APWZRJJASA-N 2 1 347.528 2.775 10 30 EFEEMP C=CC[C@]1(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662729149 481952671 /nfs/dbraw/zinc/95/26/71/481952671.db2.gz KRSZZZLWELPHOH-TZIWHRDSSA-N 2 1 341.499 2.665 10 30 EFEEMP C=CC[C@]1(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662805554 481978267 /nfs/dbraw/zinc/97/82/67/481978267.db2.gz YVXIFJJYRBWYCJ-YFVAEKQCSA-N 2 1 341.499 2.712 10 30 EFEEMP Cc1cccc(NC[C@H]2CC[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)[nH+]1 ZINC000246060086 524684374 /nfs/dbraw/zinc/68/43/74/524684374.db2.gz RDTNLCBNLCYPJB-IEBWSBKVSA-N 2 1 336.439 2.729 10 30 EFEEMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)[nH+]1 ZINC000246060086 524684384 /nfs/dbraw/zinc/68/43/84/524684384.db2.gz RDTNLCBNLCYPJB-IEBWSBKVSA-N 2 1 336.439 2.729 10 30 EFEEMP N#Cc1ccc2ncc(C[NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)n2c1 ZINC000192928348 526693984 /nfs/dbraw/zinc/69/39/84/526693984.db2.gz DSYGLSXCRHMKJY-LJQANCHMSA-N 2 1 345.450 2.818 10 30 EFEEMP CCO[C@@H]1C[C@H](NC(NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)=[NH+]C)C12CCC2 ZINC000246326128 535455080 /nfs/dbraw/zinc/45/50/80/535455080.db2.gz FXCORWZNALXWQD-OOHRUWKFSA-N 2 1 348.535 2.514 10 30 EFEEMP CC#CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001691306921 1248641172 /nfs/dbraw/zinc/64/11/72/1248641172.db2.gz ZAISRIQSYNCOKB-QZTJIDSGSA-N 2 1 344.503 2.637 10 30 EFEEMP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001691370208 1248705774 /nfs/dbraw/zinc/70/57/74/1248705774.db2.gz HVNQECDBOXWAMV-NJAFHUGGSA-N 2 1 344.503 2.547 10 30 EFEEMP C=CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001267175942 1248877118 /nfs/dbraw/zinc/87/71/18/1248877118.db2.gz WDEVAZSSWFSPIQ-MSOLQXFVSA-N 2 1 344.503 2.691 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001267175942 1248877124 /nfs/dbraw/zinc/87/71/24/1248877124.db2.gz WDEVAZSSWFSPIQ-MSOLQXFVSA-N 2 1 344.503 2.691 10 30 EFEEMP C=CC[N@@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)CC[NH+](C)C)C1 ZINC001481508248 1249670780 /nfs/dbraw/zinc/67/07/80/1249670780.db2.gz HQBJDFMJBGQAQW-LJQANCHMSA-N 2 1 329.488 2.617 10 30 EFEEMP C=C(Cl)C[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)C(C)C ZINC001691767092 1247783248 /nfs/dbraw/zinc/78/32/48/1247783248.db2.gz JZXZMUYNRXIZRX-HZPDHXFCSA-N 2 1 329.916 2.828 10 30 EFEEMP C=C(C)CC[N@@H+](C)CCCN(C)C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1 ZINC001772542003 1248275690 /nfs/dbraw/zinc/27/56/90/1248275690.db2.gz VODOWFSXRAZEFE-SFHVURJKSA-N 2 1 347.507 2.537 10 30 EFEEMP C=C(C)CC[N@H+](C)CCCN(C)C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1 ZINC001772542003 1248275702 /nfs/dbraw/zinc/27/57/02/1248275702.db2.gz VODOWFSXRAZEFE-SFHVURJKSA-N 2 1 347.507 2.537 10 30 EFEEMP C=C(C)CC[NH+](C)CCCN(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001772542003 1248275712 /nfs/dbraw/zinc/27/57/12/1248275712.db2.gz VODOWFSXRAZEFE-SFHVURJKSA-N 2 1 347.507 2.537 10 30 EFEEMP C=C(C)CC[NH+](C)CCCN(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001772542003 1248275720 /nfs/dbraw/zinc/27/57/20/1248275720.db2.gz VODOWFSXRAZEFE-SFHVURJKSA-N 2 1 347.507 2.537 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CC/C=C/CCC)CC1 ZINC001691075520 1248363330 /nfs/dbraw/zinc/36/33/30/1248363330.db2.gz TYXPUYZHUDDRSO-AQKVLALTSA-N 2 1 345.531 2.611 10 30 EFEEMP C=C(C)CC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001692013489 1248500534 /nfs/dbraw/zinc/50/05/34/1248500534.db2.gz GMVUMOMZNBBBSQ-IBGZPJMESA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001692013489 1248500541 /nfs/dbraw/zinc/50/05/41/1248500541.db2.gz GMVUMOMZNBBBSQ-IBGZPJMESA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001692013489 1248500549 /nfs/dbraw/zinc/50/05/49/1248500549.db2.gz GMVUMOMZNBBBSQ-IBGZPJMESA-N 2 1 335.536 2.997 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](CCCC(C)(C)C)C2)CC1 ZINC001691170982 1248501384 /nfs/dbraw/zinc/50/13/84/1248501384.db2.gz KYGQUSRHQPTLJU-SFHVURJKSA-N 2 1 347.547 2.596 10 30 EFEEMP C=CCC[C@H](C)[N@H+](C)CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001692017263 1248516780 /nfs/dbraw/zinc/51/67/80/1248516780.db2.gz XBHQCLWMHUZPOT-INIZCTEOSA-N 2 1 332.492 2.717 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](C)CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001692017263 1248516790 /nfs/dbraw/zinc/51/67/90/1248516790.db2.gz XBHQCLWMHUZPOT-INIZCTEOSA-N 2 1 332.492 2.717 10 30 EFEEMP C=C(C)CC[N@H+](CCC)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001691191377 1248521538 /nfs/dbraw/zinc/52/15/38/1248521538.db2.gz YIWKHXZXYOGEQM-QGZVFWFLSA-N 2 1 332.492 2.548 10 30 EFEEMP C=C(C)CC[N@@H+](CCC)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001691191377 1248521547 /nfs/dbraw/zinc/52/15/47/1248521547.db2.gz YIWKHXZXYOGEQM-QGZVFWFLSA-N 2 1 332.492 2.548 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001691554657 1251768512 /nfs/dbraw/zinc/76/85/12/1251768512.db2.gz PXEGZXOSAYIHFZ-MOPGFXCFSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001484128295 1252307740 /nfs/dbraw/zinc/30/77/40/1252307740.db2.gz ODHMQLGCVJSXEN-AZUAARDMSA-N 2 1 329.488 2.694 10 30 EFEEMP C=CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001484390786 1252498806 /nfs/dbraw/zinc/49/88/06/1252498806.db2.gz UCZAYLHRNKJHKU-OKYOBFRVSA-N 2 1 333.520 2.654 10 30 EFEEMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001484390786 1252498810 /nfs/dbraw/zinc/49/88/10/1252498810.db2.gz UCZAYLHRNKJHKU-OKYOBFRVSA-N 2 1 333.520 2.654 10 30 EFEEMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001484390786 1252498816 /nfs/dbraw/zinc/49/88/16/1252498816.db2.gz UCZAYLHRNKJHKU-OKYOBFRVSA-N 2 1 333.520 2.654 10 30 EFEEMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001484390669 1252499007 /nfs/dbraw/zinc/49/90/07/1252499007.db2.gz RKQZFIBIEZLVBA-FCGDIQPGSA-N 2 1 335.536 2.898 10 30 EFEEMP C=C(C)CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001484399723 1252537384 /nfs/dbraw/zinc/53/73/84/1252537384.db2.gz UAYHEUZQHPFIFC-IBGZPJMESA-N 2 1 329.488 2.665 10 30 EFEEMP C=CCC[NH+]1C[C@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)C[C@H]2C1 ZINC001484409968 1252548300 /nfs/dbraw/zinc/54/83/00/1252548300.db2.gz LTSUBJJWGKERJP-HDICACEKSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)C[C@H]2C1 ZINC001484409968 1252548309 /nfs/dbraw/zinc/54/83/09/1252548309.db2.gz LTSUBJJWGKERJP-HDICACEKSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCC[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)C[C@H]2C1 ZINC001484409968 1252548316 /nfs/dbraw/zinc/54/83/16/1252548316.db2.gz LTSUBJJWGKERJP-HDICACEKSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC001484411146 1252552147 /nfs/dbraw/zinc/55/21/47/1252552147.db2.gz AKLCZYIBRIMMRL-GBESFXJTSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001484455028 1252627713 /nfs/dbraw/zinc/62/77/13/1252627713.db2.gz HVRZZXXESOHGHT-QRVBRYPASA-N 2 1 333.520 2.891 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001484455028 1252627723 /nfs/dbraw/zinc/62/77/23/1252627723.db2.gz HVRZZXXESOHGHT-QRVBRYPASA-N 2 1 333.520 2.891 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001484455028 1252627735 /nfs/dbraw/zinc/62/77/35/1252627735.db2.gz HVRZZXXESOHGHT-QRVBRYPASA-N 2 1 333.520 2.891 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC/C=C\CC ZINC001484460315 1252650981 /nfs/dbraw/zinc/65/09/81/1252650981.db2.gz OKCCRCPOZGCSHW-ZOYAEOFMSA-N 2 1 343.515 2.506 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC/C=C\CC ZINC001484460315 1252650994 /nfs/dbraw/zinc/65/09/94/1252650994.db2.gz OKCCRCPOZGCSHW-ZOYAEOFMSA-N 2 1 343.515 2.506 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC/C=C\CC ZINC001484460315 1252651002 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MRQFKJUYXKRZEC-QAPCUYQASA-N 2 1 327.488 2.650 10 30 EFEEMP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001485827533 1257000290 /nfs/dbraw/zinc/00/02/90/1257000290.db2.gz PLCLUDAWSRNRDE-APWZRJJASA-N 2 1 339.499 2.602 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001670918662 1258606955 /nfs/dbraw/zinc/60/69/55/1258606955.db2.gz LJSRZYYLYHECPB-LJQANCHMSA-N 2 1 335.536 2.855 10 30 EFEEMP C#CCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCCCC1 ZINC001670976857 1259259409 /nfs/dbraw/zinc/25/94/09/1259259409.db2.gz HDVHQRHSAFPKNX-OALUTQOASA-N 2 1 347.547 2.881 10 30 EFEEMP C#CCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CCCCCC1 ZINC001670976857 1259259412 /nfs/dbraw/zinc/25/94/12/1259259412.db2.gz HDVHQRHSAFPKNX-OALUTQOASA-N 2 1 347.547 2.881 10 30 EFEEMP C#CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CCCCCC1 ZINC001670976857 1259259415 /nfs/dbraw/zinc/25/94/15/1259259415.db2.gz HDVHQRHSAFPKNX-OALUTQOASA-N 2 1 347.547 2.881 10 30 EFEEMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001670985192 1259320245 /nfs/dbraw/zinc/32/02/45/1259320245.db2.gz OPTQZGKIRKCNIN-UHFFFAOYSA-N 2 1 345.531 2.587 10 30 EFEEMP C=CCC[N@@H+](CC1CC1)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001670989182 1259347377 /nfs/dbraw/zinc/34/73/77/1259347377.db2.gz LHAKWJUTSJCILG-UHFFFAOYSA-N 2 1 347.547 2.997 10 30 EFEEMP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001485921974 1262501512 /nfs/dbraw/zinc/50/15/12/1262501512.db2.gz FYKWQYMMKPCKKG-MAUKXSAKSA-N 2 1 327.488 2.602 10 30 EFEEMP C#CCC[NH2+]C[C@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C(C)(C)C ZINC001486404087 1263054786 /nfs/dbraw/zinc/05/47/86/1263054786.db2.gz XVRIOJTXFITCLT-KRWDZBQOSA-N 2 1 335.536 2.783 10 30 EFEEMP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001486442075 1263155294 /nfs/dbraw/zinc/15/52/94/1263155294.db2.gz BWCNWBBYILNJCF-GOSISDBHSA-N 2 1 343.515 2.911 10 30 EFEEMP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001486442075 1263155302 /nfs/dbraw/zinc/15/53/02/1263155302.db2.gz BWCNWBBYILNJCF-GOSISDBHSA-N 2 1 343.515 2.911 10 30 EFEEMP C=CCCC[NH+]1CCC(C2(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001486490114 1263233993 /nfs/dbraw/zinc/23/39/93/1263233993.db2.gz HNNJKRGBUGVLAY-KRWDZBQOSA-N 2 1 333.520 2.655 10 30 EFEEMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c(F)c1 ZINC001486524298 1263327496 /nfs/dbraw/zinc/32/74/96/1263327496.db2.gz XLLJVFNNCUZAEI-SFHVURJKSA-N 2 1 333.451 2.590 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)(C)C ZINC001411214808 1272029404 /nfs/dbraw/zinc/02/94/04/1272029404.db2.gz VJOPLMUTVHUHPK-HUUCEWRRSA-N 2 1 329.916 2.732 10 30 EFEEMP C#CC[C@H](Cc1ccccc1)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000819306010 1276711966 /nfs/dbraw/zinc/71/19/66/1276711966.db2.gz YPYXJSRKHOOPCK-YADHBBJMSA-N 2 1 336.479 2.704 10 30 EFEEMP C#CC[C@H](Cc1ccccc1)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000819306010 1276711977 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SDSVXGYGJHFKGT-MRXNPFEDSA-N 2 1 327.900 2.571 10 30 EFEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000876941330 1291080451 /nfs/dbraw/zinc/08/04/51/1291080451.db2.gz KHAWZURYLJXUSG-WBVHZDCISA-N 2 1 341.927 2.959 10 30 EFEEMP C#CCCCCC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000878089504 1291488613 /nfs/dbraw/zinc/48/86/13/1291488613.db2.gz HAPQYYGGSXHCRM-UHFFFAOYSA-N 2 1 327.516 2.930 10 30 EFEEMP C=CCC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001273599023 1292115974 /nfs/dbraw/zinc/11/59/74/1292115974.db2.gz MSFZZGJKDOSMTL-OALUTQOASA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001273599023 1292115977 /nfs/dbraw/zinc/11/59/77/1292115977.db2.gz MSFZZGJKDOSMTL-OALUTQOASA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001273599023 1292115983 /nfs/dbraw/zinc/11/59/83/1292115983.db2.gz MSFZZGJKDOSMTL-OALUTQOASA-N 2 1 335.536 2.855 10 30 EFEEMP C#CC[N@H+](C)CCC[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC001202603499 1293821270 /nfs/dbraw/zinc/82/12/70/1293821270.db2.gz SARWEYHFPCZVAA-UHFFFAOYSA-N 2 1 349.272 2.770 10 30 EFEEMP C#CC[N@@H+](C)CCC[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC001202603499 1293821279 /nfs/dbraw/zinc/82/12/79/1293821279.db2.gz SARWEYHFPCZVAA-UHFFFAOYSA-N 2 1 349.272 2.770 10 30 EFEEMP C=CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001273789376 1295773009 /nfs/dbraw/zinc/77/30/09/1295773009.db2.gz HEWUUWMCDHPMRK-ROUUACIJSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001273789370 1295773059 /nfs/dbraw/zinc/77/30/59/1295773059.db2.gz HEWUUWMCDHPMRK-MSOLQXFVSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCCC[N@H+](CC)CC1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001274955985 1296219865 /nfs/dbraw/zinc/21/98/65/1296219865.db2.gz UVJUIZIBPINMHC-SFHVURJKSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCCC[NH+](CC)CC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001274955985 1296219868 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10 30 EFEEMP C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001489094859 1298056530 /nfs/dbraw/zinc/05/65/30/1298056530.db2.gz YWVBMFLCXMXAJW-WOJBJXKFSA-N 2 1 343.515 2.879 10 30 EFEEMP C=CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001489094859 1298056543 /nfs/dbraw/zinc/05/65/43/1298056543.db2.gz YWVBMFLCXMXAJW-WOJBJXKFSA-N 2 1 343.515 2.879 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001489203258 1298116428 /nfs/dbraw/zinc/11/64/28/1298116428.db2.gz ZTQSCUYQGJXZGI-ZCNNSNEGSA-N 2 1 347.547 2.997 10 30 EFEEMP CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001489231243 1298143322 /nfs/dbraw/zinc/14/33/22/1298143322.db2.gz KWAJKIDCBCFRCX-AZUAARDMSA-N 2 1 345.531 2.778 10 30 EFEEMP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001489231246 1298143579 /nfs/dbraw/zinc/14/35/79/1298143579.db2.gz KWAJKIDCBCFRCX-QUCCMNQESA-N 2 1 345.531 2.778 10 30 EFEEMP C=CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001489331096 1298182780 /nfs/dbraw/zinc/18/27/80/1298182780.db2.gz XWICRWSKNRXJGK-WMZOPIPTSA-N 2 1 332.492 2.867 10 30 EFEEMP C=CCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001489331096 1298182795 /nfs/dbraw/zinc/18/27/95/1298182795.db2.gz XWICRWSKNRXJGK-WMZOPIPTSA-N 2 1 332.492 2.867 10 30 EFEEMP C=CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001489331096 1298182801 /nfs/dbraw/zinc/18/28/01/1298182801.db2.gz XWICRWSKNRXJGK-WMZOPIPTSA-N 2 1 332.492 2.867 10 30 EFEEMP C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001489332795 1298185240 /nfs/dbraw/zinc/18/52/40/1298185240.db2.gz FOBKQHNHSAFOKJ-IBGZPJMESA-N 2 1 329.488 2.861 10 30 EFEEMP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001278169717 1313731398 /nfs/dbraw/zinc/73/13/98/1313731398.db2.gz QXVXWBRVZKSEJQ-HXUWFJFHSA-N 2 1 343.515 2.507 10 30 EFEEMP C=CCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001278337120 1314156159 /nfs/dbraw/zinc/15/61/59/1314156159.db2.gz XNLCQWAOWVBAOV-TZIWHRDSSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001278337120 1314156162 /nfs/dbraw/zinc/15/61/62/1314156162.db2.gz XNLCQWAOWVBAOV-TZIWHRDSSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001278337120 1314156164 /nfs/dbraw/zinc/15/61/64/1314156164.db2.gz XNLCQWAOWVBAOV-TZIWHRDSSA-N 2 1 347.547 2.999 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000900590581 1308366863 /nfs/dbraw/zinc/36/68/63/1308366863.db2.gz PGTGIBWTSYMWNF-MRXNPFEDSA-N 2 1 331.460 2.526 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000900908319 1308907686 /nfs/dbraw/zinc/90/76/86/1308907686.db2.gz DKIHZNIJSTUNJT-INIZCTEOSA-N 2 1 345.487 2.854 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000900908320 1308907854 /nfs/dbraw/zinc/90/78/54/1308907854.db2.gz DKIHZNIJSTUNJT-MRXNPFEDSA-N 2 1 345.487 2.854 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000900918247 1308932581 /nfs/dbraw/zinc/93/25/81/1308932581.db2.gz ORJCAUPBBBTVRN-IBGZPJMESA-N 2 1 329.488 2.617 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001276923164 1311307700 /nfs/dbraw/zinc/30/77/00/1311307700.db2.gz GVPCPSPDRKPPQC-MSOLQXFVSA-N 2 1 344.503 2.691 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001276923164 1311307704 /nfs/dbraw/zinc/30/77/04/1311307704.db2.gz GVPCPSPDRKPPQC-MSOLQXFVSA-N 2 1 344.503 2.691 10 30 EFEEMP C=CCCC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001277286393 1311924568 /nfs/dbraw/zinc/92/45/68/1311924568.db2.gz YYVDGLWQEZXXSC-RBUKOAKNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001277286393 1311924570 /nfs/dbraw/zinc/92/45/70/1311924570.db2.gz YYVDGLWQEZXXSC-RBUKOAKNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001277286393 1311924572 /nfs/dbraw/zinc/92/45/72/1311924572.db2.gz YYVDGLWQEZXXSC-RBUKOAKNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001277389013 1312099664 /nfs/dbraw/zinc/09/96/64/1312099664.db2.gz XIRQKGXVKCFQNB-VQIMIIECSA-N 2 1 333.520 2.606 10 30 EFEEMP C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001277389013 1312099666 /nfs/dbraw/zinc/09/96/66/1312099666.db2.gz XIRQKGXVKCFQNB-VQIMIIECSA-N 2 1 333.520 2.606 10 30 EFEEMP C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001277389013 1312099669 /nfs/dbraw/zinc/09/96/69/1312099669.db2.gz XIRQKGXVKCFQNB-VQIMIIECSA-N 2 1 333.520 2.606 10 30 EFEEMP C=C(C)CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001277430210 1312158108 /nfs/dbraw/zinc/15/81/08/1312158108.db2.gz ZRUMOTQFPIJRNR-OALUTQOASA-N 2 1 333.520 2.892 10 30 EFEEMP C=C(C)CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001277430210 1312158112 /nfs/dbraw/zinc/15/81/12/1312158112.db2.gz ZRUMOTQFPIJRNR-OALUTQOASA-N 2 1 333.520 2.892 10 30 EFEEMP C=C(C)CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001277430210 1312158114 /nfs/dbraw/zinc/15/81/14/1312158114.db2.gz ZRUMOTQFPIJRNR-OALUTQOASA-N 2 1 333.520 2.892 10 30 EFEEMP C=C(C)CC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001277430212 1312158238 /nfs/dbraw/zinc/15/82/38/1312158238.db2.gz ZRUMOTQFPIJRNR-RBUKOAKNSA-N 2 1 333.520 2.892 10 30 EFEEMP C=C(C)CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001277430212 1312158242 /nfs/dbraw/zinc/15/82/42/1312158242.db2.gz ZRUMOTQFPIJRNR-RBUKOAKNSA-N 2 1 333.520 2.892 10 30 EFEEMP C=C(C)CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001277430212 1312158244 /nfs/dbraw/zinc/15/82/44/1312158244.db2.gz ZRUMOTQFPIJRNR-RBUKOAKNSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@@]1(C)CCCCO1 ZINC000902981606 1312258557 /nfs/dbraw/zinc/25/85/57/1312258557.db2.gz PSVOXDNPAQHPHO-AZUAARDMSA-N 2 1 337.552 2.896 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001277473881 1312400403 /nfs/dbraw/zinc/40/04/03/1312400403.db2.gz LNMGAZIUPAKTHW-QUCCMNQESA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CC[C@]2(CCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001277537855 1312527886 /nfs/dbraw/zinc/52/78/86/1312527886.db2.gz NOUGSDVEBICEPG-QUCCMNQESA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001277537855 1312527890 /nfs/dbraw/zinc/52/78/90/1312527890.db2.gz NOUGSDVEBICEPG-QUCCMNQESA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001277537855 1312527894 /nfs/dbraw/zinc/52/78/94/1312527894.db2.gz NOUGSDVEBICEPG-QUCCMNQESA-N 2 1 335.536 2.997 10 30 EFEEMP C=CC[NH2+][C@H](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C(C)C ZINC001277587524 1312588800 /nfs/dbraw/zinc/58/88/00/1312588800.db2.gz QPZLICARHMHVBB-HSALFYBXSA-N 2 1 343.515 2.638 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001278427366 1314574413 /nfs/dbraw/zinc/57/44/13/1314574413.db2.gz SFQGJBMDDIJTBM-OALUTQOASA-N 2 1 339.499 2.746 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001278427366 1314574415 /nfs/dbraw/zinc/57/44/15/1314574415.db2.gz SFQGJBMDDIJTBM-OALUTQOASA-N 2 1 339.499 2.746 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001278427366 1314574420 /nfs/dbraw/zinc/57/44/20/1314574420.db2.gz SFQGJBMDDIJTBM-OALUTQOASA-N 2 1 339.499 2.746 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H](F)C[NH+](CC)CC)CCC[C@@H]12 ZINC001278451122 1314636504 /nfs/dbraw/zinc/63/65/04/1314636504.db2.gz HCJWQLNJAIBHMZ-YQVWRLOYSA-N 2 1 339.499 2.746 10 30 EFEEMP C=CCCC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)CCC[C@H]12 ZINC001278453112 1314647924 /nfs/dbraw/zinc/64/79/24/1314647924.db2.gz RFWBGQYQCDMKFP-WSTZPKSXSA-N 2 1 333.520 2.939 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC001278453112 1314647927 /nfs/dbraw/zinc/64/79/27/1314647927.db2.gz RFWBGQYQCDMKFP-WSTZPKSXSA-N 2 1 333.520 2.939 10 30 EFEEMP C=CCCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC001278453112 1314647930 /nfs/dbraw/zinc/64/79/30/1314647930.db2.gz RFWBGQYQCDMKFP-WSTZPKSXSA-N 2 1 333.520 2.939 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCCCCCC)C1 ZINC001318411249 1328580103 /nfs/dbraw/zinc/58/01/03/1328580103.db2.gz BOXHLEMFYPWXHE-MOPGFXCFSA-N 2 1 333.520 2.587 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCCCCCC)C1 ZINC001318411249 1328580111 /nfs/dbraw/zinc/58/01/11/1328580111.db2.gz BOXHLEMFYPWXHE-MOPGFXCFSA-N 2 1 333.520 2.587 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCCCCC)C1 ZINC001318411249 1328580116 /nfs/dbraw/zinc/58/01/16/1328580116.db2.gz BOXHLEMFYPWXHE-MOPGFXCFSA-N 2 1 333.520 2.587 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCCCCC)C1 ZINC001318411249 1328580120 /nfs/dbraw/zinc/58/01/20/1328580120.db2.gz BOXHLEMFYPWXHE-MOPGFXCFSA-N 2 1 333.520 2.587 10 30 EFEEMP C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cc[nH+]c(N(C)C)c1)C(C)C ZINC001219712528 1315342146 /nfs/dbraw/zinc/34/21/46/1315342146.db2.gz YZNAOHYZHQQGBL-KRWDZBQOSA-N 2 1 345.491 2.968 10 30 EFEEMP C=C(C)C[N@@H+](C)CCN(C(=O)c1cc(C[NH+]2CCCC2)on1)C(C)C ZINC001278917578 1315913720 /nfs/dbraw/zinc/91/37/20/1315913720.db2.gz FJDQNEFYRAOQLD-UHFFFAOYSA-N 2 1 348.491 2.629 10 30 EFEEMP C=C(C)C[N@H+](C)CCN(C(=O)c1cc(C[NH+]2CCCC2)on1)C(C)C ZINC001278917578 1315913723 /nfs/dbraw/zinc/91/37/23/1315913723.db2.gz FJDQNEFYRAOQLD-UHFFFAOYSA-N 2 1 348.491 2.629 10 30 EFEEMP C=C(C)C[N@H+](C)CCN(C(=O)C1CC[NH+](CC2CC2)CC1)C(C)C ZINC001278926285 1315927052 /nfs/dbraw/zinc/92/70/52/1315927052.db2.gz GHEHLMLNLSYBOH-UHFFFAOYSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CC[NH2+]C[C@H](NC(=O)[C@H](c1ccccc1)[N@H+](C)CC)C(C)(C)C ZINC001279021968 1316073084 /nfs/dbraw/zinc/07/30/84/1316073084.db2.gz RJVCEGORWWUBHC-ROUUACIJSA-N 2 1 331.504 2.986 10 30 EFEEMP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001263760306 1316560055 /nfs/dbraw/zinc/56/00/55/1316560055.db2.gz NTVHQDDMIOISOH-IPMKNSEASA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001263760306 1316560058 /nfs/dbraw/zinc/56/00/58/1316560058.db2.gz NTVHQDDMIOISOH-IPMKNSEASA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001263760306 1316560060 /nfs/dbraw/zinc/56/00/60/1316560060.db2.gz NTVHQDDMIOISOH-IPMKNSEASA-N 2 1 333.520 2.607 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001263863746 1316570196 /nfs/dbraw/zinc/57/01/96/1316570196.db2.gz CISQIVFTTOQFMM-ZHALLVOQSA-N 2 1 333.520 2.844 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@@H]2C1 ZINC001264096216 1316588626 /nfs/dbraw/zinc/58/86/26/1316588626.db2.gz HTSDLTWIDJEPKC-QYZOEREBSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3C)C(C)(C)[C@H]21 ZINC001264587064 1316636990 /nfs/dbraw/zinc/63/69/90/1316636990.db2.gz XLCMEORDBDMDEQ-QRQLOZEOSA-N 2 1 344.503 2.763 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3C)C(C)(C)[C@H]21 ZINC001264587064 1316636993 /nfs/dbraw/zinc/63/69/93/1316636993.db2.gz XLCMEORDBDMDEQ-QRQLOZEOSA-N 2 1 344.503 2.763 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001264701381 1316657844 /nfs/dbraw/zinc/65/78/44/1316657844.db2.gz RVJKRSVTBVQOJX-QRQLOZEOSA-N 2 1 333.520 2.654 10 30 EFEEMP C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001264742835 1316664208 /nfs/dbraw/zinc/66/42/08/1316664208.db2.gz JJXJUBFTTQTYML-HKUYNNGSSA-N 2 1 344.503 2.643 10 30 EFEEMP 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RNGAHJZJTBKKRB-LJQANCHMSA-N 2 1 341.499 2.721 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC/C=C/CC)[C@H]2C)CC1 ZINC001284155753 1320242052 /nfs/dbraw/zinc/24/20/52/1320242052.db2.gz WGFLKZQIHHVOLQ-KQPGTDLCSA-N 2 1 345.531 2.657 10 30 EFEEMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1(C)C ZINC001284335943 1320324896 /nfs/dbraw/zinc/32/48/96/1320324896.db2.gz PSIYMFQSRDKMKB-MSOLQXFVSA-N 2 1 329.488 2.692 10 30 EFEEMP C=CCC[NH2+][C@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1(C)C ZINC001284349235 1320331208 /nfs/dbraw/zinc/33/12/08/1320331208.db2.gz OXXFEMKOKNLBSR-ROUUACIJSA-N 2 1 329.488 2.692 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C(F)(F)F ZINC001284371430 1320343955 /nfs/dbraw/zinc/34/39/55/1320343955.db2.gz ISNUISVCYXKDOO-HUUCEWRRSA-N 2 1 349.441 2.521 10 30 EFEEMP C=CCC[NH+]1CCC(C2(NC(=O)CC[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001284844075 1320559754 /nfs/dbraw/zinc/55/97/54/1320559754.db2.gz ZGVNEBNZDFMOCX-GOSISDBHSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCCCCC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001284918049 1320594976 /nfs/dbraw/zinc/59/49/76/1320594976.db2.gz VJRIEGNCLMTMAE-FQEVSTJZSA-N 2 1 345.531 2.823 10 30 EFEEMP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001319818604 1329002052 /nfs/dbraw/zinc/00/20/52/1329002052.db2.gz GLHBBLPQJYMGSU-FUHWJXTLSA-N 2 1 332.492 2.765 10 30 EFEEMP C=CCC[NH2+][C@@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001319943708 1329040937 /nfs/dbraw/zinc/04/09/37/1329040937.db2.gz LBKWIMFBZGFJJE-YJBOKZPZSA-N 2 1 327.488 2.505 10 30 EFEEMP C=CCC[NH2+][C@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001319943693 1329041186 /nfs/dbraw/zinc/04/11/86/1329041186.db2.gz LBKWIMFBZGFJJE-CRAIPNDOSA-N 2 1 327.488 2.505 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@H]21 ZINC001320102887 1329079100 /nfs/dbraw/zinc/07/91/00/1329079100.db2.gz ILKCJLNHHPHHCX-RBUKOAKNSA-N 2 1 344.503 2.861 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@H]21 ZINC001320102887 1329079107 /nfs/dbraw/zinc/07/91/07/1329079107.db2.gz ILKCJLNHHPHHCX-RBUKOAKNSA-N 2 1 344.503 2.861 10 30 EFEEMP C=C(C)C[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)CCCCCC)CC[C@H]21 ZINC001320112815 1329084165 /nfs/dbraw/zinc/08/41/65/1329084165.db2.gz WAAOFAMZSUKQGC-RBUKOAKNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CCCCCC)CC[C@H]21 ZINC001320112815 1329084174 /nfs/dbraw/zinc/08/41/74/1329084174.db2.gz WAAOFAMZSUKQGC-RBUKOAKNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CCCCCC)CC[C@H]21 ZINC001320112815 1329084178 /nfs/dbraw/zinc/08/41/78/1329084178.db2.gz WAAOFAMZSUKQGC-RBUKOAKNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001491965867 1324088356 /nfs/dbraw/zinc/08/83/56/1324088356.db2.gz VFIAGWGZWZKZGG-OALUTQOASA-N 2 1 329.488 2.788 10 30 EFEEMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001491965867 1324088363 /nfs/dbraw/zinc/08/83/63/1324088363.db2.gz VFIAGWGZWZKZGG-OALUTQOASA-N 2 1 329.488 2.788 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@@H+](C)CCC(C)(C)C)C2)CC1 ZINC001491965920 1324088951 /nfs/dbraw/zinc/08/89/51/1324088951.db2.gz VQPGUWRIXMVIND-IBGZPJMESA-N 2 1 347.547 2.691 10 30 EFEEMP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001320549458 1329160451 /nfs/dbraw/zinc/16/04/51/1329160451.db2.gz RXJUSVWFYUNMEW-YJBOKZPZSA-N 2 1 327.488 2.650 10 30 EFEEMP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001320549450 1329160185 /nfs/dbraw/zinc/16/01/85/1329160185.db2.gz RXJUSVWFYUNMEW-CRAIPNDOSA-N 2 1 327.488 2.650 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC(CC)CC)C1 ZINC001316768378 1325041050 /nfs/dbraw/zinc/04/10/50/1325041050.db2.gz CFQNLHJONGDJSL-UXHICEINSA-N 2 1 347.547 2.881 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC(CC)CC)C1 ZINC001316768378 1325041055 /nfs/dbraw/zinc/04/10/55/1325041055.db2.gz CFQNLHJONGDJSL-UXHICEINSA-N 2 1 347.547 2.881 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@@H]2C1 ZINC001316761825 1325115509 /nfs/dbraw/zinc/11/55/09/1325115509.db2.gz ZWQFYXARKJCWPX-MOPGFXCFSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@@H]2C1 ZINC001316761825 1325115515 /nfs/dbraw/zinc/11/55/15/1325115515.db2.gz ZWQFYXARKJCWPX-MOPGFXCFSA-N 2 1 335.536 2.853 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[N@H+](C)CCC(C)C)CC1 ZINC001316805886 1325153793 /nfs/dbraw/zinc/15/37/93/1325153793.db2.gz IAQJEKWYCPVPJK-FQEVSTJZSA-N 2 1 347.547 2.691 10 30 EFEEMP C=C(Cl)C[NH+](CC)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001316905177 1325312446 /nfs/dbraw/zinc/31/24/46/1325312446.db2.gz ZGGCBEUDIHBQKS-CVEARBPZSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)C[NH+](CC)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001316905177 1325312454 /nfs/dbraw/zinc/31/24/54/1325312454.db2.gz ZGGCBEUDIHBQKS-CVEARBPZSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)C[N@@H+](CC)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001316905177 1325312440 /nfs/dbraw/zinc/31/24/40/1325312440.db2.gz ZGGCBEUDIHBQKS-CVEARBPZSA-N 2 1 327.900 2.584 10 30 EFEEMP C=CCC[NH+]1CCC(N(CCC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001317004933 1325475489 /nfs/dbraw/zinc/47/54/89/1325475489.db2.gz CYZJBKLKKLKRQN-ROUUACIJSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001317013480 1325482725 /nfs/dbraw/zinc/48/27/25/1325482725.db2.gz OGHROYILTWYOHD-IEBWSBKVSA-N 2 1 333.520 2.702 10 30 EFEEMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001317037512 1325502713 /nfs/dbraw/zinc/50/27/13/1325502713.db2.gz UQAQXJPILFNUDY-IEBWSBKVSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001317037512 1325502721 /nfs/dbraw/zinc/50/27/21/1325502721.db2.gz UQAQXJPILFNUDY-IEBWSBKVSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001317037512 1325502728 /nfs/dbraw/zinc/50/27/28/1325502728.db2.gz UQAQXJPILFNUDY-IEBWSBKVSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCCCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C ZINC001317047925 1325518757 /nfs/dbraw/zinc/51/87/57/1325518757.db2.gz LJORRRABWFJZMV-CEXWTWQISA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C ZINC001317047925 1325518764 /nfs/dbraw/zinc/51/87/64/1325518764.db2.gz LJORRRABWFJZMV-CEXWTWQISA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C ZINC001317047925 1325518770 /nfs/dbraw/zinc/51/87/70/1325518770.db2.gz LJORRRABWFJZMV-CEXWTWQISA-N 2 1 333.520 2.892 10 30 EFEEMP CCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001317048466 1325519950 /nfs/dbraw/zinc/51/99/50/1325519950.db2.gz KGRIRCCHMJRGEF-QRVBRYPASA-N 2 1 335.536 2.974 10 30 EFEEMP CCCCCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001317048466 1325519958 /nfs/dbraw/zinc/51/99/58/1325519958.db2.gz KGRIRCCHMJRGEF-QRVBRYPASA-N 2 1 335.536 2.974 10 30 EFEEMP CCCCCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001317048466 1325519963 /nfs/dbraw/zinc/51/99/63/1325519963.db2.gz KGRIRCCHMJRGEF-QRVBRYPASA-N 2 1 335.536 2.974 10 30 EFEEMP C=CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCn2cc[nH+]c2C)C1 ZINC001317104412 1325572668 /nfs/dbraw/zinc/57/26/68/1325572668.db2.gz JFTSIUXAOQMJDE-RTBURBONSA-N 2 1 344.503 2.861 10 30 EFEEMP C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCn2cc[nH+]c2C)C1 ZINC001317104412 1325572673 /nfs/dbraw/zinc/57/26/73/1325572673.db2.gz JFTSIUXAOQMJDE-RTBURBONSA-N 2 1 344.503 2.861 10 30 EFEEMP C=CCC[C@H](C)[NH2+]C/C=C/CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001321248253 1329362998 /nfs/dbraw/zinc/36/29/98/1329362998.db2.gz ACHTZWBCRZITCF-XERWZBGXSA-N 2 1 339.499 2.816 10 30 EFEEMP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001317138068 1327627087 /nfs/dbraw/zinc/62/70/87/1327627087.db2.gz RKDWWOMCMPFQSH-FQEVSTJZSA-N 2 1 343.515 2.913 10 30 EFEEMP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001317138068 1327627097 /nfs/dbraw/zinc/62/70/97/1327627097.db2.gz RKDWWOMCMPFQSH-FQEVSTJZSA-N 2 1 343.515 2.913 10 30 EFEEMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001317138068 1327627104 /nfs/dbraw/zinc/62/71/04/1327627104.db2.gz RKDWWOMCMPFQSH-FQEVSTJZSA-N 2 1 343.515 2.913 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001317138068 1327627110 /nfs/dbraw/zinc/62/71/10/1327627110.db2.gz RKDWWOMCMPFQSH-FQEVSTJZSA-N 2 1 343.515 2.913 10 30 EFEEMP C=CCCCCC[N@H+]1CCCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001317176071 1327688984 /nfs/dbraw/zinc/68/89/84/1327688984.db2.gz JETRUEQEXCYVLM-SFHVURJKSA-N 2 1 333.520 2.799 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001317199530 1327725329 /nfs/dbraw/zinc/72/53/29/1327725329.db2.gz MMZDMMWLYOYIHU-MOPGFXCFSA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001317356076 1327889485 /nfs/dbraw/zinc/88/94/85/1327889485.db2.gz FBTCQTHRTBTPAM-ZWKOTPCHSA-N 2 1 332.492 2.955 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001317356029 1327889809 /nfs/dbraw/zinc/88/98/09/1327889809.db2.gz FBTCQTHRTBTPAM-MSOLQXFVSA-N 2 1 332.492 2.955 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001317436615 1328025526 /nfs/dbraw/zinc/02/55/26/1328025526.db2.gz ZCGCEKKTOGRLCX-HZPDHXFCSA-N 2 1 329.916 2.686 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC001317471964 1328060051 /nfs/dbraw/zinc/06/00/51/1328060051.db2.gz SGDJDJMNNGYZKA-RTBURBONSA-N 2 1 347.547 2.596 10 30 EFEEMP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)c1ccc(C(C)C)cc1 ZINC001317711272 1328318914 /nfs/dbraw/zinc/31/89/14/1328318914.db2.gz LJOOZUJMXZIAEE-PMACEKPBSA-N 2 1 341.499 2.674 10 30 EFEEMP C#CC[NH2+][C@H](CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC)c1ccccc1 ZINC001317727776 1328337726 /nfs/dbraw/zinc/33/77/26/1328337726.db2.gz XQOUJKQVBTVMEC-NHCUHLMSSA-N 2 1 349.478 2.760 10 30 EFEEMP C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001317769384 1328365816 /nfs/dbraw/zinc/36/58/16/1328365816.db2.gz CHTSXGPANSRMCY-LJQANCHMSA-N 2 1 329.488 2.861 10 30 EFEEMP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001317848637 1328415619 /nfs/dbraw/zinc/41/56/19/1328415619.db2.gz OMSGTEONOGITTA-UYAOXDASSA-N 2 1 345.531 2.587 10 30 EFEEMP CC#CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001317848637 1328415621 /nfs/dbraw/zinc/41/56/21/1328415621.db2.gz OMSGTEONOGITTA-UYAOXDASSA-N 2 1 345.531 2.587 10 30 EFEEMP CC#CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001317848637 1328415624 /nfs/dbraw/zinc/41/56/24/1328415624.db2.gz OMSGTEONOGITTA-UYAOXDASSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@H](C)c1cc(C)ccc1C ZINC001321875043 1329414068 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PNYOJGZNKCVECU-LJQANCHMSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001317870217 1328428924 /nfs/dbraw/zinc/42/89/24/1328428924.db2.gz PNYOJGZNKCVECU-LJQANCHMSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001317870217 1328428931 /nfs/dbraw/zinc/42/89/31/1328428931.db2.gz PNYOJGZNKCVECU-LJQANCHMSA-N 2 1 335.536 2.997 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC1CCCCC1)C1CC1 ZINC001323016315 1329505062 /nfs/dbraw/zinc/50/50/62/1329505062.db2.gz VTPGVVRUIKJVEY-UXHICEINSA-N 2 1 345.531 2.539 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC1CCCCC1)C1CC1 ZINC001323016315 1329505064 /nfs/dbraw/zinc/50/50/64/1329505064.db2.gz VTPGVVRUIKJVEY-UXHICEINSA-N 2 1 345.531 2.539 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001323645222 1329558458 /nfs/dbraw/zinc/55/84/58/1329558458.db2.gz YFTCENZUWWCKMP-OALUTQOASA-N 2 1 345.531 2.751 10 30 EFEEMP C#CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CCCCCC1 ZINC001323707918 1329563361 /nfs/dbraw/zinc/56/33/61/1329563361.db2.gz AOCRYNSIDRTVEP-IBGZPJMESA-N 2 1 333.520 2.633 10 30 EFEEMP C#CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)C1CCCCCC1 ZINC001323707918 1329563362 /nfs/dbraw/zinc/56/33/62/1329563362.db2.gz AOCRYNSIDRTVEP-IBGZPJMESA-N 2 1 333.520 2.633 10 30 EFEEMP C#CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)C1CCCCCC1 ZINC001323707918 1329563364 /nfs/dbraw/zinc/56/33/64/1329563364.db2.gz AOCRYNSIDRTVEP-IBGZPJMESA-N 2 1 333.520 2.633 10 30 EFEEMP C#CCN(C(=O)CCc1cnc[nH]1)C1CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001324396097 1329623348 /nfs/dbraw/zinc/62/33/48/1329623348.db2.gz DHTPSPQNIUYELI-KRWDZBQOSA-N 2 1 342.487 2.623 10 30 EFEEMP C#CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001324440427 1329628034 /nfs/dbraw/zinc/62/80/34/1329628034.db2.gz WQPAQWYCVOGLJB-SFHVURJKSA-N 2 1 347.547 2.691 10 30 EFEEMP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C1CCCC1 ZINC001324495463 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SBCYQVCTRASDRT-ZVDOUQERSA-N 2 1 345.531 2.609 10 30 EFEEMP C=CCCCCC[NH+]1C[C@H]2CN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C[C@H]2C1 ZINC001325772710 1329712095 /nfs/dbraw/zinc/71/20/95/1329712095.db2.gz SBCYQVCTRASDRT-ZVDOUQERSA-N 2 1 345.531 2.609 10 30 EFEEMP C=CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001326449473 1329757800 /nfs/dbraw/zinc/75/78/00/1329757800.db2.gz MIXVVXVTVHUXGC-FQEVSTJZSA-N 2 1 341.499 2.653 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001326585513 1330321813 /nfs/dbraw/zinc/32/18/13/1330321813.db2.gz HJEAUKYSOBXBRJ-ROUUACIJSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)CC[N@H+](C)CCC)C2)CC1 ZINC001326604962 1330326605 /nfs/dbraw/zinc/32/66/05/1330326605.db2.gz ZXTUZAFUPLQOJT-SFHVURJKSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001327505686 1330489310 /nfs/dbraw/zinc/48/93/10/1330489310.db2.gz DNOCVTVCIISJLI-LJQANCHMSA-N 2 1 341.499 2.590 10 30 EFEEMP C=C(C)C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001327505686 1330489313 /nfs/dbraw/zinc/48/93/13/1330489313.db2.gz DNOCVTVCIISJLI-LJQANCHMSA-N 2 1 341.499 2.590 10 30 EFEEMP C#CC[NH+]1CCC(CCCCCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001327505480 1330489528 /nfs/dbraw/zinc/48/95/28/1330489528.db2.gz CSYLRBAJPJUBMU-FQEVSTJZSA-N 2 1 347.547 2.883 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC[NH+](C)C ZINC001327514096 1330492719 /nfs/dbraw/zinc/49/27/19/1330492719.db2.gz RXOBBVDYJQLPFW-XLIONFOSSA-N 2 1 343.515 2.836 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[NH+](C)C ZINC001327514098 1330492897 /nfs/dbraw/zinc/49/28/97/1330492897.db2.gz RXOBBVDYJQLPFW-YLJYHZDGSA-N 2 1 343.515 2.836 10 30 EFEEMP C#CCC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001327982397 1330538032 /nfs/dbraw/zinc/53/80/32/1330538032.db2.gz PZEBEKZYFRJAQE-SFHVURJKSA-N 2 1 345.531 2.635 10 30 EFEEMP C=CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C(C)(C)C1 ZINC001328102197 1330557221 /nfs/dbraw/zinc/55/72/21/1330557221.db2.gz KUUGTMGUOWNWAU-LJQANCHMSA-N 2 1 343.515 2.564 10 30 EFEEMP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)C(C)(C)C1 ZINC001328102197 1330557222 /nfs/dbraw/zinc/55/72/22/1330557222.db2.gz KUUGTMGUOWNWAU-LJQANCHMSA-N 2 1 343.515 2.564 10 30 EFEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)C(C)(C)C1 ZINC001328102197 1330557225 /nfs/dbraw/zinc/55/72/25/1330557225.db2.gz KUUGTMGUOWNWAU-LJQANCHMSA-N 2 1 343.515 2.564 10 30 EFEEMP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001328588023 1330605457 /nfs/dbraw/zinc/60/54/57/1330605457.db2.gz PDDSVNNSUNSOOM-HKUYNNGSSA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)C[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001328588023 1330605459 /nfs/dbraw/zinc/60/54/59/1330605459.db2.gz PDDSVNNSUNSOOM-HKUYNNGSSA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)C[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001328588023 1330605461 /nfs/dbraw/zinc/60/54/61/1330605461.db2.gz PDDSVNNSUNSOOM-HKUYNNGSSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001328686593 1330615879 /nfs/dbraw/zinc/61/58/79/1330615879.db2.gz JEBGDQZYQQZPJQ-FBBABVLZSA-N 2 1 341.499 2.809 10 30 EFEEMP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001328737764 1330623953 /nfs/dbraw/zinc/62/39/53/1330623953.db2.gz QFAVOBIXZQGYSB-DLBZAZTESA-N 2 1 332.492 2.896 10 30 EFEEMP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001328737764 1330623955 /nfs/dbraw/zinc/62/39/55/1330623955.db2.gz QFAVOBIXZQGYSB-DLBZAZTESA-N 2 1 332.492 2.896 10 30 EFEEMP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001329291798 1330690693 /nfs/dbraw/zinc/69/06/93/1330690693.db2.gz YLODXNVOLBQMBL-SFHVURJKSA-N 2 1 347.547 2.739 10 30 EFEEMP C=CCC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC001329762116 1330734644 /nfs/dbraw/zinc/73/46/44/1330734644.db2.gz UXZXGAZLADNXCM-PKOBYXMFSA-N 2 1 346.519 2.793 10 30 EFEEMP C=CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001329923462 1330751825 /nfs/dbraw/zinc/75/18/25/1330751825.db2.gz LKNHKVWIEZPSDT-RTBURBONSA-N 2 1 333.520 2.655 10 30 EFEEMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001329935521 1330753094 /nfs/dbraw/zinc/75/30/94/1330753094.db2.gz DJMNGAYEZNNPTA-WOJBJXKFSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001329935521 1330753096 /nfs/dbraw/zinc/75/30/96/1330753096.db2.gz DJMNGAYEZNNPTA-WOJBJXKFSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001329935521 1330753100 /nfs/dbraw/zinc/75/31/00/1330753100.db2.gz DJMNGAYEZNNPTA-WOJBJXKFSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001329935521 1330753102 /nfs/dbraw/zinc/75/31/02/1330753102.db2.gz DJMNGAYEZNNPTA-WOJBJXKFSA-N 2 1 341.499 2.673 10 30 EFEEMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001329940518 1330754204 /nfs/dbraw/zinc/75/42/04/1330754204.db2.gz XVPXLRLWAXXOKY-LJQANCHMSA-N 2 1 347.547 2.883 10 30 EFEEMP C#CCC[NH2+][C@H](CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC001331199288 1330804846 /nfs/dbraw/zinc/80/48/46/1330804846.db2.gz FSMYYEUGCVUMEV-RTBURBONSA-N 2 1 333.520 2.537 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001332121136 1330924411 /nfs/dbraw/zinc/92/44/11/1330924411.db2.gz XLGMGAGFFGEYAV-NVXWUHKLSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001332121136 1330924413 /nfs/dbraw/zinc/92/44/13/1330924413.db2.gz XLGMGAGFFGEYAV-NVXWUHKLSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)C(C)(C)n2cnc(C)c2)CC1 ZINC001333355142 1331124010 /nfs/dbraw/zinc/12/40/10/1331124010.db2.gz XLJZPLCYWYFUAM-UHFFFAOYSA-N 2 1 330.476 2.641 10 30 EFEEMP C=CCCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001333363163 1331125302 /nfs/dbraw/zinc/12/53/02/1331125302.db2.gz AAJYFHIKYYUCSS-MOPGFXCFSA-N 2 1 331.504 2.718 10 30 EFEEMP C=CCCC[NH+]1CC=C(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001333363163 1331125306 /nfs/dbraw/zinc/12/53/06/1331125306.db2.gz AAJYFHIKYYUCSS-MOPGFXCFSA-N 2 1 331.504 2.718 10 30 EFEEMP C=CCCC[NH+]1CC=C(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001333363163 1331125310 /nfs/dbraw/zinc/12/53/10/1331125310.db2.gz AAJYFHIKYYUCSS-MOPGFXCFSA-N 2 1 331.504 2.718 10 30 EFEEMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)c(F)c1 ZINC001333473054 1331151647 /nfs/dbraw/zinc/15/16/47/1331151647.db2.gz JPSOKTVCUUQRIL-LJQANCHMSA-N 2 1 347.478 2.838 10 30 EFEEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCC1=NNCCCn1ccnc1 ZINC000848419092 1334713839 /nfs/dbraw/zinc/71/38/39/1334713839.db2.gz YITVXMRFVXFWCC-QGZVFWFLSA-N 2 1 325.460 2.761 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001366224952 1337457522 /nfs/dbraw/zinc/45/75/22/1337457522.db2.gz HXNUVORGABQTAG-JKSUJKDBSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001366224950 1337457541 /nfs/dbraw/zinc/45/75/41/1337457541.db2.gz HXNUVORGABQTAG-HOTGVXAUSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001366777073 1337995259 /nfs/dbraw/zinc/99/52/59/1337995259.db2.gz AYARCUXOKFWYEV-DOTOQJQBSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CCCC1 ZINC001367321188 1338618666 /nfs/dbraw/zinc/61/86/66/1338618666.db2.gz DFLMVHCCGSYGAD-JKSUJKDBSA-N 2 1 339.911 2.774 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)CC(C)(C)C1 ZINC001388846035 1353085718 /nfs/dbraw/zinc/08/57/18/1353085718.db2.gz ZXUOEIJCNPJSSN-OAHLLOKOSA-N 2 1 329.916 2.688 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001372990634 1340865577 /nfs/dbraw/zinc/86/55/77/1340865577.db2.gz GJXAYDGIHOOKDY-NVXWUHKLSA-N 2 1 341.927 2.828 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001373038483 1340881520 /nfs/dbraw/zinc/88/15/20/1340881520.db2.gz CYBMGJQLVWLRPS-NVXWUHKLSA-N 2 1 335.879 2.528 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001373038483 1340881522 /nfs/dbraw/zinc/88/15/22/1340881522.db2.gz CYBMGJQLVWLRPS-NVXWUHKLSA-N 2 1 335.879 2.528 10 30 EFEEMP C=C(Cl)C[N@H+](CCC)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001391127927 1354838018 /nfs/dbraw/zinc/83/80/18/1354838018.db2.gz GKLJAUUIKUBHKT-HOTGVXAUSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)C[N@@H+](CCC)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001391127927 1354838022 /nfs/dbraw/zinc/83/80/22/1354838022.db2.gz GKLJAUUIKUBHKT-HOTGVXAUSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)C[NH+](CCC)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001391127927 1354838025 /nfs/dbraw/zinc/83/80/25/1354838025.db2.gz GKLJAUUIKUBHKT-HOTGVXAUSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)C[NH+](CCC)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001391127927 1354838030 /nfs/dbraw/zinc/83/80/30/1354838030.db2.gz GKLJAUUIKUBHKT-HOTGVXAUSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001373312429 1340986449 /nfs/dbraw/zinc/98/64/49/1340986449.db2.gz LQSZLGUSEBNSGU-AEFFLSMTSA-N 2 1 349.906 2.822 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001373312429 1340986450 /nfs/dbraw/zinc/98/64/50/1340986450.db2.gz LQSZLGUSEBNSGU-AEFFLSMTSA-N 2 1 349.906 2.822 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)CC(C)(C)C1 ZINC001375691600 1342932599 /nfs/dbraw/zinc/93/25/99/1342932599.db2.gz XRFWXIXYKKNNDM-OAHLLOKOSA-N 2 1 329.916 2.688 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)CC(C)(C)C1 ZINC001375691600 1342932602 /nfs/dbraw/zinc/93/26/02/1342932602.db2.gz XRFWXIXYKKNNDM-OAHLLOKOSA-N 2 1 329.916 2.688 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)CC(C)(C)C1 ZINC001375691600 1342932606 /nfs/dbraw/zinc/93/26/06/1342932606.db2.gz XRFWXIXYKKNNDM-OAHLLOKOSA-N 2 1 329.916 2.688 10 30 EFEEMP C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001377860496 1344521581 /nfs/dbraw/zinc/52/15/81/1344521581.db2.gz VMSBPKWBSLVGQF-HZPDHXFCSA-N 2 1 344.503 2.519 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001379135259 1345613377 /nfs/dbraw/zinc/61/33/77/1345613377.db2.gz VSZCUHCNJGTBPY-HOTGVXAUSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001381125403 1348093065 /nfs/dbraw/zinc/09/30/65/1348093065.db2.gz DCASIBNCBXXFJN-HZPDHXFCSA-N 2 1 339.911 2.727 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@H]1CC ZINC001388772351 1352998450 /nfs/dbraw/zinc/99/84/50/1352998450.db2.gz VMZWXBJXOCJTOM-ARFHVFGLSA-N 2 1 329.916 2.828 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@H]1CC ZINC001388772351 1352998456 /nfs/dbraw/zinc/99/84/56/1352998456.db2.gz VMZWXBJXOCJTOM-ARFHVFGLSA-N 2 1 329.916 2.828 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)CC(C)(C)C1 ZINC001388836693 1353075456 /nfs/dbraw/zinc/07/54/56/1353075456.db2.gz UCPHBYDIKYPPRT-HNNXBMFYSA-N 2 1 329.916 2.686 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)CC(C)(C)C1 ZINC001388836693 1353075461 /nfs/dbraw/zinc/07/54/61/1353075461.db2.gz UCPHBYDIKYPPRT-HNNXBMFYSA-N 2 1 329.916 2.686 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)CC(C)(C)C1 ZINC001388836693 1353075465 /nfs/dbraw/zinc/07/54/65/1353075465.db2.gz UCPHBYDIKYPPRT-HNNXBMFYSA-N 2 1 329.916 2.686 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)CC(C)(C)C1 ZINC001388846035 1353085711 /nfs/dbraw/zinc/08/57/11/1353085711.db2.gz ZXUOEIJCNPJSSN-OAHLLOKOSA-N 2 1 329.916 2.688 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)CC(C)(C)C1 ZINC001388846035 1353085715 /nfs/dbraw/zinc/08/57/15/1353085715.db2.gz ZXUOEIJCNPJSSN-OAHLLOKOSA-N 2 1 329.916 2.688 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001390148925 1353863166 /nfs/dbraw/zinc/86/31/66/1353863166.db2.gz GUKMWMBRQKVFHK-DLBZAZTESA-N 2 1 341.927 2.973 10 30 EFEEMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001390566401 1354176999 /nfs/dbraw/zinc/17/69/99/1354176999.db2.gz ZIXFRWKFTGEOSB-IRXDYDNUSA-N 2 1 335.879 2.622 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@]1(NC(=O)C[N@H+](C)C(C)C)CCCC[C@@H]1C ZINC001391812065 1355554880 /nfs/dbraw/zinc/55/48/80/1355554880.db2.gz QNMRYDIXLAOHHR-YOEHRIQHSA-N 2 1 329.916 2.734 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@]1(NC(=O)C[N@H+](C)C(C)C)CCCC[C@H]1C ZINC001391812056 1355554946 /nfs/dbraw/zinc/55/49/46/1355554946.db2.gz QNMRYDIXLAOHHR-RHSMWYFYSA-N 2 1 329.916 2.734 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C1CCCC1 ZINC001393074194 1356563568 /nfs/dbraw/zinc/56/35/68/1356563568.db2.gz UQNNBLLECSGDNL-IAGOWNOFSA-N 2 1 341.927 2.878 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001393493892 1356896029 /nfs/dbraw/zinc/89/60/29/1356896029.db2.gz UKQKXQXUJLSMNQ-BRWVUGGUSA-N 2 1 341.927 2.878 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001398469327 1360585659 /nfs/dbraw/zinc/58/56/59/1360585659.db2.gz GSKRCFMPJMZJGP-BBWFWOEESA-N 2 1 341.927 2.640 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001437304895 1387531259 /nfs/dbraw/zinc/53/12/59/1387531259.db2.gz QAYOMIJJZVRTOJ-CABCVRRESA-N 2 1 338.883 2.587 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001437304912 1387531387 /nfs/dbraw/zinc/53/13/87/1387531387.db2.gz QAYOMIJJZVRTOJ-LSDHHAIUSA-N 2 1 338.883 2.587 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001437304907 1387531500 /nfs/dbraw/zinc/53/15/00/1387531500.db2.gz QAYOMIJJZVRTOJ-HUUCEWRRSA-N 2 1 338.883 2.587 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001400208572 1361845016 /nfs/dbraw/zinc/84/50/16/1361845016.db2.gz XUCIPJIUEJEMBQ-IAGOWNOFSA-N 2 1 341.927 2.688 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C1CCCC1 ZINC001402107979 1363414661 /nfs/dbraw/zinc/41/46/61/1363414661.db2.gz RDSOTUZBAHYHKW-IRXDYDNUSA-N 2 1 341.927 2.878 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001403594816 1364798567 /nfs/dbraw/zinc/79/85/67/1364798567.db2.gz JVMVGFHDAKHWRG-DOTOQJQBSA-N 2 1 341.927 2.973 10 30 EFEEMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC1(C)C ZINC001403813215 1364968455 /nfs/dbraw/zinc/96/84/55/1364968455.db2.gz FAOPYUYZIYUGKI-AWEZNQCLSA-N 2 1 329.916 2.543 10 30 EFEEMP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001408105583 1369611281 /nfs/dbraw/zinc/61/12/81/1369611281.db2.gz GPYDNMXUUOFCRQ-OAHLLOKOSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)[C@H]21 ZINC001418740879 1374444461 /nfs/dbraw/zinc/44/44/61/1374444461.db2.gz BUQMLHGIYMGFQS-OIISXLGYSA-N 2 1 341.927 2.684 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)[C@H]21 ZINC001418740879 1374444463 /nfs/dbraw/zinc/44/44/63/1374444463.db2.gz BUQMLHGIYMGFQS-OIISXLGYSA-N 2 1 341.927 2.684 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)[C@H]21 ZINC001418740879 1374444464 /nfs/dbraw/zinc/44/44/64/1374444464.db2.gz BUQMLHGIYMGFQS-OIISXLGYSA-N 2 1 341.927 2.684 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)[C@H]21 ZINC001418740879 1374444465 /nfs/dbraw/zinc/44/44/65/1374444465.db2.gz BUQMLHGIYMGFQS-OIISXLGYSA-N 2 1 341.927 2.684 10 30 EFEEMP C=C(Cl)C[NH+]1CCC(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001419406623 1375233821 /nfs/dbraw/zinc/23/38/21/1375233821.db2.gz UJMAGCURNRJEQJ-QGZVFWFLSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001419714598 1375758896 /nfs/dbraw/zinc/75/88/96/1375758896.db2.gz BBRWDWDATXICNF-DOTOQJQBSA-N 2 1 341.927 2.973 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001420161139 1376519715 /nfs/dbraw/zinc/51/97/15/1376519715.db2.gz WEMZZTYVHONUJU-NXHRZFHOSA-N 2 1 349.906 2.569 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+](CCC)C1)C(C)C ZINC001422119507 1379639063 /nfs/dbraw/zinc/63/90/63/1379639063.db2.gz KRIMAXREWFJDAB-HZPDHXFCSA-N 2 1 329.916 2.591 10 30 EFEEMP C=C(Cl)C[NH+]1CCC(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001438458245 1388623714 /nfs/dbraw/zinc/62/37/14/1388623714.db2.gz FVFGVAXXAIBBSK-DLBZAZTESA-N 2 1 341.927 2.688 10 30 EFEEMP C=C(Cl)C[N@@H+](CC)CC1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001422208944 1379775773 /nfs/dbraw/zinc/77/57/73/1379775773.db2.gz FRQCQFVEAKCBFB-UHFFFAOYSA-N 2 1 329.916 2.640 10 30 EFEEMP C=C(Cl)C[NH+](CC)CC1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001422208944 1379775778 /nfs/dbraw/zinc/77/57/78/1379775778.db2.gz FRQCQFVEAKCBFB-UHFFFAOYSA-N 2 1 329.916 2.640 10 30 EFEEMP C=C(Cl)C[NH+](CC)CC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001422208944 1379775783 /nfs/dbraw/zinc/77/57/83/1379775783.db2.gz FRQCQFVEAKCBFB-UHFFFAOYSA-N 2 1 329.916 2.640 10 30 EFEEMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001423662545 1382244931 /nfs/dbraw/zinc/24/49/31/1382244931.db2.gz WPSRVCGALAILIK-INIZCTEOSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001438828104 1388844990 /nfs/dbraw/zinc/84/49/90/1388844990.db2.gz LVCCOBGEYAGLBY-WMLDXEAASA-N 2 1 347.906 2.682 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001425145223 1383522541 /nfs/dbraw/zinc/52/25/41/1383522541.db2.gz ZMVXHUHJPKIGGU-BZUAXINKSA-N 2 1 329.916 2.542 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001425583135 1383697308 /nfs/dbraw/zinc/69/73/08/1383697308.db2.gz ZLBSHNCANCHQCJ-KBPBESRZSA-N 2 1 326.872 2.586 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)CC[C@@H]3CCC[N@H+]3C)CCC[C@H]12 ZINC001425908665 1383845957 /nfs/dbraw/zinc/84/59/57/1383845957.db2.gz NIUZDYRGNRVZDK-XYJFISCASA-N 2 1 339.911 2.727 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)CC[C@@H]3CCC[N@@H+]3C)CCC[C@H]12 ZINC001425908665 1383845965 /nfs/dbraw/zinc/84/59/65/1383845965.db2.gz NIUZDYRGNRVZDK-XYJFISCASA-N 2 1 339.911 2.727 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@H]12 ZINC001425908665 1383845973 /nfs/dbraw/zinc/84/59/73/1383845973.db2.gz NIUZDYRGNRVZDK-XYJFISCASA-N 2 1 339.911 2.727 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@H]12 ZINC001425908665 1383845981 /nfs/dbraw/zinc/84/59/81/1383845981.db2.gz NIUZDYRGNRVZDK-XYJFISCASA-N 2 1 339.911 2.727 10 30 EFEEMP C=C(Cl)C[NH2+]C1(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CCC1 ZINC001440299921 1389513553 /nfs/dbraw/zinc/51/35/53/1389513553.db2.gz KVXDGKBPLRPFSS-CQSZACIVSA-N 2 1 338.883 2.778 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3C)C[C@@]2(C)C1 ZINC001506870612 1406389921 /nfs/dbraw/zinc/38/99/21/1406389921.db2.gz SNFBYIXSAHEBKA-FFZOFVMBSA-N 2 1 344.503 2.717 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3C)C[C@@]2(C)C1 ZINC001506870612 1406389931 /nfs/dbraw/zinc/38/99/31/1406389931.db2.gz SNFBYIXSAHEBKA-FFZOFVMBSA-N 2 1 344.503 2.717 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001440507470 1389709900 /nfs/dbraw/zinc/70/99/00/1389709900.db2.gz DLRVVZPAYOHHNQ-SJORKVTESA-N 2 1 341.927 2.926 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001440507470 1389709904 /nfs/dbraw/zinc/70/99/04/1389709904.db2.gz DLRVVZPAYOHHNQ-SJORKVTESA-N 2 1 341.927 2.926 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001440507470 1389709908 /nfs/dbraw/zinc/70/99/08/1389709908.db2.gz DLRVVZPAYOHHNQ-SJORKVTESA-N 2 1 341.927 2.926 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001440507470 1389709912 /nfs/dbraw/zinc/70/99/12/1389709912.db2.gz DLRVVZPAYOHHNQ-SJORKVTESA-N 2 1 341.927 2.926 10 30 EFEEMP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001440604324 1389768271 /nfs/dbraw/zinc/76/82/71/1389768271.db2.gz OLTAXEYYYWTJMR-OAHLLOKOSA-N 2 1 327.900 2.582 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@@H](F)C[NH+](CC)CC)CCC[C@@H]12 ZINC001441853267 1391424540 /nfs/dbraw/zinc/42/45/40/1391424540.db2.gz CQXRENFARIFKFP-ZMSDIMECSA-N 2 1 345.890 2.532 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@@H](F)C[NH+](CC)CC)CCC[C@@H]12 ZINC001441853267 1391424547 /nfs/dbraw/zinc/42/45/47/1391424547.db2.gz CQXRENFARIFKFP-ZMSDIMECSA-N 2 1 345.890 2.532 10 30 EFEEMP C=CCCC[N@H+](C)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001506960382 1406506136 /nfs/dbraw/zinc/50/61/36/1406506136.db2.gz AQOMRTCMQKWYPW-UHFFFAOYSA-N 2 1 333.520 2.751 10 30 EFEEMP C#CC[NH2+]CCC[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC001506978573 1406538700 /nfs/dbraw/zinc/53/87/00/1406538700.db2.gz ADJIYBJOVJLSNI-PMACEKPBSA-N 2 1 341.499 2.721 10 30 EFEEMP C=CCCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001507024042 1406605893 /nfs/dbraw/zinc/60/58/93/1406605893.db2.gz SUARSFCBYURBGH-MJGOQNOKSA-N 2 1 344.503 2.547 10 30 EFEEMP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001467407616 1396851444 /nfs/dbraw/zinc/85/14/44/1396851444.db2.gz BAIZNUHMHFBPOU-SFHVURJKSA-N 2 1 329.488 2.521 10 30 EFEEMP C=CCCCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001479241980 1397634547 /nfs/dbraw/zinc/63/45/47/1397634547.db2.gz TZEJLCKMJGWTOJ-FHWLQOOXSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001479241980 1397634553 /nfs/dbraw/zinc/63/45/53/1397634553.db2.gz TZEJLCKMJGWTOJ-FHWLQOOXSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001479241980 1397634559 /nfs/dbraw/zinc/63/45/59/1397634559.db2.gz TZEJLCKMJGWTOJ-FHWLQOOXSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001479246302 1397638882 /nfs/dbraw/zinc/63/88/82/1397638882.db2.gz MQNWGYVFCMCIFX-LPHOPBHVSA-N 2 1 339.499 2.698 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001479246302 1397638884 /nfs/dbraw/zinc/63/88/84/1397638884.db2.gz MQNWGYVFCMCIFX-LPHOPBHVSA-N 2 1 339.499 2.698 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001479246302 1397638885 /nfs/dbraw/zinc/63/88/85/1397638885.db2.gz MQNWGYVFCMCIFX-LPHOPBHVSA-N 2 1 339.499 2.698 10 30 EFEEMP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001479320191 1397683163 /nfs/dbraw/zinc/68/31/63/1397683163.db2.gz BEESKMOKQJOCJQ-DZJNRPSUSA-N 2 1 344.503 2.593 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001479474371 1397733197 /nfs/dbraw/zinc/73/31/97/1397733197.db2.gz PIISTXYWBBTPFG-OKZBNKHCSA-N 2 1 344.503 2.595 10 30 EFEEMP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001479487050 1397735697 /nfs/dbraw/zinc/73/56/97/1397735697.db2.gz PUOSUJMTBLKCPL-DFQSSKMNSA-N 2 1 341.499 2.577 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001479493378 1397736884 /nfs/dbraw/zinc/73/68/84/1397736884.db2.gz DZVZKZSUKFBVLR-CGTJXYLNSA-N 2 1 349.906 2.916 10 30 EFEEMP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+](C)CC(C)(C)C)C2)CC1 ZINC001479502315 1397739190 /nfs/dbraw/zinc/73/91/90/1397739190.db2.gz NPIZPENPAXLJKG-GOSISDBHSA-N 2 1 347.547 2.691 10 30 EFEEMP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+](C)CC(C)(C)C)C2)CC1 ZINC001479502318 1397739293 /nfs/dbraw/zinc/73/92/93/1397739293.db2.gz NPIZPENPAXLJKG-SFHVURJKSA-N 2 1 347.547 2.691 10 30 EFEEMP C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001479739327 1397792815 /nfs/dbraw/zinc/79/28/15/1397792815.db2.gz VHZTZUNYKXOKJZ-IBGZPJMESA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCCCC[NH+]1CCC(N(C)C(=O)Cn2c[nH+]cc2C)CC1 ZINC001479889426 1398002808 /nfs/dbraw/zinc/00/28/08/1398002808.db2.gz ZSUHKGNBRGYCOO-UHFFFAOYSA-N 2 1 332.492 2.861 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCC2(C[C@@H]2NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001479981529 1398066930 /nfs/dbraw/zinc/06/69/30/1398066930.db2.gz AYMCRPHPWRCAGP-RDJZCZTQSA-N 2 1 330.476 2.517 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCC2(C[C@H]2NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001479981527 1398067390 /nfs/dbraw/zinc/06/73/90/1398067390.db2.gz AYMCRPHPWRCAGP-NVXWUHKLSA-N 2 1 330.476 2.517 10 30 EFEEMP CC#CC[NH+]1CCC(N(CCC)C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001479993091 1398078483 /nfs/dbraw/zinc/07/84/83/1398078483.db2.gz JQOJXGQIUCTDKK-SFHVURJKSA-N 2 1 333.520 2.587 10 30 EFEEMP C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001480189838 1398158559 /nfs/dbraw/zinc/15/85/59/1398158559.db2.gz SVHDHTQCQXBEPF-UXHICEINSA-N 2 1 345.531 2.589 10 30 EFEEMP C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001480189839 1398158644 /nfs/dbraw/zinc/15/86/44/1398158644.db2.gz SVHDHTQCQXBEPF-VQTJNVASSA-N 2 1 345.531 2.589 10 30 EFEEMP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001480365065 1398179093 /nfs/dbraw/zinc/17/90/93/1398179093.db2.gz NBZWQHVSGUMGNY-PMACEKPBSA-N 2 1 341.499 2.673 10 30 EFEEMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001480660865 1398268580 /nfs/dbraw/zinc/26/85/80/1398268580.db2.gz JLEVCUWIZWFOQJ-HKUYNNGSSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001480711336 1398303757 /nfs/dbraw/zinc/30/37/57/1398303757.db2.gz WWLQPWQPMYAZDY-RBUKOAKNSA-N 2 1 329.488 2.712 10 30 EFEEMP C=CCC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001480711336 1398303767 /nfs/dbraw/zinc/30/37/67/1398303767.db2.gz WWLQPWQPMYAZDY-RBUKOAKNSA-N 2 1 329.488 2.712 10 30 EFEEMP C=CCCCCC[N@@H+](C)[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001480727961 1398310426 /nfs/dbraw/zinc/31/04/26/1398310426.db2.gz HXQSWSUNNXAEQH-SFHVURJKSA-N 2 1 332.492 2.861 10 30 EFEEMP C=CCCCCC[N@H+](C)[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001480727961 1398310435 /nfs/dbraw/zinc/31/04/35/1398310435.db2.gz HXQSWSUNNXAEQH-SFHVURJKSA-N 2 1 332.492 2.861 10 30 EFEEMP C=CCCC[N@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001507356463 1406944861 /nfs/dbraw/zinc/94/48/61/1406944861.db2.gz PNDCXYCOFUTZCF-UYAOXDASSA-N 2 1 333.520 2.942 10 30 EFEEMP C#CCC[NH+]1CC[C@]2(NC(=O)CC[N@H+](C)C3CCCCC3)CCC[C@@H]12 ZINC001507361075 1406952158 /nfs/dbraw/zinc/95/21/58/1406952158.db2.gz ZLKRSZDDAOHEER-TZIWHRDSSA-N 2 1 345.531 2.778 10 30 EFEEMP C#CCC[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C3CCCCC3)CCC[C@@H]12 ZINC001507361075 1406952165 /nfs/dbraw/zinc/95/21/65/1406952165.db2.gz ZLKRSZDDAOHEER-TZIWHRDSSA-N 2 1 345.531 2.778 10 30 EFEEMP C#CCC[N@H+]1CC[C@]2(NC(=O)CC[NH+](C)C3CCCCC3)CCC[C@@H]12 ZINC001507361075 1406952171 /nfs/dbraw/zinc/95/21/71/1406952171.db2.gz ZLKRSZDDAOHEER-TZIWHRDSSA-N 2 1 345.531 2.778 10 30 EFEEMP C#CCC[NH+]1CC[C@@]2(NC(=O)CC[N@H+](C)C3CCCCC3)CCC[C@H]12 ZINC001507361073 1406952229 /nfs/dbraw/zinc/95/22/29/1406952229.db2.gz ZLKRSZDDAOHEER-FPOVZHCZSA-N 2 1 345.531 2.778 10 30 EFEEMP C#CCC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C3CCCCC3)CCC[C@H]12 ZINC001507361073 1406952231 /nfs/dbraw/zinc/95/22/31/1406952231.db2.gz ZLKRSZDDAOHEER-FPOVZHCZSA-N 2 1 345.531 2.778 10 30 EFEEMP C#CCC[N@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C3CCCCC3)CCC[C@H]12 ZINC001507361073 1406952234 /nfs/dbraw/zinc/95/22/34/1406952234.db2.gz ZLKRSZDDAOHEER-FPOVZHCZSA-N 2 1 345.531 2.778 10 30 EFEEMP CCCCCCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001493205212 1398530802 /nfs/dbraw/zinc/53/08/02/1398530802.db2.gz CXHOPLYIPCBFEN-PKOBYXMFSA-N 2 1 335.536 2.737 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001493267000 1398574934 /nfs/dbraw/zinc/57/49/34/1398574934.db2.gz LZTNIUMQCJNTAF-MOPGFXCFSA-N 2 1 335.536 2.901 10 30 EFEEMP CC#CC[N@@H+](CCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C(C)C ZINC001493880057 1398948328 /nfs/dbraw/zinc/94/83/28/1398948328.db2.gz ZEKZBECTKKCYPA-IBGZPJMESA-N 2 1 335.536 2.737 10 30 EFEEMP C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001494158026 1399174500 /nfs/dbraw/zinc/17/45/00/1399174500.db2.gz WAUSKFYAWDWDQF-MSOLQXFVSA-N 2 1 344.503 2.500 10 30 EFEEMP C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001494158026 1399174503 /nfs/dbraw/zinc/17/45/03/1399174503.db2.gz WAUSKFYAWDWDQF-MSOLQXFVSA-N 2 1 344.503 2.500 10 30 EFEEMP C=C(Cl)C[NH+](C)CC1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001494213755 1399217582 /nfs/dbraw/zinc/21/75/82/1399217582.db2.gz AURFYCXZRUDGKM-IYBDPMFKSA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001494213755 1399217587 /nfs/dbraw/zinc/21/75/87/1399217587.db2.gz AURFYCXZRUDGKM-IYBDPMFKSA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[N@H+](C)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001494213755 1399217590 /nfs/dbraw/zinc/21/75/90/1399217590.db2.gz AURFYCXZRUDGKM-IYBDPMFKSA-N 2 1 341.927 2.782 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001494679771 1399427934 /nfs/dbraw/zinc/42/79/34/1399427934.db2.gz MMEUAEPOWAAUOF-NEWSRXKRSA-N 2 1 333.520 2.747 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001494861827 1399511627 /nfs/dbraw/zinc/51/16/27/1399511627.db2.gz KNVYYJXKAXOCGB-LJQANCHMSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1(C)C ZINC001507443757 1407059748 /nfs/dbraw/zinc/05/97/48/1407059748.db2.gz MNCSMKVNZCDUHK-ROUUACIJSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCCC[NH2+]C[C@]1(NC(=O)Cn2c[nH+]cc2C)CCCC[C@@H]1C ZINC001495320967 1399840978 /nfs/dbraw/zinc/84/09/78/1399840978.db2.gz MSSDXUKIPWRBNR-QFBILLFUSA-N 2 1 332.492 2.812 10 30 EFEEMP C=CC[NH2+]CC[C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001495355795 1399898805 /nfs/dbraw/zinc/89/88/05/1399898805.db2.gz HUYOCIJFKXYYND-IAGOWNOFSA-N 2 1 332.492 2.801 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CC/C=C/CC)CC1 ZINC001495415874 1399961058 /nfs/dbraw/zinc/96/10/58/1399961058.db2.gz NIEOVVOMCHUOCO-XJDXJNMNSA-N 2 1 345.531 2.659 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CC/C=C/CC)CC1 ZINC001495415874 1399961062 /nfs/dbraw/zinc/96/10/62/1399961062.db2.gz NIEOVVOMCHUOCO-XJDXJNMNSA-N 2 1 345.531 2.659 10 30 EFEEMP C#CCC[NH2+]CCC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001495437193 1399979762 /nfs/dbraw/zinc/97/97/62/1399979762.db2.gz HECKDLSFKOAKBS-HXUWFJFHSA-N 2 1 341.499 2.531 10 30 EFEEMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001495495754 1400029239 /nfs/dbraw/zinc/02/92/39/1400029239.db2.gz GZICOZHMXBRDCJ-IBGZPJMESA-N 2 1 329.488 2.841 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C)CC2 ZINC001495598826 1400105942 /nfs/dbraw/zinc/10/59/42/1400105942.db2.gz LGZCJFGOZRWQDV-ZWKOTPCHSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C)CC2 ZINC001495598826 1400105946 /nfs/dbraw/zinc/10/59/46/1400105946.db2.gz LGZCJFGOZRWQDV-ZWKOTPCHSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C)CC2 ZINC001495598826 1400105950 /nfs/dbraw/zinc/10/59/50/1400105950.db2.gz LGZCJFGOZRWQDV-ZWKOTPCHSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CCC2(C1)CCN(C(=O)C1(C[NH+](C)C)CC1)CC2 ZINC001495602078 1400111190 /nfs/dbraw/zinc/11/11/90/1400111190.db2.gz ZTIALCPPADHGHQ-GOSISDBHSA-N 2 1 347.547 2.997 10 30 EFEEMP C#CCC[NH2+]C1(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CCCC1 ZINC001495923201 1400356531 /nfs/dbraw/zinc/35/65/31/1400356531.db2.gz COUXEKJJGWEERZ-UHFFFAOYSA-N 2 1 333.520 2.681 10 30 EFEEMP C=CCCC[NH+]1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1C(C)C)CC2 ZINC001495978875 1400396123 /nfs/dbraw/zinc/39/61/23/1400396123.db2.gz RNWPKYGUNJIZKU-UHFFFAOYSA-N 2 1 344.503 2.897 10 30 EFEEMP C#CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001496504905 1400780488 /nfs/dbraw/zinc/78/04/88/1400780488.db2.gz MEKOVEOUJNYQOA-HXUWFJFHSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CC[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001496504905 1400780494 /nfs/dbraw/zinc/78/04/94/1400780494.db2.gz MEKOVEOUJNYQOA-HXUWFJFHSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CC[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001496504905 1400780499 /nfs/dbraw/zinc/78/04/99/1400780499.db2.gz MEKOVEOUJNYQOA-HXUWFJFHSA-N 2 1 345.531 2.587 10 30 EFEEMP C=CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001496504679 1400780583 /nfs/dbraw/zinc/78/05/83/1400780583.db2.gz VUKDKFIZSRZDQB-GOSISDBHSA-N 2 1 344.503 2.500 10 30 EFEEMP C=CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001496504679 1400780586 /nfs/dbraw/zinc/78/05/86/1400780586.db2.gz VUKDKFIZSRZDQB-GOSISDBHSA-N 2 1 344.503 2.500 10 30 EFEEMP C=CCC[C@@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001497441796 1401376675 /nfs/dbraw/zinc/37/66/75/1401376675.db2.gz KWNMKHNWHLZSQE-NVXWUHKLSA-N 2 1 332.492 2.547 10 30 EFEEMP C=CCC[C@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001497441795 1401377095 /nfs/dbraw/zinc/37/70/95/1401377095.db2.gz KWNMKHNWHLZSQE-DOTOQJQBSA-N 2 1 332.492 2.547 10 30 EFEEMP C#CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001498489961 1402142216 /nfs/dbraw/zinc/14/22/16/1402142216.db2.gz LRMCTGUOROZOGP-QUCCMNQESA-N 2 1 347.547 2.929 10 30 EFEEMP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001498613373 1402202337 /nfs/dbraw/zinc/20/23/37/1402202337.db2.gz CWJAQIABCZJIDU-MSOLQXFVSA-N 2 1 349.906 2.522 10 30 EFEEMP CC#CC[NH2+]C[C@H](NC(=O)[C@H](c1ccccc1)[N@H+](C)CC)C(C)(C)C ZINC001508029264 1407248710 /nfs/dbraw/zinc/24/87/10/1407248710.db2.gz DMAUUQOXHLSONM-OALUTQOASA-N 2 1 343.515 2.823 10 30 EFEEMP CCCCCCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001499048998 1402443958 /nfs/dbraw/zinc/44/39/58/1402443958.db2.gz STIWKABUCAVTAE-ROUUACIJSA-N 2 1 346.519 2.915 10 30 EFEEMP CCCCCCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001499048998 1402443961 /nfs/dbraw/zinc/44/39/61/1402443961.db2.gz STIWKABUCAVTAE-ROUUACIJSA-N 2 1 346.519 2.915 10 30 EFEEMP C=CCC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001499526834 1402661870 /nfs/dbraw/zinc/66/18/70/1402661870.db2.gz XSUGVAFHALBTGN-VQTJNVASSA-N 2 1 347.547 2.996 10 30 EFEEMP C=CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001499526834 1402661872 /nfs/dbraw/zinc/66/18/72/1402661872.db2.gz XSUGVAFHALBTGN-VQTJNVASSA-N 2 1 347.547 2.996 10 30 EFEEMP C=CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001499526834 1402661874 /nfs/dbraw/zinc/66/18/74/1402661874.db2.gz XSUGVAFHALBTGN-VQTJNVASSA-N 2 1 347.547 2.996 10 30 EFEEMP C=C(C)CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001499530309 1402665960 /nfs/dbraw/zinc/66/59/60/1402665960.db2.gz OZBUREFLHQRUDB-GOSISDBHSA-N 2 1 333.520 2.607 10 30 EFEEMP C=C(C)CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001499530309 1402665967 /nfs/dbraw/zinc/66/59/67/1402665967.db2.gz OZBUREFLHQRUDB-GOSISDBHSA-N 2 1 333.520 2.607 10 30 EFEEMP C=C(C)CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001499530309 1402665970 /nfs/dbraw/zinc/66/59/70/1402665970.db2.gz OZBUREFLHQRUDB-GOSISDBHSA-N 2 1 333.520 2.607 10 30 EFEEMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001499576583 1402694483 /nfs/dbraw/zinc/69/44/83/1402694483.db2.gz LRFXKFYRXSAIIZ-NRFANRHFSA-N 2 1 345.531 2.590 10 30 EFEEMP C=CCCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001499603036 1402710857 /nfs/dbraw/zinc/71/08/57/1402710857.db2.gz MMSNQEFZGBGAFF-NLWGTHIKSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001499603036 1402710858 /nfs/dbraw/zinc/71/08/58/1402710858.db2.gz MMSNQEFZGBGAFF-NLWGTHIKSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001499603036 1402710859 /nfs/dbraw/zinc/71/08/59/1402710859.db2.gz MMSNQEFZGBGAFF-NLWGTHIKSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001499747285 1402767840 /nfs/dbraw/zinc/76/78/40/1402767840.db2.gz MAYCSLOUDCRAAS-HNAYVOBHSA-N 2 1 339.499 2.696 10 30 EFEEMP C=CCCCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001499756348 1402772163 /nfs/dbraw/zinc/77/21/63/1402772163.db2.gz NFCFPJRHLDHJDK-HKUYNNGSSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001499756348 1402772164 /nfs/dbraw/zinc/77/21/64/1402772164.db2.gz NFCFPJRHLDHJDK-HKUYNNGSSA-N 2 1 333.520 2.892 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC/C=C/CC)CC1 ZINC001508075399 1407282767 /nfs/dbraw/zinc/28/27/67/1407282767.db2.gz WVLBBSMMSOVTKM-GGVAOPBYSA-N 2 1 345.531 2.657 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC/C=C/CC)CC1 ZINC001508075399 1407282772 /nfs/dbraw/zinc/28/27/72/1407282772.db2.gz WVLBBSMMSOVTKM-GGVAOPBYSA-N 2 1 345.531 2.657 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCC(C)(NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001499990331 1402885423 /nfs/dbraw/zinc/88/54/23/1402885423.db2.gz WONHHBIRJLYSFP-HNNXBMFYSA-N 2 1 348.491 2.675 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@@](C)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001500501738 1403175354 /nfs/dbraw/zinc/17/53/54/1403175354.db2.gz FUBYMKASSLKNRX-WMZOPIPTSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@@](C)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001500501738 1403175357 /nfs/dbraw/zinc/17/53/57/1403175357.db2.gz FUBYMKASSLKNRX-WMZOPIPTSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001500501738 1403175361 /nfs/dbraw/zinc/17/53/61/1403175361.db2.gz FUBYMKASSLKNRX-WMZOPIPTSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001500501738 1403175363 /nfs/dbraw/zinc/17/53/63/1403175363.db2.gz FUBYMKASSLKNRX-WMZOPIPTSA-N 2 1 341.927 2.832 10 30 EFEEMP C=CC[NH+]1CCC(C2(NC(=O)Cn3cc[nH+]c3C(C)C)CC2)CC1 ZINC001508165875 1407325938 /nfs/dbraw/zinc/32/59/38/1407325938.db2.gz LLYMPSXGCHWUOM-UHFFFAOYSA-N 2 1 330.476 2.553 10 30 EFEEMP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1ccccc1CC ZINC001501018453 1403407059 /nfs/dbraw/zinc/40/70/59/1403407059.db2.gz CHBCGJVTYOYWSU-SLFFLAALSA-N 2 1 343.515 2.912 10 30 EFEEMP C=CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1ccccc1CC ZINC001501018456 1403407134 /nfs/dbraw/zinc/40/71/34/1403407134.db2.gz CHBCGJVTYOYWSU-XUVXKRRUSA-N 2 1 343.515 2.912 10 30 EFEEMP CC#CC[NH2+][C@@H](CNC(=O)C[N@@H+](C)C1CCC1)c1ccccc1CC ZINC001501018607 1403407269 /nfs/dbraw/zinc/40/72/69/1403407269.db2.gz DTRJSNKKFGSPID-FQEVSTJZSA-N 2 1 341.499 2.504 10 30 EFEEMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001501169897 1403473386 /nfs/dbraw/zinc/47/33/86/1403473386.db2.gz IEEWFDLYFRRKNM-AKHDSKFASA-N 2 1 333.520 2.654 10 30 EFEEMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001501169897 1403473388 /nfs/dbraw/zinc/47/33/88/1403473388.db2.gz IEEWFDLYFRRKNM-AKHDSKFASA-N 2 1 333.520 2.654 10 30 EFEEMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001501169897 1403473390 /nfs/dbraw/zinc/47/33/90/1403473390.db2.gz IEEWFDLYFRRKNM-AKHDSKFASA-N 2 1 333.520 2.654 10 30 EFEEMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCCn1cc[nH+]c1C)C2 ZINC001501172507 1403475345 /nfs/dbraw/zinc/47/53/45/1403475345.db2.gz YOVDMBDJYPUCEJ-BCDXTJNWSA-N 2 1 330.476 2.517 10 30 EFEEMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCCn1cc[nH+]c1C)C2 ZINC001501172507 1403475346 /nfs/dbraw/zinc/47/53/46/1403475346.db2.gz YOVDMBDJYPUCEJ-BCDXTJNWSA-N 2 1 330.476 2.517 10 30 EFEEMP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCCC[NH+](C)C)C2 ZINC001501172442 1403475360 /nfs/dbraw/zinc/47/53/60/1403475360.db2.gz WTFOTUPZVKKORW-BJWYYQGGSA-N 2 1 341.927 2.830 10 30 EFEEMP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001501181507 1403479639 /nfs/dbraw/zinc/47/96/39/1403479639.db2.gz PJRQFQQMOWUFCU-MUGJNUQGSA-N 2 1 345.531 2.539 10 30 EFEEMP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001501197278 1403487878 /nfs/dbraw/zinc/48/78/78/1403487878.db2.gz GVSQLFKFADYNCB-HXUWFJFHSA-N 2 1 341.499 2.501 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@H]2C1 ZINC001501221812 1403498671 /nfs/dbraw/zinc/49/86/71/1403498671.db2.gz LPVPGGIFZNGEND-YRXWBPOGSA-N 2 1 333.520 2.606 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@H]2C1 ZINC001501221812 1403498679 /nfs/dbraw/zinc/49/86/79/1403498679.db2.gz LPVPGGIFZNGEND-YRXWBPOGSA-N 2 1 333.520 2.606 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@H]2C1 ZINC001501221812 1403498683 /nfs/dbraw/zinc/49/86/83/1403498683.db2.gz LPVPGGIFZNGEND-YRXWBPOGSA-N 2 1 333.520 2.606 10 30 EFEEMP C=CCCC[N@@H+]1CC=C(CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001508208557 1407348553 /nfs/dbraw/zinc/34/85/53/1407348553.db2.gz JDZGAGCZVIADCM-UHFFFAOYSA-N 2 1 331.504 2.577 10 30 EFEEMP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001501586883 1403637150 /nfs/dbraw/zinc/63/71/50/1403637150.db2.gz NKXHTKGLHFATQE-OALUTQOASA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001508211927 1407350026 /nfs/dbraw/zinc/35/00/26/1407350026.db2.gz CWNNTOUXILPTNC-KRWDZBQOSA-N 2 1 333.520 2.964 10 30 EFEEMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001501737145 1403754610 /nfs/dbraw/zinc/75/46/10/1403754610.db2.gz LIKMAVJMHCYQEG-GOSISDBHSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CCC1 ZINC001501961651 1403907843 /nfs/dbraw/zinc/90/78/43/1403907843.db2.gz FMMDCALVMPZIDT-SFHVURJKSA-N 2 1 333.520 2.988 10 30 EFEEMP C=CCCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001502545673 1404234965 /nfs/dbraw/zinc/23/49/65/1404234965.db2.gz FKBFJCWRGOYSNW-UYAOXDASSA-N 2 1 333.520 2.609 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001502545673 1404234974 /nfs/dbraw/zinc/23/49/74/1404234974.db2.gz FKBFJCWRGOYSNW-UYAOXDASSA-N 2 1 333.520 2.609 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001502545673 1404234982 /nfs/dbraw/zinc/23/49/82/1404234982.db2.gz FKBFJCWRGOYSNW-UYAOXDASSA-N 2 1 333.520 2.609 10 30 EFEEMP C=CCCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)cc2C1 ZINC001502648057 1404280862 /nfs/dbraw/zinc/28/08/62/1404280862.db2.gz DHTGITIRWRJVBY-OXQOHEQNSA-N 2 1 341.499 2.925 10 30 EFEEMP C=CCCC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)cc2C1 ZINC001502648057 1404280866 /nfs/dbraw/zinc/28/08/66/1404280866.db2.gz DHTGITIRWRJVBY-OXQOHEQNSA-N 2 1 341.499 2.925 10 30 EFEEMP C=CCCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)cc2C1 ZINC001502648057 1404280870 /nfs/dbraw/zinc/28/08/70/1404280870.db2.gz DHTGITIRWRJVBY-OXQOHEQNSA-N 2 1 341.499 2.925 10 30 EFEEMP C=CCC[N@@H+]1Cc2ccc(CNC(=O)C3(C[NH+](C)C)CC3)cc2C1 ZINC001502650979 1404284350 /nfs/dbraw/zinc/28/43/50/1404284350.db2.gz UBAQWBIYCLCGTA-UHFFFAOYSA-N 2 1 327.472 2.536 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001502741296 1404319442 /nfs/dbraw/zinc/31/94/42/1404319442.db2.gz CCVSYOFGASZVEY-ICSRJNTNSA-N 2 1 343.515 2.564 10 30 EFEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C(C)(C)C1 ZINC001502830011 1404381791 /nfs/dbraw/zinc/38/17/91/1404381791.db2.gz CHHSFMAXZNFVAF-LJQANCHMSA-N 2 1 347.547 2.881 10 30 EFEEMP CC#CC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C(C)(C)C1 ZINC001502830011 1404381796 /nfs/dbraw/zinc/38/17/96/1404381796.db2.gz CHHSFMAXZNFVAF-LJQANCHMSA-N 2 1 347.547 2.881 10 30 EFEEMP CC#CC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C(C)(C)C1 ZINC001502830011 1404381802 /nfs/dbraw/zinc/38/18/02/1404381802.db2.gz CHHSFMAXZNFVAF-LJQANCHMSA-N 2 1 347.547 2.881 10 30 EFEEMP C=CCCC[NH2+][C@@H](C)CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001503473281 1404485634 /nfs/dbraw/zinc/48/56/34/1404485634.db2.gz KIQKNUWCQYNMOA-MAUKXSAKSA-N 2 1 327.488 2.650 10 30 EFEEMP C=C(C)CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)CC[NH+](C)C ZINC001503678298 1404497843 /nfs/dbraw/zinc/49/78/43/1404497843.db2.gz OCWQWICVDMVJMV-IBGZPJMESA-N 2 1 329.488 2.620 10 30 EFEEMP C=CCC[N@H+](CC)CC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001505396567 1404548676 /nfs/dbraw/zinc/54/86/76/1404548676.db2.gz KVPHMKODZIXDHD-LJQANCHMSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[NH+](CC)CC1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001505396567 1404548681 /nfs/dbraw/zinc/54/86/81/1404548681.db2.gz KVPHMKODZIXDHD-LJQANCHMSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[NH+](CC)CC1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001505396567 1404548687 /nfs/dbraw/zinc/54/86/87/1404548687.db2.gz KVPHMKODZIXDHD-LJQANCHMSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001505437708 1404608073 /nfs/dbraw/zinc/60/80/73/1404608073.db2.gz XLDFLUQCVYQCBE-MOPGFXCFSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001505437708 1404608086 /nfs/dbraw/zinc/60/80/86/1404608086.db2.gz XLDFLUQCVYQCBE-MOPGFXCFSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001505437708 1404608101 /nfs/dbraw/zinc/60/81/01/1404608101.db2.gz XLDFLUQCVYQCBE-MOPGFXCFSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001505442916 1404626259 /nfs/dbraw/zinc/62/62/59/1404626259.db2.gz ARFTVMNBINXFJL-IAGOWNOFSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001505442916 1404626272 /nfs/dbraw/zinc/62/62/72/1404626272.db2.gz ARFTVMNBINXFJL-IAGOWNOFSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001505442916 1404626285 /nfs/dbraw/zinc/62/62/85/1404626285.db2.gz ARFTVMNBINXFJL-IAGOWNOFSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001505442916 1404626301 /nfs/dbraw/zinc/62/63/01/1404626301.db2.gz ARFTVMNBINXFJL-IAGOWNOFSA-N 2 1 341.927 2.784 10 30 EFEEMP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001505446985 1404640251 /nfs/dbraw/zinc/64/02/51/1404640251.db2.gz WUWZMCIFXQSBNY-LPHOPBHVSA-N 2 1 339.499 2.698 10 30 EFEEMP C=CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001505446985 1404640267 /nfs/dbraw/zinc/64/02/67/1404640267.db2.gz WUWZMCIFXQSBNY-LPHOPBHVSA-N 2 1 339.499 2.698 10 30 EFEEMP C=CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001505446985 1404640281 /nfs/dbraw/zinc/64/02/81/1404640281.db2.gz WUWZMCIFXQSBNY-LPHOPBHVSA-N 2 1 339.499 2.698 10 30 EFEEMP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001505465854 1404692175 /nfs/dbraw/zinc/69/21/75/1404692175.db2.gz NLBFZZASIFKTOE-IBGZPJMESA-N 2 1 329.488 2.861 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001505471889 1404706100 /nfs/dbraw/zinc/70/61/00/1404706100.db2.gz COLYPIWZUMYHQH-RTBURBONSA-N 2 1 335.536 2.855 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCCC[NH+](C)C)CC2)C1 ZINC001505476346 1404714191 /nfs/dbraw/zinc/71/41/91/1404714191.db2.gz XEEPDHARUFNRNC-FQEVSTJZSA-N 2 1 347.547 2.692 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CCCC2CCCC2)CC1 ZINC001506064825 1405423913 /nfs/dbraw/zinc/42/39/13/1405423913.db2.gz DFBMBUQFCHNCPZ-GOSISDBHSA-N 2 1 347.547 2.739 10 30 EFEEMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001506588732 1406014305 /nfs/dbraw/zinc/01/43/05/1406014305.db2.gz ZCJXRAGOPSIZID-IBGZPJMESA-N 2 1 333.520 2.637 10 30 EFEEMP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001565908708 1415448182 /nfs/dbraw/zinc/44/81/82/1415448182.db2.gz WOEWPJWARYUNPI-FCEWJHQRSA-N 2 1 339.499 2.650 10 30 EFEEMP C#CCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001565940815 1415458597 /nfs/dbraw/zinc/45/85/97/1415458597.db2.gz DLSCGRLTFHLREY-HKUYNNGSSA-N 2 1 344.503 2.602 10 30 EFEEMP C=CCCC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@H+](C)CCC)C(C)(C)[C@H]21 ZINC001565994393 1415474216 /nfs/dbraw/zinc/47/42/16/1415474216.db2.gz FYFGWAMWNBRVRG-QRQLOZEOSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)CCC)C(C)(C)[C@H]21 ZINC001565994393 1415474218 /nfs/dbraw/zinc/47/42/18/1415474218.db2.gz FYFGWAMWNBRVRG-QRQLOZEOSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)CCC)C(C)(C)[C@H]21 ZINC001565994393 1415474221 /nfs/dbraw/zinc/47/42/21/1415474221.db2.gz FYFGWAMWNBRVRG-QRQLOZEOSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001566000550 1415477741 /nfs/dbraw/zinc/47/77/41/1415477741.db2.gz HECBZBYSUGWQIC-WOJBJXKFSA-N 2 1 343.515 2.879 10 30 EFEEMP C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001566000550 1415477742 /nfs/dbraw/zinc/47/77/42/1415477742.db2.gz HECBZBYSUGWQIC-WOJBJXKFSA-N 2 1 343.515 2.879 10 30 EFEEMP C=CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001566000550 1415477743 /nfs/dbraw/zinc/47/77/43/1415477743.db2.gz HECBZBYSUGWQIC-WOJBJXKFSA-N 2 1 343.515 2.879 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001566625903 1415703175 /nfs/dbraw/zinc/70/31/75/1415703175.db2.gz TXQSFLODMQGGEO-IEBWSBKVSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001566625903 1415703176 /nfs/dbraw/zinc/70/31/76/1415703176.db2.gz TXQSFLODMQGGEO-IEBWSBKVSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001566625903 1415703178 /nfs/dbraw/zinc/70/31/78/1415703178.db2.gz TXQSFLODMQGGEO-IEBWSBKVSA-N 2 1 333.520 2.940 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCCC(C)(C)C)C2)CC1 ZINC001566632552 1415707517 /nfs/dbraw/zinc/70/75/17/1415707517.db2.gz AHLONKPPQWWVDC-IBGZPJMESA-N 2 1 347.547 2.739 10 30 EFEEMP CC#CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001566697550 1415736972 /nfs/dbraw/zinc/73/69/72/1415736972.db2.gz DNGHQPBKDBGWPW-IBGZPJMESA-N 2 1 333.520 2.586 10 30 EFEEMP C=CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001566697701 1415737860 /nfs/dbraw/zinc/73/78/60/1415737860.db2.gz KJIGNROENZKFKL-HKUYNNGSSA-N 2 1 333.520 2.892 10 30 EFEEMP C#CCC[NH+]1CCC(N(CCC)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001566699654 1415738370 /nfs/dbraw/zinc/73/83/70/1415738370.db2.gz PARQTOWGWDXZFD-UHFFFAOYSA-N 2 1 344.503 2.733 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CC(CC)CC)C1 ZINC001566739565 1415753044 /nfs/dbraw/zinc/75/30/44/1415753044.db2.gz FWGAISUPZJLYFH-UXHICEINSA-N 2 1 347.547 2.691 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)CC(CC)CC)C1 ZINC001566739565 1415753049 /nfs/dbraw/zinc/75/30/49/1415753049.db2.gz FWGAISUPZJLYFH-UXHICEINSA-N 2 1 347.547 2.691 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CC(CC)CC)C1 ZINC001566739565 1415753054 /nfs/dbraw/zinc/75/30/54/1415753054.db2.gz FWGAISUPZJLYFH-UXHICEINSA-N 2 1 347.547 2.691 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CC(CC)CC)C1 ZINC001566739565 1415753056 /nfs/dbraw/zinc/75/30/56/1415753056.db2.gz FWGAISUPZJLYFH-UXHICEINSA-N 2 1 347.547 2.691 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001566759045 1415766385 /nfs/dbraw/zinc/76/63/85/1415766385.db2.gz YXJOMQPCMJZMNM-QRVBRYPASA-N 2 1 333.520 2.892 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001566849122 1415798247 /nfs/dbraw/zinc/79/82/47/1415798247.db2.gz DFKWPEIUHMMVEX-SCTDSRPQSA-N 2 1 333.520 2.987 10 30 EFEEMP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001566878473 1415819408 /nfs/dbraw/zinc/81/94/08/1415819408.db2.gz QVPHKXQLYKVDFC-APWZRJJASA-N 2 1 339.499 2.603 10 30 EFEEMP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001566878473 1415819414 /nfs/dbraw/zinc/81/94/14/1415819414.db2.gz QVPHKXQLYKVDFC-APWZRJJASA-N 2 1 339.499 2.603 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001566878473 1415819419 /nfs/dbraw/zinc/81/94/19/1415819419.db2.gz QVPHKXQLYKVDFC-APWZRJJASA-N 2 1 339.499 2.603 10 30 EFEEMP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001566895331 1415828339 /nfs/dbraw/zinc/82/83/39/1415828339.db2.gz GTYGCOPIPBPIII-HKUYNNGSSA-N 2 1 333.520 2.798 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001566895333 1415828472 /nfs/dbraw/zinc/82/84/72/1415828472.db2.gz GTYGCOPIPBPIII-MJGOQNOKSA-N 2 1 333.520 2.798 10 30 EFEEMP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001566938569 1415858393 /nfs/dbraw/zinc/85/83/93/1415858393.db2.gz TYIBHZRVHRLUCA-AZUAARDMSA-N 2 1 345.531 2.635 10 30 EFEEMP C#CCC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001566962971 1415876656 /nfs/dbraw/zinc/87/66/56/1415876656.db2.gz OHCOVGDHSKSAHS-QZTJIDSGSA-N 2 1 347.547 2.879 10 30 EFEEMP C#CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001566962971 1415876660 /nfs/dbraw/zinc/87/66/60/1415876660.db2.gz OHCOVGDHSKSAHS-QZTJIDSGSA-N 2 1 347.547 2.879 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001566962971 1415876662 /nfs/dbraw/zinc/87/66/62/1415876662.db2.gz OHCOVGDHSKSAHS-QZTJIDSGSA-N 2 1 347.547 2.879 10 30 EFEEMP CC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001567169751 1415967384 /nfs/dbraw/zinc/96/73/84/1415967384.db2.gz RKCAUMRNZZUBKZ-QZTJIDSGSA-N 2 1 333.520 2.681 10 30 EFEEMP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001567193615 1415986180 /nfs/dbraw/zinc/98/61/80/1415986180.db2.gz XTCXAUNWXJJJQM-GOSISDBHSA-N 2 1 333.520 2.751 10 30 EFEEMP C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001567199069 1415990640 /nfs/dbraw/zinc/99/06/40/1415990640.db2.gz BWMWAFVRTAZIRT-IBGZPJMESA-N 2 1 335.536 2.996 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001567255747 1416027192 /nfs/dbraw/zinc/02/71/92/1416027192.db2.gz XCMAEDDCQJCLOJ-UYAOXDASSA-N 2 1 345.531 2.778 10 30 EFEEMP C#CCC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001567255747 1416027195 /nfs/dbraw/zinc/02/71/95/1416027195.db2.gz XCMAEDDCQJCLOJ-UYAOXDASSA-N 2 1 345.531 2.778 10 30 EFEEMP C#CCC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001567255747 1416027200 /nfs/dbraw/zinc/02/72/00/1416027200.db2.gz XCMAEDDCQJCLOJ-UYAOXDASSA-N 2 1 345.531 2.778 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001567409391 1416123293 /nfs/dbraw/zinc/12/32/93/1416123293.db2.gz GWPQKKCLRINRPI-QFBILLFUSA-N 2 1 339.499 2.603 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001567409391 1416123294 /nfs/dbraw/zinc/12/32/94/1416123294.db2.gz GWPQKKCLRINRPI-QFBILLFUSA-N 2 1 339.499 2.603 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001567409391 1416123295 /nfs/dbraw/zinc/12/32/95/1416123295.db2.gz GWPQKKCLRINRPI-QFBILLFUSA-N 2 1 339.499 2.603 10 30 EFEEMP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001567625404 1416214795 /nfs/dbraw/zinc/21/47/95/1416214795.db2.gz ULQVXDJAKCVSNY-SJORKVTESA-N 2 1 344.503 2.637 10 30 EFEEMP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001567630010 1416216955 /nfs/dbraw/zinc/21/69/55/1416216955.db2.gz JFUIMKUDNLFOCF-YJBOKZPZSA-N 2 1 344.503 2.547 10 30 EFEEMP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001567631728 1416218283 /nfs/dbraw/zinc/21/82/83/1416218283.db2.gz UFUMILZMBXXATN-MRXNPFEDSA-N 2 1 332.492 2.799 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001567685213 1416246712 /nfs/dbraw/zinc/24/67/12/1416246712.db2.gz BJUBWDYRKBIGGY-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001567685213 1416246718 /nfs/dbraw/zinc/24/67/18/1416246718.db2.gz BJUBWDYRKBIGGY-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001567685213 1416246721 /nfs/dbraw/zinc/24/67/21/1416246721.db2.gz BJUBWDYRKBIGGY-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001567685214 1416247404 /nfs/dbraw/zinc/24/74/04/1416247404.db2.gz BJUBWDYRKBIGGY-RBUKOAKNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001567685214 1416247406 /nfs/dbraw/zinc/24/74/06/1416247406.db2.gz BJUBWDYRKBIGGY-RBUKOAKNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001567685214 1416247407 /nfs/dbraw/zinc/24/74/07/1416247407.db2.gz BJUBWDYRKBIGGY-RBUKOAKNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001567735819 1416264747 /nfs/dbraw/zinc/26/47/47/1416264747.db2.gz QJIPTAKYAOFIEA-GOSISDBHSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001567735819 1416264748 /nfs/dbraw/zinc/26/47/48/1416264748.db2.gz QJIPTAKYAOFIEA-GOSISDBHSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001567735819 1416264753 /nfs/dbraw/zinc/26/47/53/1416264753.db2.gz QJIPTAKYAOFIEA-GOSISDBHSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001567774617 1416280341 /nfs/dbraw/zinc/28/03/41/1416280341.db2.gz FSAXUUOXGBKNIL-INIZCTEOSA-N 2 1 326.444 2.803 10 30 EFEEMP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001568061917 1416386732 /nfs/dbraw/zinc/38/67/32/1416386732.db2.gz QZYDCEUIAKWDII-MOPGFXCFSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001568072719 1416396128 /nfs/dbraw/zinc/39/61/28/1416396128.db2.gz GRXZRTNZQXQRNO-ICSRJNTNSA-N 2 1 333.520 2.657 10 30 EFEEMP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001568129110 1416420869 /nfs/dbraw/zinc/42/08/69/1416420869.db2.gz UXAHDPJODIBIOW-HKUYNNGSSA-N 2 1 335.536 2.901 10 30 EFEEMP CC#CC[NH+]1CCC(CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001568132359 1416421701 /nfs/dbraw/zinc/42/17/01/1416421701.db2.gz ZCJVRGWDOQIGBP-HXUWFJFHSA-N 2 1 341.499 2.531 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)CC2 ZINC001568154974 1416427339 /nfs/dbraw/zinc/42/73/39/1416427339.db2.gz BKJZPJMSEKPHID-MOPGFXCFSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCC2(C1)CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)CC2 ZINC001568154974 1416427343 /nfs/dbraw/zinc/42/73/43/1416427343.db2.gz BKJZPJMSEKPHID-MOPGFXCFSA-N 2 1 347.547 2.997 10 30 EFEEMP C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001568336216 1416481158 /nfs/dbraw/zinc/48/11/58/1416481158.db2.gz OTVDRLTXISTCJQ-APWZRJJASA-N 2 1 341.515 2.896 10 30 EFEEMP C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001568336217 1416481177 /nfs/dbraw/zinc/48/11/77/1416481177.db2.gz OTVDRLTXISTCJQ-LPHOPBHVSA-N 2 1 341.515 2.896 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC001568348846 1416486104 /nfs/dbraw/zinc/48/61/04/1416486104.db2.gz KLVBOKHSUXXLGX-IEBWSBKVSA-N 2 1 335.536 2.949 10 30 EFEEMP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001568386029 1416506195 /nfs/dbraw/zinc/50/61/95/1416506195.db2.gz SRYQSQWTRVGSOO-DLBZAZTESA-N 2 1 332.492 2.943 10 30 EFEEMP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001568386032 1416506370 /nfs/dbraw/zinc/50/63/70/1416506370.db2.gz SRYQSQWTRVGSOO-SJORKVTESA-N 2 1 332.492 2.943 10 30 EFEEMP C=C(C)C[N@@H+](CCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC001691751495 1416665398 /nfs/dbraw/zinc/66/53/98/1416665398.db2.gz LDXUNQPGAHJRGY-KRWDZBQOSA-N 2 1 332.492 2.547 10 30 EFEEMP C=C(C)C[N@H+](CCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC001691751495 1416665402 /nfs/dbraw/zinc/66/54/02/1416665402.db2.gz LDXUNQPGAHJRGY-KRWDZBQOSA-N 2 1 332.492 2.547 10 30 EFEEMP CC#CC[NH+]1CCC(N(CCC)C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001690135879 1417163095 /nfs/dbraw/zinc/16/30/95/1417163095.db2.gz WTQIWPMORUMLPZ-AZUAARDMSA-N 2 1 345.531 2.730 10 30 EFEEMP CCC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001690639591 1417223453 /nfs/dbraw/zinc/22/34/53/1417223453.db2.gz AROBRMQOMMJBBK-MRXNPFEDSA-N 2 1 349.906 2.518 10 30 EFEEMP CC#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001692252096 1417266921 /nfs/dbraw/zinc/26/69/21/1417266921.db2.gz GZECHUJYPLOAKI-ROUUACIJSA-N 2 1 344.503 2.733 10 30 EFEEMP CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001692252096 1417266925 /nfs/dbraw/zinc/26/69/25/1417266925.db2.gz GZECHUJYPLOAKI-ROUUACIJSA-N 2 1 344.503 2.733 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001698710474 1417316340 /nfs/dbraw/zinc/31/63/40/1417316340.db2.gz XZNPEGHTTLGWAB-MKXGPGLRSA-N 2 1 333.520 2.987 10 30 EFEEMP C=C(C)C[NH+]1CCC(CCNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001698727147 1417320763 /nfs/dbraw/zinc/32/07/63/1417320763.db2.gz UJXPKFVBANWSRG-UHFFFAOYSA-N 2 1 343.515 2.913 10 30 EFEEMP C=C(C)C[NH+]1CCC(CCNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001698727147 1417320769 /nfs/dbraw/zinc/32/07/69/1417320769.db2.gz UJXPKFVBANWSRG-UHFFFAOYSA-N 2 1 343.515 2.913 10 30 EFEEMP C=CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001698942191 1417352361 /nfs/dbraw/zinc/35/23/61/1417352361.db2.gz ZINRRUKPRWCJTN-ICSRJNTNSA-N 2 1 343.515 2.911 10 30 EFEEMP C=CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001698942191 1417352365 /nfs/dbraw/zinc/35/23/65/1417352365.db2.gz ZINRRUKPRWCJTN-ICSRJNTNSA-N 2 1 343.515 2.911 10 30 EFEEMP C=CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001698942192 1417352756 /nfs/dbraw/zinc/35/27/56/1417352756.db2.gz ZINRRUKPRWCJTN-QUCCMNQESA-N 2 1 343.515 2.911 10 30 EFEEMP C=CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001698942192 1417352762 /nfs/dbraw/zinc/35/27/62/1417352762.db2.gz ZINRRUKPRWCJTN-QUCCMNQESA-N 2 1 343.515 2.911 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CCCn3cc[nH+]c3C)CC[C@@H]21 ZINC001699022299 1417373450 /nfs/dbraw/zinc/37/34/50/1417373450.db2.gz RPAVBPRXXGAVPQ-OALUTQOASA-N 2 1 344.503 2.861 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)CCCn3cc[nH+]c3C)CC[C@@H]21 ZINC001699022299 1417373456 /nfs/dbraw/zinc/37/34/56/1417373456.db2.gz RPAVBPRXXGAVPQ-OALUTQOASA-N 2 1 344.503 2.861 10 30 EFEEMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001699672804 1417446044 /nfs/dbraw/zinc/44/60/44/1417446044.db2.gz FITVQLMJEFABSQ-VQTJNVASSA-N 2 1 345.531 2.589 10 30 EFEEMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001699672802 1417446302 /nfs/dbraw/zinc/44/63/02/1417446302.db2.gz FITVQLMJEFABSQ-PMACEKPBSA-N 2 1 345.531 2.589 10 30 EFEEMP CC#CC[N@@H+](CC1CC1)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001699688677 1417453343 /nfs/dbraw/zinc/45/33/43/1417453343.db2.gz IAQZFYUDMWWXPY-HDICACEKSA-N 2 1 345.531 2.586 10 30 EFEEMP CC#CC[NH+](CC1CC1)C1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001699688677 1417453345 /nfs/dbraw/zinc/45/33/45/1417453345.db2.gz IAQZFYUDMWWXPY-HDICACEKSA-N 2 1 345.531 2.586 10 30 EFEEMP CC#CC[NH+](CC1CC1)C1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001699688677 1417453349 /nfs/dbraw/zinc/45/33/49/1417453349.db2.gz IAQZFYUDMWWXPY-HDICACEKSA-N 2 1 345.531 2.586 10 30 EFEEMP C=CC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001700089860 1417561764 /nfs/dbraw/zinc/56/17/64/1417561764.db2.gz CKYLROYQNNUEJI-WOJBJXKFSA-N 2 1 341.499 2.938 10 30 EFEEMP C=CC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001700089860 1417561766 /nfs/dbraw/zinc/56/17/66/1417561766.db2.gz CKYLROYQNNUEJI-WOJBJXKFSA-N 2 1 341.499 2.938 10 30 EFEEMP C=CC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001700089860 1417561768 /nfs/dbraw/zinc/56/17/68/1417561768.db2.gz CKYLROYQNNUEJI-WOJBJXKFSA-N 2 1 341.499 2.938 10 30 EFEEMP C=C(Cl)C[N@@H+](C)CCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001712962359 1418300457 /nfs/dbraw/zinc/30/04/57/1418300457.db2.gz LFVBPZVWISMVJW-UHFFFAOYSA-N 2 1 329.916 2.689 10 30 EFEEMP C=C(Cl)C[N@H+](C)CCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001712962359 1418300460 /nfs/dbraw/zinc/30/04/60/1418300460.db2.gz LFVBPZVWISMVJW-UHFFFAOYSA-N 2 1 329.916 2.689 10 30 EFEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001713132718 1418334994 /nfs/dbraw/zinc/33/49/94/1418334994.db2.gz FHMQQBWIXBFURC-IBGZPJMESA-N 2 1 347.547 2.692 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC/C=C\CCC)C1 ZINC001713215817 1418385853 /nfs/dbraw/zinc/38/58/53/1418385853.db2.gz SLUQSZMFQYXJGQ-XOUUWWQPSA-N 2 1 345.531 2.659 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC/C=C\CCC)C1 ZINC001713215817 1418385859 /nfs/dbraw/zinc/38/58/59/1418385859.db2.gz SLUQSZMFQYXJGQ-XOUUWWQPSA-N 2 1 345.531 2.659 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC/C=C\CCC)C1 ZINC001713215817 1418385863 /nfs/dbraw/zinc/38/58/63/1418385863.db2.gz SLUQSZMFQYXJGQ-XOUUWWQPSA-N 2 1 345.531 2.659 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC/C=C\CCC)C1 ZINC001713215817 1418385869 /nfs/dbraw/zinc/38/58/69/1418385869.db2.gz SLUQSZMFQYXJGQ-XOUUWWQPSA-N 2 1 345.531 2.659 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001713220082 1418393599 /nfs/dbraw/zinc/39/35/99/1418393599.db2.gz DVZJFXDCYZAHCW-QGZVFWFLSA-N 2 1 332.492 2.801 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001713220082 1418393605 /nfs/dbraw/zinc/39/36/05/1418393605.db2.gz DVZJFXDCYZAHCW-QGZVFWFLSA-N 2 1 332.492 2.801 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713223711 1418395323 /nfs/dbraw/zinc/39/53/23/1418395323.db2.gz FWZFZEUGTQXNJD-RBUKOAKNSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001713259500 1418428781 /nfs/dbraw/zinc/42/87/81/1418428781.db2.gz UVPPUMJNCYQCCI-OALUTQOASA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001713259500 1418428785 /nfs/dbraw/zinc/42/87/85/1418428785.db2.gz UVPPUMJNCYQCCI-OALUTQOASA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001713269477 1418436051 /nfs/dbraw/zinc/43/60/51/1418436051.db2.gz DRUUQOMTNWQTNE-ZWKOTPCHSA-N 2 1 333.520 2.750 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](CCCC=C)C2)CC1 ZINC001713278688 1418448499 /nfs/dbraw/zinc/44/84/99/1418448499.db2.gz HDJPCKKXFQUUFZ-QUCCMNQESA-N 2 1 345.531 2.515 10 30 EFEEMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001713360610 1418490595 /nfs/dbraw/zinc/49/05/95/1418490595.db2.gz MCKOTOWPXLKMIY-PKOBYXMFSA-N 2 1 329.488 2.694 10 30 EFEEMP C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001713395228 1418505198 /nfs/dbraw/zinc/50/51/98/1418505198.db2.gz DTEIVXQGINZBHO-PKOBYXMFSA-N 2 1 344.503 2.643 10 30 EFEEMP C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001713395228 1418505202 /nfs/dbraw/zinc/50/52/02/1418505202.db2.gz DTEIVXQGINZBHO-PKOBYXMFSA-N 2 1 344.503 2.643 10 30 EFEEMP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001713396248 1418505948 /nfs/dbraw/zinc/50/59/48/1418505948.db2.gz AOCOFWALBNOKNK-HXUWFJFHSA-N 2 1 343.515 2.903 10 30 EFEEMP C=CCCCCC[N@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001713397022 1418506360 /nfs/dbraw/zinc/50/63/60/1418506360.db2.gz IOONJEFGQJZVPO-IBGZPJMESA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@@H]1CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001713435833 1418528890 /nfs/dbraw/zinc/52/88/90/1418528890.db2.gz YWCISFKRIZRAIM-INIZCTEOSA-N 2 1 339.911 2.728 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001713514553 1418555256 /nfs/dbraw/zinc/55/52/56/1418555256.db2.gz CUUGXTLFQBQGJJ-IRXDYDNUSA-N 2 1 332.492 2.942 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001713514553 1418555260 /nfs/dbraw/zinc/55/52/60/1418555260.db2.gz CUUGXTLFQBQGJJ-IRXDYDNUSA-N 2 1 332.492 2.942 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001713721221 1418571161 /nfs/dbraw/zinc/57/11/61/1418571161.db2.gz MGVFDMKTLKXFFN-WMZOPIPTSA-N 2 1 332.492 2.867 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001713721221 1418571169 /nfs/dbraw/zinc/57/11/69/1418571169.db2.gz MGVFDMKTLKXFFN-WMZOPIPTSA-N 2 1 332.492 2.867 10 30 EFEEMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)cc1 ZINC001714321749 1418600839 /nfs/dbraw/zinc/60/08/39/1418600839.db2.gz ATPQAHVXLRBPLM-RTBURBONSA-N 2 1 327.472 2.595 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)CCC)C1 ZINC001716706517 1418965775 /nfs/dbraw/zinc/96/57/75/1418965775.db2.gz QSJLEAKWFZGOQD-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001716706517 1418965777 /nfs/dbraw/zinc/96/57/77/1418965777.db2.gz QSJLEAKWFZGOQD-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001716706517 1418965779 /nfs/dbraw/zinc/96/57/79/1418965779.db2.gz QSJLEAKWFZGOQD-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001716712624 1418968391 /nfs/dbraw/zinc/96/83/91/1418968391.db2.gz QYAHFHGYVNBMQJ-UXHICEINSA-N 2 1 341.499 2.760 10 30 EFEEMP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)Cc1ccccc1 ZINC001716712624 1418968395 /nfs/dbraw/zinc/96/83/95/1418968395.db2.gz QYAHFHGYVNBMQJ-UXHICEINSA-N 2 1 341.499 2.760 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)Cc1ccccc1 ZINC001716712624 1418968398 /nfs/dbraw/zinc/96/83/98/1418968398.db2.gz QYAHFHGYVNBMQJ-UXHICEINSA-N 2 1 341.499 2.760 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)Cc1ccccc1 ZINC001716712624 1418968401 /nfs/dbraw/zinc/96/84/01/1418968401.db2.gz QYAHFHGYVNBMQJ-UXHICEINSA-N 2 1 341.499 2.760 10 30 EFEEMP C#CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)C1CCCCCC1 ZINC001716713168 1418969410 /nfs/dbraw/zinc/96/94/10/1418969410.db2.gz CILOQSNWFFBAHV-UHFFFAOYSA-N 2 1 333.520 2.635 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001716723306 1418974649 /nfs/dbraw/zinc/97/46/49/1418974649.db2.gz DLQRPJABFGYNGG-PXNSSMCTSA-N 2 1 344.503 2.861 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001716723306 1418974650 /nfs/dbraw/zinc/97/46/50/1418974650.db2.gz DLQRPJABFGYNGG-PXNSSMCTSA-N 2 1 344.503 2.861 10 30 EFEEMP C#CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001716811042 1419024129 /nfs/dbraw/zinc/02/41/29/1419024129.db2.gz LPARMYIOZWPQSB-GOSISDBHSA-N 2 1 347.547 2.691 10 30 EFEEMP C=CC[NH+]1CCC(C)(CNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001716889327 1419076369 /nfs/dbraw/zinc/07/63/69/1419076369.db2.gz FONYPHUSRNIWON-UHFFFAOYSA-N 2 1 329.488 2.523 10 30 EFEEMP C=CC[NH+]1CCC(C)(CNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001716889327 1419076375 /nfs/dbraw/zinc/07/63/75/1419076375.db2.gz FONYPHUSRNIWON-UHFFFAOYSA-N 2 1 329.488 2.523 10 30 EFEEMP C=CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001716896526 1419084036 /nfs/dbraw/zinc/08/40/36/1419084036.db2.gz UMMVNSVIIJARPU-ICSRJNTNSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001716896526 1419084040 /nfs/dbraw/zinc/08/40/40/1419084040.db2.gz UMMVNSVIIJARPU-ICSRJNTNSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001716896526 1419084043 /nfs/dbraw/zinc/08/40/43/1419084043.db2.gz UMMVNSVIIJARPU-ICSRJNTNSA-N 2 1 333.520 2.798 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001716900432 1419085652 /nfs/dbraw/zinc/08/56/52/1419085652.db2.gz OXZYBTCCXAPHIS-HXUWFJFHSA-N 2 1 335.536 2.901 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NC[C@]2(C)CCC[N@H+](C[C@@H](C)CC)C2)CC1 ZINC001716903145 1419088542 /nfs/dbraw/zinc/08/85/42/1419088542.db2.gz XXWRYAZLFPCFKD-RXVVDRJESA-N 2 1 347.547 2.596 10 30 EFEEMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001717000267 1419135510 /nfs/dbraw/zinc/13/55/10/1419135510.db2.gz JZXQPGJAILMTAW-RNQOJCNYSA-N 2 1 341.499 2.835 10 30 EFEEMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001717000267 1419135516 /nfs/dbraw/zinc/13/55/16/1419135516.db2.gz JZXQPGJAILMTAW-RNQOJCNYSA-N 2 1 341.499 2.835 10 30 EFEEMP C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001717106274 1419211822 /nfs/dbraw/zinc/21/18/22/1419211822.db2.gz MFRWGQXHJMDWRT-AZUAARDMSA-N 2 1 341.499 2.531 10 30 EFEEMP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC001717115186 1419219245 /nfs/dbraw/zinc/21/92/45/1419219245.db2.gz KHLZVWPNHHUJSX-BXWFABGCSA-N 2 1 329.488 2.870 10 30 EFEEMP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)Cn2c[nH+]cc2C)cc1 ZINC001717115374 1419219413 /nfs/dbraw/zinc/21/94/13/1419219413.db2.gz MOCSOBKAPMXFPJ-MRXNPFEDSA-N 2 1 326.444 2.735 10 30 EFEEMP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)cc1 ZINC001717115868 1419220217 /nfs/dbraw/zinc/22/02/17/1419220217.db2.gz PIVJJIZTQMWBRA-YLJYHZDGSA-N 2 1 341.499 2.709 10 30 EFEEMP C=CCC[C@@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001717122338 1419224104 /nfs/dbraw/zinc/22/41/04/1419224104.db2.gz AGILBNXEXWZCJX-RDGPPVDQSA-N 2 1 335.536 2.948 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001717216480 1419270209 /nfs/dbraw/zinc/27/02/09/1419270209.db2.gz JIRMXMSYIUMMSU-MOPGFXCFSA-N 2 1 335.536 2.855 10 30 EFEEMP CC#CC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001717217730 1419271194 /nfs/dbraw/zinc/27/11/94/1419271194.db2.gz UQXXBYLPKNMEQB-PMACEKPBSA-N 2 1 347.547 2.692 10 30 EFEEMP CC#CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001717217730 1419271196 /nfs/dbraw/zinc/27/11/96/1419271196.db2.gz UQXXBYLPKNMEQB-PMACEKPBSA-N 2 1 347.547 2.692 10 30 EFEEMP CC#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001717217730 1419271198 /nfs/dbraw/zinc/27/11/98/1419271198.db2.gz UQXXBYLPKNMEQB-PMACEKPBSA-N 2 1 347.547 2.692 10 30 EFEEMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001717247915 1419290986 /nfs/dbraw/zinc/29/09/86/1419290986.db2.gz RBRQSNVJQMBIIH-QUCCMNQESA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC001717309182 1419320798 /nfs/dbraw/zinc/32/07/98/1419320798.db2.gz GZPFIDOZJFGHMK-ROUUACIJSA-N 2 1 333.520 2.511 10 30 EFEEMP C#CC[NH+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C(C)(C)C1 ZINC001717311560 1419323484 /nfs/dbraw/zinc/32/34/84/1419323484.db2.gz CUWGJLHUWHWRGJ-OALUTQOASA-N 2 1 341.499 2.529 10 30 EFEEMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C(C)(C)C1 ZINC001717311560 1419323487 /nfs/dbraw/zinc/32/34/87/1419323487.db2.gz CUWGJLHUWHWRGJ-OALUTQOASA-N 2 1 341.499 2.529 10 30 EFEEMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C(C)(C)C1 ZINC001717311560 1419323489 /nfs/dbraw/zinc/32/34/89/1419323489.db2.gz CUWGJLHUWHWRGJ-OALUTQOASA-N 2 1 341.499 2.529 10 30 EFEEMP C=C(C)CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001717371744 1419364359 /nfs/dbraw/zinc/36/43/59/1419364359.db2.gz VQINVLNLZCQLNE-RBUKOAKNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001717371744 1419364360 /nfs/dbraw/zinc/36/43/60/1419364360.db2.gz VQINVLNLZCQLNE-RBUKOAKNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001717371744 1419364361 /nfs/dbraw/zinc/36/43/61/1419364361.db2.gz VQINVLNLZCQLNE-RBUKOAKNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001717373426 1419365506 /nfs/dbraw/zinc/36/55/06/1419365506.db2.gz MIRGDRBXDDMBPR-IBGZPJMESA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001717537524 1419434301 /nfs/dbraw/zinc/43/43/01/1419434301.db2.gz GLOXTIYQTFTJML-SJORKVTESA-N 2 1 327.488 2.603 10 30 EFEEMP C=CCCC[N@H+]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC001717588112 1419458976 /nfs/dbraw/zinc/45/89/76/1419458976.db2.gz TXEIPNIDOCSZSM-IBGZPJMESA-N 2 1 347.547 2.901 10 30 EFEEMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001717588449 1419459907 /nfs/dbraw/zinc/45/99/07/1419459907.db2.gz AMNKDNKBKLPJDR-QZTJIDSGSA-N 2 1 329.488 2.692 10 30 EFEEMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001717588449 1419459909 /nfs/dbraw/zinc/45/99/09/1419459909.db2.gz AMNKDNKBKLPJDR-QZTJIDSGSA-N 2 1 329.488 2.692 10 30 EFEEMP C=CCCC[NH+]1CCCC2(CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001717628606 1419476940 /nfs/dbraw/zinc/47/69/40/1419476940.db2.gz BQKYONXHLHQNAI-GOSISDBHSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@H+]1CCCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001717628606 1419476941 /nfs/dbraw/zinc/47/69/41/1419476941.db2.gz BQKYONXHLHQNAI-GOSISDBHSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@@H+]1CCCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001717628606 1419476944 /nfs/dbraw/zinc/47/69/44/1419476944.db2.gz BQKYONXHLHQNAI-GOSISDBHSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001717640902 1419483934 /nfs/dbraw/zinc/48/39/34/1419483934.db2.gz OILWUWXZUPGCFT-KZNAEPCWSA-N 2 1 333.520 2.702 10 30 EFEEMP C=CCCCCC[NH+](C)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001717703382 1419516663 /nfs/dbraw/zinc/51/66/63/1419516663.db2.gz HJTXVPHLEZHFAL-GOSISDBHSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCCCC[N@@H+](C)C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001717703382 1419516667 /nfs/dbraw/zinc/51/66/67/1419516667.db2.gz HJTXVPHLEZHFAL-GOSISDBHSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCCCC[N@H+](C)C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001717703382 1419516671 /nfs/dbraw/zinc/51/66/71/1419516671.db2.gz HJTXVPHLEZHFAL-GOSISDBHSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@H]12 ZINC001717840629 1419570198 /nfs/dbraw/zinc/57/01/98/1419570198.db2.gz LYCGNIJHYLYFLK-JPLJXNOCSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@H]12 ZINC001717840629 1419570200 /nfs/dbraw/zinc/57/02/00/1419570200.db2.gz LYCGNIJHYLYFLK-JPLJXNOCSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@H]12 ZINC001717840629 1419570203 /nfs/dbraw/zinc/57/02/03/1419570203.db2.gz LYCGNIJHYLYFLK-JPLJXNOCSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CC[N@H+](C)CCN(C(=O)[C@H]1CC[NH+](C2CCCCC2)C1)C(C)C ZINC001717948089 1419624253 /nfs/dbraw/zinc/62/42/53/1419624253.db2.gz FHOZWCQKJNWYEZ-SFHVURJKSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CC[NH+](C)CCN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001717948089 1419624254 /nfs/dbraw/zinc/62/42/54/1419624254.db2.gz FHOZWCQKJNWYEZ-SFHVURJKSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CC[NH+](C)CCN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC001717948089 1419624256 /nfs/dbraw/zinc/62/42/56/1419624256.db2.gz FHOZWCQKJNWYEZ-SFHVURJKSA-N 2 1 335.536 2.996 10 30 EFEEMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001717984817 1419642772 /nfs/dbraw/zinc/64/27/72/1419642772.db2.gz NZJPKHWHDPRGTO-FXAWDEMLSA-N 2 1 341.499 2.529 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001718022752 1419662042 /nfs/dbraw/zinc/66/20/42/1419662042.db2.gz HGXRELGOLIEMBF-KRWDZBQOSA-N 2 1 331.504 2.718 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001723450972 1424500158 /nfs/dbraw/zinc/50/01/58/1424500158.db2.gz MDEDEPCOUYFNJM-RTBURBONSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001723450972 1424500163 /nfs/dbraw/zinc/50/01/63/1424500163.db2.gz MDEDEPCOUYFNJM-RTBURBONSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001723450972 1424500165 /nfs/dbraw/zinc/50/01/65/1424500165.db2.gz MDEDEPCOUYFNJM-RTBURBONSA-N 2 1 333.520 2.940 10 30 EFEEMP CCCCCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001723456641 1424503187 /nfs/dbraw/zinc/50/31/87/1424503187.db2.gz COXCJXSMAHEDOL-ZWKOTPCHSA-N 2 1 346.519 2.915 10 30 EFEEMP CCCCCCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001723456641 1424503193 /nfs/dbraw/zinc/50/31/93/1424503193.db2.gz COXCJXSMAHEDOL-ZWKOTPCHSA-N 2 1 346.519 2.915 10 30 EFEEMP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001723551295 1424521428 /nfs/dbraw/zinc/52/14/28/1424521428.db2.gz BYMLPUXRDIGRKJ-SFHVURJKSA-N 2 1 333.520 2.988 10 30 EFEEMP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cn1c[nH+]cc1C ZINC001723614279 1424536334 /nfs/dbraw/zinc/53/63/34/1424536334.db2.gz FPKVGIRPKZQWED-AYHJJNSGSA-N 2 1 330.476 2.659 10 30 EFEEMP C=CCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001723631686 1424540127 /nfs/dbraw/zinc/54/01/27/1424540127.db2.gz BUDRCMIXOHRBMQ-OTWHNJEPSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001723631686 1424540131 /nfs/dbraw/zinc/54/01/31/1424540131.db2.gz BUDRCMIXOHRBMQ-OTWHNJEPSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001723631686 1424540136 /nfs/dbraw/zinc/54/01/36/1424540136.db2.gz BUDRCMIXOHRBMQ-OTWHNJEPSA-N 2 1 333.520 2.892 10 30 EFEEMP C#CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1C(C)C)C1CCCCCC1 ZINC001723639093 1424542132 /nfs/dbraw/zinc/54/21/32/1424542132.db2.gz AZRUDQRJNMDHKS-UHFFFAOYSA-N 2 1 344.503 2.781 10 30 EFEEMP C#CC[N@H+](CCNC(=O)Cn1cc[nH+]c1C(C)C)C1CCCCCC1 ZINC001723639093 1424542133 /nfs/dbraw/zinc/54/21/33/1424542133.db2.gz AZRUDQRJNMDHKS-UHFFFAOYSA-N 2 1 344.503 2.781 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCCCC)C2 ZINC001723680838 1424556194 /nfs/dbraw/zinc/55/61/94/1424556194.db2.gz RGFFQUKXOSXCSC-PZJWPPBQSA-N 2 1 345.531 2.589 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CCCCC)C2 ZINC001723680838 1424556197 /nfs/dbraw/zinc/55/61/97/1424556197.db2.gz RGFFQUKXOSXCSC-PZJWPPBQSA-N 2 1 345.531 2.589 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CCCCC)C2 ZINC001723680838 1424556199 /nfs/dbraw/zinc/55/61/99/1424556199.db2.gz RGFFQUKXOSXCSC-PZJWPPBQSA-N 2 1 345.531 2.589 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CCCCC)C2 ZINC001723680838 1424556203 /nfs/dbraw/zinc/55/62/03/1424556203.db2.gz RGFFQUKXOSXCSC-PZJWPPBQSA-N 2 1 345.531 2.589 10 30 EFEEMP C=CCCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001723719693 1424568017 /nfs/dbraw/zinc/56/80/17/1424568017.db2.gz SUBZXISPICFBFF-ICSRJNTNSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001723719693 1424568023 /nfs/dbraw/zinc/56/80/23/1424568023.db2.gz SUBZXISPICFBFF-ICSRJNTNSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001723719693 1424568025 /nfs/dbraw/zinc/56/80/25/1424568025.db2.gz SUBZXISPICFBFF-ICSRJNTNSA-N 2 1 333.520 2.750 10 30 EFEEMP C#CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCCC=C)CC1 ZINC001724047202 1424634876 /nfs/dbraw/zinc/63/48/76/1424634876.db2.gz LFJPNYIKHRNUNT-LJQANCHMSA-N 2 1 345.531 2.753 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001724126393 1424668197 /nfs/dbraw/zinc/66/81/97/1424668197.db2.gz SGSPQEDITNWABU-OAQYLSRUSA-N 2 1 347.547 2.999 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CCCC(C)(C)C)C2)CC1 ZINC001724189385 1424694486 /nfs/dbraw/zinc/69/44/86/1424694486.db2.gz KGLJYZNEORTCEO-NRFANRHFSA-N 2 1 347.547 2.739 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001724239901 1424711073 /nfs/dbraw/zinc/71/10/73/1424711073.db2.gz OLTNAPKOAYDWSL-FXAWDEMLSA-N 2 1 344.503 2.548 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001724322389 1424733140 /nfs/dbraw/zinc/73/31/40/1424733140.db2.gz CJKGPNNLDYTQQC-LJQANCHMSA-N 2 1 347.528 2.665 10 30 EFEEMP C#CCC[NH+]1CCC[C@@](C)(CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001724328497 1424735103 /nfs/dbraw/zinc/73/51/03/1424735103.db2.gz ICVFBXKIEBOZFB-NRFANRHFSA-N 2 1 347.547 2.883 10 30 EFEEMP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001724328497 1424735109 /nfs/dbraw/zinc/73/51/09/1424735109.db2.gz ICVFBXKIEBOZFB-NRFANRHFSA-N 2 1 347.547 2.883 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001724328497 1424735113 /nfs/dbraw/zinc/73/51/13/1424735113.db2.gz ICVFBXKIEBOZFB-NRFANRHFSA-N 2 1 347.547 2.883 10 30 EFEEMP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001724325624 1424736101 /nfs/dbraw/zinc/73/61/01/1424736101.db2.gz ZTXMSBNUPAAQKD-TZIWHRDSSA-N 2 1 345.531 2.635 10 30 EFEEMP CC#CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001724325624 1424736106 /nfs/dbraw/zinc/73/61/06/1424736106.db2.gz ZTXMSBNUPAAQKD-TZIWHRDSSA-N 2 1 345.531 2.635 10 30 EFEEMP CC#CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001724325624 1424736115 /nfs/dbraw/zinc/73/61/15/1424736115.db2.gz ZTXMSBNUPAAQKD-TZIWHRDSSA-N 2 1 345.531 2.635 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001724329227 1424737129 /nfs/dbraw/zinc/73/71/29/1424737129.db2.gz DTRHDPZFKBNYSN-FXAWDEMLSA-N 2 1 344.503 2.548 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001724329227 1424737133 /nfs/dbraw/zinc/73/71/33/1424737133.db2.gz DTRHDPZFKBNYSN-FXAWDEMLSA-N 2 1 344.503 2.548 10 30 EFEEMP C=CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001724332265 1424738378 /nfs/dbraw/zinc/73/83/78/1424738378.db2.gz ZWLZIIIHPFMKFI-ICSRJNTNSA-N 2 1 335.536 2.903 10 30 EFEEMP C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001724332265 1424738379 /nfs/dbraw/zinc/73/83/79/1424738379.db2.gz ZWLZIIIHPFMKFI-ICSRJNTNSA-N 2 1 335.536 2.903 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001724332265 1424738382 /nfs/dbraw/zinc/73/83/82/1424738382.db2.gz ZWLZIIIHPFMKFI-ICSRJNTNSA-N 2 1 335.536 2.903 10 30 EFEEMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001724343644 1424742769 /nfs/dbraw/zinc/74/27/69/1424742769.db2.gz OCHMTSODNQXONU-NRFANRHFSA-N 2 1 341.499 2.603 10 30 EFEEMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1CC ZINC001724511103 1424776351 /nfs/dbraw/zinc/77/63/51/1424776351.db2.gz FWDXKBXQXQMZJP-HKUYNNGSSA-N 2 1 329.488 2.524 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001724597985 1424814653 /nfs/dbraw/zinc/81/46/53/1424814653.db2.gz FNAVXFMJCTWRJU-ZSXDVEMLSA-N 2 1 333.520 2.652 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001724597985 1424814667 /nfs/dbraw/zinc/81/46/67/1424814667.db2.gz FNAVXFMJCTWRJU-ZSXDVEMLSA-N 2 1 333.520 2.652 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001724597985 1424814676 /nfs/dbraw/zinc/81/46/76/1424814676.db2.gz FNAVXFMJCTWRJU-ZSXDVEMLSA-N 2 1 333.520 2.652 10 30 EFEEMP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001724610688 1424830055 /nfs/dbraw/zinc/83/00/55/1424830055.db2.gz KGNZGOLKPSACNA-VAMGGRTRSA-N 2 1 347.547 2.642 10 30 EFEEMP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001724613402 1424833677 /nfs/dbraw/zinc/83/36/77/1424833677.db2.gz VKZPYHIHVODDPT-MKXGPGLRSA-N 2 1 333.520 2.702 10 30 EFEEMP C=CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001724617683 1424842058 /nfs/dbraw/zinc/84/20/58/1424842058.db2.gz PIAIJGIMPWGCRR-ICSRJNTNSA-N 2 1 343.515 2.911 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001724656056 1424892197 /nfs/dbraw/zinc/89/21/97/1424892197.db2.gz QPUWPKAWOBBNKX-OALUTQOASA-N 2 1 345.531 2.894 10 30 EFEEMP C#CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001724659500 1424900665 /nfs/dbraw/zinc/90/06/65/1424900665.db2.gz VNSORSZHMJGIGK-UXHICEINSA-N 2 1 345.531 2.730 10 30 EFEEMP C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001724659500 1424900669 /nfs/dbraw/zinc/90/06/69/1424900669.db2.gz VNSORSZHMJGIGK-UXHICEINSA-N 2 1 345.531 2.730 10 30 EFEEMP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001724659500 1424900678 /nfs/dbraw/zinc/90/06/78/1424900678.db2.gz VNSORSZHMJGIGK-UXHICEINSA-N 2 1 345.531 2.730 10 30 EFEEMP C#CCC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001724742798 1424970414 /nfs/dbraw/zinc/97/04/14/1424970414.db2.gz TUIQFVSOLJLGDX-FQEVSTJZSA-N 2 1 341.499 2.632 10 30 EFEEMP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001724749568 1424978708 /nfs/dbraw/zinc/97/87/08/1424978708.db2.gz NONWXFFOKOQEEG-PXNSSMCTSA-N 2 1 341.499 2.850 10 30 EFEEMP C=CCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001724756203 1424986236 /nfs/dbraw/zinc/98/62/36/1424986236.db2.gz AEEKFJBHFWLAJH-SFHVURJKSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@H+](C)CCCN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001724854726 1425071860 /nfs/dbraw/zinc/07/18/60/1425071860.db2.gz CYACLKCHFBESLJ-IBGZPJMESA-N 2 1 341.515 2.945 10 30 EFEEMP C=CCCC[NH+](C)CCCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001724854726 1425071865 /nfs/dbraw/zinc/07/18/65/1425071865.db2.gz CYACLKCHFBESLJ-IBGZPJMESA-N 2 1 341.515 2.945 10 30 EFEEMP C=CCCC[NH+](C)CCCN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001724854726 1425071870 /nfs/dbraw/zinc/07/18/70/1425071870.db2.gz CYACLKCHFBESLJ-IBGZPJMESA-N 2 1 341.515 2.945 10 30 EFEEMP C=C(C)CN1Cc2ccccc2C[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001724892098 1425105951 /nfs/dbraw/zinc/10/59/51/1425105951.db2.gz CNBAHVIILYUCGN-FQEVSTJZSA-N 2 1 341.499 2.590 10 30 EFEEMP C=C(C)C[NH+]1Cc2ccccc2C[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001724892098 1425105956 /nfs/dbraw/zinc/10/59/56/1425105956.db2.gz CNBAHVIILYUCGN-FQEVSTJZSA-N 2 1 341.499 2.590 10 30 EFEEMP C=C(C)C[NH+]1Cc2ccccc2C[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001724892098 1425105967 /nfs/dbraw/zinc/10/59/67/1425105967.db2.gz CNBAHVIILYUCGN-FQEVSTJZSA-N 2 1 341.499 2.590 10 30 EFEEMP C=C(C)C[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001724892098 1425105982 /nfs/dbraw/zinc/10/59/82/1425105982.db2.gz CNBAHVIILYUCGN-FQEVSTJZSA-N 2 1 341.499 2.590 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001724898098 1425116770 /nfs/dbraw/zinc/11/67/70/1425116770.db2.gz LSTMRLNXFBZFFR-QUCCMNQESA-N 2 1 335.536 2.997 10 30 EFEEMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001724902451 1425122709 /nfs/dbraw/zinc/12/27/09/1425122709.db2.gz WDQFCCOZMYEHEC-HXUWFJFHSA-N 2 1 333.520 2.753 10 30 EFEEMP C=CC[NH+]1Cc2ccc(CNC(=O)CC[C@@H]3CCC[N@H+]3C)cc2C1 ZINC001724924328 1425137887 /nfs/dbraw/zinc/13/78/87/1425137887.db2.gz WRPMXMFGADEAFV-IBGZPJMESA-N 2 1 327.472 2.679 10 30 EFEEMP C=CC[NH+]1Cc2ccc(CNC(=O)CC[C@@H]3CCC[N@@H+]3C)cc2C1 ZINC001724924328 1425137897 /nfs/dbraw/zinc/13/78/97/1425137897.db2.gz WRPMXMFGADEAFV-IBGZPJMESA-N 2 1 327.472 2.679 10 30 EFEEMP C=CC[N@H+]1Cc2ccc(CNC(=O)CC[C@@H]3CCC[NH+]3C)cc2C1 ZINC001724924328 1425137902 /nfs/dbraw/zinc/13/79/02/1425137902.db2.gz WRPMXMFGADEAFV-IBGZPJMESA-N 2 1 327.472 2.679 10 30 EFEEMP C=CC[N@@H+]1Cc2ccc(CNC(=O)CC[C@@H]3CCC[NH+]3C)cc2C1 ZINC001724924328 1425137911 /nfs/dbraw/zinc/13/79/11/1425137911.db2.gz WRPMXMFGADEAFV-IBGZPJMESA-N 2 1 327.472 2.679 10 30 EFEEMP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001725043930 1425257629 /nfs/dbraw/zinc/25/76/29/1425257629.db2.gz WMLVHMZRDQLMIA-GOSISDBHSA-N 2 1 333.520 2.751 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001725055707 1425266121 /nfs/dbraw/zinc/26/61/21/1425266121.db2.gz BZXYXMIWBIBZNY-RBUKOAKNSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001725056010 1425266768 /nfs/dbraw/zinc/26/67/68/1425266768.db2.gz PWDWXDPNCZCPDS-IBGZPJMESA-N 2 1 335.536 2.855 10 30 EFEEMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001725241649 1425408178 /nfs/dbraw/zinc/40/81/78/1425408178.db2.gz MSCLWMVFBJKXAC-OALUTQOASA-N 2 1 333.520 2.635 10 30 EFEEMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001725271036 1425427604 /nfs/dbraw/zinc/42/76/04/1425427604.db2.gz XYVJAOVHPIRTSC-APWZRJJASA-N 2 1 329.488 2.692 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001725339426 1425487304 /nfs/dbraw/zinc/48/73/04/1425487304.db2.gz WCPYFGVGJAEJBX-RCCFBDPRSA-N 2 1 333.520 2.606 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001725339426 1425487307 /nfs/dbraw/zinc/48/73/07/1425487307.db2.gz WCPYFGVGJAEJBX-RCCFBDPRSA-N 2 1 333.520 2.606 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001725339426 1425487310 /nfs/dbraw/zinc/48/73/10/1425487310.db2.gz WCPYFGVGJAEJBX-RCCFBDPRSA-N 2 1 333.520 2.606 10 30 EFEEMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@@]2(C)C1 ZINC001725346997 1425496168 /nfs/dbraw/zinc/49/61/68/1425496168.db2.gz LNDCFCHQZTXXDR-RLLQIKCJSA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001725401894 1425544767 /nfs/dbraw/zinc/54/47/67/1425544767.db2.gz OHKIQLPTILQKJO-NVXWUHKLSA-N 2 1 332.492 2.595 10 30 EFEEMP C=CCC[N@H+](C)C1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001725424294 1425569646 /nfs/dbraw/zinc/56/96/46/1425569646.db2.gz KKMHIRZPHPXILA-IBGZPJMESA-N 2 1 339.499 2.698 10 30 EFEEMP C=CCC[NH+](C)C1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001725424294 1425569651 /nfs/dbraw/zinc/56/96/51/1425569651.db2.gz KKMHIRZPHPXILA-IBGZPJMESA-N 2 1 339.499 2.698 10 30 EFEEMP C=CCC[NH+](C)C1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001725424294 1425569655 /nfs/dbraw/zinc/56/96/55/1425569655.db2.gz KKMHIRZPHPXILA-IBGZPJMESA-N 2 1 339.499 2.698 10 30 EFEEMP C=C(C)C[NH2+][C@H](CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001725445574 1425587006 /nfs/dbraw/zinc/58/70/06/1425587006.db2.gz UJSKUXAJTFHPGQ-APWZRJJASA-N 2 1 341.515 2.896 10 30 EFEEMP C=CC[NH+]1CCC([C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001725763360 1425830459 /nfs/dbraw/zinc/83/04/59/1425830459.db2.gz SOYJTAUHYJFYIN-JKSUJKDBSA-N 2 1 332.492 2.799 10 30 EFEEMP C#CCC[NH+]1CCC([C@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001725765813 1425832336 /nfs/dbraw/zinc/83/23/36/1425832336.db2.gz FOKWPGUPXHHYSE-SJORKVTESA-N 2 1 344.503 2.637 10 30 EFEEMP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001725770167 1425836495 /nfs/dbraw/zinc/83/64/95/1425836495.db2.gz BWCNWBBYILNJCF-SFHVURJKSA-N 2 1 343.515 2.911 10 30 EFEEMP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001725770167 1425836496 /nfs/dbraw/zinc/83/64/96/1425836496.db2.gz BWCNWBBYILNJCF-SFHVURJKSA-N 2 1 343.515 2.911 10 30 EFEEMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]1C(F)(F)F ZINC001725779823 1425845461 /nfs/dbraw/zinc/84/54/61/1425845461.db2.gz GNIITXREFNZRCK-ZIAGYGMSSA-N 2 1 349.441 2.519 10 30 EFEEMP C=CC[NH+]1CCC(C2(NC(=O)CCCn3cc[nH+]c3C)CC2)CC1 ZINC001725795562 1425857620 /nfs/dbraw/zinc/85/76/20/1425857620.db2.gz YGJPBFSTJWQSCH-UHFFFAOYSA-N 2 1 330.476 2.519 10 30 EFEEMP Cc1cccc(NC(=[NH2+])NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000104156815 715254302 /nfs/dbraw/zinc/25/43/02/715254302.db2.gz NFEUJXFUUUFBBK-UHFFFAOYSA-N 2 1 338.455 2.754 10 30 EFEEMP C=C(C)C[NH+]1CCC(NCc2[nH]cc(C(=O)OC)c2C2CC2)CC1 ZINC000892880723 719254690 /nfs/dbraw/zinc/25/46/90/719254690.db2.gz GZIZATWRLDSTOT-UHFFFAOYSA-N 2 1 331.460 2.809 10 30 EFEEMP C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2N(C)C)CCN1c1cc[nH+]cc1 ZINC000895558784 724195074 /nfs/dbraw/zinc/19/50/74/724195074.db2.gz WHBIZGAUYOHAJL-MRXNPFEDSA-N 2 1 335.455 2.730 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000907530157 726959299 /nfs/dbraw/zinc/95/92/99/726959299.db2.gz HARFNIGOFGFVRC-FQEVSTJZSA-N 2 1 329.488 2.665 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000908041205 727084883 /nfs/dbraw/zinc/08/48/83/727084883.db2.gz GYWTVSAIQCWKBC-LJQANCHMSA-N 2 1 343.515 2.911 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000913098131 727781084 /nfs/dbraw/zinc/78/10/84/727781084.db2.gz YTCUYVZETUKQPF-QFBILLFUSA-N 2 1 329.488 2.521 10 30 EFEEMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)CC1(C)C ZINC000940807943 728254932 /nfs/dbraw/zinc/25/49/32/728254932.db2.gz XAVSGGZOQBZGTA-ROUUACIJSA-N 2 1 347.547 2.737 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)CC1(C)C ZINC000940807943 728254934 /nfs/dbraw/zinc/25/49/34/728254934.db2.gz XAVSGGZOQBZGTA-ROUUACIJSA-N 2 1 347.547 2.737 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)CC1(C)C ZINC000940807943 728254936 /nfs/dbraw/zinc/25/49/36/728254936.db2.gz XAVSGGZOQBZGTA-ROUUACIJSA-N 2 1 347.547 2.737 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC(C)(C)C)CC1(C)C ZINC000940807943 728254939 /nfs/dbraw/zinc/25/49/39/728254939.db2.gz XAVSGGZOQBZGTA-ROUUACIJSA-N 2 1 347.547 2.737 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC(C)(C)C)CC1(C)C ZINC000940807943 728254941 /nfs/dbraw/zinc/25/49/41/728254941.db2.gz XAVSGGZOQBZGTA-ROUUACIJSA-N 2 1 347.547 2.737 10 30 EFEEMP C=CCC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000940831271 728273262 /nfs/dbraw/zinc/27/32/62/728273262.db2.gz IWGGSTYLFITACW-QGZVFWFLSA-N 2 1 333.520 2.655 10 30 EFEEMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000940858352 728296710 /nfs/dbraw/zinc/29/67/10/728296710.db2.gz LZVUZKVAMUPESH-QZTJIDSGSA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940858352 728296712 /nfs/dbraw/zinc/29/67/12/728296712.db2.gz LZVUZKVAMUPESH-QZTJIDSGSA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940858352 728296714 /nfs/dbraw/zinc/29/67/14/728296714.db2.gz LZVUZKVAMUPESH-QZTJIDSGSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000940988590 728360890 /nfs/dbraw/zinc/36/08/90/728360890.db2.gz UOXGTTSNLCTTIF-AEFFLSMTSA-N 2 1 344.503 2.547 10 30 EFEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000940988590 728360893 /nfs/dbraw/zinc/36/08/93/728360893.db2.gz UOXGTTSNLCTTIF-AEFFLSMTSA-N 2 1 344.503 2.547 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001569357795 1085137193 /nfs/dbraw/zinc/13/71/93/1085137193.db2.gz QHTQNIAZZAPTEA-PKOBYXMFSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001569357795 1085137200 /nfs/dbraw/zinc/13/72/00/1085137200.db2.gz QHTQNIAZZAPTEA-PKOBYXMFSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001569357795 1085137203 /nfs/dbraw/zinc/13/72/03/1085137203.db2.gz QHTQNIAZZAPTEA-PKOBYXMFSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001569357794 1085137762 /nfs/dbraw/zinc/13/77/62/1085137762.db2.gz QHTQNIAZZAPTEA-MJGOQNOKSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001569357794 1085137766 /nfs/dbraw/zinc/13/77/66/1085137766.db2.gz QHTQNIAZZAPTEA-MJGOQNOKSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001569357794 1085137773 /nfs/dbraw/zinc/13/77/73/1085137773.db2.gz QHTQNIAZZAPTEA-MJGOQNOKSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001569437122 1085214931 /nfs/dbraw/zinc/21/49/31/1085214931.db2.gz PRDGZKALEFWOPF-QUCCMNQESA-N 2 1 347.547 2.997 10 30 EFEEMP CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001569440554 1085220586 /nfs/dbraw/zinc/22/05/86/1085220586.db2.gz PDJZRLOSGIECIN-RAFMOHDBSA-N 2 1 345.531 2.632 10 30 EFEEMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001569466574 1085260975 /nfs/dbraw/zinc/26/09/75/1085260975.db2.gz CLQWXMFOYIZQRJ-FQEVSTJZSA-N 2 1 333.520 2.753 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCC2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001569471273 1085268812 /nfs/dbraw/zinc/26/88/12/1085268812.db2.gz ZMMLKKGAFMSXEH-RTBURBONSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCCCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001569474907 1085275527 /nfs/dbraw/zinc/27/55/27/1085275527.db2.gz OWAGOQYRQMQSDL-SBHAEUEKSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001569474907 1085275539 /nfs/dbraw/zinc/27/55/39/1085275539.db2.gz OWAGOQYRQMQSDL-SBHAEUEKSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001569474907 1085275549 /nfs/dbraw/zinc/27/55/49/1085275549.db2.gz OWAGOQYRQMQSDL-SBHAEUEKSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001569567597 1085384920 /nfs/dbraw/zinc/38/49/20/1085384920.db2.gz ZKMLJSDGGCTEPP-OALUTQOASA-N 2 1 329.488 2.836 10 30 EFEEMP C#CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001569593136 1085414786 /nfs/dbraw/zinc/41/47/86/1085414786.db2.gz NUYPXTGHESTAHH-SFHVURJKSA-N 2 1 347.547 2.691 10 30 EFEEMP C#CCN(C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)C1CC[NH+](CC(C)C)CC1 ZINC001569593897 1085416831 /nfs/dbraw/zinc/41/68/31/1085416831.db2.gz OYCOUXNKDOQXBP-AZUAARDMSA-N 2 1 345.531 2.586 10 30 EFEEMP C=CCCC[NH+]1CC[C@@](C)(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001569648584 1085482747 /nfs/dbraw/zinc/48/27/47/1085482747.db2.gz WXJUMUDXASMEJZ-RTBURBONSA-N 2 1 339.499 2.746 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@](C)(NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001569648584 1085482754 /nfs/dbraw/zinc/48/27/54/1085482754.db2.gz WXJUMUDXASMEJZ-RTBURBONSA-N 2 1 339.499 2.746 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001569648584 1085482759 /nfs/dbraw/zinc/48/27/59/1085482759.db2.gz WXJUMUDXASMEJZ-RTBURBONSA-N 2 1 339.499 2.746 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCC(C)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001569706394 1085536574 /nfs/dbraw/zinc/53/65/74/1085536574.db2.gz JQKOLCDNSHRKRJ-MSOLQXFVSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001569801030 1085616762 /nfs/dbraw/zinc/61/67/62/1085616762.db2.gz YPJMWXZJFMYQSZ-PMACEKPBSA-N 2 1 347.547 2.855 10 30 EFEEMP C=CCCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001569801032 1085617486 /nfs/dbraw/zinc/61/74/86/1085617486.db2.gz YPJMWXZJFMYQSZ-VQTJNVASSA-N 2 1 347.547 2.855 10 30 EFEEMP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)CC1 ZINC001569800992 1085617610 /nfs/dbraw/zinc/61/76/10/1085617610.db2.gz XVMMXVZHJXJOAV-IBGZPJMESA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001569859660 1085685385 /nfs/dbraw/zinc/68/53/85/1085685385.db2.gz DEEZLMWNSLDRAJ-BCDXTJNWSA-N 2 1 333.520 2.796 10 30 EFEEMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCCC[NH+]1CCCC1)C2 ZINC001569861243 1085687219 /nfs/dbraw/zinc/68/72/19/1085687219.db2.gz UKMBXTZQEPXWSO-ACDBMABISA-N 2 1 345.531 2.635 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCCC(C)C ZINC001569910811 1085751514 /nfs/dbraw/zinc/75/15/14/1085751514.db2.gz WPPJKSGTPDMSLB-UFYCRDLUSA-N 2 1 345.531 2.586 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCC(C)C ZINC001569910811 1085751520 /nfs/dbraw/zinc/75/15/20/1085751520.db2.gz WPPJKSGTPDMSLB-UFYCRDLUSA-N 2 1 345.531 2.586 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCCC(C)C ZINC001569910811 1085751530 /nfs/dbraw/zinc/75/15/30/1085751530.db2.gz WPPJKSGTPDMSLB-UFYCRDLUSA-N 2 1 345.531 2.586 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCCC(C)C ZINC001569910811 1085751535 /nfs/dbraw/zinc/75/15/35/1085751535.db2.gz WPPJKSGTPDMSLB-UFYCRDLUSA-N 2 1 345.531 2.586 10 30 EFEEMP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001569989114 1085826968 /nfs/dbraw/zinc/82/69/68/1085826968.db2.gz YPZWJZKYGKRYJZ-IRXDYDNUSA-N 2 1 341.927 2.688 10 30 EFEEMP C=CC[N@H+](C)Cc1ccccc1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001570026760 1085875700 /nfs/dbraw/zinc/87/57/00/1085875700.db2.gz JDEQATLRUBZVJK-LJQANCHMSA-N 2 1 329.488 2.795 10 30 EFEEMP C=CC[NH+](C)Cc1ccccc1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001570026760 1085875709 /nfs/dbraw/zinc/87/57/09/1085875709.db2.gz JDEQATLRUBZVJK-LJQANCHMSA-N 2 1 329.488 2.795 10 30 EFEEMP C=CC[NH+](C)Cc1ccccc1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001570026760 1085875716 /nfs/dbraw/zinc/87/57/16/1085875716.db2.gz JDEQATLRUBZVJK-LJQANCHMSA-N 2 1 329.488 2.795 10 30 EFEEMP C=CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001570031847 1085883994 /nfs/dbraw/zinc/88/39/94/1085883994.db2.gz WMXIJQQRAWXUKY-FRQCXROJSA-N 2 1 329.488 2.870 10 30 EFEEMP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC001570033209 1085885061 /nfs/dbraw/zinc/88/50/61/1085885061.db2.gz OMXNQNDFPXKPCI-PXNSSMCTSA-N 2 1 341.499 2.851 10 30 EFEEMP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001570083824 1085938291 /nfs/dbraw/zinc/93/82/91/1085938291.db2.gz QZHHFJYHHZVAPH-IAGOWNOFSA-N 2 1 332.492 2.943 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)C1 ZINC001570220919 1086062025 /nfs/dbraw/zinc/06/20/25/1086062025.db2.gz YETZARFGXYBJTH-OALUTQOASA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001570220919 1086062035 /nfs/dbraw/zinc/06/20/35/1086062035.db2.gz YETZARFGXYBJTH-OALUTQOASA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001570220919 1086062055 /nfs/dbraw/zinc/06/20/55/1086062055.db2.gz YETZARFGXYBJTH-OALUTQOASA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)C[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001570271717 1086108708 /nfs/dbraw/zinc/10/87/08/1086108708.db2.gz MTVJVYJTXUNCNN-VQTJNVASSA-N 2 1 343.515 2.692 10 30 EFEEMP C=C(C)C[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001570271717 1086108712 /nfs/dbraw/zinc/10/87/12/1086108712.db2.gz MTVJVYJTXUNCNN-VQTJNVASSA-N 2 1 343.515 2.692 10 30 EFEEMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001570273941 1086113320 /nfs/dbraw/zinc/11/33/20/1086113320.db2.gz ZGCWWORAFJKYPQ-FQEVSTJZSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[N@H+](C)CC)C2 ZINC001570274592 1086116703 /nfs/dbraw/zinc/11/67/03/1086116703.db2.gz HBPUSJSPNYJEON-UYAOXDASSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)CC)C2 ZINC001570274592 1086116709 /nfs/dbraw/zinc/11/67/09/1086116709.db2.gz HBPUSJSPNYJEON-UYAOXDASSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)CC)C2 ZINC001570274592 1086116716 /nfs/dbraw/zinc/11/67/16/1086116716.db2.gz HBPUSJSPNYJEON-UYAOXDASSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3CCC(C)CC3)cc2C1 ZINC001570313647 1086141163 /nfs/dbraw/zinc/14/11/63/1086141163.db2.gz GVLJYCNQYVWCIF-UHFFFAOYSA-N 2 1 341.499 2.926 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001570446342 1086248145 /nfs/dbraw/zinc/24/81/45/1086248145.db2.gz WRMWRFFQKXKPKF-AEFFLSMTSA-N 2 1 332.492 2.907 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001570446342 1086248150 /nfs/dbraw/zinc/24/81/50/1086248150.db2.gz WRMWRFFQKXKPKF-AEFFLSMTSA-N 2 1 332.492 2.907 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCC1CCCCC1 ZINC001570460582 1086257607 /nfs/dbraw/zinc/25/76/07/1086257607.db2.gz QTFYUWZLGIIXLR-HKUYNNGSSA-N 2 1 333.520 2.539 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCC1CCCCC1 ZINC001570460582 1086257609 /nfs/dbraw/zinc/25/76/09/1086257609.db2.gz QTFYUWZLGIIXLR-HKUYNNGSSA-N 2 1 333.520 2.539 10 30 EFEEMP C#CCC[N@H+](CC)CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001570501138 1086287155 /nfs/dbraw/zinc/28/71/55/1086287155.db2.gz CPVQFJPBKUUEEM-WOJBJXKFSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CCC[NH+](CC)CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001570501138 1086287162 /nfs/dbraw/zinc/28/71/62/1086287162.db2.gz CPVQFJPBKUUEEM-WOJBJXKFSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CCC[NH+](CC)CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001570501138 1086287170 /nfs/dbraw/zinc/28/71/70/1086287170.db2.gz CPVQFJPBKUUEEM-WOJBJXKFSA-N 2 1 345.531 2.587 10 30 EFEEMP C=C(C)CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001570501319 1086287830 /nfs/dbraw/zinc/28/78/30/1086287830.db2.gz JYCDRDPRYQLVBJ-IBGZPJMESA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001570501319 1086287840 /nfs/dbraw/zinc/28/78/40/1086287840.db2.gz JYCDRDPRYQLVBJ-IBGZPJMESA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001570501319 1086287848 /nfs/dbraw/zinc/28/78/48/1086287848.db2.gz JYCDRDPRYQLVBJ-IBGZPJMESA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@@H+](CC)CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001570503127 1086290237 /nfs/dbraw/zinc/29/02/37/1086290237.db2.gz VUHMSMMBPDAIDH-UHFFFAOYSA-N 2 1 332.492 2.718 10 30 EFEEMP C=CCCC[N@H+](CC)CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001570503127 1086290244 /nfs/dbraw/zinc/29/02/44/1086290244.db2.gz VUHMSMMBPDAIDH-UHFFFAOYSA-N 2 1 332.492 2.718 10 30 EFEEMP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC[N@H+](C)CCC ZINC001570522197 1086308723 /nfs/dbraw/zinc/30/87/23/1086308723.db2.gz SISRCWRYIAVNDK-UYAOXDASSA-N 2 1 329.488 2.666 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@H+](C)CC/C=C\CC)CC1 ZINC001570549082 1086349598 /nfs/dbraw/zinc/34/95/98/1086349598.db2.gz UFMGAEQTQSIMCF-PXDRNWIDSA-N 2 1 345.531 2.611 10 30 EFEEMP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001570551781 1086359446 /nfs/dbraw/zinc/35/94/46/1086359446.db2.gz UJSLQZHHKCHIGH-RBUKOAKNSA-N 2 1 335.536 2.855 10 30 EFEEMP C#CCC[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+](CCC)C2)CCCCC1 ZINC001570800228 1086526682 /nfs/dbraw/zinc/52/66/82/1086526682.db2.gz XNSIRUCKUDVZLD-SFHVURJKSA-N 2 1 333.520 2.540 10 30 EFEEMP C=CCCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001571035581 1086650176 /nfs/dbraw/zinc/65/01/76/1086650176.db2.gz IXDFBTNBUDYXLX-SFHVURJKSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001571035581 1086650178 /nfs/dbraw/zinc/65/01/78/1086650178.db2.gz IXDFBTNBUDYXLX-SFHVURJKSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001571035581 1086650182 /nfs/dbraw/zinc/65/01/82/1086650182.db2.gz IXDFBTNBUDYXLX-SFHVURJKSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)CCC[NH+](C)C)C[C@@]2(C)C1 ZINC001571063694 1086657428 /nfs/dbraw/zinc/65/74/28/1086657428.db2.gz DJMGSTKJAFLIMF-YSIASYRMSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@]2(C)C1 ZINC001571067999 1086659101 /nfs/dbraw/zinc/65/91/01/1086659101.db2.gz CMNJCXZQFFAYMV-LFGUQSLTSA-N 2 1 335.536 2.852 10 30 EFEEMP C=CCC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H]1C ZINC001571526890 1086937856 /nfs/dbraw/zinc/93/78/56/1086937856.db2.gz OCYYKLNQDFDIPF-HKUYNNGSSA-N 2 1 329.488 2.664 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H]1C ZINC001571526890 1086937861 /nfs/dbraw/zinc/93/78/61/1086937861.db2.gz OCYYKLNQDFDIPF-HKUYNNGSSA-N 2 1 329.488 2.664 10 30 EFEEMP C=CCC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC001571526890 1086937863 /nfs/dbraw/zinc/93/78/63/1086937863.db2.gz OCYYKLNQDFDIPF-HKUYNNGSSA-N 2 1 329.488 2.664 10 30 EFEEMP C=CCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC001571526890 1086937868 /nfs/dbraw/zinc/93/78/68/1086937868.db2.gz OCYYKLNQDFDIPF-HKUYNNGSSA-N 2 1 329.488 2.664 10 30 EFEEMP C=CCCCCC[NH2+][C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1(C)C ZINC001571563948 1086964483 /nfs/dbraw/zinc/96/44/83/1086964483.db2.gz UBYZKXKNNJDPNR-MSOLQXFVSA-N 2 1 335.536 2.901 10 30 EFEEMP C#CCC[NH2+]C[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C(C)(C)C ZINC001571624049 1086994566 /nfs/dbraw/zinc/99/45/66/1086994566.db2.gz BICWNTYTHUIPFC-HZPDHXFCSA-N 2 1 332.492 2.540 10 30 EFEEMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)c(F)c1 ZINC001571702982 1087076555 /nfs/dbraw/zinc/07/65/55/1087076555.db2.gz PLFAWVIXJHRXGP-PKOBYXMFSA-N 2 1 345.462 2.734 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001267071898 1092543245 /nfs/dbraw/zinc/54/32/45/1092543245.db2.gz YRDVRKHAZBMFNA-IEBWSBKVSA-N 2 1 329.488 2.694 10 30 EFEEMP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001267094221 1092667174 /nfs/dbraw/zinc/66/71/74/1092667174.db2.gz SKYRYFGQIVEWGC-OALUTQOASA-N 2 1 329.488 2.712 10 30 EFEEMP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001267094221 1092667182 /nfs/dbraw/zinc/66/71/82/1092667182.db2.gz SKYRYFGQIVEWGC-OALUTQOASA-N 2 1 329.488 2.712 10 30 EFEEMP C=C(C)CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001267096164 1092683290 /nfs/dbraw/zinc/68/32/90/1092683290.db2.gz IONBFQCHWURIFM-HXUWFJFHSA-N 2 1 343.515 2.885 10 30 EFEEMP C=CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)cc1 ZINC001267098258 1092695080 /nfs/dbraw/zinc/69/50/80/1092695080.db2.gz JWKWHZXTMKQTIL-WOJBJXKFSA-N 2 1 341.499 2.638 10 30 EFEEMP C=CCCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001671246902 1092753218 /nfs/dbraw/zinc/75/32/18/1092753218.db2.gz YSNXTENAXRSMNN-SJORKVTESA-N 2 1 332.492 2.942 10 30 EFEEMP C=CCC[N@H+]1CCC[C@H]1CCCNC(=O)Cc1cn2c(n1)CCCC2 ZINC001267168146 1093031390 /nfs/dbraw/zinc/03/13/90/1093031390.db2.gz NEBRDXRVXNSDAL-GOSISDBHSA-N 2 1 344.503 2.699 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001267217186 1093227802 /nfs/dbraw/zinc/22/78/02/1093227802.db2.gz AEUSAZHPWXDGKJ-CRAIPNDOSA-N 2 1 327.488 2.602 10 30 EFEEMP C=CCC[C@@H](C)[NH+](C)CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001267217186 1093227812 /nfs/dbraw/zinc/22/78/12/1093227812.db2.gz AEUSAZHPWXDGKJ-CRAIPNDOSA-N 2 1 327.488 2.602 10 30 EFEEMP C=CCC[C@@H](C)[NH+](C)CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001267217186 1093227818 /nfs/dbraw/zinc/22/78/18/1093227818.db2.gz AEUSAZHPWXDGKJ-CRAIPNDOSA-N 2 1 327.488 2.602 10 30 EFEEMP C=CCC[C@@H](C)[NH2+][C@@H](C)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001267222675 1093255024 /nfs/dbraw/zinc/25/50/24/1093255024.db2.gz PVUFSDLLRMZWLJ-CVEARBPZSA-N 2 1 332.492 2.763 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001267250162 1093367105 /nfs/dbraw/zinc/36/71/05/1093367105.db2.gz HKOYKOZWJMQWND-VQIMIIECSA-N 2 1 341.515 2.992 10 30 EFEEMP C=CCC[C@@H](C)[NH+](CC)CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001267250162 1093367112 /nfs/dbraw/zinc/36/71/12/1093367112.db2.gz HKOYKOZWJMQWND-VQIMIIECSA-N 2 1 341.515 2.992 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001267282088 1093465456 /nfs/dbraw/zinc/46/54/56/1093465456.db2.gz AOBOXXMZCVIITI-RTBURBONSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001267282088 1093465461 /nfs/dbraw/zinc/46/54/61/1093465461.db2.gz AOBOXXMZCVIITI-RTBURBONSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCC[C@@H](C)[N@H+](CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001267331282 1093596699 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C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)CC2 ZINC001268044364 1094775411 /nfs/dbraw/zinc/77/54/11/1094775411.db2.gz DHFCOBRQSIZTJH-IBGZPJMESA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)CC2 ZINC001268045910 1094833431 /nfs/dbraw/zinc/83/34/31/1094833431.db2.gz MVZZLQDZZMQIEP-IBGZPJMESA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001267487142 1094909715 /nfs/dbraw/zinc/90/97/15/1094909715.db2.gz ATEHUXXPGXKILY-MJGOQNOKSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CCCC[NH+]1CC2(C1)CCN(C(=O)CCCn1cc[nH+]c1C)CC2 ZINC001268047301 1094911191 /nfs/dbraw/zinc/91/11/91/1094911191.db2.gz YTFZXXJNAIDOQF-UHFFFAOYSA-N 2 1 344.503 2.862 10 30 EFEEMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001481492815 1094921306 /nfs/dbraw/zinc/92/13/06/1094921306.db2.gz NRWRGWSARQIETK-GOSISDBHSA-N 2 1 343.515 2.761 10 30 EFEEMP C=CCCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001481494205 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C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001267653213 1095335483 /nfs/dbraw/zinc/33/54/83/1095335483.db2.gz NFLYYXWRCOIXLI-RTBURBONSA-N 2 1 347.547 2.997 10 30 EFEEMP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001267657927 1095352145 /nfs/dbraw/zinc/35/21/45/1095352145.db2.gz IEHRABALZZALQA-IEBWSBKVSA-N 2 1 333.520 2.750 10 30 EFEEMP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001267657927 1095352160 /nfs/dbraw/zinc/35/21/60/1095352160.db2.gz IEHRABALZZALQA-IEBWSBKVSA-N 2 1 333.520 2.750 10 30 EFEEMP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001267657927 1095352176 /nfs/dbraw/zinc/35/21/76/1095352176.db2.gz IEHRABALZZALQA-IEBWSBKVSA-N 2 1 333.520 2.750 10 30 EFEEMP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001268123295 1095420279 /nfs/dbraw/zinc/42/02/79/1095420279.db2.gz MLOYOUXGVXMEQB-VQTJNVASSA-N 2 1 347.547 2.927 10 30 EFEEMP 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LZXUYQJMVDSEMV-MJGOQNOKSA-N 2 1 329.488 2.646 10 30 EFEEMP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001267596299 1096119124 /nfs/dbraw/zinc/11/91/24/1096119124.db2.gz LZXUYQJMVDSEMV-MJGOQNOKSA-N 2 1 329.488 2.646 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]21 ZINC001268265617 1096211113 /nfs/dbraw/zinc/21/11/13/1096211113.db2.gz JFSBXIZXFPKQOV-PMACEKPBSA-N 2 1 347.547 2.996 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001481740386 1096481355 /nfs/dbraw/zinc/48/13/55/1096481355.db2.gz BGQMYNJBUMMGKL-QFBILLFUSA-N 2 1 339.499 2.698 10 30 EFEEMP C=CCCC[NH+]1CC[C@H](N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001481740386 1096481359 /nfs/dbraw/zinc/48/13/59/1096481359.db2.gz BGQMYNJBUMMGKL-QFBILLFUSA-N 2 1 339.499 2.698 10 30 EFEEMP C=CCCC[NH+]1CC[C@H](N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001481740386 1096481363 /nfs/dbraw/zinc/48/13/63/1096481363.db2.gz BGQMYNJBUMMGKL-QFBILLFUSA-N 2 1 339.499 2.698 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001481741356 1096485291 /nfs/dbraw/zinc/48/52/91/1096485291.db2.gz KSMPCRAZZKUKIB-HXUWFJFHSA-N 2 1 343.515 2.903 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@H+](CC/C=C/CC)C2)CC1 ZINC001481781805 1096693705 /nfs/dbraw/zinc/69/37/05/1096693705.db2.gz ICGFSCOYKYNILE-DUIUGDAFSA-N 2 1 345.531 2.611 10 30 EFEEMP C=C(C)C[NH2+]CC1(NC(=O)C[C@H](C)n2cc[nH+]c2CC)CCCC1 ZINC001481897119 1096887627 /nfs/dbraw/zinc/88/76/27/1096887627.db2.gz ORLJSDBYHHYKBL-INIZCTEOSA-N 2 1 332.492 2.991 10 30 EFEEMP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001481976335 1097034209 /nfs/dbraw/zinc/03/42/09/1097034209.db2.gz HNSLMXNTWLJORW-PKOBYXMFSA-N 2 1 333.520 2.798 10 30 EFEEMP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)cc1 ZINC001482033225 1097129485 /nfs/dbraw/zinc/12/94/85/1097129485.db2.gz FXNWFSQAICQUHK-VQTJNVASSA-N 2 1 341.499 2.985 10 30 EFEEMP C=CCCCCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)CC2 ZINC001482072032 1097226679 /nfs/dbraw/zinc/22/66/79/1097226679.db2.gz RHOVHWGHWJLOAN-LJQANCHMSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCCCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)C1)CC2 ZINC001482072032 1097226681 /nfs/dbraw/zinc/22/66/81/1097226681.db2.gz RHOVHWGHWJLOAN-LJQANCHMSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCCCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)C1)CC2 ZINC001482072032 1097226684 /nfs/dbraw/zinc/22/66/84/1097226684.db2.gz RHOVHWGHWJLOAN-LJQANCHMSA-N 2 1 347.547 2.999 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001268777312 1097627436 /nfs/dbraw/zinc/62/74/36/1097627436.db2.gz XROYCVOZFBAGQF-MSOLQXFVSA-N 2 1 332.492 2.812 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)N(C)CC)C1 ZINC001269083700 1097839611 /nfs/dbraw/zinc/83/96/11/1097839611.db2.gz KCMKSAIPTXJOMM-OALUTQOASA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001269083700 1097839624 /nfs/dbraw/zinc/83/96/24/1097839624.db2.gz KCMKSAIPTXJOMM-OALUTQOASA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001269083700 1097839632 /nfs/dbraw/zinc/83/96/32/1097839632.db2.gz KCMKSAIPTXJOMM-OALUTQOASA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001269083700 1097839642 /nfs/dbraw/zinc/83/96/42/1097839642.db2.gz KCMKSAIPTXJOMM-OALUTQOASA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001269083700 1097839650 /nfs/dbraw/zinc/83/96/50/1097839650.db2.gz KCMKSAIPTXJOMM-OALUTQOASA-N 2 1 329.488 2.836 10 30 EFEEMP CC#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1CC ZINC001269170342 1097915964 /nfs/dbraw/zinc/91/59/64/1097915964.db2.gz YXAMPJIGSNDTKP-IEBWSBKVSA-N 2 1 347.547 2.879 10 30 EFEEMP CC#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1CC ZINC001269170344 1097916067 /nfs/dbraw/zinc/91/60/67/1097916067.db2.gz YXAMPJIGSNDTKP-PKOBYXMFSA-N 2 1 347.547 2.879 10 30 EFEEMP CC#CC[NH2+]C[C@]1(NC(=O)Cn2cc[nH+]c2C(C)C)CCCC[C@@H]1C ZINC001269670071 1098340884 /nfs/dbraw/zinc/34/08/84/1098340884.db2.gz JNOQJUCFVQGENA-FXAWDEMLSA-N 2 1 344.503 2.685 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001269732321 1098401796 /nfs/dbraw/zinc/40/17/96/1098401796.db2.gz QZFHHVSJWASFLR-UYAOXDASSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001269740567 1098413716 /nfs/dbraw/zinc/41/37/16/1098413716.db2.gz GOIWZITUVILJMD-AZUAARDMSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1C)CC2 ZINC001482242277 1098439930 /nfs/dbraw/zinc/43/99/30/1098439930.db2.gz CIMSWOOISZBCLE-ZWKOTPCHSA-N 2 1 333.520 2.750 10 30 EFEEMP C=C(C)C[NH2+]CCC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001269877238 1098495430 /nfs/dbraw/zinc/49/54/30/1098495430.db2.gz GEYBUWOCEBTUGJ-RBUKOAKNSA-N 2 1 333.520 2.798 10 30 EFEEMP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC001270087601 1098679623 /nfs/dbraw/zinc/67/96/23/1098679623.db2.gz BAFKBKRZTXGBKI-OAQYLSRUSA-N 2 1 349.478 2.719 10 30 EFEEMP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001280162047 1098693761 /nfs/dbraw/zinc/69/37/61/1098693761.db2.gz CJASGTQQQYTFKT-MJGOQNOKSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001280162045 1098693834 /nfs/dbraw/zinc/69/38/34/1098693834.db2.gz CJASGTQQQYTFKT-IEBWSBKVSA-N 2 1 333.520 2.798 10 30 EFEEMP C#CCC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001270118325 1098714429 /nfs/dbraw/zinc/71/44/29/1098714429.db2.gz MIRLJUQSJAPHDW-FQEVSTJZSA-N 2 1 345.531 2.635 10 30 EFEEMP C=CCC[C@H](C)[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001267934495 1098732166 /nfs/dbraw/zinc/73/21/66/1098732166.db2.gz YWDNDLRGVXFTQG-QFBILLFUSA-N 2 1 329.488 2.841 10 30 EFEEMP C=C(C)C[N@@H+](C)CC1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001267758902 1098862776 /nfs/dbraw/zinc/86/27/76/1098862776.db2.gz SDFXNRRBPRVPPR-UHFFFAOYSA-N 2 1 347.547 2.855 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001270254151 1098868353 /nfs/dbraw/zinc/86/83/53/1098868353.db2.gz CZLSUBWZVYHMIN-MOPGFXCFSA-N 2 1 333.520 2.940 10 30 EFEEMP C#CCN(C(=O)C[C@H](C)n1cc[nH+]c1CC)C1CC[NH+](CCC)CC1 ZINC001270315885 1098947405 /nfs/dbraw/zinc/94/74/05/1098947405.db2.gz YLJFYHXOVNMWHS-KRWDZBQOSA-N 2 1 344.503 2.733 10 30 EFEEMP C#CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C1CC[NH+](CC(=C)C)CC1 ZINC001270321686 1098955707 /nfs/dbraw/zinc/95/57/07/1098955707.db2.gz ZENFGSLDNQVKAO-QUCCMNQESA-N 2 1 343.515 2.506 10 30 EFEEMP C#CCN(C(=O)C[C@H](C)n1ccnc1)C1CCN(C/C=C\Cl)CC1 ZINC001270345816 1098988716 /nfs/dbraw/zinc/98/87/16/1098988716.db2.gz PQBUVEJJVHFEOR-OUOZUETKSA-N 2 1 348.878 2.513 10 30 EFEEMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C1CCCC1 ZINC001270411829 1099068478 /nfs/dbraw/zinc/06/84/78/1099068478.db2.gz CQKNBJXPVNNHBH-OALUTQOASA-N 2 1 335.536 2.948 10 30 EFEEMP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1CCCC1 ZINC001270443374 1099094796 /nfs/dbraw/zinc/09/47/96/1099094796.db2.gz SKROWSHJFZDMQK-MOPGFXCFSA-N 2 1 333.520 2.537 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CC1CCCCCC1 ZINC001267806054 1099332950 /nfs/dbraw/zinc/33/29/50/1099332950.db2.gz JYPTXVOOJRTTIM-OALUTQOASA-N 2 1 333.520 2.539 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CC1CCCCCC1 ZINC001267806054 1099332961 /nfs/dbraw/zinc/33/29/61/1099332961.db2.gz JYPTXVOOJRTTIM-OALUTQOASA-N 2 1 333.520 2.539 10 30 EFEEMP C#CCC[NH2+][C@H](C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001481335556 1099351809 /nfs/dbraw/zinc/35/18/09/1099351809.db2.gz UHVZTCVDWQHIFM-DLBZAZTESA-N 2 1 344.503 2.637 10 30 EFEEMP CC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001481342844 1099381109 /nfs/dbraw/zinc/38/11/09/1099381109.db2.gz JPMPXLIEEKXPMI-XLIONFOSSA-N 2 1 341.499 2.529 10 30 EFEEMP C=C(C)CC[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccccc1 ZINC001481370462 1099501797 /nfs/dbraw/zinc/50/17/97/1099501797.db2.gz FRBYSQWPEQSJRX-HKUYNNGSSA-N 2 1 329.488 2.742 10 30 EFEEMP C=C(C)CC[NH2+][C@H](CNC(=O)Cn1c[nH+]cc1C)c1ccccc1 ZINC001481369409 1099504549 /nfs/dbraw/zinc/50/45/49/1099504549.db2.gz SGPDEIHABWYKSQ-GOSISDBHSA-N 2 1 326.444 2.605 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(CC)CC)CCCC1 ZINC001270757613 1099534122 /nfs/dbraw/zinc/53/41/22/1099534122.db2.gz RJJZBBTZDWPDJL-SFHVURJKSA-N 2 1 333.520 2.539 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(CC)CC)CCCC1 ZINC001270757613 1099534135 /nfs/dbraw/zinc/53/41/35/1099534135.db2.gz RJJZBBTZDWPDJL-SFHVURJKSA-N 2 1 333.520 2.539 10 30 EFEEMP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001270778104 1099552850 /nfs/dbraw/zinc/55/28/50/1099552850.db2.gz FCIQCUDSDBUDFY-TZIWHRDSSA-N 2 1 345.531 2.635 10 30 EFEEMP C=C(C[NH+](C)C)C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001623192059 1099566550 /nfs/dbraw/zinc/56/65/50/1099566550.db2.gz QICHRZHRBNBJCQ-PKOBYXMFSA-N 2 1 329.488 2.521 10 30 EFEEMP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001270796852 1099569436 /nfs/dbraw/zinc/56/94/36/1099569436.db2.gz KCRHCBZHTRIGKI-FXAWDEMLSA-N 2 1 344.503 2.548 10 30 EFEEMP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001270796855 1099569561 /nfs/dbraw/zinc/56/95/61/1099569561.db2.gz KCRHCBZHTRIGKI-YLJYHZDGSA-N 2 1 344.503 2.548 10 30 EFEEMP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[C@@H]3CCCC[N@@H+]13)CC2 ZINC001270851195 1099719427 /nfs/dbraw/zinc/71/94/27/1099719427.db2.gz JCHMDAKCBVFTOB-RBUKOAKNSA-N 2 1 345.531 2.894 10 30 EFEEMP C=CC[N@H+](C)CCN(CC)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC001626751153 1099914448 /nfs/dbraw/zinc/91/44/48/1099914448.db2.gz VKJGBNCYJWHZFX-UHFFFAOYSA-N 2 1 338.455 2.827 10 30 EFEEMP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C1CCCCC1 ZINC001482406091 1100042225 /nfs/dbraw/zinc/04/22/25/1100042225.db2.gz MRTOPNZUQRSEON-RBUKOAKNSA-N 2 1 333.520 2.539 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001270974529 1100326589 /nfs/dbraw/zinc/32/65/89/1100326589.db2.gz QTWOTIPYUOTOMT-ICSRJNTNSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001270974529 1100326598 /nfs/dbraw/zinc/32/65/98/1100326598.db2.gz QTWOTIPYUOTOMT-ICSRJNTNSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001270974529 1100326604 /nfs/dbraw/zinc/32/66/04/1100326604.db2.gz QTWOTIPYUOTOMT-ICSRJNTNSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CCC[C@@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001270984265 1100338126 /nfs/dbraw/zinc/33/81/26/1100338126.db2.gz ZEDFPYWTNCYWDI-HKUYNNGSSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001271100975 1100481575 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FCWPOOUCSBGYEP-ICSRJNTNSA-N 2 1 345.531 2.730 10 30 EFEEMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001483986629 1112632030 /nfs/dbraw/zinc/63/20/30/1112632030.db2.gz MGXQWUCUFBVHCU-FHWLQOOXSA-N 2 1 347.547 2.689 10 30 EFEEMP C#CCN(C(=O)Cn1cc[nH+]c1C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001483989428 1112635151 /nfs/dbraw/zinc/63/51/51/1112635151.db2.gz JGKZCJKGZCLJET-UHFFFAOYSA-N 2 1 344.503 2.554 10 30 EFEEMP C=C(C)C[NH+]1CCC(F)(F)[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001484195304 1112909621 /nfs/dbraw/zinc/90/96/21/1112909621.db2.gz KFQHOEHQPBLSGR-HOTGVXAUSA-N 2 1 343.462 2.510 10 30 EFEEMP C=C(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001484195304 1112909626 /nfs/dbraw/zinc/90/96/26/1112909626.db2.gz KFQHOEHQPBLSGR-HOTGVXAUSA-N 2 1 343.462 2.510 10 30 EFEEMP C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001484195304 1112909631 /nfs/dbraw/zinc/90/96/31/1112909631.db2.gz KFQHOEHQPBLSGR-HOTGVXAUSA-N 2 1 343.462 2.510 10 30 EFEEMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001484568438 1113023614 /nfs/dbraw/zinc/02/36/14/1113023614.db2.gz JJNURCXRFDJIFV-KZNAEPCWSA-N 2 1 344.503 2.685 10 30 EFEEMP C=CCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001484581200 1113034659 /nfs/dbraw/zinc/03/46/59/1113034659.db2.gz BGZDMHFVPXPHEC-GOSISDBHSA-N 2 1 333.520 2.609 10 30 EFEEMP C=C(C)CC[NH+]1CCc2c(CNC(=O)C[N@H+](C)CCC)cccc2C1 ZINC001484612331 1113054351 /nfs/dbraw/zinc/05/43/51/1113054351.db2.gz YQJOTGGXNBVJPL-UHFFFAOYSA-N 2 1 343.515 2.969 10 30 EFEEMP C=C(C)CC[N@H+]1CCc2c(CNC(=O)C[NH+](C)CCC)cccc2C1 ZINC001484612331 1113054354 /nfs/dbraw/zinc/05/43/54/1113054354.db2.gz YQJOTGGXNBVJPL-UHFFFAOYSA-N 2 1 343.515 2.969 10 30 EFEEMP C=C(C)CC[N@@H+]1CCc2c(CNC(=O)C[NH+](C)CCC)cccc2C1 ZINC001484612331 1113054357 /nfs/dbraw/zinc/05/43/57/1113054357.db2.gz YQJOTGGXNBVJPL-UHFFFAOYSA-N 2 1 343.515 2.969 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001484829118 1117747490 /nfs/dbraw/zinc/74/74/90/1117747490.db2.gz DSQIRWCDMNKCIX-LJQANCHMSA-N 2 1 333.520 2.609 10 30 EFEEMP C=C(C)CC[N@@H+]1Cc2ccc(CNC(=O)[C@H](CC)[NH+](C)C)cc2C1 ZINC001484875514 1117790383 /nfs/dbraw/zinc/79/03/83/1117790383.db2.gz HTWQADNDELRUDI-IBGZPJMESA-N 2 1 329.488 2.925 10 30 EFEEMP C=C(C)CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001484924743 1117828410 /nfs/dbraw/zinc/82/84/10/1117828410.db2.gz VXSFFWZYMINJRG-MSOLQXFVSA-N 2 1 333.520 2.940 10 30 EFEEMP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001484928475 1117832497 /nfs/dbraw/zinc/83/24/97/1117832497.db2.gz VCCHVKRRMWKDCV-UHFFFAOYSA-N 2 1 349.906 2.842 10 30 EFEEMP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001484928475 1117832502 /nfs/dbraw/zinc/83/25/02/1117832502.db2.gz VCCHVKRRMWKDCV-UHFFFAOYSA-N 2 1 349.906 2.842 10 30 EFEEMP CC#CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001484921810 1117838274 /nfs/dbraw/zinc/83/82/74/1117838274.db2.gz FGKGIYBIBVNAIC-IBGZPJMESA-N 2 1 345.531 2.778 10 30 EFEEMP CC#CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001484921811 1117838617 /nfs/dbraw/zinc/83/86/17/1117838617.db2.gz FGKGIYBIBVNAIC-LJQANCHMSA-N 2 1 345.531 2.778 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCCCC)[C@H](C)C2)CC1 ZINC001484985786 1117911523 /nfs/dbraw/zinc/91/15/23/1117911523.db2.gz KRNIOMXOKWWTOA-QUCCMNQESA-N 2 1 347.547 2.881 10 30 EFEEMP C=C(C)CN1CCc2ccccc2[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001485004218 1117933035 /nfs/dbraw/zinc/93/30/35/1117933035.db2.gz LOEJZCWMRISRCG-HXUWFJFHSA-N 2 1 341.499 2.762 10 30 EFEEMP C=C(C)C[NH+]1CCc2ccccc2[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001485004218 1117933039 /nfs/dbraw/zinc/93/30/39/1117933039.db2.gz LOEJZCWMRISRCG-HXUWFJFHSA-N 2 1 341.499 2.762 10 30 EFEEMP C=C(C)C[NH+]1CCc2ccccc2[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001485004218 1117933042 /nfs/dbraw/zinc/93/30/42/1117933042.db2.gz LOEJZCWMRISRCG-HXUWFJFHSA-N 2 1 341.499 2.762 10 30 EFEEMP C=C(C)C[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001485004218 1117933046 /nfs/dbraw/zinc/93/30/46/1117933046.db2.gz LOEJZCWMRISRCG-HXUWFJFHSA-N 2 1 341.499 2.762 10 30 EFEEMP C=CCC[C@H](C)[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001485043988 1117962859 /nfs/dbraw/zinc/96/28/59/1117962859.db2.gz JLKYDPVCIHTBDG-YGWPLHOASA-N 2 1 341.499 2.807 10 30 EFEEMP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001485039462 1117972627 /nfs/dbraw/zinc/97/26/27/1117972627.db2.gz CJXMTTYLJINZFV-ROUUACIJSA-N 2 1 344.503 2.691 10 30 EFEEMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001485080913 1118030517 /nfs/dbraw/zinc/03/05/17/1118030517.db2.gz XITIYWMDULMIDA-KRWDZBQOSA-N 2 1 345.487 2.681 10 30 EFEEMP C=CC[NH2+]C1CCC(N(C)C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001485241766 1118173376 /nfs/dbraw/zinc/17/33/76/1118173376.db2.gz NAYOSWWPZXDIAA-UHFFFAOYSA-N 2 1 343.515 2.706 10 30 EFEEMP C=CCCC[N@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001485664045 1118513326 /nfs/dbraw/zinc/51/33/26/1118513326.db2.gz NMVPIMNDLJCTFA-UHFFFAOYSA-N 2 1 344.503 2.897 10 30 EFEEMP C=CCCC[N@@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001485664045 1118513327 /nfs/dbraw/zinc/51/33/27/1118513327.db2.gz NMVPIMNDLJCTFA-UHFFFAOYSA-N 2 1 344.503 2.897 10 30 EFEEMP C=C(C)C[NH2+]CCC[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001485779323 1118587830 /nfs/dbraw/zinc/58/78/30/1118587830.db2.gz ADZKLVPYRXPIED-RBUKOAKNSA-N 2 1 329.488 2.742 10 30 EFEEMP CC#CC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000940780251 1118633183 /nfs/dbraw/zinc/63/31/83/1118633183.db2.gz OGDDFAKWQUNLBT-INIZCTEOSA-N 2 1 347.528 2.663 10 30 EFEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000940780252 1118633316 /nfs/dbraw/zinc/63/33/16/1118633316.db2.gz OGDDFAKWQUNLBT-MRXNPFEDSA-N 2 1 347.528 2.663 10 30 EFEEMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940800797 1118634176 /nfs/dbraw/zinc/63/41/76/1118634176.db2.gz HMHCBBZEUHNXFH-OALUTQOASA-N 2 1 345.531 2.633 10 30 EFEEMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000940800797 1118634179 /nfs/dbraw/zinc/63/41/79/1118634179.db2.gz HMHCBBZEUHNXFH-OALUTQOASA-N 2 1 345.531 2.633 10 30 EFEEMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940800797 1118634180 /nfs/dbraw/zinc/63/41/80/1118634180.db2.gz HMHCBBZEUHNXFH-OALUTQOASA-N 2 1 345.531 2.633 10 30 EFEEMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000941027078 1118657859 /nfs/dbraw/zinc/65/78/59/1118657859.db2.gz RRGGUVXNLSNAJK-DNVCBOLYSA-N 2 1 339.499 2.602 10 30 EFEEMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000941027078 1118657860 /nfs/dbraw/zinc/65/78/60/1118657860.db2.gz RRGGUVXNLSNAJK-DNVCBOLYSA-N 2 1 339.499 2.602 10 30 EFEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000941027078 1118657863 /nfs/dbraw/zinc/65/78/63/1118657863.db2.gz RRGGUVXNLSNAJK-DNVCBOLYSA-N 2 1 339.499 2.602 10 30 EFEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000941238183 1118695180 /nfs/dbraw/zinc/69/51/80/1118695180.db2.gz UMOMBHFODBZMAV-GOSISDBHSA-N 2 1 329.488 2.765 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCC(C)C)CC2(C)C)CC1 ZINC000941238491 1118696253 /nfs/dbraw/zinc/69/62/53/1118696253.db2.gz XJCNGZRHQALPJI-LJQANCHMSA-N 2 1 347.547 2.594 10 30 EFEEMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000330182934 282211106 /nfs/dbraw/zinc/21/11/06/282211106.db2.gz HPXFSHWSXLQPCB-FBVQUNGASA-N 2 1 345.491 2.585 10 30 EFEEMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000330182934 282211108 /nfs/dbraw/zinc/21/11/08/282211108.db2.gz HPXFSHWSXLQPCB-FBVQUNGASA-N 2 1 345.491 2.585 10 30 EFEEMP Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000330182934 282211115 /nfs/dbraw/zinc/21/11/15/282211115.db2.gz HPXFSHWSXLQPCB-FBVQUNGASA-N 2 1 345.491 2.585 10 30 EFEEMP Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000330182934 282211118 /nfs/dbraw/zinc/21/11/18/282211118.db2.gz HPXFSHWSXLQPCB-FBVQUNGASA-N 2 1 345.491 2.585 10 30 EFEEMP C[NH+]=C(NC[C@H]1CCC[N@H+]1C)NCC1CCC(C(F)(F)F)CC1 ZINC000262540249 240358986 /nfs/dbraw/zinc/35/89/86/240358986.db2.gz QZJCSYCBWRMNKG-JXQTWKCFSA-N 2 1 334.430 2.614 10 30 EFEEMP C[NH+]=C(NCc1ccc(Cl)s1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000245620002 240257239 /nfs/dbraw/zinc/25/72/39/240257239.db2.gz NLNAXKZYXBFNDA-WCQYABFASA-N 2 1 328.913 2.795 10 30 EFEEMP C[NH+]=C(NCc1ccc(Cl)s1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000245619999 240257819 /nfs/dbraw/zinc/25/78/19/240257819.db2.gz NLNAXKZYXBFNDA-DGCLKSJQSA-N 2 1 328.913 2.795 10 30 EFEEMP C=CCC[C@H](O)C[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000246878147 240274177 /nfs/dbraw/zinc/27/41/77/240274177.db2.gz DMZXEEXGIPJJBZ-SFTDATJTSA-N 2 1 346.515 2.691 10 30 EFEEMP C[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2cc(F)ccc2F)[C@@H]1c1cccnc1 ZINC000263185662 240381394 /nfs/dbraw/zinc/38/13/94/240381394.db2.gz UTVRVSYQOSGXGB-GUYCJALGSA-N 2 1 345.397 2.779 10 30 EFEEMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000328978180 241282706 /nfs/dbraw/zinc/28/27/06/241282706.db2.gz CGSAXGADHWABIB-OAFZBRQQSA-N 2 1 347.507 2.632 10 30 EFEEMP C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414674645 244287045 /nfs/dbraw/zinc/28/70/45/244287045.db2.gz DYJKJIHSHGHQEF-ZDUSSCGKSA-N 2 1 341.908 2.587 10 30 EFEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000154587335 224275845 /nfs/dbraw/zinc/27/58/45/224275845.db2.gz KDGNFAPLXUWYCY-KBXCAEBGSA-N 2 1 337.427 2.555 10 30 EFEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000154587335 224275848 /nfs/dbraw/zinc/27/58/48/224275848.db2.gz KDGNFAPLXUWYCY-KBXCAEBGSA-N 2 1 337.427 2.555 10 30 EFEEMP COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178294407 533503403 /nfs/dbraw/zinc/50/34/03/533503403.db2.gz ZMKKDPGMKZDLJK-QGZVFWFLSA-N 2 1 340.427 2.615 10 30 EFEEMP COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178294407 533503408 /nfs/dbraw/zinc/50/34/08/533503408.db2.gz ZMKKDPGMKZDLJK-QGZVFWFLSA-N 2 1 340.427 2.615 10 30 EFEEMP C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000342767334 145187853 /nfs/dbraw/zinc/18/78/53/145187853.db2.gz ALUBDPPAUIPMNW-RDJZCZTQSA-N 2 1 337.471 2.949 10 30 EFEEMP C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000342767334 145187854 /nfs/dbraw/zinc/18/78/54/145187854.db2.gz ALUBDPPAUIPMNW-RDJZCZTQSA-N 2 1 337.471 2.949 10 30 EFEEMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@@H+]1C ZINC000123463660 222282331 /nfs/dbraw/zinc/28/23/31/222282331.db2.gz SINJNVAGDXLFTO-CZUORRHYSA-N 2 1 348.878 2.955 10 30 EFEEMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@H+]1C ZINC000123463660 222282334 /nfs/dbraw/zinc/28/23/34/222282334.db2.gz SINJNVAGDXLFTO-CZUORRHYSA-N 2 1 348.878 2.955 10 30 EFEEMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[NH+]1C ZINC000123463660 222282335 /nfs/dbraw/zinc/28/23/35/222282335.db2.gz SINJNVAGDXLFTO-CZUORRHYSA-N 2 1 348.878 2.955 10 30 EFEEMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[NH+]1C ZINC000123463660 222282339 /nfs/dbraw/zinc/28/23/39/222282339.db2.gz SINJNVAGDXLFTO-CZUORRHYSA-N 2 1 348.878 2.955 10 30 EFEEMP CC[NH+]=C(NC[C@H](C)[NH+](C)C)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000261970966 275803012 /nfs/dbraw/zinc/80/30/12/275803012.db2.gz MVPMXDOFDYLYPL-HOCLYGCPSA-N 2 1 332.492 2.794 10 30 EFEEMP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171139468 473299396 /nfs/dbraw/zinc/29/93/96/473299396.db2.gz TYRQWOOOOZBKLF-INIZCTEOSA-N 2 1 340.471 2.693 10 30 EFEEMP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171139473 473299682 /nfs/dbraw/zinc/29/96/82/473299682.db2.gz TYRQWOOOOZBKLF-MRXNPFEDSA-N 2 1 340.471 2.693 10 30 EFEEMP Cc1cc(C#N)cc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n1 ZINC000601121172 468750274 /nfs/dbraw/zinc/75/02/74/468750274.db2.gz LXHQIUUYYKJJNJ-UHFFFAOYSA-N 2 1 327.476 2.624 10 30 EFEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ncc(C#N)c2ccsc21 ZINC000601190505 468776137 /nfs/dbraw/zinc/77/61/37/468776137.db2.gz AGCGPZSQKLMLID-ZDUSSCGKSA-N 2 1 331.489 2.852 10 30 EFEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ncc(C#N)c2ccsc21 ZINC000601190505 468776141 /nfs/dbraw/zinc/77/61/41/468776141.db2.gz AGCGPZSQKLMLID-ZDUSSCGKSA-N 2 1 331.489 2.852 10 30 EFEEMP CN1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000048783128 472909979 /nfs/dbraw/zinc/90/99/79/472909979.db2.gz RELSVWIDJLNGRT-UHFFFAOYSA-N 2 1 334.467 2.595 10 30 EFEEMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnc3ccc(C#N)cn23)c1 ZINC000123634531 473167166 /nfs/dbraw/zinc/16/71/66/473167166.db2.gz ZUKMVMBCINFOQG-UHFFFAOYSA-N 2 1 333.439 2.947 10 30 EFEEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC#Cc2cccc(Cl)c2)CC1 ZINC000178973619 473603300 /nfs/dbraw/zinc/60/33/00/473603300.db2.gz BMLISPNYSYDIJO-MRXNPFEDSA-N 2 1 334.891 2.716 10 30 EFEEMP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000182011902 474079927 /nfs/dbraw/zinc/07/99/27/474079927.db2.gz GKMGNXDRZMDOIU-UTKZUKDTSA-N 2 1 340.515 2.841 10 30 EFEEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000182011902 474079938 /nfs/dbraw/zinc/07/99/38/474079938.db2.gz GKMGNXDRZMDOIU-UTKZUKDTSA-N 2 1 340.515 2.841 10 30 EFEEMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2sccc2C#N)[C@H](C)C1 ZINC000175717761 474290427 /nfs/dbraw/zinc/29/04/27/474290427.db2.gz CLLXXJAYKHUBLN-UKRRQHHQSA-N 2 1 334.489 2.610 10 30 EFEEMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2sccc2C#N)[C@H](C)C1 ZINC000175717761 474290435 /nfs/dbraw/zinc/29/04/35/474290435.db2.gz CLLXXJAYKHUBLN-UKRRQHHQSA-N 2 1 334.489 2.610 10 30 EFEEMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2sccc2C#N)[C@H](C)C1 ZINC000175717761 474290444 /nfs/dbraw/zinc/29/04/44/474290444.db2.gz CLLXXJAYKHUBLN-UKRRQHHQSA-N 2 1 334.489 2.610 10 30 EFEEMP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000248963059 474491810 /nfs/dbraw/zinc/49/18/10/474491810.db2.gz RILBTTWRFFLUDF-FXAWDEMLSA-N 2 1 326.488 2.721 10 30 EFEEMP C[C@@H](c1cccc(C#N)c1)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000248963059 474491814 /nfs/dbraw/zinc/49/18/14/474491814.db2.gz RILBTTWRFFLUDF-FXAWDEMLSA-N 2 1 326.488 2.721 10 30 EFEEMP Cn1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cc1C#N ZINC000310837549 474828192 /nfs/dbraw/zinc/82/81/92/474828192.db2.gz MZPDQXWKCNXPTO-HMXCVIKNSA-N 2 1 334.467 2.897 10 30 EFEEMP C[N@H+]1CC[C@]2(CC[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)C1 ZINC000292085166 474840547 /nfs/dbraw/zinc/84/05/47/474840547.db2.gz GDYOYRQKBVZJIT-SFHVURJKSA-N 2 1 346.862 2.568 10 30 EFEEMP C[C@@H]1CCN(C([O-])=[NH+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H]1n1ccnc1 ZINC000329970976 475175502 /nfs/dbraw/zinc/17/55/02/475175502.db2.gz XKULNUZGTPDYIZ-AJYUKVHDSA-N 2 1 345.491 2.695 10 30 EFEEMP C[C@@H]1CCN(C([O-])=[NH+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H]1n1ccnc1 ZINC000329970976 475175509 /nfs/dbraw/zinc/17/55/09/475175509.db2.gz XKULNUZGTPDYIZ-AJYUKVHDSA-N 2 1 345.491 2.695 10 30 EFEEMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cccc(C#N)c2)[C@@H](C)C1 ZINC000429797246 476692716 /nfs/dbraw/zinc/69/27/16/476692716.db2.gz UUAIHQRYACQRGN-YJBOKZPZSA-N 2 1 328.460 2.549 10 30 EFEEMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2cccc(C#N)c2)[C@@H](C)C1 ZINC000429797246 476692725 /nfs/dbraw/zinc/69/27/25/476692725.db2.gz UUAIHQRYACQRGN-YJBOKZPZSA-N 2 1 328.460 2.549 10 30 EFEEMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)[C@@H](C)C1 ZINC000429797246 476692733 /nfs/dbraw/zinc/69/27/33/476692733.db2.gz UUAIHQRYACQRGN-YJBOKZPZSA-N 2 1 328.460 2.549 10 30 EFEEMP N#C[C@@H]1CCCC[C@H]1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390878301 476807762 /nfs/dbraw/zinc/80/77/62/476807762.db2.gz UBVRPJOSYSVPKO-XUVXKRRUSA-N 2 1 327.472 2.949 10 30 EFEEMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)c1 ZINC000594437689 478387864 /nfs/dbraw/zinc/38/78/64/478387864.db2.gz KSWLMEIRPCCBMT-SFHVURJKSA-N 2 1 330.476 2.554 10 30 EFEEMP N#CC1(C[C@H](O)C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000600718671 478483472 /nfs/dbraw/zinc/48/34/72/478483472.db2.gz AEWQMQMQZJGBET-MOPGFXCFSA-N 2 1 327.472 2.543 10 30 EFEEMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)[C@H]1c1cccs1 ZINC000600726706 478488855 /nfs/dbraw/zinc/48/88/55/478488855.db2.gz UFTSPPCDMZNAON-INMHGKMJSA-N 2 1 333.501 2.775 10 30 EFEEMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)[C@H]1c1cccs1 ZINC000600726706 478488863 /nfs/dbraw/zinc/48/88/63/478488863.db2.gz UFTSPPCDMZNAON-INMHGKMJSA-N 2 1 333.501 2.775 10 30 EFEEMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)[C@H]1c1cccs1 ZINC000600726707 478491266 /nfs/dbraw/zinc/49/12/66/478491266.db2.gz UFTSPPCDMZNAON-VYDXJSESSA-N 2 1 333.501 2.775 10 30 EFEEMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)[C@H]1c1cccs1 ZINC000600726707 478491273 /nfs/dbraw/zinc/49/12/73/478491273.db2.gz UFTSPPCDMZNAON-VYDXJSESSA-N 2 1 333.501 2.775 10 30 EFEEMP N#CC1(c2ccc(C[NH2+]CCCC[N@@H+]3CCC[C@@H]3CO)cc2)CC1 ZINC000594928490 478590733 /nfs/dbraw/zinc/59/07/33/478590733.db2.gz ZKWUKIKLCKDEAL-LJQANCHMSA-N 2 1 327.472 2.568 10 30 EFEEMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(C#N)cc1 ZINC000595067643 478649412 /nfs/dbraw/zinc/64/94/12/478649412.db2.gz HQNSROQLRZARFQ-HRAATJIYSA-N 2 1 335.451 2.976 10 30 EFEEMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000528365836 478736962 /nfs/dbraw/zinc/73/69/62/478736962.db2.gz DCIUZMIQYIJSJA-FQEVSTJZSA-N 2 1 341.499 2.885 10 30 EFEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nc2c(cc1C#N)CCCC2 ZINC000596362983 479265913 /nfs/dbraw/zinc/26/59/13/479265913.db2.gz GXHRVXPTMUVCQJ-HNNXBMFYSA-N 2 1 329.492 2.516 10 30 EFEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nc2c(cc1C#N)CCCC2 ZINC000596362983 479265920 /nfs/dbraw/zinc/26/59/20/479265920.db2.gz GXHRVXPTMUVCQJ-HNNXBMFYSA-N 2 1 329.492 2.516 10 30 EFEEMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(C2(C#N)CC2)cc1 ZINC000597030711 479542860 /nfs/dbraw/zinc/54/28/60/479542860.db2.gz VBBGTUSFRVSIEP-VAMGGRTRSA-N 2 1 339.483 2.925 10 30 EFEEMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@](C)(C#N)C2)CC1 ZINC000597230666 479632555 /nfs/dbraw/zinc/63/25/55/479632555.db2.gz SYKXECVSZWGEHR-HXUWFJFHSA-N 2 1 326.488 2.954 10 30 EFEEMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@](C)(C#N)C2)CC1 ZINC000597230666 479632562 /nfs/dbraw/zinc/63/25/62/479632562.db2.gz SYKXECVSZWGEHR-HXUWFJFHSA-N 2 1 326.488 2.954 10 30 EFEEMP CC(C)(C#N)c1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000614159904 480209250 /nfs/dbraw/zinc/20/92/50/480209250.db2.gz VNBNCRCOKKFNSK-UHFFFAOYSA-N 2 1 340.515 2.701 10 30 EFEEMP C=CC[C@@]1(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CCC[NH2+]1 ZINC000662663255 481922087 /nfs/dbraw/zinc/92/20/87/481922087.db2.gz GNWHZAWXNRMKBF-AEFFLSMTSA-N 2 1 335.879 2.757 10 30 EFEEMP C=CC[C@@]1(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662693790 481936771 /nfs/dbraw/zinc/93/67/71/481936771.db2.gz RAXJZNGGVDLBJY-CTNGQTDRSA-N 2 1 341.499 2.713 10 30 EFEEMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000171649902 527636368 /nfs/dbraw/zinc/63/63/68/527636368.db2.gz CWEOLDUYOLIAKZ-ROUUACIJSA-N 2 1 342.487 2.713 10 30 EFEEMP CC[NH+]=C(NCC1CCSCC1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000262767357 535260115 /nfs/dbraw/zinc/26/01/15/535260115.db2.gz HQVUQODCKJTQAI-INIZCTEOSA-N 2 1 338.565 2.702 10 30 EFEEMP CC(C)[NH+]=C(NCCc1ccco1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262702595 535338580 /nfs/dbraw/zinc/33/85/80/535338580.db2.gz ZKYMCQREUNVAGU-ALOPSCKCSA-N 2 1 332.492 2.781 10 30 EFEEMP C=CCCn1cc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)nn1 ZINC000657298351 547092215 /nfs/dbraw/zinc/09/22/15/547092215.db2.gz SPFGYLKPPJXNEJ-UHFFFAOYSA-N 2 1 325.460 2.740 10 30 EFEEMP C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000756542242 575757735 /nfs/dbraw/zinc/75/77/35/575757735.db2.gz GSWRJFZJDXBGQH-HXUWFJFHSA-N 2 1 340.467 2.927 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001691409919 1248748035 /nfs/dbraw/zinc/74/80/35/1248748035.db2.gz JJVFBDGQKJZQAR-FXAWDEMLSA-N 2 1 347.547 2.996 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CCCCC1 ZINC001268121786 1249697918 /nfs/dbraw/zinc/69/79/18/1249697918.db2.gz XIHILANXGNKSIB-HKUYNNGSSA-N 2 1 335.536 2.949 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CCCCC1 ZINC001268121790 1249697956 /nfs/dbraw/zinc/69/79/56/1249697956.db2.gz XIHILANXGNKSIB-PKOBYXMFSA-N 2 1 335.536 2.949 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)[C@@H](CC)c2ccccc2)CC1 ZINC001691000665 1247917973 /nfs/dbraw/zinc/91/79/73/1247917973.db2.gz OAXIMMURTQDTJX-FQEVSTJZSA-N 2 1 341.499 2.531 10 30 EFEEMP C=C(C)CC[N@H+](C)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001772541994 1248274725 /nfs/dbraw/zinc/27/47/25/1248274725.db2.gz KEKQOBZZIXDXBE-QZTJIDSGSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001691061066 1248327556 /nfs/dbraw/zinc/32/75/56/1248327556.db2.gz CJWWEUKDRCLAHZ-IRXDYDNUSA-N 2 1 332.492 2.894 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001691061066 1248327561 /nfs/dbraw/zinc/32/75/61/1248327561.db2.gz CJWWEUKDRCLAHZ-IRXDYDNUSA-N 2 1 332.492 2.894 10 30 EFEEMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001691079719 1248372178 /nfs/dbraw/zinc/37/21/78/1248372178.db2.gz PBSZXAXAHKYDGF-IAGOWNOFSA-N 2 1 332.492 2.943 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001691079719 1248372185 /nfs/dbraw/zinc/37/21/85/1248372185.db2.gz PBSZXAXAHKYDGF-IAGOWNOFSA-N 2 1 332.492 2.943 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001691106643 1248417290 /nfs/dbraw/zinc/41/72/90/1248417290.db2.gz YFMNTBKSEHMLEE-MOPGFXCFSA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001691106643 1248417300 /nfs/dbraw/zinc/41/73/00/1248417300.db2.gz YFMNTBKSEHMLEE-MOPGFXCFSA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001691106643 1248417310 /nfs/dbraw/zinc/41/73/10/1248417310.db2.gz YFMNTBKSEHMLEE-MOPGFXCFSA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001691106643 1248417318 /nfs/dbraw/zinc/41/73/18/1248417318.db2.gz YFMNTBKSEHMLEE-MOPGFXCFSA-N 2 1 329.488 2.836 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CC/C=C\CCC)CC1 ZINC001691112613 1248433721 /nfs/dbraw/zinc/43/37/21/1248433721.db2.gz IQTFWKQMMXJRTG-HCZHMGAMSA-N 2 1 345.531 2.659 10 30 EFEEMP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001691200548 1248526742 /nfs/dbraw/zinc/52/67/42/1248526742.db2.gz YQWQRFGZNAMGKP-RBUKOAKNSA-N 2 1 343.515 2.735 10 30 EFEEMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001691200548 1248526752 /nfs/dbraw/zinc/52/67/52/1248526752.db2.gz YQWQRFGZNAMGKP-RBUKOAKNSA-N 2 1 343.515 2.735 10 30 EFEEMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001691200548 1248526759 /nfs/dbraw/zinc/52/67/59/1248526759.db2.gz YQWQRFGZNAMGKP-RBUKOAKNSA-N 2 1 343.515 2.735 10 30 EFEEMP CC#CC[N@@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001692030348 1248550841 /nfs/dbraw/zinc/55/08/41/1248550841.db2.gz MUPUNANRCSTQPO-HXUWFJFHSA-N 2 1 347.547 2.691 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N2CCC(C[N@H+](C)C[C@H](C)CC)CC2)CC1 ZINC001692030298 1248551478 /nfs/dbraw/zinc/55/14/78/1248551478.db2.gz KLFCJLCGXFAPCI-GOSISDBHSA-N 2 1 347.547 2.548 10 30 EFEEMP C=CCCC[NH2+]C[C@H](NC(=O)[C@@]12CC[N@@H+](C1)CCC2)C1CCCC1 ZINC001270448792 1250468644 /nfs/dbraw/zinc/46/86/44/1250468644.db2.gz GBCYUEGNQMSMLA-ICSRJNTNSA-N 2 1 333.520 2.703 10 30 EFEEMP C=C(C)CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001691556360 1251770474 /nfs/dbraw/zinc/77/04/74/1251770474.db2.gz BEIHQQNDXBASPJ-XUVXKRRUSA-N 2 1 343.515 2.877 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1cc[nH+]c1C)C2 ZINC001484391163 1252500949 /nfs/dbraw/zinc/50/09/49/1252500949.db2.gz IJZQMOKNFSZLQG-OQIJWPOYSA-N 2 1 344.503 2.905 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1cc[nH+]c1C)C2 ZINC001484391163 1252500955 /nfs/dbraw/zinc/50/09/55/1252500955.db2.gz IJZQMOKNFSZLQG-OQIJWPOYSA-N 2 1 344.503 2.905 10 30 EFEEMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001484388848 1252512733 /nfs/dbraw/zinc/51/27/33/1252512733.db2.gz MNYATZFXIOTZHN-FJIDUMEYSA-N 2 1 344.503 2.942 10 30 EFEEMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001484388848 1252512742 /nfs/dbraw/zinc/51/27/42/1252512742.db2.gz MNYATZFXIOTZHN-FJIDUMEYSA-N 2 1 344.503 2.942 10 30 EFEEMP C=CC[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001484772332 1252947160 /nfs/dbraw/zinc/94/71/60/1252947160.db2.gz QWPHNWMKRUBCMN-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001484772332 1252947174 /nfs/dbraw/zinc/94/71/74/1252947174.db2.gz QWPHNWMKRUBCMN-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001484772332 1252947177 /nfs/dbraw/zinc/94/71/77/1252947177.db2.gz QWPHNWMKRUBCMN-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001670989276 1259347493 /nfs/dbraw/zinc/34/74/93/1259347493.db2.gz OXTNRGFECOJGCB-NRFANRHFSA-N 2 1 345.531 2.751 10 30 EFEEMP C=CCC[NH+](CC1CC1)C1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001670989276 1259347501 /nfs/dbraw/zinc/34/75/01/1259347501.db2.gz OXTNRGFECOJGCB-NRFANRHFSA-N 2 1 345.531 2.751 10 30 EFEEMP C=CCC[NH+](CC1CC1)C1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001670989276 1259347508 /nfs/dbraw/zinc/34/75/08/1259347508.db2.gz OXTNRGFECOJGCB-NRFANRHFSA-N 2 1 345.531 2.751 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C)Cc3c[nH]cn3)C2)C1 ZINC001671039508 1259847927 /nfs/dbraw/zinc/84/79/27/1259847927.db2.gz OXLKLDHRMLNOAH-FXAWDEMLSA-N 2 1 344.503 2.869 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C)Cc3cnc[nH]3)C2)C1 ZINC001671039508 1259847937 /nfs/dbraw/zinc/84/79/37/1259847937.db2.gz OXLKLDHRMLNOAH-FXAWDEMLSA-N 2 1 344.503 2.869 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C)Cc3cnc[nH]3)C2)C1 ZINC001671039508 1259847947 /nfs/dbraw/zinc/84/79/47/1259847947.db2.gz OXLKLDHRMLNOAH-FXAWDEMLSA-N 2 1 344.503 2.869 10 30 EFEEMP C=C(C)CC[N@@H+]1CCc2c(CNC(=O)[C@@H](CC)[NH+](C)C)cccc2C1 ZINC001272917460 1261331575 /nfs/dbraw/zinc/33/15/75/1261331575.db2.gz YXIBNIXSIHEIDJ-HXUWFJFHSA-N 2 1 343.515 2.967 10 30 EFEEMP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@H]21 ZINC001486165573 1262727128 /nfs/dbraw/zinc/72/71/28/1262727128.db2.gz GXGKDGBNLYPAGD-IPMKNSEASA-N 2 1 344.503 2.765 10 30 EFEEMP C=CCCCCC[NH2+][C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001486247648 1262851479 /nfs/dbraw/zinc/85/14/79/1262851479.db2.gz JGLNCEWNKCAKIV-ROUUACIJSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCCCCC[NH2+][C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001486247646 1262851647 /nfs/dbraw/zinc/85/16/47/1262851647.db2.gz JGLNCEWNKCAKIV-MSOLQXFVSA-N 2 1 335.536 2.901 10 30 EFEEMP CCCCCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC1(C)C ZINC001486248636 1262853163 /nfs/dbraw/zinc/85/31/63/1262853163.db2.gz FLGOQCKNVJBPSL-QGZVFWFLSA-N 2 1 334.508 2.989 10 30 EFEEMP C=C(C)C[NH+]1CCC(C2(NC(=O)CC[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001486488944 1263229431 /nfs/dbraw/zinc/22/94/31/1263229431.db2.gz UKGFAHYFDJXCBT-GOSISDBHSA-N 2 1 333.520 2.798 10 30 EFEEMP C=C(C[NH+](C)C)C(=O)N(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001136362175 1277268489 /nfs/dbraw/zinc/26/84/89/1277268489.db2.gz SBJXOHIQZYQMJW-HKUYNNGSSA-N 2 1 329.488 2.788 10 30 EFEEMP C=CCCC[N@H+](C)CN1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844693763 1279183153 /nfs/dbraw/zinc/18/31/53/1279183153.db2.gz DURUFBAXWOYQMB-PMACEKPBSA-N 2 1 341.499 2.822 10 30 EFEEMP C=CCCC[NH+](C)CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844693763 1279183160 /nfs/dbraw/zinc/18/31/60/1279183160.db2.gz DURUFBAXWOYQMB-PMACEKPBSA-N 2 1 341.499 2.822 10 30 EFEEMP C=CCCC[NH+](C)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844693763 1279183166 /nfs/dbraw/zinc/18/31/66/1279183166.db2.gz DURUFBAXWOYQMB-PMACEKPBSA-N 2 1 341.499 2.822 10 30 EFEEMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000846006202 1279974729 /nfs/dbraw/zinc/97/47/29/1279974729.db2.gz HIIHERGHCIFTPG-FQEVSTJZSA-N 2 1 347.422 2.613 10 30 EFEEMP C=C(Cl)C[C@H]([NH3+])c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000872172499 1287460214 /nfs/dbraw/zinc/46/02/14/1287460214.db2.gz ADHHJQSORACNBF-AWEZNQCLSA-N 2 1 336.823 2.819 10 30 EFEEMP C=CCCc1noc(CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)n1 ZINC000872182826 1287469261 /nfs/dbraw/zinc/46/92/61/1287469261.db2.gz RPEXDVSISAQHKV-UHFFFAOYSA-N 2 1 326.444 2.724 10 30 EFEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000876736967 1290994974 /nfs/dbraw/zinc/99/49/74/1290994974.db2.gz YNKGRGYYXZIECI-IAGOWNOFSA-N 2 1 335.879 2.627 10 30 EFEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000876753147 1291006316 /nfs/dbraw/zinc/00/63/16/1291006316.db2.gz BDDVZQXDYSHPCW-XIRDDKMYSA-N 2 1 335.879 2.626 10 30 EFEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000876764053 1291010406 /nfs/dbraw/zinc/01/04/06/1291010406.db2.gz NFWYPQQVHFUJGU-FBVQUNGASA-N 2 1 347.890 2.768 10 30 EFEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000876768535 1291013361 /nfs/dbraw/zinc/01/33/61/1291013361.db2.gz XBGSGMOZKQHTHV-NONVJHHQSA-N 2 1 349.906 2.729 10 30 EFEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000876777606 1291021002 /nfs/dbraw/zinc/02/10/02/1291021002.db2.gz YFLSLTBMAGBJLV-BLLLJJGKSA-N 2 1 332.835 2.828 10 30 EFEEMP CC#CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001273606540 1292295807 /nfs/dbraw/zinc/29/58/07/1292295807.db2.gz ADXFJFUQSRRONZ-UXHICEINSA-N 2 1 347.547 2.835 10 30 EFEEMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001276333055 1292836760 /nfs/dbraw/zinc/83/67/60/1292836760.db2.gz DAPIEBYYQHTEAW-VQTJNVASSA-N 2 1 347.547 2.881 10 30 EFEEMP C=CCC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@H]1CCCO1 ZINC000883216906 1293509738 /nfs/dbraw/zinc/50/97/38/1293509738.db2.gz XTUHRNJBQLKXHH-PCCBWWKXSA-N 2 1 344.499 2.857 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001277843438 1313094547 /nfs/dbraw/zinc/09/45/47/1313094547.db2.gz CVJZTUAJSDETFW-HKUYNNGSSA-N 2 1 347.547 2.737 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001277843438 1313094552 /nfs/dbraw/zinc/09/45/52/1313094552.db2.gz CVJZTUAJSDETFW-HKUYNNGSSA-N 2 1 347.547 2.737 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001277843439 1313094606 /nfs/dbraw/zinc/09/46/06/1313094606.db2.gz CVJZTUAJSDETFW-MJGOQNOKSA-N 2 1 347.547 2.737 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001277843439 1313094610 /nfs/dbraw/zinc/09/46/10/1313094610.db2.gz CVJZTUAJSDETFW-MJGOQNOKSA-N 2 1 347.547 2.737 10 30 EFEEMP C#CCN1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000886209381 1294765368 /nfs/dbraw/zinc/76/53/68/1294765368.db2.gz LDYRLVXGLNFJIK-NHCUHLMSSA-N 2 1 337.511 2.871 10 30 EFEEMP C#CCN1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000886209381 1294765375 /nfs/dbraw/zinc/76/53/75/1294765375.db2.gz LDYRLVXGLNFJIK-NHCUHLMSSA-N 2 1 337.511 2.871 10 30 EFEEMP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001276448067 1313101210 /nfs/dbraw/zinc/10/12/10/1313101210.db2.gz UTBUVZYIEVBLJL-VQIMIIECSA-N 2 1 329.488 2.692 10 30 EFEEMP C#Cc1ccc(C[N@@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001205741197 1313348028 /nfs/dbraw/zinc/34/80/28/1313348028.db2.gz VAHVMDZOEKIZNJ-UHFFFAOYSA-N 2 1 347.506 2.918 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001489324978 1298178156 /nfs/dbraw/zinc/17/81/56/1298178156.db2.gz APMGPIDHMNNDPN-YESZJQIVSA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001489324978 1298178162 /nfs/dbraw/zinc/17/81/62/1298178162.db2.gz APMGPIDHMNNDPN-YESZJQIVSA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001489324978 1298178166 /nfs/dbraw/zinc/17/81/66/1298178166.db2.gz APMGPIDHMNNDPN-YESZJQIVSA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001489324978 1298178169 /nfs/dbraw/zinc/17/81/69/1298178169.db2.gz APMGPIDHMNNDPN-YESZJQIVSA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001489331777 1298185465 /nfs/dbraw/zinc/18/54/65/1298185465.db2.gz ZOOUYQGXJWBYNU-INIZCTEOSA-N 2 1 329.916 2.784 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001489331777 1298185472 /nfs/dbraw/zinc/18/54/72/1298185472.db2.gz ZOOUYQGXJWBYNU-INIZCTEOSA-N 2 1 329.916 2.784 10 30 EFEEMP C=CCCCCC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001490441462 1298866746 /nfs/dbraw/zinc/86/67/46/1298866746.db2.gz CZRDMQUFYQYODJ-SFHVURJKSA-N 2 1 333.520 2.942 10 30 EFEEMP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001490611568 1299037331 /nfs/dbraw/zinc/03/73/31/1299037331.db2.gz XKGKWJKWSJXMOW-ROUUACIJSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[NH+]1C ZINC001490793695 1299261779 /nfs/dbraw/zinc/26/17/79/1299261779.db2.gz JVLNQQAFGYTHIC-MKXGPGLRSA-N 2 1 333.520 2.891 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001490793695 1299261786 /nfs/dbraw/zinc/26/17/86/1299261786.db2.gz JVLNQQAFGYTHIC-MKXGPGLRSA-N 2 1 333.520 2.891 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001490793695 1299261796 /nfs/dbraw/zinc/26/17/96/1299261796.db2.gz JVLNQQAFGYTHIC-MKXGPGLRSA-N 2 1 333.520 2.891 10 30 EFEEMP C#CCN(C(=O)C[N@H+](C)C(C)C)C1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001278200238 1313780519 /nfs/dbraw/zinc/78/05/19/1313780519.db2.gz APBOGWZMYWSQLK-GOSISDBHSA-N 2 1 333.520 2.608 10 30 EFEEMP C=CCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001278337118 1314155954 /nfs/dbraw/zinc/15/59/54/1314155954.db2.gz XNLCQWAOWVBAOV-FPOVZHCZSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001278337118 1314155955 /nfs/dbraw/zinc/15/59/55/1314155955.db2.gz XNLCQWAOWVBAOV-FPOVZHCZSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001278337118 1314155957 /nfs/dbraw/zinc/15/59/57/1314155957.db2.gz XNLCQWAOWVBAOV-FPOVZHCZSA-N 2 1 347.547 2.999 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000900411436 1308140231 /nfs/dbraw/zinc/14/02/31/1308140231.db2.gz INAKOXXLOSQDSJ-UHFFFAOYSA-N 2 1 341.499 2.544 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000900439533 1308163478 /nfs/dbraw/zinc/16/34/78/1308163478.db2.gz NAHRZRQOULSRCD-MRXNPFEDSA-N 2 1 335.517 2.584 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000900529351 1308264705 /nfs/dbraw/zinc/26/47/05/1308264705.db2.gz OESMDPSGOGVAOC-UHFFFAOYSA-N 2 1 343.515 2.865 10 30 EFEEMP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001491180600 1311169332 /nfs/dbraw/zinc/16/93/32/1311169332.db2.gz UDOJTQQQXJGFQA-AZUAARDMSA-N 2 1 341.499 2.531 10 30 EFEEMP C=C(C)C[NH2+][C@@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)Cc1ccccc1 ZINC001284149791 1320237478 /nfs/dbraw/zinc/23/74/78/1320237478.db2.gz YLBJEKDWELWMAB-VQTJNVASSA-N 2 1 343.515 2.754 10 30 EFEEMP C=CCCC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001280851117 1311616441 /nfs/dbraw/zinc/61/64/41/1311616441.db2.gz YPUOHIKAXFTMMU-KRWDZBQOSA-N 2 1 332.492 2.500 10 30 EFEEMP C=CCCC[N@H+](C)CCCN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001280851117 1311616445 /nfs/dbraw/zinc/61/64/45/1311616445.db2.gz YPUOHIKAXFTMMU-KRWDZBQOSA-N 2 1 332.492 2.500 10 30 EFEEMP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001277308376 1311960550 /nfs/dbraw/zinc/96/05/50/1311960550.db2.gz ILHQSAUAUDBIRZ-MSRNWOCLSA-N 2 1 333.520 2.939 10 30 EFEEMP C=CCC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@@]1(C)CCCCO1 ZINC000902794652 1312114013 /nfs/dbraw/zinc/11/40/13/1312114013.db2.gz XPLVZRZJPLXKKS-WOJBJXKFSA-N 2 1 337.552 2.898 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001277428960 1312155196 /nfs/dbraw/zinc/15/51/96/1312155196.db2.gz GEZHGWZTAGYJEK-KRWDZBQOSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCC[NH+]1CCC[C@]2(CCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001277473898 1312400258 /nfs/dbraw/zinc/40/02/58/1312400258.db2.gz LYPSXKAVHDKYPY-FQEVSTJZSA-N 2 1 335.536 2.999 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001277473898 1312400261 /nfs/dbraw/zinc/40/02/61/1312400261.db2.gz LYPSXKAVHDKYPY-FQEVSTJZSA-N 2 1 335.536 2.999 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001277473898 1312400265 /nfs/dbraw/zinc/40/02/65/1312400265.db2.gz LYPSXKAVHDKYPY-FQEVSTJZSA-N 2 1 335.536 2.999 10 30 EFEEMP C=CCC[NH2+][C@H](CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001277586860 1312588384 /nfs/dbraw/zinc/58/83/84/1312588384.db2.gz GLXZXACVSIFAJH-APWZRJJASA-N 2 1 341.515 2.896 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001277609872 1312621423 /nfs/dbraw/zinc/62/14/23/1312621423.db2.gz IMAJHBKTHJITHK-LPHOPBHVSA-N 2 1 333.520 2.891 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](C[C@H](C)CC(C)C)C2)CC1 ZINC001278449767 1314632969 /nfs/dbraw/zinc/63/29/69/1314632969.db2.gz ILOMXLQGNXQSPL-NQIIRXRSSA-N 2 1 347.547 2.594 10 30 EFEEMP C=CCC[N@@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3C)CCC[C@@H]12 ZINC001278466962 1314686791 /nfs/dbraw/zinc/68/67/91/1314686791.db2.gz MYGRICIFJTVMJP-IEBWSBKVSA-N 2 1 330.476 2.661 10 30 EFEEMP C=CCC[N@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3C)CCC[C@@H]12 ZINC001278466962 1314686793 /nfs/dbraw/zinc/68/67/93/1314686793.db2.gz MYGRICIFJTVMJP-IEBWSBKVSA-N 2 1 330.476 2.661 10 30 EFEEMP C=CC[C@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC001252932746 1315536158 /nfs/dbraw/zinc/53/61/58/1315536158.db2.gz WJFHAKYNQWVEFB-BZSNNMDCSA-N 2 1 338.540 2.693 10 30 EFEEMP C=CC[C@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC001252932746 1315536162 /nfs/dbraw/zinc/53/61/62/1315536162.db2.gz WJFHAKYNQWVEFB-BZSNNMDCSA-N 2 1 338.540 2.693 10 30 EFEEMP C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC001252932749 1315536372 /nfs/dbraw/zinc/53/63/72/1315536372.db2.gz WJFHAKYNQWVEFB-RCCFBDPRSA-N 2 1 338.540 2.693 10 30 EFEEMP C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC001252932749 1315536377 /nfs/dbraw/zinc/53/63/77/1315536377.db2.gz WJFHAKYNQWVEFB-RCCFBDPRSA-N 2 1 338.540 2.693 10 30 EFEEMP C=CCCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001278741633 1315640660 /nfs/dbraw/zinc/64/06/60/1315640660.db2.gz QCAYNZWNIXUIFB-HNNXBMFYSA-N 2 1 343.462 2.510 10 30 EFEEMP C=CCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001278741633 1315640664 /nfs/dbraw/zinc/64/06/64/1315640664.db2.gz QCAYNZWNIXUIFB-HNNXBMFYSA-N 2 1 343.462 2.510 10 30 EFEEMP C=CCCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001278741633 1315640668 /nfs/dbraw/zinc/64/06/68/1315640668.db2.gz QCAYNZWNIXUIFB-HNNXBMFYSA-N 2 1 343.462 2.510 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001318482280 1328614035 /nfs/dbraw/zinc/61/40/35/1328614035.db2.gz GWMRZSODJKRMSI-FQEVSTJZSA-N 2 1 343.515 2.660 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001318482280 1328614038 /nfs/dbraw/zinc/61/40/38/1328614038.db2.gz GWMRZSODJKRMSI-FQEVSTJZSA-N 2 1 343.515 2.660 10 30 EFEEMP C=C(C)C[NH+]1CC[C@H](N(CC)C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001318482280 1328614041 /nfs/dbraw/zinc/61/40/41/1328614041.db2.gz GWMRZSODJKRMSI-FQEVSTJZSA-N 2 1 343.515 2.660 10 30 EFEEMP C=C(C)C[NH+]1CC[C@H](N(CC)C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001318482280 1328614045 /nfs/dbraw/zinc/61/40/45/1328614045.db2.gz GWMRZSODJKRMSI-FQEVSTJZSA-N 2 1 343.515 2.660 10 30 EFEEMP C=C[C@@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1ccccc1 ZINC001263712177 1316557722 /nfs/dbraw/zinc/55/77/22/1316557722.db2.gz XKFXAAYHQFUELA-QGZVFWFLSA-N 2 1 336.439 2.742 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2C[C@@H](C)CC(C)C)CC1 ZINC001263821008 1316566534 /nfs/dbraw/zinc/56/65/34/1316566534.db2.gz KXZKCFIQOYKKFR-ICSRJNTNSA-N 2 1 347.547 2.547 10 30 EFEEMP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001263861485 1316569648 /nfs/dbraw/zinc/56/96/48/1316569648.db2.gz CBSUWOFSGMLVRF-KZNAEPCWSA-N 2 1 333.520 2.702 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@H]1CC ZINC001264062349 1316585185 /nfs/dbraw/zinc/58/51/85/1316585185.db2.gz BJUSHZYXYOICPQ-VQTJNVASSA-N 2 1 343.515 2.706 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@H]1CC ZINC001264062349 1316585187 /nfs/dbraw/zinc/58/51/87/1316585187.db2.gz BJUSHZYXYOICPQ-VQTJNVASSA-N 2 1 343.515 2.706 10 30 EFEEMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)[C@H]1CC ZINC001264062349 1316585188 /nfs/dbraw/zinc/58/51/88/1316585188.db2.gz BJUSHZYXYOICPQ-VQTJNVASSA-N 2 1 343.515 2.706 10 30 EFEEMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)[C@H]1CC ZINC001264062349 1316585191 /nfs/dbraw/zinc/58/51/91/1316585191.db2.gz BJUSHZYXYOICPQ-VQTJNVASSA-N 2 1 343.515 2.706 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@@H]2C1 ZINC001264099449 1316589264 /nfs/dbraw/zinc/58/92/64/1316589264.db2.gz BMAPOFAHORSMQM-QRVBRYPASA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@@H]2C1 ZINC001264099449 1316589266 /nfs/dbraw/zinc/58/92/66/1316589266.db2.gz BMAPOFAHORSMQM-QRVBRYPASA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@@H]2C1 ZINC001264099449 1316589268 /nfs/dbraw/zinc/58/92/68/1316589268.db2.gz BMAPOFAHORSMQM-QRVBRYPASA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001264551217 1316630520 /nfs/dbraw/zinc/63/05/20/1316630520.db2.gz XRKRWIKVMXEASR-YDZRNGNQSA-N 2 1 335.536 2.900 10 30 EFEEMP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001264555915 1316631289 /nfs/dbraw/zinc/63/12/89/1316631289.db2.gz WXQCQUKTTGVLSR-QUCCMNQESA-N 2 1 347.547 2.881 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)[C@H]21 ZINC001264586494 1316636009 /nfs/dbraw/zinc/63/60/09/1316636009.db2.gz QHSRPEVKMJXHOB-NEWSRXKRSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3C)C(C)(C)[C@@H]21 ZINC001264587061 1316637039 /nfs/dbraw/zinc/63/70/39/1316637039.db2.gz XLCMEORDBDMDEQ-BHIYHBOVSA-N 2 1 344.503 2.763 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3C)C(C)(C)[C@@H]21 ZINC001264587061 1316637043 /nfs/dbraw/zinc/63/70/43/1316637043.db2.gz XLCMEORDBDMDEQ-BHIYHBOVSA-N 2 1 344.503 2.763 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001264592635 1316638220 /nfs/dbraw/zinc/63/82/20/1316638220.db2.gz NXNRHTMUCRYYCF-VAMGGRTRSA-N 2 1 343.515 2.877 10 30 EFEEMP C=CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001264596489 1316639913 /nfs/dbraw/zinc/63/99/13/1316639913.db2.gz XMTQAMJPEUXAEF-RTBURBONSA-N 2 1 347.478 2.628 10 30 EFEEMP C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001264596489 1316639916 /nfs/dbraw/zinc/63/99/16/1316639916.db2.gz XMTQAMJPEUXAEF-RTBURBONSA-N 2 1 347.478 2.628 10 30 EFEEMP C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001264596489 1316639918 /nfs/dbraw/zinc/63/99/18/1316639918.db2.gz XMTQAMJPEUXAEF-RTBURBONSA-N 2 1 347.478 2.628 10 30 EFEEMP C=CCCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001281086494 1316672012 /nfs/dbraw/zinc/67/20/12/1316672012.db2.gz DKTQLFOHIFUIIU-QUCCMNQESA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001281086494 1316672013 /nfs/dbraw/zinc/67/20/13/1316672013.db2.gz DKTQLFOHIFUIIU-QUCCMNQESA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001281086494 1316672015 /nfs/dbraw/zinc/67/20/15/1316672015.db2.gz DKTQLFOHIFUIIU-QUCCMNQESA-N 2 1 333.520 2.751 10 30 EFEEMP C#CCC[NH+]1CCC(N(CCC)C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001265338842 1316785413 /nfs/dbraw/zinc/78/54/13/1316785413.db2.gz NDLBIQPXZVVRTM-GOSISDBHSA-N 2 1 333.520 2.587 10 30 EFEEMP CC#CC[NH+]1CCC(N(CCC)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001265341657 1316786473 /nfs/dbraw/zinc/78/64/73/1316786473.db2.gz WEHDTDAMYFBWGU-UHFFFAOYSA-N 2 1 344.503 2.733 10 30 EFEEMP C=CCCC[NH+]1CCC(N(CCC)C(=O)Cn2cc[nH+]c2C)CC1 ZINC001265344020 1316786591 /nfs/dbraw/zinc/78/65/91/1316786591.db2.gz QUZIIICQJWTOAI-UHFFFAOYSA-N 2 1 332.492 2.861 10 30 EFEEMP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001265390325 1316795167 /nfs/dbraw/zinc/79/51/67/1316795167.db2.gz CCPHQBAISMFLLD-SFHVURJKSA-N 2 1 347.547 2.833 10 30 EFEEMP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001265390325 1316795169 /nfs/dbraw/zinc/79/51/69/1316795169.db2.gz CCPHQBAISMFLLD-SFHVURJKSA-N 2 1 347.547 2.833 10 30 EFEEMP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001265390325 1316795170 /nfs/dbraw/zinc/79/51/70/1316795170.db2.gz CCPHQBAISMFLLD-SFHVURJKSA-N 2 1 347.547 2.833 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001265394524 1316797911 /nfs/dbraw/zinc/79/79/11/1316797911.db2.gz DCXDODUQQYBGRZ-QZTJIDSGSA-N 2 1 335.536 2.853 10 30 EFEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001265399322 1316799704 /nfs/dbraw/zinc/79/97/04/1316799704.db2.gz UHUWFTAZDXDEGC-PMACEKPBSA-N 2 1 347.547 2.691 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001265502933 1316814169 /nfs/dbraw/zinc/81/41/69/1316814169.db2.gz CVTAKLYJNTWFIB-FHWLQOOXSA-N 2 1 329.488 2.882 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001265624100 1316837423 /nfs/dbraw/zinc/83/74/23/1316837423.db2.gz LAZURKDHIRBVTM-APWZRJJASA-N 2 1 339.499 2.603 10 30 EFEEMP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001265692117 1316855633 /nfs/dbraw/zinc/85/56/33/1316855633.db2.gz YOASSUBWHBGPPG-RBUKOAKNSA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(C)CC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CCCC1 ZINC001318665441 1328663846 /nfs/dbraw/zinc/66/38/46/1328663846.db2.gz ZKPPDAJNRLYROJ-ROUUACIJSA-N 2 1 333.520 2.988 10 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ZINC001279262205 1317219974 /nfs/dbraw/zinc/21/99/74/1317219974.db2.gz LPVZKBDEBUKTMN-BJLQDIEVSA-N 2 1 345.531 2.539 10 30 EFEEMP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001279262845 1317221329 /nfs/dbraw/zinc/22/13/29/1317221329.db2.gz VFKUJARWBUBAJB-VAMGGRTRSA-N 2 1 347.547 2.642 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001279282174 1317225603 /nfs/dbraw/zinc/22/56/03/1317225603.db2.gz VMTJHLQZQAYHKN-GUDVDZBRSA-N 2 1 335.536 2.807 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001279566255 1317301719 /nfs/dbraw/zinc/30/17/19/1317301719.db2.gz OWLVLAZPUIWEFV-RBUKOAKNSA-N 2 1 345.531 2.894 10 30 EFEEMP C=CCC[NH2+][C@H](C)c1ccc(CNC(=O)Cn2c[nH+]cc2C)cc1 ZINC001280351567 1317517075 /nfs/dbraw/zinc/51/70/75/1317517075.db2.gz ZHOMHKIXVWWDAR-MRXNPFEDSA-N 2 1 326.444 2.735 10 30 EFEEMP C=C(C)CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001318805859 1328707356 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CC#CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001281834409 1318597867 /nfs/dbraw/zinc/59/78/67/1318597867.db2.gz YBWMZZCFCHMIQG-UXHICEINSA-N 2 1 345.531 2.587 10 30 EFEEMP CC#CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001281834407 1318599345 /nfs/dbraw/zinc/59/93/45/1318599345.db2.gz YBWMZZCFCHMIQG-PMACEKPBSA-N 2 1 345.531 2.587 10 30 EFEEMP CC#CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001281834407 1318599349 /nfs/dbraw/zinc/59/93/49/1318599349.db2.gz YBWMZZCFCHMIQG-PMACEKPBSA-N 2 1 345.531 2.587 10 30 EFEEMP CC#CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001281834407 1318599353 /nfs/dbraw/zinc/59/93/53/1318599353.db2.gz YBWMZZCFCHMIQG-PMACEKPBSA-N 2 1 345.531 2.587 10 30 EFEEMP C=CC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001281839699 1318599838 /nfs/dbraw/zinc/59/98/38/1318599838.db2.gz BQYQWOKQXODCRT-RTBURBONSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001281839699 1318599846 /nfs/dbraw/zinc/59/98/46/1318599846.db2.gz BQYQWOKQXODCRT-RTBURBONSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001281839699 1318599862 /nfs/dbraw/zinc/59/98/62/1318599862.db2.gz BQYQWOKQXODCRT-RTBURBONSA-N 2 1 333.520 2.750 10 30 EFEEMP C#CCC[N@@H+](CC)CC1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001281840977 1318601142 /nfs/dbraw/zinc/60/11/42/1318601142.db2.gz UJYHPZNTRZYSIT-UHFFFAOYSA-N 2 1 344.503 2.556 10 30 EFEEMP C#CCC[N@H+](CC)CC1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001281840977 1318601146 /nfs/dbraw/zinc/60/11/46/1318601146.db2.gz UJYHPZNTRZYSIT-UHFFFAOYSA-N 2 1 344.503 2.556 10 30 EFEEMP C=CC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001281839697 1318601235 /nfs/dbraw/zinc/60/12/35/1318601235.db2.gz BQYQWOKQXODCRT-RBUKOAKNSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001281839697 1318601246 /nfs/dbraw/zinc/60/12/46/1318601246.db2.gz BQYQWOKQXODCRT-RBUKOAKNSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001281839697 1318601250 /nfs/dbraw/zinc/60/12/50/1318601250.db2.gz BQYQWOKQXODCRT-RBUKOAKNSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](CC)CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001281844905 1318602392 /nfs/dbraw/zinc/60/23/92/1318602392.db2.gz GIQJDYCMGVXSIK-SFHVURJKSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001281904972 1318619290 /nfs/dbraw/zinc/61/92/90/1318619290.db2.gz CMVDBUROQLMVOO-HSALFYBXSA-N 2 1 341.499 2.809 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001281912807 1318623568 /nfs/dbraw/zinc/62/35/68/1318623568.db2.gz QEBQOKWZBSLXMN-OZOXKJRCSA-N 2 1 341.499 2.666 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001281975171 1318642775 /nfs/dbraw/zinc/64/27/75/1318642775.db2.gz LFZNIDOLGSUZIK-OALUTQOASA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001281975851 1318643115 /nfs/dbraw/zinc/64/31/15/1318643115.db2.gz QVQRIWMOEMCQRE-RTBURBONSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001319113546 1328781986 /nfs/dbraw/zinc/78/19/86/1328781986.db2.gz KBDAYYXTLNPQDH-IAGOWNOFSA-N 2 1 332.492 2.942 10 30 EFEEMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001282303225 1318832433 /nfs/dbraw/zinc/83/24/33/1318832433.db2.gz RCAMQSNPHAOYPU-UHFFFAOYSA-N 2 1 335.536 2.739 10 30 EFEEMP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001282674493 1319065010 /nfs/dbraw/zinc/06/50/10/1319065010.db2.gz FHKYGWGEHWGSEY-LPHOPBHVSA-N 2 1 339.499 2.746 10 30 EFEEMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001282674493 1319065019 /nfs/dbraw/zinc/06/50/19/1319065019.db2.gz FHKYGWGEHWGSEY-LPHOPBHVSA-N 2 1 339.499 2.746 10 30 EFEEMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 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329.488 2.665 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001317205592 1327739264 /nfs/dbraw/zinc/73/92/64/1327739264.db2.gz QBDKAKBOWYHFTL-IAGOWNOFSA-N 2 1 332.492 2.799 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001317205592 1327739270 /nfs/dbraw/zinc/73/92/70/1327739270.db2.gz QBDKAKBOWYHFTL-IAGOWNOFSA-N 2 1 332.492 2.799 10 30 EFEEMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001317321035 1327850267 /nfs/dbraw/zinc/85/02/67/1327850267.db2.gz CDVSKFWNTVKQNM-IEBWSBKVSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001317382064 1327937119 /nfs/dbraw/zinc/93/71/19/1327937119.db2.gz UIKVDLFKGDPIIQ-GOSISDBHSA-N 2 1 332.492 2.861 10 30 EFEEMP C=CCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001317382064 1327937122 /nfs/dbraw/zinc/93/71/22/1327937122.db2.gz UIKVDLFKGDPIIQ-GOSISDBHSA-N 2 1 332.492 2.861 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H](N(CCC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001317762742 1328361878 /nfs/dbraw/zinc/36/18/78/1328361878.db2.gz CEIANRTVSVSEDU-PKOBYXMFSA-N 2 1 335.536 2.996 10 30 EFEEMP CC#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001317766585 1328363809 /nfs/dbraw/zinc/36/38/09/1328363809.db2.gz FOELNDBZUUBOKF-HXUWFJFHSA-N 2 1 341.499 2.698 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001317796813 1328385539 /nfs/dbraw/zinc/38/55/39/1328385539.db2.gz GIFZMYILPLCFQX-ZWKOTPCHSA-N 2 1 344.503 2.548 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001317796813 1328385549 /nfs/dbraw/zinc/38/55/49/1328385549.db2.gz GIFZMYILPLCFQX-ZWKOTPCHSA-N 2 1 344.503 2.548 10 30 EFEEMP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001317842715 1328412134 /nfs/dbraw/zinc/41/21/34/1328412134.db2.gz XTRHDNIBZXXXGN-QGZVFWFLSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001317842715 1328412140 /nfs/dbraw/zinc/41/21/40/1328412140.db2.gz XTRHDNIBZXXXGN-QGZVFWFLSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001317842715 1328412144 /nfs/dbraw/zinc/41/21/44/1328412144.db2.gz XTRHDNIBZXXXGN-QGZVFWFLSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CC(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001318175625 1328511853 /nfs/dbraw/zinc/51/18/53/1328511853.db2.gz CKNGLNWNMCWNFU-LPHOPBHVSA-N 2 1 329.488 2.692 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CC(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001318175626 1328512221 /nfs/dbraw/zinc/51/22/21/1328512221.db2.gz CKNGLNWNMCWNFU-QFBILLFUSA-N 2 1 329.488 2.692 10 30 EFEEMP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001323540451 1329550366 /nfs/dbraw/zinc/55/03/66/1329550366.db2.gz CUHBCNZVAGSJHP-HNAYVOBHSA-N 2 1 339.499 2.792 10 30 EFEEMP CC#CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001323645071 1329558499 /nfs/dbraw/zinc/55/84/99/1329558499.db2.gz XKGPNNDGGODQCH-VQTJNVASSA-N 2 1 345.531 2.589 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)C[NH+](CC)CC ZINC001323685585 1329561318 /nfs/dbraw/zinc/56/13/18/1329561318.db2.gz ZMBZDDCKEWEHNF-SQNIBIBYSA-N 2 1 339.499 2.698 10 30 EFEEMP C#CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CCCCCC1 ZINC001323707919 1329563643 /nfs/dbraw/zinc/56/36/43/1329563643.db2.gz AOCRYNSIDRTVEP-LJQANCHMSA-N 2 1 333.520 2.633 10 30 EFEEMP C#CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)C1CCCCCC1 ZINC001323707919 1329563644 /nfs/dbraw/zinc/56/36/44/1329563644.db2.gz AOCRYNSIDRTVEP-LJQANCHMSA-N 2 1 333.520 2.633 10 30 EFEEMP C#CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)C1CCCCCC1 ZINC001323707919 1329563645 /nfs/dbraw/zinc/56/36/45/1329563645.db2.gz AOCRYNSIDRTVEP-LJQANCHMSA-N 2 1 333.520 2.633 10 30 EFEEMP C=CCCC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001323832284 1329576444 /nfs/dbraw/zinc/57/64/44/1329576444.db2.gz MYVVMKFWFZPDBA-GOSISDBHSA-N 2 1 333.520 2.609 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001324225024 1329609266 /nfs/dbraw/zinc/60/92/66/1329609266.db2.gz GJLOJCGDTJWESY-QFBILLFUSA-N 2 1 339.499 2.746 10 30 EFEEMP C#CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC[NH+](CCCCC)CC1 ZINC001324387337 1329622920 /nfs/dbraw/zinc/62/29/20/1329622920.db2.gz SWNPAFREFIRPRM-HXUWFJFHSA-N 2 1 347.547 2.976 10 30 EFEEMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC[NH+](CC=C(C)C)CC1 ZINC001324396905 1329623680 /nfs/dbraw/zinc/62/36/80/1329623680.db2.gz JWVVHADFSJCEHO-VQTJNVASSA-N 2 1 345.531 2.609 10 30 EFEEMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC[NH+](CCCC=C)CC1 ZINC001324414366 1329624852 /nfs/dbraw/zinc/62/48/52/1329624852.db2.gz WSYDDTVKAWDFCY-OALUTQOASA-N 2 1 345.531 2.609 10 30 EFEEMP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C1CCCC1 ZINC001324495465 1329633038 /nfs/dbraw/zinc/63/30/38/1329633038.db2.gz NSTOWNSFKQJVQZ-PKOBYXMFSA-N 2 1 344.503 2.595 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001324558176 1329639565 /nfs/dbraw/zinc/63/95/65/1329639565.db2.gz YRGHVEIGYYOQAO-HXUWFJFHSA-N 2 1 335.536 2.999 10 30 EFEEMP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001324776412 1329657814 /nfs/dbraw/zinc/65/78/14/1329657814.db2.gz PHSUIJBOMAJPKY-PXNSSMCTSA-N 2 1 344.503 2.548 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@@H+](CC(CC)CC)C1 ZINC001324943722 1329661600 /nfs/dbraw/zinc/66/16/00/1329661600.db2.gz LBMICXFIECMHNH-FPOVZHCZSA-N 2 1 347.547 2.739 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@H+](CC(CC)CC)C1 ZINC001324943722 1329661601 /nfs/dbraw/zinc/66/16/01/1329661601.db2.gz LBMICXFIECMHNH-FPOVZHCZSA-N 2 1 347.547 2.739 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](CC(CC)CC)C1 ZINC001324943722 1329661603 /nfs/dbraw/zinc/66/16/03/1329661603.db2.gz LBMICXFIECMHNH-FPOVZHCZSA-N 2 1 347.547 2.739 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](CC(CC)CC)C1 ZINC001324943722 1329661604 /nfs/dbraw/zinc/66/16/04/1329661604.db2.gz LBMICXFIECMHNH-FPOVZHCZSA-N 2 1 347.547 2.739 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NC[C@]2(C)CCC[N@H+](CCC(=C)C)C2)CC1 ZINC001324976554 1329664821 /nfs/dbraw/zinc/66/48/21/1329664821.db2.gz MRAJQYBMCDEJJS-NRFANRHFSA-N 2 1 345.531 2.516 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001325561421 1329697243 /nfs/dbraw/zinc/69/72/43/1329697243.db2.gz KDSJKPSFRRGVLL-SJORKVTESA-N 2 1 332.492 2.657 10 30 EFEEMP C=CCCCCC[NH+]1C[C@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001325740864 1329709829 /nfs/dbraw/zinc/70/98/29/1329709829.db2.gz PWKDNAWFAUSSBR-ZCNNSNEGSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001325740864 1329709830 /nfs/dbraw/zinc/70/98/30/1329709830.db2.gz PWKDNAWFAUSSBR-ZCNNSNEGSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001325740864 1329709831 /nfs/dbraw/zinc/70/98/31/1329709831.db2.gz PWKDNAWFAUSSBR-ZCNNSNEGSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001325941916 1329726353 /nfs/dbraw/zinc/72/63/53/1329726353.db2.gz BETFOLNKVPDRBJ-RCCFBDPRSA-N 2 1 339.499 2.555 10 30 EFEEMP C=CCC[NH2+][C@@H](C)c1ccc(CNC(=O)C[N@H+]2CC[C@H](C)C2)cc1 ZINC001326482512 1329759941 /nfs/dbraw/zinc/75/99/41/1329759941.db2.gz XJYSZCZMVWQUDU-IRXDYDNUSA-N 2 1 329.488 2.871 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)CC(C)(C)C)CCC[C@H]12 ZINC001382313871 1348861352 /nfs/dbraw/zinc/86/13/52/1348861352.db2.gz BCTCPYPPWXYARD-YJBOKZPZSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@@]2(NC(=O)C[N@H+](C)CC(C)(C)C)CCC[C@H]12 ZINC001382313871 1348861361 /nfs/dbraw/zinc/86/13/61/1348861361.db2.gz BCTCPYPPWXYARD-YJBOKZPZSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)CC(C)(C)C)CCC[C@H]12 ZINC001382313871 1348861366 /nfs/dbraw/zinc/86/13/66/1348861366.db2.gz BCTCPYPPWXYARD-YJBOKZPZSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)C[NH+](C)CC(C)(C)C)CCC[C@H]12 ZINC001382313871 1348861370 /nfs/dbraw/zinc/86/13/70/1348861370.db2.gz BCTCPYPPWXYARD-YJBOKZPZSA-N 2 1 341.927 2.830 10 30 EFEEMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001326555774 1330317274 /nfs/dbraw/zinc/31/72/74/1330317274.db2.gz ZXWOLUQGRGONMH-IHPCNDPISA-N 2 1 341.499 2.577 10 30 EFEEMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCC1 ZINC001326821257 1330369062 /nfs/dbraw/zinc/36/90/62/1330369062.db2.gz BHTYELCXKPPASP-KRWDZBQOSA-N 2 1 333.520 2.846 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCC2CCCC2)CCC1 ZINC001326834185 1330370928 /nfs/dbraw/zinc/37/09/28/1330370928.db2.gz GZFWQSLFEIASOX-IBGZPJMESA-N 2 1 345.531 2.683 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCC2CCCC2)CCC1 ZINC001326834185 1330370931 /nfs/dbraw/zinc/37/09/31/1330370931.db2.gz GZFWQSLFEIASOX-IBGZPJMESA-N 2 1 345.531 2.683 10 30 EFEEMP C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CC2CC2)CC1 ZINC001327299365 1330454272 /nfs/dbraw/zinc/45/42/72/1330454272.db2.gz NGVJIRKUPACCFL-KDURUIRLSA-N 2 1 331.504 2.502 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001327300055 1330454977 /nfs/dbraw/zinc/45/49/77/1330454977.db2.gz SMSBEWPIYXMDCF-RTBURBONSA-N 2 1 335.536 2.855 10 30 EFEEMP C#CC[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001327307452 1330457140 /nfs/dbraw/zinc/45/71/40/1330457140.db2.gz CZEGYZNBAWEKPW-RBUKOAKNSA-N 2 1 347.547 2.691 10 30 EFEEMP C#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001327468708 1330483212 /nfs/dbraw/zinc/48/32/12/1330483212.db2.gz XNBPVZXCRTVBIK-LJQANCHMSA-N 2 1 345.531 2.778 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001327528880 1330495665 /nfs/dbraw/zinc/49/56/65/1330495665.db2.gz DCPSXJFHGLYSDB-PXNSSMCTSA-N 2 1 344.503 2.861 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001327528880 1330495666 /nfs/dbraw/zinc/49/56/66/1330495666.db2.gz DCPSXJFHGLYSDB-PXNSSMCTSA-N 2 1 344.503 2.861 10 30 EFEEMP C=CC[N@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001328082704 1330552713 /nfs/dbraw/zinc/55/27/13/1330552713.db2.gz PNZJLBPDWLYNGZ-CVEARBPZSA-N 2 1 332.492 2.799 10 30 EFEEMP C=CC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001328082704 1330552716 /nfs/dbraw/zinc/55/27/16/1330552716.db2.gz PNZJLBPDWLYNGZ-CVEARBPZSA-N 2 1 332.492 2.799 10 30 EFEEMP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001328586427 1330604994 /nfs/dbraw/zinc/60/49/94/1330604994.db2.gz BNPQEUJCSYTIIC-UHFFFAOYSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001328686282 1330615708 /nfs/dbraw/zinc/61/57/08/1330615708.db2.gz FFQASDRWKOLIDA-HSALFYBXSA-N 2 1 341.499 2.809 10 30 EFEEMP C=CCCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001328811324 1330636546 /nfs/dbraw/zinc/63/65/46/1330636546.db2.gz ALJBACYVCTZXNB-UXHICEINSA-N 2 1 347.547 2.855 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001328811324 1330636550 /nfs/dbraw/zinc/63/65/50/1330636550.db2.gz ALJBACYVCTZXNB-UXHICEINSA-N 2 1 347.547 2.855 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001328811324 1330636554 /nfs/dbraw/zinc/63/65/54/1330636554.db2.gz ALJBACYVCTZXNB-UXHICEINSA-N 2 1 347.547 2.855 10 30 EFEEMP C=CCCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001328811326 1330637024 /nfs/dbraw/zinc/63/70/24/1330637024.db2.gz ALJBACYVCTZXNB-WOJBJXKFSA-N 2 1 347.547 2.855 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001328811326 1330637026 /nfs/dbraw/zinc/63/70/26/1330637026.db2.gz ALJBACYVCTZXNB-WOJBJXKFSA-N 2 1 347.547 2.855 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001328811326 1330637028 /nfs/dbraw/zinc/63/70/28/1330637028.db2.gz ALJBACYVCTZXNB-WOJBJXKFSA-N 2 1 347.547 2.855 10 30 EFEEMP C=CCC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC001329762115 1330734638 /nfs/dbraw/zinc/73/46/38/1330734638.db2.gz UXZXGAZLADNXCM-MJGOQNOKSA-N 2 1 346.519 2.793 10 30 EFEEMP C=CCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001329923460 1330752098 /nfs/dbraw/zinc/75/20/98/1330752098.db2.gz LKNHKVWIEZPSDT-OALUTQOASA-N 2 1 333.520 2.655 10 30 EFEEMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001329935519 1330752975 /nfs/dbraw/zinc/75/29/75/1330752975.db2.gz DJMNGAYEZNNPTA-UXHICEINSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001329935519 1330752977 /nfs/dbraw/zinc/75/29/77/1330752977.db2.gz DJMNGAYEZNNPTA-UXHICEINSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001329935519 1330752980 /nfs/dbraw/zinc/75/29/80/1330752980.db2.gz DJMNGAYEZNNPTA-UXHICEINSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001329935519 1330752984 /nfs/dbraw/zinc/75/29/84/1330752984.db2.gz DJMNGAYEZNNPTA-UXHICEINSA-N 2 1 341.499 2.673 10 30 EFEEMP C=CCCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001330513878 1330763862 /nfs/dbraw/zinc/76/38/62/1330763862.db2.gz FKRFHIBZRBMJRT-SFHVURJKSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001330513878 1330763866 /nfs/dbraw/zinc/76/38/66/1330763866.db2.gz FKRFHIBZRBMJRT-SFHVURJKSA-N 2 1 333.520 2.751 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001330657637 1330764340 /nfs/dbraw/zinc/76/43/40/1330764340.db2.gz ZWMHZIQSBFCPCL-BXWFABGCSA-N 2 1 339.499 2.650 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001331038486 1330786859 /nfs/dbraw/zinc/78/68/59/1330786859.db2.gz HHJMNBWLNSMHOO-BZSNNMDCSA-N 2 1 335.536 2.994 10 30 EFEEMP C=CCC[C@H](C)[NH+](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001331038486 1330786862 /nfs/dbraw/zinc/78/68/62/1330786862.db2.gz HHJMNBWLNSMHOO-BZSNNMDCSA-N 2 1 335.536 2.994 10 30 EFEEMP C=CCC[C@H](C)[NH+](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001331038486 1330786864 /nfs/dbraw/zinc/78/68/64/1330786864.db2.gz HHJMNBWLNSMHOO-BZSNNMDCSA-N 2 1 335.536 2.994 10 30 EFEEMP C=CCCC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001331039342 1330787274 /nfs/dbraw/zinc/78/72/74/1330787274.db2.gz PWCZEPSKLPMVPX-SFHVURJKSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001331039342 1330787278 /nfs/dbraw/zinc/78/72/78/1330787278.db2.gz PWCZEPSKLPMVPX-SFHVURJKSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001331039342 1330787281 /nfs/dbraw/zinc/78/72/81/1330787281.db2.gz PWCZEPSKLPMVPX-SFHVURJKSA-N 2 1 335.536 2.997 10 30 EFEEMP C#CCC[N@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CCCCC3)CCC[C@@H]12 ZINC001332099851 1330918986 /nfs/dbraw/zinc/91/89/86/1330918986.db2.gz LAWVYCMESNZVLI-WIYYLYMNSA-N 2 1 345.531 2.635 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@H]12 ZINC001332110372 1330921281 /nfs/dbraw/zinc/92/12/81/1330921281.db2.gz JGHFSKRGUKZHGB-RXVVDRJESA-N 2 1 345.531 2.942 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001332110371 1330921509 /nfs/dbraw/zinc/92/15/09/1330921509.db2.gz JGHFSKRGUKZHGB-NQIIRXRSSA-N 2 1 345.531 2.942 10 30 EFEEMP C=CCCC[N@@H+](C)CCN(C(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001332722571 1331009348 /nfs/dbraw/zinc/00/93/48/1331009348.db2.gz IDXAJDYZGXPTQA-SFHVURJKSA-N 2 1 346.519 2.889 10 30 EFEEMP C=CCCC[N@H+](C)CCN(C(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001332722571 1331009349 /nfs/dbraw/zinc/00/93/49/1331009349.db2.gz IDXAJDYZGXPTQA-SFHVURJKSA-N 2 1 346.519 2.889 10 30 EFEEMP C=CCCC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001333363165 1331125242 /nfs/dbraw/zinc/12/52/42/1331125242.db2.gz AAJYFHIKYYUCSS-RBUKOAKNSA-N 2 1 331.504 2.718 10 30 EFEEMP C=CCCC[NH+]1CC=C(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001333363165 1331125247 /nfs/dbraw/zinc/12/52/47/1331125247.db2.gz AAJYFHIKYYUCSS-RBUKOAKNSA-N 2 1 331.504 2.718 10 30 EFEEMP C=CCCC[NH+]1CC=C(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001333363165 1331125249 /nfs/dbraw/zinc/12/52/49/1331125249.db2.gz AAJYFHIKYYUCSS-RBUKOAKNSA-N 2 1 331.504 2.718 10 30 EFEEMP C=CCCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001333433448 1331143071 /nfs/dbraw/zinc/14/30/71/1331143071.db2.gz PFDFQVTYITVUJQ-RBUKOAKNSA-N 2 1 333.520 2.821 10 30 EFEEMP C[NH+](C)CCOc1cccc(-c2noc([C@H]([NH3+])CCCCC#N)n2)c1 ZINC000848622093 1334815288 /nfs/dbraw/zinc/81/52/88/1334815288.db2.gz RKWDHGPUKLPPDL-MRXNPFEDSA-N 2 1 343.431 2.761 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001366469329 1337612787 /nfs/dbraw/zinc/61/27/87/1337612787.db2.gz GAXQCWWQBFKWKR-GOEBONIOSA-N 2 1 327.900 2.630 10 30 EFEEMP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001480741830 1337970324 /nfs/dbraw/zinc/97/03/24/1337970324.db2.gz BNJDAMVAZHKERZ-MOPGFXCFSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001370313519 1340029013 /nfs/dbraw/zinc/02/90/13/1340029013.db2.gz YLPXIOOITSQSOD-INIZCTEOSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001370313525 1340029054 /nfs/dbraw/zinc/02/90/54/1340029054.db2.gz YLPXIOOITSQSOD-MRXNPFEDSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001375227149 1342530084 /nfs/dbraw/zinc/53/00/84/1342530084.db2.gz ARZLOXOCXRHLRK-IAGOWNOFSA-N 2 1 339.911 2.630 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001375227155 1342530412 /nfs/dbraw/zinc/53/04/12/1342530412.db2.gz ARZLOXOCXRHLRK-SJORKVTESA-N 2 1 339.911 2.630 10 30 EFEEMP C=C(Cl)C[NH2+]C1(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001375435226 1342739404 /nfs/dbraw/zinc/73/94/04/1342739404.db2.gz HYBNRRTVWKNVML-UHFFFAOYSA-N 2 1 327.900 2.630 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001375746416 1342972189 /nfs/dbraw/zinc/97/21/89/1342972189.db2.gz DKALDNFMCGCPPR-LSDHHAIUSA-N 2 1 338.883 2.730 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001376565874 1343682877 /nfs/dbraw/zinc/68/28/77/1343682877.db2.gz GREIHCRPRIOTEJ-AEFFLSMTSA-N 2 1 349.906 2.870 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001377030903 1344077039 /nfs/dbraw/zinc/07/70/39/1344077039.db2.gz JEXWSWXYOBYMBJ-IRXDYDNUSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001377774409 1344423039 /nfs/dbraw/zinc/42/30/39/1344423039.db2.gz XOCSCDBOXJYJTB-JKSUJKDBSA-N 2 1 329.916 2.640 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001380443568 1347675031 /nfs/dbraw/zinc/67/50/31/1347675031.db2.gz QEVNNAUHPGXIFF-HKUYNNGSSA-N 2 1 349.906 2.870 10 30 EFEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C[NH2+]Cc1ccccc1C#N)C(C)(C)C ZINC001382541962 1349007795 /nfs/dbraw/zinc/00/77/95/1349007795.db2.gz SDGBXOQWIDLDFZ-SFHVURJKSA-N 2 1 344.503 2.519 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC001394194870 1357576228 /nfs/dbraw/zinc/57/62/28/1357576228.db2.gz XUPQLAHJNKPELM-ULQDDVLXSA-N 2 1 343.943 2.932 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)C1 ZINC001392962544 1356469347 /nfs/dbraw/zinc/46/93/47/1356469347.db2.gz OLKAOHLPJFSXNV-IAGOWNOFSA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001392962544 1356469350 /nfs/dbraw/zinc/46/93/50/1356469350.db2.gz OLKAOHLPJFSXNV-IAGOWNOFSA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001392962544 1356469352 /nfs/dbraw/zinc/46/93/52/1356469352.db2.gz OLKAOHLPJFSXNV-IAGOWNOFSA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001440731452 1389852809 /nfs/dbraw/zinc/85/28/09/1389852809.db2.gz JRNDZKDZRDNNEH-JKSUJKDBSA-N 2 1 327.900 2.535 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001440731452 1389852814 /nfs/dbraw/zinc/85/28/14/1389852814.db2.gz JRNDZKDZRDNNEH-JKSUJKDBSA-N 2 1 327.900 2.535 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001397734658 1360089065 /nfs/dbraw/zinc/08/90/65/1360089065.db2.gz MJKMAMALAKZOFY-LSDHHAIUSA-N 2 1 338.883 2.634 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001398703792 1360731376 /nfs/dbraw/zinc/73/13/76/1360731376.db2.gz WDZZKWFYFRMCNA-HOTGVXAUSA-N 2 1 329.916 2.688 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001398703792 1360731380 /nfs/dbraw/zinc/73/13/80/1360731380.db2.gz WDZZKWFYFRMCNA-HOTGVXAUSA-N 2 1 329.916 2.688 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001398752275 1360762808 /nfs/dbraw/zinc/76/28/08/1360762808.db2.gz BXHFPCSMKYUQAC-SJORKVTESA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001401179668 1362514076 /nfs/dbraw/zinc/51/40/76/1362514076.db2.gz JGUCPQQOHZNAHC-HNNXBMFYSA-N 2 1 327.900 2.632 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001401249853 1362589664 /nfs/dbraw/zinc/58/96/64/1362589664.db2.gz BZCHGVSLJZCSLB-RDJZCZTQSA-N 2 1 337.895 2.868 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001437371400 1387586602 /nfs/dbraw/zinc/58/66/02/1387586602.db2.gz KJVISRAGOQQZRU-HZPDHXFCSA-N 2 1 341.927 2.878 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+](C)C(C)C)C2 ZINC001402105321 1363412944 /nfs/dbraw/zinc/41/29/44/1363412944.db2.gz IXTNPJDRBDHYSL-SFHVURJKSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001402105321 1363412948 /nfs/dbraw/zinc/41/29/48/1363412948.db2.gz IXTNPJDRBDHYSL-SFHVURJKSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001402105321 1363412950 /nfs/dbraw/zinc/41/29/50/1363412950.db2.gz IXTNPJDRBDHYSL-SFHVURJKSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001402319007 1363603446 /nfs/dbraw/zinc/60/34/46/1363603446.db2.gz UGIBUQFAVFANNM-SJORKVTESA-N 2 1 339.911 2.630 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001402318997 1363603600 /nfs/dbraw/zinc/60/36/00/1363603600.db2.gz UGIBUQFAVFANNM-IAGOWNOFSA-N 2 1 339.911 2.630 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)CCC ZINC001402476972 1363720967 /nfs/dbraw/zinc/72/09/67/1363720967.db2.gz NZUJPTFOSWRACX-JKSUJKDBSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[N@H+](C)CCC ZINC001402476972 1363720973 /nfs/dbraw/zinc/72/09/73/1363720973.db2.gz NZUJPTFOSWRACX-JKSUJKDBSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)CCC ZINC001402476972 1363720978 /nfs/dbraw/zinc/72/09/78/1363720978.db2.gz NZUJPTFOSWRACX-JKSUJKDBSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)CCC ZINC001402476972 1363720983 /nfs/dbraw/zinc/72/09/83/1363720983.db2.gz NZUJPTFOSWRACX-JKSUJKDBSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001402950224 1364156892 /nfs/dbraw/zinc/15/68/92/1364156892.db2.gz YMBSMAKWJDEHHY-IRXDYDNUSA-N 2 1 341.927 2.640 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001402950224 1364156895 /nfs/dbraw/zinc/15/68/95/1364156895.db2.gz YMBSMAKWJDEHHY-IRXDYDNUSA-N 2 1 341.927 2.640 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001402950224 1364156899 /nfs/dbraw/zinc/15/68/99/1364156899.db2.gz YMBSMAKWJDEHHY-IRXDYDNUSA-N 2 1 341.927 2.640 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001403240963 1364452815 /nfs/dbraw/zinc/45/28/15/1364452815.db2.gz BUQIQABBSNTELZ-WMZOPIPTSA-N 2 1 349.906 2.870 10 30 EFEEMP C=C(Cl)C[NH+]1C[C@@H]2CC[C@@H](NC(=O)CC[N@H+](C)CCC)C[C@@H]2C1 ZINC001403428401 1364632258 /nfs/dbraw/zinc/63/22/58/1364632258.db2.gz ZHBRANSUKWUXNG-GVDBMIGSSA-N 2 1 341.927 2.688 10 30 EFEEMP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)CCC)C[C@@H]2C1 ZINC001403428401 1364632261 /nfs/dbraw/zinc/63/22/61/1364632261.db2.gz ZHBRANSUKWUXNG-GVDBMIGSSA-N 2 1 341.927 2.688 10 30 EFEEMP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)CCC)C[C@@H]2C1 ZINC001403428401 1364632266 /nfs/dbraw/zinc/63/22/66/1364632266.db2.gz ZHBRANSUKWUXNG-GVDBMIGSSA-N 2 1 341.927 2.688 10 30 EFEEMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001403975972 1365123304 /nfs/dbraw/zinc/12/33/04/1365123304.db2.gz CJBVPAMGIYLPDP-MRXNPFEDSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001408108269 1369613508 /nfs/dbraw/zinc/61/35/08/1369613508.db2.gz IOKBGSGDXTVPAV-OAHLLOKOSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)C[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001417814156 1373285575 /nfs/dbraw/zinc/28/55/75/1373285575.db2.gz QBCVEMIKFQKNBF-MRXNPFEDSA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001437958877 1388276097 /nfs/dbraw/zinc/27/60/97/1388276097.db2.gz ONXNGGZBHYWOMS-AEFFLSMTSA-N 2 1 349.906 2.870 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001437958877 1388276103 /nfs/dbraw/zinc/27/61/03/1388276103.db2.gz ONXNGGZBHYWOMS-AEFFLSMTSA-N 2 1 349.906 2.870 10 30 EFEEMP C=C(Cl)C[NH2+]C1CCC(NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001418186701 1373751030 /nfs/dbraw/zinc/75/10/30/1373751030.db2.gz IPGMAKJWZNSYSM-UYSNPLJNSA-N 2 1 327.900 2.630 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@@H]2[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)[C@H]21 ZINC001418740881 1374445242 /nfs/dbraw/zinc/44/52/42/1374445242.db2.gz BUQMLHGIYMGFQS-PVAVHDDUSA-N 2 1 341.927 2.684 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@@H]2[C@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)[C@H]21 ZINC001418740881 1374445245 /nfs/dbraw/zinc/44/52/45/1374445245.db2.gz BUQMLHGIYMGFQS-PVAVHDDUSA-N 2 1 341.927 2.684 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)[C@H]21 ZINC001418740881 1374445250 /nfs/dbraw/zinc/44/52/50/1374445250.db2.gz BUQMLHGIYMGFQS-PVAVHDDUSA-N 2 1 341.927 2.684 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)[C@H]21 ZINC001418740881 1374445253 /nfs/dbraw/zinc/44/52/53/1374445253.db2.gz BUQMLHGIYMGFQS-PVAVHDDUSA-N 2 1 341.927 2.684 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001420928642 1377893239 /nfs/dbraw/zinc/89/32/39/1377893239.db2.gz HPZAIKXHYOIEFA-SJORKVTESA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@]1(NC(=O)Cn2c[nH+]cc2C)CCCC[C@@H]1C ZINC001438434654 1388597450 /nfs/dbraw/zinc/59/74/50/1388597450.db2.gz YTDBIEWBQUEOPZ-SUMWQHHRSA-N 2 1 338.883 2.599 10 30 EFEEMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001421873977 1379284991 /nfs/dbraw/zinc/28/49/91/1379284991.db2.gz SMEVKNLRDFRIHC-KRWDZBQOSA-N 2 1 347.906 2.732 10 30 EFEEMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001421873977 1379284993 /nfs/dbraw/zinc/28/49/93/1379284993.db2.gz SMEVKNLRDFRIHC-KRWDZBQOSA-N 2 1 347.906 2.732 10 30 EFEEMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001421873977 1379284995 /nfs/dbraw/zinc/28/49/95/1379284995.db2.gz SMEVKNLRDFRIHC-KRWDZBQOSA-N 2 1 347.906 2.732 10 30 EFEEMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001421873977 1379284996 /nfs/dbraw/zinc/28/49/96/1379284996.db2.gz SMEVKNLRDFRIHC-KRWDZBQOSA-N 2 1 347.906 2.732 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001422015586 1379485580 /nfs/dbraw/zinc/48/55/80/1379485580.db2.gz TVUBUTYXJRAYKV-JYJNAYRXSA-N 2 1 329.916 2.590 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001423486461 1381978127 /nfs/dbraw/zinc/97/81/27/1381978127.db2.gz RFZOAXFUUWILMB-PBHICJAKSA-N 2 1 345.890 2.532 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001424278636 1382917071 /nfs/dbraw/zinc/91/70/71/1382917071.db2.gz KUXILARRDWBRII-SJORKVTESA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001426206819 1384070519 /nfs/dbraw/zinc/07/05/19/1384070519.db2.gz CJBVPAMGIYLPDP-INIZCTEOSA-N 2 1 341.927 2.832 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001506796262 1406284944 /nfs/dbraw/zinc/28/49/44/1406284944.db2.gz QNOURAAHCTWOIK-MKXGPGLRSA-N 2 1 345.531 2.511 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@H]1CC ZINC001440460666 1389661171 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ZINC001496288555 1400603501 /nfs/dbraw/zinc/60/35/01/1400603501.db2.gz ODMCIIPABMWPNH-MAUKXSAKSA-N 2 1 327.488 2.505 10 30 EFEEMP C=C(C)C[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001496501259 1400776326 /nfs/dbraw/zinc/77/63/26/1400776326.db2.gz IVTKBTFTCGPSSQ-IBGZPJMESA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)C[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001496501259 1400776328 /nfs/dbraw/zinc/77/63/28/1400776328.db2.gz IVTKBTFTCGPSSQ-IBGZPJMESA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)C[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001496501259 1400776331 /nfs/dbraw/zinc/77/63/31/1400776331.db2.gz IVTKBTFTCGPSSQ-IBGZPJMESA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001496924762 1401105262 /nfs/dbraw/zinc/10/52/62/1401105262.db2.gz RHYNPGRRPZVCDS-RTBURBONSA-N 2 1 329.488 2.569 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001496924762 1401105265 /nfs/dbraw/zinc/10/52/65/1401105265.db2.gz RHYNPGRRPZVCDS-RTBURBONSA-N 2 1 329.488 2.569 10 30 EFEEMP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(C)(C)C ZINC001507939184 1407217492 /nfs/dbraw/zinc/21/74/92/1407217492.db2.gz NPAOTKXSFRUYIX-HKUYNNGSSA-N 2 1 347.547 2.785 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCCC(C)C)CC1 ZINC001508059664 1407270503 /nfs/dbraw/zinc/27/05/03/1407270503.db2.gz ROQXIGRUFZAKCC-QUCCMNQESA-N 2 1 347.547 2.737 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCCC(C)C)CC1 ZINC001508059664 1407270508 /nfs/dbraw/zinc/27/05/08/1407270508.db2.gz ROQXIGRUFZAKCC-QUCCMNQESA-N 2 1 347.547 2.737 10 30 EFEEMP CCCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001499515164 1402652764 /nfs/dbraw/zinc/65/27/64/1402652764.db2.gz QFQJLBFVNGMQDQ-QRVBRYPASA-N 2 1 335.536 2.974 10 30 EFEEMP CCCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001499515164 1402652769 /nfs/dbraw/zinc/65/27/69/1402652769.db2.gz QFQJLBFVNGMQDQ-QRVBRYPASA-N 2 1 335.536 2.974 10 30 EFEEMP CCCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001499515164 1402652773 /nfs/dbraw/zinc/65/27/73/1402652773.db2.gz QFQJLBFVNGMQDQ-QRVBRYPASA-N 2 1 335.536 2.974 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C ZINC001499515473 1402653609 /nfs/dbraw/zinc/65/36/09/1402653609.db2.gz ZKWNWIYPFHRGDH-NXHRZFHOSA-N 2 1 330.476 2.612 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C ZINC001499515473 1402653613 /nfs/dbraw/zinc/65/36/13/1402653613.db2.gz ZKWNWIYPFHRGDH-NXHRZFHOSA-N 2 1 330.476 2.612 10 30 EFEEMP CC#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001499526273 1402661898 /nfs/dbraw/zinc/66/18/98/1402661898.db2.gz QYLDDFUBRLMFBV-HXUWFJFHSA-N 2 1 345.531 2.586 10 30 EFEEMP CC#CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001499526273 1402661899 /nfs/dbraw/zinc/66/18/99/1402661899.db2.gz QYLDDFUBRLMFBV-HXUWFJFHSA-N 2 1 345.531 2.586 10 30 EFEEMP CC#CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001499526273 1402661901 /nfs/dbraw/zinc/66/19/01/1402661901.db2.gz QYLDDFUBRLMFBV-HXUWFJFHSA-N 2 1 345.531 2.586 10 30 EFEEMP C=CCCCCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001499595964 1402706751 /nfs/dbraw/zinc/70/67/51/1402706751.db2.gz CJEMCYGZTQPMEU-AZUAARDMSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001499595964 1402706756 /nfs/dbraw/zinc/70/67/56/1402706756.db2.gz CJEMCYGZTQPMEU-AZUAARDMSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001499595964 1402706758 /nfs/dbraw/zinc/70/67/58/1402706758.db2.gz CJEMCYGZTQPMEU-AZUAARDMSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCCCC[NH+]1CC(N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001499690839 1402746487 /nfs/dbraw/zinc/74/64/87/1402746487.db2.gz NTUDVCUHMBQRDE-UHFFFAOYSA-N 2 1 333.520 2.751 10 30 EFEEMP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 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BKJYSFCOWZGSBA-UXHICEINSA-N 2 1 345.531 2.587 10 30 EFEEMP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001501567746 1403630626 /nfs/dbraw/zinc/63/06/26/1403630626.db2.gz DLWZBCJHWGIXKD-IAGOWNOFSA-N 2 1 332.492 2.801 10 30 EFEEMP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001501567747 1403630650 /nfs/dbraw/zinc/63/06/50/1403630650.db2.gz DLWZBCJHWGIXKD-IRXDYDNUSA-N 2 1 332.492 2.801 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001501888927 1403856604 /nfs/dbraw/zinc/85/66/04/1403856604.db2.gz APXIXXQWAOUQEQ-QZTJIDSGSA-N 2 1 344.503 2.691 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001502137289 1404036429 /nfs/dbraw/zinc/03/64/29/1404036429.db2.gz GLHCPCBUXSTCTO-QZTJIDSGSA-N 2 1 344.503 2.691 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001502137289 1404036434 /nfs/dbraw/zinc/03/64/34/1404036434.db2.gz GLHCPCBUXSTCTO-QZTJIDSGSA-N 2 1 344.503 2.691 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1C ZINC001502741297 1404318970 /nfs/dbraw/zinc/31/89/70/1404318970.db2.gz CCVSYOFGASZVEY-QUCCMNQESA-N 2 1 343.515 2.564 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001724970627 1425180697 /nfs/dbraw/zinc/18/06/97/1425180697.db2.gz MSVDWSFFWCVDQK-HNNXBMFYSA-N 2 1 329.916 2.688 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001724970627 1425180706 /nfs/dbraw/zinc/18/07/06/1425180706.db2.gz MSVDWSFFWCVDQK-HNNXBMFYSA-N 2 1 329.916 2.688 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C[C@H]1C ZINC001502987264 1404451104 /nfs/dbraw/zinc/45/11/04/1404451104.db2.gz LTSGZIRVWCZQRV-QUCCMNQESA-N 2 1 343.515 2.706 10 30 EFEEMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1C ZINC001502987264 1404451105 /nfs/dbraw/zinc/45/11/05/1404451105.db2.gz LTSGZIRVWCZQRV-QUCCMNQESA-N 2 1 343.515 2.706 10 30 EFEEMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1C ZINC001502987264 1404451107 /nfs/dbraw/zinc/45/11/07/1404451107.db2.gz LTSGZIRVWCZQRV-QUCCMNQESA-N 2 1 343.515 2.706 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001502988518 1404451174 /nfs/dbraw/zinc/45/11/74/1404451174.db2.gz NZOMSKWINPNDHY-SJLPKXTDSA-N 2 1 332.492 2.907 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001502988518 1404451177 /nfs/dbraw/zinc/45/11/77/1404451177.db2.gz NZOMSKWINPNDHY-SJLPKXTDSA-N 2 1 332.492 2.907 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@@H+](CC)CCCCC)CC1 ZINC001505396959 1404548486 /nfs/dbraw/zinc/54/84/86/1404548486.db2.gz XUWPOKIGJJMIJY-FQEVSTJZSA-N 2 1 347.547 2.835 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@H+](CC)CCCCC)CC1 ZINC001505396959 1404548489 /nfs/dbraw/zinc/54/84/89/1404548489.db2.gz XUWPOKIGJJMIJY-FQEVSTJZSA-N 2 1 347.547 2.835 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](CC)CCCCC)CC1 ZINC001505396959 1404548498 /nfs/dbraw/zinc/54/84/98/1404548498.db2.gz 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FUJLILQJNLVYFI-CTNGQTDRSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001716730707 1418980430 /nfs/dbraw/zinc/98/04/30/1418980430.db2.gz FUJLILQJNLVYFI-CTNGQTDRSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001716730707 1418980433 /nfs/dbraw/zinc/98/04/33/1418980433.db2.gz FUJLILQJNLVYFI-CTNGQTDRSA-N 2 1 347.547 2.997 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001716735211 1418984653 /nfs/dbraw/zinc/98/46/53/1418984653.db2.gz LQSCEZAGNJANHN-FQEVSTJZSA-N 2 1 344.503 2.862 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001716735211 1418984655 /nfs/dbraw/zinc/98/46/55/1418984655.db2.gz LQSCEZAGNJANHN-FQEVSTJZSA-N 2 1 344.503 2.862 10 30 EFEEMP C#CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](CC/C=C/CCC)CC1 ZINC001716803498 1419018750 /nfs/dbraw/zinc/01/87/50/1419018750.db2.gz DUCBBDWIQSEQIZ-DUIUGDAFSA-N 2 1 345.531 2.753 10 30 EFEEMP 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C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001716830398 1419038060 /nfs/dbraw/zinc/03/80/60/1419038060.db2.gz OLQCATBNKSLJIQ-LJQANCHMSA-N 2 1 333.520 2.609 10 30 EFEEMP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001716865053 1419063064 /nfs/dbraw/zinc/06/30/64/1419063064.db2.gz PAWQQZYOIHHERJ-APWZRJJASA-N 2 1 332.492 2.801 10 30 EFEEMP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001716865056 1419063531 /nfs/dbraw/zinc/06/35/31/1419063531.db2.gz PAWQQZYOIHHERJ-VQIMIIECSA-N 2 1 332.492 2.801 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001716901120 1419086360 /nfs/dbraw/zinc/08/63/60/1419086360.db2.gz BIJNFLQDPQUAOS-IEBWSBKVSA-N 2 1 333.520 2.655 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NC[C@@]2(C)CCC[N@H+](C[C@H](C)CC)C2)CC1 ZINC001716903146 1419088735 /nfs/dbraw/zinc/08/87/35/1419088735.db2.gz XXWRYAZLFPCFKD-WIYYLYMNSA-N 2 1 347.547 2.596 10 30 EFEEMP C=CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001716910162 1419091982 /nfs/dbraw/zinc/09/19/82/1419091982.db2.gz DADFMPPYFMVZEZ-CVEARBPZSA-N 2 1 343.462 2.510 10 30 EFEEMP C=CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001716910162 1419091987 /nfs/dbraw/zinc/09/19/87/1419091987.db2.gz DADFMPPYFMVZEZ-CVEARBPZSA-N 2 1 343.462 2.510 10 30 EFEEMP C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001716910162 1419091990 /nfs/dbraw/zinc/09/19/90/1419091990.db2.gz DADFMPPYFMVZEZ-CVEARBPZSA-N 2 1 343.462 2.510 10 30 EFEEMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001716998236 1419133824 /nfs/dbraw/zinc/13/38/24/1419133824.db2.gz MZWWQULJONKZRM-GSEOLPGOSA-N 2 1 345.531 2.654 10 30 EFEEMP CC#CC[NH2+]CCN(Cc1ccccc1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001717005734 1419141695 /nfs/dbraw/zinc/14/16/95/1419141695.db2.gz MNYIVCNCWMUXIT-FQEVSTJZSA-N 2 1 341.499 2.503 10 30 EFEEMP C=CCCCCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]2C1 ZINC001717011425 1419146715 /nfs/dbraw/zinc/14/67/15/1419146715.db2.gz PHGFYTXVHITUIM-CEXWTWQISA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001717011425 1419146720 /nfs/dbraw/zinc/14/67/20/1419146720.db2.gz PHGFYTXVHITUIM-CEXWTWQISA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001717011425 1419146727 /nfs/dbraw/zinc/14/67/27/1419146727.db2.gz PHGFYTXVHITUIM-CEXWTWQISA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001717042301 1419176807 /nfs/dbraw/zinc/17/68/07/1419176807.db2.gz NJIZQENAWXTUHQ-YSIASYRMSA-N 2 1 347.547 2.996 10 30 EFEEMP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)CCCn2cc[nH+]c2C)cc1 ZINC001717115009 1419219405 /nfs/dbraw/zinc/21/94/05/1419219405.db2.gz IDECJAQYZVBJFW-INIZCTEOSA-N 2 1 338.455 2.572 10 30 EFEEMP C#CCC[N@H+](C)Cc1ccccc1CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001717117409 1419221364 /nfs/dbraw/zinc/22/13/64/1419221364.db2.gz RQPXCSOKJWXBFD-QZTJIDSGSA-N 2 1 341.499 2.631 10 30 EFEEMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001717129009 1419227782 /nfs/dbraw/zinc/22/77/82/1419227782.db2.gz VYVVVZDPDCAVIQ-ROUUACIJSA-N 2 1 333.520 2.607 10 30 EFEEMP C=C(C)CC[N@@H+]1CCc2c(CNC(=O)CCC[NH+](C)C)cccc2C1 ZINC001717143654 1419234918 /nfs/dbraw/zinc/23/49/18/1419234918.db2.gz RMVDFZXGGUKZQR-UHFFFAOYSA-N 2 1 343.515 2.969 10 30 EFEEMP C=CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCCn3ccnc3)C2)C1 ZINC001717217541 1419270844 /nfs/dbraw/zinc/27/08/44/1419270844.db2.gz SGZPARBUQKIQQC-OALUTQOASA-N 2 1 344.503 2.800 10 30 EFEEMP C=C(C)CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)C[N@H+](C)CCC ZINC001717245357 1419288296 /nfs/dbraw/zinc/28/82/96/1419288296.db2.gz RFBABQRRSAHKMV-FQEVSTJZSA-N 2 1 343.515 2.838 10 30 EFEEMP C=C(C)CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)C[NH+](C)CCC ZINC001717245357 1419288298 /nfs/dbraw/zinc/28/82/98/1419288298.db2.gz RFBABQRRSAHKMV-FQEVSTJZSA-N 2 1 343.515 2.838 10 30 EFEEMP C=C(C)CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C[NH+](C)CCC ZINC001717245357 1419288299 /nfs/dbraw/zinc/28/82/99/1419288299.db2.gz RFBABQRRSAHKMV-FQEVSTJZSA-N 2 1 343.515 2.838 10 30 EFEEMP C=C(C)CC[NH+]1Cc2ccc(CNC(=O)C[C@H]3CC[N@H+](C)C3)cc2C1 ZINC001717271107 1419300523 /nfs/dbraw/zinc/30/05/23/1419300523.db2.gz XPGNDNRLQZVBTL-GOSISDBHSA-N 2 1 341.499 2.926 10 30 EFEEMP C=C(C)CC[N@H+]1Cc2ccc(CNC(=O)C[C@H]3CC[NH+](C)C3)cc2C1 ZINC001717271107 1419300525 /nfs/dbraw/zinc/30/05/25/1419300525.db2.gz XPGNDNRLQZVBTL-GOSISDBHSA-N 2 1 341.499 2.926 10 30 EFEEMP C=C(C)CC[N@@H+]1Cc2ccc(CNC(=O)C[C@H]3CC[NH+](C)C3)cc2C1 ZINC001717271107 1419300530 /nfs/dbraw/zinc/30/05/30/1419300530.db2.gz XPGNDNRLQZVBTL-GOSISDBHSA-N 2 1 341.499 2.926 10 30 EFEEMP C=C(C)CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001717297619 1419313145 /nfs/dbraw/zinc/31/31/45/1419313145.db2.gz BLDMSQDLMMIHNS-MSOLQXFVSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCCC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001717297693 1419313304 /nfs/dbraw/zinc/31/33/04/1419313304.db2.gz FKUSAOGRBBJROO-ZWKOTPCHSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001717310375 1419322623 /nfs/dbraw/zinc/32/26/23/1419322623.db2.gz GMMSHPGOIPPLTL-IAGOWNOFSA-N 2 1 335.536 2.900 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC001717340925 1419341935 /nfs/dbraw/zinc/34/19/35/1419341935.db2.gz KBIWPHWZLNLCCR-BJLQDIEVSA-N 2 1 341.499 2.638 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC001717340925 1419341937 /nfs/dbraw/zinc/34/19/37/1419341937.db2.gz KBIWPHWZLNLCCR-BJLQDIEVSA-N 2 1 341.499 2.638 10 30 EFEEMP C=CCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001717344866 1419344812 /nfs/dbraw/zinc/34/48/12/1419344812.db2.gz ZVWFLSUHJAQASO-LJQANCHMSA-N 2 1 329.488 2.618 10 30 EFEEMP C=CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001717344866 1419344814 /nfs/dbraw/zinc/34/48/14/1419344814.db2.gz ZVWFLSUHJAQASO-LJQANCHMSA-N 2 1 329.488 2.618 10 30 EFEEMP C=CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001717344866 1419344816 /nfs/dbraw/zinc/34/48/16/1419344816.db2.gz ZVWFLSUHJAQASO-LJQANCHMSA-N 2 1 329.488 2.618 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@H+](CC)CC=C(C)C)CC1 ZINC001717356059 1419350676 /nfs/dbraw/zinc/35/06/76/1419350676.db2.gz KYCPFMRYCZKUAN-FQEVSTJZSA-N 2 1 345.531 2.611 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@@H+](CC)CC=C(C)C)CC1 ZINC001717356059 1419350677 /nfs/dbraw/zinc/35/06/77/1419350677.db2.gz KYCPFMRYCZKUAN-FQEVSTJZSA-N 2 1 345.531 2.611 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](CC)CC=C(C)C)CC1 ZINC001717356059 1419350681 /nfs/dbraw/zinc/35/06/81/1419350681.db2.gz KYCPFMRYCZKUAN-FQEVSTJZSA-N 2 1 345.531 2.611 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](CC)CC=C(C)C)CC1 ZINC001717356059 1419350685 /nfs/dbraw/zinc/35/06/85/1419350685.db2.gz KYCPFMRYCZKUAN-FQEVSTJZSA-N 2 1 345.531 2.611 10 30 EFEEMP C=C(C)CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001717371745 1419364918 /nfs/dbraw/zinc/36/49/18/1419364918.db2.gz VQINVLNLZCQLNE-RTBURBONSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001717371745 1419364922 /nfs/dbraw/zinc/36/49/22/1419364922.db2.gz VQINVLNLZCQLNE-RTBURBONSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001717371745 1419364925 /nfs/dbraw/zinc/36/49/25/1419364925.db2.gz VQINVLNLZCQLNE-RTBURBONSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001717374033 1419366971 /nfs/dbraw/zinc/36/69/71/1419366971.db2.gz QDDUPTRATMCIJN-HXUWFJFHSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001717376915 1419368022 /nfs/dbraw/zinc/36/80/22/1419368022.db2.gz ARHRDCYHPJZKAE-FQEVSTJZSA-N 2 1 347.547 2.999 10 30 EFEEMP C#CC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@H+](C)CCCCCC)C2)C1 ZINC001717377463 1419369088 /nfs/dbraw/zinc/36/90/88/1419369088.db2.gz CDSUGAXJZPSLJI-UXHICEINSA-N 2 1 347.547 2.692 10 30 EFEEMP C#CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)CCCCCC)C2)C1 ZINC001717377463 1419369089 /nfs/dbraw/zinc/36/90/89/1419369089.db2.gz CDSUGAXJZPSLJI-UXHICEINSA-N 2 1 347.547 2.692 10 30 EFEEMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)CCCCCC)C2)C1 ZINC001717377463 1419369090 /nfs/dbraw/zinc/36/90/90/1419369090.db2.gz CDSUGAXJZPSLJI-UXHICEINSA-N 2 1 347.547 2.692 10 30 EFEEMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001717538953 1419434495 /nfs/dbraw/zinc/43/44/95/1419434495.db2.gz WCNSKUZEGQETCI-GOSISDBHSA-N 2 1 333.520 2.633 10 30 EFEEMP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001717538953 1419434498 /nfs/dbraw/zinc/43/44/98/1419434498.db2.gz WCNSKUZEGQETCI-GOSISDBHSA-N 2 1 333.520 2.633 10 30 EFEEMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001717538953 1419434501 /nfs/dbraw/zinc/43/45/01/1419434501.db2.gz WCNSKUZEGQETCI-GOSISDBHSA-N 2 1 333.520 2.633 10 30 EFEEMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001717588448 1419459792 /nfs/dbraw/zinc/45/97/92/1419459792.db2.gz AMNKDNKBKLPJDR-MSOLQXFVSA-N 2 1 329.488 2.692 10 30 EFEEMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001717588448 1419459793 /nfs/dbraw/zinc/45/97/93/1419459793.db2.gz AMNKDNKBKLPJDR-MSOLQXFVSA-N 2 1 329.488 2.692 10 30 EFEEMP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001717598264 1419463255 /nfs/dbraw/zinc/46/32/55/1419463255.db2.gz AJWTXAIJBCBAAM-LDLYASANSA-N 2 1 347.547 2.759 10 30 EFEEMP C=CCCC[NH+]1CCCC2(CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001717630291 1419478687 /nfs/dbraw/zinc/47/86/87/1419478687.db2.gz LEVPNCCPBMVUFB-HDICACEKSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCCC[N@H+]1CCCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001717630291 1419478689 /nfs/dbraw/zinc/47/86/89/1419478689.db2.gz LEVPNCCPBMVUFB-HDICACEKSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCCC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001717630291 1419478691 /nfs/dbraw/zinc/47/86/91/1419478691.db2.gz LEVPNCCPBMVUFB-HDICACEKSA-N 2 1 333.520 2.750 10 30 EFEEMP C=C(C)CC[N@H+](C)C1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001717700721 1419514707 /nfs/dbraw/zinc/51/47/07/1419514707.db2.gz DPQKCRDZKTXXAP-KRWDZBQOSA-N 2 1 327.488 2.555 10 30 EFEEMP C=CCC[N@H+](C)C1CCN(C(=O)c2ccn3c(C)cnc3c2)CC1 ZINC001717701261 1419515085 /nfs/dbraw/zinc/51/50/85/1419515085.db2.gz YDMGXOBVWTXMPP-UHFFFAOYSA-N 2 1 326.444 2.755 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N(CC[N@H+](C)C[C@H](C)CC)C(C)C)CC1 ZINC001717952418 1419626776 /nfs/dbraw/zinc/62/67/76/1419626776.db2.gz HKQIOSDRFIYXJS-GOSISDBHSA-N 2 1 335.536 2.547 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C(C)(C)C ZINC001717967991 1419633973 /nfs/dbraw/zinc/63/39/73/1419633973.db2.gz QCYQPQUYGMZFON-FUHWJXTLSA-N 2 1 346.519 2.841 10 30 EFEEMP C=CC[NH+]1CCC([C@@H](C)NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001717980959 1419640800 /nfs/dbraw/zinc/64/08/00/1419640800.db2.gz RXLXETLITHVKJY-QGZVFWFLSA-N 2 1 329.488 2.521 10 30 EFEEMP C=CC[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001717980959 1419640802 /nfs/dbraw/zinc/64/08/02/1419640802.db2.gz RXLXETLITHVKJY-QGZVFWFLSA-N 2 1 329.488 2.521 10 30 EFEEMP C=CC[NH+]1CCC([C@H](C)NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001717985710 1419643092 /nfs/dbraw/zinc/64/30/92/1419643092.db2.gz RXLXETLITHVKJY-KRWDZBQOSA-N 2 1 329.488 2.521 10 30 EFEEMP C=CC[NH+]1CCC([C@H](C)NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001717985710 1419643095 /nfs/dbraw/zinc/64/30/95/1419643095.db2.gz RXLXETLITHVKJY-KRWDZBQOSA-N 2 1 329.488 2.521 10 30 EFEEMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001717998374 1419648937 /nfs/dbraw/zinc/64/89/37/1419648937.db2.gz FZHYXZBDQMJNNA-CTWPCTMYSA-N 2 1 329.488 2.835 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCC(C2(NC(=O)Cc3cnc[nH]3)CC2)CC1 ZINC001718003438 1419651398 /nfs/dbraw/zinc/65/13/98/1419651398.db2.gz JKKBMQLUPHMOQM-HNNXBMFYSA-N 2 1 330.476 2.668 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCC(C2(NC(=O)Cc3cnc[nH]3)CC2)CC1 ZINC001718003440 1419651528 /nfs/dbraw/zinc/65/15/28/1419651528.db2.gz JKKBMQLUPHMOQM-OAHLLOKOSA-N 2 1 330.476 2.668 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001723450969 1424500126 /nfs/dbraw/zinc/50/01/26/1424500126.db2.gz MDEDEPCOUYFNJM-OALUTQOASA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001723450969 1424500129 /nfs/dbraw/zinc/50/01/29/1424500129.db2.gz MDEDEPCOUYFNJM-OALUTQOASA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001723450969 1424500134 /nfs/dbraw/zinc/50/01/34/1424500134.db2.gz MDEDEPCOUYFNJM-OALUTQOASA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001723515085 1424517358 /nfs/dbraw/zinc/51/73/58/1424517358.db2.gz PEXKBRZKYFDAAR-QGZVFWFLSA-N 2 1 333.520 2.846 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001723605590 1424529175 /nfs/dbraw/zinc/52/91/75/1424529175.db2.gz AFVCEKNABRTJKI-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCCn2ccnc2)C1 ZINC001723606556 1424530101 /nfs/dbraw/zinc/53/01/01/1424530101.db2.gz GMPGLWZSAMEKJD-ROUUACIJSA-N 2 1 330.476 2.552 10 30 EFEEMP C#CCC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001723608893 1424534184 /nfs/dbraw/zinc/53/41/84/1424534184.db2.gz SQRRVWUMZXSBRD-MOPGFXCFSA-N 2 1 347.547 2.691 10 30 EFEEMP C#CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001723608893 1424534190 /nfs/dbraw/zinc/53/41/90/1424534190.db2.gz SQRRVWUMZXSBRD-MOPGFXCFSA-N 2 1 347.547 2.691 10 30 EFEEMP C#CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001723608893 1424534195 /nfs/dbraw/zinc/53/41/95/1424534195.db2.gz SQRRVWUMZXSBRD-MOPGFXCFSA-N 2 1 347.547 2.691 10 30 EFEEMP C=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001723609716 1424535135 /nfs/dbraw/zinc/53/51/35/1424535135.db2.gz WGKJMARVSAJVAF-RTBURBONSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001723719695 1424567538 /nfs/dbraw/zinc/56/75/38/1424567538.db2.gz SUBZXISPICFBFF-UYAOXDASSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001723719695 1424567543 /nfs/dbraw/zinc/56/75/43/1424567543.db2.gz SUBZXISPICFBFF-UYAOXDASSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001723719695 1424567549 /nfs/dbraw/zinc/56/75/49/1424567549.db2.gz SUBZXISPICFBFF-UYAOXDASSA-N 2 1 333.520 2.750 10 30 EFEEMP CCCCCCC[NH+]1CC(N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001723776181 1424577316 /nfs/dbraw/zinc/57/73/16/1424577316.db2.gz MFYFJAZTZAKXLQ-UHFFFAOYSA-N 2 1 335.536 2.975 10 30 EFEEMP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001724301993 1424725751 /nfs/dbraw/zinc/72/57/51/1424725751.db2.gz VDAUKVDNABDFEY-ZWKOTPCHSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CCC[C@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001724328521 1424735670 /nfs/dbraw/zinc/73/56/70/1424735670.db2.gz ILLZTVVABZFGMJ-QFBILLFUSA-N 2 1 332.492 2.765 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CCC[C@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001724328521 1424735675 /nfs/dbraw/zinc/73/56/75/1424735675.db2.gz ILLZTVVABZFGMJ-QFBILLFUSA-N 2 1 332.492 2.765 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CCC[C@@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001724328520 1424736350 /nfs/dbraw/zinc/73/63/50/1424736350.db2.gz ILLZTVVABZFGMJ-LPHOPBHVSA-N 2 1 332.492 2.765 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CCC[C@@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001724328520 1424736354 /nfs/dbraw/zinc/73/63/54/1424736354.db2.gz ILLZTVVABZFGMJ-LPHOPBHVSA-N 2 1 332.492 2.765 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001724597984 1424813951 /nfs/dbraw/zinc/81/39/51/1424813951.db2.gz FNAVXFMJCTWRJU-QTMHVTGLSA-N 2 1 333.520 2.652 10 30 EFEEMP C=CCC[C@H](C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001724597984 1424813962 /nfs/dbraw/zinc/81/39/62/1424813962.db2.gz FNAVXFMJCTWRJU-QTMHVTGLSA-N 2 1 333.520 2.652 10 30 EFEEMP C=CCC[C@H](C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001724597984 1424813971 /nfs/dbraw/zinc/81/39/71/1424813971.db2.gz FNAVXFMJCTWRJU-QTMHVTGLSA-N 2 1 333.520 2.652 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001724647306 1424875147 /nfs/dbraw/zinc/87/51/47/1424875147.db2.gz IZXTZKBALOVUGE-IPMKNSEASA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CC ZINC001724647306 1424875151 /nfs/dbraw/zinc/87/51/51/1424875151.db2.gz IZXTZKBALOVUGE-IPMKNSEASA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CC ZINC001724647306 1424875159 /nfs/dbraw/zinc/87/51/59/1424875159.db2.gz IZXTZKBALOVUGE-IPMKNSEASA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCC[NH+]1CCCC1 ZINC001724653940 1424886943 /nfs/dbraw/zinc/88/69/43/1424886943.db2.gz XADMVNRKYCPSQJ-MOPGFXCFSA-N 2 1 333.520 2.894 10 30 EFEEMP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001724737200 1424962849 /nfs/dbraw/zinc/96/28/49/1424962849.db2.gz IHHZNLXDPWXGSM-SFHVURJKSA-N 2 1 349.906 2.699 10 30 EFEEMP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001724737200 1424962851 /nfs/dbraw/zinc/96/28/51/1424962851.db2.gz IHHZNLXDPWXGSM-SFHVURJKSA-N 2 1 349.906 2.699 10 30 EFEEMP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)CC[C@@H]2CCC[N@H+]2C)cc1 ZINC001724744207 1424973378 /nfs/dbraw/zinc/97/33/78/1424973378.db2.gz OKPIEZISTLCGIO-XLIONFOSSA-N 2 1 341.499 2.851 10 30 EFEEMP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001724752204 1424981515 /nfs/dbraw/zinc/98/15/15/1424981515.db2.gz PXVOLRYDESFZIG-MKXGPGLRSA-N 2 1 333.520 2.844 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001724753718 1424983348 /nfs/dbraw/zinc/98/33/48/1424983348.db2.gz CVZAMZWMBPQRCB-CADBVGFASA-N 2 1 333.520 2.844 10 30 EFEEMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)CC1 ZINC001724760008 1424990600 /nfs/dbraw/zinc/99/06/00/1424990600.db2.gz PCTVYHHWUUJRLF-OALUTQOASA-N 2 1 345.531 2.894 10 30 EFEEMP C=C(C)C[NH+]1CCc2c(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)cccc2C1 ZINC001724777149 1425004372 /nfs/dbraw/zinc/00/43/72/1425004372.db2.gz NSWRBEBACMQLGL-QGZVFWFLSA-N 2 1 341.499 2.579 10 30 EFEEMP C=C(C)C[N@H+]1CCc2c(CNC(=O)C[NH+]3CC[C@@H](C)C3)cccc2C1 ZINC001724777149 1425004381 /nfs/dbraw/zinc/00/43/81/1425004381.db2.gz NSWRBEBACMQLGL-QGZVFWFLSA-N 2 1 341.499 2.579 10 30 EFEEMP C=C(C)C[N@@H+]1CCc2c(CNC(=O)C[NH+]3CC[C@@H](C)C3)cccc2C1 ZINC001724777149 1425004386 /nfs/dbraw/zinc/00/43/86/1425004386.db2.gz NSWRBEBACMQLGL-QGZVFWFLSA-N 2 1 341.499 2.579 10 30 EFEEMP C=C(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CC2CC2)CC1 ZINC001724865912 1425080089 /nfs/dbraw/zinc/08/00/89/1425080089.db2.gz YUYURFJHOVOLTJ-BGYRXZFFSA-N 2 1 345.531 2.892 10 30 EFEEMP C=C(C)CN1Cc2ccccc2C[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001724892099 1425106452 /nfs/dbraw/zinc/10/64/52/1425106452.db2.gz CNBAHVIILYUCGN-HXUWFJFHSA-N 2 1 341.499 2.590 10 30 EFEEMP C=C(C)C[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001724892099 1425106458 /nfs/dbraw/zinc/10/64/58/1425106458.db2.gz CNBAHVIILYUCGN-HXUWFJFHSA-N 2 1 341.499 2.590 10 30 EFEEMP C=C(C)C[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001724892099 1425106465 /nfs/dbraw/zinc/10/64/65/1425106465.db2.gz CNBAHVIILYUCGN-HXUWFJFHSA-N 2 1 341.499 2.590 10 30 EFEEMP C=C(C)C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001724892099 1425106481 /nfs/dbraw/zinc/10/64/81/1425106481.db2.gz CNBAHVIILYUCGN-HXUWFJFHSA-N 2 1 341.499 2.590 10 30 EFEEMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001724902449 1425121893 /nfs/dbraw/zinc/12/18/93/1425121893.db2.gz WDQFCCOZMYEHEC-FQEVSTJZSA-N 2 1 333.520 2.753 10 30 EFEEMP CC#CC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001724954877 1425164063 /nfs/dbraw/zinc/16/40/63/1425164063.db2.gz XRBKNEMJBJPCCI-SFHVURJKSA-N 2 1 345.531 2.635 10 30 EFEEMP C=CCCCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001724970467 1425180800 /nfs/dbraw/zinc/18/08/00/1425180800.db2.gz LAOJRSKQIRJUHT-ZWKOTPCHSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001724970467 1425180805 /nfs/dbraw/zinc/18/08/05/1425180805.db2.gz LAOJRSKQIRJUHT-ZWKOTPCHSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001724970467 1425180811 /nfs/dbraw/zinc/18/08/11/1425180811.db2.gz LAOJRSKQIRJUHT-ZWKOTPCHSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001724970628 1425180934 /nfs/dbraw/zinc/18/09/34/1425180934.db2.gz MSVDWSFFWCVDQK-OAHLLOKOSA-N 2 1 329.916 2.688 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001724970628 1425180937 /nfs/dbraw/zinc/18/09/37/1425180937.db2.gz MSVDWSFFWCVDQK-OAHLLOKOSA-N 2 1 329.916 2.688 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCC(C)C)[C@@H](C)C2)CC1 ZINC001725000081 1425213990 /nfs/dbraw/zinc/21/39/90/1425213990.db2.gz FZNAXQLTPMOBNX-AZUAARDMSA-N 2 1 347.547 2.737 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001725175706 1425356472 /nfs/dbraw/zinc/35/64/72/1425356472.db2.gz NISBWLXEFMRRQI-CVEARBPZSA-N 2 1 341.459 2.672 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC001725290017 1425443730 /nfs/dbraw/zinc/44/37/30/1425443730.db2.gz NVJHZARBYNAXHP-IRXDYDNUSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCC[NH+]3CCCC3)C[C@H]2C1 ZINC001725336662 1425481024 /nfs/dbraw/zinc/48/10/24/1425481024.db2.gz 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1 345.531 2.611 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC/C=C/CCC)C1 ZINC001267658799 1095364336 /nfs/dbraw/zinc/36/43/36/1095364336.db2.gz RUHQKHJOVRMEKY-RLFQVEEXSA-N 2 1 345.531 2.611 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC/C=C/CCC)C1 ZINC001267658799 1095364351 /nfs/dbraw/zinc/36/43/51/1095364351.db2.gz RUHQKHJOVRMEKY-RLFQVEEXSA-N 2 1 345.531 2.611 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC/C=C/CCC)C1 ZINC001267658799 1095364366 /nfs/dbraw/zinc/36/43/66/1095364366.db2.gz RUHQKHJOVRMEKY-RLFQVEEXSA-N 2 1 345.531 2.611 10 30 EFEEMP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001268106179 1095366830 /nfs/dbraw/zinc/36/68/30/1095366830.db2.gz RVDMFTLXRVFBST-RBUKOAKNSA-N 2 1 347.547 2.785 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001268111116 1095379375 /nfs/dbraw/zinc/37/93/75/1095379375.db2.gz MNIPLYSVIVSABQ-QZTJIDSGSA-N 2 1 346.519 2.841 10 30 EFEEMP 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ZINC001267547389 1095457581 /nfs/dbraw/zinc/45/75/81/1095457581.db2.gz MIUIFMXVADDTEQ-OALUTQOASA-N 2 1 333.520 2.587 10 30 EFEEMP C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001267547352 1095458228 /nfs/dbraw/zinc/45/82/28/1095458228.db2.gz MBQCZWWCNUPNBT-HXUWFJFHSA-N 2 1 343.515 2.903 10 30 EFEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001267690677 1095464009 /nfs/dbraw/zinc/46/40/09/1095464009.db2.gz QCIYGRVSZMPQJL-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001267690679 1095464023 /nfs/dbraw/zinc/46/40/23/1095464023.db2.gz QCIYGRVSZMPQJL-RBUKOAKNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001267713115 1095590760 /nfs/dbraw/zinc/59/07/60/1095590760.db2.gz ZEDBJNUBZJAFIA-IKGGRYGDSA-N 2 1 330.476 2.646 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001267713115 1095590770 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LZXUYQJMVDSEMV-HKUYNNGSSA-N 2 1 329.488 2.646 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001268228970 1096135784 /nfs/dbraw/zinc/13/57/84/1096135784.db2.gz MPDSUOOQAIEPCQ-RBUKOAKNSA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001268228970 1096135791 /nfs/dbraw/zinc/13/57/91/1096135791.db2.gz MPDSUOOQAIEPCQ-RBUKOAKNSA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001268228970 1096135794 /nfs/dbraw/zinc/13/57/94/1096135794.db2.gz MPDSUOOQAIEPCQ-RBUKOAKNSA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001268228970 1096135801 /nfs/dbraw/zinc/13/58/01/1096135801.db2.gz MPDSUOOQAIEPCQ-RBUKOAKNSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](C)CC1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001267601107 1096190771 /nfs/dbraw/zinc/19/07/71/1096190771.db2.gz KKJLQDSDHZGPDI-KRWDZBQOSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[C@H](C)[NH+](C)CC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001267601107 1096190773 /nfs/dbraw/zinc/19/07/73/1096190773.db2.gz KKJLQDSDHZGPDI-KRWDZBQOSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[C@H](C)[NH+](C)CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001267601107 1096190780 /nfs/dbraw/zinc/19/07/80/1096190780.db2.gz KKJLQDSDHZGPDI-KRWDZBQOSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@H]21 ZINC001268265620 1096211805 /nfs/dbraw/zinc/21/18/05/1096211805.db2.gz JFSBXIZXFPKQOV-WOJBJXKFSA-N 2 1 347.547 2.996 10 30 EFEEMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)CC[C@H]21 ZINC001268267662 1096215017 /nfs/dbraw/zinc/21/50/17/1096215017.db2.gz OKNFEZOHURKZJU-UYAOXDASSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)CC[C@H]21 ZINC001268267662 1096215027 /nfs/dbraw/zinc/21/50/27/1096215027.db2.gz OKNFEZOHURKZJU-UYAOXDASSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)CC[C@H]21 ZINC001268267662 1096215033 /nfs/dbraw/zinc/21/50/33/1096215033.db2.gz OKNFEZOHURKZJU-UYAOXDASSA-N 2 1 345.531 2.587 10 30 EFEEMP CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001481677087 1096289629 /nfs/dbraw/zinc/28/96/29/1096289629.db2.gz CMIDUYFWYDJZBV-VJANTYMQSA-N 2 1 335.536 2.972 10 30 EFEEMP CCCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001481677087 1096289639 /nfs/dbraw/zinc/28/96/39/1096289639.db2.gz CMIDUYFWYDJZBV-VJANTYMQSA-N 2 1 335.536 2.972 10 30 EFEEMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](c1ccccc1)N(C)CC ZINC001481680911 1096293754 /nfs/dbraw/zinc/29/37/54/1096293754.db2.gz BZSULXIEOFIMJI-SLFFLAALSA-N 2 1 341.499 2.931 10 30 EFEEMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001481680911 1096293760 /nfs/dbraw/zinc/29/37/60/1096293760.db2.gz BZSULXIEOFIMJI-SLFFLAALSA-N 2 1 341.499 2.931 10 30 EFEEMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001481680911 1096293765 /nfs/dbraw/zinc/29/37/65/1096293765.db2.gz BZSULXIEOFIMJI-SLFFLAALSA-N 2 1 341.499 2.931 10 30 EFEEMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001481680911 1096293782 /nfs/dbraw/zinc/29/37/82/1096293782.db2.gz BZSULXIEOFIMJI-SLFFLAALSA-N 2 1 341.499 2.931 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC1CCC(C)(C)CC1 ZINC001268372077 1096411255 /nfs/dbraw/zinc/41/12/55/1096411255.db2.gz AYXBGRUIXZPVFS-MJGOQNOKSA-N 2 1 347.547 2.785 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC1CCC(C)(C)CC1 ZINC001268372077 1096411258 /nfs/dbraw/zinc/41/12/58/1096411258.db2.gz AYXBGRUIXZPVFS-MJGOQNOKSA-N 2 1 347.547 2.785 10 30 EFEEMP C=CCCCCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001481725754 1096415975 /nfs/dbraw/zinc/41/59/75/1096415975.db2.gz ALFMVIJFFVDRGD-GBESFXJTSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001481725754 1096415980 /nfs/dbraw/zinc/41/59/80/1096415980.db2.gz ALFMVIJFFVDRGD-GBESFXJTSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001481725754 1096415984 /nfs/dbraw/zinc/41/59/84/1096415984.db2.gz ALFMVIJFFVDRGD-GBESFXJTSA-N 2 1 335.536 2.996 10 30 EFEEMP CC[N@@H+](C)CCC(=O)N[C@H](C)CC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001268413663 1096550234 /nfs/dbraw/zinc/55/02/34/1096550234.db2.gz CJMNQDLGTLVGTD-MRXNPFEDSA-N 2 1 349.906 2.518 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](CC/C=C\CC)C2)CC1 ZINC001481781806 1096693951 /nfs/dbraw/zinc/69/39/51/1096693951.db2.gz ICGFSCOYKYNILE-WHXUGTBJSA-N 2 1 345.531 2.611 10 30 EFEEMP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001481850321 1096794784 /nfs/dbraw/zinc/79/47/84/1096794784.db2.gz KUYLBPSMPPLFDJ-MAUKXSAKSA-N 2 1 327.488 2.650 10 30 EFEEMP C=C(C)CC[NH2+][C@H](CC)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001481850322 1096795109 /nfs/dbraw/zinc/79/51/09/1096795109.db2.gz KUYLBPSMPPLFDJ-QAPCUYQASA-N 2 1 327.488 2.650 10 30 EFEEMP CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+]CC#Cc1ccccc1Cl ZINC001481880530 1096850823 /nfs/dbraw/zinc/85/08/23/1096850823.db2.gz GJLMWBMEVCJIBA-QGZVFWFLSA-N 2 1 349.906 2.516 10 30 EFEEMP C#CCC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001481931252 1096950196 /nfs/dbraw/zinc/95/01/96/1096950196.db2.gz MPYXYNKMVJUYKL-DYESRHJHSA-N 2 1 345.531 2.539 10 30 EFEEMP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001481983824 1097044852 /nfs/dbraw/zinc/04/48/52/1097044852.db2.gz JXASHJPHFJMNQI-ICSRJNTNSA-N 2 1 345.531 2.635 10 30 EFEEMP C=CCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001482020915 1097098686 /nfs/dbraw/zinc/09/86/86/1097098686.db2.gz MJVQBGQXDJJGGL-BZSNNMDCSA-N 2 1 344.503 2.737 10 30 EFEEMP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)cc1 ZINC001482033222 1097129415 /nfs/dbraw/zinc/12/94/15/1097129415.db2.gz FXNWFSQAICQUHK-PMACEKPBSA-N 2 1 341.499 2.985 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001482056062 1097193170 /nfs/dbraw/zinc/19/31/70/1097193170.db2.gz VMFWTLSPAYQOAF-PKOBYXMFSA-N 2 1 333.520 2.798 10 30 EFEEMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)C[N@H+](C)CCCCCC)CC2 ZINC001482071716 1097225364 /nfs/dbraw/zinc/22/53/64/1097225364.db2.gz KPEQRMVTRUCCSL-UHFFFAOYSA-N 2 1 347.547 2.836 10 30 EFEEMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)CCCCCC)CC2 ZINC001482071716 1097225370 /nfs/dbraw/zinc/22/53/70/1097225370.db2.gz KPEQRMVTRUCCSL-UHFFFAOYSA-N 2 1 347.547 2.836 10 30 EFEEMP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)CCCCCC)CC2 ZINC001482071716 1097225376 /nfs/dbraw/zinc/22/53/76/1097225376.db2.gz KPEQRMVTRUCCSL-UHFFFAOYSA-N 2 1 347.547 2.836 10 30 EFEEMP C=CCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001268944491 1097737776 /nfs/dbraw/zinc/73/77/76/1097737776.db2.gz XOHOGTRKKGXZSK-CADBVGFASA-N 2 1 333.520 2.748 10 30 EFEEMP C=CCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001268944491 1097737780 /nfs/dbraw/zinc/73/77/80/1097737780.db2.gz XOHOGTRKKGXZSK-CADBVGFASA-N 2 1 333.520 2.748 10 30 EFEEMP C=CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001268944491 1097737784 /nfs/dbraw/zinc/73/77/84/1097737784.db2.gz XOHOGTRKKGXZSK-CADBVGFASA-N 2 1 333.520 2.748 10 30 EFEEMP CC#CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1CC ZINC001269174433 1097918776 /nfs/dbraw/zinc/91/87/76/1097918776.db2.gz MKBQIBXISBFSDX-ICSRJNTNSA-N 2 1 347.547 2.881 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001269251991 1097987049 /nfs/dbraw/zinc/98/70/49/1097987049.db2.gz VBXOIPZMYIXDED-QGZVFWFLSA-N 2 1 326.444 2.755 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001269333453 1098063498 /nfs/dbraw/zinc/06/34/98/1098063498.db2.gz XAQWNSDDHSZMCM-SJORKVTESA-N 2 1 332.492 2.896 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001269333453 1098063502 /nfs/dbraw/zinc/06/35/02/1098063502.db2.gz XAQWNSDDHSZMCM-SJORKVTESA-N 2 1 332.492 2.896 10 30 EFEEMP CC[C@H](CNC(=O)CC[N@@H+](C)CC)[NH2+]CC#Cc1ccccc1Cl ZINC001269493273 1098182901 /nfs/dbraw/zinc/18/29/01/1098182901.db2.gz UWLNXVXFOUQCDS-QGZVFWFLSA-N 2 1 349.906 2.518 10 30 EFEEMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CCCC1 ZINC001482232112 1098263895 /nfs/dbraw/zinc/26/38/95/1098263895.db2.gz ALAKISSJOVKXGN-HZPDHXFCSA-N 2 1 339.911 2.774 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC1CC1)C1CCCCCC1 ZINC001269611553 1098296308 /nfs/dbraw/zinc/29/63/08/1098296308.db2.gz LWCDZEAZYMEECN-FQEVSTJZSA-N 2 1 345.531 2.635 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC1CC1)C1CCCCCC1 ZINC001269611553 1098296310 /nfs/dbraw/zinc/29/63/10/1098296310.db2.gz LWCDZEAZYMEECN-FQEVSTJZSA-N 2 1 345.531 2.635 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC1CC1)C1CCCCCC1 ZINC001269611553 1098296313 /nfs/dbraw/zinc/29/63/13/1098296313.db2.gz LWCDZEAZYMEECN-FQEVSTJZSA-N 2 1 345.531 2.635 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC1CC1)C1CCCCCC1 ZINC001269611553 1098296315 /nfs/dbraw/zinc/29/63/15/1098296315.db2.gz LWCDZEAZYMEECN-FQEVSTJZSA-N 2 1 345.531 2.635 10 30 EFEEMP C=CCC[NH+](CC1CC1)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001269633169 1098311020 /nfs/dbraw/zinc/31/10/20/1098311020.db2.gz UCOGVVADUBWIFQ-KRWDZBQOSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCC[N@H+](CC1CC1)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001269633169 1098311031 /nfs/dbraw/zinc/31/10/31/1098311031.db2.gz UCOGVVADUBWIFQ-KRWDZBQOSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCC[N@@H+](CC1CC1)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001269633169 1098311036 /nfs/dbraw/zinc/31/10/36/1098311036.db2.gz UCOGVVADUBWIFQ-KRWDZBQOSA-N 2 1 333.520 2.607 10 30 EFEEMP C=C(C)C[NH2+]C[C@@](C)(NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001269634045 1098311184 /nfs/dbraw/zinc/31/11/84/1098311184.db2.gz JLFIQEHCKBQDRQ-RTBURBONSA-N 2 1 339.499 2.650 10 30 EFEEMP C=CCCC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001269634699 1098313040 /nfs/dbraw/zinc/31/30/40/1098313040.db2.gz SYAJVOMWCRFFQY-UZLBHIALSA-N 2 1 344.503 2.595 10 30 EFEEMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001269700384 1098377973 /nfs/dbraw/zinc/37/79/73/1098377973.db2.gz WQHKJAGUYOQFNX-FQEVSTJZSA-N 2 1 333.520 2.753 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001269740574 1098412860 /nfs/dbraw/zinc/41/28/60/1098412860.db2.gz GOIWZITUVILJMD-QUCCMNQESA-N 2 1 335.536 2.997 10 30 EFEEMP C#CCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@H](C)C1 ZINC001269960028 1098548117 /nfs/dbraw/zinc/54/81/17/1098548117.db2.gz PZANARKHBMKKCZ-QZTJIDSGSA-N 2 1 333.520 2.633 10 30 EFEEMP C=C(C)C[NH2+]CCC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001267916075 1098631464 /nfs/dbraw/zinc/63/14/64/1098631464.db2.gz OEHGVMHPZOWZCI-RTBURBONSA-N 2 1 333.520 2.798 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CCCC(C)C)CC1 ZINC001270118466 1098715522 /nfs/dbraw/zinc/71/55/22/1098715522.db2.gz POBVJLXGJAOZOP-FQEVSTJZSA-N 2 1 347.547 2.739 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CCCC(C)C)CC1 ZINC001270118466 1098715536 /nfs/dbraw/zinc/71/55/36/1098715536.db2.gz POBVJLXGJAOZOP-FQEVSTJZSA-N 2 1 347.547 2.739 10 30 EFEEMP C=CCC[C@@H](C)[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001267934490 1098732359 /nfs/dbraw/zinc/73/23/59/1098732359.db2.gz YWDNDLRGVXFTQG-APWZRJJASA-N 2 1 329.488 2.841 10 30 EFEEMP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001267936146 1098743317 /nfs/dbraw/zinc/74/33/17/1098743317.db2.gz IJBYNNZWHPRRRJ-IBGZPJMESA-N 2 1 329.488 2.841 10 30 EFEEMP CCCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001267937413 1098751263 /nfs/dbraw/zinc/75/12/63/1098751263.db2.gz LBLNLSMMEYSFPO-RTBURBONSA-N 2 1 335.536 2.879 10 30 EFEEMP C=CCC[N@H+](C)CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001267758406 1098857819 /nfs/dbraw/zinc/85/78/19/1098857819.db2.gz MWRFIUZFPOWCOF-IBGZPJMESA-N 2 1 335.536 2.853 10 30 EFEEMP C#CCN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC[NH+](CC)CC1 ZINC001270315005 1098949177 /nfs/dbraw/zinc/94/91/77/1098949177.db2.gz CQIZLVWLUYKLLQ-GOSISDBHSA-N 2 1 345.531 2.587 10 30 EFEEMP C=CCCC[N@@H+]1CCC2(C1)CCN(C(=O)CC1CC[NH+](C)CC1)CC2 ZINC001270336922 1098977276 /nfs/dbraw/zinc/97/72/76/1098977276.db2.gz SUHUESDYURGMHG-UHFFFAOYSA-N 2 1 347.547 2.999 10 30 EFEEMP C#CC[NH2+]C[C@@H](NC(=O)C[N@H+](C)CCC)c1ccc2ccccc2c1 ZINC001270368411 1099014444 /nfs/dbraw/zinc/01/44/44/1099014444.db2.gz DYJKEJSFIKOBNH-HXUWFJFHSA-N 2 1 337.467 2.562 10 30 EFEEMP C#CC[NH+]1CCC2(C1)CCN(C(=O)CC[N@H+](C)C1CCCCC1)CC2 ZINC001267974094 1099033402 /nfs/dbraw/zinc/03/34/02/1099033402.db2.gz MSXLNIIYWCLNNF-UHFFFAOYSA-N 2 1 345.531 2.589 10 30 EFEEMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)C1CCCCC1)CC2 ZINC001267974094 1099033414 /nfs/dbraw/zinc/03/34/14/1099033414.db2.gz MSXLNIIYWCLNNF-UHFFFAOYSA-N 2 1 345.531 2.589 10 30 EFEEMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)C1CCCCC1)CC2 ZINC001267974094 1099033427 /nfs/dbraw/zinc/03/34/27/1099033427.db2.gz MSXLNIIYWCLNNF-UHFFFAOYSA-N 2 1 345.531 2.589 10 30 EFEEMP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C1CCCC1 ZINC001270443376 1099093834 /nfs/dbraw/zinc/09/38/34/1099093834.db2.gz SKROWSHJFZDMQK-RBUKOAKNSA-N 2 1 333.520 2.537 10 30 EFEEMP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[N@H+](C)CCC)C2 ZINC001270513027 1099164212 /nfs/dbraw/zinc/16/42/12/1099164212.db2.gz MYENQXWDALWIAQ-FQEVSTJZSA-N 2 1 335.536 2.999 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)CCC)C2 ZINC001270513027 1099164217 /nfs/dbraw/zinc/16/42/17/1099164217.db2.gz MYENQXWDALWIAQ-FQEVSTJZSA-N 2 1 335.536 2.999 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)CCC)C2 ZINC001270513027 1099164224 /nfs/dbraw/zinc/16/42/24/1099164224.db2.gz MYENQXWDALWIAQ-FQEVSTJZSA-N 2 1 335.536 2.999 10 30 EFEEMP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001481335097 1099351710 /nfs/dbraw/zinc/35/17/10/1099351710.db2.gz ONVWJLCVLQGJKV-PXNSSMCTSA-N 2 1 345.531 2.633 10 30 EFEEMP C#CCN1CCC[C@@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC001621068011 1099379555 /nfs/dbraw/zinc/37/95/55/1099379555.db2.gz XLEXULBBGUREQD-HXUWFJFHSA-N 2 1 327.516 2.832 10 30 EFEEMP C=C(Cl)C[N@H+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C(C)C ZINC001481349824 1099411142 /nfs/dbraw/zinc/41/11/42/1099411142.db2.gz BSRVWPLPCNJPCY-IRXDYDNUSA-N 2 1 341.927 2.973 10 30 EFEEMP C=C(Cl)C[NH+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C(C)C ZINC001481349824 1099411147 /nfs/dbraw/zinc/41/11/47/1099411147.db2.gz BSRVWPLPCNJPCY-IRXDYDNUSA-N 2 1 341.927 2.973 10 30 EFEEMP C=C(Cl)C[NH+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C(C)C ZINC001481349824 1099411151 /nfs/dbraw/zinc/41/11/51/1099411151.db2.gz BSRVWPLPCNJPCY-IRXDYDNUSA-N 2 1 341.927 2.973 10 30 EFEEMP C=CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CCCC1 ZINC001270784790 1099560313 /nfs/dbraw/zinc/56/03/13/1099560313.db2.gz DYDLXFHSBLRSJW-GOSISDBHSA-N 2 1 333.520 2.988 10 30 EFEEMP C=C(Cl)CN1CC[C@H](N(CCC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001481406831 1099651839 /nfs/dbraw/zinc/65/18/39/1099651839.db2.gz WTCRCNBCUFYSQM-ULQDDVLXSA-N 2 1 341.927 2.782 10 30 EFEEMP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C1CCCCC1 ZINC001482408845 1100053906 /nfs/dbraw/zinc/05/39/06/1100053906.db2.gz HQUWRUOBIRIQIE-PKOBYXMFSA-N 2 1 344.503 2.595 10 30 EFEEMP C=CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001270892453 1100138120 /nfs/dbraw/zinc/13/81/20/1100138120.db2.gz LQEQOFBSLVILAX-SFHVURJKSA-N 2 1 335.536 2.901 10 30 EFEEMP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001271017716 1100381371 /nfs/dbraw/zinc/38/13/71/1100381371.db2.gz VFEGVWZZDDBEIZ-PZJWPPBQSA-N 2 1 347.547 2.739 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC001638005901 1100824961 /nfs/dbraw/zinc/82/49/61/1100824961.db2.gz DFWFJTIKGALGPT-UHFFFAOYSA-N 2 1 343.515 2.962 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CCC1)C1CCCCC1 ZINC001271335348 1101401584 /nfs/dbraw/zinc/40/15/84/1101401584.db2.gz SHESRKKXAHRRQL-UXHICEINSA-N 2 1 345.531 2.539 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CCC1)C1CCCCC1 ZINC001271335348 1101401591 /nfs/dbraw/zinc/40/15/91/1101401591.db2.gz SHESRKKXAHRRQL-UXHICEINSA-N 2 1 345.531 2.539 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001266686322 1101893827 /nfs/dbraw/zinc/89/38/27/1101893827.db2.gz XHUXDPMXNPUGOB-OKZBNKHCSA-N 2 1 333.520 2.844 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001656109962 1101958935 /nfs/dbraw/zinc/95/89/35/1101958935.db2.gz VTMGPVDSDUSKMJ-RBUKOAKNSA-N 2 1 329.488 2.788 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001656109962 1101958941 /nfs/dbraw/zinc/95/89/41/1101958941.db2.gz VTMGPVDSDUSKMJ-RBUKOAKNSA-N 2 1 329.488 2.788 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001656109961 1101960502 /nfs/dbraw/zinc/96/05/02/1101960502.db2.gz VTMGPVDSDUSKMJ-OALUTQOASA-N 2 1 329.488 2.788 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001656109961 1101960511 /nfs/dbraw/zinc/96/05/11/1101960511.db2.gz VTMGPVDSDUSKMJ-OALUTQOASA-N 2 1 329.488 2.788 10 30 EFEEMP CCCCCCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001271458761 1101988677 /nfs/dbraw/zinc/98/86/77/1101988677.db2.gz PKTPOQHBBICEGC-FUHWJXTLSA-N 2 1 334.508 2.989 10 30 EFEEMP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001266735451 1102058119 /nfs/dbraw/zinc/05/81/19/1102058119.db2.gz OGBASVXWODLOOJ-GDAAHCPNSA-N 2 1 329.488 2.881 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001266755232 1102115444 /nfs/dbraw/zinc/11/54/44/1102115444.db2.gz NPPUAEORSKEIFA-ROUUACIJSA-N 2 1 333.520 2.798 10 30 EFEEMP CC#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001656619100 1102139476 /nfs/dbraw/zinc/13/94/76/1102139476.db2.gz YBPXYYOSKOABEC-IYWMVGAKSA-N 2 1 347.547 2.737 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001266760279 1102141837 /nfs/dbraw/zinc/14/18/37/1102141837.db2.gz BIFRMHGMQTYJBQ-APWZRJJASA-N 2 1 339.499 2.603 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001266760279 1102141846 /nfs/dbraw/zinc/14/18/46/1102141846.db2.gz BIFRMHGMQTYJBQ-APWZRJJASA-N 2 1 339.499 2.603 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001266760279 1102141857 /nfs/dbraw/zinc/14/18/57/1102141857.db2.gz BIFRMHGMQTYJBQ-APWZRJJASA-N 2 1 339.499 2.603 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001266760611 1102143784 /nfs/dbraw/zinc/14/37/84/1102143784.db2.gz JLEMSDOIIGUGBM-FQEVSTJZSA-N 2 1 343.515 2.565 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001266760611 1102143797 /nfs/dbraw/zinc/14/37/97/1102143797.db2.gz JLEMSDOIIGUGBM-FQEVSTJZSA-N 2 1 343.515 2.565 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001266760611 1102143808 /nfs/dbraw/zinc/14/38/08/1102143808.db2.gz JLEMSDOIIGUGBM-FQEVSTJZSA-N 2 1 343.515 2.565 10 30 EFEEMP C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001266459248 1102166393 /nfs/dbraw/zinc/16/63/93/1102166393.db2.gz MNYDTLZGALWDQG-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[NH+](C)C[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001266459248 1102166401 /nfs/dbraw/zinc/16/64/01/1102166401.db2.gz MNYDTLZGALWDQG-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[NH+](C)C[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001266459248 1102166406 /nfs/dbraw/zinc/16/64/06/1102166406.db2.gz MNYDTLZGALWDQG-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001266467691 1102192714 /nfs/dbraw/zinc/19/27/14/1102192714.db2.gz AZOGDFMYBQJKEY-ZWKOTPCHSA-N 2 1 333.520 2.798 10 30 EFEEMP CCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001266486595 1102244879 /nfs/dbraw/zinc/24/48/79/1102244879.db2.gz QBQHHUIKXOZYCM-AKHDSKFASA-N 2 1 335.536 2.972 10 30 EFEEMP CCCCCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266486595 1102244882 /nfs/dbraw/zinc/24/48/82/1102244882.db2.gz QBQHHUIKXOZYCM-AKHDSKFASA-N 2 1 335.536 2.972 10 30 EFEEMP CCCCCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001266486595 1102244889 /nfs/dbraw/zinc/24/48/89/1102244889.db2.gz QBQHHUIKXOZYCM-AKHDSKFASA-N 2 1 335.536 2.972 10 30 EFEEMP C=CC[N@H+](CC1CC[NH+](C)CC1)[C@H](Cc1ccccc1)C(=O)OCC ZINC001658867200 1102493621 /nfs/dbraw/zinc/49/36/21/1102493621.db2.gz SHQUZZUHXDVRFU-HXUWFJFHSA-N 2 1 344.499 2.991 10 30 EFEEMP C=CC[N@@H+](CC1CC[NH+](C)CC1)[C@H](Cc1ccccc1)C(=O)OCC ZINC001658867200 1102493626 /nfs/dbraw/zinc/49/36/26/1102493626.db2.gz SHQUZZUHXDVRFU-HXUWFJFHSA-N 2 1 344.499 2.991 10 30 EFEEMP C=CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001271737515 1102545310 /nfs/dbraw/zinc/54/53/10/1102545310.db2.gz AUDYVKWTRSADTH-ICSRJNTNSA-N 2 1 343.515 2.564 10 30 EFEEMP C#CC[N@H+](C)CCC[NH2+]C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001659900310 1102577529 /nfs/dbraw/zinc/57/75/29/1102577529.db2.gz HEHVOTWHBBBDHS-LJQANCHMSA-N 2 1 337.508 2.568 10 30 EFEEMP C#CC[N@@H+](C)CCC[NH2+]C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001659900310 1102577536 /nfs/dbraw/zinc/57/75/36/1102577536.db2.gz HEHVOTWHBBBDHS-LJQANCHMSA-N 2 1 337.508 2.568 10 30 EFEEMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001271749822 1102586620 /nfs/dbraw/zinc/58/66/20/1102586620.db2.gz IJYHOYRIIJUCBQ-AKHDSKFASA-N 2 1 333.520 2.654 10 30 EFEEMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001271749822 1102586632 /nfs/dbraw/zinc/58/66/32/1102586632.db2.gz IJYHOYRIIJUCBQ-AKHDSKFASA-N 2 1 333.520 2.654 10 30 EFEEMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001271749822 1102586638 /nfs/dbraw/zinc/58/66/38/1102586638.db2.gz IJYHOYRIIJUCBQ-AKHDSKFASA-N 2 1 333.520 2.654 10 30 EFEEMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCCC[NH+]1CCCC1)C2 ZINC001271749362 1102589153 /nfs/dbraw/zinc/58/91/53/1102589153.db2.gz CRSLWNWLCCSRTF-ACDBMABISA-N 2 1 345.531 2.635 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001266896355 1102627254 /nfs/dbraw/zinc/62/72/54/1102627254.db2.gz ZSZXUGOEASVISK-MJGOQNOKSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001271766334 1102628050 /nfs/dbraw/zinc/62/80/50/1102628050.db2.gz MWAUTUSEWYIAPV-IEBWSBKVSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[C@@H](C)[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001271766334 1102628058 /nfs/dbraw/zinc/62/80/58/1102628058.db2.gz MWAUTUSEWYIAPV-IEBWSBKVSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[C@@H](C)[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001271766334 1102628065 /nfs/dbraw/zinc/62/80/65/1102628065.db2.gz MWAUTUSEWYIAPV-IEBWSBKVSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[NH+]1CC[C@H](CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001266545259 1102656825 /nfs/dbraw/zinc/65/68/25/1102656825.db2.gz OJXXPHIKUYYCBS-IEBWSBKVSA-N 2 1 329.488 2.694 10 30 EFEEMP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001266545259 1102656831 /nfs/dbraw/zinc/65/68/31/1102656831.db2.gz OJXXPHIKUYYCBS-IEBWSBKVSA-N 2 1 329.488 2.694 10 30 EFEEMP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001266545259 1102656835 /nfs/dbraw/zinc/65/68/35/1102656835.db2.gz OJXXPHIKUYYCBS-IEBWSBKVSA-N 2 1 329.488 2.694 10 30 EFEEMP C=CC[N@H+](C)CCC1CCN(C(=O)Cn2ccnc2C(C)C)CC1 ZINC001271784215 1102669729 /nfs/dbraw/zinc/66/97/29/1102669729.db2.gz INUQLLFSLDEZJI-UHFFFAOYSA-N 2 1 332.492 2.753 10 30 EFEEMP C=CC[N@@H+](C)CCC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001271784215 1102669741 /nfs/dbraw/zinc/66/97/41/1102669741.db2.gz INUQLLFSLDEZJI-UHFFFAOYSA-N 2 1 332.492 2.753 10 30 EFEEMP C=CC[N@H+](C)CCC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001271784215 1102669750 /nfs/dbraw/zinc/66/97/50/1102669750.db2.gz INUQLLFSLDEZJI-UHFFFAOYSA-N 2 1 332.492 2.753 10 30 EFEEMP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001271789371 1102684661 /nfs/dbraw/zinc/68/46/61/1102684661.db2.gz CATNCOGXNVMYRK-BJLQDIEVSA-N 2 1 343.515 2.988 10 30 EFEEMP C=C(C)CC[N@@H+](C)CCC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001271790194 1102685863 /nfs/dbraw/zinc/68/58/63/1102685863.db2.gz HUYHMKCMCFMWNE-LJQANCHMSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)CC[NH+](C)CCC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001271790194 1102685870 /nfs/dbraw/zinc/68/58/70/1102685870.db2.gz HUYHMKCMCFMWNE-LJQANCHMSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)CC[NH+](C)CCC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001271790194 1102685879 /nfs/dbraw/zinc/68/58/79/1102685879.db2.gz HUYHMKCMCFMWNE-LJQANCHMSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001671298634 1102730901 /nfs/dbraw/zinc/73/09/01/1102730901.db2.gz XXVKUHFRUFYQQK-SJORKVTESA-N 2 1 332.492 2.943 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001671298632 1102731109 /nfs/dbraw/zinc/73/11/09/1102731109.db2.gz XXVKUHFRUFYQQK-IAGOWNOFSA-N 2 1 332.492 2.943 10 30 EFEEMP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001661066991 1103106968 /nfs/dbraw/zinc/10/69/68/1103106968.db2.gz TXJFAFFLIDPJLT-ROUUACIJSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001661069493 1103112256 /nfs/dbraw/zinc/11/22/56/1103112256.db2.gz XFIWRCMCIYRBBZ-SFHVURJKSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCCC[NH2+][C@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001661168617 1103156568 /nfs/dbraw/zinc/15/65/68/1103156568.db2.gz PXRLRRZRKYSDRU-APWZRJJASA-N 2 1 339.499 2.650 10 30 EFEEMP C=CCCC[NH2+][C@@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001661168619 1103156815 /nfs/dbraw/zinc/15/68/15/1103156815.db2.gz PXRLRRZRKYSDRU-QFBILLFUSA-N 2 1 339.499 2.650 10 30 EFEEMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001661346260 1103238691 /nfs/dbraw/zinc/23/86/91/1103238691.db2.gz YNGKXWJRGCNIKO-ROUUACIJSA-N 2 1 344.503 2.691 10 30 EFEEMP C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001661482385 1103278830 /nfs/dbraw/zinc/27/88/30/1103278830.db2.gz KODRRINOIKMIDP-MKXGPGLRSA-N 2 1 333.520 2.987 10 30 EFEEMP C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001661482384 1103278911 /nfs/dbraw/zinc/27/89/11/1103278911.db2.gz KODRRINOIKMIDP-CADBVGFASA-N 2 1 333.520 2.987 10 30 EFEEMP C=CCCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001661722979 1103380281 /nfs/dbraw/zinc/38/02/81/1103380281.db2.gz FRJZRKSDDOZDSX-OALUTQOASA-N 2 1 335.536 2.901 10 30 EFEEMP 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1105565479 /nfs/dbraw/zinc/56/54/79/1105565479.db2.gz WKYHBCYINQIBBG-OALUTQOASA-N 2 1 329.488 2.569 10 30 EFEEMP C#CCN(C(=O)Cn1cc[nH+]c1C)C1CC[NH+](CCCC(C)C)CC1 ZINC001671507567 1105647965 /nfs/dbraw/zinc/64/79/65/1105647965.db2.gz DVLQPDOIALMMDQ-UHFFFAOYSA-N 2 1 344.503 2.554 10 30 EFEEMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccc2ccccc2c1 ZINC001671512112 1105648716 /nfs/dbraw/zinc/64/87/16/1105648716.db2.gz APJGZFBONBDZRT-RTWAWAEBSA-N 2 1 349.478 2.704 10 30 EFEEMP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)c1ccc2ccccc2c1 ZINC001671513280 1105649801 /nfs/dbraw/zinc/64/98/01/1105649801.db2.gz WUJDXUNYTDSRQC-LEWJYISDSA-N 2 1 349.478 2.704 10 30 EFEEMP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001671891952 1105722686 /nfs/dbraw/zinc/72/26/86/1105722686.db2.gz IVYSBHZDVIQVNW-OAQYLSRUSA-N 2 1 347.547 2.881 10 30 EFEEMP CC#CC[NH+]1CCC[C@](C)(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001671891952 1105722690 /nfs/dbraw/zinc/72/26/90/1105722690.db2.gz IVYSBHZDVIQVNW-OAQYLSRUSA-N 2 1 347.547 2.881 10 30 EFEEMP CC#CC[NH+]1CCC[C@](C)(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001671891952 1105722694 /nfs/dbraw/zinc/72/26/94/1105722694.db2.gz IVYSBHZDVIQVNW-OAQYLSRUSA-N 2 1 347.547 2.881 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001671916152 1105730059 /nfs/dbraw/zinc/73/00/59/1105730059.db2.gz FRRPQDVMHFDYCR-TZIWHRDSSA-N 2 1 347.547 2.739 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@@](C)(CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001671916758 1105731673 /nfs/dbraw/zinc/73/16/73/1105731673.db2.gz QMEZKFJMOUKMRX-NRFANRHFSA-N 2 1 343.515 2.913 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@@](C)(CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001671916758 1105731679 /nfs/dbraw/zinc/73/16/79/1105731679.db2.gz QMEZKFJMOUKMRX-NRFANRHFSA-N 2 1 343.515 2.913 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001671916758 1105731687 /nfs/dbraw/zinc/73/16/87/1105731687.db2.gz QMEZKFJMOUKMRX-NRFANRHFSA-N 2 1 343.515 2.913 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001671916758 1105731692 /nfs/dbraw/zinc/73/16/92/1105731692.db2.gz QMEZKFJMOUKMRX-NRFANRHFSA-N 2 1 343.515 2.913 10 30 EFEEMP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001672377496 1105817267 /nfs/dbraw/zinc/81/72/67/1105817267.db2.gz WMSYRKOOMKJODN-VAMGGRTRSA-N 2 1 347.547 2.785 10 30 EFEEMP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001672400507 1105823935 /nfs/dbraw/zinc/82/39/35/1105823935.db2.gz GGRHTUMUKTZMJF-OAQYLSRUSA-N 2 1 349.478 2.541 10 30 EFEEMP CC#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001672400740 1105825136 /nfs/dbraw/zinc/82/51/36/1105825136.db2.gz PVKNHKCYNDVTOB-HXUWFJFHSA-N 2 1 341.499 2.503 10 30 EFEEMP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@H]2C1 ZINC001672416336 1105827172 /nfs/dbraw/zinc/82/71/72/1105827172.db2.gz GTJOGEZTMMZFCG-OKZBNKHCSA-N 2 1 344.503 2.753 10 30 EFEEMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@H]2C1 ZINC001672416336 1105827177 /nfs/dbraw/zinc/82/71/77/1105827177.db2.gz GTJOGEZTMMZFCG-OKZBNKHCSA-N 2 1 344.503 2.753 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCC[NH+]1CCCC1 ZINC001672543785 1105868152 /nfs/dbraw/zinc/86/81/52/1105868152.db2.gz QJGPDSRTKCESMT-OALUTQOASA-N 2 1 333.520 2.894 10 30 EFEEMP C#CC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001672929351 1105941455 /nfs/dbraw/zinc/94/14/55/1105941455.db2.gz FBIGINBDLOTDEV-HXUWFJFHSA-N 2 1 341.499 2.631 10 30 EFEEMP C#CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001672929351 1105941458 /nfs/dbraw/zinc/94/14/58/1105941458.db2.gz FBIGINBDLOTDEV-HXUWFJFHSA-N 2 1 341.499 2.631 10 30 EFEEMP C#CC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001672929351 1105941462 /nfs/dbraw/zinc/94/14/62/1105941462.db2.gz FBIGINBDLOTDEV-HXUWFJFHSA-N 2 1 341.499 2.631 10 30 EFEEMP C=C(C)CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001672947952 1105947425 /nfs/dbraw/zinc/94/74/25/1105947425.db2.gz QSOPSBRMJCWQBH-VQIMIIECSA-N 2 1 329.488 2.871 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001672979167 1105953179 /nfs/dbraw/zinc/95/31/79/1105953179.db2.gz TUMXKEJZPAHJPA-VJANTYMQSA-N 2 1 335.536 2.948 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCCCC)CC1 ZINC001673381035 1106011098 /nfs/dbraw/zinc/01/10/98/1106011098.db2.gz PZEUEICAZBWQAC-MOPGFXCFSA-N 2 1 333.520 2.635 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCCCCC)CC1 ZINC001673381035 1106011101 /nfs/dbraw/zinc/01/11/01/1106011101.db2.gz PZEUEICAZBWQAC-MOPGFXCFSA-N 2 1 333.520 2.635 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCCCC)CC1 ZINC001673381035 1106011104 /nfs/dbraw/zinc/01/11/04/1106011104.db2.gz PZEUEICAZBWQAC-MOPGFXCFSA-N 2 1 333.520 2.635 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCCCC)CC1 ZINC001673381035 1106011108 /nfs/dbraw/zinc/01/11/08/1106011108.db2.gz PZEUEICAZBWQAC-MOPGFXCFSA-N 2 1 333.520 2.635 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001673496359 1106033952 /nfs/dbraw/zinc/03/39/52/1106033952.db2.gz KUZLZGFEIZOZLW-UXHICEINSA-N 2 1 347.547 2.835 10 30 EFEEMP C=CC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001673495704 1106034371 /nfs/dbraw/zinc/03/43/71/1106034371.db2.gz BPIYALAICLYDKG-RTBURBONSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001673495704 1106034377 /nfs/dbraw/zinc/03/43/77/1106034377.db2.gz BPIYALAICLYDKG-RTBURBONSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001673495704 1106034383 /nfs/dbraw/zinc/03/43/83/1106034383.db2.gz BPIYALAICLYDKG-RTBURBONSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001673495702 1106034466 /nfs/dbraw/zinc/03/44/66/1106034466.db2.gz BPIYALAICLYDKG-OALUTQOASA-N 2 1 335.536 2.855 10 30 EFEEMP C=CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001673495702 1106034471 /nfs/dbraw/zinc/03/44/71/1106034471.db2.gz BPIYALAICLYDKG-OALUTQOASA-N 2 1 335.536 2.855 10 30 EFEEMP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001673495702 1106034478 /nfs/dbraw/zinc/03/44/78/1106034478.db2.gz BPIYALAICLYDKG-OALUTQOASA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001673496494 1106035767 /nfs/dbraw/zinc/03/57/67/1106035767.db2.gz NDPORCJSDXAAKL-MOPGFXCFSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001673496494 1106035773 /nfs/dbraw/zinc/03/57/73/1106035773.db2.gz NDPORCJSDXAAKL-MOPGFXCFSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001673496494 1106035778 /nfs/dbraw/zinc/03/57/78/1106035778.db2.gz NDPORCJSDXAAKL-MOPGFXCFSA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)CCCC[NH+](C)C)cc2C1 ZINC001673769427 1106084586 /nfs/dbraw/zinc/08/45/86/1106084586.db2.gz KDUYFBVWBXDEBD-UHFFFAOYSA-N 2 1 329.488 2.926 10 30 EFEEMP C=CCCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001673986299 1106114063 /nfs/dbraw/zinc/11/40/63/1106114063.db2.gz XAKLUEDZEDRXFK-ZWKOTPCHSA-N 2 1 333.520 2.940 10 30 EFEEMP C#CCC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001674348257 1106175332 /nfs/dbraw/zinc/17/53/32/1106175332.db2.gz RVBYZTPVBJKDGO-FQEVSTJZSA-N 2 1 347.547 2.692 10 30 EFEEMP C#CCC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001674348257 1106175334 /nfs/dbraw/zinc/17/53/34/1106175334.db2.gz RVBYZTPVBJKDGO-FQEVSTJZSA-N 2 1 347.547 2.692 10 30 EFEEMP C#CCC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001674348257 1106175337 /nfs/dbraw/zinc/17/53/37/1106175337.db2.gz RVBYZTPVBJKDGO-FQEVSTJZSA-N 2 1 347.547 2.692 10 30 EFEEMP C=CCCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001674429739 1106188040 /nfs/dbraw/zinc/18/80/40/1106188040.db2.gz UJPAVXWSSQIXER-LDQXTDLNSA-N 2 1 341.499 2.666 10 30 EFEEMP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001674429698 1106188143 /nfs/dbraw/zinc/18/81/43/1106188143.db2.gz SOSIIRDJJRBCLF-UYAOXDASSA-N 2 1 338.455 2.530 10 30 EFEEMP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001674479892 1106201229 /nfs/dbraw/zinc/20/12/29/1106201229.db2.gz ACWBBHCWGQVMOO-FQEVSTJZSA-N 2 1 343.515 2.903 10 30 EFEEMP C=C(C)CC[NH2+][C@@H](CCN(C)C(=O)[C@@]12CC[N@@H+](C1)CCC2)C(C)C ZINC001675140503 1106307693 /nfs/dbraw/zinc/30/76/93/1106307693.db2.gz QERFUMUSXMSBAL-ICSRJNTNSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)C(C)(C)C1 ZINC001675473939 1106368654 /nfs/dbraw/zinc/36/86/54/1106368654.db2.gz SYWHJQZOGUXYMG-QGZVFWFLSA-N 2 1 332.492 2.765 10 30 EFEEMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)C(C)(C)C1 ZINC001675473939 1106368660 /nfs/dbraw/zinc/36/86/60/1106368660.db2.gz SYWHJQZOGUXYMG-QGZVFWFLSA-N 2 1 332.492 2.765 10 30 EFEEMP C#CCC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001675899940 1106442410 /nfs/dbraw/zinc/44/24/10/1106442410.db2.gz YTWNLGBZDLNBIL-MSOLQXFVSA-N 2 1 333.520 2.539 10 30 EFEEMP C=CC[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC001676158350 1106493269 /nfs/dbraw/zinc/49/32/69/1106493269.db2.gz ADJAZOSZNYTFLT-IEBWSBKVSA-N 2 1 335.536 2.948 10 30 EFEEMP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC001676692434 1106559470 /nfs/dbraw/zinc/55/94/70/1106559470.db2.gz DXIPPLSKSXIPGB-PKOBYXMFSA-N 2 1 329.488 2.664 10 30 EFEEMP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC001676692434 1106559473 /nfs/dbraw/zinc/55/94/73/1106559473.db2.gz DXIPPLSKSXIPGB-PKOBYXMFSA-N 2 1 329.488 2.664 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC001676839199 1106601470 /nfs/dbraw/zinc/60/14/70/1106601470.db2.gz ZSAKRGGTKJCGPX-QXAKKESOSA-N 2 1 333.520 2.654 10 30 EFEEMP CC#CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H]1C ZINC001676879083 1106614462 /nfs/dbraw/zinc/61/44/62/1106614462.db2.gz KNHGPVMOVSFGEV-PKOBYXMFSA-N 2 1 333.520 2.633 10 30 EFEEMP CC#CC[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H]1C ZINC001676879083 1106614465 /nfs/dbraw/zinc/61/44/65/1106614465.db2.gz KNHGPVMOVSFGEV-PKOBYXMFSA-N 2 1 333.520 2.633 10 30 EFEEMP CC#CC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H]1C ZINC001676879083 1106614469 /nfs/dbraw/zinc/61/44/69/1106614469.db2.gz KNHGPVMOVSFGEV-PKOBYXMFSA-N 2 1 333.520 2.633 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001676887391 1106616370 /nfs/dbraw/zinc/61/63/70/1106616370.db2.gz OIXVEZWTCBMCCB-AEFFLSMTSA-N 2 1 332.492 2.907 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001676887391 1106616373 /nfs/dbraw/zinc/61/63/73/1106616373.db2.gz OIXVEZWTCBMCCB-AEFFLSMTSA-N 2 1 332.492 2.907 10 30 EFEEMP C#CCC[NH2+][C@H]1CN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1(C)C ZINC001677032839 1106653590 /nfs/dbraw/zinc/65/35/90/1106653590.db2.gz MHASAVNJZFFUTL-RBUKOAKNSA-N 2 1 341.499 2.529 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC/C=C/CC)C(C)(C)C ZINC001677258168 1106685590 /nfs/dbraw/zinc/68/55/90/1106685590.db2.gz SOXJCXWMALJYQD-CWDJHMJFSA-N 2 1 333.520 2.561 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC/C=C/CC)C(C)(C)C ZINC001677258168 1106685592 /nfs/dbraw/zinc/68/55/92/1106685592.db2.gz SOXJCXWMALJYQD-CWDJHMJFSA-N 2 1 333.520 2.561 10 30 EFEEMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001677335283 1106700634 /nfs/dbraw/zinc/70/06/34/1106700634.db2.gz UREAETNSYRMEGJ-GOSISDBHSA-N 2 1 347.547 2.881 10 30 EFEEMP C=CCC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)CCC)CC[C@@H]1C(F)(F)F ZINC001677376641 1106710391 /nfs/dbraw/zinc/71/03/91/1106710391.db2.gz XXCMDTXRQMPIKI-GJZGRUSLSA-N 2 1 349.441 2.663 10 30 EFEEMP C=CCCCCC[NH2+]C1CC(N(C)C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001677441618 1106718029 /nfs/dbraw/zinc/71/80/29/1106718029.db2.gz ORKOHNGHRJCKSO-QLOJAFMTSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001483652763 1107024345 /nfs/dbraw/zinc/02/43/45/1107024345.db2.gz IMAAVEPDJIPRJF-GDBMZVCRSA-N 2 1 335.517 2.969 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001483652763 1107024359 /nfs/dbraw/zinc/02/43/59/1107024359.db2.gz IMAAVEPDJIPRJF-GDBMZVCRSA-N 2 1 335.517 2.969 10 30 EFEEMP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001409289239 1109388202 /nfs/dbraw/zinc/38/82/02/1109388202.db2.gz QIUMKUNSDFGDKM-VJFUWPCTSA-N 2 1 349.906 2.916 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001483800410 1112459674 /nfs/dbraw/zinc/45/96/74/1112459674.db2.gz YVWAZYKVWZNDNR-IBGZPJMESA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001483798451 1112461137 /nfs/dbraw/zinc/46/11/37/1112461137.db2.gz GLRGYDXAIKNMKW-IBGZPJMESA-N 2 1 333.520 2.609 10 30 EFEEMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001483817448 1112468039 /nfs/dbraw/zinc/46/80/39/1112468039.db2.gz MTUSJMRNTSQRDB-UHFFFAOYSA-N 2 1 333.520 2.607 10 30 EFEEMP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001483805208 1112473282 /nfs/dbraw/zinc/47/32/82/1112473282.db2.gz ZOBGXERTOAHLQN-RAFMOHDBSA-N 2 1 345.531 2.632 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CCC[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001483834003 1112494967 /nfs/dbraw/zinc/49/49/67/1112494967.db2.gz UBJGEWHNMNLLLT-GHTZIAJQSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001483835147 1112496716 /nfs/dbraw/zinc/49/67/16/1112496716.db2.gz NPNSAICUJNMFCF-SFHVURJKSA-N 2 1 333.520 2.751 10 30 EFEEMP C#CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C1CC[NH+](CCCC)CC1 ZINC001483983534 1112628474 /nfs/dbraw/zinc/62/84/74/1112628474.db2.gz FCWPOOUCSBGYEP-QUCCMNQESA-N 2 1 345.531 2.730 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001484173463 1112866798 /nfs/dbraw/zinc/86/67/98/1112866798.db2.gz FUTMYEWDTINPGP-FUHWJXTLSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001484173463 1112866803 /nfs/dbraw/zinc/86/68/03/1112866803.db2.gz FUTMYEWDTINPGP-FUHWJXTLSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001484173463 1112866805 /nfs/dbraw/zinc/86/68/05/1112866805.db2.gz FUTMYEWDTINPGP-FUHWJXTLSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001484173463 1112866810 /nfs/dbraw/zinc/86/68/10/1112866810.db2.gz FUTMYEWDTINPGP-FUHWJXTLSA-N 2 1 341.927 2.832 10 30 EFEEMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)CN(C)Cc2ccccc2)C1 ZINC001484174655 1112888233 /nfs/dbraw/zinc/88/82/33/1112888233.db2.gz MJPRTQHSHKOSFL-FQEVSTJZSA-N 2 1 329.488 2.523 10 30 EFEEMP C=CC[NH+]1CCC[C@@](C)(CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001484174655 1112888237 /nfs/dbraw/zinc/88/82/37/1112888237.db2.gz MJPRTQHSHKOSFL-FQEVSTJZSA-N 2 1 329.488 2.523 10 30 EFEEMP C=CC[NH+]1CCC[C@@](C)(CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001484174655 1112888241 /nfs/dbraw/zinc/88/82/41/1112888241.db2.gz MJPRTQHSHKOSFL-FQEVSTJZSA-N 2 1 329.488 2.523 10 30 EFEEMP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001484174655 1112888244 /nfs/dbraw/zinc/88/82/44/1112888244.db2.gz MJPRTQHSHKOSFL-FQEVSTJZSA-N 2 1 329.488 2.523 10 30 EFEEMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001484174655 1112888247 /nfs/dbraw/zinc/88/82/47/1112888247.db2.gz MJPRTQHSHKOSFL-FQEVSTJZSA-N 2 1 329.488 2.523 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001484175108 1112889359 /nfs/dbraw/zinc/88/93/59/1112889359.db2.gz TWSGYEQYDGKHRF-OAQYLSRUSA-N 2 1 347.547 2.903 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001484175086 1112889813 /nfs/dbraw/zinc/88/98/13/1112889813.db2.gz TWSGYEQYDGKHRF-NRFANRHFSA-N 2 1 347.547 2.903 10 30 EFEEMP C=CCCCCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001484175935 1112890676 /nfs/dbraw/zinc/89/06/76/1112890676.db2.gz QNUHHDJCIDYJIZ-QUCCMNQESA-N 2 1 335.536 2.903 10 30 EFEEMP C=CCCCCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001484175935 1112890681 /nfs/dbraw/zinc/89/06/81/1112890681.db2.gz QNUHHDJCIDYJIZ-QUCCMNQESA-N 2 1 335.536 2.903 10 30 EFEEMP C=CCCCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001484175935 1112890685 /nfs/dbraw/zinc/89/06/85/1112890685.db2.gz QNUHHDJCIDYJIZ-QUCCMNQESA-N 2 1 335.536 2.903 10 30 EFEEMP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001484548695 1113001464 /nfs/dbraw/zinc/00/14/64/1113001464.db2.gz XTXJEPIYLZMLKI-UYAOXDASSA-N 2 1 341.499 2.531 10 30 EFEEMP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001484558486 1113012513 /nfs/dbraw/zinc/01/25/13/1113012513.db2.gz HHXFOPGULYGEGI-XLIONFOSSA-N 2 1 341.499 2.850 10 30 EFEEMP C=CCC[C@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001484570459 1113029166 /nfs/dbraw/zinc/02/91/66/1113029166.db2.gz SRWKOMUIJSWXBU-SZMVWBNQSA-N 2 1 332.492 2.811 10 30 EFEEMP C=CCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001484581204 1113034373 /nfs/dbraw/zinc/03/43/73/1113034373.db2.gz BGZDMHFVPXPHEC-SFHVURJKSA-N 2 1 333.520 2.609 10 30 EFEEMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001484575454 1113040271 /nfs/dbraw/zinc/04/02/71/1113040271.db2.gz VJXXXGHWTPILAV-MISYRCLQSA-N 2 1 341.499 2.577 10 30 EFEEMP C=C(C)C[N@@H+]1CCc2c(CNC(=O)CCC[NH+](C)C)cccc2C1 ZINC001484612454 1113054642 /nfs/dbraw/zinc/05/46/42/1113054642.db2.gz DJBJEIZLAIXAFR-UHFFFAOYSA-N 2 1 329.488 2.579 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001484829117 1117747075 /nfs/dbraw/zinc/74/70/75/1117747075.db2.gz DSQIRWCDMNKCIX-IBGZPJMESA-N 2 1 333.520 2.609 10 30 EFEEMP C=C(C)CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001484924746 1117828168 /nfs/dbraw/zinc/82/81/68/1117828168.db2.gz VXSFFWZYMINJRG-ZWKOTPCHSA-N 2 1 333.520 2.940 10 30 EFEEMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001484943913 1117871628 /nfs/dbraw/zinc/87/16/28/1117871628.db2.gz ZGYDKEVHMUMJGA-RBUKOAKNSA-N 2 1 341.499 2.529 10 30 EFEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001484943913 1117871634 /nfs/dbraw/zinc/87/16/34/1117871634.db2.gz ZGYDKEVHMUMJGA-RBUKOAKNSA-N 2 1 341.499 2.529 10 30 EFEEMP C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001485003552 1117931715 /nfs/dbraw/zinc/93/17/15/1117931715.db2.gz CHFLDBWLQFDWCC-OALUTQOASA-N 2 1 347.478 2.568 10 30 EFEEMP C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001485003552 1117931719 /nfs/dbraw/zinc/93/17/19/1117931719.db2.gz CHFLDBWLQFDWCC-OALUTQOASA-N 2 1 347.478 2.568 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001485029192 1117954452 /nfs/dbraw/zinc/95/44/52/1117954452.db2.gz KHWFGTITDHXNLD-HKUYNNGSSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[C@H](C)[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001485029192 1117954454 /nfs/dbraw/zinc/95/44/54/1117954454.db2.gz KHWFGTITDHXNLD-HKUYNNGSSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[C@H](C)[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001485029192 1117954457 /nfs/dbraw/zinc/95/44/57/1117954457.db2.gz KHWFGTITDHXNLD-HKUYNNGSSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001485031658 1117956726 /nfs/dbraw/zinc/95/67/26/1117956726.db2.gz CVKSNOBYMRZKIU-UHFFFAOYSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001485031872 1117957182 /nfs/dbraw/zinc/95/71/82/1117957182.db2.gz VBRRTJFZERDBKB-HXUWFJFHSA-N 2 1 347.547 2.855 10 30 EFEEMP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001485039461 1117972615 /nfs/dbraw/zinc/97/26/15/1117972615.db2.gz CJXMTTYLJINZFV-MSOLQXFVSA-N 2 1 344.503 2.691 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC/C=C/CCC ZINC001485059531 1117998887 /nfs/dbraw/zinc/99/88/87/1117998887.db2.gz JHVYPHZYTFNEGA-CLJKYYQGSA-N 2 1 345.531 2.753 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC/C=C/CCC ZINC001485059531 1117998892 /nfs/dbraw/zinc/99/88/92/1117998892.db2.gz JHVYPHZYTFNEGA-CLJKYYQGSA-N 2 1 345.531 2.753 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC/C=C/CCC ZINC001485059531 1117998896 /nfs/dbraw/zinc/99/88/96/1117998896.db2.gz JHVYPHZYTFNEGA-CLJKYYQGSA-N 2 1 345.531 2.753 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC/C=C/CCC ZINC001485059531 1117998900 /nfs/dbraw/zinc/99/89/00/1117998900.db2.gz JHVYPHZYTFNEGA-CLJKYYQGSA-N 2 1 345.531 2.753 10 30 EFEEMP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)c1ccc(-n2ccnc2)cc1 ZINC001485062008 1118003596 /nfs/dbraw/zinc/00/35/96/1118003596.db2.gz WIESGCYDHHTRLU-LJQANCHMSA-N 2 1 338.455 2.985 10 30 EFEEMP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001485243138 1118174881 /nfs/dbraw/zinc/17/48/81/1118174881.db2.gz GXOCOIVQRGMDIS-MHJFOBGBSA-N 2 1 341.499 2.672 10 30 EFEEMP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001485243139 1118175083 /nfs/dbraw/zinc/17/50/83/1118175083.db2.gz GXOCOIVQRGMDIS-SOAGJPPSSA-N 2 1 341.499 2.672 10 30 EFEEMP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001485260790 1118179899 /nfs/dbraw/zinc/17/98/99/1118179899.db2.gz QRDSFOKKPFYDLA-IBGZPJMESA-N 2 1 341.515 2.849 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001485439681 1118352164 /nfs/dbraw/zinc/35/21/64/1118352164.db2.gz JCIQYSMLAYVODZ-HZPDHXFCSA-N 2 1 329.916 2.543 10 30 EFEEMP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001485467053 1118376530 /nfs/dbraw/zinc/37/65/30/1118376530.db2.gz YXCFDEQRGPGYKO-MJGOQNOKSA-N 2 1 333.520 2.681 10 30 EFEEMP CCCCCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001485601748 1118479490 /nfs/dbraw/zinc/47/94/90/1118479490.db2.gz ROQVBBMXPAITED-NNIGNNQHSA-N 2 1 335.536 2.591 10 30 EFEEMP CCCCCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001485601748 1118479491 /nfs/dbraw/zinc/47/94/91/1118479491.db2.gz ROQVBBMXPAITED-NNIGNNQHSA-N 2 1 335.536 2.591 10 30 EFEEMP CCCCCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001485601748 1118479493 /nfs/dbraw/zinc/47/94/93/1118479493.db2.gz ROQVBBMXPAITED-NNIGNNQHSA-N 2 1 335.536 2.591 10 30 EFEEMP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001485740152 1118552551 /nfs/dbraw/zinc/55/25/51/1118552551.db2.gz IBYVCKSCFABAAY-HZPDHXFCSA-N 2 1 329.916 2.876 10 30 EFEEMP C=C(C)CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001485764174 1118576240 /nfs/dbraw/zinc/57/62/40/1118576240.db2.gz YAZRFDDUOLVLKV-QGZVFWFLSA-N 2 1 344.503 2.643 10 30 EFEEMP C=C(C)CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001485764174 1118576242 /nfs/dbraw/zinc/57/62/42/1118576242.db2.gz YAZRFDDUOLVLKV-QGZVFWFLSA-N 2 1 344.503 2.643 10 30 EFEEMP C#CC[NH2+]CCCN(Cc1ccccc1)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001485768411 1118581089 /nfs/dbraw/zinc/58/10/89/1118581089.db2.gz NQSWCCJQWMWSIW-KDURUIRLSA-N 2 1 341.499 2.501 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]([NH2+]CC1CCCCC1)C(C)C ZINC001485785276 1118592048 /nfs/dbraw/zinc/59/20/48/1118592048.db2.gz WTBANBJJPPQCRH-UXHICEINSA-N 2 1 347.547 2.785 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]([NH2+]CC1CCCCC1)C(C)C ZINC001485785276 1118592052 /nfs/dbraw/zinc/59/20/52/1118592052.db2.gz WTBANBJJPPQCRH-UXHICEINSA-N 2 1 347.547 2.785 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]([NH2+]CC1CC(C)(C)C1)C(C)C ZINC001485785050 1118592111 /nfs/dbraw/zinc/59/21/11/1118592111.db2.gz MMRWCTCDTMJCQJ-MOPGFXCFSA-N 2 1 347.547 2.641 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]([NH2+]CC1CC(C)(C)C1)C(C)C ZINC001485785050 1118592112 /nfs/dbraw/zinc/59/21/12/1118592112.db2.gz MMRWCTCDTMJCQJ-MOPGFXCFSA-N 2 1 347.547 2.641 10 30 EFEEMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940800535 1118633967 /nfs/dbraw/zinc/63/39/67/1118633967.db2.gz BZVSKDHTPKZNES-RBUKOAKNSA-N 2 1 345.531 2.633 10 30 EFEEMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000940800535 1118633969 /nfs/dbraw/zinc/63/39/69/1118633969.db2.gz BZVSKDHTPKZNES-RBUKOAKNSA-N 2 1 345.531 2.633 10 30 EFEEMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940800535 1118633971 /nfs/dbraw/zinc/63/39/71/1118633971.db2.gz BZVSKDHTPKZNES-RBUKOAKNSA-N 2 1 345.531 2.633 10 30 EFEEMP C=CC[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000941027080 1118658073 /nfs/dbraw/zinc/65/80/73/1118658073.db2.gz RRGGUVXNLSNAJK-KXBFYZLASA-N 2 1 339.499 2.602 10 30 EFEEMP C=CC[N@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000941027080 1118658075 /nfs/dbraw/zinc/65/80/75/1118658075.db2.gz RRGGUVXNLSNAJK-KXBFYZLASA-N 2 1 339.499 2.602 10 30 EFEEMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000941027080 1118658077 /nfs/dbraw/zinc/65/80/77/1118658077.db2.gz RRGGUVXNLSNAJK-KXBFYZLASA-N 2 1 339.499 2.602 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C(C)(C)C1 ZINC000941042111 1118663705 /nfs/dbraw/zinc/66/37/05/1118663705.db2.gz WPSHNEPMZFFHOM-NUJGCVRESA-N 2 1 344.503 2.707 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC=C(C)C)CC2(C)C)CC1 ZINC000941238222 1118695568 /nfs/dbraw/zinc/69/55/68/1118695568.db2.gz VGBSYESDFWEEGF-IBGZPJMESA-N 2 1 345.531 2.515 10 30 EFEEMP C[N@@H+](CCNC(=[NH2+])N[C@@H]1CCOc2ccccc21)C1CCCCC1 ZINC000262478925 240356037 /nfs/dbraw/zinc/35/60/37/240356037.db2.gz HRNFRZRVFZGGCT-QGZVFWFLSA-N 2 1 330.476 2.679 10 30 EFEEMP C[NH+]=C(NCc1nccc2ccccc21)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000245629688 240257265 /nfs/dbraw/zinc/25/72/65/240257265.db2.gz PRGDKUVISVZKNK-DNVCBOLYSA-N 2 1 339.487 2.629 10 30 EFEEMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000328981415 241281820 /nfs/dbraw/zinc/28/18/20/241281820.db2.gz DQZSSLWNVSRKEA-CGTJXYLNSA-N 2 1 347.507 2.634 10 30 EFEEMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000328981415 241281825 /nfs/dbraw/zinc/28/18/25/241281825.db2.gz DQZSSLWNVSRKEA-CGTJXYLNSA-N 2 1 347.507 2.634 10 30 EFEEMP C=CCOc1ccccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000355214373 242022935 /nfs/dbraw/zinc/02/29/35/242022935.db2.gz AISNIGVBQWVZRP-NLWGTHIKSA-N 2 1 330.472 2.935 10 30 EFEEMP C=CCOc1ccccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000355214373 242022940 /nfs/dbraw/zinc/02/29/40/242022940.db2.gz AISNIGVBQWVZRP-NLWGTHIKSA-N 2 1 330.472 2.935 10 30 EFEEMP C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000118398840 221145806 /nfs/dbraw/zinc/14/58/06/221145806.db2.gz RIJWRHUWRYCLQV-YLJYHZDGSA-N 2 1 326.488 2.721 10 30 EFEEMP C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000118398840 221145809 /nfs/dbraw/zinc/14/58/09/221145809.db2.gz RIJWRHUWRYCLQV-YLJYHZDGSA-N 2 1 326.488 2.721 10 30 EFEEMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000118398830 221145950 /nfs/dbraw/zinc/14/59/50/221145950.db2.gz RIJWRHUWRYCLQV-PXNSSMCTSA-N 2 1 326.488 2.721 10 30 EFEEMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000118398830 221145952 /nfs/dbraw/zinc/14/59/52/221145952.db2.gz RIJWRHUWRYCLQV-PXNSSMCTSA-N 2 1 326.488 2.721 10 30 EFEEMP C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000342767333 145188218 /nfs/dbraw/zinc/18/82/18/145188218.db2.gz ALUBDPPAUIPMNW-NVXWUHKLSA-N 2 1 337.471 2.949 10 30 EFEEMP C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000342767333 145188219 /nfs/dbraw/zinc/18/82/19/145188219.db2.gz ALUBDPPAUIPMNW-NVXWUHKLSA-N 2 1 337.471 2.949 10 30 EFEEMP CC[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(C#N)cc1 ZINC000423518528 267220071 /nfs/dbraw/zinc/22/00/71/267220071.db2.gz ZYWMZBANKKUYLW-MHJFOBGBSA-N 2 1 326.488 2.815 10 30 EFEEMP C=CCCC[N@H+](C)[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000121059185 472791003 /nfs/dbraw/zinc/79/10/03/472791003.db2.gz WIRAUPRMJGVFRQ-IEBWSBKVSA-N 2 1 329.488 2.664 10 30 EFEEMP C=CCCC[NH+](C)[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000121059185 472791006 /nfs/dbraw/zinc/79/10/06/472791006.db2.gz WIRAUPRMJGVFRQ-IEBWSBKVSA-N 2 1 329.488 2.664 10 30 EFEEMP C=CCCC[NH+](C)[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000121059185 472791011 /nfs/dbraw/zinc/79/10/11/472791011.db2.gz WIRAUPRMJGVFRQ-IEBWSBKVSA-N 2 1 329.488 2.664 10 30 EFEEMP C=CCCC[N@H+](C)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000121059520 472791419 /nfs/dbraw/zinc/79/14/19/472791419.db2.gz WIRAUPRMJGVFRQ-MJGOQNOKSA-N 2 1 329.488 2.664 10 30 EFEEMP C=CCCC[NH+](C)[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000121059520 472791425 /nfs/dbraw/zinc/79/14/25/472791425.db2.gz WIRAUPRMJGVFRQ-MJGOQNOKSA-N 2 1 329.488 2.664 10 30 EFEEMP C=CCCC[NH+](C)[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000121059520 472791431 /nfs/dbraw/zinc/79/14/31/472791431.db2.gz WIRAUPRMJGVFRQ-MJGOQNOKSA-N 2 1 329.488 2.664 10 30 EFEEMP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@H+](C)C2CCCCC2)CC1 ZINC000106336915 472841171 /nfs/dbraw/zinc/84/11/71/472841171.db2.gz IWUHNASDGOZORB-UHFFFAOYSA-N 2 1 336.524 2.591 10 30 EFEEMP C[NH+]=C(NCc1cc(C(C)C)no1)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000080893743 473096811 /nfs/dbraw/zinc/09/68/11/473096811.db2.gz OACFMQYHSHIORP-OAHLLOKOSA-N 2 1 335.496 2.583 10 30 EFEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000178746485 473553823 /nfs/dbraw/zinc/55/38/23/473553823.db2.gz IMMDOWYNXUSLAU-SFHVURJKSA-N 2 1 337.427 2.556 10 30 EFEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000178746485 473553825 /nfs/dbraw/zinc/55/38/25/473553825.db2.gz IMMDOWYNXUSLAU-SFHVURJKSA-N 2 1 337.427 2.556 10 30 EFEEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC#Cc2cccc(Cl)c2)CC1 ZINC000178973610 473603286 /nfs/dbraw/zinc/60/32/86/473603286.db2.gz BMLISPNYSYDIJO-INIZCTEOSA-N 2 1 334.891 2.716 10 30 EFEEMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2sccc2C#N)[C@@H](C)C1 ZINC000246428236 473860498 /nfs/dbraw/zinc/86/04/98/473860498.db2.gz CLLXXJAYKHUBLN-DZGCQCFKSA-N 2 1 334.489 2.610 10 30 EFEEMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2sccc2C#N)[C@@H](C)C1 ZINC000246428236 473860502 /nfs/dbraw/zinc/86/05/02/473860502.db2.gz CLLXXJAYKHUBLN-DZGCQCFKSA-N 2 1 334.489 2.610 10 30 EFEEMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2sccc2C#N)[C@@H](C)C1 ZINC000246428236 473860509 /nfs/dbraw/zinc/86/05/09/473860509.db2.gz CLLXXJAYKHUBLN-DZGCQCFKSA-N 2 1 334.489 2.610 10 30 EFEEMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)cc1 ZINC000183684401 474412164 /nfs/dbraw/zinc/41/21/64/474412164.db2.gz GJOWPIBHOVRIQQ-CABCVRRESA-N 2 1 339.443 2.592 10 30 EFEEMP C[C@H](c1cccc(C#N)c1)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000248963062 474492642 /nfs/dbraw/zinc/49/26/42/474492642.db2.gz RILBTTWRFFLUDF-YLJYHZDGSA-N 2 1 326.488 2.721 10 30 EFEEMP C[C@H](c1cccc(C#N)c1)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000248963062 474492647 /nfs/dbraw/zinc/49/26/47/474492647.db2.gz RILBTTWRFFLUDF-YLJYHZDGSA-N 2 1 326.488 2.721 10 30 EFEEMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc(C#N)cc2OC)[C@@H](C)C1 ZINC000245432883 474585487 /nfs/dbraw/zinc/58/54/87/474585487.db2.gz OVSKANFWJQHHFB-DOTOQJQBSA-N 2 1 331.460 2.608 10 30 EFEEMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc(C#N)cc2OC)[C@@H](C)C1 ZINC000245432883 474585489 /nfs/dbraw/zinc/58/54/89/474585489.db2.gz OVSKANFWJQHHFB-DOTOQJQBSA-N 2 1 331.460 2.608 10 30 EFEEMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc(C#N)cc2OC)[C@@H](C)C1 ZINC000245432883 474585491 /nfs/dbraw/zinc/58/54/91/474585491.db2.gz OVSKANFWJQHHFB-DOTOQJQBSA-N 2 1 331.460 2.608 10 30 EFEEMP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000594440655 478389499 /nfs/dbraw/zinc/38/94/99/478389499.db2.gz HKBQMAPLXIVNBO-SFHVURJKSA-N 2 1 334.508 2.512 10 30 EFEEMP CC[C@@H]1CN(C(=O)[C@H]([NH3+])CCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000594447251 478394690 /nfs/dbraw/zinc/39/46/90/478394690.db2.gz WLEQWSGMJMHEOB-RTBURBONSA-N 2 1 342.487 2.521 10 30 EFEEMP CC[C@@H]1CN(C(=O)[C@H]([NH3+])CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000594447251 478394697 /nfs/dbraw/zinc/39/46/97/478394697.db2.gz WLEQWSGMJMHEOB-RTBURBONSA-N 2 1 342.487 2.521 10 30 EFEEMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000600721950 478485834 /nfs/dbraw/zinc/48/58/34/478485834.db2.gz DARBHZQETGQEHT-VQIMIIECSA-N 2 1 327.472 2.856 10 30 EFEEMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594924115 478587672 /nfs/dbraw/zinc/58/76/72/478587672.db2.gz HIGTUHPBGWFAFC-UHFFFAOYSA-N 2 1 340.515 2.749 10 30 EFEEMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(C#N)cc1 ZINC000595067646 478649385 /nfs/dbraw/zinc/64/93/85/478649385.db2.gz HQNSROQLRZARFQ-KKSFZXQISA-N 2 1 335.451 2.976 10 30 EFEEMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc(C#N)c1 ZINC000595069885 478651095 /nfs/dbraw/zinc/65/10/95/478651095.db2.gz LWKJMWLAYUOZDB-KKSFZXQISA-N 2 1 335.451 2.976 10 30 EFEEMP N#CC1(C[C@H](O)C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000528501268 478806006 /nfs/dbraw/zinc/80/60/06/478806006.db2.gz CYLWGQLIOKZZDN-PZJWPPBQSA-N 2 1 339.483 2.639 10 30 EFEEMP N#CC1(C[C@H](O)C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000528501268 478806015 /nfs/dbraw/zinc/80/60/15/478806015.db2.gz CYLWGQLIOKZZDN-PZJWPPBQSA-N 2 1 339.483 2.639 10 30 EFEEMP N#CC1(C[C@H](O)C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000528501268 478806024 /nfs/dbraw/zinc/80/60/24/478806024.db2.gz CYLWGQLIOKZZDN-PZJWPPBQSA-N 2 1 339.483 2.639 10 30 EFEEMP C=CC[NH+](CC=C)[C@@H](CNC(=O)Cn1c[nH+]c2c1CCCC2)C(C)C ZINC000573021018 478975483 /nfs/dbraw/zinc/97/54/83/478975483.db2.gz HSNSIVCYHQJUOE-IBGZPJMESA-N 2 1 344.503 2.577 10 30 EFEEMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000599364686 479270925 /nfs/dbraw/zinc/27/09/25/479270925.db2.gz ZSJHTCSEOFVCPN-BWPNAZKDSA-N 2 1 341.499 2.787 10 30 EFEEMP Cc1ccc(CN(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000599379780 479276780 /nfs/dbraw/zinc/27/67/80/479276780.db2.gz SZTXIGPXBYHPJZ-JOCHJYFZSA-N 2 1 349.478 2.936 10 30 EFEEMP Cc1ccc(C[N@@H+](C)C[C@]2(O)CCN(Cc3ccccc3)C2)cc1C#N ZINC000599379780 479276783 /nfs/dbraw/zinc/27/67/83/479276783.db2.gz SZTXIGPXBYHPJZ-JOCHJYFZSA-N 2 1 349.478 2.936 10 30 EFEEMP Cc1ccc(C[N@H+](C)C[C@]2(O)CCN(Cc3ccccc3)C2)cc1C#N ZINC000599379780 479276788 /nfs/dbraw/zinc/27/67/88/479276788.db2.gz SZTXIGPXBYHPJZ-JOCHJYFZSA-N 2 1 349.478 2.936 10 30 EFEEMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000599402119 479285023 /nfs/dbraw/zinc/28/50/23/479285023.db2.gz JEDDLVJRHZGVGC-MOPGFXCFSA-N 2 1 341.499 2.931 10 30 EFEEMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000599402119 479285027 /nfs/dbraw/zinc/28/50/27/479285027.db2.gz JEDDLVJRHZGVGC-MOPGFXCFSA-N 2 1 341.499 2.931 10 30 EFEEMP C[NH+](C)CCC[N@H+](C)CCNc1cccc(Br)c1C#N ZINC000596425603 479290810 /nfs/dbraw/zinc/29/08/10/479290810.db2.gz RXTSJDZXOYRGFO-UHFFFAOYSA-N 2 1 339.281 2.616 10 30 EFEEMP C[NH+](C)CCC[N@@H+](C)CCNc1cccc(Br)c1C#N ZINC000596425603 479290813 /nfs/dbraw/zinc/29/08/13/479290813.db2.gz RXTSJDZXOYRGFO-UHFFFAOYSA-N 2 1 339.281 2.616 10 30 EFEEMP N#CCN1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000611526602 479406137 /nfs/dbraw/zinc/40/61/37/479406137.db2.gz WLNPOXRLPIEHOE-WKCHPHFGSA-N 2 1 338.499 2.760 10 30 EFEEMP CN(CCC[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1)CC[NH+](C)C ZINC000588977357 479465718 /nfs/dbraw/zinc/46/57/18/479465718.db2.gz XNUPBDVYGNLLIV-UHFFFAOYSA-N 2 1 330.520 2.803 10 30 EFEEMP C=CC[C@@]1(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CCC[NH2+]1 ZINC000662693128 481936763 /nfs/dbraw/zinc/93/67/63/481936763.db2.gz ZYBHQNRSDGKLRF-FQEVSTJZSA-N 2 1 333.520 2.799 10 30 EFEEMP C=CC[C@]1(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CCC[NH2+]1 ZINC000662697950 481940261 /nfs/dbraw/zinc/94/02/61/481940261.db2.gz FOFJVNGADOVEKI-QWFCFKBJSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CC[C@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCC[NH2+]1 ZINC000662719035 481946267 /nfs/dbraw/zinc/94/62/67/481946267.db2.gz VLBDWYIWPPUWMI-SLYNCCJLSA-N 2 1 341.499 2.854 10 30 EFEEMP C=CC[C@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCC[NH2+]1 ZINC000662719036 481947047 /nfs/dbraw/zinc/94/70/47/481947047.db2.gz VLBDWYIWPPUWMI-YFVAEKQCSA-N 2 1 341.499 2.854 10 30 EFEEMP C=CC[C@]1(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000662750705 481957897 /nfs/dbraw/zinc/95/78/97/481957897.db2.gz DPRQCCACSZOUQX-FXAWDEMLSA-N 2 1 329.488 2.712 10 30 EFEEMP C=CC[C@]1(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000662748850 481958877 /nfs/dbraw/zinc/95/88/77/481958877.db2.gz DQYGUUBGDQCKTC-WIYYLYMNSA-N 2 1 341.499 2.808 10 30 EFEEMP C=CC[C@]1(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)CCC[NH2+]1 ZINC000662797057 481973778 /nfs/dbraw/zinc/97/37/78/481973778.db2.gz GDWALVOSUHCIEA-ZIFCJYIRSA-N 2 1 347.890 2.900 10 30 EFEEMP C=CC[C@]1(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)CCC[NH2+]1 ZINC000662797057 481973781 /nfs/dbraw/zinc/97/37/81/481973781.db2.gz GDWALVOSUHCIEA-ZIFCJYIRSA-N 2 1 347.890 2.900 10 30 EFEEMP C=CCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000355207521 534883417 /nfs/dbraw/zinc/88/34/17/534883417.db2.gz ODOQIPIXUBQUQK-MISYRCLQSA-N 2 1 330.472 2.935 10 30 EFEEMP C=CCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000355207521 534883418 /nfs/dbraw/zinc/88/34/18/534883418.db2.gz ODOQIPIXUBQUQK-MISYRCLQSA-N 2 1 330.472 2.935 10 30 EFEEMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171649908 527635808 /nfs/dbraw/zinc/63/58/08/527635808.db2.gz CWEOLDUYOLIAKZ-ZWKOTPCHSA-N 2 1 342.487 2.713 10 30 EFEEMP CC[NH+]=C(NCc1sc(C)nc1C)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158475294 528820243 /nfs/dbraw/zinc/82/02/43/528820243.db2.gz FDEUFAUAIMGDCF-SWLSCSKDSA-N 2 1 337.537 2.544 10 30 EFEEMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000343567373 535496772 /nfs/dbraw/zinc/49/67/72/535496772.db2.gz NKEBDJVDCAAVRN-UHFFFAOYSA-N 2 1 328.460 2.551 10 30 EFEEMP C[NH+]1CCN(c2ccc(C=[NH+]NCc3ccc(F)cc3F)cc2)CC1 ZINC000771562499 581222987 /nfs/dbraw/zinc/22/29/87/581222987.db2.gz FVWBGADNHHGMHW-UHFFFAOYSA-N 2 1 344.409 2.840 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001691409921 1248748854 /nfs/dbraw/zinc/74/88/54/1248748854.db2.gz JJVFBDGQKJZQAR-PXNSSMCTSA-N 2 1 347.547 2.996 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)[C@@H]21 ZINC001691920237 1248824924 /nfs/dbraw/zinc/82/49/24/1248824924.db2.gz UMZLDMKPWOYMRH-BHIYHBOVSA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@@H]2[C@@H](NC(=O)CC[N@H+](C)CCC)C(C)(C)[C@@H]21 ZINC001691428993 1248883919 /nfs/dbraw/zinc/88/39/19/1248883919.db2.gz SXYGYMOSKSSQPH-BHIYHBOVSA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)CCC)C(C)(C)[C@@H]21 ZINC001691428993 1248883927 /nfs/dbraw/zinc/88/39/27/1248883927.db2.gz SXYGYMOSKSSQPH-BHIYHBOVSA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)CCC)C(C)(C)[C@@H]21 ZINC001691428993 1248883936 /nfs/dbraw/zinc/88/39/36/1248883936.db2.gz SXYGYMOSKSSQPH-BHIYHBOVSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)CC(C)(C)C1 ZINC001750946580 1249026873 /nfs/dbraw/zinc/02/68/73/1249026873.db2.gz HKNYNXQTMHSXOF-DLBZAZTESA-N 2 1 341.515 2.849 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001772517263 1247946172 /nfs/dbraw/zinc/94/61/72/1247946172.db2.gz FBHGKJYKOCCJNC-MUGJNUQGSA-N 2 1 347.547 2.783 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001772517263 1247946183 /nfs/dbraw/zinc/94/61/83/1247946183.db2.gz FBHGKJYKOCCJNC-MUGJNUQGSA-N 2 1 347.547 2.783 10 30 EFEEMP C=C(C)CC[N@H+](C)CC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001772541995 1248275157 /nfs/dbraw/zinc/27/51/57/1248275157.db2.gz KEKQOBZZIXDXBE-ROUUACIJSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)CC[N@H+](C)CCCN(C)C(=O)Cc1cn2c(n1)CCCC2 ZINC001772542013 1248276502 /nfs/dbraw/zinc/27/65/02/1248276502.db2.gz OWSCRAUZRXIPPB-UHFFFAOYSA-N 2 1 332.492 2.508 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC)[C@H](C)c2ccccc2)CC1 ZINC001691056071 1248313775 /nfs/dbraw/zinc/31/37/75/1248313775.db2.gz LUULVBQJIZJBRP-GOSISDBHSA-N 2 1 341.499 2.531 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001691061067 1248327184 /nfs/dbraw/zinc/32/71/84/1248327184.db2.gz CJWWEUKDRCLAHZ-SJORKVTESA-N 2 1 332.492 2.894 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001691061067 1248327193 /nfs/dbraw/zinc/32/71/93/1248327193.db2.gz CJWWEUKDRCLAHZ-SJORKVTESA-N 2 1 332.492 2.894 10 30 EFEEMP C=CCCC[NH+](CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001691226310 1248552299 /nfs/dbraw/zinc/55/22/99/1248552299.db2.gz WRGNQVFUUFAYFK-LJQANCHMSA-N 2 1 339.499 2.746 10 30 EFEEMP C=CCCC[N@@H+](CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C1CC1 ZINC001691226310 1248552308 /nfs/dbraw/zinc/55/23/08/1248552308.db2.gz WRGNQVFUUFAYFK-LJQANCHMSA-N 2 1 339.499 2.746 10 30 EFEEMP C=CCCC[N@H+](CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C1CC1 ZINC001691226310 1248552321 /nfs/dbraw/zinc/55/23/21/1248552321.db2.gz WRGNQVFUUFAYFK-LJQANCHMSA-N 2 1 339.499 2.746 10 30 EFEEMP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001691236059 1248559474 /nfs/dbraw/zinc/55/94/74/1248559474.db2.gz XZPNEAXSUQYWBC-DLBZAZTESA-N 2 1 333.520 2.537 10 30 EFEEMP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001691247041 1248568842 /nfs/dbraw/zinc/56/88/42/1248568842.db2.gz IICFXZLLTDDFBF-OKZBNKHCSA-N 2 1 344.503 2.595 10 30 EFEEMP C=CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001691305130 1248636004 /nfs/dbraw/zinc/63/60/04/1248636004.db2.gz JGOYGQFCACCKHD-FUHWJXTLSA-N 2 1 332.492 2.765 10 30 EFEEMP C=CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001691305132 1248636926 /nfs/dbraw/zinc/63/69/26/1248636926.db2.gz JGOYGQFCACCKHD-WMZOPIPTSA-N 2 1 332.492 2.765 10 30 EFEEMP C=CCCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001691557225 1251769996 /nfs/dbraw/zinc/76/99/96/1251769996.db2.gz SPNGQEWJSRANAQ-VQTJNVASSA-N 2 1 341.499 2.633 10 30 EFEEMP C=CCC[C@H](C)[NH2+][C@@H]1CCCCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001691637281 1251975232 /nfs/dbraw/zinc/97/52/32/1251975232.db2.gz XJAKYAOFZTWQIY-FUHWJXTLSA-N 2 1 332.492 2.907 10 30 EFEEMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001484388849 1252512421 /nfs/dbraw/zinc/51/24/21/1252512421.db2.gz MNYATZFXIOTZHN-ZJPYXAASSA-N 2 1 344.503 2.942 10 30 EFEEMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001484388849 1252512431 /nfs/dbraw/zinc/51/24/31/1252512431.db2.gz MNYATZFXIOTZHN-ZJPYXAASSA-N 2 1 344.503 2.942 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@H]2C1 ZINC001484414998 1252569257 /nfs/dbraw/zinc/56/92/57/1252569257.db2.gz JSXNPHAVPUGIFZ-YRXWBPOGSA-N 2 1 333.520 2.606 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@H]2C1 ZINC001484414998 1252569263 /nfs/dbraw/zinc/56/92/63/1252569263.db2.gz JSXNPHAVPUGIFZ-YRXWBPOGSA-N 2 1 333.520 2.606 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@H]2C1 ZINC001484414998 1252569265 /nfs/dbraw/zinc/56/92/65/1252569265.db2.gz JSXNPHAVPUGIFZ-YRXWBPOGSA-N 2 1 333.520 2.606 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001484770599 1252936586 /nfs/dbraw/zinc/93/65/86/1252936586.db2.gz HJABQXDALXGCNZ-MOPGFXCFSA-N 2 1 347.547 2.855 10 30 EFEEMP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001484770241 1252938132 /nfs/dbraw/zinc/93/81/32/1252938132.db2.gz BBRYAMIDKNDSRM-VQTJNVASSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001484771443 1252939468 /nfs/dbraw/zinc/93/94/68/1252939468.db2.gz CMLNJSIEWRODIU-RBUKOAKNSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001484771442 1252941657 /nfs/dbraw/zinc/94/16/57/1252941657.db2.gz CMLNJSIEWRODIU-OALUTQOASA-N 2 1 347.547 2.997 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001485824093 1255323539 /nfs/dbraw/zinc/32/35/39/1255323539.db2.gz GYISGBNIMVJJIY-IRXDYDNUSA-N 2 1 341.927 2.688 10 30 EFEEMP CC[NH+]1CCN(CCCC[NH2+]Cc2c(C)cc(C#N)cc2C)CC1 ZINC000921528260 1257022646 /nfs/dbraw/zinc/02/26/46/1257022646.db2.gz SCLGXNTZOIRCIJ-UHFFFAOYSA-N 2 1 328.504 2.682 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001670922566 1258674062 /nfs/dbraw/zinc/67/40/62/1258674062.db2.gz DGTNADZIEUSJSR-ZWKOTPCHSA-N 2 1 333.520 2.607 10 30 EFEEMP C#CC[N@H+](CCNC(=O)CCC[NH+]1CCCC1)C1CCCCCC1 ZINC001670980025 1259277870 /nfs/dbraw/zinc/27/78/70/1259277870.db2.gz FDFDFZZQRPJXCF-UHFFFAOYSA-N 2 1 333.520 2.637 10 30 EFEEMP C=CCCC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001670985358 1259316026 /nfs/dbraw/zinc/31/60/26/1259316026.db2.gz QFJRWOYKQYJPPC-YLJYHZDGSA-N 2 1 347.547 2.996 10 30 EFEEMP C=CCCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001670985358 1259316036 /nfs/dbraw/zinc/31/60/36/1259316036.db2.gz QFJRWOYKQYJPPC-YLJYHZDGSA-N 2 1 347.547 2.996 10 30 EFEEMP C=CCCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001670985358 1259316044 /nfs/dbraw/zinc/31/60/44/1259316044.db2.gz QFJRWOYKQYJPPC-YLJYHZDGSA-N 2 1 347.547 2.996 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001671038555 1259820705 /nfs/dbraw/zinc/82/07/05/1259820705.db2.gz DTIHHROTLQPARH-PKOBYXMFSA-N 2 1 339.499 2.557 10 30 EFEEMP C#CCC[NH2+]C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C(C)(C)C ZINC001486404090 1263054572 /nfs/dbraw/zinc/05/45/72/1263054572.db2.gz XVRIOJTXFITCLT-QGZVFWFLSA-N 2 1 335.536 2.783 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C(C)(C)C ZINC001486422543 1263072816 /nfs/dbraw/zinc/07/28/16/1263072816.db2.gz BFZWZJDNAPCRLJ-HUUCEWRRSA-N 2 1 329.916 2.734 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCC([C@@H](C)NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001486441568 1263153187 /nfs/dbraw/zinc/15/31/87/1263153187.db2.gz NOMXNHGJZZTLNZ-JKSUJKDBSA-N 2 1 332.492 2.763 10 30 EFEEMP C=CCC[NH2+]C1CC(N(C)C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001486480817 1263215741 /nfs/dbraw/zinc/21/57/41/1263215741.db2.gz OVYFJCJDGXDSMX-ACBHZAAOSA-N 2 1 329.488 2.835 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCC(C2(NC(=O)Cn3c[nH+]cc3C)CC2)CC1 ZINC001486489601 1263232324 /nfs/dbraw/zinc/23/23/24/1263232324.db2.gz QGVGNVAUBPYSLU-INIZCTEOSA-N 2 1 344.503 2.907 10 30 EFEEMP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)c(F)c1 ZINC001486524803 1263328768 /nfs/dbraw/zinc/32/87/68/1263328768.db2.gz NQSRCABETYZKIC-GOSISDBHSA-N 2 1 333.451 2.592 10 30 EFEEMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)c(F)c1 ZINC001486525530 1263330507 /nfs/dbraw/zinc/33/05/07/1263330507.db2.gz NGYPWTYQAJOBHL-MJGOQNOKSA-N 2 1 345.462 2.734 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCC2(CCN(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001671055797 1266801866 /nfs/dbraw/zinc/80/18/66/1266801866.db2.gz YKBPPGNSQMRGJL-KRWDZBQOSA-N 2 1 344.503 2.861 10 30 EFEEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCC1=NNCC[NH+]1CCCCC1 ZINC000734365130 1266954757 /nfs/dbraw/zinc/95/47/57/1266954757.db2.gz CCYYPWCCABJDRL-GOSISDBHSA-N 2 1 328.504 2.960 10 30 EFEEMP C#CCOc1ccc([C@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000817983757 1276420339 /nfs/dbraw/zinc/42/03/39/1276420339.db2.gz PRPHDBPBCAHHNC-KKXNLOMOSA-N 2 1 341.499 2.566 10 30 EFEEMP C#CCOc1ccc([C@@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000817983758 1276421854 /nfs/dbraw/zinc/42/18/54/1276421854.db2.gz PRPHDBPBCAHHNC-QHGAOEGBSA-N 2 1 341.499 2.566 10 30 EFEEMP C=CCCn1cc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)nn1 ZINC000872156098 1287451692 /nfs/dbraw/zinc/45/16/92/1287451692.db2.gz DTVSAXCVJPABSO-APWZRJJASA-N 2 1 331.508 2.974 10 30 EFEEMP C=CCCn1cc(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)nn1 ZINC000872156098 1287451700 /nfs/dbraw/zinc/45/17/00/1287451700.db2.gz DTVSAXCVJPABSO-APWZRJJASA-N 2 1 331.508 2.974 10 30 EFEEMP N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000903460674 1312715246 /nfs/dbraw/zinc/71/52/46/1312715246.db2.gz HMTMAORTQPWLEO-RYQLBKOJSA-N 2 1 333.863 2.930 10 30 EFEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000876753145 1291007964 /nfs/dbraw/zinc/00/79/64/1291007964.db2.gz BDDVZQXDYSHPCW-PVAVHDDUSA-N 2 1 335.879 2.626 10 30 EFEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000876903154 1291065885 /nfs/dbraw/zinc/06/58/85/1291065885.db2.gz RKSXVVZEWDWDMZ-SZMVWBNQSA-N 2 1 349.906 2.873 10 30 EFEEMP C=CC[C@H](C(=O)OC)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000878337102 1291633000 /nfs/dbraw/zinc/63/30/00/1291633000.db2.gz BVOZUGHJNQJJHB-GOSISDBHSA-N 2 1 331.460 2.738 10 30 EFEEMP C=CCC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001273599024 1292116137 /nfs/dbraw/zinc/11/61/37/1292116137.db2.gz MSFZZGJKDOSMTL-RBUKOAKNSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001273599024 1292116139 /nfs/dbraw/zinc/11/61/39/1292116139.db2.gz MSFZZGJKDOSMTL-RBUKOAKNSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001273599024 1292116140 /nfs/dbraw/zinc/11/61/40/1292116140.db2.gz MSFZZGJKDOSMTL-RBUKOAKNSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CC)CC1 ZINC001273599554 1292116815 /nfs/dbraw/zinc/11/68/15/1292116815.db2.gz SSDRUCXCHNOPJW-HDICACEKSA-N 2 1 333.520 2.748 10 30 EFEEMP C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CC)CC1 ZINC001273599554 1292116819 /nfs/dbraw/zinc/11/68/19/1292116819.db2.gz SSDRUCXCHNOPJW-HDICACEKSA-N 2 1 333.520 2.748 10 30 EFEEMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001276335490 1292829667 /nfs/dbraw/zinc/82/96/67/1292829667.db2.gz WZDHSAZWWNIXHK-LJQANCHMSA-N 2 1 333.520 2.637 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCC2CCCC2)CC1 ZINC001274344987 1296070378 /nfs/dbraw/zinc/07/03/78/1296070378.db2.gz KSNCXIUHHBELIX-IBGZPJMESA-N 2 1 345.531 2.635 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCC2CCCC2)CC1 ZINC001274344987 1296070393 /nfs/dbraw/zinc/07/03/93/1296070393.db2.gz KSNCXIUHHBELIX-IBGZPJMESA-N 2 1 345.531 2.635 10 30 EFEEMP C=CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001273833692 1296245438 /nfs/dbraw/zinc/24/54/38/1296245438.db2.gz QFNPRNGWJACPOC-FPOVZHCZSA-N 2 1 345.531 2.609 10 30 EFEEMP C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903887064 1313352218 /nfs/dbraw/zinc/35/22/18/1313352218.db2.gz XAWZZDMAVGEVGK-GOSISDBHSA-N 2 1 342.487 2.543 10 30 EFEEMP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000930136582 1297236946 /nfs/dbraw/zinc/23/69/46/1297236946.db2.gz NWJDWJOGUYFKML-GHTZIAJQSA-N 2 1 340.515 2.633 10 30 EFEEMP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000930136584 1297237209 /nfs/dbraw/zinc/23/72/09/1297237209.db2.gz NWJDWJOGUYFKML-RXVVDRJESA-N 2 1 340.515 2.633 10 30 EFEEMP C=C(Cl)CN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC[N@H+](C)CC ZINC001489087359 1298008097 /nfs/dbraw/zinc/00/80/97/1298008097.db2.gz QKBZNFDUKXCMTP-HYVNUMGLSA-N 2 1 341.927 2.686 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC[N@@H+](C)CC ZINC001489087359 1298008108 /nfs/dbraw/zinc/00/81/08/1298008108.db2.gz QKBZNFDUKXCMTP-HYVNUMGLSA-N 2 1 341.927 2.686 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC[N@H+](C)CC ZINC001489087359 1298008120 /nfs/dbraw/zinc/00/81/20/1298008120.db2.gz QKBZNFDUKXCMTP-HYVNUMGLSA-N 2 1 341.927 2.686 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC[NH+](C)CC ZINC001489087359 1298008132 /nfs/dbraw/zinc/00/81/32/1298008132.db2.gz QKBZNFDUKXCMTP-HYVNUMGLSA-N 2 1 341.927 2.686 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC[NH+](C)CC ZINC001489087359 1298008146 /nfs/dbraw/zinc/00/81/46/1298008146.db2.gz QKBZNFDUKXCMTP-HYVNUMGLSA-N 2 1 341.927 2.686 10 30 EFEEMP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@H]2C1 ZINC001489199213 1298112043 /nfs/dbraw/zinc/11/20/43/1298112043.db2.gz BBKMCFXPMXFTNU-AABGKKOBSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@H]2C1 ZINC001489199213 1298112048 /nfs/dbraw/zinc/11/20/48/1298112048.db2.gz BBKMCFXPMXFTNU-AABGKKOBSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@H]2C1 ZINC001489199213 1298112054 /nfs/dbraw/zinc/11/20/54/1298112054.db2.gz BBKMCFXPMXFTNU-AABGKKOBSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001489203257 1298117136 /nfs/dbraw/zinc/11/71/36/1298117136.db2.gz ZTQSCUYQGJXZGI-AQNXPRMDSA-N 2 1 347.547 2.997 10 30 EFEEMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC(C)(C)C1 ZINC001489349296 1298205554 /nfs/dbraw/zinc/20/55/54/1298205554.db2.gz FKXXICQHRQFNPT-OALUTQOASA-N 2 1 347.547 2.737 10 30 EFEEMP C=CCOc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1 ZINC000903980482 1313530771 /nfs/dbraw/zinc/53/07/71/1313530771.db2.gz STUMAVLKQOEZBO-BGYRXZFFSA-N 2 1 341.499 2.652 10 30 EFEEMP C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001490441458 1298866528 /nfs/dbraw/zinc/86/65/28/1298866528.db2.gz CZRDMQUFYQYODJ-GOSISDBHSA-N 2 1 333.520 2.942 10 30 EFEEMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001490758767 1299199330 /nfs/dbraw/zinc/19/93/30/1299199330.db2.gz MEIHEQCCTBBHQF-HNNXBMFYSA-N 2 1 335.517 2.780 10 30 EFEEMP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001490777453 1299244785 /nfs/dbraw/zinc/24/47/85/1299244785.db2.gz PVGYCIHNBFBHRP-OALUTQOASA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001490777456 1299245268 /nfs/dbraw/zinc/24/52/68/1299245268.db2.gz PVGYCIHNBFBHRP-RBUKOAKNSA-N 2 1 335.536 2.853 10 30 EFEEMP CCCCCCC[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852763633 1299875549 /nfs/dbraw/zinc/87/55/49/1299875549.db2.gz CDNZHGRZPIUNEE-KRWDZBQOSA-N 2 1 333.524 2.969 10 30 EFEEMP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CCCC1 ZINC001278240446 1313830480 /nfs/dbraw/zinc/83/04/80/1313830480.db2.gz BUTZOYNHEVYOOH-UXHICEINSA-N 2 1 345.531 2.681 10 30 EFEEMP C=CCC[N@@H+]1C[C@@H](NC(=O)CN(C)CCc2ccccc2)C(C)(C)C1 ZINC001276608183 1314070252 /nfs/dbraw/zinc/07/02/52/1314070252.db2.gz PFZRVPIDGAHXQP-LJQANCHMSA-N 2 1 343.515 2.564 10 30 EFEEMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)C(C)(C)C1 ZINC001276608183 1314070255 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341.499 2.592 10 30 EFEEMP C=CC[NH+]1CCC(CCNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001319031225 1328767788 /nfs/dbraw/zinc/76/77/88/1328767788.db2.gz FFNVLKOGVUIKTN-IBGZPJMESA-N 2 1 339.499 2.603 10 30 EFEEMP C=CCCC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC001281795797 1318587239 /nfs/dbraw/zinc/58/72/39/1318587239.db2.gz DIGLRIFMEBZEHC-LJQANCHMSA-N 2 1 347.547 2.999 10 30 EFEEMP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCn3ccnc3C2)CC1 ZINC001281833188 1318596575 /nfs/dbraw/zinc/59/65/75/1318596575.db2.gz CNJXLPFEKIPYTC-SFHVURJKSA-N 2 1 344.503 2.582 10 30 EFEEMP C#CCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001281834052 1318598539 /nfs/dbraw/zinc/59/85/39/1318598539.db2.gz TVFDEOYSMVXYGI-FQEVSTJZSA-N 2 1 347.547 2.691 10 30 EFEEMP C#CCC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001281834052 1318598544 /nfs/dbraw/zinc/59/85/44/1318598544.db2.gz TVFDEOYSMVXYGI-FQEVSTJZSA-N 2 1 347.547 2.691 10 30 EFEEMP C#CCC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001281834052 1318598550 /nfs/dbraw/zinc/59/85/50/1318598550.db2.gz TVFDEOYSMVXYGI-FQEVSTJZSA-N 2 1 347.547 2.691 10 30 EFEEMP C=CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001281839692 1318599766 /nfs/dbraw/zinc/59/97/66/1318599766.db2.gz BQYQWOKQXODCRT-MOPGFXCFSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001281839692 1318599773 /nfs/dbraw/zinc/59/97/73/1318599773.db2.gz BQYQWOKQXODCRT-MOPGFXCFSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001281839692 1318599780 /nfs/dbraw/zinc/59/97/80/1318599780.db2.gz BQYQWOKQXODCRT-MOPGFXCFSA-N 2 1 333.520 2.750 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001316615115 1318614382 /nfs/dbraw/zinc/61/43/82/1318614382.db2.gz CISQIVFTTOQFMM-ZIFCJYIRSA-N 2 1 333.520 2.844 10 30 EFEEMP C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001281976292 1318645448 /nfs/dbraw/zinc/64/54/48/1318645448.db2.gz UQJFWVYXVHAEOK-VQTJNVASSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001281980428 1318646789 /nfs/dbraw/zinc/64/67/89/1318646789.db2.gz IKABJFTXFMIMHA-FQEVSTJZSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001281980415 1318647264 /nfs/dbraw/zinc/64/72/64/1318647264.db2.gz IGHGLEJYWFCTFU-IBGZPJMESA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001281980415 1318647272 /nfs/dbraw/zinc/64/72/72/1318647272.db2.gz IGHGLEJYWFCTFU-IBGZPJMESA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001281980415 1318647280 /nfs/dbraw/zinc/64/72/80/1318647280.db2.gz IGHGLEJYWFCTFU-IBGZPJMESA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCCC1)CC2 ZINC001319144144 1328790083 /nfs/dbraw/zinc/79/00/83/1328790083.db2.gz BFNYMJYKLYJDLP-GOSISDBHSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001282744687 1319106837 /nfs/dbraw/zinc/10/68/37/1319106837.db2.gz PYMHENGOEFWBKZ-KXBFYZLASA-N 2 1 339.499 2.602 10 30 EFEEMP C=CCCCCC[N@H+]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC001282813346 1319140762 /nfs/dbraw/zinc/14/07/62/1319140762.db2.gz WBQDFBAETYHRMW-KRWDZBQOSA-N 2 1 332.492 2.765 10 30 EFEEMP C=CCCCCC[N@@H+]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC001282813346 1319140768 /nfs/dbraw/zinc/14/07/68/1319140768.db2.gz WBQDFBAETYHRMW-KRWDZBQOSA-N 2 1 332.492 2.765 10 30 EFEEMP C=CCCC[N@@H+]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001282833499 1319151002 /nfs/dbraw/zinc/15/10/02/1319151002.db2.gz LCWIBAVXLIDAOT-ZWKOTPCHSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001282959056 1319217648 /nfs/dbraw/zinc/21/76/48/1319217648.db2.gz SNRQNYCYMCCIDT-IPMKNSEASA-N 2 1 333.520 2.511 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001282977578 1319233010 /nfs/dbraw/zinc/23/30/10/1319233010.db2.gz LNQDMVYPMXZWLX-GOSISDBHSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[NH+](C)C1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001283332213 1319565594 /nfs/dbraw/zinc/56/55/94/1319565594.db2.gz SMORGDFKYVVWJL-UHFFFAOYSA-N 2 1 343.515 2.660 10 30 EFEEMP C=C(C)C[N@@H+](C)C1CCN(C(=O)C[NH+](C)CCc2ccccc2)CC1 ZINC001283332213 1319565609 /nfs/dbraw/zinc/56/56/09/1319565609.db2.gz SMORGDFKYVVWJL-UHFFFAOYSA-N 2 1 343.515 2.660 10 30 EFEEMP C=C(C)C[N@H+](C)C1CCN(C(=O)C[NH+](C)CCc2ccccc2)CC1 ZINC001283332213 1319565618 /nfs/dbraw/zinc/56/56/18/1319565618.db2.gz SMORGDFKYVVWJL-UHFFFAOYSA-N 2 1 343.515 2.660 10 30 EFEEMP C=CCCCCC[N@H+](C)C1CCN(C(=O)Cn2ccnc2C)CC1 ZINC001283340233 1319572553 /nfs/dbraw/zinc/57/25/53/1319572553.db2.gz FJWQECJSGGNMSI-UHFFFAOYSA-N 2 1 332.492 2.861 10 30 EFEEMP C=CCCCCC[N@@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001283340233 1319572561 /nfs/dbraw/zinc/57/25/61/1319572561.db2.gz FJWQECJSGGNMSI-UHFFFAOYSA-N 2 1 332.492 2.861 10 30 EFEEMP C=CCCCCC[N@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001283340233 1319572573 /nfs/dbraw/zinc/57/25/73/1319572573.db2.gz FJWQECJSGGNMSI-UHFFFAOYSA-N 2 1 332.492 2.861 10 30 EFEEMP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001283553437 1319817647 /nfs/dbraw/zinc/81/76/47/1319817647.db2.gz MRWDPDWRUOVERW-WOJBJXKFSA-N 2 1 341.499 2.529 10 30 EFEEMP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001283553435 1319817998 /nfs/dbraw/zinc/81/79/98/1319817998.db2.gz MRWDPDWRUOVERW-VQTJNVASSA-N 2 1 341.499 2.529 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@]2(NC(=O)Cn3cncc3C)CCC[C@@H]12 ZINC001284056886 1320169878 /nfs/dbraw/zinc/16/98/78/1320169878.db2.gz IYRROHBTHAEXNH-KVSKMBFKSA-N 2 1 330.476 2.659 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CC[C@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC001284056886 1320169881 /nfs/dbraw/zinc/16/98/81/1320169881.db2.gz IYRROHBTHAEXNH-KVSKMBFKSA-N 2 1 330.476 2.659 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC001284056886 1320169884 /nfs/dbraw/zinc/16/98/84/1320169884.db2.gz IYRROHBTHAEXNH-KVSKMBFKSA-N 2 1 330.476 2.659 10 30 EFEEMP C=CCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1(C)C ZINC001284291721 1320306284 /nfs/dbraw/zinc/30/62/84/1320306284.db2.gz KXLQFYSCFUZEOB-ROUUACIJSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1(C)C ZINC001284291720 1320306467 /nfs/dbraw/zinc/30/64/67/1320306467.db2.gz KXLQFYSCFUZEOB-QZTJIDSGSA-N 2 1 333.520 2.796 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1(C)C ZINC001284311083 1320315081 /nfs/dbraw/zinc/31/50/81/1320315081.db2.gz AWNSDAPRSXVCAT-FUHWJXTLSA-N 2 1 344.503 2.547 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C(F)(F)F ZINC001284371428 1320343787 /nfs/dbraw/zinc/34/37/87/1320343787.db2.gz ISNUISVCYXKDOO-CABCVRRESA-N 2 1 349.441 2.521 10 30 EFEEMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001284702340 1320483950 /nfs/dbraw/zinc/48/39/50/1320483950.db2.gz MSIWLNZKHUFQKO-YLJYHZDGSA-N 2 1 341.499 2.529 10 30 EFEEMP CC#CC[NH+]1CCC([C@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001284720013 1320491687 /nfs/dbraw/zinc/49/16/87/1320491687.db2.gz UREAETNSYRMEGJ-SFHVURJKSA-N 2 1 347.547 2.881 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001284853281 1320562568 /nfs/dbraw/zinc/56/25/68/1320562568.db2.gz PCRJBJDEEOIHRW-IAGOWNOFSA-N 2 1 333.520 2.654 10 30 EFEEMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001316635370 1320566930 /nfs/dbraw/zinc/56/69/30/1320566930.db2.gz BEESKMOKQJOCJQ-VDHUWJSZSA-N 2 1 344.503 2.593 10 30 EFEEMP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001316635368 1320567297 /nfs/dbraw/zinc/56/72/97/1320567297.db2.gz BEESKMOKQJOCJQ-OWLYRPNTSA-N 2 1 344.503 2.593 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001284928898 1320601713 /nfs/dbraw/zinc/60/17/13/1320601713.db2.gz ROVAWVRPWYCLLK-MJGOQNOKSA-N 2 1 333.520 2.964 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CC=C(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001284928898 1320601715 /nfs/dbraw/zinc/60/17/15/1320601715.db2.gz ROVAWVRPWYCLLK-MJGOQNOKSA-N 2 1 333.520 2.964 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CC=C(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001284928898 1320601717 /nfs/dbraw/zinc/60/17/17/1320601717.db2.gz ROVAWVRPWYCLLK-MJGOQNOKSA-N 2 1 333.520 2.964 10 30 EFEEMP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)Cn2c[nH+]cc2C)c(F)c1 ZINC001285004280 1320646031 /nfs/dbraw/zinc/64/60/31/1320646031.db2.gz MGADBZNREUKKFW-UHFFFAOYSA-N 2 1 344.434 2.703 10 30 EFEEMP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C1CCCCC1 ZINC001319670068 1328946594 /nfs/dbraw/zinc/94/65/94/1328946594.db2.gz XDTJDRSPWORSNT-RTBURBONSA-N 2 1 333.520 2.539 10 30 EFEEMP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001319773898 1328984424 /nfs/dbraw/zinc/98/44/24/1328984424.db2.gz GEOMCYNBMQQRPU-APWZRJJASA-N 2 1 339.499 2.746 10 30 EFEEMP C=C(C)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001319818606 1329001846 /nfs/dbraw/zinc/00/18/46/1329001846.db2.gz GLHBBLPQJYMGSU-WMZOPIPTSA-N 2 1 332.492 2.765 10 30 EFEEMP C=C(C)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001319818603 1329002089 /nfs/dbraw/zinc/00/20/89/1329002089.db2.gz GLHBBLPQJYMGSU-AEFFLSMTSA-N 2 1 332.492 2.765 10 30 EFEEMP C#CC[N@H+](C)CCC1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001319878794 1329026923 /nfs/dbraw/zinc/02/69/23/1329026923.db2.gz BOKPOISNPGDWHM-UHFFFAOYSA-N 2 1 347.528 2.617 10 30 EFEEMP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001491944504 1324061119 /nfs/dbraw/zinc/06/11/19/1324061119.db2.gz WKHHNHSOXKRDRF-VQTJNVASSA-N 2 1 345.531 2.730 10 30 EFEEMP CC#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001491944504 1324061126 /nfs/dbraw/zinc/06/11/26/1324061126.db2.gz WKHHNHSOXKRDRF-VQTJNVASSA-N 2 1 345.531 2.730 10 30 EFEEMP CC#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001491944504 1324061131 /nfs/dbraw/zinc/06/11/31/1324061131.db2.gz WKHHNHSOXKRDRF-VQTJNVASSA-N 2 1 345.531 2.730 10 30 EFEEMP C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001491958429 1324076981 /nfs/dbraw/zinc/07/69/81/1324076981.db2.gz DDRQCSCWHCNILD-FQEVSTJZSA-N 2 1 347.547 2.997 10 30 EFEEMP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001320549452 1329160558 /nfs/dbraw/zinc/16/05/58/1329160558.db2.gz RXJUSVWFYUNMEW-MAUKXSAKSA-N 2 1 327.488 2.650 10 30 EFEEMP C=CC[C@@H](C)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC001307503622 1324770809 /nfs/dbraw/zinc/77/08/09/1324770809.db2.gz IYGUURMGBYIRNT-GOSISDBHSA-N 2 1 343.515 2.911 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001316752148 1325107948 /nfs/dbraw/zinc/10/79/48/1325107948.db2.gz IAIWITTWGDYMNT-QYZOEREBSA-N 2 1 333.520 2.606 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001316752148 1325107956 /nfs/dbraw/zinc/10/79/56/1325107956.db2.gz IAIWITTWGDYMNT-QYZOEREBSA-N 2 1 333.520 2.606 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001316752148 1325107962 /nfs/dbraw/zinc/10/79/62/1325107962.db2.gz IAIWITTWGDYMNT-QYZOEREBSA-N 2 1 333.520 2.606 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC)CC1CCC(C)CC1 ZINC001316892654 1325281214 /nfs/dbraw/zinc/28/12/14/1325281214.db2.gz RFFYCIQWRAGHJP-MHJFOBGBSA-N 2 1 347.547 2.739 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC)CC1CCC(C)CC1 ZINC001316892654 1325281224 /nfs/dbraw/zinc/28/12/24/1325281224.db2.gz RFFYCIQWRAGHJP-MHJFOBGBSA-N 2 1 347.547 2.739 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)CC1CCC(C)CC1 ZINC001316892654 1325281228 /nfs/dbraw/zinc/28/12/28/1325281228.db2.gz RFFYCIQWRAGHJP-MHJFOBGBSA-N 2 1 347.547 2.739 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)CC1CCC(C)CC1 ZINC001316892654 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C=CCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001317203406 1327734141 /nfs/dbraw/zinc/73/41/41/1327734141.db2.gz LCCWETKYSMOISM-ROUUACIJSA-N 2 1 333.520 2.798 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001317356070 1327889515 /nfs/dbraw/zinc/88/95/15/1327889515.db2.gz FBTCQTHRTBTPAM-QZTJIDSGSA-N 2 1 332.492 2.955 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCCC2CCC2)C1 ZINC001317373924 1327918424 /nfs/dbraw/zinc/91/84/24/1327918424.db2.gz AFISEWSWBZVBGO-UXHICEINSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001317373924 1327918431 /nfs/dbraw/zinc/91/84/31/1327918431.db2.gz AFISEWSWBZVBGO-UXHICEINSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCCC2CCC2)C1 ZINC001317373924 1327918435 /nfs/dbraw/zinc/91/84/35/1327918435.db2.gz AFISEWSWBZVBGO-UXHICEINSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCCC2CCC2)C1 ZINC001317373924 1327918442 /nfs/dbraw/zinc/91/84/42/1327918442.db2.gz AFISEWSWBZVBGO-UXHICEINSA-N 2 1 345.531 2.587 10 30 EFEEMP CC[N@@H+](C)CCC(=O)NCC[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001317410622 1327960103 /nfs/dbraw/zinc/96/01/03/1327960103.db2.gz KGRSEABICQTMHG-INIZCTEOSA-N 2 1 349.906 2.518 10 30 EFEEMP C#CC[NH+]1CCC[C@@H]1CCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001317426893 1327996052 /nfs/dbraw/zinc/99/60/52/1327996052.db2.gz JVXXZEFVYLKALC-IBGZPJMESA-N 2 1 333.520 2.635 10 30 EFEEMP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)CC[NH+](C)C1CCCCC1 ZINC001317426893 1327996061 /nfs/dbraw/zinc/99/60/61/1327996061.db2.gz JVXXZEFVYLKALC-IBGZPJMESA-N 2 1 333.520 2.635 10 30 EFEEMP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)CC[NH+](C)C1CCCCC1 ZINC001317426893 1327996068 /nfs/dbraw/zinc/99/60/68/1327996068.db2.gz JVXXZEFVYLKALC-IBGZPJMESA-N 2 1 333.520 2.635 10 30 EFEEMP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001317672054 1328265787 /nfs/dbraw/zinc/26/57/87/1328265787.db2.gz QLTSZFVPRRXWAH-NZSAHSFTSA-N 2 1 335.536 2.900 10 30 EFEEMP C#CC[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)c1ccc(C(C)C)cc1 ZINC001317712207 1328320810 /nfs/dbraw/zinc/32/08/10/1328320810.db2.gz WVOBDHZHAVUEIL-PXNSSMCTSA-N 2 1 341.499 2.532 10 30 EFEEMP C#CC[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)c1ccccc1 ZINC001317728480 1328338341 /nfs/dbraw/zinc/33/83/41/1328338341.db2.gz MSEZOEQLXIZWCY-PMACEKPBSA-N 2 1 341.499 2.577 10 30 EFEEMP C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001317757979 1328355787 /nfs/dbraw/zinc/35/57/87/1328355787.db2.gz BQBADHIWUPZNCL-AZUAARDMSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001317757979 1328355793 /nfs/dbraw/zinc/35/57/93/1328355793.db2.gz BQBADHIWUPZNCL-AZUAARDMSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001317757979 1328355803 /nfs/dbraw/zinc/35/58/03/1328355803.db2.gz BQBADHIWUPZNCL-AZUAARDMSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001317757979 1328355807 /nfs/dbraw/zinc/35/58/07/1328355807.db2.gz BQBADHIWUPZNCL-AZUAARDMSA-N 2 1 345.531 2.587 10 30 EFEEMP CC#CC[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001317766584 1328363717 /nfs/dbraw/zinc/36/37/17/1328363717.db2.gz FOELNDBZUUBOKF-FQEVSTJZSA-N 2 1 341.499 2.698 10 30 EFEEMP C=CCCC[N@H+](C)CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001317876345 1328432326 /nfs/dbraw/zinc/43/23/26/1328432326.db2.gz GKLSIRMVGOFSHR-UHFFFAOYSA-N 2 1 333.520 2.751 10 30 EFEEMP C=C(C)C[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001317877200 1328433758 /nfs/dbraw/zinc/43/37/58/1328433758.db2.gz UONYYWQBRMLHIO-RBUKOAKNSA-N 2 1 333.520 2.750 10 30 EFEEMP C=C(C)C[NH+](C)CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001317877200 1328433760 /nfs/dbraw/zinc/43/37/60/1328433760.db2.gz UONYYWQBRMLHIO-RBUKOAKNSA-N 2 1 333.520 2.750 10 30 EFEEMP C=C(C)C[NH+](C)CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001317877200 1328433766 /nfs/dbraw/zinc/43/37/66/1328433766.db2.gz UONYYWQBRMLHIO-RBUKOAKNSA-N 2 1 333.520 2.750 10 30 EFEEMP CCCCCCC[NH+]1CC(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001318148494 1328507439 /nfs/dbraw/zinc/50/74/39/1328507439.db2.gz IXWYHCIHROMBAH-GOSISDBHSA-N 2 1 346.519 2.772 10 30 EFEEMP C=CCO[C@@H]1CC[N@@H+](C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC001322278198 1329442762 /nfs/dbraw/zinc/44/27/62/1329442762.db2.gz VQVSQZXMPRXPRM-WOJBJXKFSA-N 2 1 330.472 2.554 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001322340594 1329449332 /nfs/dbraw/zinc/44/93/32/1329449332.db2.gz UETCAEMDGSWTJE-NVXWUHKLSA-N 2 1 348.491 2.581 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001323258590 1329528088 /nfs/dbraw/zinc/52/80/88/1329528088.db2.gz NSAALPMBVRBBIV-PBHICJAKSA-N 2 1 326.444 2.802 10 30 EFEEMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001323638266 1329557367 /nfs/dbraw/zinc/55/73/67/1329557367.db2.gz QFKULIYQMKOAGT-IBGZPJMESA-N 2 1 333.520 2.609 10 30 EFEEMP C=CCCCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001323813046 1329574056 /nfs/dbraw/zinc/57/40/56/1329574056.db2.gz NJWVVGYZLPDMAQ-HXUWFJFHSA-N 2 1 335.536 2.999 10 30 EFEEMP CCCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001323844392 1329577299 /nfs/dbraw/zinc/57/72/99/1329577299.db2.gz KKXGECHKUIGUCC-AZUAARDMSA-N 2 1 335.536 2.975 10 30 EFEEMP CCCCCCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001323844392 1329577300 /nfs/dbraw/zinc/57/73/00/1329577300.db2.gz KKXGECHKUIGUCC-AZUAARDMSA-N 2 1 335.536 2.975 10 30 EFEEMP CCCCCCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001323844392 1329577301 /nfs/dbraw/zinc/57/73/01/1329577301.db2.gz KKXGECHKUIGUCC-AZUAARDMSA-N 2 1 335.536 2.975 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001323858647 1329579874 /nfs/dbraw/zinc/57/98/74/1329579874.db2.gz QHBRFCPSKUWEGO-MJGOQNOKSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001324332782 1329617510 /nfs/dbraw/zinc/61/75/10/1329617510.db2.gz CAQVXZDYTRDTET-ROUUACIJSA-N 2 1 333.520 2.940 10 30 EFEEMP C#CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CC/C=C/CC)CC1 ZINC001324431916 1329626960 /nfs/dbraw/zinc/62/69/60/1329626960.db2.gz KENSGCZVFKGQQC-GHOSXJJBSA-N 2 1 345.531 2.611 10 30 EFEEMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001324556715 1329639251 /nfs/dbraw/zinc/63/92/51/1329639251.db2.gz KXHSKCKWRPLZNJ-QUCCMNQESA-N 2 1 335.536 2.997 10 30 EFEEMP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001324557606 1329639877 /nfs/dbraw/zinc/63/98/77/1329639877.db2.gz STBALPZSORHLCL-NRFANRHFSA-N 2 1 347.547 2.692 10 30 EFEEMP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001324557606 1329639879 /nfs/dbraw/zinc/63/98/79/1329639879.db2.gz STBALPZSORHLCL-NRFANRHFSA-N 2 1 347.547 2.692 10 30 EFEEMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001324557606 1329639883 /nfs/dbraw/zinc/63/98/83/1329639883.db2.gz STBALPZSORHLCL-NRFANRHFSA-N 2 1 347.547 2.692 10 30 EFEEMP C=CCCC[N@H+]1CC[C@](C)(NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001324615739 1329645146 /nfs/dbraw/zinc/64/51/46/1329645146.db2.gz QKMWZEDWGREFBW-LPHOPBHVSA-N 2 1 332.492 2.943 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@](C)(NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001324615739 1329645148 /nfs/dbraw/zinc/64/51/48/1329645148.db2.gz QKMWZEDWGREFBW-LPHOPBHVSA-N 2 1 332.492 2.943 10 30 EFEEMP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001324776419 1329657708 /nfs/dbraw/zinc/65/77/08/1329657708.db2.gz PHSUIJBOMAJPKY-YLJYHZDGSA-N 2 1 344.503 2.548 10 30 EFEEMP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001324956545 1329662737 /nfs/dbraw/zinc/66/27/37/1329662737.db2.gz CMTJXYKILPGLJY-FXAWDEMLSA-N 2 1 344.503 2.548 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001324956545 1329662738 /nfs/dbraw/zinc/66/27/38/1329662738.db2.gz CMTJXYKILPGLJY-FXAWDEMLSA-N 2 1 344.503 2.548 10 30 EFEEMP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CCC)c1ccccc1CC ZINC001325361587 1329682695 /nfs/dbraw/zinc/68/26/95/1329682695.db2.gz IQMNJIMPCVVZOE-PMACEKPBSA-N 2 1 341.499 2.504 10 30 EFEEMP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CCC)c1ccccc1CC ZINC001325361587 1329682696 /nfs/dbraw/zinc/68/26/96/1329682696.db2.gz IQMNJIMPCVVZOE-PMACEKPBSA-N 2 1 341.499 2.504 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001325561420 1329697334 /nfs/dbraw/zinc/69/73/34/1329697334.db2.gz KDSJKPSFRRGVLL-IRXDYDNUSA-N 2 1 332.492 2.657 10 30 EFEEMP C=C(Cl)C[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001325694145 1329707009 /nfs/dbraw/zinc/70/70/09/1329707009.db2.gz SAIAANMWPBKYLC-SFHVURJKSA-N 2 1 349.906 2.842 10 30 EFEEMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)C[C@H]2C1 ZINC001325750914 1329710404 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ZINC001326592741 1330323437 /nfs/dbraw/zinc/32/34/37/1330323437.db2.gz WLBPXWYYNUPAHO-QYZOEREBSA-N 2 1 347.547 2.996 10 30 EFEEMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCC1 ZINC001326821259 1330369013 /nfs/dbraw/zinc/36/90/13/1330369013.db2.gz BHTYELCXKPPASP-QGZVFWFLSA-N 2 1 333.520 2.846 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001327300053 1330454704 /nfs/dbraw/zinc/45/47/04/1330454704.db2.gz SMSBEWPIYXMDCF-OALUTQOASA-N 2 1 335.536 2.855 10 30 EFEEMP C#CC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001327307450 1330456740 /nfs/dbraw/zinc/45/67/40/1330456740.db2.gz CZEGYZNBAWEKPW-OALUTQOASA-N 2 1 347.547 2.691 10 30 EFEEMP C=CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCCn2ccnc2)C1 ZINC001327307909 1330456785 /nfs/dbraw/zinc/45/67/85/1330456785.db2.gz HCTVJHMFWMJAOE-RBUKOAKNSA-N 2 1 344.503 2.942 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CC/C=C/CC)CC1 ZINC001327456245 1330481501 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DMJQQNOHLOBTGI-SFHVURJKSA-N 2 1 347.547 2.879 10 30 EFEEMP CC#CC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C(C)(C)C1 ZINC001328079658 1330551162 /nfs/dbraw/zinc/55/11/62/1330551162.db2.gz DMJQQNOHLOBTGI-SFHVURJKSA-N 2 1 347.547 2.879 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCCCC)CC1(C)C ZINC001328083041 1330552221 /nfs/dbraw/zinc/55/22/21/1330552221.db2.gz RWUKULNLYZBMCV-OALUTQOASA-N 2 1 347.547 2.881 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCCCC)CC1(C)C ZINC001328083041 1330552225 /nfs/dbraw/zinc/55/22/25/1330552225.db2.gz RWUKULNLYZBMCV-OALUTQOASA-N 2 1 347.547 2.881 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCCCC)CC1(C)C ZINC001328083041 1330552228 /nfs/dbraw/zinc/55/22/28/1330552228.db2.gz RWUKULNLYZBMCV-OALUTQOASA-N 2 1 347.547 2.881 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCCCC)CC1(C)C ZINC001328083041 1330552230 /nfs/dbraw/zinc/55/22/30/1330552230.db2.gz RWUKULNLYZBMCV-OALUTQOASA-N 2 1 347.547 2.881 10 30 EFEEMP CC#CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001328588340 1330605700 /nfs/dbraw/zinc/60/57/00/1330605700.db2.gz CTSXHDKDZOZRTQ-WOJBJXKFSA-N 2 1 347.547 2.691 10 30 EFEEMP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001328795722 1330632879 /nfs/dbraw/zinc/63/28/79/1330632879.db2.gz DFZMBVBSUNZVNL-IBGZPJMESA-N 2 1 329.488 2.861 10 30 EFEEMP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001328870065 1330642148 /nfs/dbraw/zinc/64/21/48/1330642148.db2.gz ZDAYLSVYOOQOIP-TVPLGVNVSA-N 2 1 333.520 2.844 10 30 EFEEMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001329203473 1330680741 /nfs/dbraw/zinc/68/07/41/1330680741.db2.gz SXPKKQXDVCADOV-JKSUJKDBSA-N 2 1 349.906 2.515 10 30 EFEEMP C=CCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001329923461 1330752152 /nfs/dbraw/zinc/75/21/52/1330752152.db2.gz LKNHKVWIEZPSDT-RBUKOAKNSA-N 2 1 333.520 2.655 10 30 EFEEMP C=CCCC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001331031565 1330786092 /nfs/dbraw/zinc/78/60/92/1330786092.db2.gz XDWXPWINOCSUHQ-IBGZPJMESA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001331031565 1330786097 /nfs/dbraw/zinc/78/60/97/1330786097.db2.gz XDWXPWINOCSUHQ-IBGZPJMESA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001331031565 1330786098 /nfs/dbraw/zinc/78/60/98/1330786098.db2.gz XDWXPWINOCSUHQ-IBGZPJMESA-N 2 1 335.536 2.996 10 30 EFEEMP C#CC[NH2+]CCC[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001331175882 1330801898 /nfs/dbraw/zinc/80/18/98/1330801898.db2.gz DPGYHCMPHCSGKS-PMACEKPBSA-N 2 1 341.499 2.720 10 30 EFEEMP C#CCC[N@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CCCCC3)CCC[C@@H]12 ZINC001332099846 1330919429 /nfs/dbraw/zinc/91/94/29/1330919429.db2.gz LAWVYCMESNZVLI-NQIIRXRSSA-N 2 1 345.531 2.635 10 30 EFEEMP CC#CC[N@H+]1CC[C@]2(NC(=O)CC[NH+](C)C3CCCCC3)CCC[C@@H]12 ZINC001332101300 1330920477 /nfs/dbraw/zinc/92/04/77/1330920477.db2.gz SXPJDTUNRWGNOK-TZIWHRDSSA-N 2 1 345.531 2.778 10 30 EFEEMP CC#CC[NH+]1CC[C@]2(NC(=O)CC[N@H+](C)C3CCCCC3)CCC[C@@H]12 ZINC001332101300 1330920479 /nfs/dbraw/zinc/92/04/79/1330920479.db2.gz SXPJDTUNRWGNOK-TZIWHRDSSA-N 2 1 345.531 2.778 10 30 EFEEMP CC#CC[NH+]1CC[C@]2(NC(=O)CC[N@@H+](C)C3CCCCC3)CCC[C@@H]12 ZINC001332101300 1330920481 /nfs/dbraw/zinc/92/04/81/1330920481.db2.gz SXPJDTUNRWGNOK-TZIWHRDSSA-N 2 1 345.531 2.778 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@H]12 ZINC001332110370 1330921299 /nfs/dbraw/zinc/92/12/99/1330921299.db2.gz JGHFSKRGUKZHGB-GHTZIAJQSA-N 2 1 345.531 2.942 10 30 EFEEMP C=CCC[NH2+][C@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1(C)C ZINC001332424722 1330970418 /nfs/dbraw/zinc/97/04/18/1330970418.db2.gz UYPALISRTKFPPB-HNAYVOBHSA-N 2 1 339.499 2.602 10 30 EFEEMP C=CCCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)c(F)c1 ZINC001333471556 1331150989 /nfs/dbraw/zinc/15/09/89/1331150989.db2.gz NZZIBWUEQXKJNU-GOSISDBHSA-N 2 1 333.451 2.592 10 30 EFEEMP C[C@@H]1C(=NNCCCn2ccnc2)CCC[N@H+]1Cc1ccccc1 ZINC000848416137 1334712707 /nfs/dbraw/zinc/71/27/07/1334712707.db2.gz ANAYZXFLRJGMOI-QGZVFWFLSA-N 2 1 325.460 2.903 10 30 EFEEMP C[C@@H]1C(=NNCCCn2ccnc2)CCC[N@@H+]1Cc1ccccc1 ZINC000848416137 1334712710 /nfs/dbraw/zinc/71/27/10/1334712710.db2.gz ANAYZXFLRJGMOI-QGZVFWFLSA-N 2 1 325.460 2.903 10 30 EFEEMP C=CC[NH+](CC=C)[C@@H](CNC(=O)c1csc([C@H](C)[NH3+])n1)C(C)C ZINC001357362733 1335305135 /nfs/dbraw/zinc/30/51/35/1335305135.db2.gz UHJIMQNEMHRMOS-ZFWWWQNUSA-N 2 1 336.505 2.591 10 30 EFEEMP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001480741833 1337971896 /nfs/dbraw/zinc/97/18/96/1337971896.db2.gz BNJDAMVAZHKERZ-RTBURBONSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001366877677 1338152248 /nfs/dbraw/zinc/15/22/48/1338152248.db2.gz YYMZCTVCLQPKGR-IRXDYDNUSA-N 2 1 341.927 2.640 10 30 EFEEMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CCCC1 ZINC001367321184 1338618838 /nfs/dbraw/zinc/61/88/38/1338618838.db2.gz DFLMVHCCGSYGAD-HZPDHXFCSA-N 2 1 339.911 2.774 10 30 EFEEMP C=C(Cl)C[NH+](C)CCC1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001367436336 1338738908 /nfs/dbraw/zinc/73/89/08/1338738908.db2.gz IPYCCHSALPZVRL-UHFFFAOYSA-N 2 1 329.916 2.640 10 30 EFEEMP C=C(Cl)C[N@@H+](C)CCC1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001367436336 1338738913 /nfs/dbraw/zinc/73/89/13/1338738913.db2.gz IPYCCHSALPZVRL-UHFFFAOYSA-N 2 1 329.916 2.640 10 30 EFEEMP C=C(Cl)C[N@H+](C)CCC1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001367436336 1338738919 /nfs/dbraw/zinc/73/89/19/1338738919.db2.gz IPYCCHSALPZVRL-UHFFFAOYSA-N 2 1 329.916 2.640 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001368127047 1339205852 /nfs/dbraw/zinc/20/58/52/1339205852.db2.gz VYEKASKFPQMZOO-JKSUJKDBSA-N 2 1 327.900 2.582 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001368215256 1339261615 /nfs/dbraw/zinc/26/16/15/1339261615.db2.gz CNRRLZOXXQDLCX-SJLPKXTDSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001368215256 1339261616 /nfs/dbraw/zinc/26/16/16/1339261616.db2.gz CNRRLZOXXQDLCX-SJLPKXTDSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001368215256 1339261619 /nfs/dbraw/zinc/26/16/19/1339261619.db2.gz CNRRLZOXXQDLCX-SJLPKXTDSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001368215256 1339261621 /nfs/dbraw/zinc/26/16/21/1339261621.db2.gz CNRRLZOXXQDLCX-SJLPKXTDSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001368794945 1339725990 /nfs/dbraw/zinc/72/59/90/1339725990.db2.gz HSIKWHHYOOXRIU-HNNXBMFYSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001368794945 1339725987 /nfs/dbraw/zinc/72/59/87/1339725987.db2.gz HSIKWHHYOOXRIU-HNNXBMFYSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)CC(C)(C)C1 ZINC001368829970 1339771154 /nfs/dbraw/zinc/77/11/54/1339771154.db2.gz XSWZGZIHYZJAED-HNNXBMFYSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)CC(C)(C)C1 ZINC001368829970 1339771157 /nfs/dbraw/zinc/77/11/57/1339771157.db2.gz XSWZGZIHYZJAED-HNNXBMFYSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)CC(C)(C)C1 ZINC001368829970 1339771163 /nfs/dbraw/zinc/77/11/63/1339771163.db2.gz XSWZGZIHYZJAED-HNNXBMFYSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001370778133 1340204977 /nfs/dbraw/zinc/20/49/77/1340204977.db2.gz QQYVSTUFMIBORJ-IRXDYDNUSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001370778133 1340204979 /nfs/dbraw/zinc/20/49/79/1340204979.db2.gz QQYVSTUFMIBORJ-IRXDYDNUSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001371800319 1340693001 /nfs/dbraw/zinc/69/30/01/1340693001.db2.gz XUTZRSQBWJTYPL-AWEZNQCLSA-N 2 1 329.916 2.876 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001374437739 1341920912 /nfs/dbraw/zinc/92/09/12/1341920912.db2.gz DSGNZWXPAHGYFA-CVEARBPZSA-N 2 1 329.916 2.732 10 30 EFEEMP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001375913211 1343161233 /nfs/dbraw/zinc/16/12/33/1343161233.db2.gz XDDGELQOGGTQIV-JKSUJKDBSA-N 2 1 341.927 2.688 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001377637940 1344246410 /nfs/dbraw/zinc/24/64/10/1344246410.db2.gz FYDCJHZGDSGUBA-MRXNPFEDSA-N 2 1 339.911 2.538 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001377637940 1344246413 /nfs/dbraw/zinc/24/64/13/1344246413.db2.gz FYDCJHZGDSGUBA-MRXNPFEDSA-N 2 1 339.911 2.538 10 30 EFEEMP C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001377846068 1344502658 /nfs/dbraw/zinc/50/26/58/1344502658.db2.gz ADYDWNDIEJPEPK-JKSUJKDBSA-N 2 1 344.503 2.519 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001393882226 1357248468 /nfs/dbraw/zinc/24/84/68/1357248468.db2.gz KFXTYFJCQSEDJN-HZPDHXFCSA-N 2 1 329.916 2.782 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001393882226 1357248474 /nfs/dbraw/zinc/24/84/74/1357248474.db2.gz KFXTYFJCQSEDJN-HZPDHXFCSA-N 2 1 329.916 2.782 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001379135268 1345613512 /nfs/dbraw/zinc/61/35/12/1345613512.db2.gz VSZCUHCNJGTBPY-JKSUJKDBSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@H]1CC ZINC001388772368 1352998258 /nfs/dbraw/zinc/99/82/58/1352998258.db2.gz VMZWXBJXOCJTOM-XHSDSOJGSA-N 2 1 329.916 2.828 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@H]1CC ZINC001388772368 1352998259 /nfs/dbraw/zinc/99/82/59/1352998259.db2.gz VMZWXBJXOCJTOM-XHSDSOJGSA-N 2 1 329.916 2.828 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001390171503 1353890402 /nfs/dbraw/zinc/89/04/02/1353890402.db2.gz UTQIHKSDCSKRES-SJORKVTESA-N 2 1 341.927 2.925 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001390171503 1353890406 /nfs/dbraw/zinc/89/04/06/1353890406.db2.gz UTQIHKSDCSKRES-SJORKVTESA-N 2 1 341.927 2.925 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001390171503 1353890410 /nfs/dbraw/zinc/89/04/10/1353890410.db2.gz UTQIHKSDCSKRES-SJORKVTESA-N 2 1 341.927 2.925 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001390171503 1353890418 /nfs/dbraw/zinc/89/04/18/1353890418.db2.gz UTQIHKSDCSKRES-SJORKVTESA-N 2 1 341.927 2.925 10 30 EFEEMP C=C(Cl)C[N@H+](CCC)CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001391145242 1354865728 /nfs/dbraw/zinc/86/57/28/1354865728.db2.gz XOIRXZGDCNJVKA-JKSUJKDBSA-N 2 1 329.916 2.688 10 30 EFEEMP C=C(Cl)C[N@@H+](CCC)CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001391145242 1354865730 /nfs/dbraw/zinc/86/57/30/1354865730.db2.gz XOIRXZGDCNJVKA-JKSUJKDBSA-N 2 1 329.916 2.688 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1CC ZINC001397203960 1359747184 /nfs/dbraw/zinc/74/71/84/1359747184.db2.gz QQMGCVUAWHPTQE-DLBZAZTESA-N 2 1 341.927 2.974 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1CC ZINC001397203960 1359747187 /nfs/dbraw/zinc/74/71/87/1359747187.db2.gz QQMGCVUAWHPTQE-DLBZAZTESA-N 2 1 341.927 2.974 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001398469585 1360585351 /nfs/dbraw/zinc/58/53/51/1360585351.db2.gz WUNSTHXDRMLHMD-IRXDYDNUSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001398469585 1360585352 /nfs/dbraw/zinc/58/53/52/1360585352.db2.gz WUNSTHXDRMLHMD-IRXDYDNUSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001400150748 1361786490 /nfs/dbraw/zinc/78/64/90/1361786490.db2.gz CFTKGKGKHDZKAC-IRXDYDNUSA-N 2 1 341.927 2.688 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001400150748 1361786493 /nfs/dbraw/zinc/78/64/93/1361786493.db2.gz CFTKGKGKHDZKAC-IRXDYDNUSA-N 2 1 341.927 2.688 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001400150748 1361786497 /nfs/dbraw/zinc/78/64/97/1361786497.db2.gz CFTKGKGKHDZKAC-IRXDYDNUSA-N 2 1 341.927 2.688 10 30 EFEEMP C=C(Cl)C[NH2+]CC1(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CCCC1 ZINC001400969413 1362307779 /nfs/dbraw/zinc/30/77/79/1362307779.db2.gz AWOBQNCOQJZOQA-CVEARBPZSA-N 2 1 339.911 2.774 10 30 EFEEMP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+](C)C(C)C ZINC001402000376 1363318526 /nfs/dbraw/zinc/31/85/26/1363318526.db2.gz OBNODACTSSLOFG-MQVJKMGUSA-N 2 1 327.900 2.581 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001402681903 1363930715 /nfs/dbraw/zinc/93/07/15/1363930715.db2.gz OGQCVCKPMXIJJG-DLBZAZTESA-N 2 1 341.927 2.641 10 30 EFEEMP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001402788350 1364035617 /nfs/dbraw/zinc/03/56/17/1364035617.db2.gz XGHJPLQLNVULME-HNNXBMFYSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001403240957 1364453087 /nfs/dbraw/zinc/45/30/87/1364453087.db2.gz BUQIQABBSNTELZ-FUHWJXTLSA-N 2 1 349.906 2.870 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001403525550 1364731235 /nfs/dbraw/zinc/73/12/35/1364731235.db2.gz LCUILOAMMCYUPW-SJORKVTESA-N 2 1 341.927 2.828 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001418083312 1373590846 /nfs/dbraw/zinc/59/08/46/1373590846.db2.gz RCAIOIFGWOMZRF-IAGOWNOFSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001418083312 1373590851 /nfs/dbraw/zinc/59/08/51/1373590851.db2.gz RCAIOIFGWOMZRF-IAGOWNOFSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001418083312 1373590855 /nfs/dbraw/zinc/59/08/55/1373590855.db2.gz RCAIOIFGWOMZRF-IAGOWNOFSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001418083312 1373590857 /nfs/dbraw/zinc/59/08/57/1373590857.db2.gz RCAIOIFGWOMZRF-IAGOWNOFSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001418083314 1373590912 /nfs/dbraw/zinc/59/09/12/1373590912.db2.gz RCAIOIFGWOMZRF-IRXDYDNUSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001418083314 1373590915 /nfs/dbraw/zinc/59/09/15/1373590915.db2.gz RCAIOIFGWOMZRF-IRXDYDNUSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001418083314 1373590918 /nfs/dbraw/zinc/59/09/18/1373590918.db2.gz RCAIOIFGWOMZRF-IRXDYDNUSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001418083314 1373590921 /nfs/dbraw/zinc/59/09/21/1373590921.db2.gz RCAIOIFGWOMZRF-IRXDYDNUSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001418931138 1374696638 /nfs/dbraw/zinc/69/66/38/1374696638.db2.gz CXKSVGRODACVDR-IAGOWNOFSA-N 2 1 341.927 2.641 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001418931138 1374696639 /nfs/dbraw/zinc/69/66/39/1374696639.db2.gz CXKSVGRODACVDR-IAGOWNOFSA-N 2 1 341.927 2.641 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001418931138 1374696643 /nfs/dbraw/zinc/69/66/43/1374696643.db2.gz CXKSVGRODACVDR-IAGOWNOFSA-N 2 1 341.927 2.641 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001438296983 1388490039 /nfs/dbraw/zinc/49/00/39/1388490039.db2.gz BMPVSRSTIFOHOA-HZPDHXFCSA-N 2 1 341.927 2.878 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001421010411 1378016971 /nfs/dbraw/zinc/01/69/71/1378016971.db2.gz ZFEMYTOVIMHGNE-IRXDYDNUSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001421873978 1379285089 /nfs/dbraw/zinc/28/50/89/1379285089.db2.gz SMEVKNLRDFRIHC-QGZVFWFLSA-N 2 1 347.906 2.732 10 30 EFEEMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001421873978 1379285090 /nfs/dbraw/zinc/28/50/90/1379285090.db2.gz SMEVKNLRDFRIHC-QGZVFWFLSA-N 2 1 347.906 2.732 10 30 EFEEMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001421873978 1379285091 /nfs/dbraw/zinc/28/50/91/1379285091.db2.gz SMEVKNLRDFRIHC-QGZVFWFLSA-N 2 1 347.906 2.732 10 30 EFEEMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001421873978 1379285092 /nfs/dbraw/zinc/28/50/92/1379285092.db2.gz SMEVKNLRDFRIHC-QGZVFWFLSA-N 2 1 347.906 2.732 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001422015579 1379485723 /nfs/dbraw/zinc/48/57/23/1379485723.db2.gz TVUBUTYXJRAYKV-HRCADAONSA-N 2 1 329.916 2.590 10 30 EFEEMP N#Cc1ccc(C[NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)cc1F ZINC001422441247 1380104799 /nfs/dbraw/zinc/10/47/99/1380104799.db2.gz QUPCIMCNUXYBHM-UHFFFAOYSA-N 2 1 331.435 2.510 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC001423052984 1381275394 /nfs/dbraw/zinc/27/53/94/1381275394.db2.gz DQAHHSROWHBFCW-IRXDYDNUSA-N 2 1 335.879 2.526 10 30 EFEEMP CC(C)N(CC[N@@H+](C)Cc1ccc(C#N)cc1)C(=O)C[NH+](C)C(C)C ZINC001423578251 1382105819 /nfs/dbraw/zinc/10/58/19/1382105819.db2.gz NZUMWEXNNCWGHO-UHFFFAOYSA-N 2 1 344.503 2.567 10 30 EFEEMP CC(C)N(CC[NH+](C)Cc1ccc(C#N)cc1)C(=O)C[N@H+](C)C(C)C ZINC001423578251 1382105823 /nfs/dbraw/zinc/10/58/23/1382105823.db2.gz NZUMWEXNNCWGHO-UHFFFAOYSA-N 2 1 344.503 2.567 10 30 EFEEMP CC(C)N(CC[NH+](C)Cc1ccc(C#N)cc1)C(=O)C[N@@H+](C)C(C)C ZINC001423578251 1382105828 /nfs/dbraw/zinc/10/58/28/1382105828.db2.gz NZUMWEXNNCWGHO-UHFFFAOYSA-N 2 1 344.503 2.567 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C(C)(C)C ZINC001423599001 1382142985 /nfs/dbraw/zinc/14/29/85/1382142985.db2.gz FPRKKFIRUYOZGD-GJZGRUSLSA-N 2 1 329.916 2.734 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001424278630 1382917005 /nfs/dbraw/zinc/91/70/05/1382917005.db2.gz KUXILARRDWBRII-IRXDYDNUSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001424493849 1383048151 /nfs/dbraw/zinc/04/81/51/1383048151.db2.gz MXQMUJQKUDTDIY-INIZCTEOSA-N 2 1 341.927 2.973 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001425401406 1383647933 /nfs/dbraw/zinc/64/79/33/1383647933.db2.gz ASIFSIUPRFWIPA-WKILWMFISA-N 2 1 341.927 2.878 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001506865089 1406372715 /nfs/dbraw/zinc/37/27/15/1406372715.db2.gz IAMVMNLRCLPOLV-MSOLQXFVSA-N 2 1 335.536 2.852 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCCC2(CN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001506867853 1406379337 /nfs/dbraw/zinc/37/93/37/1406379337.db2.gz ZUKLCOPSPMRCOE-GOSISDBHSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001506867853 1406379348 /nfs/dbraw/zinc/37/93/48/1406379348.db2.gz ZUKLCOPSPMRCOE-GOSISDBHSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001506867853 1406379355 /nfs/dbraw/zinc/37/93/55/1406379355.db2.gz ZUKLCOPSPMRCOE-GOSISDBHSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001440266728 1389490645 /nfs/dbraw/zinc/49/06/45/1389490645.db2.gz GTJLGURJSGHOOL-CVEARBPZSA-N 2 1 327.900 2.582 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@]2(C)C1 ZINC001506869316 1406384769 /nfs/dbraw/zinc/38/47/69/1406384769.db2.gz UDFGNBPDVRKFAB-RLLQIKCJSA-N 2 1 347.547 2.853 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCCC3)C[C@@]2(C)C1 ZINC001506870493 1406388002 /nfs/dbraw/zinc/38/80/02/1406388002.db2.gz PZCUMLGZJCMDQH-RLLQIKCJSA-N 2 1 333.520 2.607 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001441306642 1391244789 /nfs/dbraw/zinc/24/47/89/1391244789.db2.gz QAWUIMWEJUEUDZ-JKSUJKDBSA-N 2 1 347.906 2.589 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001447786989 1391767748 /nfs/dbraw/zinc/76/77/48/1391767748.db2.gz ZKWDURWIQWMHPD-IRXDYDNUSA-N 2 1 341.927 2.926 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001447786989 1391767752 /nfs/dbraw/zinc/76/77/52/1391767752.db2.gz ZKWDURWIQWMHPD-IRXDYDNUSA-N 2 1 341.927 2.926 10 30 EFEEMP C=CC[NH2+]CCC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC001506979192 1406540794 /nfs/dbraw/zinc/54/07/94/1406540794.db2.gz BXYZBUDUSVFBGO-BHIYHBOVSA-N 2 1 329.488 2.740 10 30 EFEEMP C#CC[NH2+]CCC[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC001506978581 1406539498 /nfs/dbraw/zinc/53/94/98/1406539498.db2.gz ADJIYBJOVJLSNI-WOJBJXKFSA-N 2 1 341.499 2.721 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)CC[NH+](C)CCC)CCC[C@H]12 ZINC001449018548 1392209957 /nfs/dbraw/zinc/20/99/57/1392209957.db2.gz RVZPMLIGAFTPQA-DOTOQJQBSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@@]2(NC(=O)CC[N@@H+](C)CCC)CCC[C@H]12 ZINC001449018633 1392209450 /nfs/dbraw/zinc/20/94/50/1392209450.db2.gz RVZPMLIGAFTPQA-RDJZCZTQSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@@]2(NC(=O)CC[N@H+](C)CCC)CCC[C@H]12 ZINC001449018633 1392209453 /nfs/dbraw/zinc/20/94/53/1392209453.db2.gz RVZPMLIGAFTPQA-RDJZCZTQSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)CCC)CCC[C@H]12 ZINC001449018633 1392209456 /nfs/dbraw/zinc/20/94/56/1392209456.db2.gz RVZPMLIGAFTPQA-RDJZCZTQSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)CC[NH+](C)CCC)CCC[C@H]12 ZINC001449018633 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RKMHMNAFZWTRDF-MOPGFXCFSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CCC[C@H]1CCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001460888035 1396266588 /nfs/dbraw/zinc/26/65/88/1396266588.db2.gz YFWAHXXOIHUYOH-RBUKOAKNSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001479425682 1397722649 /nfs/dbraw/zinc/72/26/49/1397722649.db2.gz INKIYWGYJUYCSQ-VQTJNVASSA-N 2 1 341.499 2.631 10 30 EFEEMP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001479425682 1397722650 /nfs/dbraw/zinc/72/26/50/1397722650.db2.gz INKIYWGYJUYCSQ-VQTJNVASSA-N 2 1 341.499 2.631 10 30 EFEEMP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001479425682 1397722652 /nfs/dbraw/zinc/72/26/52/1397722652.db2.gz INKIYWGYJUYCSQ-VQTJNVASSA-N 2 1 341.499 2.631 10 30 EFEEMP C=CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001479501653 1397739331 /nfs/dbraw/zinc/73/93/31/1397739331.db2.gz LWYYZHCEWHUMMU-OALUTQOASA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001479504465 1397739770 /nfs/dbraw/zinc/73/97/70/1397739770.db2.gz RLRMPJBLAVMRGZ-QZTJIDSGSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001479504450 1397739836 /nfs/dbraw/zinc/73/98/36/1397739836.db2.gz RLRMPJBLAVMRGZ-MSOLQXFVSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001479504484 1397739865 /nfs/dbraw/zinc/73/98/65/1397739865.db2.gz RLRMPJBLAVMRGZ-ZWKOTPCHSA-N 2 1 333.520 2.607 10 30 EFEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)CC(C)(C)C1 ZINC001479745606 1397802698 /nfs/dbraw/zinc/80/26/98/1397802698.db2.gz NQCLTFBFXLSZIS-MSOLQXFVSA-N 2 1 335.536 2.737 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)CCC2CCCCC2)CC1 ZINC001479815987 1397910940 /nfs/dbraw/zinc/91/09/40/1397910940.db2.gz PWNJRTSGFVBVGY-UHFFFAOYSA-N 2 1 347.547 2.740 10 30 EFEEMP C#CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001479830375 1397925371 /nfs/dbraw/zinc/92/53/71/1397925371.db2.gz HPWIMWPZTLMNFF-UYAOXDASSA-N 2 1 341.499 2.501 10 30 EFEEMP C#CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001479830375 1397925373 /nfs/dbraw/zinc/92/53/73/1397925373.db2.gz HPWIMWPZTLMNFF-UYAOXDASSA-N 2 1 341.499 2.501 10 30 EFEEMP C=CCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001479988383 1398073243 /nfs/dbraw/zinc/07/32/43/1398073243.db2.gz PAILSVHKTPWWNF-MSOLQXFVSA-N 2 1 333.520 2.655 10 30 EFEEMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001480086417 1398124005 /nfs/dbraw/zinc/12/40/05/1398124005.db2.gz XVRIGEYVBDAJNI-VQIMIIECSA-N 2 1 339.499 2.555 10 30 EFEEMP C=CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001480086417 1398124009 /nfs/dbraw/zinc/12/40/09/1398124009.db2.gz XVRIGEYVBDAJNI-VQIMIIECSA-N 2 1 339.499 2.555 10 30 EFEEMP C=CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001480086417 1398124015 /nfs/dbraw/zinc/12/40/15/1398124015.db2.gz XVRIGEYVBDAJNI-VQIMIIECSA-N 2 1 339.499 2.555 10 30 EFEEMP C=CCCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001480727960 1398310969 /nfs/dbraw/zinc/31/09/69/1398310969.db2.gz HXQSWSUNNXAEQH-GOSISDBHSA-N 2 1 332.492 2.861 10 30 EFEEMP C=CCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001480727960 1398310979 /nfs/dbraw/zinc/31/09/79/1398310979.db2.gz HXQSWSUNNXAEQH-GOSISDBHSA-N 2 1 332.492 2.861 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001480826638 1398335767 /nfs/dbraw/zinc/33/57/67/1398335767.db2.gz MSUBRDQIVHLHBR-MRXNPFEDSA-N 2 1 341.927 2.974 10 30 EFEEMP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]21 ZINC001507361160 1406952900 /nfs/dbraw/zinc/95/29/00/1406952900.db2.gz AUWPGNAAQQXAKG-FGTMMUONSA-N 2 1 335.536 2.757 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@@H]21 ZINC001507364561 1406957714 /nfs/dbraw/zinc/95/77/14/1406957714.db2.gz PFZNFZZOMBXLKK-GBESFXJTSA-N 2 1 335.536 2.901 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](CC/C=C/CCC)C2)CC1 ZINC001493266344 1398574806 /nfs/dbraw/zinc/57/48/06/1398574806.db2.gz FGHHZWZSLBRAMR-OVKVCFKUSA-N 2 1 345.531 2.516 10 30 EFEEMP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001493849771 1398921768 /nfs/dbraw/zinc/92/17/68/1398921768.db2.gz KBCWFRHDTNMOAK-LPHOPBHVSA-N 2 1 329.488 2.692 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC001507384811 1406994243 /nfs/dbraw/zinc/99/42/43/1406994243.db2.gz QNADNYAJODHVGS-SJORKVTESA-N 2 1 332.492 2.942 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC001507384811 1406994246 /nfs/dbraw/zinc/99/42/46/1406994246.db2.gz QNADNYAJODHVGS-SJORKVTESA-N 2 1 332.492 2.942 10 30 EFEEMP C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001493979378 1399032998 /nfs/dbraw/zinc/03/29/98/1399032998.db2.gz XSNOTARRKIYOKJ-FQEVSTJZSA-N 2 1 341.499 2.698 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCCCC)[C@H]2C)CC1 ZINC001507388827 1407000734 /nfs/dbraw/zinc/00/07/34/1407000734.db2.gz VDGHMCVPSXRXPD-AZUAARDMSA-N 2 1 347.547 2.881 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001494042653 1399083217 /nfs/dbraw/zinc/08/32/17/1399083217.db2.gz MDQBYVKBPZTWFP-QZTJIDSGSA-N 2 1 344.503 2.548 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001494042653 1399083219 /nfs/dbraw/zinc/08/32/19/1399083219.db2.gz MDQBYVKBPZTWFP-QZTJIDSGSA-N 2 1 344.503 2.548 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001494145999 1399165944 /nfs/dbraw/zinc/16/59/44/1399165944.db2.gz WCEGYGCGPGJUDB-ZWKOTPCHSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001494197108 1399205693 /nfs/dbraw/zinc/20/56/93/1399205693.db2.gz VSFDJZGWIZUSEJ-IBGZPJMESA-N 2 1 333.520 2.750 10 30 EFEEMP C=CC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001494197108 1399205695 /nfs/dbraw/zinc/20/56/95/1399205695.db2.gz VSFDJZGWIZUSEJ-IBGZPJMESA-N 2 1 333.520 2.750 10 30 EFEEMP C=CC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001494197108 1399205696 /nfs/dbraw/zinc/20/56/96/1399205696.db2.gz VSFDJZGWIZUSEJ-IBGZPJMESA-N 2 1 333.520 2.750 10 30 EFEEMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001494301446 1399267687 /nfs/dbraw/zinc/26/76/87/1399267687.db2.gz LQBHDQOOWMOVAB-MOPGFXCFSA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001494301446 1399267691 /nfs/dbraw/zinc/26/76/91/1399267691.db2.gz LQBHDQOOWMOVAB-MOPGFXCFSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001494792188 1399469879 /nfs/dbraw/zinc/46/98/79/1399469879.db2.gz RQXIKCQGNDPSEQ-VQIMIIECSA-N 2 1 329.488 2.907 10 30 EFEEMP C=C(Cl)C[NH2+]CC1(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CCCC1 ZINC001495167125 1399710361 /nfs/dbraw/zinc/71/03/61/1399710361.db2.gz FQDDBTABFKMUNP-CVEARBPZSA-N 2 1 339.911 2.774 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CC/C=C/CC)C1 ZINC001495364403 1399908928 /nfs/dbraw/zinc/90/89/28/1399908928.db2.gz WBEXVKFUDHQVQM-KJBZUCPPSA-N 2 1 345.531 2.659 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CC/C=C/CC)C1 ZINC001495364403 1399908932 /nfs/dbraw/zinc/90/89/32/1399908932.db2.gz WBEXVKFUDHQVQM-KJBZUCPPSA-N 2 1 345.531 2.659 10 30 EFEEMP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001495384822 1399930630 /nfs/dbraw/zinc/93/06/30/1399930630.db2.gz FLMXEJLCHLJBMI-QZTJIDSGSA-N 2 1 344.503 2.548 10 30 EFEEMP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC001495509433 1400042267 /nfs/dbraw/zinc/04/22/67/1400042267.db2.gz QAEMWJCQXKHWQQ-IBGZPJMESA-N 2 1 329.488 2.843 10 30 EFEEMP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001495560004 1400082630 /nfs/dbraw/zinc/08/26/30/1400082630.db2.gz MMWLAJBMJFFWAL-PKOBYXMFSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CCC2(C1)CCN(C(=O)C1(C[NH+](C)C)CC1)CC2 ZINC001495602079 1400110156 /nfs/dbraw/zinc/11/01/56/1400110156.db2.gz ZTIALCPPADHGHQ-SFHVURJKSA-N 2 1 347.547 2.997 10 30 EFEEMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CCCC1 ZINC001495918084 1400354419 /nfs/dbraw/zinc/35/44/19/1400354419.db2.gz CFNNGKJZSHKDFN-SFHVURJKSA-N 2 1 333.520 2.988 10 30 EFEEMP CC#CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001496504609 1400779279 /nfs/dbraw/zinc/77/92/79/1400779279.db2.gz HOWWRPQTFKGBAS-UXHICEINSA-N 2 1 345.531 2.587 10 30 EFEEMP CC#CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001496504609 1400779280 /nfs/dbraw/zinc/77/92/80/1400779280.db2.gz HOWWRPQTFKGBAS-UXHICEINSA-N 2 1 345.531 2.587 10 30 EFEEMP CC#CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001496504609 1400779282 /nfs/dbraw/zinc/77/92/82/1400779282.db2.gz HOWWRPQTFKGBAS-UXHICEINSA-N 2 1 345.531 2.587 10 30 EFEEMP C=CCC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001496504892 1400780228 /nfs/dbraw/zinc/78/02/28/1400780228.db2.gz LYOJHAVEBYEIET-IBGZPJMESA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001496504892 1400780231 /nfs/dbraw/zinc/78/02/31/1400780231.db2.gz LYOJHAVEBYEIET-IBGZPJMESA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001496504892 1400780234 /nfs/dbraw/zinc/78/02/34/1400780234.db2.gz LYOJHAVEBYEIET-IBGZPJMESA-N 2 1 335.536 2.997 10 30 EFEEMP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C(C)C ZINC001496597331 1400858706 /nfs/dbraw/zinc/85/87/06/1400858706.db2.gz KYSWVQXLCAFDOK-OALUTQOASA-N 2 1 333.520 2.537 10 30 EFEEMP C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001496924760 1401105340 /nfs/dbraw/zinc/10/53/40/1401105340.db2.gz RHYNPGRRPZVCDS-RBUKOAKNSA-N 2 1 329.488 2.569 10 30 EFEEMP C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001496924760 1401105346 /nfs/dbraw/zinc/10/53/46/1401105346.db2.gz RHYNPGRRPZVCDS-RBUKOAKNSA-N 2 1 329.488 2.569 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C(C)(C)C ZINC001508003090 1407237495 /nfs/dbraw/zinc/23/74/95/1407237495.db2.gz GVAXZAUBZXSKQB-CVEARBPZSA-N 2 1 343.943 2.981 10 30 EFEEMP C=C(C)C[NH2+]C[C@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)C(C)(C)C ZINC001508026315 1407247082 /nfs/dbraw/zinc/24/70/82/1407247082.db2.gz WEOWGKNWHGZFJY-KRWDZBQOSA-N 2 1 348.491 2.581 10 30 EFEEMP CCCCCCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001499048987 1402444479 /nfs/dbraw/zinc/44/44/79/1402444479.db2.gz STIWKABUCAVTAE-MSOLQXFVSA-N 2 1 346.519 2.915 10 30 EFEEMP CCCCCCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001499048987 1402444482 /nfs/dbraw/zinc/44/44/82/1402444482.db2.gz STIWKABUCAVTAE-MSOLQXFVSA-N 2 1 346.519 2.915 10 30 EFEEMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001499324766 1402566079 /nfs/dbraw/zinc/56/60/79/1402566079.db2.gz NOHZSZKHNFCCCZ-GOSISDBHSA-N 2 1 333.520 2.988 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001499477505 1402632394 /nfs/dbraw/zinc/63/23/94/1402632394.db2.gz DOCLZHGFZQBQAJ-HKUYNNGSSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001499477507 1402632797 /nfs/dbraw/zinc/63/27/97/1402632797.db2.gz DOCLZHGFZQBQAJ-MJGOQNOKSA-N 2 1 335.536 2.853 10 30 EFEEMP C#CC[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)C1CCCCCC1 ZINC001499522475 1402658533 /nfs/dbraw/zinc/65/85/33/1402658533.db2.gz JGXOKJGQYVGVOI-VQTJNVASSA-N 2 1 345.531 2.778 10 30 EFEEMP C#CC[NH+](CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)C1CCCCCC1 ZINC001499522475 1402658538 /nfs/dbraw/zinc/65/85/38/1402658538.db2.gz JGXOKJGQYVGVOI-VQTJNVASSA-N 2 1 345.531 2.778 10 30 EFEEMP C#CC[NH+](CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)C1CCCCCC1 ZINC001499522475 1402658541 /nfs/dbraw/zinc/65/85/41/1402658541.db2.gz JGXOKJGQYVGVOI-VQTJNVASSA-N 2 1 345.531 2.778 10 30 EFEEMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001499531207 1402666915 /nfs/dbraw/zinc/66/69/15/1402666915.db2.gz SQWSBKLXSYPAME-UXHICEINSA-N 2 1 345.531 2.892 10 30 EFEEMP C=CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001499531207 1402666920 /nfs/dbraw/zinc/66/69/20/1402666920.db2.gz SQWSBKLXSYPAME-UXHICEINSA-N 2 1 345.531 2.892 10 30 EFEEMP C=CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001499531207 1402666925 /nfs/dbraw/zinc/66/69/25/1402666925.db2.gz SQWSBKLXSYPAME-UXHICEINSA-N 2 1 345.531 2.892 10 30 EFEEMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001499531205 1402667071 /nfs/dbraw/zinc/66/70/71/1402667071.db2.gz SQWSBKLXSYPAME-PMACEKPBSA-N 2 1 345.531 2.892 10 30 EFEEMP C=CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001499531205 1402667072 /nfs/dbraw/zinc/66/70/72/1402667072.db2.gz SQWSBKLXSYPAME-PMACEKPBSA-N 2 1 345.531 2.892 10 30 EFEEMP C=CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001499531205 1402667074 /nfs/dbraw/zinc/66/70/74/1402667074.db2.gz SQWSBKLXSYPAME-PMACEKPBSA-N 2 1 345.531 2.892 10 30 EFEEMP C=CCCC[NH+]1CC[C@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001499606684 1402714322 /nfs/dbraw/zinc/71/43/22/1402714322.db2.gz RRANYWUYDNNPTG-QUCCMNQESA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001499606684 1402714325 /nfs/dbraw/zinc/71/43/25/1402714325.db2.gz RRANYWUYDNNPTG-QUCCMNQESA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001499606684 1402714327 /nfs/dbraw/zinc/71/43/27/1402714327.db2.gz RRANYWUYDNNPTG-QUCCMNQESA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001499618930 1402723113 /nfs/dbraw/zinc/72/31/13/1402723113.db2.gz HMUHVNRJIMINBX-FQEVSTJZSA-N 2 1 333.520 2.753 10 30 EFEEMP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001499919696 1402854696 /nfs/dbraw/zinc/85/46/96/1402854696.db2.gz WNEIFJAXZNCNRO-RBUKOAKNSA-N 2 1 333.520 2.940 10 30 EFEEMP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001499918375 1402854804 /nfs/dbraw/zinc/85/48/04/1402854804.db2.gz CZLSUBWZVYHMIN-OALUTQOASA-N 2 1 333.520 2.940 10 30 EFEEMP C#CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001500043422 1402910925 /nfs/dbraw/zinc/91/09/25/1402910925.db2.gz LURXXQJBFYUCDX-UYAOXDASSA-N 2 1 347.547 2.689 10 30 EFEEMP C#CCN(C(=O)Cn1cc[nH+]c1C(C)C)C1CC[NH+](CC(C)C)CC1 ZINC001500052019 1402914652 /nfs/dbraw/zinc/91/46/52/1402914652.db2.gz PPJRCUOXHIKAEW-UHFFFAOYSA-N 2 1 344.503 2.589 10 30 EFEEMP C#CCN(C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)C1CC[NH+](CC(=C)C)CC1 ZINC001500051930 1402914712 /nfs/dbraw/zinc/91/47/12/1402914712.db2.gz MZXWYCIZDXWJGG-ICSRJNTNSA-N 2 1 343.515 2.506 10 30 EFEEMP C#CCN(C(=O)C[N@@H+](C)C(C)C)C1CC[NH+](CC/C=C/CC)CC1 ZINC001500057271 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PYRCLBKWEFTMSN-GGPHIMKMSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+](C)C1CCC1)C2 ZINC001501166377 1403470778 /nfs/dbraw/zinc/47/07/78/1403470778.db2.gz PYRCLBKWEFTMSN-GGPHIMKMSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@H]2C1 ZINC001501224122 1403500589 /nfs/dbraw/zinc/50/05/89/1403500589.db2.gz ZJXWGNIKHGIARQ-CALCHBBNSA-N 2 1 338.455 2.613 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+](C)CC(C)(C)C ZINC001501399423 1403587028 /nfs/dbraw/zinc/58/70/28/1403587028.db2.gz HCUWPEQTTOHMAJ-QZTJIDSGSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001501399423 1403587030 /nfs/dbraw/zinc/58/70/30/1403587030.db2.gz HCUWPEQTTOHMAJ-QZTJIDSGSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001501399423 1403587032 /nfs/dbraw/zinc/58/70/32/1403587032.db2.gz HCUWPEQTTOHMAJ-QZTJIDSGSA-N 2 1 335.536 2.996 10 30 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SONVEPXAEUSOFA-DLBZAZTESA-N 2 1 332.492 2.943 10 30 EFEEMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001506565518 1405972663 /nfs/dbraw/zinc/97/26/63/1405972663.db2.gz SONVEPXAEUSOFA-IAGOWNOFSA-N 2 1 332.492 2.943 10 30 EFEEMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001506565518 1405972666 /nfs/dbraw/zinc/97/26/66/1405972666.db2.gz SONVEPXAEUSOFA-IAGOWNOFSA-N 2 1 332.492 2.943 10 30 EFEEMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC001506740125 1406227655 /nfs/dbraw/zinc/22/76/55/1406227655.db2.gz QKDLKQLBYJOJRJ-KZNAEPCWSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC001506740125 1406227663 /nfs/dbraw/zinc/22/76/63/1406227663.db2.gz QKDLKQLBYJOJRJ-KZNAEPCWSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC001506740125 1406227671 /nfs/dbraw/zinc/22/76/71/1406227671.db2.gz QKDLKQLBYJOJRJ-KZNAEPCWSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001565908709 1415448216 /nfs/dbraw/zinc/44/82/16/1415448216.db2.gz WOEWPJWARYUNPI-FRQCXROJSA-N 2 1 339.499 2.650 10 30 EFEEMP C#CCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001565940817 1415458244 /nfs/dbraw/zinc/45/82/44/1415458244.db2.gz DLSCGRLTFHLREY-MJGOQNOKSA-N 2 1 344.503 2.602 10 30 EFEEMP C=C(Cl)C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C(C)C ZINC001565943309 1415461674 /nfs/dbraw/zinc/46/16/74/1415461674.db2.gz OZYNLWXPNAQQDR-GDBMZVCRSA-N 2 1 329.916 2.686 10 30 EFEEMP CC#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001565984976 1415470374 /nfs/dbraw/zinc/47/03/74/1415470374.db2.gz PBVYBQXDAMNXEN-HSALFYBXSA-N 2 1 347.547 2.881 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3ncc[nH]3)C(C)(C)[C@@H]21 ZINC001565994741 1415475106 /nfs/dbraw/zinc/47/51/06/1415475106.db2.gz JWRHWNZGXBVUAO-ZTFGCOKTSA-N 2 1 330.476 2.524 10 30 EFEEMP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1C(F)(F)F ZINC001566002271 1415479071 /nfs/dbraw/zinc/47/90/71/1415479071.db2.gz VTYOLRLXDNLBFO-GJZGRUSLSA-N 2 1 349.441 2.519 10 30 EFEEMP C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001566124112 1415522537 /nfs/dbraw/zinc/52/25/37/1415522537.db2.gz HCCGZVBIEHBEQQ-FQEVSTJZSA-N 2 1 343.515 2.903 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001566124402 1415523311 /nfs/dbraw/zinc/52/33/11/1415523311.db2.gz RSCRELNNLKBIJR-MSOLQXFVSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001566608970 1415692616 /nfs/dbraw/zinc/69/26/16/1415692616.db2.gz MAVJQEPYSMCWLY-MOPGFXCFSA-N 2 1 333.520 2.892 10 30 EFEEMP C#CCC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001566699979 1415738556 /nfs/dbraw/zinc/73/85/56/1415738556.db2.gz UUFGSODAYJEWMT-QUCCMNQESA-N 2 1 345.531 2.730 10 30 EFEEMP C=C(C)CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001566739779 1415754070 /nfs/dbraw/zinc/75/40/70/1415754070.db2.gz JKAOGBZOLTZUNG-CEXWTWQISA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001566739779 1415754072 /nfs/dbraw/zinc/75/40/72/1415754072.db2.gz JKAOGBZOLTZUNG-CEXWTWQISA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001566739779 1415754076 /nfs/dbraw/zinc/75/40/76/1415754076.db2.gz JKAOGBZOLTZUNG-CEXWTWQISA-N 2 1 335.536 2.853 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C[N@H+](C)CCCCC)C2)CC1 ZINC001566747012 1415760133 /nfs/dbraw/zinc/76/01/33/1415760133.db2.gz WJFVDKDAFXZSPH-LJQANCHMSA-N 2 1 347.547 2.692 10 30 EFEEMP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001566897173 1415830558 /nfs/dbraw/zinc/83/05/58/1415830558.db2.gz RYOKOBQSVBCGQU-HZPDHXFCSA-N 2 1 348.491 2.533 10 30 EFEEMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001566923118 1415848878 /nfs/dbraw/zinc/84/88/78/1415848878.db2.gz LSTFLYMHCNGBBH-GOSISDBHSA-N 2 1 333.520 2.633 10 30 EFEEMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001566923118 1415848882 /nfs/dbraw/zinc/84/88/82/1415848882.db2.gz LSTFLYMHCNGBBH-GOSISDBHSA-N 2 1 333.520 2.633 10 30 EFEEMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001566923118 1415848887 /nfs/dbraw/zinc/84/88/87/1415848887.db2.gz LSTFLYMHCNGBBH-GOSISDBHSA-N 2 1 333.520 2.633 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001566955309 1415868367 /nfs/dbraw/zinc/86/83/67/1415868367.db2.gz KSXIBPWTUGWXSO-RTBURBONSA-N 2 1 345.531 2.894 10 30 EFEEMP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001567625403 1416215138 /nfs/dbraw/zinc/21/51/38/1416215138.db2.gz ULQVXDJAKCVSNY-IRXDYDNUSA-N 2 1 344.503 2.637 10 30 EFEEMP C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001567630007 1416217249 /nfs/dbraw/zinc/21/72/49/1416217249.db2.gz JFUIMKUDNLFOCF-CRAIPNDOSA-N 2 1 344.503 2.547 10 30 EFEEMP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001567631727 1416218200 /nfs/dbraw/zinc/21/82/00/1416218200.db2.gz UFUMILZMBXXATN-INIZCTEOSA-N 2 1 332.492 2.799 10 30 EFEEMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001567660336 1416234834 /nfs/dbraw/zinc/23/48/34/1416234834.db2.gz YOXKQJVCKBAPPD-RBUKOAKNSA-N 2 1 329.488 2.884 10 30 EFEEMP C#CC[NH2+][C@@H](CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)c1ccccc1 ZINC001567661396 1416235359 /nfs/dbraw/zinc/23/53/59/1416235359.db2.gz YCHXLELRHRPCKR-IBGZPJMESA-N 2 1 341.499 2.720 10 30 EFEEMP C=CC[NH+]1CC[C@H](CCNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001567713160 1416258372 /nfs/dbraw/zinc/25/83/72/1416258372.db2.gz XTYKVLLIGLCGRW-PKOBYXMFSA-N 2 1 329.488 2.694 10 30 EFEEMP C=CC[N@H+]1CC[C@H](CCNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001567713160 1416258376 /nfs/dbraw/zinc/25/83/76/1416258376.db2.gz XTYKVLLIGLCGRW-PKOBYXMFSA-N 2 1 329.488 2.694 10 30 EFEEMP C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001567713160 1416258379 /nfs/dbraw/zinc/25/83/79/1416258379.db2.gz XTYKVLLIGLCGRW-PKOBYXMFSA-N 2 1 329.488 2.694 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](C)CC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001567752255 1416273334 /nfs/dbraw/zinc/27/33/34/1416273334.db2.gz LCXNQWGWMLKOQL-PKOBYXMFSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[C@H](C)[NH+](C)CC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001567752255 1416273337 /nfs/dbraw/zinc/27/33/37/1416273337.db2.gz LCXNQWGWMLKOQL-PKOBYXMFSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[C@H](C)[NH+](C)CC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001567752255 1416273340 /nfs/dbraw/zinc/27/33/40/1416273340.db2.gz LCXNQWGWMLKOQL-PKOBYXMFSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCCC1 ZINC001567998111 1416354695 /nfs/dbraw/zinc/35/46/95/1416354695.db2.gz AYDZYRCLJLTEAF-KRWDZBQOSA-N 2 1 333.520 2.846 10 30 EFEEMP C=C(Cl)C[NH2+]CCC1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001568087327 1416403631 /nfs/dbraw/zinc/40/36/31/1416403631.db2.gz AJSJVAWICSOMED-QGZVFWFLSA-N 2 1 341.927 2.832 10 30 EFEEMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)cc1 ZINC001568121268 1416418045 /nfs/dbraw/zinc/41/80/45/1416418045.db2.gz SUYDKZPWMVGNHK-FQEVSTJZSA-N 2 1 347.478 2.791 10 30 EFEEMP CC#CC[NH+]1CCC(CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001568126152 1416419781 /nfs/dbraw/zinc/41/97/81/1416419781.db2.gz SDDPKHQYNGUVNZ-QGZVFWFLSA-N 2 1 344.503 2.638 10 30 EFEEMP C=CCC[NH+]1CCC(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001568130002 1416420708 /nfs/dbraw/zinc/42/07/08/1416420708.db2.gz PINYJVVTJUQYLG-RBUKOAKNSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC2 ZINC001568155148 1416427116 /nfs/dbraw/zinc/42/71/16/1416427116.db2.gz DZAGWCZBQIICJL-SFHVURJKSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC2 ZINC001568155147 1416427610 /nfs/dbraw/zinc/42/76/10/1416427610.db2.gz DZAGWCZBQIICJL-GOSISDBHSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCCCC[NH+]1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1C)CC2 ZINC001568253504 1416456509 /nfs/dbraw/zinc/45/65/09/1416456509.db2.gz GTMIVSSYBVJRFS-UHFFFAOYSA-N 2 1 344.503 2.862 10 30 EFEEMP C=CCC[NH2+]CC[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001568395355 1416512090 /nfs/dbraw/zinc/51/20/90/1416512090.db2.gz SDYZHCOLVOTRCV-KRWDZBQOSA-N 2 1 332.492 2.943 10 30 EFEEMP C=CCC[N@H+](CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C(C)C ZINC001691752082 1416665966 /nfs/dbraw/zinc/66/59/66/1416665966.db2.gz YNFINQZQGCSVBC-LJQANCHMSA-N 2 1 341.515 2.992 10 30 EFEEMP C=CCC[NH+](CCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C(C)C ZINC001691752082 1416665968 /nfs/dbraw/zinc/66/59/68/1416665968.db2.gz YNFINQZQGCSVBC-LJQANCHMSA-N 2 1 341.515 2.992 10 30 EFEEMP C=CCC[NH+](CCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001691752082 1416665970 /nfs/dbraw/zinc/66/59/70/1416665970.db2.gz YNFINQZQGCSVBC-LJQANCHMSA-N 2 1 341.515 2.992 10 30 EFEEMP C=C(C)C[NH+]1CCC(N(C)C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001690027557 1417138577 /nfs/dbraw/zinc/13/85/77/1417138577.db2.gz QAXWRBVEQSCMNT-UHFFFAOYSA-N 2 1 343.515 2.660 10 30 EFEEMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001690356620 1417195008 /nfs/dbraw/zinc/19/50/08/1417195008.db2.gz PHMSNZSCMDOPKL-OAFZBRQQSA-N 2 1 339.499 2.790 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]([C@H](C)CCC=C)C2)CC1 ZINC001690393876 1417209140 /nfs/dbraw/zinc/20/91/40/1417209140.db2.gz NVEVNRNRYPHCGQ-RTBURBONSA-N 2 1 345.531 2.515 10 30 EFEEMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001691938141 1417251501 /nfs/dbraw/zinc/25/15/01/1417251501.db2.gz HXCWPYNQRGJWGH-QXAKKESOSA-N 2 1 329.488 2.740 10 30 EFEEMP C=CCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001692257476 1417269972 /nfs/dbraw/zinc/26/99/72/1417269972.db2.gz FOXZPMXAWSKHRY-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001692257476 1417269975 /nfs/dbraw/zinc/26/99/75/1417269975.db2.gz FOXZPMXAWSKHRY-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001692257476 1417269977 /nfs/dbraw/zinc/26/99/77/1417269977.db2.gz FOXZPMXAWSKHRY-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCC(C)(C)C)CC1 ZINC001698710535 1417316315 /nfs/dbraw/zinc/31/63/15/1417316315.db2.gz ZPHGZNCMVADJOJ-FHWLQOOXSA-N 2 1 347.547 2.927 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCC(C)(C)C)CC1 ZINC001698710535 1417316313 /nfs/dbraw/zinc/31/63/13/1417316313.db2.gz ZPHGZNCMVADJOJ-FHWLQOOXSA-N 2 1 347.547 2.927 10 30 EFEEMP CC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001699021429 1417373059 /nfs/dbraw/zinc/37/30/59/1417373059.db2.gz JSOWMGQNQKRYPL-WMZOPIPTSA-N 2 1 333.520 2.537 10 30 EFEEMP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001699672803 1417446254 /nfs/dbraw/zinc/44/62/54/1417446254.db2.gz FITVQLMJEFABSQ-UXHICEINSA-N 2 1 345.531 2.589 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001699696807 1417457190 /nfs/dbraw/zinc/45/71/90/1417457190.db2.gz JJZPQUZWOBHKSU-ICSRJNTNSA-N 2 1 333.520 2.751 10 30 EFEEMP C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001699875898 1417492434 /nfs/dbraw/zinc/49/24/34/1417492434.db2.gz WZOGDWARUSIZLX-QUCCMNQESA-N 2 1 333.520 2.513 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC001699991154 1417539681 /nfs/dbraw/zinc/53/96/81/1417539681.db2.gz BDDGLRIFCAOEOA-ZGXWSNOMSA-N 2 1 347.547 2.996 10 30 EFEEMP CCCCCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001700020098 1417541410 /nfs/dbraw/zinc/54/14/10/1417541410.db2.gz JPFXDIKVMRZRRI-IPMKNSEASA-N 2 1 335.536 2.831 10 30 EFEEMP CCCCCCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001700020098 1417541413 /nfs/dbraw/zinc/54/14/13/1417541413.db2.gz JPFXDIKVMRZRRI-IPMKNSEASA-N 2 1 335.536 2.831 10 30 EFEEMP CCCCCCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001700020098 1417541417 /nfs/dbraw/zinc/54/14/17/1417541417.db2.gz JPFXDIKVMRZRRI-IPMKNSEASA-N 2 1 335.536 2.831 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCCC(C)(C)C)C1 ZINC001700068176 1417549654 /nfs/dbraw/zinc/54/96/54/1417549654.db2.gz VZEAHUMEHFWYMB-MOPGFXCFSA-N 2 1 347.547 2.739 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCCC(C)(C)C)C1 ZINC001700068176 1417549655 /nfs/dbraw/zinc/54/96/55/1417549655.db2.gz VZEAHUMEHFWYMB-MOPGFXCFSA-N 2 1 347.547 2.739 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCCC(C)(C)C)C1 ZINC001700068179 1417549752 /nfs/dbraw/zinc/54/97/52/1417549752.db2.gz VZEAHUMEHFWYMB-OALUTQOASA-N 2 1 347.547 2.739 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCCC(C)(C)C)C1 ZINC001700068179 1417549755 /nfs/dbraw/zinc/54/97/55/1417549755.db2.gz VZEAHUMEHFWYMB-OALUTQOASA-N 2 1 347.547 2.739 10 30 EFEEMP C=CC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001700089857 1417561906 /nfs/dbraw/zinc/56/19/06/1417561906.db2.gz CKYLROYQNNUEJI-VQTJNVASSA-N 2 1 341.499 2.938 10 30 EFEEMP C=CC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001700089857 1417561909 /nfs/dbraw/zinc/56/19/09/1417561909.db2.gz CKYLROYQNNUEJI-VQTJNVASSA-N 2 1 341.499 2.938 10 30 EFEEMP C=CC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001700089857 1417561911 /nfs/dbraw/zinc/56/19/11/1417561911.db2.gz CKYLROYQNNUEJI-VQTJNVASSA-N 2 1 341.499 2.938 10 30 EFEEMP C#CCC[NH2+]CCC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC001700708924 1417624478 /nfs/dbraw/zinc/62/44/78/1417624478.db2.gz ABOTWJXJFIGJEU-RLLQIKCJSA-N 2 1 341.499 2.577 10 30 EFEEMP C=CCC[NH+]1CCC[C@@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001713223825 1418396078 /nfs/dbraw/zinc/39/60/78/1418396078.db2.gz IBFHRKLZLJJRPM-IBGZPJMESA-N 2 1 329.488 2.523 10 30 EFEEMP C=CCC[NH+]1CCC[C@@H](CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001713223825 1418396084 /nfs/dbraw/zinc/39/60/84/1418396084.db2.gz IBFHRKLZLJJRPM-IBGZPJMESA-N 2 1 329.488 2.523 10 30 EFEEMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001713223825 1418396091 /nfs/dbraw/zinc/39/60/91/1418396091.db2.gz IBFHRKLZLJJRPM-IBGZPJMESA-N 2 1 329.488 2.523 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001713223825 1418396095 /nfs/dbraw/zinc/39/60/95/1418396095.db2.gz IBFHRKLZLJJRPM-IBGZPJMESA-N 2 1 329.488 2.523 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001713224667 1418397569 /nfs/dbraw/zinc/39/75/69/1418397569.db2.gz ZPBPJEOYEFCXBU-RBUKOAKNSA-N 2 1 335.536 2.901 10 30 EFEEMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001713257256 1418426378 /nfs/dbraw/zinc/42/63/78/1418426378.db2.gz YQPSTRXCDSCJBB-WOJBJXKFSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001713257256 1418426387 /nfs/dbraw/zinc/42/63/87/1418426387.db2.gz YQPSTRXCDSCJBB-WOJBJXKFSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001713257256 1418426394 /nfs/dbraw/zinc/42/63/94/1418426394.db2.gz YQPSTRXCDSCJBB-WOJBJXKFSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001713257256 1418426398 /nfs/dbraw/zinc/42/63/98/1418426398.db2.gz YQPSTRXCDSCJBB-WOJBJXKFSA-N 2 1 341.499 2.673 10 30 EFEEMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001713259499 1418428957 /nfs/dbraw/zinc/42/89/57/1418428957.db2.gz UVPPUMJNCYQCCI-MOPGFXCFSA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001713259499 1418428958 /nfs/dbraw/zinc/42/89/58/1418428958.db2.gz UVPPUMJNCYQCCI-MOPGFXCFSA-N 2 1 329.488 2.836 10 30 EFEEMP C#CC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@H+](C)CCCCCC ZINC001713271296 1418438584 /nfs/dbraw/zinc/43/85/84/1418438584.db2.gz IEKVVEBKZWPXGR-WOJBJXKFSA-N 2 1 347.547 2.977 10 30 EFEEMP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)CCCCCC ZINC001713271296 1418438587 /nfs/dbraw/zinc/43/85/87/1418438587.db2.gz IEKVVEBKZWPXGR-WOJBJXKFSA-N 2 1 347.547 2.977 10 30 EFEEMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)CCCCCC ZINC001713271296 1418438588 /nfs/dbraw/zinc/43/85/88/1418438588.db2.gz IEKVVEBKZWPXGR-WOJBJXKFSA-N 2 1 347.547 2.977 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001713409632 1418513180 /nfs/dbraw/zinc/51/31/80/1418513180.db2.gz DARJOBGTQBGHFU-HKUYNNGSSA-N 2 1 345.531 2.539 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001713409632 1418513184 /nfs/dbraw/zinc/51/31/84/1418513184.db2.gz DARJOBGTQBGHFU-HKUYNNGSSA-N 2 1 345.531 2.539 10 30 EFEEMP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001713432977 1418526489 /nfs/dbraw/zinc/52/64/89/1418526489.db2.gz PEFISNDJMDRTAH-MJGOQNOKSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001713432977 1418526493 /nfs/dbraw/zinc/52/64/93/1418526493.db2.gz PEFISNDJMDRTAH-MJGOQNOKSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001713432977 1418526495 /nfs/dbraw/zinc/52/64/95/1418526495.db2.gz PEFISNDJMDRTAH-MJGOQNOKSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001714225398 1418589903 /nfs/dbraw/zinc/58/99/03/1418589903.db2.gz MVDNKDKSNJDDNQ-QZTJIDSGSA-N 2 1 344.503 2.548 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001714650726 1418612968 /nfs/dbraw/zinc/61/29/68/1418612968.db2.gz PHAHTYWCOGVJIX-HKUYNNGSSA-N 2 1 329.488 2.694 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001714650726 1418612971 /nfs/dbraw/zinc/61/29/71/1418612971.db2.gz PHAHTYWCOGVJIX-HKUYNNGSSA-N 2 1 329.488 2.694 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001714869130 1418642056 /nfs/dbraw/zinc/64/20/56/1418642056.db2.gz XQJIUTZWNGEQDF-SJORKVTESA-N 2 1 332.492 2.801 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001714869130 1418642059 /nfs/dbraw/zinc/64/20/59/1418642059.db2.gz XQJIUTZWNGEQDF-SJORKVTESA-N 2 1 332.492 2.801 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001714869124 1418642185 /nfs/dbraw/zinc/64/21/85/1418642185.db2.gz XQJIUTZWNGEQDF-DLBZAZTESA-N 2 1 332.492 2.801 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001714869124 1418642188 /nfs/dbraw/zinc/64/21/88/1418642188.db2.gz XQJIUTZWNGEQDF-DLBZAZTESA-N 2 1 332.492 2.801 10 30 EFEEMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)CCC[NH+]3CCCCC3)CC2)C1 ZINC001716704177 1418963598 /nfs/dbraw/zinc/96/35/98/1418963598.db2.gz NRIUSOFIIVFGFV-HXUWFJFHSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCCC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001716726445 1418977349 /nfs/dbraw/zinc/97/73/49/1418977349.db2.gz LEQUXAJDCSOTAD-UHFFFAOYSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001716732004 1418982106 /nfs/dbraw/zinc/98/21/06/1418982106.db2.gz OJRMUSDKZUNVCC-LJQANCHMSA-N 2 1 333.520 2.609 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001716735414 1418984442 /nfs/dbraw/zinc/98/44/42/1418984442.db2.gz POJWRVGJLMVKJO-HXUWFJFHSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001716735414 1418984445 /nfs/dbraw/zinc/98/44/45/1418984445.db2.gz POJWRVGJLMVKJO-HXUWFJFHSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001716735414 1418984448 /nfs/dbraw/zinc/98/44/48/1418984448.db2.gz POJWRVGJLMVKJO-HXUWFJFHSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001716770592 1419000760 /nfs/dbraw/zinc/00/07/60/1419000760.db2.gz KXKNSXWEKZDZPR-SJLPKXTDSA-N 2 1 332.492 2.907 10 30 EFEEMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](CC/C=C\CC)CC1 ZINC001716806021 1419020281 /nfs/dbraw/zinc/02/02/81/1419020281.db2.gz JXYKZDGDQIHRCO-HTJOGQSXSA-N 2 1 345.531 2.609 10 30 EFEEMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC[NH+](CC=C(C)C)CC1 ZINC001716809950 1419023470 /nfs/dbraw/zinc/02/34/70/1419023470.db2.gz YFQQLHKATMHAQD-OALUTQOASA-N 2 1 345.531 2.609 10 30 EFEEMP C#CCN(C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)C1CC[NH+](CCC=C)CC1 ZINC001716810681 1419024471 /nfs/dbraw/zinc/02/44/71/1419024471.db2.gz ZQLHOPPTBAEBAP-ICSRJNTNSA-N 2 1 343.515 2.506 10 30 EFEEMP C=CCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001716829826 1419036819 /nfs/dbraw/zinc/03/68/19/1419036819.db2.gz DEWNJTZDFDVJIP-SFHLNBCPSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001716829826 1419036822 /nfs/dbraw/zinc/03/68/22/1419036822.db2.gz DEWNJTZDFDVJIP-SFHLNBCPSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001716829826 1419036825 /nfs/dbraw/zinc/03/68/25/1419036825.db2.gz DEWNJTZDFDVJIP-SFHLNBCPSA-N 2 1 347.547 2.997 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001716830397 1419038197 /nfs/dbraw/zinc/03/81/97/1419038197.db2.gz OLQCATBNKSLJIQ-IBGZPJMESA-N 2 1 333.520 2.609 10 30 EFEEMP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001716869698 1419065986 /nfs/dbraw/zinc/06/59/86/1419065986.db2.gz WBOUXVIETVXRPS-ICSRJNTNSA-N 2 1 335.536 2.901 10 30 EFEEMP C#CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001716885610 1419074648 /nfs/dbraw/zinc/07/46/48/1419074648.db2.gz XWWIGEAJNTWWGX-IBGZPJMESA-N 2 1 345.531 2.635 10 30 EFEEMP C=CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001716896531 1419083987 /nfs/dbraw/zinc/08/39/87/1419083987.db2.gz UMMVNSVIIJARPU-UYAOXDASSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001716896531 1419083990 /nfs/dbraw/zinc/08/39/90/1419083990.db2.gz UMMVNSVIIJARPU-UYAOXDASSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001716896531 1419083993 /nfs/dbraw/zinc/08/39/93/1419083993.db2.gz UMMVNSVIIJARPU-UYAOXDASSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001716896529 1419084301 /nfs/dbraw/zinc/08/43/01/1419084301.db2.gz UMMVNSVIIJARPU-QUCCMNQESA-N 2 1 333.520 2.798 10 30 EFEEMP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001716896529 1419084303 /nfs/dbraw/zinc/08/43/03/1419084303.db2.gz UMMVNSVIIJARPU-QUCCMNQESA-N 2 1 333.520 2.798 10 30 EFEEMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001716896529 1419084307 /nfs/dbraw/zinc/08/43/07/1419084307.db2.gz UMMVNSVIIJARPU-QUCCMNQESA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001716910165 1419091837 /nfs/dbraw/zinc/09/18/37/1419091837.db2.gz DADFMPPYFMVZEZ-HZPDHXFCSA-N 2 1 343.462 2.510 10 30 EFEEMP C=CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001716910165 1419091838 /nfs/dbraw/zinc/09/18/38/1419091838.db2.gz DADFMPPYFMVZEZ-HZPDHXFCSA-N 2 1 343.462 2.510 10 30 EFEEMP C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001716910165 1419091841 /nfs/dbraw/zinc/09/18/41/1419091841.db2.gz DADFMPPYFMVZEZ-HZPDHXFCSA-N 2 1 343.462 2.510 10 30 EFEEMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCCC[NH+]1CCCC1)C2 ZINC001717000348 1419135566 /nfs/dbraw/zinc/13/55/66/1419135566.db2.gz MPKVLXKIGOIBSB-REPLKXPHSA-N 2 1 333.520 2.798 10 30 EFEEMP C#CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001717005101 1419141073 /nfs/dbraw/zinc/14/10/73/1419141073.db2.gz NKLIKNBMEYREBT-FQEVSTJZSA-N 2 1 341.499 2.501 10 30 EFEEMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001717036509 1419169189 /nfs/dbraw/zinc/16/91/89/1419169189.db2.gz URKWCMLTFACUSO-VQTJNVASSA-N 2 1 345.531 2.730 10 30 EFEEMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001717036509 1419169195 /nfs/dbraw/zinc/16/91/95/1419169195.db2.gz URKWCMLTFACUSO-VQTJNVASSA-N 2 1 345.531 2.730 10 30 EFEEMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001717036509 1419169201 /nfs/dbraw/zinc/16/92/01/1419169201.db2.gz URKWCMLTFACUSO-VQTJNVASSA-N 2 1 345.531 2.730 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001717042911 1419176646 /nfs/dbraw/zinc/17/66/46/1419176646.db2.gz MCLLTPXCLVBRGD-GBESFXJTSA-N 2 1 335.536 2.996 10 30 EFEEMP C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001717106275 1419212251 /nfs/dbraw/zinc/21/22/51/1419212251.db2.gz MFRWGQXHJMDWRT-ICSRJNTNSA-N 2 1 341.499 2.531 10 30 EFEEMP C#CCC[NH+](C)Cc1ccccc1CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001717117408 1419221207 /nfs/dbraw/zinc/22/12/07/1419221207.db2.gz RQPXCSOKJWXBFD-HDICACEKSA-N 2 1 341.499 2.631 10 30 EFEEMP C#CCC[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001717117408 1419221210 /nfs/dbraw/zinc/22/12/10/1419221210.db2.gz RQPXCSOKJWXBFD-HDICACEKSA-N 2 1 341.499 2.631 10 30 EFEEMP C#CCC[N@H+](C)Cc1ccccc1CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001717117408 1419221214 /nfs/dbraw/zinc/22/12/14/1419221214.db2.gz RQPXCSOKJWXBFD-HDICACEKSA-N 2 1 341.499 2.631 10 30 EFEEMP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001717122693 1419224440 /nfs/dbraw/zinc/22/44/40/1419224440.db2.gz MTHMCVMWVHQQAH-BZSNNMDCSA-N 2 1 344.503 2.595 10 30 EFEEMP C=CCC[C@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001717122339 1419224589 /nfs/dbraw/zinc/22/45/89/1419224589.db2.gz AGILBNXEXWZCJX-VJANTYMQSA-N 2 1 335.536 2.948 10 30 EFEEMP C=C(C)C[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[N@H+](C)CCC ZINC001717245016 1419286964 /nfs/dbraw/zinc/28/69/64/1419286964.db2.gz LUCRRJOSUGJMIN-HXUWFJFHSA-N 2 1 343.515 2.838 10 30 EFEEMP C=C(C)C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001717245016 1419286968 /nfs/dbraw/zinc/28/69/68/1419286968.db2.gz LUCRRJOSUGJMIN-HXUWFJFHSA-N 2 1 343.515 2.838 10 30 EFEEMP C=C(C)C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001717245016 1419286972 /nfs/dbraw/zinc/28/69/72/1419286972.db2.gz LUCRRJOSUGJMIN-HXUWFJFHSA-N 2 1 343.515 2.838 10 30 EFEEMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001717247916 1419290965 /nfs/dbraw/zinc/29/09/65/1419290965.db2.gz RBRQSNVJQMBIIH-UYAOXDASSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001717310374 1419322822 /nfs/dbraw/zinc/32/28/22/1419322822.db2.gz GMMSHPGOIPPLTL-DLBZAZTESA-N 2 1 335.536 2.900 10 30 EFEEMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C(C)(C)C1 ZINC001717311561 1419323632 /nfs/dbraw/zinc/32/36/32/1419323632.db2.gz CUWGJLHUWHWRGJ-RBUKOAKNSA-N 2 1 341.499 2.529 10 30 EFEEMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C(C)(C)C1 ZINC001717311561 1419323636 /nfs/dbraw/zinc/32/36/36/1419323636.db2.gz CUWGJLHUWHWRGJ-RBUKOAKNSA-N 2 1 341.499 2.529 10 30 EFEEMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C(C)(C)C1 ZINC001717311561 1419323639 /nfs/dbraw/zinc/32/36/39/1419323639.db2.gz CUWGJLHUWHWRGJ-RBUKOAKNSA-N 2 1 341.499 2.529 10 30 EFEEMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001717371486 1419363509 /nfs/dbraw/zinc/36/35/09/1419363509.db2.gz QDHNSYGBLSSWPG-PMACEKPBSA-N 2 1 345.531 2.730 10 30 EFEEMP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001717371486 1419363510 /nfs/dbraw/zinc/36/35/10/1419363510.db2.gz QDHNSYGBLSSWPG-PMACEKPBSA-N 2 1 345.531 2.730 10 30 EFEEMP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001717371486 1419363516 /nfs/dbraw/zinc/36/35/16/1419363516.db2.gz QDHNSYGBLSSWPG-PMACEKPBSA-N 2 1 345.531 2.730 10 30 EFEEMP C=C(C)C[NH2+]CC1(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CCCCC1 ZINC001717523761 1419426809 /nfs/dbraw/zinc/42/68/09/1419426809.db2.gz DFWCSGMOVFJQQA-ROUUACIJSA-N 2 1 333.520 2.988 10 30 EFEEMP CC#CC[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+](CCC)C2)CCCCC1 ZINC001717525348 1419427694 /nfs/dbraw/zinc/42/76/94/1419427694.db2.gz NBNANHFOQWGNOK-SFHVURJKSA-N 2 1 333.520 2.540 10 30 EFEEMP C=CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001717538097 1419434162 /nfs/dbraw/zinc/43/41/62/1419434162.db2.gz OMFZFVWIOXZSOG-GOSISDBHSA-N 2 1 333.520 2.942 10 30 EFEEMP C=CCCC[N@H+]1CCCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001717538098 1419434195 /nfs/dbraw/zinc/43/41/95/1419434195.db2.gz OMFZFVWIOXZSOG-SFHVURJKSA-N 2 1 333.520 2.942 10 30 EFEEMP C=CCC[N@H+]1C[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001717588451 1419460027 /nfs/dbraw/zinc/46/00/27/1419460027.db2.gz AMNKDNKBKLPJDR-ZWKOTPCHSA-N 2 1 329.488 2.692 10 30 EFEEMP C=CCC[N@@H+]1C[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001717588451 1419460029 /nfs/dbraw/zinc/46/00/29/1419460029.db2.gz AMNKDNKBKLPJDR-ZWKOTPCHSA-N 2 1 329.488 2.692 10 30 EFEEMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](c3ccccc3)[N@H+](C)CC)[C@@H]2C1 ZINC001717604235 1419465685 /nfs/dbraw/zinc/46/56/85/1419465685.db2.gz OWZGPVODKBFMIN-YSTOQKLRSA-N 2 1 341.499 2.550 10 30 EFEEMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](c3ccccc3)[NH+](C)CC)[C@@H]2C1 ZINC001717604235 1419465687 /nfs/dbraw/zinc/46/56/87/1419465687.db2.gz OWZGPVODKBFMIN-YSTOQKLRSA-N 2 1 341.499 2.550 10 30 EFEEMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](c3ccccc3)[NH+](C)CC)[C@@H]2C1 ZINC001717604235 1419465689 /nfs/dbraw/zinc/46/56/89/1419465689.db2.gz OWZGPVODKBFMIN-YSTOQKLRSA-N 2 1 341.499 2.550 10 30 EFEEMP C=CCCCCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001717626396 1419475934 /nfs/dbraw/zinc/47/59/34/1419475934.db2.gz HECKWRXCHTXIJW-GOSISDBHSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCCCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001717626396 1419475936 /nfs/dbraw/zinc/47/59/36/1419475936.db2.gz HECKWRXCHTXIJW-GOSISDBHSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCCCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001717626396 1419475937 /nfs/dbraw/zinc/47/59/37/1419475937.db2.gz HECKWRXCHTXIJW-GOSISDBHSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001717628306 1419477461 /nfs/dbraw/zinc/47/74/61/1419477461.db2.gz QKOZJXVSILVWEE-ZWKOTPCHSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001717628306 1419477463 /nfs/dbraw/zinc/47/74/63/1419477463.db2.gz QKOZJXVSILVWEE-ZWKOTPCHSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001717628306 1419477466 /nfs/dbraw/zinc/47/74/66/1419477466.db2.gz QKOZJXVSILVWEE-ZWKOTPCHSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC001717630293 1419478401 /nfs/dbraw/zinc/47/84/01/1419478401.db2.gz LEVPNCCPBMVUFB-ROUUACIJSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCCCCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC001717632273 1419480736 /nfs/dbraw/zinc/48/07/36/1419480736.db2.gz FNLLWUWTJRCSTD-SESVDKBCSA-N 2 1 347.547 2.855 10 30 EFEEMP C=CCCCCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC001717632273 1419480738 /nfs/dbraw/zinc/48/07/38/1419480738.db2.gz FNLLWUWTJRCSTD-SESVDKBCSA-N 2 1 347.547 2.855 10 30 EFEEMP C=CCCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC001717632273 1419480740 /nfs/dbraw/zinc/48/07/40/1419480740.db2.gz FNLLWUWTJRCSTD-SESVDKBCSA-N 2 1 347.547 2.855 10 30 EFEEMP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001717640901 1419483826 /nfs/dbraw/zinc/48/38/26/1419483826.db2.gz OILWUWXZUPGCFT-BZSNNMDCSA-N 2 1 333.520 2.702 10 30 EFEEMP C=C(C)CC[NH2+][C@H](CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC001717721656 1419525616 /nfs/dbraw/zinc/52/56/16/1419525616.db2.gz IMEOAGAPKLRCSE-PKOBYXMFSA-N 2 1 346.519 2.841 10 30 EFEEMP C=CCCCCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@H+]3C)CCC[C@H]12 ZINC001717830705 1419562217 /nfs/dbraw/zinc/56/22/17/1419562217.db2.gz BATPHTSWCKODMM-CMKODMSKSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCCCCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@@H+]3C)CCC[C@H]12 ZINC001717830705 1419562221 /nfs/dbraw/zinc/56/22/21/1419562221.db2.gz BATPHTSWCKODMM-CMKODMSKSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C)CCC[C@H]12 ZINC001717830705 1419562223 /nfs/dbraw/zinc/56/22/23/1419562223.db2.gz BATPHTSWCKODMM-CMKODMSKSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C)CCC[C@H]12 ZINC001717830705 1419562225 /nfs/dbraw/zinc/56/22/25/1419562225.db2.gz BATPHTSWCKODMM-CMKODMSKSA-N 2 1 333.520 2.940 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C(C)(C)C ZINC001717967992 1419633616 /nfs/dbraw/zinc/63/36/16/1419633616.db2.gz QCYQPQUYGMZFON-SJLPKXTDSA-N 2 1 346.519 2.841 10 30 EFEEMP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C(C)(C)C ZINC001717973872 1419636289 /nfs/dbraw/zinc/63/62/89/1419636289.db2.gz NAMXHVSPEABRMB-QZTJIDSGSA-N 2 1 331.504 2.986 10 30 EFEEMP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001717980707 1419640315 /nfs/dbraw/zinc/64/03/15/1419640315.db2.gz IHYBYGLDTAHKFF-APWZRJJASA-N 2 1 329.488 2.692 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001718033883 1419672074 /nfs/dbraw/zinc/67/20/74/1419672074.db2.gz YXENGDYIYZXTAL-SFHVURJKSA-N 2 1 333.520 2.965 10 30 EFEEMP C=CC[NH2+]Cc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+]2C)c(F)c1 ZINC001718034966 1419672796 /nfs/dbraw/zinc/67/27/96/1419672796.db2.gz VDMXHZQXSHGEQP-QGZVFWFLSA-N 2 1 333.451 2.592 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001723605592 1424530246 /nfs/dbraw/zinc/53/02/46/1424530246.db2.gz AFVCEKNABRTJKI-RBUKOAKNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001723610112 1424534993 /nfs/dbraw/zinc/53/49/93/1424534993.db2.gz YZDNDEWWEIGKGH-RTBURBONSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001723610112 1424534997 /nfs/dbraw/zinc/53/49/97/1424534997.db2.gz YZDNDEWWEIGKGH-RTBURBONSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001723610112 1424534999 /nfs/dbraw/zinc/53/49/99/1424534999.db2.gz YZDNDEWWEIGKGH-RTBURBONSA-N 2 1 335.536 2.997 10 30 EFEEMP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001723614692 1424536865 /nfs/dbraw/zinc/53/68/65/1424536865.db2.gz LGBSSJPVMNRTBH-XUBOLADHSA-N 2 1 345.531 2.633 10 30 EFEEMP C=C(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001723616299 1424537196 /nfs/dbraw/zinc/53/71/96/1424537196.db2.gz BMHBNEMOAHSRBI-DWBSNAHUSA-N 2 1 333.520 2.795 10 30 EFEEMP C=CCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001723631691 1424539812 /nfs/dbraw/zinc/53/98/12/1424539812.db2.gz BUDRCMIXOHRBMQ-QRVBRYPASA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[NH+]1C ZINC001723631691 1424539817 /nfs/dbraw/zinc/53/98/17/1424539817.db2.gz BUDRCMIXOHRBMQ-QRVBRYPASA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[NH+]1C ZINC001723631691 1424539823 /nfs/dbraw/zinc/53/98/23/1424539823.db2.gz BUDRCMIXOHRBMQ-QRVBRYPASA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001723631725 1424540214 /nfs/dbraw/zinc/54/02/14/1424540214.db2.gz CDZQSGRBJDGGKZ-YDZRNGNQSA-N 2 1 333.520 2.748 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001723631725 1424540218 /nfs/dbraw/zinc/54/02/18/1424540218.db2.gz CDZQSGRBJDGGKZ-YDZRNGNQSA-N 2 1 333.520 2.748 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001723631725 1424540221 /nfs/dbraw/zinc/54/02/21/1424540221.db2.gz CDZQSGRBJDGGKZ-YDZRNGNQSA-N 2 1 333.520 2.748 10 30 EFEEMP C=CCCC[N@H+](CC1CC1)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001723647760 1424546441 /nfs/dbraw/zinc/54/64/41/1424546441.db2.gz QSEUAQOBACGRSV-UHFFFAOYSA-N 2 1 344.503 2.861 10 30 EFEEMP C=CCCC[N@@H+](CC1CC1)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001723647760 1424546447 /nfs/dbraw/zinc/54/64/47/1424546447.db2.gz QSEUAQOBACGRSV-UHFFFAOYSA-N 2 1 344.503 2.861 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001723692038 1424558512 /nfs/dbraw/zinc/55/85/12/1424558512.db2.gz VZLXDHXHCYESTI-HXUWFJFHSA-N 2 1 344.503 2.862 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001723692038 1424558515 /nfs/dbraw/zinc/55/85/15/1424558515.db2.gz VZLXDHXHCYESTI-HXUWFJFHSA-N 2 1 344.503 2.862 10 30 EFEEMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001723742050 1424572715 /nfs/dbraw/zinc/57/27/15/1424572715.db2.gz IVENBOQIYAKOOZ-OAQYLSRUSA-N 2 1 345.531 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EFEEMP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001271770898 1102639704 /nfs/dbraw/zinc/63/97/04/1102639704.db2.gz ZRNSAXILGXOWSF-VJANTYMQSA-N 2 1 333.520 2.702 10 30 EFEEMP CC#CC[N@@H+](C)CCC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001271784581 1102669693 /nfs/dbraw/zinc/66/96/93/1102669693.db2.gz LEVCGVQEUKSSPE-LJQANCHMSA-N 2 1 347.547 2.835 10 30 EFEEMP C=C(C)CC[N@H+](CC)CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001660581891 1102862638 /nfs/dbraw/zinc/86/26/38/1102862638.db2.gz QWASEFGCMPLLSS-KRWDZBQOSA-N 2 1 332.492 2.548 10 30 EFEEMP C=C(C)CC[N@@H+](CC)CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001660581891 1102862656 /nfs/dbraw/zinc/86/26/56/1102862656.db2.gz QWASEFGCMPLLSS-KRWDZBQOSA-N 2 1 332.492 2.548 10 30 EFEEMP CCCCCCC[N@H+]1C[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC001271867446 1102950282 /nfs/dbraw/zinc/95/02/82/1102950282.db2.gz SZPOQRGYIUGMPK-HDICACEKSA-N 2 1 332.492 2.552 10 30 EFEEMP CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C1 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EFEEMP C=CC[NH2+]C[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C1CCCC1 ZINC001671569538 1105660957 /nfs/dbraw/zinc/66/09/57/1105660957.db2.gz HXSSZWBSYCJFFB-OALUTQOASA-N 2 1 329.488 2.740 10 30 EFEEMP C=CC[NH+]1CCC[C@](C)(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001671908780 1105727648 /nfs/dbraw/zinc/72/76/48/1105727648.db2.gz WJPORPVSORTDNX-MOPGFXCFSA-N 2 1 339.499 2.603 10 30 EFEEMP C=CC[N@H+]1CCC[C@](C)(CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001671908780 1105727651 /nfs/dbraw/zinc/72/76/51/1105727651.db2.gz WJPORPVSORTDNX-MOPGFXCFSA-N 2 1 339.499 2.603 10 30 EFEEMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001671908780 1105727654 /nfs/dbraw/zinc/72/76/54/1105727654.db2.gz WJPORPVSORTDNX-MOPGFXCFSA-N 2 1 339.499 2.603 10 30 EFEEMP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001672376430 1105817198 /nfs/dbraw/zinc/81/71/98/1105817198.db2.gz BVFNMNIUXYPRRR-MUGJNUQGSA-N 2 1 345.531 2.539 10 30 EFEEMP CCCCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001672538165 1105863968 /nfs/dbraw/zinc/86/39/68/1105863968.db2.gz NPAGNOUFSHKCTK-IPMKNSEASA-N 2 1 335.536 2.974 10 30 EFEEMP CCCCCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001672538165 1105863979 /nfs/dbraw/zinc/86/39/79/1105863979.db2.gz NPAGNOUFSHKCTK-IPMKNSEASA-N 2 1 335.536 2.974 10 30 EFEEMP CCCCCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001672538165 1105863983 /nfs/dbraw/zinc/86/39/83/1105863983.db2.gz NPAGNOUFSHKCTK-IPMKNSEASA-N 2 1 335.536 2.974 10 30 EFEEMP C=CC[NH+](C)Cc1ccccc1CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001672933599 1105941869 /nfs/dbraw/zinc/94/18/69/1105941869.db2.gz FXLNOIUWGHGWMG-CALCHBBNSA-N 2 1 329.488 2.793 10 30 EFEEMP C=CC[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001672933599 1105941872 /nfs/dbraw/zinc/94/18/72/1105941872.db2.gz FXLNOIUWGHGWMG-CALCHBBNSA-N 2 1 329.488 2.793 10 30 EFEEMP C=CC[N@H+](C)Cc1ccccc1CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001672933599 1105941874 /nfs/dbraw/zinc/94/18/74/1105941874.db2.gz FXLNOIUWGHGWMG-CALCHBBNSA-N 2 1 329.488 2.793 10 30 EFEEMP C=CCC[NH2+][C@@H](C)c1ccc(CNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001672943462 1105944994 /nfs/dbraw/zinc/94/49/94/1105944994.db2.gz MOTWCMSRUSKBSJ-FUHWJXTLSA-N 2 1 329.488 2.871 10 30 EFEEMP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)C[N@H+]2CC[C@H](C)C2)cc1 ZINC001672943936 1105946594 /nfs/dbraw/zinc/94/65/94/1105946594.db2.gz UMDZYEROORSCRQ-DLBZAZTESA-N 2 1 329.488 2.871 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001673008567 1105958159 /nfs/dbraw/zinc/95/81/59/1105958159.db2.gz IWVZBCNSHYHDOM-KZNAEPCWSA-N 2 1 333.520 2.606 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCCCCC)CC1 ZINC001673381036 1106010980 /nfs/dbraw/zinc/01/09/80/1106010980.db2.gz PZEUEICAZBWQAC-OALUTQOASA-N 2 1 333.520 2.635 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCCCCC)CC1 ZINC001673381036 1106010983 /nfs/dbraw/zinc/01/09/83/1106010983.db2.gz PZEUEICAZBWQAC-OALUTQOASA-N 2 1 333.520 2.635 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCCCC)CC1 ZINC001673381036 1106010987 /nfs/dbraw/zinc/01/09/87/1106010987.db2.gz PZEUEICAZBWQAC-OALUTQOASA-N 2 1 333.520 2.635 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCCCC)CC1 ZINC001673381036 1106010991 /nfs/dbraw/zinc/01/09/91/1106010991.db2.gz PZEUEICAZBWQAC-OALUTQOASA-N 2 1 333.520 2.635 10 30 EFEEMP C#CCC[NH+]1CCC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001673387957 1106013832 /nfs/dbraw/zinc/01/38/32/1106013832.db2.gz XYGWNTNENNLWMX-KRWDZBQOSA-N 2 1 333.520 2.633 10 30 EFEEMP C#CCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001673387957 1106013838 /nfs/dbraw/zinc/01/38/38/1106013838.db2.gz XYGWNTNENNLWMX-KRWDZBQOSA-N 2 1 333.520 2.633 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001673387957 1106013845 /nfs/dbraw/zinc/01/38/45/1106013845.db2.gz XYGWNTNENNLWMX-KRWDZBQOSA-N 2 1 333.520 2.633 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001673496361 1106033703 /nfs/dbraw/zinc/03/37/03/1106033703.db2.gz KUZLZGFEIZOZLW-WOJBJXKFSA-N 2 1 347.547 2.835 10 30 EFEEMP CC#CC[NH+]1CCC(CCCCCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001673629382 1106057079 /nfs/dbraw/zinc/05/70/79/1106057079.db2.gz JHTWDXWWIVVHKP-UHFFFAOYSA-N 2 1 344.503 2.603 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001673651156 1106068283 /nfs/dbraw/zinc/06/82/83/1106068283.db2.gz RBKKHSHZAOSQMO-ICSRJNTNSA-N 2 1 335.536 2.997 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCCC(C)(C)C)CC1 ZINC001673958977 1106110343 /nfs/dbraw/zinc/11/03/43/1106110343.db2.gz NWJLAQVECDNZCX-SFHVURJKSA-N 2 1 347.547 2.881 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCCC(C)(C)C)CC1 ZINC001673958977 1106110346 /nfs/dbraw/zinc/11/03/46/1106110346.db2.gz NWJLAQVECDNZCX-SFHVURJKSA-N 2 1 347.547 2.881 10 30 EFEEMP C=CCCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001673986297 1106113668 /nfs/dbraw/zinc/11/36/68/1106113668.db2.gz XAKLUEDZEDRXFK-QZTJIDSGSA-N 2 1 333.520 2.940 10 30 EFEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001674018995 1106122048 /nfs/dbraw/zinc/12/20/48/1106122048.db2.gz RPHXZJIMKMPTEH-DLBZAZTESA-N 2 1 344.503 2.637 10 30 EFEEMP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001674018995 1106122049 /nfs/dbraw/zinc/12/20/49/1106122049.db2.gz RPHXZJIMKMPTEH-DLBZAZTESA-N 2 1 344.503 2.637 10 30 EFEEMP C=CCCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001674272599 1106164226 /nfs/dbraw/zinc/16/42/26/1106164226.db2.gz ZSUKDHYUWMZECO-UYAOXDASSA-N 2 1 341.499 2.620 10 30 EFEEMP C=CCCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001674272599 1106164228 /nfs/dbraw/zinc/16/42/28/1106164228.db2.gz ZSUKDHYUWMZECO-UYAOXDASSA-N 2 1 341.499 2.620 10 30 EFEEMP C=CCCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001674272599 1106164229 /nfs/dbraw/zinc/16/42/29/1106164229.db2.gz ZSUKDHYUWMZECO-UYAOXDASSA-N 2 1 341.499 2.620 10 30 EFEEMP C=CCCC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)C(C)C)CC2)CC1 ZINC001674294435 1106167051 /nfs/dbraw/zinc/16/70/51/1106167051.db2.gz MLSDXIYMANFRLA-UHFFFAOYSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001674343587 1106175314 /nfs/dbraw/zinc/17/53/14/1106175314.db2.gz XZMUIGDFINXKCL-UHFFFAOYSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001674429806 1106188415 /nfs/dbraw/zinc/18/84/15/1106188415.db2.gz XCBVPWHFXTZSQK-HSALFYBXSA-N 2 1 341.499 2.809 10 30 EFEEMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001674463150 1106195631 /nfs/dbraw/zinc/19/56/31/1106195631.db2.gz GRBOGBDXZGVTRM-GOSISDBHSA-N 2 1 333.520 2.586 10 30 EFEEMP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001674463150 1106195632 /nfs/dbraw/zinc/19/56/32/1106195632.db2.gz GRBOGBDXZGVTRM-GOSISDBHSA-N 2 1 333.520 2.586 10 30 EFEEMP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001674463150 1106195633 /nfs/dbraw/zinc/19/56/33/1106195633.db2.gz GRBOGBDXZGVTRM-GOSISDBHSA-N 2 1 333.520 2.586 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)C(C)(C)c3cnc[nH]3)C2)C1 ZINC001675678366 1106409258 /nfs/dbraw/zinc/40/92/58/1106409258.db2.gz QEJMEMMMXHVBPR-INIZCTEOSA-N 2 1 344.503 2.966 10 30 EFEEMP C=CCCC[NH+]1C[C@@]2(C)CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC001675688778 1106411165 /nfs/dbraw/zinc/41/11/65/1106411165.db2.gz QHQSGGPSXDEUGX-NRSPTQNISA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC001675688778 1106411169 /nfs/dbraw/zinc/41/11/69/1106411169.db2.gz QHQSGGPSXDEUGX-NRSPTQNISA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC001675688778 1106411173 /nfs/dbraw/zinc/41/11/73/1106411173.db2.gz QHQSGGPSXDEUGX-NRSPTQNISA-N 2 1 347.547 2.997 10 30 EFEEMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@]2(C)C1 ZINC001675692411 1106411481 /nfs/dbraw/zinc/41/14/81/1106411481.db2.gz FJATWAZYNUKFIW-BGYRXZFFSA-N 2 1 335.536 2.711 10 30 EFEEMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@]2(C)C1 ZINC001675692411 1106411482 /nfs/dbraw/zinc/41/14/82/1106411482.db2.gz FJATWAZYNUKFIW-BGYRXZFFSA-N 2 1 335.536 2.711 10 30 EFEEMP CC[NH+]=C(NCCc1[nH+]ccn1Cc1ccccc1)N1CCCC1 ZINC000095350508 1106443778 /nfs/dbraw/zinc/44/37/78/1106443778.db2.gz NOTQAMGRBQPHJW-UHFFFAOYSA-N 2 1 325.460 2.535 10 30 EFEEMP C=CC[NH2+][C@H](CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC001676158351 1106493273 /nfs/dbraw/zinc/49/32/73/1106493273.db2.gz ADJAZOSZNYTFLT-PKOBYXMFSA-N 2 1 335.536 2.948 10 30 EFEEMP C#CCC[NH2+][C@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C(C)C ZINC001676173297 1106494854 /nfs/dbraw/zinc/49/48/54/1106494854.db2.gz HKPNPYULNIVZLY-UXHICEINSA-N 2 1 347.547 2.927 10 30 EFEEMP C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC001676894141 1106620357 /nfs/dbraw/zinc/62/03/57/1106620357.db2.gz NNJDVNMFRAURLP-FUHWJXTLSA-N 2 1 332.492 2.907 10 30 EFEEMP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC001676894141 1106620359 /nfs/dbraw/zinc/62/03/59/1106620359.db2.gz NNJDVNMFRAURLP-FUHWJXTLSA-N 2 1 332.492 2.907 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC/C=C/CCC)C(C)(C)C1 ZINC001677003803 1106647211 /nfs/dbraw/zinc/64/72/11/1106647211.db2.gz LITBNLLAJDUVPS-WARJXXDVSA-N 2 1 345.531 2.657 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC/C=C/CCC)C(C)(C)C1 ZINC001677003803 1106647215 /nfs/dbraw/zinc/64/72/15/1106647215.db2.gz LITBNLLAJDUVPS-WARJXXDVSA-N 2 1 345.531 2.657 10 30 EFEEMP C=CCCC[NH2+]C[C@H](NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C(C)(C)C ZINC001677276354 1106688683 /nfs/dbraw/zinc/68/86/83/1106688683.db2.gz BASNPDCUHUGNRJ-WMZOPIPTSA-N 2 1 346.519 2.841 10 30 EFEEMP C=CCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CCC)CC[C@H]1C(F)(F)F ZINC001677376642 1106709719 /nfs/dbraw/zinc/70/97/19/1106709719.db2.gz XXCMDTXRQMPIKI-HUUCEWRRSA-N 2 1 349.441 2.663 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001677624928 1106787392 /nfs/dbraw/zinc/78/73/92/1106787392.db2.gz YCOQLUHNOFWDDN-PXNSSMCTSA-N 2 1 331.504 2.575 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CC=C(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001677624928 1106787405 /nfs/dbraw/zinc/78/74/05/1106787405.db2.gz YCOQLUHNOFWDDN-PXNSSMCTSA-N 2 1 331.504 2.575 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CC=C(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001677624928 1106787417 /nfs/dbraw/zinc/78/74/17/1106787417.db2.gz YCOQLUHNOFWDDN-PXNSSMCTSA-N 2 1 331.504 2.575 10 30 EFEEMP C=CCC[C@H](C)[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)c(F)c1 ZINC001677648257 1106810009 /nfs/dbraw/zinc/81/00/09/1106810009.db2.gz JRITUPAVAKSDGQ-MAUKXSAKSA-N 2 1 347.478 2.838 10 30 EFEEMP C=CCC[C@@H](C)[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)c(F)c1 ZINC001677648258 1106810857 /nfs/dbraw/zinc/81/08/57/1106810857.db2.gz JRITUPAVAKSDGQ-QAPCUYQASA-N 2 1 347.478 2.838 10 30 EFEEMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001483811966 1112479304 /nfs/dbraw/zinc/47/93/04/1112479304.db2.gz GXWCJWIPBYKIGA-HSALFYBXSA-N 2 1 341.499 2.931 10 30 EFEEMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001483811966 1112479307 /nfs/dbraw/zinc/47/93/07/1112479307.db2.gz GXWCJWIPBYKIGA-HSALFYBXSA-N 2 1 341.499 2.931 10 30 EFEEMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001483811966 1112479310 /nfs/dbraw/zinc/47/93/10/1112479310.db2.gz GXWCJWIPBYKIGA-HSALFYBXSA-N 2 1 341.499 2.931 10 30 EFEEMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001483811966 1112479314 /nfs/dbraw/zinc/47/93/14/1112479314.db2.gz GXWCJWIPBYKIGA-HSALFYBXSA-N 2 1 341.499 2.931 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001483840749 1112516808 /nfs/dbraw/zinc/51/68/08/1112516808.db2.gz CWGGZOUGVXNWBX-HXUWFJFHSA-N 2 1 347.547 2.999 10 30 EFEEMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001483977056 1112618827 /nfs/dbraw/zinc/61/88/27/1112618827.db2.gz SJAKPAPACPUIBW-GJZGRUSLSA-N 2 1 327.900 2.582 10 30 EFEEMP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1ccc2ccccc2c1 ZINC001483991945 1112626503 /nfs/dbraw/zinc/62/65/03/1112626503.db2.gz FXIRYVQYGOXRLX-NHCUHLMSSA-N 2 1 349.478 2.704 10 30 EFEEMP C#CCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)C1CC[NH+](CC(=C)C)CC1 ZINC001483986734 1112632042 /nfs/dbraw/zinc/63/20/42/1112632042.db2.gz QKHABMAZASWCIE-LJQANCHMSA-N 2 1 345.531 2.611 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCC1 ZINC001484006813 1112650455 /nfs/dbraw/zinc/65/04/55/1112650455.db2.gz NDBDWLSBTPUZLN-YTQUADARSA-N 2 1 335.536 2.948 10 30 EFEEMP CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001484022939 1112676294 /nfs/dbraw/zinc/67/62/94/1112676294.db2.gz RRRINYZHNXPKKU-FPOVZHCZSA-N 2 1 347.547 2.835 10 30 EFEEMP C=CCCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001484199257 1112921150 /nfs/dbraw/zinc/92/11/50/1112921150.db2.gz QXTODULVSIBCGZ-CVEARBPZSA-N 2 1 343.462 2.510 10 30 EFEEMP C=CCCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001484199257 1112921156 /nfs/dbraw/zinc/92/11/56/1112921156.db2.gz QXTODULVSIBCGZ-CVEARBPZSA-N 2 1 343.462 2.510 10 30 EFEEMP C=CCCC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001484554950 1113008651 /nfs/dbraw/zinc/00/86/51/1113008651.db2.gz FLSFWQGDNNSALW-IBGZPJMESA-N 2 1 329.488 2.795 10 30 EFEEMP C=CCCC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001484554950 1113008655 /nfs/dbraw/zinc/00/86/55/1113008655.db2.gz FLSFWQGDNNSALW-IBGZPJMESA-N 2 1 329.488 2.795 10 30 EFEEMP C=CCCC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001484554950 1113008660 /nfs/dbraw/zinc/00/86/60/1113008660.db2.gz FLSFWQGDNNSALW-IBGZPJMESA-N 2 1 329.488 2.795 10 30 EFEEMP CC#CC[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001484557248 1113008888 /nfs/dbraw/zinc/00/88/88/1113008888.db2.gz HSZCNHLUAUIFEY-UHFFFAOYSA-N 2 1 343.515 2.736 10 30 EFEEMP C=CC[N@H+](C)Cc1ccccc1CNC(=O)c1cccc2nccn21 ZINC001484556143 1113016681 /nfs/dbraw/zinc/01/66/81/1113016681.db2.gz KUVWCVIGPAGJFS-UHFFFAOYSA-N 2 1 334.423 2.882 10 30 EFEEMP C=CCC[N@H+](C)Cc1ccccc1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001272684830 1113018940 /nfs/dbraw/zinc/01/89/40/1113018940.db2.gz XSJZIUZVRMFAFY-QGZVFWFLSA-N 2 1 329.488 2.653 10 30 EFEEMP C=CCC[NH+](C)Cc1ccccc1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001272684830 1113018943 /nfs/dbraw/zinc/01/89/43/1113018943.db2.gz XSJZIUZVRMFAFY-QGZVFWFLSA-N 2 1 329.488 2.653 10 30 EFEEMP C=CCC[NH+](C)Cc1ccccc1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001272684830 1113018945 /nfs/dbraw/zinc/01/89/45/1113018945.db2.gz XSJZIUZVRMFAFY-QGZVFWFLSA-N 2 1 329.488 2.653 10 30 EFEEMP C=CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001484825982 1117764386 /nfs/dbraw/zinc/76/43/86/1117764386.db2.gz ZRHDXFXDMUDAFK-PMACEKPBSA-N 2 1 343.515 2.692 10 30 EFEEMP C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001485003554 1117932205 /nfs/dbraw/zinc/93/22/05/1117932205.db2.gz CHFLDBWLQFDWCC-RTBURBONSA-N 2 1 347.478 2.568 10 30 EFEEMP C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001485003554 1117932208 /nfs/dbraw/zinc/93/22/08/1117932208.db2.gz CHFLDBWLQFDWCC-RTBURBONSA-N 2 1 347.478 2.568 10 30 EFEEMP C#CC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)CCCCCC)CC2)CC1 ZINC001485011104 1117942806 /nfs/dbraw/zinc/94/28/06/1117942806.db2.gz FGAFDMUZIXNXRF-UHFFFAOYSA-N 2 1 347.547 2.836 10 30 EFEEMP C=C(C)CC[N@H+](CC)CC1CCN(C(=O)Cn2cncc2C)CC1 ZINC001485030902 1117955850 /nfs/dbraw/zinc/95/58/50/1117955850.db2.gz MODYMNATVGTDJB-UHFFFAOYSA-N 2 1 332.492 2.718 10 30 EFEEMP C=C(C)CC[N@@H+](CC)CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001485030902 1117955854 /nfs/dbraw/zinc/95/58/54/1117955854.db2.gz MODYMNATVGTDJB-UHFFFAOYSA-N 2 1 332.492 2.718 10 30 EFEEMP C=C(C)CC[N@H+](CC)CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001485030902 1117955859 /nfs/dbraw/zinc/95/58/59/1117955859.db2.gz MODYMNATVGTDJB-UHFFFAOYSA-N 2 1 332.492 2.718 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](CC)CC1CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001485033410 1117966048 /nfs/dbraw/zinc/96/60/48/1117966048.db2.gz GRVYHSJVHHPLFG-MRXNPFEDSA-N 2 1 332.492 2.867 10 30 EFEEMP C=C(Cl)C[N@@H+](CC)CC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001485033323 1117966074 /nfs/dbraw/zinc/96/60/74/1117966074.db2.gz DFRMJLFYRIFBMJ-QGZVFWFLSA-N 2 1 341.927 2.641 10 30 EFEEMP C=C(Cl)C[NH+](CC)CC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001485033323 1117966079 /nfs/dbraw/zinc/96/60/79/1117966079.db2.gz DFRMJLFYRIFBMJ-QGZVFWFLSA-N 2 1 341.927 2.641 10 30 EFEEMP C#CC[N@H+](CC)CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001485034322 1117968434 /nfs/dbraw/zinc/96/84/34/1117968434.db2.gz VNUIPOJMIDOYPY-FQEVSTJZSA-N 2 1 347.547 2.691 10 30 EFEEMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001485066954 1117989318 /nfs/dbraw/zinc/98/93/18/1117989318.db2.gz FFGGMADUIIAHPM-UXHICEINSA-N 2 1 345.531 2.730 10 30 EFEEMP CC#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001485066954 1117989324 /nfs/dbraw/zinc/98/93/24/1117989324.db2.gz FFGGMADUIIAHPM-UXHICEINSA-N 2 1 345.531 2.730 10 30 EFEEMP CC#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001485066954 1117989328 /nfs/dbraw/zinc/98/93/28/1117989328.db2.gz FFGGMADUIIAHPM-UXHICEINSA-N 2 1 345.531 2.730 10 30 EFEEMP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC001485058476 1117996874 /nfs/dbraw/zinc/99/68/74/1117996874.db2.gz OCKFHSRWGDDKLX-MRXNPFEDSA-N 2 1 335.517 2.922 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001485071166 1118008692 /nfs/dbraw/zinc/00/86/92/1118008692.db2.gz KLMIRXKUAOFZPF-IAGOWNOFSA-N 2 1 341.927 2.925 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001485071166 1118008697 /nfs/dbraw/zinc/00/86/97/1118008697.db2.gz KLMIRXKUAOFZPF-IAGOWNOFSA-N 2 1 341.927 2.925 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001485071166 1118008701 /nfs/dbraw/zinc/00/87/01/1118008701.db2.gz KLMIRXKUAOFZPF-IAGOWNOFSA-N 2 1 341.927 2.925 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001485071166 1118008707 /nfs/dbraw/zinc/00/87/07/1118008707.db2.gz KLMIRXKUAOFZPF-IAGOWNOFSA-N 2 1 341.927 2.925 10 30 EFEEMP C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001485085323 1118024524 /nfs/dbraw/zinc/02/45/24/1118024524.db2.gz ZYWKZYROJAYYLQ-RBUKOAKNSA-N 2 1 344.503 2.718 10 30 EFEEMP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001485085323 1118024527 /nfs/dbraw/zinc/02/45/27/1118024527.db2.gz ZYWKZYROJAYYLQ-RBUKOAKNSA-N 2 1 344.503 2.718 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001485082273 1118032777 /nfs/dbraw/zinc/03/27/77/1118032777.db2.gz NVOJWBYXVFRLQM-RTBURBONSA-N 2 1 344.503 2.718 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001485082273 1118032783 /nfs/dbraw/zinc/03/27/83/1118032783.db2.gz NVOJWBYXVFRLQM-RTBURBONSA-N 2 1 344.503 2.718 10 30 EFEEMP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001485653959 1118500968 /nfs/dbraw/zinc/50/09/68/1118500968.db2.gz OXEGSJIMNKUGIY-BZSNNMDCSA-N 2 1 333.520 2.654 10 30 EFEEMP C=CCCC[N@H+]1CCCC2(CN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001485663218 1118512481 /nfs/dbraw/zinc/51/24/81/1118512481.db2.gz URUGTALFVDCTJS-UHFFFAOYSA-N 2 1 345.531 2.753 10 30 EFEEMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)CCC[NH+]3CCCCC3)C[C@@]2(C)C1 ZINC001485669010 1118517810 /nfs/dbraw/zinc/51/78/10/1118517810.db2.gz AAGYYIFHENYJDW-OYRHEFFESA-N 2 1 347.547 2.999 10 30 EFEEMP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001485740150 1118552473 /nfs/dbraw/zinc/55/24/73/1118552473.db2.gz IBYVCKSCFABAAY-CVEARBPZSA-N 2 1 329.916 2.876 10 30 EFEEMP C=C(C)CC[N@@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001485763732 1118575776 /nfs/dbraw/zinc/57/57/76/1118575776.db2.gz FEUBXWKVTMTRMI-UHFFFAOYSA-N 2 1 332.492 2.896 10 30 EFEEMP C=C(C)CC[N@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001485763732 1118575778 /nfs/dbraw/zinc/57/57/78/1118575778.db2.gz FEUBXWKVTMTRMI-UHFFFAOYSA-N 2 1 332.492 2.896 10 30 EFEEMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940800796 1118633883 /nfs/dbraw/zinc/63/38/83/1118633883.db2.gz HMHCBBZEUHNXFH-MOPGFXCFSA-N 2 1 345.531 2.633 10 30 EFEEMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000940800796 1118633884 /nfs/dbraw/zinc/63/38/84/1118633884.db2.gz HMHCBBZEUHNXFH-MOPGFXCFSA-N 2 1 345.531 2.633 10 30 EFEEMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940800796 1118633886 /nfs/dbraw/zinc/63/38/86/1118633886.db2.gz HMHCBBZEUHNXFH-MOPGFXCFSA-N 2 1 345.531 2.633 10 30 EFEEMP Cc1nc(C[NH+]2CCC(CNC(=[NH2+])NC3CCCCC3)CC2)oc1C ZINC000262537722 240360177 /nfs/dbraw/zinc/36/01/77/240360177.db2.gz QGFUUJVJRHVKAC-UHFFFAOYSA-N 2 1 347.507 2.740 10 30 EFEEMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000246084106 240264430 /nfs/dbraw/zinc/26/44/30/240264430.db2.gz DZNAOTFNFZZXRY-MSOLQXFVSA-N 2 1 344.503 2.937 10 30 EFEEMP C[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)[C@@H]1c1cccnc1 ZINC000263122892 240380519 /nfs/dbraw/zinc/38/05/19/240380519.db2.gz MEWJOOQYZKQZTI-ICSRJNTNSA-N 2 1 349.482 2.990 10 30 EFEEMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000328978179 241282567 /nfs/dbraw/zinc/28/25/67/241282567.db2.gz CGSAXGADHWABIB-CYJAXWMASA-N 2 1 347.507 2.632 10 30 EFEEMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000328978179 241282571 /nfs/dbraw/zinc/28/25/71/241282571.db2.gz CGSAXGADHWABIB-CYJAXWMASA-N 2 1 347.507 2.632 10 30 EFEEMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000328978179 241282575 /nfs/dbraw/zinc/28/25/75/241282575.db2.gz CGSAXGADHWABIB-CYJAXWMASA-N 2 1 347.507 2.632 10 30 EFEEMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@@H+]1C ZINC000123464165 222282116 /nfs/dbraw/zinc/28/21/16/222282116.db2.gz SINJNVAGDXLFTO-CJNGLKHVSA-N 2 1 348.878 2.955 10 30 EFEEMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@H+]1C ZINC000123464165 222282118 /nfs/dbraw/zinc/28/21/18/222282118.db2.gz SINJNVAGDXLFTO-CJNGLKHVSA-N 2 1 348.878 2.955 10 30 EFEEMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[NH+]1C ZINC000123464165 222282121 /nfs/dbraw/zinc/28/21/21/222282121.db2.gz SINJNVAGDXLFTO-CJNGLKHVSA-N 2 1 348.878 2.955 10 30 EFEEMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[NH+]1C ZINC000123464165 222282124 /nfs/dbraw/zinc/28/21/24/222282124.db2.gz SINJNVAGDXLFTO-CJNGLKHVSA-N 2 1 348.878 2.955 10 30 EFEEMP C=CCC[C@H](C[NH+]1CCCC1)Oc1ccc(-n2cc[nH+]c2C)nn1 ZINC000072428074 472664144 /nfs/dbraw/zinc/66/41/44/472664144.db2.gz KQWYDJMZIAHSMQ-MRXNPFEDSA-N 2 1 327.432 2.780 10 30 EFEEMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000120836089 472755831 /nfs/dbraw/zinc/75/58/31/472755831.db2.gz IPIWLRCHXVDXDM-QGZVFWFLSA-N 2 1 325.460 2.664 10 30 EFEEMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000120836089 472755834 /nfs/dbraw/zinc/75/58/34/472755834.db2.gz IPIWLRCHXVDXDM-QGZVFWFLSA-N 2 1 325.460 2.664 10 30 EFEEMP C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282060031 473933394 /nfs/dbraw/zinc/93/33/94/473933394.db2.gz MPNYZYCCKYVRHT-KRWDZBQOSA-N 2 1 344.503 2.823 10 30 EFEEMP C=C(C)CN(CC)C(=O)CN1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282060031 473933401 /nfs/dbraw/zinc/93/34/01/473933401.db2.gz MPNYZYCCKYVRHT-KRWDZBQOSA-N 2 1 344.503 2.823 10 30 EFEEMP N#Cc1ccc2ncc(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)n2c1 ZINC000246888045 473993122 /nfs/dbraw/zinc/99/31/22/473993122.db2.gz TXYGOAIDJZJEOT-QFBILLFUSA-N 2 1 335.455 2.655 10 30 EFEEMP N#Cc1ccc2ncc(CN3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)n2c1 ZINC000246888032 473993486 /nfs/dbraw/zinc/99/34/86/473993486.db2.gz TXYGOAIDJZJEOT-LPHOPBHVSA-N 2 1 335.455 2.655 10 30 EFEEMP C=CCCC[C@@H](C)NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000181425058 474035553 /nfs/dbraw/zinc/03/55/53/474035553.db2.gz KNPNODLEEOMYHQ-KAKFPZCNSA-N 2 1 348.535 2.684 10 30 EFEEMP CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183672839 474409618 /nfs/dbraw/zinc/40/96/18/474409618.db2.gz DHSCWJYCHWRHAM-HNNXBMFYSA-N 2 1 339.443 2.594 10 30 EFEEMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)cc1 ZINC000183684415 474412506 /nfs/dbraw/zinc/41/25/06/474412506.db2.gz GJOWPIBHOVRIQQ-GJZGRUSLSA-N 2 1 339.443 2.592 10 30 EFEEMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC(=O)N(C)CCC#N)cc1 ZINC000183687589 474412698 /nfs/dbraw/zinc/41/26/98/474412698.db2.gz KDEKKBCFJQCPQM-OAHLLOKOSA-N 2 1 339.443 2.594 10 30 EFEEMP N#CCCOCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000339008897 474829209 /nfs/dbraw/zinc/82/92/09/474829209.db2.gz BLANYRMTXHOLFY-HXUWFJFHSA-N 2 1 327.472 2.905 10 30 EFEEMP N#CCCOCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000339008897 474829219 /nfs/dbraw/zinc/82/92/19/474829219.db2.gz BLANYRMTXHOLFY-HXUWFJFHSA-N 2 1 327.472 2.905 10 30 EFEEMP N#CCCOCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000339008897 474829224 /nfs/dbraw/zinc/82/92/24/474829224.db2.gz BLANYRMTXHOLFY-HXUWFJFHSA-N 2 1 327.472 2.905 10 30 EFEEMP N#CCCOCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000339008897 474829237 /nfs/dbraw/zinc/82/92/37/474829237.db2.gz BLANYRMTXHOLFY-HXUWFJFHSA-N 2 1 327.472 2.905 10 30 EFEEMP C[N@H+]1CC[C@@]2(CCN(CC#Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000292207080 474904779 /nfs/dbraw/zinc/90/47/79/474904779.db2.gz SXAGANPOHFYBEE-QGZVFWFLSA-N 2 1 338.373 2.964 10 30 EFEEMP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000341096415 474970031 /nfs/dbraw/zinc/97/00/31/474970031.db2.gz JOWRCZDFYBACIU-CALCHBBNSA-N 2 1 336.524 2.589 10 30 EFEEMP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(C#N)cc1F ZINC000358562578 475772945 /nfs/dbraw/zinc/77/29/45/475772945.db2.gz HHEQLEIHSPHYPZ-AWEZNQCLSA-N 2 1 342.418 2.884 10 30 EFEEMP C=CCCC[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000343322556 475949686 /nfs/dbraw/zinc/94/96/86/475949686.db2.gz QXJTWBRJHYXOTA-UHFFFAOYSA-N 2 1 343.515 2.927 10 30 EFEEMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2C(C)C)CC1 ZINC000580182867 478355950 /nfs/dbraw/zinc/35/59/50/478355950.db2.gz JBEWIVYYNAYSSO-SFHVURJKSA-N 2 1 332.488 2.790 10 30 EFEEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000594435896 478384625 /nfs/dbraw/zinc/38/46/25/478384625.db2.gz GESNWXYAOVVPJB-IEBWSBKVSA-N 2 1 342.487 2.521 10 30 EFEEMP N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000594440706 478388658 /nfs/dbraw/zinc/38/86/58/478388658.db2.gz HVBQQLBOWRLLPZ-OALUTQOASA-N 2 1 342.487 2.569 10 30 EFEEMP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000594440709 478389315 /nfs/dbraw/zinc/38/93/15/478389315.db2.gz HVBQQLBOWRLLPZ-RTBURBONSA-N 2 1 342.487 2.569 10 30 EFEEMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594494929 478410252 /nfs/dbraw/zinc/41/02/52/478410252.db2.gz LQGKWBVKMMECIK-UHFFFAOYSA-N 2 1 342.531 2.995 10 30 EFEEMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000600715750 478482601 /nfs/dbraw/zinc/48/26/01/478482601.db2.gz IBVJRKATUAWTEP-LJQANCHMSA-N 2 1 327.472 2.604 10 30 EFEEMP N#CC1(C[C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000600725371 478488660 /nfs/dbraw/zinc/48/86/60/478488660.db2.gz JHFLHYYYGMKWHB-NXEWRWPSSA-N 2 1 339.483 2.826 10 30 EFEEMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000600729934 478492229 /nfs/dbraw/zinc/49/22/29/478492229.db2.gz NVVHISCHCFAJKO-QRQLOZEOSA-N 2 1 327.472 2.684 10 30 EFEEMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000600729934 478492237 /nfs/dbraw/zinc/49/22/37/478492237.db2.gz NVVHISCHCFAJKO-QRQLOZEOSA-N 2 1 327.472 2.684 10 30 EFEEMP CC1(C#N)CCC([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000594976312 478616257 /nfs/dbraw/zinc/61/62/57/478616257.db2.gz ZSNOORSPBFBWFD-IOJLRTSASA-N 2 1 327.472 2.815 10 30 EFEEMP N#CC1(c2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cc2)CC1 ZINC000594993363 478619857 /nfs/dbraw/zinc/61/98/57/478619857.db2.gz PPWDNWGDKKATSN-LJQANCHMSA-N 2 1 325.456 2.585 10 30 EFEEMP Cc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1C#N ZINC000599340391 479261980 /nfs/dbraw/zinc/26/19/80/479261980.db2.gz VDKSEEWHOREXHK-WCRBZPEASA-N 2 1 338.499 2.610 10 30 EFEEMP Cc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1C#N ZINC000599340391 479261984 /nfs/dbraw/zinc/26/19/84/479261984.db2.gz VDKSEEWHOREXHK-WCRBZPEASA-N 2 1 338.499 2.610 10 30 EFEEMP N#Cc1cccc(COc2cccc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)c2)c1 ZINC000611287757 479337882 /nfs/dbraw/zinc/33/78/82/479337882.db2.gz AVJXZHJSZMPYLQ-WOJBJXKFSA-N 2 1 333.435 2.788 10 30 EFEEMP C=CCN(C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000638316584 480662859 /nfs/dbraw/zinc/66/28/59/480662859.db2.gz RIUWBMHDXPWECK-UHFFFAOYSA-N 2 1 327.472 2.547 10 30 EFEEMP C=CCCn1cc(CN2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)nn1 ZINC000653662125 481393811 /nfs/dbraw/zinc/39/38/11/481393811.db2.gz UQWOMVSVOXTSFE-INIZCTEOSA-N 2 1 340.475 2.767 10 30 EFEEMP C=CC[C@@]1(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CCC[NH2+]1 ZINC000662663265 481922193 /nfs/dbraw/zinc/92/21/93/481922193.db2.gz GNWHZAWXNRMKBF-WMZOPIPTSA-N 2 1 335.879 2.757 10 30 EFEEMP C=CC[C@]1(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CCC[NH2+]1 ZINC000662696858 481937837 /nfs/dbraw/zinc/93/78/37/481937837.db2.gz XKSMCAYUNQENLB-ILZDJORESA-N 2 1 327.472 2.636 10 30 EFEEMP C=CC[C@@]1(C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000662748849 481957885 /nfs/dbraw/zinc/95/78/85/481957885.db2.gz DQYGUUBGDQCKTC-RXVVDRJESA-N 2 1 341.499 2.808 10 30 EFEEMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000261961262 535263465 /nfs/dbraw/zinc/26/34/65/535263465.db2.gz KGIOXUSTSVCJST-RDJZCZTQSA-N 2 1 344.503 2.938 10 30 EFEEMP CC[NH+]=C(NCc1sc(C)nc1C)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261943715 535265648 /nfs/dbraw/zinc/26/56/48/535265648.db2.gz FDEUFAUAIMGDCF-IUODEOHRSA-N 2 1 337.537 2.544 10 30 EFEEMP N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000768404112 577271872 /nfs/dbraw/zinc/27/18/72/577271872.db2.gz VLJCMBBWZBKZAU-JWFWCLOMSA-N 2 1 339.483 2.843 10 30 EFEEMP N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000768404112 577271873 /nfs/dbraw/zinc/27/18/73/577271873.db2.gz VLJCMBBWZBKZAU-JWFWCLOMSA-N 2 1 339.483 2.843 10 30 EFEEMP N#CC1(c2ccccc2)CCC([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000768404117 577271875 /nfs/dbraw/zinc/27/18/75/577271875.db2.gz VLJCMBBWZBKZAU-YZDRJCRTSA-N 2 1 339.483 2.843 10 30 EFEEMP N#CC1(c2ccccc2)CCC([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000768404117 577271876 /nfs/dbraw/zinc/27/18/76/577271876.db2.gz VLJCMBBWZBKZAU-YZDRJCRTSA-N 2 1 339.483 2.843 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001691417028 1248757858 /nfs/dbraw/zinc/75/78/58/1248757858.db2.gz SRCKKBNJPUNNMO-MOPGFXCFSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CCCn3cc[nH+]c3C)C(C)(C)[C@@H]21 ZINC001691428157 1248863894 /nfs/dbraw/zinc/86/38/94/1248863894.db2.gz JWVUMQJKVKRZRO-BHIYHBOVSA-N 2 1 344.503 2.763 10 30 EFEEMP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCCn3cc[nH+]c3C)C(C)(C)[C@@H]21 ZINC001691428157 1248863902 /nfs/dbraw/zinc/86/39/02/1248863902.db2.gz JWVUMQJKVKRZRO-BHIYHBOVSA-N 2 1 344.503 2.763 10 30 EFEEMP C=CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CCCn3cc[nH+]c3C)C(C)(C)[C@H]21 ZINC001691428158 1248864277 /nfs/dbraw/zinc/86/42/77/1248864277.db2.gz JWVUMQJKVKRZRO-NEWSRXKRSA-N 2 1 344.503 2.763 10 30 EFEEMP C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CCCn3cc[nH+]c3C)C(C)(C)[C@H]21 ZINC001691428158 1248864286 /nfs/dbraw/zinc/86/42/86/1248864286.db2.gz JWVUMQJKVKRZRO-NEWSRXKRSA-N 2 1 344.503 2.763 10 30 EFEEMP C=CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001267175943 1248876848 /nfs/dbraw/zinc/87/68/48/1248876848.db2.gz WDEVAZSSWFSPIQ-QZTJIDSGSA-N 2 1 344.503 2.691 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001267175943 1248876857 /nfs/dbraw/zinc/87/68/57/1248876857.db2.gz WDEVAZSSWFSPIQ-QZTJIDSGSA-N 2 1 344.503 2.691 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1C(F)(F)F ZINC001691935178 1249062604 /nfs/dbraw/zinc/06/26/04/1249062604.db2.gz BQLCQNOVOICEMP-GJZGRUSLSA-N 2 1 349.441 2.519 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@@H]1C(F)(F)F ZINC001691445916 1249136581 /nfs/dbraw/zinc/13/65/81/1249136581.db2.gz NDTQFAHANTZPEZ-GJZGRUSLSA-N 2 1 349.441 2.521 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001691448148 1249141722 /nfs/dbraw/zinc/14/17/22/1249141722.db2.gz DDFQAOCYGODFHX-RTBURBONSA-N 2 1 347.478 2.628 10 30 EFEEMP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001692000072 1248372968 /nfs/dbraw/zinc/37/29/68/1248372968.db2.gz XSCCOCAAGREJJY-RTBURBONSA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001691106644 1248417033 /nfs/dbraw/zinc/41/70/33/1248417033.db2.gz YFMNTBKSEHMLEE-OALUTQOASA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001691106644 1248417050 /nfs/dbraw/zinc/41/70/50/1248417050.db2.gz YFMNTBKSEHMLEE-OALUTQOASA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001691106644 1248417060 /nfs/dbraw/zinc/41/70/60/1248417060.db2.gz YFMNTBKSEHMLEE-OALUTQOASA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001691106644 1248417077 /nfs/dbraw/zinc/41/70/77/1248417077.db2.gz YFMNTBKSEHMLEE-OALUTQOASA-N 2 1 329.488 2.836 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CC/C=C/CCC)CC1 ZINC001691112616 1248433631 /nfs/dbraw/zinc/43/36/31/1248433631.db2.gz IQTFWKQMMXJRTG-YJJPMGAVSA-N 2 1 345.531 2.659 10 30 EFEEMP C=CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001691276866 1248589831 /nfs/dbraw/zinc/58/98/31/1248589831.db2.gz GSAFELYREOZZRU-MOPGFXCFSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCC[C@@H](C)[NH2+][C@H]1CCCCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001691637280 1251974818 /nfs/dbraw/zinc/97/48/18/1251974818.db2.gz XJAKYAOFZTWQIY-AEFFLSMTSA-N 2 1 332.492 2.907 10 30 EFEEMP C=CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001484390784 1252498526 /nfs/dbraw/zinc/49/85/26/1252498526.db2.gz UCZAYLHRNKJHKU-AKHDSKFASA-N 2 1 333.520 2.654 10 30 EFEEMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001484390784 1252498539 /nfs/dbraw/zinc/49/85/39/1252498539.db2.gz UCZAYLHRNKJHKU-AKHDSKFASA-N 2 1 333.520 2.654 10 30 EFEEMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001484390784 1252498549 /nfs/dbraw/zinc/49/85/49/1252498549.db2.gz UCZAYLHRNKJHKU-AKHDSKFASA-N 2 1 333.520 2.654 10 30 EFEEMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+]1CCCCC1)C2 ZINC001484391818 1252502919 /nfs/dbraw/zinc/50/29/19/1252502919.db2.gz XDIYNCIZUQYAAU-REPLKXPHSA-N 2 1 333.520 2.798 10 30 EFEEMP C#CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001484401868 1252542932 /nfs/dbraw/zinc/54/29/32/1252542932.db2.gz VTBLGXDOJQWWAU-HXUWFJFHSA-N 2 1 341.499 2.503 10 30 EFEEMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)C[C@H]2C1 ZINC001484409471 1252548440 /nfs/dbraw/zinc/54/84/40/1252548440.db2.gz DBYQBBUCAFRXSZ-KDURUIRLSA-N 2 1 347.547 2.855 10 30 EFEEMP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001484472294 1252693912 /nfs/dbraw/zinc/69/39/12/1252693912.db2.gz KPSQVXPXKVAQBH-RBUKOAKNSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001484771444 1252939665 /nfs/dbraw/zinc/93/96/65/1252939665.db2.gz CMLNJSIEWRODIU-RTBURBONSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[NH2+]CC[C@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001273018579 1265827690 /nfs/dbraw/zinc/82/76/90/1265827690.db2.gz MRQFKJUYXKRZEC-YJBOKZPZSA-N 2 1 327.488 2.650 10 30 EFEEMP C=CCC[C@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001272777375 1257942321 /nfs/dbraw/zinc/94/23/21/1257942321.db2.gz GOOPXIHJJNUDBV-SZMVWBNQSA-N 2 1 332.492 2.811 10 30 EFEEMP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001670932521 1258748757 /nfs/dbraw/zinc/74/87/57/1258748757.db2.gz BYOIXTAGYJBKGC-IPQPSQTFSA-N 2 1 333.520 2.939 10 30 EFEEMP C=CC[NH+](CC1CC1)C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001670985487 1259317057 /nfs/dbraw/zinc/31/70/57/1259317057.db2.gz SOJIUGCHLHRUQN-SFHVURJKSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CC[N@H+](CC1CC1)C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001670985487 1259317066 /nfs/dbraw/zinc/31/70/66/1259317066.db2.gz SOJIUGCHLHRUQN-SFHVURJKSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001670985487 1259317074 /nfs/dbraw/zinc/31/70/74/1259317074.db2.gz SOJIUGCHLHRUQN-SFHVURJKSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CC[N@@H+]1CCc2c(CNC(=O)[C@@H](CC)[NH+](CC)CC)cccc2C1 ZINC001272917325 1261330617 /nfs/dbraw/zinc/33/06/17/1261330617.db2.gz SRLYMPKTBQZTDU-HXUWFJFHSA-N 2 1 343.515 2.967 10 30 EFEEMP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001485921976 1262501699 /nfs/dbraw/zinc/50/16/99/1262501699.db2.gz FYKWQYMMKPCKKG-YJBOKZPZSA-N 2 1 327.488 2.602 10 30 EFEEMP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001485921975 1262501795 /nfs/dbraw/zinc/50/17/95/1262501795.db2.gz FYKWQYMMKPCKKG-QAPCUYQASA-N 2 1 327.488 2.602 10 30 EFEEMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H]1C ZINC001486182387 1262756659 /nfs/dbraw/zinc/75/66/59/1262756659.db2.gz VSPIEXSTPKRXEL-FUHWJXTLSA-N 2 1 332.492 2.907 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H]1C ZINC001486182387 1262756664 /nfs/dbraw/zinc/75/66/64/1262756664.db2.gz VSPIEXSTPKRXEL-FUHWJXTLSA-N 2 1 332.492 2.907 10 30 EFEEMP C=C(C)C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1(C)C ZINC001486250580 1262856288 /nfs/dbraw/zinc/85/62/88/1262856288.db2.gz RYHOTHGYKAETJQ-SFHVURJKSA-N 2 1 329.488 2.521 10 30 EFEEMP C=C(C)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)CC1(C)C ZINC001486250580 1262856294 /nfs/dbraw/zinc/85/62/94/1262856294.db2.gz RYHOTHGYKAETJQ-SFHVURJKSA-N 2 1 329.488 2.521 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCC([C@@H](C)NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001486441564 1263152954 /nfs/dbraw/zinc/15/29/54/1263152954.db2.gz NOMXNHGJZZTLNZ-HZPDHXFCSA-N 2 1 332.492 2.763 10 30 EFEEMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001486507008 1263260932 /nfs/dbraw/zinc/26/09/32/1263260932.db2.gz QSLJURVJXNHBNP-UHFFFAOYSA-N 2 1 333.520 2.965 10 30 EFEEMP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001272993998 1264909454 /nfs/dbraw/zinc/90/94/54/1264909454.db2.gz UCCMNPQJRFWRAH-ZWKOTPCHSA-N 2 1 344.503 2.691 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001691670366 1266678142 /nfs/dbraw/zinc/67/81/42/1266678142.db2.gz MHAFVRASQRQDEF-PKOBYXMFSA-N 2 1 335.536 2.994 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)(C)C ZINC001411214823 1272029159 /nfs/dbraw/zinc/02/91/59/1272029159.db2.gz VJOPLMUTVHUHPK-LSDHHAIUSA-N 2 1 329.916 2.732 10 30 EFEEMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001411237606 1272102730 /nfs/dbraw/zinc/10/27/30/1272102730.db2.gz UANFJJNPFPIUTR-HNNXBMFYSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000872172500 1287460552 /nfs/dbraw/zinc/46/05/52/1287460552.db2.gz ADHHJQSORACNBF-CQSZACIVSA-N 2 1 336.823 2.819 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC001137552957 1281478321 /nfs/dbraw/zinc/47/83/21/1281478321.db2.gz IKJBFBAQOXHCPW-QZTJIDSGSA-N 2 1 329.488 2.616 10 30 EFEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000876732286 1290993450 /nfs/dbraw/zinc/99/34/50/1290993450.db2.gz SDSVXGYGJHFKGT-INIZCTEOSA-N 2 1 327.900 2.571 10 30 EFEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000876736970 1290995882 /nfs/dbraw/zinc/99/58/82/1290995882.db2.gz YNKGRGYYXZIECI-SJORKVTESA-N 2 1 335.879 2.627 10 30 EFEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000876738553 1290996683 /nfs/dbraw/zinc/99/66/83/1290996683.db2.gz GSAABRDMORVAKF-DZGCQCFKSA-N 2 1 341.908 2.546 10 30 EFEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000876777610 1291021670 /nfs/dbraw/zinc/02/16/70/1291021670.db2.gz YFLSLTBMAGBJLV-MLGOLLRUSA-N 2 1 332.835 2.828 10 30 EFEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000876885739 1291057760 /nfs/dbraw/zinc/05/77/60/1291057760.db2.gz ZJIODPRUSKGSRU-WBVHZDCISA-N 2 1 335.879 2.579 10 30 EFEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000876891907 1291060225 /nfs/dbraw/zinc/06/02/25/1291060225.db2.gz FPROVSAMISUJJR-RRFJBIMHSA-N 2 1 342.270 2.671 10 30 EFEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000876891907 1291060234 /nfs/dbraw/zinc/06/02/34/1291060234.db2.gz FPROVSAMISUJJR-RRFJBIMHSA-N 2 1 342.270 2.671 10 30 EFEEMP C=CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH+](CC)CC2)CCC1 ZINC001273599885 1292160305 /nfs/dbraw/zinc/16/03/05/1292160305.db2.gz WDSLLADOHLJPSD-KDURUIRLSA-N 2 1 345.531 2.892 10 30 EFEEMP C=CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH+](CC)CC2)CCC1 ZINC001273599885 1292160308 /nfs/dbraw/zinc/16/03/08/1292160308.db2.gz WDSLLADOHLJPSD-KDURUIRLSA-N 2 1 345.531 2.892 10 30 EFEEMP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001276448062 1313100840 /nfs/dbraw/zinc/10/08/40/1313100840.db2.gz UTBUVZYIEVBLJL-APWZRJJASA-N 2 1 329.488 2.692 10 30 EFEEMP C#CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001273757212 1294832268 /nfs/dbraw/zinc/83/22/68/1294832268.db2.gz VKECYBLIZKJJJB-GOSISDBHSA-N 2 1 345.531 2.635 10 30 EFEEMP C=C(C)C[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001274855432 1296192042 /nfs/dbraw/zinc/19/20/42/1296192042.db2.gz DUMFKHAOZDWCPL-IBGZPJMESA-N 2 1 329.488 2.620 10 30 EFEEMP C=C(C)C[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001274855432 1296192048 /nfs/dbraw/zinc/19/20/48/1296192048.db2.gz DUMFKHAOZDWCPL-IBGZPJMESA-N 2 1 329.488 2.620 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001488956144 1297904921 /nfs/dbraw/zinc/90/49/21/1297904921.db2.gz ZHMBPTWWXUXUBU-LSDHHAIUSA-N 2 1 329.916 2.591 10 30 EFEEMP C=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001489065415 1297997948 /nfs/dbraw/zinc/99/79/48/1297997948.db2.gz UGIISJFPDRSHNE-CRAIPNDOSA-N 2 1 348.491 2.533 10 30 EFEEMP C=C(Cl)CN1CCC[C@@H]2[C@@H](NC(=O)CC[N@H+](C)CC)C(C)(C)[C@@H]21 ZINC001489087358 1298008611 /nfs/dbraw/zinc/00/86/11/1298008611.db2.gz QKBZNFDUKXCMTP-DJIMGWMZSA-N 2 1 341.927 2.686 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@@H]2[C@@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)[C@@H]21 ZINC001489087358 1298008617 /nfs/dbraw/zinc/00/86/17/1298008617.db2.gz QKBZNFDUKXCMTP-DJIMGWMZSA-N 2 1 341.927 2.686 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@@H]2[C@@H](NC(=O)CC[N@H+](C)CC)C(C)(C)[C@@H]21 ZINC001489087358 1298008623 /nfs/dbraw/zinc/00/86/23/1298008623.db2.gz QKBZNFDUKXCMTP-DJIMGWMZSA-N 2 1 341.927 2.686 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)CC)C(C)(C)[C@@H]21 ZINC001489087358 1298008631 /nfs/dbraw/zinc/00/86/31/1298008631.db2.gz QKBZNFDUKXCMTP-DJIMGWMZSA-N 2 1 341.927 2.686 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)CC)C(C)(C)[C@@H]21 ZINC001489087358 1298008639 /nfs/dbraw/zinc/00/86/39/1298008639.db2.gz QKBZNFDUKXCMTP-DJIMGWMZSA-N 2 1 341.927 2.686 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)C[C@@H]2C1 ZINC001489199597 1298114354 /nfs/dbraw/zinc/11/43/54/1298114354.db2.gz MWDIPKDKQCOHGA-MOPGFXCFSA-N 2 1 347.547 2.855 10 30 EFEEMP C=C(Cl)C[N@H+](CCCNC(=O)C12CCC[NH+](CCC1)C2)C(C)C ZINC001691736328 1298374893 /nfs/dbraw/zinc/37/48/93/1298374893.db2.gz PXCAVCWLZKDQMV-UHFFFAOYSA-N 2 1 341.927 2.832 10 30 EFEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001490569429 1298993012 /nfs/dbraw/zinc/99/30/12/1298993012.db2.gz BKZBFOGQEQHGQH-RBUKOAKNSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001490569429 1298993024 /nfs/dbraw/zinc/99/30/24/1298993024.db2.gz BKZBFOGQEQHGQH-RBUKOAKNSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001490569429 1298993041 /nfs/dbraw/zinc/99/30/41/1298993041.db2.gz BKZBFOGQEQHGQH-RBUKOAKNSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001490569429 1298993057 /nfs/dbraw/zinc/99/30/57/1298993057.db2.gz BKZBFOGQEQHGQH-RBUKOAKNSA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001490622000 1299050799 /nfs/dbraw/zinc/05/07/99/1299050799.db2.gz KHWNZWQJSHJFIP-INIZCTEOSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001490622000 1299050810 /nfs/dbraw/zinc/05/08/10/1299050810.db2.gz KHWNZWQJSHJFIP-INIZCTEOSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001490622001 1299051128 /nfs/dbraw/zinc/05/11/28/1299051128.db2.gz KHWNZWQJSHJFIP-MRXNPFEDSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001490622001 1299051139 /nfs/dbraw/zinc/05/11/39/1299051139.db2.gz KHWNZWQJSHJFIP-MRXNPFEDSA-N 2 1 341.927 2.784 10 30 EFEEMP C=CCCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001490776284 1299240564 /nfs/dbraw/zinc/24/05/64/1299240564.db2.gz HJDVASOCXWYHOF-RBUKOAKNSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCCCCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001490776284 1299240572 /nfs/dbraw/zinc/24/05/72/1299240572.db2.gz HJDVASOCXWYHOF-RBUKOAKNSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCCCCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001490776284 1299240578 /nfs/dbraw/zinc/24/05/78/1299240578.db2.gz HJDVASOCXWYHOF-RBUKOAKNSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001490776863 1299242394 /nfs/dbraw/zinc/24/23/94/1299242394.db2.gz NQMPOBMIYBWIFV-IBGZPJMESA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001490794192 1299264190 /nfs/dbraw/zinc/26/41/90/1299264190.db2.gz WIJGDRRTEPJTIQ-INDMIFKZSA-N 2 1 331.504 2.645 10 30 EFEEMP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001490794192 1299264199 /nfs/dbraw/zinc/26/41/99/1299264199.db2.gz WIJGDRRTEPJTIQ-INDMIFKZSA-N 2 1 331.504 2.645 10 30 EFEEMP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001490794192 1299264207 /nfs/dbraw/zinc/26/42/07/1299264207.db2.gz WIJGDRRTEPJTIQ-INDMIFKZSA-N 2 1 331.504 2.645 10 30 EFEEMP C#CCN(C(=O)CC[N@H+](C)CC)C1CC[NH+](Cc2ccsc2)CC1 ZINC001278194188 1313769738 /nfs/dbraw/zinc/76/97/38/1313769738.db2.gz IQECJLWCAFSGGZ-UHFFFAOYSA-N 2 1 347.528 2.516 10 30 EFEEMP CC#CC[NH2+]C[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C1CCCC1 ZINC001278241316 1313831894 /nfs/dbraw/zinc/83/18/94/1313831894.db2.gz NNNURFQVDBKAIH-AEFFLSMTSA-N 2 1 344.503 2.685 10 30 EFEEMP CC[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)[C@@H](C)C1 ZINC000866445320 1303644864 /nfs/dbraw/zinc/64/48/64/1303644864.db2.gz JCDODRCAWUPRPN-LPHOPBHVSA-N 2 1 326.488 2.847 10 30 EFEEMP Cc1ccc(NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)c(C[NH+](C)C)c1 ZINC000867958390 1304045513 /nfs/dbraw/zinc/04/55/13/1304045513.db2.gz QDKQAEGGQAOSKE-HXUWFJFHSA-N 2 1 348.450 2.754 10 30 EFEEMP CC1(C)[C@H]([NH3+])c2ccccc2N1C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867988162 1304061323 /nfs/dbraw/zinc/06/13/23/1304061323.db2.gz VBKSNGPKDLMEFJ-RTBURBONSA-N 2 1 346.434 2.570 10 30 EFEEMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000868284117 1304225080 /nfs/dbraw/zinc/22/50/80/1304225080.db2.gz PQFIFICZCXPWDT-IBGZPJMESA-N 2 1 348.535 2.733 10 30 EFEEMP C=CCC[N@@H+]1C[C@H](NC(=O)CN(C)CCc2ccccc2)C(C)(C)C1 ZINC001276608181 1314070613 /nfs/dbraw/zinc/07/06/13/1314070613.db2.gz PFZRVPIDGAHXQP-IBGZPJMESA-N 2 1 343.515 2.564 10 30 EFEEMP C=CCC[NH+]1C[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C(C)(C)C1 ZINC001276608181 1314070616 /nfs/dbraw/zinc/07/06/16/1314070616.db2.gz PFZRVPIDGAHXQP-IBGZPJMESA-N 2 1 343.515 2.564 10 30 EFEEMP C=CCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C(C)(C)C1 ZINC001276608181 1314070619 /nfs/dbraw/zinc/07/06/19/1314070619.db2.gz PFZRVPIDGAHXQP-IBGZPJMESA-N 2 1 343.515 2.564 10 30 EFEEMP C=CCC[N@H+]1C[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C(C)(C)C1 ZINC001276608181 1314070623 /nfs/dbraw/zinc/07/06/23/1314070623.db2.gz PFZRVPIDGAHXQP-IBGZPJMESA-N 2 1 343.515 2.564 10 30 EFEEMP C=CCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C(C)(C)C1 ZINC001276608181 1314070626 /nfs/dbraw/zinc/07/06/26/1314070626.db2.gz PFZRVPIDGAHXQP-IBGZPJMESA-N 2 1 343.515 2.564 10 30 EFEEMP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001276623533 1314113625 /nfs/dbraw/zinc/11/36/25/1314113625.db2.gz FERVPVGVYMVBNA-ROUUACIJSA-N 2 1 329.488 2.692 10 30 EFEEMP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001276623533 1314113627 /nfs/dbraw/zinc/11/36/27/1314113627.db2.gz FERVPVGVYMVBNA-ROUUACIJSA-N 2 1 329.488 2.692 10 30 EFEEMP C=CCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001278337119 1314156249 /nfs/dbraw/zinc/15/62/49/1314156249.db2.gz XNLCQWAOWVBAOV-PZJWPPBQSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001278337119 1314156252 /nfs/dbraw/zinc/15/62/52/1314156252.db2.gz XNLCQWAOWVBAOV-PZJWPPBQSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001278337119 1314156255 /nfs/dbraw/zinc/15/62/55/1314156255.db2.gz XNLCQWAOWVBAOV-PZJWPPBQSA-N 2 1 347.547 2.999 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000900247181 1307818282 /nfs/dbraw/zinc/81/82/82/1307818282.db2.gz RHDQQMCGMIUSNY-CALCHBBNSA-N 2 1 345.487 2.742 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000900247181 1307818288 /nfs/dbraw/zinc/81/82/88/1307818288.db2.gz RHDQQMCGMIUSNY-CALCHBBNSA-N 2 1 345.487 2.742 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000900808658 1308711737 /nfs/dbraw/zinc/71/17/37/1308711737.db2.gz QFCWKIXSDKCNLL-GOSISDBHSA-N 2 1 329.488 2.617 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000900808659 1308711785 /nfs/dbraw/zinc/71/17/85/1308711785.db2.gz QFCWKIXSDKCNLL-SFHVURJKSA-N 2 1 329.488 2.617 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000900972898 1309081718 /nfs/dbraw/zinc/08/17/18/1309081718.db2.gz CUKUWYAFPCKAMW-IEBWSBKVSA-N 2 1 329.488 2.664 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000901359913 1310225045 /nfs/dbraw/zinc/22/50/45/1310225045.db2.gz HBAARXPOLQNVQJ-PKOBYXMFSA-N 2 1 329.488 2.521 10 30 EFEEMP CC#CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@H+](C)CCCCCC)C[C@@H]2C1 ZINC001276839000 1311185202 /nfs/dbraw/zinc/18/52/02/1311185202.db2.gz FHQROGDVKCBMPI-XUVXKRRUSA-N 2 1 347.547 2.739 10 30 EFEEMP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)CCCCCC)C[C@@H]2C1 ZINC001276839000 1311185203 /nfs/dbraw/zinc/18/52/03/1311185203.db2.gz FHQROGDVKCBMPI-XUVXKRRUSA-N 2 1 347.547 2.739 10 30 EFEEMP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)CCCCCC)C[C@@H]2C1 ZINC001276839000 1311185204 /nfs/dbraw/zinc/18/52/04/1311185204.db2.gz FHQROGDVKCBMPI-XUVXKRRUSA-N 2 1 347.547 2.739 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001276862728 1311216945 /nfs/dbraw/zinc/21/69/45/1311216945.db2.gz PHCMZGDEYIMCOZ-KRWDZBQOSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCCC2(CN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001276862728 1311216949 /nfs/dbraw/zinc/21/69/49/1311216949.db2.gz PHCMZGDEYIMCOZ-KRWDZBQOSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCCC2(CN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001276862728 1311216952 /nfs/dbraw/zinc/21/69/52/1311216952.db2.gz PHCMZGDEYIMCOZ-KRWDZBQOSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCCCCC[NH+]1CCCC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001276879347 1311240973 /nfs/dbraw/zinc/24/09/73/1311240973.db2.gz ZQVBESGXBLLRQM-IBGZPJMESA-N 2 1 347.547 2.999 10 30 EFEEMP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001159052041 1311441568 /nfs/dbraw/zinc/44/15/68/1311441568.db2.gz RTPCYZKNQUSLNU-AABGKKOBSA-N 2 1 341.499 2.521 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001277068226 1311570589 /nfs/dbraw/zinc/57/05/89/1311570589.db2.gz AZFGUJFYEALHGD-BHIYHBOVSA-N 2 1 329.488 2.740 10 30 EFEEMP C=CCCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001280851119 1311616423 /nfs/dbraw/zinc/61/64/23/1311616423.db2.gz YPUOHIKAXFTMMU-QGZVFWFLSA-N 2 1 332.492 2.500 10 30 EFEEMP C=CCCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001280851119 1311616425 /nfs/dbraw/zinc/61/64/25/1311616425.db2.gz YPUOHIKAXFTMMU-QGZVFWFLSA-N 2 1 332.492 2.500 10 30 EFEEMP C=C(C)C[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001277283661 1311923424 /nfs/dbraw/zinc/92/34/24/1311923424.db2.gz GTRRPUUFAGYKOU-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001277283661 1311923426 /nfs/dbraw/zinc/92/34/26/1311923426.db2.gz GTRRPUUFAGYKOU-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001277283661 1311923429 /nfs/dbraw/zinc/92/34/29/1311923429.db2.gz GTRRPUUFAGYKOU-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+]1CCCC1 ZINC001277368930 1312067070 /nfs/dbraw/zinc/06/70/70/1312067070.db2.gz OZEMYRKHJGDCSC-MOPGFXCFSA-N 2 1 333.520 2.894 10 30 EFEEMP C=C(C)CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001277388744 1312099141 /nfs/dbraw/zinc/09/91/41/1312099141.db2.gz RJONONGYVMIGPE-LJQANCHMSA-N 2 1 335.536 2.996 10 30 EFEEMP Cc1cc(N2CCC([NH2+][C@@H](C)c3cc(C#N)ccn3)CC2)nc(C)[nH+]1 ZINC000902832799 1312142013 /nfs/dbraw/zinc/14/20/13/1312142013.db2.gz QESHEKLKCNQRRR-AWEZNQCLSA-N 2 1 336.443 2.680 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001277473879 1312400380 /nfs/dbraw/zinc/40/03/80/1312400380.db2.gz LNMGAZIUPAKTHW-AZUAARDMSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCCCCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001277522423 1312505187 /nfs/dbraw/zinc/50/51/87/1312505187.db2.gz CJEMCYGZTQPMEU-QUCCMNQESA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001277522423 1312505189 /nfs/dbraw/zinc/50/51/89/1312505189.db2.gz CJEMCYGZTQPMEU-QUCCMNQESA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001277522423 1312505191 /nfs/dbraw/zinc/50/51/91/1312505191.db2.gz CJEMCYGZTQPMEU-QUCCMNQESA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001277515996 1312505694 /nfs/dbraw/zinc/50/56/94/1312505694.db2.gz DWLMGWCKGJTFST-YLJYHZDGSA-N 2 1 333.520 2.750 10 30 EFEEMP C#CC[NH2+]CCC[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1ccccc1 ZINC001277549367 1312547568 /nfs/dbraw/zinc/54/75/68/1312547568.db2.gz YXVUZSOCDBKGDP-SLFFLAALSA-N 2 1 341.499 2.577 10 30 EFEEMP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001318206763 1328527975 /nfs/dbraw/zinc/52/79/75/1328527975.db2.gz WMSRXHONAYKKPX-OALUTQOASA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001318206763 1328527978 /nfs/dbraw/zinc/52/79/78/1328527978.db2.gz WMSRXHONAYKKPX-OALUTQOASA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001318206763 1328527982 /nfs/dbraw/zinc/52/79/82/1328527982.db2.gz WMSRXHONAYKKPX-OALUTQOASA-N 2 1 333.520 2.892 10 30 EFEEMP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001278556223 1315183945 /nfs/dbraw/zinc/18/39/45/1315183945.db2.gz LITYREMPIAQYCE-IBGZPJMESA-N 2 1 332.492 2.801 10 30 EFEEMP C#CCC[NH+]1CCC(C)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001278636943 1315376188 /nfs/dbraw/zinc/37/61/88/1315376188.db2.gz ORRBPYKDNPGUKW-LJQANCHMSA-N 2 1 341.499 2.531 10 30 EFEEMP C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001278682252 1315505195 /nfs/dbraw/zinc/50/51/95/1315505195.db2.gz VJAYLKGAOGRSBG-IBGZPJMESA-N 2 1 332.492 2.801 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001278682252 1315505198 /nfs/dbraw/zinc/50/51/98/1315505198.db2.gz VJAYLKGAOGRSBG-IBGZPJMESA-N 2 1 332.492 2.801 10 30 EFEEMP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001278703774 1315581745 /nfs/dbraw/zinc/58/17/45/1315581745.db2.gz MKHJUERRNBAVML-LSDHHAIUSA-N 2 1 349.441 2.519 10 30 EFEEMP C=CCC[C@H](C)[N@H+](C)CCN(C(=O)[C@H]1CCn2ccnc2C1)C(C)C ZINC001278911473 1315905073 /nfs/dbraw/zinc/90/50/73/1315905073.db2.gz AACBQRQAZVKOGI-ROUUACIJSA-N 2 1 346.519 2.969 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N(CC[N@@H+](C)CC2CCCC2)C(C)C)CC1 ZINC001278929348 1315929488 /nfs/dbraw/zinc/92/94/88/1315929488.db2.gz CTNUATKLIKJHBP-UHFFFAOYSA-N 2 1 347.547 2.691 10 30 EFEEMP C=CCCCCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001279105064 1316267624 /nfs/dbraw/zinc/26/76/24/1316267624.db2.gz SLLGLIAXIHDYOF-MJGOQNOKSA-N 2 1 335.536 2.901 10 30 EFEEMP CCC[N@@H+](C)CC(=O)NC[C@H](CC)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001318591945 1328646174 /nfs/dbraw/zinc/64/61/74/1328646174.db2.gz AMQMYIYOAJGBMH-SFHVURJKSA-N 2 1 349.906 2.518 10 30 EFEEMP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 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NDARWLPRWPKVOQ-UHFFFAOYSA-N 2 1 330.863 2.879 10 30 EFEEMP C#CC[N@@H+](C)CCCNCc1cn(-c2ccccc2Cl)nc1C ZINC001308422623 1324819061 /nfs/dbraw/zinc/81/90/61/1324819061.db2.gz NDARWLPRWPKVOQ-UHFFFAOYSA-N 2 1 330.863 2.879 10 30 EFEEMP C=C(Cl)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001316709252 1325020064 /nfs/dbraw/zinc/02/00/64/1325020064.db2.gz FWSMWIGXUNTVFC-OIISXLGYSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001316709245 1325020096 /nfs/dbraw/zinc/02/00/96/1325020096.db2.gz FWSMWIGXUNTVFC-DJIMGWMZSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@H+](C)C3CCC3)C(C)(C)[C@@H]21 ZINC001316718283 1325044298 /nfs/dbraw/zinc/04/42/98/1325044298.db2.gz BRFARPHPNVQZRZ-BHIYHBOVSA-N 2 1 333.520 2.652 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)C3CCC3)C(C)(C)[C@@H]21 ZINC001316718283 1325044303 /nfs/dbraw/zinc/04/43/03/1325044303.db2.gz BRFARPHPNVQZRZ-BHIYHBOVSA-N 2 1 333.520 2.652 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)C3CCC3)C(C)(C)[C@@H]21 ZINC001316718283 1325044308 /nfs/dbraw/zinc/04/43/08/1325044308.db2.gz BRFARPHPNVQZRZ-BHIYHBOVSA-N 2 1 333.520 2.652 10 30 EFEEMP C=CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001316722286 1325095524 /nfs/dbraw/zinc/09/55/24/1325095524.db2.gz SONHHMKPAWYKBC-RTBURBONSA-N 2 1 347.478 2.626 10 30 EFEEMP C=CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001316722286 1325095532 /nfs/dbraw/zinc/09/55/32/1325095532.db2.gz SONHHMKPAWYKBC-RTBURBONSA-N 2 1 347.478 2.626 10 30 EFEEMP C=CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001316722286 1325095538 /nfs/dbraw/zinc/09/55/38/1325095538.db2.gz SONHHMKPAWYKBC-RTBURBONSA-N 2 1 347.478 2.626 10 30 EFEEMP C=CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001316722286 1325095541 /nfs/dbraw/zinc/09/55/41/1325095541.db2.gz SONHHMKPAWYKBC-RTBURBONSA-N 2 1 347.478 2.626 10 30 EFEEMP C=CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001316876948 1325249365 /nfs/dbraw/zinc/24/93/65/1325249365.db2.gz BMCNMCFREUCKME-PKOBYXMFSA-N 2 1 329.488 2.664 10 30 EFEEMP C=CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001316876948 1325249373 /nfs/dbraw/zinc/24/93/73/1325249373.db2.gz BMCNMCFREUCKME-PKOBYXMFSA-N 2 1 329.488 2.664 10 30 EFEEMP C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001317041836 1325509464 /nfs/dbraw/zinc/50/94/64/1325509464.db2.gz JFUKZMBLZIPEQT-RTBURBONSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001317045439 1325514086 /nfs/dbraw/zinc/51/40/86/1325514086.db2.gz VTAVOYOGZHSJGY-ROUUACIJSA-N 2 1 344.503 2.500 10 30 EFEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001317045439 1325514091 /nfs/dbraw/zinc/51/40/91/1325514091.db2.gz VTAVOYOGZHSJGY-ROUUACIJSA-N 2 1 344.503 2.500 10 30 EFEEMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001317048114 1325519339 /nfs/dbraw/zinc/51/93/39/1325519339.db2.gz ODPSEAJWCFSKIZ-HDICACEKSA-N 2 1 333.520 2.750 10 30 EFEEMP C#CC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001317106656 1325579007 /nfs/dbraw/zinc/57/90/07/1325579007.db2.gz YSDXQROHSYYCGK-ICSRJNTNSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001317106656 1325579015 /nfs/dbraw/zinc/57/90/15/1325579015.db2.gz YSDXQROHSYYCGK-ICSRJNTNSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001317106656 1325579023 /nfs/dbraw/zinc/57/90/23/1325579023.db2.gz YSDXQROHSYYCGK-ICSRJNTNSA-N 2 1 345.531 2.587 10 30 EFEEMP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001317117446 1325587035 /nfs/dbraw/zinc/58/70/35/1325587035.db2.gz VQOUAFYIMWQSAL-SCTDSRPQSA-N 2 1 333.520 2.987 10 30 EFEEMP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001317117448 1325587475 /nfs/dbraw/zinc/58/74/75/1325587475.db2.gz VQOUAFYIMWQSAL-ZIFCJYIRSA-N 2 1 333.520 2.987 10 30 EFEEMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001376946774 1343976519 /nfs/dbraw/zinc/97/65/19/1343976519.db2.gz OWCCDWVSQVFCOE-HZPDHXFCSA-N 2 1 327.900 2.536 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001317203405 1327733844 /nfs/dbraw/zinc/73/38/44/1327733844.db2.gz LCCWETKYSMOISM-QZTJIDSGSA-N 2 1 333.520 2.798 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001317205596 1327740364 /nfs/dbraw/zinc/74/03/64/1327740364.db2.gz QBDKAKBOWYHFTL-SJORKVTESA-N 2 1 332.492 2.799 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001317205596 1327740372 /nfs/dbraw/zinc/74/03/72/1327740372.db2.gz QBDKAKBOWYHFTL-SJORKVTESA-N 2 1 332.492 2.799 10 30 EFEEMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001317321038 1327850596 /nfs/dbraw/zinc/85/05/96/1327850596.db2.gz CDVSKFWNTVKQNM-PKOBYXMFSA-N 2 1 333.520 2.798 10 30 EFEEMP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001317680394 1328278687 /nfs/dbraw/zinc/27/86/87/1328278687.db2.gz IHAWGVSJFPYVBW-SFHVURJKSA-N 2 1 343.515 2.911 10 30 EFEEMP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001317680394 1328278696 /nfs/dbraw/zinc/27/86/96/1328278696.db2.gz IHAWGVSJFPYVBW-SFHVURJKSA-N 2 1 343.515 2.911 10 30 EFEEMP C#CC[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccc(C(C)C)cc1 ZINC001317712208 1328320864 /nfs/dbraw/zinc/32/08/64/1328320864.db2.gz WVOBDHZHAVUEIL-XLIONFOSSA-N 2 1 341.499 2.532 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(CCC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001317762740 1328361303 /nfs/dbraw/zinc/36/13/03/1328361303.db2.gz CEIANRTVSVSEDU-IEBWSBKVSA-N 2 1 335.536 2.996 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@H+](C)CCCCCC)C2)CC1 ZINC001317864861 1328426237 /nfs/dbraw/zinc/42/62/37/1328426237.db2.gz YDELZTCBUKUUCC-LJQANCHMSA-N 2 1 347.547 2.692 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](C)CC1CCN(C(=O)CCc2nccn2C)CC1 ZINC001317876144 1328432656 /nfs/dbraw/zinc/43/26/56/1328432656.db2.gz CIEPRIUCACUBCE-KRWDZBQOSA-N 2 1 346.519 2.878 10 30 EFEEMP C=C(C)C[N@H+](C)CC1CCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001317884004 1328437013 /nfs/dbraw/zinc/43/70/13/1328437013.db2.gz IXTHHXFQQQXWFZ-UHFFFAOYSA-N 2 1 343.515 2.865 10 30 EFEEMP C=C(C)C[N@@H+](C)CC1CCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001317884004 1328437018 /nfs/dbraw/zinc/43/70/18/1328437018.db2.gz IXTHHXFQQQXWFZ-UHFFFAOYSA-N 2 1 343.515 2.865 10 30 EFEEMP C=C(C)C[NH+](C)CC1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001317884004 1328437023 /nfs/dbraw/zinc/43/70/23/1328437023.db2.gz IXTHHXFQQQXWFZ-UHFFFAOYSA-N 2 1 343.515 2.865 10 30 EFEEMP C=C(C)C[NH+](C)CC1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001317884004 1328437028 /nfs/dbraw/zinc/43/70/28/1328437028.db2.gz IXTHHXFQQQXWFZ-UHFFFAOYSA-N 2 1 343.515 2.865 10 30 EFEEMP CCCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001317935850 1328446430 /nfs/dbraw/zinc/44/64/30/1328446430.db2.gz KELCRPLKRDYJJL-ZWKOTPCHSA-N 2 1 346.519 2.997 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001317984945 1328470045 /nfs/dbraw/zinc/47/00/45/1328470045.db2.gz IUPLTGXHLIAQRK-SJORKVTESA-N 2 1 332.492 2.942 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001317984945 1328470049 /nfs/dbraw/zinc/47/00/49/1328470049.db2.gz IUPLTGXHLIAQRK-SJORKVTESA-N 2 1 332.492 2.942 10 30 EFEEMP C=CCCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001317994431 1328472543 /nfs/dbraw/zinc/47/25/43/1328472543.db2.gz RUPYVVGSKBIMBR-IBGZPJMESA-N 2 1 329.488 2.665 10 30 EFEEMP C=CCCC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001317994431 1328472548 /nfs/dbraw/zinc/47/25/48/1328472548.db2.gz RUPYVVGSKBIMBR-IBGZPJMESA-N 2 1 329.488 2.665 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001317994431 1328472554 /nfs/dbraw/zinc/47/25/54/1328472554.db2.gz RUPYVVGSKBIMBR-IBGZPJMESA-N 2 1 329.488 2.665 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001317994431 1328472560 /nfs/dbraw/zinc/47/25/60/1328472560.db2.gz RUPYVVGSKBIMBR-IBGZPJMESA-N 2 1 329.488 2.665 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001323643016 1329558191 /nfs/dbraw/zinc/55/81/91/1329558191.db2.gz OSROERJPIYFXJS-RTBURBONSA-N 2 1 333.520 2.751 10 30 EFEEMP CC#CC[N@@H+](CCNC(=O)C[NH+](C)C1CCC1)C1CCCCCC1 ZINC001323707920 1329563621 /nfs/dbraw/zinc/56/36/21/1329563621.db2.gz AOLDXXJYDIOKPW-UHFFFAOYSA-N 2 1 333.520 2.635 10 30 EFEEMP CC#CC[NH+](CCNC(=O)C[N@H+](C)C1CCC1)C1CCCCCC1 ZINC001323707920 1329563625 /nfs/dbraw/zinc/56/36/25/1329563625.db2.gz AOLDXXJYDIOKPW-UHFFFAOYSA-N 2 1 333.520 2.635 10 30 EFEEMP CC#CC[NH+](CCNC(=O)C[N@@H+](C)C1CCC1)C1CCCCCC1 ZINC001323707920 1329563626 /nfs/dbraw/zinc/56/36/26/1329563626.db2.gz AOLDXXJYDIOKPW-UHFFFAOYSA-N 2 1 333.520 2.635 10 30 EFEEMP C#CCN(C(=O)C[C@H](C)n1cc[nH+]c1CC)C1CC[NH+](C(C)C)CC1 ZINC001324398048 1329623808 /nfs/dbraw/zinc/62/38/08/1329623808.db2.gz XUJBFSABAOUOIU-KRWDZBQOSA-N 2 1 344.503 2.731 10 30 EFEEMP C#CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](CCCC(C)C)CC1 ZINC001324414591 1329624814 /nfs/dbraw/zinc/62/48/14/1329624814.db2.gz YXIWMONTMAGOGC-FQEVSTJZSA-N 2 1 347.547 2.833 10 30 EFEEMP C#CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C1CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001324420219 1329625596 /nfs/dbraw/zinc/62/55/96/1329625596.db2.gz OAHNQBGCVWGRTN-MOPGFXCFSA-N 2 1 345.531 2.609 10 30 EFEEMP C#CCN(C(=O)C[N@H+]1CC[C@H](C)C1)C1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001324420223 1329625691 /nfs/dbraw/zinc/62/56/91/1329625691.db2.gz OAHNQBGCVWGRTN-RBUKOAKNSA-N 2 1 345.531 2.609 10 30 EFEEMP C#CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001324420225 1329625763 /nfs/dbraw/zinc/62/57/63/1329625763.db2.gz OAHNQBGCVWGRTN-RTBURBONSA-N 2 1 345.531 2.609 10 30 EFEEMP C#CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CC/C=C/CC)CC1 ZINC001324431918 1329626712 /nfs/dbraw/zinc/62/67/12/1329626712.db2.gz KENSGCZVFKGQQC-OVKVCFKUSA-N 2 1 345.531 2.611 10 30 EFEEMP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001324557607 1329639906 /nfs/dbraw/zinc/63/99/06/1329639906.db2.gz STBALPZSORHLCL-OAQYLSRUSA-N 2 1 347.547 2.692 10 30 EFEEMP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001324557607 1329639908 /nfs/dbraw/zinc/63/99/08/1329639908.db2.gz STBALPZSORHLCL-OAQYLSRUSA-N 2 1 347.547 2.692 10 30 EFEEMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001324557607 1329639909 /nfs/dbraw/zinc/63/99/09/1329639909.db2.gz STBALPZSORHLCL-OAQYLSRUSA-N 2 1 347.547 2.692 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001324655883 1329648516 /nfs/dbraw/zinc/64/85/16/1329648516.db2.gz JJDLUJUZQDYQNE-LPHOPBHVSA-N 2 1 332.492 2.942 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001324655883 1329648517 /nfs/dbraw/zinc/64/85/17/1329648517.db2.gz JJDLUJUZQDYQNE-LPHOPBHVSA-N 2 1 332.492 2.942 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001324655887 1329648783 /nfs/dbraw/zinc/64/87/83/1329648783.db2.gz JJDLUJUZQDYQNE-VQIMIIECSA-N 2 1 332.492 2.942 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001324655887 1329648784 /nfs/dbraw/zinc/64/87/84/1329648784.db2.gz JJDLUJUZQDYQNE-VQIMIIECSA-N 2 1 332.492 2.942 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CC/C=C\CCC)C2)CC1 ZINC001324673824 1329650649 /nfs/dbraw/zinc/65/06/49/1329650649.db2.gz OJCQKGSWKZTBIF-NJRZHNRPSA-N 2 1 345.531 2.659 10 30 EFEEMP C#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1CCC)c1ccccc1CC ZINC001325361590 1329682493 /nfs/dbraw/zinc/68/24/93/1329682493.db2.gz IQMNJIMPCVVZOE-WOJBJXKFSA-N 2 1 341.499 2.504 10 30 EFEEMP C#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1CCC)c1ccccc1CC ZINC001325361590 1329682494 /nfs/dbraw/zinc/68/24/94/1329682494.db2.gz IQMNJIMPCVVZOE-WOJBJXKFSA-N 2 1 341.499 2.504 10 30 EFEEMP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1CCC)c1ccccc1CC ZINC001325361589 1329682644 /nfs/dbraw/zinc/68/26/44/1329682644.db2.gz IQMNJIMPCVVZOE-VQTJNVASSA-N 2 1 341.499 2.504 10 30 EFEEMP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CCC)c1ccccc1CC ZINC001325361589 1329682646 /nfs/dbraw/zinc/68/26/46/1329682646.db2.gz IQMNJIMPCVVZOE-VQTJNVASSA-N 2 1 341.499 2.504 10 30 EFEEMP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)c1ccccc1CC ZINC001325367794 1329683555 /nfs/dbraw/zinc/68/35/55/1329683555.db2.gz ZKUVNEBXLCTVDD-UXHICEINSA-N 2 1 341.499 2.504 10 30 EFEEMP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)c1ccccc1CC ZINC001325367794 1329683557 /nfs/dbraw/zinc/68/35/57/1329683557.db2.gz ZKUVNEBXLCTVDD-UXHICEINSA-N 2 1 341.499 2.504 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]2C1 ZINC001325761301 1329711283 /nfs/dbraw/zinc/71/12/83/1329711283.db2.gz ISTPRSAZWWDOIG-INDMIFKZSA-N 2 1 335.536 2.852 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@H]2C1 ZINC001325778396 1329712545 /nfs/dbraw/zinc/71/25/45/1329712545.db2.gz HFIZDOTYJAXSEI-AQNXPRMDSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001325902158 1329723315 /nfs/dbraw/zinc/72/33/15/1329723315.db2.gz ZZTIHMCGSZTUIM-ZSYWTGECSA-N 2 1 333.520 2.748 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001325902158 1329723316 /nfs/dbraw/zinc/72/33/16/1329723316.db2.gz ZZTIHMCGSZTUIM-ZSYWTGECSA-N 2 1 333.520 2.748 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001325902158 1329723318 /nfs/dbraw/zinc/72/33/18/1329723318.db2.gz ZZTIHMCGSZTUIM-ZSYWTGECSA-N 2 1 333.520 2.748 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001325916387 1329723901 /nfs/dbraw/zinc/72/39/01/1329723901.db2.gz IMAPASZTIYQTDJ-RBUKOAKNSA-N 2 1 333.520 2.894 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001326559679 1330317545 /nfs/dbraw/zinc/31/75/45/1330317545.db2.gz YOJRJHZFPDSZHQ-IYARVYRRSA-N 2 1 332.492 2.812 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC001326585512 1330321919 /nfs/dbraw/zinc/32/19/19/1330321919.db2.gz HJEAUKYSOBXBRJ-QZTJIDSGSA-N 2 1 333.520 2.750 10 30 EFEEMP C#CC[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001327307454 1330457176 /nfs/dbraw/zinc/45/71/76/1330457176.db2.gz CZEGYZNBAWEKPW-RTBURBONSA-N 2 1 347.547 2.691 10 30 EFEEMP C=C(C)C[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001327505681 1330489648 /nfs/dbraw/zinc/48/96/48/1330489648.db2.gz DNOCVTVCIISJLI-IBGZPJMESA-N 2 1 341.499 2.590 10 30 EFEEMP C=C(C)C[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001327505681 1330489651 /nfs/dbraw/zinc/48/96/51/1330489651.db2.gz DNOCVTVCIISJLI-IBGZPJMESA-N 2 1 341.499 2.590 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC[NH+](C)C ZINC001327514094 1330492947 /nfs/dbraw/zinc/49/29/47/1330492947.db2.gz RXOBBVDYJQLPFW-PXNSSMCTSA-N 2 1 343.515 2.836 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001327530850 1330495851 /nfs/dbraw/zinc/49/58/51/1330495851.db2.gz QADTXQDJASJXEN-WIYYLYMNSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCC[N@@H+]1Cc2ccc(CNC(=O)CC3CC[NH+](C)CC3)cc2C1 ZINC001327696904 1330510243 /nfs/dbraw/zinc/51/02/43/1330510243.db2.gz ZKMMJLZHCCZAGJ-UHFFFAOYSA-N 2 1 341.499 2.926 10 30 EFEEMP C=CC[N@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001328082711 1330551798 /nfs/dbraw/zinc/55/17/98/1330551798.db2.gz PNZJLBPDWLYNGZ-HZPDHXFCSA-N 2 1 332.492 2.799 10 30 EFEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001328082711 1330551802 /nfs/dbraw/zinc/55/18/02/1330551802.db2.gz PNZJLBPDWLYNGZ-HZPDHXFCSA-N 2 1 332.492 2.799 10 30 EFEEMP C=CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001328467338 1330594212 /nfs/dbraw/zinc/59/42/12/1330594212.db2.gz DECQVRWBXVTTPD-PMACEKPBSA-N 2 1 343.515 2.864 10 30 EFEEMP CC#CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001328588515 1330605532 /nfs/dbraw/zinc/60/55/32/1330605532.db2.gz WLPBVGMELHEVNP-FQEVSTJZSA-N 2 1 347.547 2.833 10 30 EFEEMP CC#CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001328588515 1330605533 /nfs/dbraw/zinc/60/55/33/1330605533.db2.gz WLPBVGMELHEVNP-FQEVSTJZSA-N 2 1 347.547 2.833 10 30 EFEEMP CC#CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001328588515 1330605536 /nfs/dbraw/zinc/60/55/36/1330605536.db2.gz WLPBVGMELHEVNP-FQEVSTJZSA-N 2 1 347.547 2.833 10 30 EFEEMP C=CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001328588143 1330605606 /nfs/dbraw/zinc/60/56/06/1330605606.db2.gz RSBQOGXPWJFBGR-SFHVURJKSA-N 2 1 344.503 2.500 10 30 EFEEMP C=CC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001328588143 1330605608 /nfs/dbraw/zinc/60/56/08/1330605608.db2.gz RSBQOGXPWJFBGR-SFHVURJKSA-N 2 1 344.503 2.500 10 30 EFEEMP CC#CC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001328588339 1330605818 /nfs/dbraw/zinc/60/58/18/1330605818.db2.gz CTSXHDKDZOZRTQ-VQTJNVASSA-N 2 1 347.547 2.691 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](CC)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001328589149 1330605993 /nfs/dbraw/zinc/60/59/93/1330605993.db2.gz VHSPQGMYGAAPKX-MJGOQNOKSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[C@@H](C)[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001328589149 1330605997 /nfs/dbraw/zinc/60/59/97/1330605997.db2.gz VHSPQGMYGAAPKX-MJGOQNOKSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[C@@H](C)[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001328589149 1330606001 /nfs/dbraw/zinc/60/60/01/1330606001.db2.gz VHSPQGMYGAAPKX-MJGOQNOKSA-N 2 1 335.536 2.853 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC2)C1 ZINC001328812988 1330637400 /nfs/dbraw/zinc/63/74/00/1330637400.db2.gz TVCMZBGTAYEXEW-PMACEKPBSA-N 2 1 347.547 2.691 10 30 EFEEMP C=CCCC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001331058654 1330789545 /nfs/dbraw/zinc/78/95/45/1330789545.db2.gz DVHSXNMPYXLNDN-RBUKOAKNSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[NH+](C)C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001331058654 1330789548 /nfs/dbraw/zinc/78/95/48/1330789548.db2.gz DVHSXNMPYXLNDN-RBUKOAKNSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[NH+](C)C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001331058654 1330789552 /nfs/dbraw/zinc/78/95/52/1330789552.db2.gz DVHSXNMPYXLNDN-RBUKOAKNSA-N 2 1 333.520 2.892 10 30 EFEEMP CC#CC[NH2+][C@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C(C)C ZINC001331211411 1330806096 /nfs/dbraw/zinc/80/60/96/1330806096.db2.gz JQRWIUOLKLSNGT-UXHICEINSA-N 2 1 347.547 2.927 10 30 EFEEMP CC#CC[N@H+]1CC[C@]2(NC(=O)CC[NH+](C)C3CCCCC3)CCC[C@H]12 ZINC001332101299 1330920428 /nfs/dbraw/zinc/92/04/28/1330920428.db2.gz SXPJDTUNRWGNOK-PZJWPPBQSA-N 2 1 345.531 2.778 10 30 EFEEMP CC#CC[NH+]1CC[C@]2(NC(=O)CC[N@H+](C)C3CCCCC3)CCC[C@H]12 ZINC001332101299 1330920429 /nfs/dbraw/zinc/92/04/29/1330920429.db2.gz SXPJDTUNRWGNOK-PZJWPPBQSA-N 2 1 345.531 2.778 10 30 EFEEMP CC#CC[NH+]1CC[C@]2(NC(=O)CC[N@@H+](C)C3CCCCC3)CCC[C@H]12 ZINC001332101299 1330920432 /nfs/dbraw/zinc/92/04/32/1330920432.db2.gz SXPJDTUNRWGNOK-PZJWPPBQSA-N 2 1 345.531 2.778 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)CCCC[NH+](C)C)CCC[C@H]12 ZINC001332121137 1330924290 /nfs/dbraw/zinc/92/42/90/1330924290.db2.gz XLGMGAGFFGEYAV-RDJZCZTQSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)CCCC[NH+](C)C)CCC[C@H]12 ZINC001332121137 1330924293 /nfs/dbraw/zinc/92/42/93/1330924293.db2.gz XLGMGAGFFGEYAV-RDJZCZTQSA-N 2 1 327.900 2.584 10 30 EFEEMP C=CCCC[N@@H+](C)CCN(C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001332722570 1331009676 /nfs/dbraw/zinc/00/96/76/1331009676.db2.gz IDXAJDYZGXPTQA-GOSISDBHSA-N 2 1 346.519 2.889 10 30 EFEEMP C=CCCC[N@H+](C)CCN(C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001332722570 1331009680 /nfs/dbraw/zinc/00/96/80/1331009680.db2.gz IDXAJDYZGXPTQA-GOSISDBHSA-N 2 1 346.519 2.889 10 30 EFEEMP CC[C@@H](C(=O)N(CC[N@H+](C)CC#Cc1ccccc1)C(C)C)[NH+](C)C ZINC001332735411 1331012587 /nfs/dbraw/zinc/01/25/87/1331012587.db2.gz NQYOQRGBGLXPCO-FQEVSTJZSA-N 2 1 343.515 2.547 10 30 EFEEMP CC[C@@H](C(=O)N(CC[N@@H+](C)CC#Cc1ccccc1)C(C)C)[NH+](C)C ZINC001332735411 1331012592 /nfs/dbraw/zinc/01/25/92/1331012592.db2.gz NQYOQRGBGLXPCO-FQEVSTJZSA-N 2 1 343.515 2.547 10 30 EFEEMP C=CCC[NH2+]C[C@H](NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)(C)C ZINC001332859667 1331032570 /nfs/dbraw/zinc/03/25/70/1331032570.db2.gz ZAFZARKAMUZLEE-HNAYVOBHSA-N 2 1 341.515 2.896 10 30 EFEEMP C=CCC[C@@H](C)[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001333119377 1331081162 /nfs/dbraw/zinc/08/11/62/1331081162.db2.gz IUKPCLASLWMBQK-KLAILNCOSA-N 2 1 332.492 2.940 10 30 EFEEMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001368121717 1339203520 /nfs/dbraw/zinc/20/35/20/1339203520.db2.gz OPMJCRPZYVYSSK-OAHLLOKOSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001368121717 1339203522 /nfs/dbraw/zinc/20/35/22/1339203522.db2.gz OPMJCRPZYVYSSK-OAHLLOKOSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001368127043 1339205725 /nfs/dbraw/zinc/20/57/25/1339205725.db2.gz VYEKASKFPQMZOO-HZPDHXFCSA-N 2 1 327.900 2.582 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)CC)C2 ZINC001368144846 1339217045 /nfs/dbraw/zinc/21/70/45/1339217045.db2.gz MHVIBHKMPMIHLG-SFHVURJKSA-N 2 1 341.927 2.785 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001368215254 1339261470 /nfs/dbraw/zinc/26/14/70/1339261470.db2.gz CNRRLZOXXQDLCX-AEFFLSMTSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001368215254 1339261472 /nfs/dbraw/zinc/26/14/72/1339261472.db2.gz CNRRLZOXXQDLCX-AEFFLSMTSA-N 2 1 341.927 2.832 10 30 EFEEMP 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ZINC001389334933 1353311907 /nfs/dbraw/zinc/31/19/07/1353311907.db2.gz MDMODEUEOFTBOJ-HNNXBMFYSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001390566400 1354176949 /nfs/dbraw/zinc/17/69/49/1354176949.db2.gz ZIXFRWKFTGEOSB-DLBZAZTESA-N 2 1 335.879 2.622 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)Cn1c[nH+]cc1C)C1CCCCC1 ZINC001392160720 1355815732 /nfs/dbraw/zinc/81/57/32/1355815732.db2.gz HGBCIAIFYCGTAG-MRXNPFEDSA-N 2 1 338.883 2.599 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001393493896 1356896105 /nfs/dbraw/zinc/89/61/05/1356896105.db2.gz UKQKXQXUJLSMNQ-ULQDDVLXSA-N 2 1 341.927 2.878 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001397163809 1359716435 /nfs/dbraw/zinc/71/64/35/1359716435.db2.gz GVKCRMVHFKWZBL-ZWKOTPCHSA-N 2 1 349.906 2.745 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001397163809 1359716439 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DVLYVNJFWIRQJU-HZPDHXFCSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001398757801 1360767083 /nfs/dbraw/zinc/76/70/83/1360767083.db2.gz DVLYVNJFWIRQJU-HOTGVXAUSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001400150738 1361786470 /nfs/dbraw/zinc/78/64/70/1361786470.db2.gz CFTKGKGKHDZKAC-DLBZAZTESA-N 2 1 341.927 2.688 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001400150738 1361786471 /nfs/dbraw/zinc/78/64/71/1361786471.db2.gz CFTKGKGKHDZKAC-DLBZAZTESA-N 2 1 341.927 2.688 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001400150738 1361786473 /nfs/dbraw/zinc/78/64/73/1361786473.db2.gz CFTKGKGKHDZKAC-DLBZAZTESA-N 2 1 341.927 2.688 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001437371392 1387586048 /nfs/dbraw/zinc/58/60/48/1387586048.db2.gz KJVISRAGOQQZRU-CVEARBPZSA-N 2 1 341.927 2.878 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001402066077 1363372467 /nfs/dbraw/zinc/37/24/67/1363372467.db2.gz YVWLXNQDBUTJSB-DLBZAZTESA-N 2 1 339.911 2.727 10 30 EFEEMP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001402250281 1363570238 /nfs/dbraw/zinc/57/02/38/1363570238.db2.gz LXXUKMWYCDLQJT-HOTGVXAUSA-N 2 1 339.911 2.584 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001403525549 1364731265 /nfs/dbraw/zinc/73/12/65/1364731265.db2.gz LCUILOAMMCYUPW-IRXDYDNUSA-N 2 1 341.927 2.828 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001403594820 1364798865 /nfs/dbraw/zinc/79/88/65/1364798865.db2.gz JVMVGFHDAKHWRG-NVXWUHKLSA-N 2 1 341.927 2.973 10 30 EFEEMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001502382552 1404121833 /nfs/dbraw/zinc/12/18/33/1404121833.db2.gz UFIGKMRQSFZKBG-CVEARBPZSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001502382552 1404121834 /nfs/dbraw/zinc/12/18/34/1404121834.db2.gz UFIGKMRQSFZKBG-CVEARBPZSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001502382552 1404121839 /nfs/dbraw/zinc/12/18/39/1404121839.db2.gz UFIGKMRQSFZKBG-CVEARBPZSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001502382552 1404121844 /nfs/dbraw/zinc/12/18/44/1404121844.db2.gz UFIGKMRQSFZKBG-CVEARBPZSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[N@@H+](C)C(C)C ZINC001418740876 1374445038 /nfs/dbraw/zinc/44/50/38/1374445038.db2.gz BUQMLHGIYMGFQS-HYVNUMGLSA-N 2 1 341.927 2.684 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[N@H+](C)C(C)C ZINC001418740876 1374445041 /nfs/dbraw/zinc/44/50/41/1374445041.db2.gz BUQMLHGIYMGFQS-HYVNUMGLSA-N 2 1 341.927 2.684 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+](C)C(C)C ZINC001418740876 1374445045 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C=CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001501193691 1403485615 /nfs/dbraw/zinc/48/56/15/1403485615.db2.gz MWJUDCVIXBAKBD-RBUKOAKNSA-N 2 1 329.488 2.521 10 30 EFEEMP C=CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001501196223 1403487509 /nfs/dbraw/zinc/48/75/09/1403487509.db2.gz WDUBIAPYTQYTOX-IBGZPJMESA-N 2 1 329.488 2.665 10 30 EFEEMP CCCCCCC[NH+]1C[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2C1 ZINC001501222036 1403499015 /nfs/dbraw/zinc/49/90/15/1403499015.db2.gz SWPCNCLINJGWGM-HDICACEKSA-N 2 1 335.536 2.831 10 30 EFEEMP CCCCCCC[NH+]1C[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]2C1 ZINC001501222036 1403499020 /nfs/dbraw/zinc/49/90/20/1403499020.db2.gz SWPCNCLINJGWGM-HDICACEKSA-N 2 1 335.536 2.831 10 30 EFEEMP C=CCCC[NH+]1C[C@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]2C1 ZINC001501223549 1403500227 /nfs/dbraw/zinc/50/02/27/1403500227.db2.gz NYLHKGJXNKKGAS-HDICACEKSA-N 2 1 347.547 2.996 10 30 EFEEMP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]2C1 ZINC001501223549 1403500230 /nfs/dbraw/zinc/50/02/30/1403500230.db2.gz NYLHKGJXNKKGAS-HDICACEKSA-N 2 1 347.547 2.996 10 30 EFEEMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]2C1 ZINC001501223549 1403500235 /nfs/dbraw/zinc/50/02/35/1403500235.db2.gz NYLHKGJXNKKGAS-HDICACEKSA-N 2 1 347.547 2.996 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001501404686 1403591919 /nfs/dbraw/zinc/59/19/19/1403591919.db2.gz SSDUCEUJOZEFPV-RBUKOAKNSA-N 2 1 333.520 2.894 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CCCCC)CC1 ZINC001501407336 1403592863 /nfs/dbraw/zinc/59/28/63/1403592863.db2.gz BKJYSFCOWZGSBA-WOJBJXKFSA-N 2 1 345.531 2.587 10 30 EFEEMP C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)C12CCC[NH+]1CCC2 ZINC001501665681 1403685828 /nfs/dbraw/zinc/68/58/28/1403685828.db2.gz MXGLJMHSLGOBRV-UHFFFAOYSA-N 2 1 341.499 2.939 10 30 EFEEMP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001508228698 1407366456 /nfs/dbraw/zinc/36/64/56/1407366456.db2.gz IFFSZVBAJYNQDU-LJQANCHMSA-N 2 1 327.472 2.614 10 30 EFEEMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001508228698 1407366461 /nfs/dbraw/zinc/36/64/61/1407366461.db2.gz IFFSZVBAJYNQDU-LJQANCHMSA-N 2 1 327.472 2.614 10 30 EFEEMP C#CCC[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001502129886 1404025957 /nfs/dbraw/zinc/02/59/57/1404025957.db2.gz MPPBIILVZBUHSG-SFHVURJKSA-N 2 1 333.520 2.635 10 30 EFEEMP C#CCC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001502129886 1404025967 /nfs/dbraw/zinc/02/59/67/1404025967.db2.gz MPPBIILVZBUHSG-SFHVURJKSA-N 2 1 333.520 2.635 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001502129886 1404025974 /nfs/dbraw/zinc/02/59/74/1404025974.db2.gz MPPBIILVZBUHSG-SFHVURJKSA-N 2 1 333.520 2.635 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001502406015 1404148252 /nfs/dbraw/zinc/14/82/52/1404148252.db2.gz GURYGIJIFUHFQG-RBUKOAKNSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CC[N@H+]1Cc2ccc(CNC(=O)C(C)(C)[NH+]3CCCC3)cc2C1 ZINC001502650572 1404285508 /nfs/dbraw/zinc/28/55/08/1404285508.db2.gz FQATUXUKJKUODR-UHFFFAOYSA-N 2 1 327.472 2.679 10 30 EFEEMP C=CC[N@@H+]1Cc2ccc(CNC(=O)C(C)(C)[NH+]3CCCC3)cc2C1 ZINC001502650572 1404285513 /nfs/dbraw/zinc/28/55/13/1404285513.db2.gz FQATUXUKJKUODR-UHFFFAOYSA-N 2 1 327.472 2.679 10 30 EFEEMP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001502786706 1404343308 /nfs/dbraw/zinc/34/33/08/1404343308.db2.gz WVMGWKSZQMZEKS-MRXNPFEDSA-N 2 1 341.927 2.830 10 30 EFEEMP C=CCC[N@H+](CC)CC1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001505396566 1404549376 /nfs/dbraw/zinc/54/93/76/1404549376.db2.gz KVPHMKODZIXDHD-IBGZPJMESA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[NH+](CC)CC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001505396566 1404549381 /nfs/dbraw/zinc/54/93/81/1404549381.db2.gz KVPHMKODZIXDHD-IBGZPJMESA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[NH+](CC)CC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001505396566 1404549392 /nfs/dbraw/zinc/54/93/92/1404549392.db2.gz KVPHMKODZIXDHD-IBGZPJMESA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001505397811 1404551397 /nfs/dbraw/zinc/55/13/97/1404551397.db2.gz TUFAGHHZZCUFLC-IBGZPJMESA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001505397811 1404551402 /nfs/dbraw/zinc/55/14/02/1404551402.db2.gz TUFAGHHZZCUFLC-IBGZPJMESA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001505397811 1404551408 /nfs/dbraw/zinc/55/14/08/1404551408.db2.gz TUFAGHHZZCUFLC-IBGZPJMESA-N 2 1 335.536 2.997 10 30 EFEEMP C=CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001505398271 1404552521 /nfs/dbraw/zinc/55/25/21/1404552521.db2.gz CMBWEAUDFWZJHP-GOSISDBHSA-N 2 1 344.503 2.500 10 30 EFEEMP C=CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001505398271 1404552526 /nfs/dbraw/zinc/55/25/26/1404552526.db2.gz CMBWEAUDFWZJHP-GOSISDBHSA-N 2 1 344.503 2.500 10 30 EFEEMP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC001505432802 1404596932 /nfs/dbraw/zinc/59/69/32/1404596932.db2.gz SSNBTDGVKMRIOQ-INIZCTEOSA-N 2 1 335.517 2.922 10 30 EFEEMP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001505446986 1404640846 /nfs/dbraw/zinc/64/08/46/1404640846.db2.gz WUWZMCIFXQSBNY-QFBILLFUSA-N 2 1 339.499 2.698 10 30 EFEEMP C=CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001505446986 1404640862 /nfs/dbraw/zinc/64/08/62/1404640862.db2.gz WUWZMCIFXQSBNY-QFBILLFUSA-N 2 1 339.499 2.698 10 30 EFEEMP C=CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001505446986 1404640879 /nfs/dbraw/zinc/64/08/79/1404640879.db2.gz WUWZMCIFXQSBNY-QFBILLFUSA-N 2 1 339.499 2.698 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1CC ZINC001505465150 1404690171 /nfs/dbraw/zinc/69/01/71/1404690171.db2.gz GIGCXLHPTFBPEX-HZPDHXFCSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001505465150 1404690188 /nfs/dbraw/zinc/69/01/88/1404690188.db2.gz GIGCXLHPTFBPEX-HZPDHXFCSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1CC ZINC001505465150 1404690202 /nfs/dbraw/zinc/69/02/02/1404690202.db2.gz GIGCXLHPTFBPEX-HZPDHXFCSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1CC ZINC001505465150 1404690217 /nfs/dbraw/zinc/69/02/17/1404690217.db2.gz GIGCXLHPTFBPEX-HZPDHXFCSA-N 2 1 327.900 2.536 10 30 EFEEMP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001505466228 1404692561 /nfs/dbraw/zinc/69/25/61/1404692561.db2.gz VBKHKKZNVLNXCS-KRWDZBQOSA-N 2 1 345.487 2.681 10 30 EFEEMP C=C(C)CC[NH+](C)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001506006526 1405338560 /nfs/dbraw/zinc/33/85/60/1405338560.db2.gz YSWKKYQMQGZUNJ-RLLQIKCJSA-N 2 1 343.515 2.735 10 30 EFEEMP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001506006526 1405338569 /nfs/dbraw/zinc/33/85/69/1405338569.db2.gz YSWKKYQMQGZUNJ-RLLQIKCJSA-N 2 1 343.515 2.735 10 30 EFEEMP C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001506006526 1405338580 /nfs/dbraw/zinc/33/85/80/1405338580.db2.gz YSWKKYQMQGZUNJ-RLLQIKCJSA-N 2 1 343.515 2.735 10 30 EFEEMP CC#CC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1)C(C)C ZINC001506491025 1405844442 /nfs/dbraw/zinc/84/44/42/1405844442.db2.gz RRLZBOMMKZMDRB-RBUKOAKNSA-N 2 1 335.536 2.594 10 30 EFEEMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001506564028 1405969814 /nfs/dbraw/zinc/96/98/14/1405969814.db2.gz OHXBARXSKBKLFB-SFHVURJKSA-N 2 1 333.520 2.635 10 30 EFEEMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001506576228 1405993513 /nfs/dbraw/zinc/99/35/13/1405993513.db2.gz RLIXAZFKVVSDBA-MOPGFXCFSA-N 2 1 333.520 2.635 10 30 EFEEMP C=CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001565923199 1415450400 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/nfs/dbraw/zinc/47/96/62/1415479662.db2.gz YJWVVLRVRJGIQO-QRVBRYPASA-N 2 1 347.478 2.626 10 30 EFEEMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001566054265 1415494162 /nfs/dbraw/zinc/49/41/62/1415494162.db2.gz UFSCREUSVLJQDF-QYZOEREBSA-N 2 1 335.536 2.689 10 30 EFEEMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001566054265 1415494164 /nfs/dbraw/zinc/49/41/64/1415494164.db2.gz UFSCREUSVLJQDF-QYZOEREBSA-N 2 1 335.536 2.689 10 30 EFEEMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001566054265 1415494168 /nfs/dbraw/zinc/49/41/68/1415494168.db2.gz UFSCREUSVLJQDF-QYZOEREBSA-N 2 1 335.536 2.689 10 30 EFEEMP C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001566121998 1415521191 /nfs/dbraw/zinc/52/11/91/1415521191.db2.gz FXMJEZNOALXEAJ-IRXDYDNUSA-N 2 1 332.492 2.896 10 30 EFEEMP C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001566121998 1415521192 /nfs/dbraw/zinc/52/11/92/1415521192.db2.gz FXMJEZNOALXEAJ-IRXDYDNUSA-N 2 1 332.492 2.896 10 30 EFEEMP C=CCCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001566530124 1415617718 /nfs/dbraw/zinc/61/77/18/1415617718.db2.gz ZWHXIGZNAZDICD-CRAIPNDOSA-N 2 1 348.491 2.675 10 30 EFEEMP C=C(C)CC[N@H+](CC)CCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001566564982 1415647203 /nfs/dbraw/zinc/64/72/03/1415647203.db2.gz KJJCSHCCSOZKBB-QGZVFWFLSA-N 2 1 332.492 2.548 10 30 EFEEMP C=C(C)CC[N@@H+](CC)CCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001566564982 1415647208 /nfs/dbraw/zinc/64/72/08/1415647208.db2.gz KJJCSHCCSOZKBB-QGZVFWFLSA-N 2 1 332.492 2.548 10 30 EFEEMP C=C(Cl)C[N@@H+](CCCNC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001566587741 1415672588 /nfs/dbraw/zinc/67/25/88/1415672588.db2.gz QDMQYICNHMXDQX-UHFFFAOYSA-N 2 1 341.927 2.974 10 30 EFEEMP C=C(Cl)C[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001566587741 1415672589 /nfs/dbraw/zinc/67/25/89/1415672589.db2.gz QDMQYICNHMXDQX-UHFFFAOYSA-N 2 1 341.927 2.974 10 30 EFEEMP C=C(C)C[NH+]1CCC(N(C)C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001566610038 1415693569 /nfs/dbraw/zinc/69/35/69/1415693569.db2.gz XCEWRCOZIUCBOM-MRXNPFEDSA-N 2 1 332.492 2.896 10 30 EFEEMP CC#CC[NH+]1CCC(N(CCC)C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001566699058 1415737462 /nfs/dbraw/zinc/73/74/62/1415737462.db2.gz AENNJXQJYJUPBM-HDICACEKSA-N 2 1 333.520 2.586 10 30 EFEEMP C=CC[NH+]1CCC(N(CCC)C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001566697702 1415737763 /nfs/dbraw/zinc/73/77/63/1415737763.db2.gz KJIGNROENZKFKL-IEBWSBKVSA-N 2 1 333.520 2.892 10 30 EFEEMP C#CCC[NH+]1CCC(N(CCC)C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001566699980 1415738506 /nfs/dbraw/zinc/73/85/06/1415738506.db2.gz UUFGSODAYJEWMT-UYAOXDASSA-N 2 1 345.531 2.730 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)CCc2cncn2C)C1 ZINC001566746556 1415758916 /nfs/dbraw/zinc/75/89/16/1415758916.db2.gz KWSQGRKUWCMIOS-QZTJIDSGSA-N 2 1 346.519 2.878 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001566849123 1415798318 /nfs/dbraw/zinc/79/83/18/1415798318.db2.gz DFKWPEIUHMMVEX-ZIFCJYIRSA-N 2 1 333.520 2.987 10 30 EFEEMP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001566897172 1415830547 /nfs/dbraw/zinc/83/05/47/1415830547.db2.gz RYOKOBQSVBCGQU-HOTGVXAUSA-N 2 1 348.491 2.533 10 30 EFEEMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001566929905 1415853471 /nfs/dbraw/zinc/85/34/71/1415853471.db2.gz LQYPBGNFLZUPPB-RTBURBONSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001566929905 1415853473 /nfs/dbraw/zinc/85/34/73/1415853473.db2.gz LQYPBGNFLZUPPB-RTBURBONSA-N 2 1 329.488 2.836 10 30 EFEEMP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001566938570 1415858433 /nfs/dbraw/zinc/85/84/33/1415858433.db2.gz TYIBHZRVHRLUCA-UYAOXDASSA-N 2 1 345.531 2.635 10 30 EFEEMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001566972953 1415882829 /nfs/dbraw/zinc/88/28/29/1415882829.db2.gz CDHDGKYXRSANOY-OBKDMQGPSA-N 2 1 345.531 2.796 10 30 EFEEMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001566972953 1415882833 /nfs/dbraw/zinc/88/28/33/1415882833.db2.gz CDHDGKYXRSANOY-OBKDMQGPSA-N 2 1 345.531 2.796 10 30 EFEEMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001566972953 1415882839 /nfs/dbraw/zinc/88/28/39/1415882839.db2.gz CDHDGKYXRSANOY-OBKDMQGPSA-N 2 1 345.531 2.796 10 30 EFEEMP C=C(C)C[NH2+]CCc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)cc1 ZINC001567181558 1415975121 /nfs/dbraw/zinc/97/51/21/1415975121.db2.gz NCXDCHHKGHLAIY-VQTJNVASSA-N 2 1 343.515 2.741 10 30 EFEEMP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001567266838 1416046634 /nfs/dbraw/zinc/04/66/34/1416046634.db2.gz OADDJIUZNLHQRB-WOJBJXKFSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001567266838 1416046637 /nfs/dbraw/zinc/04/66/37/1416046637.db2.gz OADDJIUZNLHQRB-WOJBJXKFSA-N 2 1 341.499 2.673 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001567409392 1416123960 /nfs/dbraw/zinc/12/39/60/1416123960.db2.gz GWPQKKCLRINRPI-VQIMIIECSA-N 2 1 339.499 2.603 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001567409392 1416123962 /nfs/dbraw/zinc/12/39/62/1416123962.db2.gz GWPQKKCLRINRPI-VQIMIIECSA-N 2 1 339.499 2.603 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001567409392 1416123966 /nfs/dbraw/zinc/12/39/66/1416123966.db2.gz GWPQKKCLRINRPI-VQIMIIECSA-N 2 1 339.499 2.603 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CCCCCC)CC1 ZINC001567626778 1416215266 /nfs/dbraw/zinc/21/52/66/1416215266.db2.gz HKLNTSAJIZXMSS-QUCCMNQESA-N 2 1 347.547 2.881 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CCCCCC)CC1 ZINC001567626778 1416215268 /nfs/dbraw/zinc/21/52/68/1416215268.db2.gz HKLNTSAJIZXMSS-QUCCMNQESA-N 2 1 347.547 2.881 10 30 EFEEMP C=CCC[NH2+][C@H](C)C1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001567634846 1416219987 /nfs/dbraw/zinc/21/99/87/1416219987.db2.gz SDQYLGWZQKVKRT-GOSISDBHSA-N 2 1 343.515 2.911 10 30 EFEEMP C=CCC[NH2+][C@H](C)C1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001567634846 1416219989 /nfs/dbraw/zinc/21/99/89/1416219989.db2.gz SDQYLGWZQKVKRT-GOSISDBHSA-N 2 1 343.515 2.911 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001567702421 1416254756 /nfs/dbraw/zinc/25/47/56/1416254756.db2.gz CUZDPZZAJJECES-QZTJIDSGSA-N 2 1 333.520 2.798 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001567715498 1416259161 /nfs/dbraw/zinc/25/91/61/1416259161.db2.gz KZRICKBHTIAFAT-MOPGFXCFSA-N 2 1 335.536 2.901 10 30 EFEEMP C#CCC[N@H+](C)CC1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001567748876 1416270551 /nfs/dbraw/zinc/27/05/51/1416270551.db2.gz SDCHQAHWYDIFRX-UHFFFAOYSA-N 2 1 347.547 2.833 10 30 EFEEMP C#CCC[NH+](C)CC1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001567748876 1416270556 /nfs/dbraw/zinc/27/05/56/1416270556.db2.gz SDCHQAHWYDIFRX-UHFFFAOYSA-N 2 1 347.547 2.833 10 30 EFEEMP C#CCC[NH+](C)CC1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001567748876 1416270560 /nfs/dbraw/zinc/27/05/60/1416270560.db2.gz SDCHQAHWYDIFRX-UHFFFAOYSA-N 2 1 347.547 2.833 10 30 EFEEMP C#CCC[NH2+]C[C@]1(NC(=O)CCCn2cc[nH+]c2C)CCCC[C@@H]1C ZINC001568039763 1416371193 /nfs/dbraw/zinc/37/11/93/1416371193.db2.gz GSLZKXBJZMVXKJ-FXAWDEMLSA-N 2 1 344.503 2.650 10 30 EFEEMP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001568067763 1416391468 /nfs/dbraw/zinc/39/14/68/1416391468.db2.gz ILBFEOJJIRYZHB-LPHOPBHVSA-N 2 1 339.499 2.603 10 30 EFEEMP C=C(Cl)C[NH2+]CC[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001568387175 1416507285 /nfs/dbraw/zinc/50/72/85/1416507285.db2.gz RDZBLDYCIJVCKB-IRXDYDNUSA-N 2 1 341.927 2.974 10 30 EFEEMP C=C(Cl)C[N@@H+](CC)CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001689936086 1417099736 /nfs/dbraw/zinc/09/97/36/1417099736.db2.gz CVVMLALRVFXEGJ-QGZVFWFLSA-N 2 1 341.927 2.974 10 30 EFEEMP C=C(Cl)C[NH+](CC)CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001689936086 1417099740 /nfs/dbraw/zinc/09/97/40/1417099740.db2.gz CVVMLALRVFXEGJ-QGZVFWFLSA-N 2 1 341.927 2.974 10 30 EFEEMP C=C(Cl)C[NH+](CC)CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001689936086 1417099745 /nfs/dbraw/zinc/09/97/45/1417099745.db2.gz CVVMLALRVFXEGJ-QGZVFWFLSA-N 2 1 341.927 2.974 10 30 EFEEMP C=C(C)CC[N@@H+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001690009429 1417129896 /nfs/dbraw/zinc/12/98/96/1417129896.db2.gz VXQDMCYEWXBZMA-RTBURBONSA-N 2 1 333.520 2.940 10 30 EFEEMP C=C(C)CC[NH+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)C1CC1 ZINC001690009429 1417129900 /nfs/dbraw/zinc/12/99/00/1417129900.db2.gz VXQDMCYEWXBZMA-RTBURBONSA-N 2 1 333.520 2.940 10 30 EFEEMP C=C(C)CC[NH+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)C1CC1 ZINC001690009429 1417129906 /nfs/dbraw/zinc/12/99/06/1417129906.db2.gz VXQDMCYEWXBZMA-RTBURBONSA-N 2 1 333.520 2.940 10 30 EFEEMP C=C(C)CC[N@@H+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001690009428 1417130235 /nfs/dbraw/zinc/13/02/35/1417130235.db2.gz VXQDMCYEWXBZMA-RBUKOAKNSA-N 2 1 333.520 2.940 10 30 EFEEMP C=C(C)CC[NH+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)C1CC1 ZINC001690009428 1417130239 /nfs/dbraw/zinc/13/02/39/1417130239.db2.gz VXQDMCYEWXBZMA-RBUKOAKNSA-N 2 1 333.520 2.940 10 30 EFEEMP C=C(C)CC[NH+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)C1CC1 ZINC001690009428 1417130243 /nfs/dbraw/zinc/13/02/43/1417130243.db2.gz VXQDMCYEWXBZMA-RBUKOAKNSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCCCCC[NH+]1CCC2(C[C@H]2NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001690130794 1417161649 /nfs/dbraw/zinc/16/16/49/1417161649.db2.gz JKMMEKRQGKNZPS-GOSISDBHSA-N 2 1 344.503 2.909 10 30 EFEEMP C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001690409982 1417211671 /nfs/dbraw/zinc/21/16/71/1417211671.db2.gz XOSBFILGWGVRJK-MJGOQNOKSA-N 2 1 333.520 2.798 10 30 EFEEMP C#CC[NH2+][C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC001691792952 1417247997 /nfs/dbraw/zinc/24/79/97/1417247997.db2.gz RVNMDDFSLFLPII-FQEVSTJZSA-N 2 1 341.499 2.721 10 30 EFEEMP C=CC[N@H+](C)CC1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001692016623 1417252795 /nfs/dbraw/zinc/25/27/95/1417252795.db2.gz JAGBAIPLBKDVPC-UHFFFAOYSA-N 2 1 326.444 2.613 10 30 EFEEMP CC#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001692252095 1417267549 /nfs/dbraw/zinc/26/75/49/1417267549.db2.gz GZECHUJYPLOAKI-MSOLQXFVSA-N 2 1 344.503 2.733 10 30 EFEEMP CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001692252095 1417267550 /nfs/dbraw/zinc/26/75/50/1417267550.db2.gz GZECHUJYPLOAKI-MSOLQXFVSA-N 2 1 344.503 2.733 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001698569798 1417306539 /nfs/dbraw/zinc/30/65/39/1417306539.db2.gz TYJLELLXAHEMOC-GOSISDBHSA-N 2 1 335.536 2.997 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCCCC2)CCCC1 ZINC001698797585 1417335849 /nfs/dbraw/zinc/33/58/49/1417335849.db2.gz RIFRRIVWSXEFHP-IBGZPJMESA-N 2 1 345.531 2.683 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCCCC2)CCCC1 ZINC001698797585 1417335855 /nfs/dbraw/zinc/33/58/55/1417335855.db2.gz RIFRRIVWSXEFHP-IBGZPJMESA-N 2 1 345.531 2.683 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](C)CCC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001698956415 1417357159 /nfs/dbraw/zinc/35/71/59/1417357159.db2.gz XBTPEPKNHWDCMR-GOSISDBHSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]21 ZINC001699020249 1417371762 /nfs/dbraw/zinc/37/17/62/1417371762.db2.gz MRJFAPFJRZATIS-MSOLQXFVSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]21 ZINC001699020249 1417371765 /nfs/dbraw/zinc/37/17/65/1417371765.db2.gz MRJFAPFJRZATIS-MSOLQXFVSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]21 ZINC001699020249 1417371767 /nfs/dbraw/zinc/37/17/67/1417371767.db2.gz MRJFAPFJRZATIS-MSOLQXFVSA-N 2 1 335.536 2.853 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC1CCC2(CC2)CC1 ZINC001699103913 1417390452 /nfs/dbraw/zinc/39/04/52/1417390452.db2.gz BVFBGEFKKDPBMJ-HKUYNNGSSA-N 2 1 345.531 2.539 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC1CCC2(CC2)CC1 ZINC001699103913 1417390455 /nfs/dbraw/zinc/39/04/55/1417390455.db2.gz BVFBGEFKKDPBMJ-HKUYNNGSSA-N 2 1 345.531 2.539 10 30 EFEEMP C=C(C)CC[NH2+]CCCN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001699533055 1417428721 /nfs/dbraw/zinc/42/87/21/1417428721.db2.gz AMEQUFXSAUHRKI-GOSISDBHSA-N 2 1 327.488 2.603 10 30 EFEEMP CC#CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)C1CCCCCC1 ZINC001699683582 1417450796 /nfs/dbraw/zinc/45/07/96/1417450796.db2.gz NENBVPVTZPNWTQ-LJQANCHMSA-N 2 1 333.520 2.635 10 30 EFEEMP CC#CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)C1CCCCCC1 ZINC001699683582 1417450800 /nfs/dbraw/zinc/45/08/00/1417450800.db2.gz NENBVPVTZPNWTQ-LJQANCHMSA-N 2 1 333.520 2.635 10 30 EFEEMP CC#CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)C1CCCCCC1 ZINC001699683582 1417450802 /nfs/dbraw/zinc/45/08/02/1417450802.db2.gz NENBVPVTZPNWTQ-LJQANCHMSA-N 2 1 333.520 2.635 10 30 EFEEMP C=CCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001699684350 1417451599 /nfs/dbraw/zinc/45/15/99/1417451599.db2.gz RNLCVZJHOONDFX-CEXWTWQISA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CCC ZINC001699684350 1417451605 /nfs/dbraw/zinc/45/16/05/1417451605.db2.gz RNLCVZJHOONDFX-CEXWTWQISA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CCC ZINC001699684350 1417451607 /nfs/dbraw/zinc/45/16/07/1417451607.db2.gz RNLCVZJHOONDFX-CEXWTWQISA-N 2 1 333.520 2.892 10 30 EFEEMP C=C(C)CC[N@@H+](CC1CC1)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001699688923 1417453362 /nfs/dbraw/zinc/45/33/62/1417453362.db2.gz JYZQARUQMSRCEL-UHFFFAOYSA-N 2 1 347.547 2.997 10 30 EFEEMP C#CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001699785177 1417468401 /nfs/dbraw/zinc/46/84/01/1417468401.db2.gz GYVUGZXDMMJDGT-OALUTQOASA-N 2 1 345.531 2.609 10 30 EFEEMP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001699864708 1417483991 /nfs/dbraw/zinc/48/39/91/1417483991.db2.gz AZLLEDIOUQWROT-QGZVFWFLSA-N 2 1 344.503 2.548 10 30 EFEEMP C=CCC[NH+]1CCC(C)(CNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001699864041 1417484161 /nfs/dbraw/zinc/48/41/61/1417484161.db2.gz HEIRFKPCJOUNMC-UHFFFAOYSA-N 2 1 332.492 2.801 10 30 EFEEMP C=CCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001699866453 1417485556 /nfs/dbraw/zinc/48/55/56/1417485556.db2.gz ZZMPPRCFCLAUMY-ZWKOTPCHSA-N 2 1 333.520 2.798 10 30 EFEEMP C=C(C)C[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccccc1CC ZINC001699929801 1417510952 /nfs/dbraw/zinc/51/09/52/1417510952.db2.gz AJPLHINJJYOCGA-XLIONFOSSA-N 2 1 343.515 2.914 10 30 EFEEMP C=CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001700092175 1417564028 /nfs/dbraw/zinc/56/40/28/1417564028.db2.gz VGIDLYVFKHRXAJ-LJQANCHMSA-N 2 1 329.488 2.795 10 30 EFEEMP C=CCC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001700092175 1417564030 /nfs/dbraw/zinc/56/40/30/1417564030.db2.gz VGIDLYVFKHRXAJ-LJQANCHMSA-N 2 1 329.488 2.795 10 30 EFEEMP C=CCC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001700092175 1417564032 /nfs/dbraw/zinc/56/40/32/1417564032.db2.gz VGIDLYVFKHRXAJ-LJQANCHMSA-N 2 1 329.488 2.795 10 30 EFEEMP C=CCCC[N@H+](C)C1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001700697954 1417619542 /nfs/dbraw/zinc/61/95/42/1417619542.db2.gz NBABTNOZNCDJOG-UHFFFAOYSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001713199973 1418372704 /nfs/dbraw/zinc/37/27/04/1418372704.db2.gz VYDOWPCBNKSEPF-OKZBNKHCSA-N 2 1 344.503 2.737 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001713224665 1418397812 /nfs/dbraw/zinc/39/78/12/1418397812.db2.gz ZPBPJEOYEFCXBU-MOPGFXCFSA-N 2 1 335.536 2.901 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001713275518 1418444136 /nfs/dbraw/zinc/44/41/36/1418444136.db2.gz JWAUEXLKFAZPGK-MOPGFXCFSA-N 2 1 347.547 2.739 10 30 EFEEMP C#CCC[NH2+]C1CCC(NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001713289779 1418456275 /nfs/dbraw/zinc/45/62/75/1418456275.db2.gz UJNDXZIBPREGOS-UHFFFAOYSA-N 2 1 333.520 2.681 10 30 EFEEMP C=CCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001713397024 1418505955 /nfs/dbraw/zinc/50/59/55/1418505955.db2.gz IOONJEFGQJZVPO-LJQANCHMSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001713400891 1418508197 /nfs/dbraw/zinc/50/81/97/1418508197.db2.gz LGHJUPIUJGQFLO-KRWDZBQOSA-N 2 1 341.927 2.928 10 30 EFEEMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001713400891 1418508201 /nfs/dbraw/zinc/50/82/01/1418508201.db2.gz LGHJUPIUJGQFLO-KRWDZBQOSA-N 2 1 341.927 2.928 10 30 EFEEMP C=C(C)CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001713430137 1418524645 /nfs/dbraw/zinc/52/46/45/1418524645.db2.gz BDWKMDKHIJCRSD-MOPGFXCFSA-N 2 1 333.520 2.655 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001713721122 1418571959 /nfs/dbraw/zinc/57/19/59/1418571959.db2.gz JZODHMKYSWTOOJ-ICSRJNTNSA-N 2 1 333.520 2.751 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@H](N(CCC)C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001713721122 1418571961 /nfs/dbraw/zinc/57/19/61/1418571961.db2.gz JZODHMKYSWTOOJ-ICSRJNTNSA-N 2 1 333.520 2.751 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@H](N(CCC)C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001713721122 1418571964 /nfs/dbraw/zinc/57/19/64/1418571964.db2.gz JZODHMKYSWTOOJ-ICSRJNTNSA-N 2 1 333.520 2.751 10 30 EFEEMP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001714138788 1418584031 /nfs/dbraw/zinc/58/40/31/1418584031.db2.gz VNBBOLRXUXCVGU-WOJBJXKFSA-N 2 1 341.499 2.673 10 30 EFEEMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)cc1 ZINC001714321748 1418601088 /nfs/dbraw/zinc/60/10/88/1418601088.db2.gz ATPQAHVXLRBPLM-RBUKOAKNSA-N 2 1 327.472 2.595 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001714650729 1418612815 /nfs/dbraw/zinc/61/28/15/1418612815.db2.gz PHAHTYWCOGVJIX-PKOBYXMFSA-N 2 1 329.488 2.694 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001714650729 1418612817 /nfs/dbraw/zinc/61/28/17/1418612817.db2.gz PHAHTYWCOGVJIX-PKOBYXMFSA-N 2 1 329.488 2.694 10 30 EFEEMP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001715142624 1418654177 /nfs/dbraw/zinc/65/41/77/1418654177.db2.gz REORGHRTMGYOKQ-MSOLQXFVSA-N 2 1 344.503 2.638 10 30 EFEEMP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001715142635 1418654183 /nfs/dbraw/zinc/65/41/83/1418654183.db2.gz REORGHRTMGYOKQ-ZWKOTPCHSA-N 2 1 344.503 2.638 10 30 EFEEMP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001715858809 1418689871 /nfs/dbraw/zinc/68/98/71/1418689871.db2.gz DAEKSBZYXMRPDG-KEGWNNHHSA-N 2 1 339.911 2.798 10 30 EFEEMP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001716175643 1418714596 /nfs/dbraw/zinc/71/45/96/1418714596.db2.gz UPKACPIRXOKLDL-SXLOBPIMSA-N 2 1 343.515 2.782 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)C1 ZINC001716705520 1418964111 /nfs/dbraw/zinc/96/41/11/1418964111.db2.gz BEWDTGQJIRRUAD-RTBURBONSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001716705520 1418964114 /nfs/dbraw/zinc/96/41/14/1418964114.db2.gz BEWDTGQJIRRUAD-RTBURBONSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001716705520 1418964115 /nfs/dbraw/zinc/96/41/15/1418964115.db2.gz BEWDTGQJIRRUAD-RTBURBONSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)C1 ZINC001716705519 1418964245 /nfs/dbraw/zinc/96/42/45/1418964245.db2.gz BEWDTGQJIRRUAD-RBUKOAKNSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001716705519 1418964250 /nfs/dbraw/zinc/96/42/50/1418964250.db2.gz BEWDTGQJIRRUAD-RBUKOAKNSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001716705519 1418964254 /nfs/dbraw/zinc/96/42/54/1418964254.db2.gz BEWDTGQJIRRUAD-RBUKOAKNSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001716735212 1418984413 /nfs/dbraw/zinc/98/44/13/1418984413.db2.gz LQSCEZAGNJANHN-HXUWFJFHSA-N 2 1 344.503 2.862 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001716735212 1418984416 /nfs/dbraw/zinc/98/44/16/1418984416.db2.gz LQSCEZAGNJANHN-HXUWFJFHSA-N 2 1 344.503 2.862 10 30 EFEEMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC001716770593 1419000680 /nfs/dbraw/zinc/00/06/80/1419000680.db2.gz KXKNSXWEKZDZPR-WMZOPIPTSA-N 2 1 332.492 2.907 10 30 EFEEMP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001716777750 1419004276 /nfs/dbraw/zinc/00/42/76/1419004276.db2.gz VMFWTLSPAYQOAF-HKUYNNGSSA-N 2 1 333.520 2.798 10 30 EFEEMP C#CC[NH2+]C[C@@H](NC(=O)C[N@H+](C)C1CCC1)c1ccc2ccccc2c1 ZINC001716812152 1419025159 /nfs/dbraw/zinc/02/51/59/1419025159.db2.gz BIDQSTGNODFLJG-OAQYLSRUSA-N 2 1 349.478 2.704 10 30 EFEEMP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1CCCC1 ZINC001716822373 1419032121 /nfs/dbraw/zinc/03/21/21/1419032121.db2.gz KTNJUAHXDPIOSP-RTBURBONSA-N 2 1 333.520 2.537 10 30 EFEEMP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001716895740 1419082638 /nfs/dbraw/zinc/08/26/38/1419082638.db2.gz MEHYIWGQNZFYNZ-LJQANCHMSA-N 2 1 347.528 2.665 10 30 EFEEMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001716900463 1419085604 /nfs/dbraw/zinc/08/56/04/1419085604.db2.gz YGMUHYNIJNOJTP-NRFANRHFSA-N 2 1 343.515 2.809 10 30 EFEEMP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001716911905 1419093874 /nfs/dbraw/zinc/09/38/74/1419093874.db2.gz DEFDPTJFGOMCBX-INIZCTEOSA-N 2 1 343.462 2.512 10 30 EFEEMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001716997929 1419133523 /nfs/dbraw/zinc/13/35/23/1419133523.db2.gz BJJOOWDFOLRCPX-REPLKXPHSA-N 2 1 345.531 2.633 10 30 EFEEMP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001717003337 1419138704 /nfs/dbraw/zinc/13/87/04/1419138704.db2.gz VWVJBHLSPWWRKE-FHWLQOOXSA-N 2 1 335.536 2.948 10 30 EFEEMP C=C(C)C[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001717004827 1419140108 /nfs/dbraw/zinc/14/01/08/1419140108.db2.gz CGIVWNSJMLRUKL-IEBWSBKVSA-N 2 1 329.488 2.521 10 30 EFEEMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001717036852 1419169508 /nfs/dbraw/zinc/16/95/08/1419169508.db2.gz HDUMJTCYBVNXDI-AQNXPRMDSA-N 2 1 341.499 2.931 10 30 EFEEMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001717036852 1419169513 /nfs/dbraw/zinc/16/95/13/1419169513.db2.gz HDUMJTCYBVNXDI-AQNXPRMDSA-N 2 1 341.499 2.931 10 30 EFEEMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001717036852 1419169515 /nfs/dbraw/zinc/16/95/15/1419169515.db2.gz HDUMJTCYBVNXDI-AQNXPRMDSA-N 2 1 341.499 2.931 10 30 EFEEMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001717036852 1419169519 /nfs/dbraw/zinc/16/95/19/1419169519.db2.gz HDUMJTCYBVNXDI-AQNXPRMDSA-N 2 1 341.499 2.931 10 30 EFEEMP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001717101956 1419209200 /nfs/dbraw/zinc/20/92/00/1419209200.db2.gz WZGAXEBDEUIZPO-KRWDZBQOSA-N 2 1 332.492 2.801 10 30 EFEEMP C#CCC[N@H+](C)Cc1ccccc1CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001717117410 1419221283 /nfs/dbraw/zinc/22/12/83/1419221283.db2.gz RQPXCSOKJWXBFD-ROUUACIJSA-N 2 1 341.499 2.631 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001717247441 1419291553 /nfs/dbraw/zinc/29/15/53/1419291553.db2.gz HPURYIIMLMHNEP-FQEVSTJZSA-N 2 1 335.536 2.999 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001717310377 1419322377 /nfs/dbraw/zinc/32/23/77/1419322377.db2.gz GMMSHPGOIPPLTL-SJORKVTESA-N 2 1 335.536 2.900 10 30 EFEEMP C=CC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001717357633 1419352187 /nfs/dbraw/zinc/35/21/87/1419352187.db2.gz YNLOIWQKCWBAIV-RBUKOAKNSA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001717361189 1419354499 /nfs/dbraw/zinc/35/44/99/1419354499.db2.gz HQWOKLNFTPQIFX-LDQXTDLNSA-N 2 1 341.499 2.666 10 30 EFEEMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001717365177 1419357894 /nfs/dbraw/zinc/35/78/94/1419357894.db2.gz JQPVTTCERHECNT-ICSRJNTNSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001717365177 1419357895 /nfs/dbraw/zinc/35/78/95/1419357895.db2.gz JQPVTTCERHECNT-ICSRJNTNSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001717365177 1419357897 /nfs/dbraw/zinc/35/78/97/1419357897.db2.gz JQPVTTCERHECNT-ICSRJNTNSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001717371488 1419363407 /nfs/dbraw/zinc/36/34/07/1419363407.db2.gz QDHNSYGBLSSWPG-VQTJNVASSA-N 2 1 345.531 2.730 10 30 EFEEMP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001717371488 1419363408 /nfs/dbraw/zinc/36/34/08/1419363408.db2.gz QDHNSYGBLSSWPG-VQTJNVASSA-N 2 1 345.531 2.730 10 30 EFEEMP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001717371488 1419363411 /nfs/dbraw/zinc/36/34/11/1419363411.db2.gz QDHNSYGBLSSWPG-VQTJNVASSA-N 2 1 345.531 2.730 10 30 EFEEMP C#CCC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC001717514577 1419422528 /nfs/dbraw/zinc/42/25/28/1419422528.db2.gz UGYZVGMRDXIECL-PMACEKPBSA-N 2 1 347.547 2.879 10 30 EFEEMP C#CCC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC001717514579 1419422628 /nfs/dbraw/zinc/42/26/28/1419422628.db2.gz UGYZVGMRDXIECL-VQTJNVASSA-N 2 1 347.547 2.879 10 30 EFEEMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001717537025 1419433067 /nfs/dbraw/zinc/43/30/67/1419433067.db2.gz VTNYKCSCIALRMZ-ROUUACIJSA-N 2 1 344.503 2.781 10 30 EFEEMP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001717537025 1419433069 /nfs/dbraw/zinc/43/30/69/1419433069.db2.gz VTNYKCSCIALRMZ-ROUUACIJSA-N 2 1 344.503 2.781 10 30 EFEEMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H](c3ccccc3)[N@H+](C)CC)[C@@H]2C1 ZINC001717604233 1419465750 /nfs/dbraw/zinc/46/57/50/1419465750.db2.gz OWZGPVODKBFMIN-HAGHYFMRSA-N 2 1 341.499 2.550 10 30 EFEEMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](c3ccccc3)[NH+](C)CC)[C@@H]2C1 ZINC001717604233 1419465752 /nfs/dbraw/zinc/46/57/52/1419465752.db2.gz OWZGPVODKBFMIN-HAGHYFMRSA-N 2 1 341.499 2.550 10 30 EFEEMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](c3ccccc3)[NH+](C)CC)[C@@H]2C1 ZINC001717604233 1419465754 /nfs/dbraw/zinc/46/57/54/1419465754.db2.gz OWZGPVODKBFMIN-HAGHYFMRSA-N 2 1 341.499 2.550 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001717629824 1419478702 /nfs/dbraw/zinc/47/87/02/1419478702.db2.gz XOQCUXFTANUTQK-ZWKOTPCHSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCCC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001717629824 1419478705 /nfs/dbraw/zinc/47/87/05/1419478705.db2.gz XOQCUXFTANUTQK-ZWKOTPCHSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCCC2(CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001717629824 1419478707 /nfs/dbraw/zinc/47/87/07/1419478707.db2.gz XOQCUXFTANUTQK-ZWKOTPCHSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCC[C@H](C)[NH+](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001717700816 1419514669 /nfs/dbraw/zinc/51/46/69/1419514669.db2.gz HVRCVGKMZUVZTF-YTQUADARSA-N 2 1 335.536 2.994 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001717700816 1419514673 /nfs/dbraw/zinc/51/46/73/1419514673.db2.gz HVRCVGKMZUVZTF-YTQUADARSA-N 2 1 335.536 2.994 10 30 EFEEMP C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001717700816 1419514676 /nfs/dbraw/zinc/51/46/76/1419514676.db2.gz HVRCVGKMZUVZTF-YTQUADARSA-N 2 1 335.536 2.994 10 30 EFEEMP C=C(C)CC[NH2+][C@H](CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC001717721655 1419525784 /nfs/dbraw/zinc/52/57/84/1419525784.db2.gz IMEOAGAPKLRCSE-IEBWSBKVSA-N 2 1 346.519 2.841 10 30 EFEEMP CC[N@@H+](C)CCC(=O)N[C@H](C[NH2+]CC#Cc1ccccc1)C(C)(C)C ZINC001717969995 1419634853 /nfs/dbraw/zinc/63/48/53/1419634853.db2.gz HABGQQZTCCYTAS-LJQANCHMSA-N 2 1 343.515 2.500 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001717978835 1419638918 /nfs/dbraw/zinc/63/89/18/1419638918.db2.gz KYIOQWRGHSAKEM-GGPKGHCWSA-N 2 1 345.531 2.655 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001717978835 1419638919 /nfs/dbraw/zinc/63/89/19/1419638919.db2.gz KYIOQWRGHSAKEM-GGPKGHCWSA-N 2 1 345.531 2.655 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1C(F)(F)F ZINC001717987254 1419644170 /nfs/dbraw/zinc/64/41/70/1419644170.db2.gz RRJFUGBKDWYSQG-GJZGRUSLSA-N 2 1 349.441 2.662 10 30 EFEEMP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1CC ZINC001723390551 1424485192 /nfs/dbraw/zinc/48/51/92/1424485192.db2.gz XGHCRGMREVEGAP-RBUKOAKNSA-N 2 1 329.488 2.521 10 30 EFEEMP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1CC ZINC001723390551 1424485197 /nfs/dbraw/zinc/48/51/97/1424485197.db2.gz XGHCRGMREVEGAP-RBUKOAKNSA-N 2 1 329.488 2.521 10 30 EFEEMP C=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCCn2ccnc2)C1 ZINC001723606555 1424530224 /nfs/dbraw/zinc/53/02/24/1424530224.db2.gz GMPGLWZSAMEKJD-QZTJIDSGSA-N 2 1 330.476 2.552 10 30 EFEEMP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCCn2ccnc2)C1 ZINC001723606554 1424530299 /nfs/dbraw/zinc/53/02/99/1424530299.db2.gz GMPGLWZSAMEKJD-MSOLQXFVSA-N 2 1 330.476 2.552 10 30 EFEEMP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001723609710 1424535407 /nfs/dbraw/zinc/53/54/07/1424535407.db2.gz WGKJMARVSAJVAF-MOPGFXCFSA-N 2 1 333.520 2.751 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001723610109 1424535465 /nfs/dbraw/zinc/53/54/65/1424535465.db2.gz YZDNDEWWEIGKGH-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001723610109 1424535467 /nfs/dbraw/zinc/53/54/67/1424535467.db2.gz YZDNDEWWEIGKGH-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001723610109 1424535472 /nfs/dbraw/zinc/53/54/72/1424535472.db2.gz YZDNDEWWEIGKGH-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001723648107 1424546849 /nfs/dbraw/zinc/54/68/49/1424546849.db2.gz YDMDBIZBDCITKO-HXUWFJFHSA-N 2 1 345.531 2.607 10 30 EFEEMP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)[C@@H](C)C1 ZINC001723864658 1424598245 /nfs/dbraw/zinc/59/82/45/1424598245.db2.gz XBKAIIUMYLZGDV-AZUAARDMSA-N 2 1 343.515 2.706 10 30 EFEEMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C1CCCC1 ZINC001724094915 1424653873 /nfs/dbraw/zinc/65/38/73/1424653873.db2.gz LGVIFCWTLJWHPL-MJGOQNOKSA-N 2 1 344.503 2.595 10 30 EFEEMP C=C(C)C[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1C)c1ccccc1CC ZINC001724513247 1424777454 /nfs/dbraw/zinc/77/74/54/1424777454.db2.gz ZUJRXZCWYQTNGI-LJQANCHMSA-N 2 1 340.471 2.777 10 30 EFEEMP C=CCCCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001724649179 1424879928 /nfs/dbraw/zinc/87/99/28/1424879928.db2.gz LJYCZKNSCLVLET-CEXWTWQISA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001724649179 1424879934 /nfs/dbraw/zinc/87/99/34/1424879934.db2.gz LJYCZKNSCLVLET-CEXWTWQISA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001724649179 1424879940 /nfs/dbraw/zinc/87/99/40/1424879940.db2.gz LJYCZKNSCLVLET-CEXWTWQISA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001724654065 1424886991 /nfs/dbraw/zinc/88/69/91/1424886991.db2.gz SDBACVGEEHXAAJ-QRVBRYPASA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001724654065 1424887002 /nfs/dbraw/zinc/88/70/02/1424887002.db2.gz SDBACVGEEHXAAJ-QRVBRYPASA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001724654065 1424887010 /nfs/dbraw/zinc/88/70/10/1424887010.db2.gz SDBACVGEEHXAAJ-QRVBRYPASA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCC[NH+]1CCCC1 ZINC001724653945 1424887098 /nfs/dbraw/zinc/88/70/98/1424887098.db2.gz XADMVNRKYCPSQJ-RTBURBONSA-N 2 1 333.520 2.894 10 30 EFEEMP C=CCCCCC[N@H+]1C[C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001724656480 1424892979 /nfs/dbraw/zinc/89/29/79/1424892979.db2.gz 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10 30 EFEEMP C#CC[N@H+](C)Cc1ccccc1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001724738395 1424964366 /nfs/dbraw/zinc/96/43/66/1424964366.db2.gz KYOVPHBIVJMARX-SFHVURJKSA-N 2 1 341.499 2.632 10 30 EFEEMP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001724740271 1424967382 /nfs/dbraw/zinc/96/73/82/1424967382.db2.gz FBNFUSWKRYOGAL-GPMSIDNRSA-N 2 1 329.488 2.870 10 30 EFEEMP C#CCC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001724742801 1424970011 /nfs/dbraw/zinc/97/00/11/1424970011.db2.gz TUIQFVSOLJLGDX-HXUWFJFHSA-N 2 1 341.499 2.632 10 30 EFEEMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)CC1 ZINC001724760009 1424990803 /nfs/dbraw/zinc/99/08/03/1424990803.db2.gz PCTVYHHWUUJRLF-RBUKOAKNSA-N 2 1 345.531 2.894 10 30 EFEEMP C#CCC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001724863267 1425078898 /nfs/dbraw/zinc/07/88/98/1425078898.db2.gz ORHJLFCJUIXBTC-PMACEKPBSA-N 2 1 347.547 2.692 10 30 EFEEMP 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EFEEMP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001569694914 1085526190 /nfs/dbraw/zinc/52/61/90/1085526190.db2.gz BASFIUMJZPBIEM-HXUWFJFHSA-N 2 1 329.488 2.523 10 30 EFEEMP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001569694914 1085526193 /nfs/dbraw/zinc/52/61/93/1085526193.db2.gz BASFIUMJZPBIEM-HXUWFJFHSA-N 2 1 329.488 2.523 10 30 EFEEMP C#CCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001569716412 1085551330 /nfs/dbraw/zinc/55/13/30/1085551330.db2.gz XDVVWEGRPNEXKR-PZJWPPBQSA-N 2 1 345.531 2.635 10 30 EFEEMP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001569716412 1085551337 /nfs/dbraw/zinc/55/13/37/1085551337.db2.gz XDVVWEGRPNEXKR-PZJWPPBQSA-N 2 1 345.531 2.635 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001569716412 1085551348 /nfs/dbraw/zinc/55/13/48/1085551348.db2.gz XDVVWEGRPNEXKR-PZJWPPBQSA-N 2 1 345.531 2.635 10 30 EFEEMP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C 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EFEEMP C#CC[N@H+](C)Cc1ccccc1CNC(=O)CCC[NH+]1CCCCC1 ZINC001570028257 1085878249 /nfs/dbraw/zinc/87/82/49/1085878249.db2.gz OVBWMPOYWQJWOV-UHFFFAOYSA-N 2 1 341.499 2.634 10 30 EFEEMP CC#CC[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001570028187 1085879164 /nfs/dbraw/zinc/87/91/64/1085879164.db2.gz MQQHVVJGJPVDIL-ROUUACIJSA-N 2 1 341.499 2.631 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001570185668 1086033366 /nfs/dbraw/zinc/03/33/66/1086033366.db2.gz PLGOKOPBAOEMNG-SFHVURJKSA-N 2 1 332.492 2.909 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001570185668 1086033374 /nfs/dbraw/zinc/03/33/74/1086033374.db2.gz PLGOKOPBAOEMNG-SFHVURJKSA-N 2 1 332.492 2.909 10 30 EFEEMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001570188038 1086036015 /nfs/dbraw/zinc/03/60/15/1086036015.db2.gz SUVLDPZZMHDYQH-OALUTQOASA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001570188038 1086036023 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ZINC001570269116 1086104348 /nfs/dbraw/zinc/10/43/48/1086104348.db2.gz OGHXOVRGNIJUJM-LJQANCHMSA-N 2 1 343.515 2.693 10 30 EFEEMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001570273942 1086114119 /nfs/dbraw/zinc/11/41/19/1086114119.db2.gz ZGCWWORAFJKYPQ-HXUWFJFHSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[N@H+](C)CC)C2 ZINC001570274591 1086115561 /nfs/dbraw/zinc/11/55/61/1086115561.db2.gz HBPUSJSPNYJEON-QUCCMNQESA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)CC)C2 ZINC001570274591 1086115565 /nfs/dbraw/zinc/11/55/65/1086115565.db2.gz HBPUSJSPNYJEON-QUCCMNQESA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)CC)C2 ZINC001570274591 1086115574 /nfs/dbraw/zinc/11/55/74/1086115574.db2.gz HBPUSJSPNYJEON-QUCCMNQESA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001570446344 1086248052 /nfs/dbraw/zinc/24/80/52/1086248052.db2.gz WRMWRFFQKXKPKF-FUHWJXTLSA-N 2 1 332.492 2.907 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001570446344 1086248057 /nfs/dbraw/zinc/24/80/57/1086248057.db2.gz WRMWRFFQKXKPKF-FUHWJXTLSA-N 2 1 332.492 2.907 10 30 EFEEMP C#CCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001570501135 1086286979 /nfs/dbraw/zinc/28/69/79/1086286979.db2.gz CPVQFJPBKUUEEM-PMACEKPBSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CCC[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001570501135 1086286984 /nfs/dbraw/zinc/28/69/84/1086286984.db2.gz CPVQFJPBKUUEEM-PMACEKPBSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CCC[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001570501135 1086286990 /nfs/dbraw/zinc/28/69/90/1086286990.db2.gz CPVQFJPBKUUEEM-PMACEKPBSA-N 2 1 345.531 2.587 10 30 EFEEMP C=CC[N@H+](CC)CC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001570504870 1086293015 /nfs/dbraw/zinc/29/30/15/1086293015.db2.gz 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C=CCCCCC[NH+]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001570908020 1086607093 /nfs/dbraw/zinc/60/70/93/1086607093.db2.gz SYQSVJRQNRIKCQ-ROUUACIJSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCCCCC[N@H+]1C[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001570908020 1086607096 /nfs/dbraw/zinc/60/70/96/1086607096.db2.gz SYQSVJRQNRIKCQ-ROUUACIJSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCCCCC[N@@H+]1C[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001570908020 1086607103 /nfs/dbraw/zinc/60/71/03/1086607103.db2.gz SYQSVJRQNRIKCQ-ROUUACIJSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)CCC[NH+](C)C)C[C@@]2(C)C1 ZINC001571063691 1086657831 /nfs/dbraw/zinc/65/78/31/1086657831.db2.gz DJMGSTKJAFLIMF-RLLQIKCJSA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001571147771 1086670568 /nfs/dbraw/zinc/67/05/68/1086670568.db2.gz DLJBPMRAUPRDPI-LNLFQRSKSA-N 2 1 333.520 2.844 10 30 EFEEMP C=C(C)C[NH2+]CCCN(Cc1ccccc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001571337545 1086736921 /nfs/dbraw/zinc/73/69/21/1086736921.db2.gz MACWAKBDLGERPS-IBGZPJMESA-N 2 1 329.488 2.523 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CCCC(C)(C)C)C1CC1 ZINC001571362515 1086757977 /nfs/dbraw/zinc/75/79/77/1086757977.db2.gz LBVLLSHMPSQOBW-OALUTQOASA-N 2 1 347.547 2.737 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CCCC(C)(C)C)C1CC1 ZINC001571362515 1086757980 /nfs/dbraw/zinc/75/79/80/1086757980.db2.gz LBVLLSHMPSQOBW-OALUTQOASA-N 2 1 347.547 2.737 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CCCC(C)(C)C)C1CC1 ZINC001571362516 1086757994 /nfs/dbraw/zinc/75/79/94/1086757994.db2.gz LBVLLSHMPSQOBW-RBUKOAKNSA-N 2 1 347.547 2.737 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CCCC(C)(C)C)C1CC1 ZINC001571362516 1086757998 /nfs/dbraw/zinc/75/79/98/1086757998.db2.gz LBVLLSHMPSQOBW-RBUKOAKNSA-N 2 1 347.547 2.737 10 30 EFEEMP C=C(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001571549631 1086953710 /nfs/dbraw/zinc/95/37/10/1086953710.db2.gz FCXTUGKVDUVSQV-RTBURBONSA-N 2 1 329.488 2.569 10 30 EFEEMP C=C(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001571549631 1086953715 /nfs/dbraw/zinc/95/37/15/1086953715.db2.gz FCXTUGKVDUVSQV-RTBURBONSA-N 2 1 329.488 2.569 10 30 EFEEMP CC(C)N(CC[N@H+](C)CC#Cc1ccccc1)C(=O)CCC[NH+](C)C ZINC001571614850 1086989271 /nfs/dbraw/zinc/98/92/71/1086989271.db2.gz VXRQYCVMZIZALJ-UHFFFAOYSA-N 2 1 343.515 2.549 10 30 EFEEMP CC(C)N(CC[N@@H+](C)CC#Cc1ccccc1)C(=O)CCC[NH+](C)C ZINC001571614850 1086989272 /nfs/dbraw/zinc/98/92/72/1086989272.db2.gz VXRQYCVMZIZALJ-UHFFFAOYSA-N 2 1 343.515 2.549 10 30 EFEEMP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)c(F)c1 ZINC001571702271 1087075750 /nfs/dbraw/zinc/07/57/50/1087075750.db2.gz NQSRCABETYZKIC-SFHVURJKSA-N 2 1 333.451 2.592 10 30 EFEEMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2CCC)c(F)c1 ZINC001571703213 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JWKWHZXTMKQTIL-UXHICEINSA-N 2 1 341.499 2.638 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001267180942 1093100719 /nfs/dbraw/zinc/10/07/19/1093100719.db2.gz DRUUBWAYRHKMAE-IAGOWNOFSA-N 2 1 341.927 2.974 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001267180942 1093100723 /nfs/dbraw/zinc/10/07/23/1093100723.db2.gz DRUUBWAYRHKMAE-IAGOWNOFSA-N 2 1 341.927 2.974 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001267180942 1093100724 /nfs/dbraw/zinc/10/07/24/1093100724.db2.gz DRUUBWAYRHKMAE-IAGOWNOFSA-N 2 1 341.927 2.974 10 30 EFEEMP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H](c1ccccc1)N(C)C ZINC001267180807 1093101120 /nfs/dbraw/zinc/10/11/20/1093101120.db2.gz CEPZWNJGHGPBRF-WOJBJXKFSA-N 2 1 341.499 2.673 10 30 EFEEMP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001267180807 1093101128 /nfs/dbraw/zinc/10/11/28/1093101128.db2.gz CEPZWNJGHGPBRF-WOJBJXKFSA-N 2 1 341.499 2.673 10 30 EFEEMP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001267180807 1093101131 /nfs/dbraw/zinc/10/11/31/1093101131.db2.gz CEPZWNJGHGPBRF-WOJBJXKFSA-N 2 1 341.499 2.673 10 30 EFEEMP C=CCC[N@H+](CCCNC(=O)[C@H]1CCc2cnc(C)n2C1)C(C)C ZINC001267313791 1093555452 /nfs/dbraw/zinc/55/54/52/1093555452.db2.gz XLZLZHKGGUNWDD-KRWDZBQOSA-N 2 1 332.492 2.547 10 30 EFEEMP C=CCC[N@@H+](CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001267313791 1093555455 /nfs/dbraw/zinc/55/54/55/1093555455.db2.gz XLZLZHKGGUNWDD-KRWDZBQOSA-N 2 1 332.492 2.547 10 30 EFEEMP C=CCC[N@H+](CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001267313791 1093555462 /nfs/dbraw/zinc/55/54/62/1093555462.db2.gz XLZLZHKGGUNWDD-KRWDZBQOSA-N 2 1 332.492 2.547 10 30 EFEEMP C=C(C)CC[N@@H+](CCNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001267328207 1093590405 /nfs/dbraw/zinc/59/04/05/1093590405.db2.gz NOYDHARZOSDVJT-UHFFFAOYSA-N 2 1 326.444 2.803 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CCC)CC1CCCCCC1 ZINC001481138231 1094925458 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EFEEMP C#CCC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)C(C)C ZINC001267501110 1095053251 /nfs/dbraw/zinc/05/32/51/1095053251.db2.gz IYDSKOWOBUYOCK-LJQANCHMSA-N 2 1 347.547 2.881 10 30 EFEEMP C#CCC[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001267501110 1095053267 /nfs/dbraw/zinc/05/32/67/1095053267.db2.gz IYDSKOWOBUYOCK-LJQANCHMSA-N 2 1 347.547 2.881 10 30 EFEEMP C#CCC[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC001267501110 1095053283 /nfs/dbraw/zinc/05/32/83/1095053283.db2.gz IYDSKOWOBUYOCK-LJQANCHMSA-N 2 1 347.547 2.881 10 30 EFEEMP C=C(C)C[N@@H+](C)CC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001481516019 1095054540 /nfs/dbraw/zinc/05/45/40/1095054540.db2.gz KCCYJMXOMXTTGK-UHFFFAOYSA-N 2 1 333.520 2.609 10 30 EFEEMP C=CC[N@H+](C)CC1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001481516412 1095062697 /nfs/dbraw/zinc/06/26/97/1095062697.db2.gz DBEMUVWYIOPQNK-UHFFFAOYSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001481518879 1095069525 /nfs/dbraw/zinc/06/95/25/1095069525.db2.gz LKYGZLXPGUKPIO-IBGZPJMESA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001481518879 1095069540 /nfs/dbraw/zinc/06/95/40/1095069540.db2.gz LKYGZLXPGUKPIO-IBGZPJMESA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001481518879 1095069555 /nfs/dbraw/zinc/06/95/55/1095069555.db2.gz LKYGZLXPGUKPIO-IBGZPJMESA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001268091405 1095280579 /nfs/dbraw/zinc/28/05/79/1095280579.db2.gz CVAVATOZTNNWGN-HOTGVXAUSA-N 2 1 341.459 2.672 10 30 EFEEMP C=CCCCCC[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001267648669 1095307963 /nfs/dbraw/zinc/30/79/63/1095307963.db2.gz MPKYFQAGKSRYFP-IBGZPJMESA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCCCCC[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001267648669 1095307974 /nfs/dbraw/zinc/30/79/74/1095307974.db2.gz MPKYFQAGKSRYFP-IBGZPJMESA-N 2 1 333.520 2.940 10 30 EFEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001267652829 1095329778 /nfs/dbraw/zinc/32/97/78/1095329778.db2.gz FKNIYVUNVAVCDZ-SFHVURJKSA-N 2 1 335.536 2.997 10 30 EFEEMP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001268106182 1095368077 /nfs/dbraw/zinc/36/80/77/1095368077.db2.gz RVDMFTLXRVFBST-RTBURBONSA-N 2 1 347.547 2.785 10 30 EFEEMP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001267682808 1095441880 /nfs/dbraw/zinc/44/18/80/1095441880.db2.gz IAEMUTDVKRWARQ-QZTJIDSGSA-N 2 1 344.503 2.500 10 30 EFEEMP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001267682808 1095441888 /nfs/dbraw/zinc/44/18/88/1095441888.db2.gz IAEMUTDVKRWARQ-QZTJIDSGSA-N 2 1 344.503 2.500 10 30 EFEEMP CC#CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001267562692 1095563087 /nfs/dbraw/zinc/56/30/87/1095563087.db2.gz MIWNTNDEFFOEED-ICSRJNTNSA-N 2 1 345.531 2.635 10 30 EFEEMP CC#CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001267562692 1095563099 /nfs/dbraw/zinc/56/30/99/1095563099.db2.gz MIWNTNDEFFOEED-ICSRJNTNSA-N 2 1 345.531 2.635 10 30 EFEEMP CC#CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001267562692 1095563108 /nfs/dbraw/zinc/56/31/08/1095563108.db2.gz MIWNTNDEFFOEED-ICSRJNTNSA-N 2 1 345.531 2.635 10 30 EFEEMP C=CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001268160816 1095591389 /nfs/dbraw/zinc/59/13/89/1095591389.db2.gz BDPNRKGTQYYPOX-MSOLQXFVSA-N 2 1 344.503 2.691 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001267730536 1095732895 /nfs/dbraw/zinc/73/28/95/1095732895.db2.gz YRBJKEYZUUYDPK-YQVWRLOYSA-N 2 1 335.536 2.852 10 30 EFEEMP C=CCC[C@H](C)[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001267730536 1095732909 /nfs/dbraw/zinc/73/29/09/1095732909.db2.gz YRBJKEYZUUYDPK-YQVWRLOYSA-N 2 1 335.536 2.852 10 30 EFEEMP C=CCC[C@H](C)[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001267730536 1095732922 /nfs/dbraw/zinc/73/29/22/1095732922.db2.gz YRBJKEYZUUYDPK-YQVWRLOYSA-N 2 1 335.536 2.852 10 30 EFEEMP C=CCC[N@H+](C)CC1CCN(C(=O)Cc2cn3c(n2)CCCC3)CC1 ZINC001267730119 1095734175 /nfs/dbraw/zinc/73/41/75/1095734175.db2.gz NUDFSRVJBLZAMK-UHFFFAOYSA-N 2 1 344.503 2.508 10 30 EFEEMP C=C(C)C[N@@H+](C)CC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001267730091 1095734811 /nfs/dbraw/zinc/73/48/11/1095734811.db2.gz NGICUPJEDZKUQN-UHFFFAOYSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001267589104 1096017233 /nfs/dbraw/zinc/01/72/33/1096017233.db2.gz LIVJALCADDSLFM-OALUTQOASA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001267589104 1096017243 /nfs/dbraw/zinc/01/72/43/1096017243.db2.gz LIVJALCADDSLFM-OALUTQOASA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001267589104 1096017253 /nfs/dbraw/zinc/01/72/53/1096017253.db2.gz LIVJALCADDSLFM-OALUTQOASA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001268182221 1096039603 /nfs/dbraw/zinc/03/96/03/1096039603.db2.gz ZUWNZTKYZMKHKJ-IAGOWNOFSA-N 2 1 332.492 2.799 10 30 EFEEMP C#CC[N@H+](C)CCC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001268208058 1096103885 /nfs/dbraw/zinc/10/38/85/1096103885.db2.gz ZMSVOAATTMFSDL-HXUWFJFHSA-N 2 1 347.547 2.691 10 30 EFEEMP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001267596301 1096120067 /nfs/dbraw/zinc/12/00/67/1096120067.db2.gz LZXUYQJMVDSEMV-PKOBYXMFSA-N 2 1 329.488 2.646 10 30 EFEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001267596301 1096120070 /nfs/dbraw/zinc/12/00/70/1096120070.db2.gz LZXUYQJMVDSEMV-PKOBYXMFSA-N 2 1 329.488 2.646 10 30 EFEEMP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001267596301 1096120074 /nfs/dbraw/zinc/12/00/74/1096120074.db2.gz LZXUYQJMVDSEMV-PKOBYXMFSA-N 2 1 329.488 2.646 10 30 EFEEMP CC[C@@H](C(=O)N(C)CC[N@H+](C)CC#Cc1ccccc1)[NH+](CC)CC ZINC001268249276 1096175680 /nfs/dbraw/zinc/17/56/80/1096175680.db2.gz QILLYENCRSABIE-FQEVSTJZSA-N 2 1 343.515 2.549 10 30 EFEEMP CC[C@@H](C(=O)N(C)CC[N@@H+](C)CC#Cc1ccccc1)[NH+](CC)CC ZINC001268249276 1096175683 /nfs/dbraw/zinc/17/56/83/1096175683.db2.gz QILLYENCRSABIE-FQEVSTJZSA-N 2 1 343.515 2.549 10 30 EFEEMP C=CCCCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001481725749 1096416203 /nfs/dbraw/zinc/41/62/03/1096416203.db2.gz ALFMVIJFFVDRGD-CEXWTWQISA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001481725749 1096416206 /nfs/dbraw/zinc/41/62/06/1096416206.db2.gz ALFMVIJFFVDRGD-CEXWTWQISA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001481725749 1096416209 /nfs/dbraw/zinc/41/62/09/1096416209.db2.gz ALFMVIJFFVDRGD-CEXWTWQISA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001481747820 1096513545 /nfs/dbraw/zinc/51/35/45/1096513545.db2.gz TVOFKLXSQXKHEB-LJQANCHMSA-N 2 1 333.520 2.607 10 30 EFEEMP C=C(C)CC[NH2+][C@H](CC)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001481850320 1096794467 /nfs/dbraw/zinc/79/44/67/1096794467.db2.gz KUYLBPSMPPLFDJ-CRAIPNDOSA-N 2 1 327.488 2.650 10 30 EFEEMP CC#CC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCCC1 ZINC001481897011 1096888174 /nfs/dbraw/zinc/88/81/74/1096888174.db2.gz KYBJOKZCRMSNBS-SFHVURJKSA-N 2 1 345.531 2.683 10 30 EFEEMP C#CCC[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001481931265 1096950250 /nfs/dbraw/zinc/95/02/50/1096950250.db2.gz MPYXYNKMVJUYKL-UWJYYQICSA-N 2 1 345.531 2.539 10 30 EFEEMP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001481981381 1097035806 /nfs/dbraw/zinc/03/58/06/1097035806.db2.gz PBFHIKSLDCGWTP-SFHVURJKSA-N 2 1 347.547 2.881 10 30 EFEEMP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001482032521 1097124889 /nfs/dbraw/zinc/12/48/89/1097124889.db2.gz YFXPRNKCRAXKOZ-IBGZPJMESA-N 2 1 329.488 2.843 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCC2(C1)CCN(C(=O)CC[N@H+](C)CC)CC2 ZINC001482072449 1097226418 /nfs/dbraw/zinc/22/64/18/1097226418.db2.gz ZZWSSYFETGRLCV-SFHVURJKSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)CC)CC2 ZINC001482072449 1097226422 /nfs/dbraw/zinc/22/64/22/1097226422.db2.gz ZZWSSYFETGRLCV-SFHVURJKSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)CC)CC2 ZINC001482072449 1097226425 /nfs/dbraw/zinc/22/64/25/1097226425.db2.gz ZZWSSYFETGRLCV-SFHVURJKSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001269255634 1097989718 /nfs/dbraw/zinc/98/97/18/1097989718.db2.gz RMDJGZHOJOOBGK-GOSISDBHSA-N 2 1 333.520 2.799 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001269255635 1097990284 /nfs/dbraw/zinc/99/02/84/1097990284.db2.gz RMDJGZHOJOOBGK-SFHVURJKSA-N 2 1 333.520 2.799 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001269291793 1098025916 /nfs/dbraw/zinc/02/59/16/1098025916.db2.gz IIFCMQDZBLZOEO-ICSRJNTNSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCCCC[NH+]1CC[C@H](N(C)C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001269291793 1098025922 /nfs/dbraw/zinc/02/59/22/1098025922.db2.gz IIFCMQDZBLZOEO-ICSRJNTNSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCCCC[NH+]1CC[C@H](N(C)C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001269291793 1098025929 /nfs/dbraw/zinc/02/59/29/1098025929.db2.gz IIFCMQDZBLZOEO-ICSRJNTNSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC001269601877 1098282148 /nfs/dbraw/zinc/28/21/48/1098282148.db2.gz PJBGQSUBKOFWFM-MOPGFXCFSA-N 2 1 345.531 2.894 10 30 EFEEMP CC#CC[N@@H+](CCNC(=O)[C@@]12CC[NH+](C1)CCC2)C1CCCCCC1 ZINC001269616004 1098294445 /nfs/dbraw/zinc/29/44/45/1098294445.db2.gz GBMYFBBAEBAFLX-NRFANRHFSA-N 2 1 345.531 2.637 10 30 EFEEMP CC#CC[NH+](CCNC(=O)[C@@]12CC[N@H+](C1)CCC2)C1CCCCCC1 ZINC001269616004 1098294448 /nfs/dbraw/zinc/29/44/48/1098294448.db2.gz GBMYFBBAEBAFLX-NRFANRHFSA-N 2 1 345.531 2.637 10 30 EFEEMP CC#CC[NH+](CCNC(=O)[C@@]12CC[N@@H+](C1)CCC2)C1CCCCCC1 ZINC001269616004 1098294452 /nfs/dbraw/zinc/29/44/52/1098294452.db2.gz GBMYFBBAEBAFLX-NRFANRHFSA-N 2 1 345.531 2.637 10 30 EFEEMP CC#CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CCCCCC1 ZINC001269611854 1098296504 /nfs/dbraw/zinc/29/65/04/1098296504.db2.gz SZNROJDBCSPONJ-OALUTQOASA-N 2 1 347.547 2.881 10 30 EFEEMP CC#CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCCCC1 ZINC001269611854 1098296510 /nfs/dbraw/zinc/29/65/10/1098296510.db2.gz SZNROJDBCSPONJ-OALUTQOASA-N 2 1 347.547 2.881 10 30 EFEEMP CC#CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCCCC1 ZINC001269611854 1098296515 /nfs/dbraw/zinc/29/65/15/1098296515.db2.gz SZNROJDBCSPONJ-OALUTQOASA-N 2 1 347.547 2.881 10 30 EFEEMP C=CCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001269693133 1098373332 /nfs/dbraw/zinc/37/33/32/1098373332.db2.gz RATPPFJSEULJQS-QWFCFKBJSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001269693133 1098373337 /nfs/dbraw/zinc/37/33/37/1098373337.db2.gz RATPPFJSEULJQS-QWFCFKBJSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001269693133 1098373341 /nfs/dbraw/zinc/37/33/41/1098373341.db2.gz RATPPFJSEULJQS-QWFCFKBJSA-N 2 1 333.520 2.607 10 30 EFEEMP C=C(C)CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001269761349 1098428956 /nfs/dbraw/zinc/42/89/56/1098428956.db2.gz ZFPOSUFKWOJMEG-OTWHNJEPSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)cc1 ZINC001270075602 1098664720 /nfs/dbraw/zinc/66/47/20/1098664720.db2.gz HWIWQABPPPWFEZ-VQTJNVASSA-N 2 1 341.499 2.985 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001270118382 1098714594 /nfs/dbraw/zinc/71/45/94/1098714594.db2.gz NSLGKKSFTNXLQR-ICSRJNTNSA-N 2 1 345.531 2.657 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001270118382 1098714603 /nfs/dbraw/zinc/71/46/03/1098714603.db2.gz NSLGKKSFTNXLQR-ICSRJNTNSA-N 2 1 345.531 2.657 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001267750365 1098777406 /nfs/dbraw/zinc/77/74/06/1098777406.db2.gz BKZBFOGQEQHGQH-RTBURBONSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001267750365 1098777415 /nfs/dbraw/zinc/77/74/15/1098777415.db2.gz BKZBFOGQEQHGQH-RTBURBONSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001267750365 1098777425 /nfs/dbraw/zinc/77/74/25/1098777425.db2.gz BKZBFOGQEQHGQH-RTBURBONSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001267750365 1098777434 /nfs/dbraw/zinc/77/74/34/1098777434.db2.gz BKZBFOGQEQHGQH-RTBURBONSA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(C)C[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001267944535 1098780850 /nfs/dbraw/zinc/78/08/50/1098780850.db2.gz BQMUGMWYONHIAU-IBGZPJMESA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001270254152 1098867673 /nfs/dbraw/zinc/86/76/73/1098867673.db2.gz CZLSUBWZVYHMIN-RTBURBONSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)C1)CC2 ZINC001267975542 1099046059 /nfs/dbraw/zinc/04/60/59/1099046059.db2.gz ZTZFVOBOUYRGLJ-MSOLQXFVSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)C1)CC2 ZINC001267975542 1099046070 /nfs/dbraw/zinc/04/60/70/1099046070.db2.gz ZTZFVOBOUYRGLJ-MSOLQXFVSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)CC2 ZINC001267975542 1099046082 /nfs/dbraw/zinc/04/60/82/1099046082.db2.gz ZTZFVOBOUYRGLJ-MSOLQXFVSA-N 2 1 333.520 2.607 10 30 EFEEMP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001270511547 1099158793 /nfs/dbraw/zinc/15/87/93/1099158793.db2.gz BPIXOPAGJHYWJX-OAQYLSRUSA-N 2 1 345.531 2.590 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001267789288 1099246725 /nfs/dbraw/zinc/24/67/25/1099246725.db2.gz CZCVQYGVWPNUGH-QZTJIDSGSA-N 2 1 344.503 2.643 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001267789288 1099246741 /nfs/dbraw/zinc/24/67/41/1099246741.db2.gz CZCVQYGVWPNUGH-QZTJIDSGSA-N 2 1 344.503 2.643 10 30 EFEEMP C=CCC[C@@H](C)[NH2+]C[C@]1(C)CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001270751449 1099527264 /nfs/dbraw/zinc/52/72/64/1099527264.db2.gz BZWMUJIIKRSDRS-BEFAXECRSA-N 2 1 348.491 2.533 10 30 EFEEMP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CCCC1 ZINC001270784791 1099560998 /nfs/dbraw/zinc/56/09/98/1099560998.db2.gz DYDLXFHSBLRSJW-SFHVURJKSA-N 2 1 333.520 2.988 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001481399923 1099620464 /nfs/dbraw/zinc/62/04/64/1099620464.db2.gz ODHRGTATBKFQHZ-GBESFXJTSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001481399923 1099620471 /nfs/dbraw/zinc/62/04/71/1099620471.db2.gz ODHRGTATBKFQHZ-GBESFXJTSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001481399923 1099620473 /nfs/dbraw/zinc/62/04/73/1099620473.db2.gz ODHRGTATBKFQHZ-GBESFXJTSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CCCC1 ZINC001270826470 1099667393 /nfs/dbraw/zinc/66/73/93/1099667393.db2.gz PPMVXLRRYZMOOV-GOSISDBHSA-N 2 1 329.488 2.884 10 30 EFEEMP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[C@@H]3CCCC[N@H+]31)CC2 ZINC001270851194 1099719155 /nfs/dbraw/zinc/71/91/55/1099719155.db2.gz JCHMDAKCBVFTOB-OALUTQOASA-N 2 1 345.531 2.894 10 30 EFEEMP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1CC)CC2 ZINC001270869790 1099918949 /nfs/dbraw/zinc/91/89/49/1099918949.db2.gz DQUVXLWLFJEPIG-GOSISDBHSA-N 2 1 333.520 2.751 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CC(C)(C)C1)CC(C)C ZINC001482387336 1099973948 /nfs/dbraw/zinc/97/39/48/1099973948.db2.gz MJGRRFVLACEENC-MOPGFXCFSA-N 2 1 347.547 2.641 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CC(C)(C)C1)CC(C)C ZINC001482387336 1099973959 /nfs/dbraw/zinc/97/39/59/1099973959.db2.gz MJGRRFVLACEENC-MOPGFXCFSA-N 2 1 347.547 2.641 10 30 EFEEMP C=CCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001270906395 1100220657 /nfs/dbraw/zinc/22/06/57/1100220657.db2.gz JSKGTJLQRNBSQJ-KRWDZBQOSA-N 2 1 344.503 2.548 10 30 EFEEMP C=C(C[NH+](C)C)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001632591367 1100486377 /nfs/dbraw/zinc/48/63/77/1100486377.db2.gz HEXLBYLAGBARCF-HSALFYBXSA-N 2 1 341.499 2.521 10 30 EFEEMP C=CCCC[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001671163088 1100616320 /nfs/dbraw/zinc/61/63/20/1100616320.db2.gz WXQROVNEVPFIKT-LJQANCHMSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001671163088 1100616324 /nfs/dbraw/zinc/61/63/24/1100616324.db2.gz WXQROVNEVPFIKT-LJQANCHMSA-N 2 1 333.520 2.892 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001266593802 1101320067 /nfs/dbraw/zinc/32/00/67/1101320067.db2.gz XHUXDPMXNPUGOB-BZSNNMDCSA-N 2 1 333.520 2.844 10 30 EFEEMP C#CCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1CC ZINC001670581133 1101358224 /nfs/dbraw/zinc/35/82/24/1101358224.db2.gz DPTOVTQCOISSNL-ICSRJNTNSA-N 2 1 347.547 2.881 10 30 EFEEMP C#CC[NH2+]C[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C1CCCCC1 ZINC001271335367 1101401314 /nfs/dbraw/zinc/40/13/14/1101401314.db2.gz SPMUVKVVLRJFCC-SJLPKXTDSA-N 2 1 344.503 2.685 10 30 EFEEMP C#CC[NH2+]C[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C1CCCCC1 ZINC001271335368 1101402052 /nfs/dbraw/zinc/40/20/52/1101402052.db2.gz SPMUVKVVLRJFCC-WMZOPIPTSA-N 2 1 344.503 2.685 10 30 EFEEMP C=C(C)C[NH2+]C[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)C1CCCCC1 ZINC001271342479 1101413405 /nfs/dbraw/zinc/41/34/05/1101413405.db2.gz ZQAYPLQPRZBVQF-GOSISDBHSA-N 2 1 348.491 2.581 10 30 EFEEMP C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001482483717 1101486679 /nfs/dbraw/zinc/48/66/79/1101486679.db2.gz WINPZCBGGLTSNJ-AZUAARDMSA-N 2 1 343.515 2.564 10 30 EFEEMP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001271439586 1101705239 /nfs/dbraw/zinc/70/52/39/1101705239.db2.gz SWARADFNEJKXNL-IBGZPJMESA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001266371158 1101763967 /nfs/dbraw/zinc/76/39/67/1101763967.db2.gz TUZBTWZHLUVMTI-MSOLQXFVSA-N 2 1 333.520 2.796 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1cc(C)ccc1C ZINC001266728757 1102037493 /nfs/dbraw/zinc/03/74/93/1102037493.db2.gz KJUPANSFKTWGLW-QUCCMNQESA-N 2 1 341.499 2.510 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1cc(C)ccc1C ZINC001266728757 1102037505 /nfs/dbraw/zinc/03/75/05/1102037505.db2.gz KJUPANSFKTWGLW-QUCCMNQESA-N 2 1 341.499 2.510 10 30 EFEEMP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001271534954 1102079653 /nfs/dbraw/zinc/07/96/53/1102079653.db2.gz RIMWLEGKFSWZEP-UYAOXDASSA-N 2 1 345.531 2.635 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001656673855 1102168875 /nfs/dbraw/zinc/16/88/75/1102168875.db2.gz ZGJPEIVIKOWLNV-RTBURBONSA-N 2 1 347.478 2.628 10 30 EFEEMP CC#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H]1CC ZINC001656728066 1102185390 /nfs/dbraw/zinc/18/53/90/1102185390.db2.gz XATWFGIYOBLYFU-RBUKOAKNSA-N 2 1 333.520 2.633 10 30 EFEEMP CC#CC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@H]1CC ZINC001656728066 1102185401 /nfs/dbraw/zinc/18/54/01/1102185401.db2.gz XATWFGIYOBLYFU-RBUKOAKNSA-N 2 1 333.520 2.633 10 30 EFEEMP CC#CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@H]1CC ZINC001656728066 1102185408 /nfs/dbraw/zinc/18/54/08/1102185408.db2.gz XATWFGIYOBLYFU-RBUKOAKNSA-N 2 1 333.520 2.633 10 30 EFEEMP C#CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001266805323 1102283368 /nfs/dbraw/zinc/28/33/68/1102283368.db2.gz ZMQSTLGGVGRLJY-QUCCMNQESA-N 2 1 345.531 2.635 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001266807054 1102288962 /nfs/dbraw/zinc/28/89/62/1102288962.db2.gz BWRLAJVYBOVNGM-MSOLQXFVSA-N 2 1 344.503 2.548 10 30 EFEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001657105764 1102335171 /nfs/dbraw/zinc/33/51/71/1102335171.db2.gz CDAGSQMTVSODRV-MOPGFXCFSA-N 2 1 347.547 2.737 10 30 EFEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001657105767 1102335601 /nfs/dbraw/zinc/33/56/01/1102335601.db2.gz CDAGSQMTVSODRV-RTBURBONSA-N 2 1 347.547 2.737 10 30 EFEEMP C=CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCn3c(C)ncc3C2)CC1 ZINC001482506928 1102439557 /nfs/dbraw/zinc/43/95/57/1102439557.db2.gz NEZHUOQECINXTN-SFHVURJKSA-N 2 1 344.503 2.500 10 30 EFEEMP C=CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001482506928 1102439559 /nfs/dbraw/zinc/43/95/59/1102439559.db2.gz NEZHUOQECINXTN-SFHVURJKSA-N 2 1 344.503 2.500 10 30 EFEEMP C=CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001482506928 1102439562 /nfs/dbraw/zinc/43/95/62/1102439562.db2.gz NEZHUOQECINXTN-SFHVURJKSA-N 2 1 344.503 2.500 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001266519983 1102490795 /nfs/dbraw/zinc/49/07/95/1102490795.db2.gz COMKCLVOCOXKGB-ZWKOTPCHSA-N 2 1 333.520 2.655 10 30 EFEEMP C=CC[N@H+](CC1CC[NH+](C)CC1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001658867199 1102493271 /nfs/dbraw/zinc/49/32/71/1102493271.db2.gz SHQUZZUHXDVRFU-FQEVSTJZSA-N 2 1 344.499 2.991 10 30 EFEEMP C=CC[N@@H+](CC1CC[NH+](C)CC1)[C@@H](Cc1ccccc1)C(=O)OCC 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EFEEMP CC#CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001671839654 1105711506 /nfs/dbraw/zinc/71/15/06/1105711506.db2.gz PWFDDRYYWPHWQM-IBGZPJMESA-N 2 1 345.531 2.635 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001671886988 1105721386 /nfs/dbraw/zinc/72/13/86/1105721386.db2.gz FREKBZVTJSZLNN-UYAOXDASSA-N 2 1 333.520 2.513 10 30 EFEEMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001671891949 1105723311 /nfs/dbraw/zinc/72/33/11/1105723311.db2.gz IVYSBHZDVIQVNW-NRFANRHFSA-N 2 1 347.547 2.881 10 30 EFEEMP CC#CC[NH+]1CCC[C@@](C)(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001671891949 1105723312 /nfs/dbraw/zinc/72/33/12/1105723312.db2.gz IVYSBHZDVIQVNW-NRFANRHFSA-N 2 1 347.547 2.881 10 30 EFEEMP CC#CC[NH+]1CCC[C@@](C)(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001671891949 1105723316 /nfs/dbraw/zinc/72/33/16/1105723316.db2.gz IVYSBHZDVIQVNW-NRFANRHFSA-N 2 1 347.547 2.881 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CCC[C@@](C)(CNC(=O)Cc2[nH]cnc2C)C1 ZINC001671916406 1105729976 /nfs/dbraw/zinc/72/99/76/1105729976.db2.gz KYMJXTRRPZHFOD-KXBFYZLASA-N 2 1 332.492 2.834 10 30 EFEEMP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001672246030 1105784038 /nfs/dbraw/zinc/78/40/38/1105784038.db2.gz DNBVFQKALYQKLA-HKUYNNGSSA-N 2 1 329.488 2.521 10 30 EFEEMP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001672246030 1105784043 /nfs/dbraw/zinc/78/40/43/1105784043.db2.gz DNBVFQKALYQKLA-HKUYNNGSSA-N 2 1 329.488 2.521 10 30 EFEEMP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001672246035 1105784464 /nfs/dbraw/zinc/78/44/64/1105784464.db2.gz DNBVFQKALYQKLA-PKOBYXMFSA-N 2 1 329.488 2.521 10 30 EFEEMP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001672246035 1105784467 /nfs/dbraw/zinc/78/44/67/1105784467.db2.gz DNBVFQKALYQKLA-PKOBYXMFSA-N 2 1 329.488 2.521 10 30 EFEEMP C=CCCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001672315523 1105799111 /nfs/dbraw/zinc/79/91/11/1105799111.db2.gz NGZMUDMYYGGXEX-SJORKVTESA-N 2 1 332.492 2.657 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001672368779 1105814693 /nfs/dbraw/zinc/81/46/93/1105814693.db2.gz HRFLNGKCVIOHFR-GUDVDZBRSA-N 2 1 335.536 2.949 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]2C1 ZINC001672416150 1105827673 /nfs/dbraw/zinc/82/76/73/1105827673.db2.gz CRALWFHIIYVQMF-GBESFXJTSA-N 2 1 347.547 2.996 10 30 EFEEMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001672531009 1105859348 /nfs/dbraw/zinc/85/93/48/1105859348.db2.gz PEPBVDVCACDXGX-QZTJIDSGSA-N 2 1 333.520 2.750 10 30 EFEEMP CCCCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001672538163 1105864215 /nfs/dbraw/zinc/86/42/15/1105864215.db2.gz NPAGNOUFSHKCTK-GBESFXJTSA-N 2 1 335.536 2.974 10 30 EFEEMP CCCCCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001672538163 1105864224 /nfs/dbraw/zinc/86/42/24/1105864224.db2.gz NPAGNOUFSHKCTK-GBESFXJTSA-N 2 1 335.536 2.974 10 30 EFEEMP CCCCCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001672538163 1105864230 /nfs/dbraw/zinc/86/42/30/1105864230.db2.gz NPAGNOUFSHKCTK-GBESFXJTSA-N 2 1 335.536 2.974 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001672538598 1105866538 /nfs/dbraw/zinc/86/65/38/1105866538.db2.gz SZYDVQNUJSGFRH-OALUTQOASA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001673009162 1105958871 /nfs/dbraw/zinc/95/88/71/1105958871.db2.gz RDJNOQIFXGEGJH-GBESFXJTSA-N 2 1 347.547 2.996 10 30 EFEEMP C=CCC[N@@H+]1CCc2c(CNC(=O)[C@@H](CC)[NH+](C)C)cccc2C1 ZINC001673079577 1105970553 /nfs/dbraw/zinc/97/05/53/1105970553.db2.gz GJYULUVPSNWHOI-LJQANCHMSA-N 2 1 329.488 2.577 10 30 EFEEMP C=CCC[N@H+]1CCC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001673380504 1106011254 /nfs/dbraw/zinc/01/12/54/1106011254.db2.gz LSWOSPBNQVALKP-IRXDYDNUSA-N 2 1 332.492 2.943 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001673380504 1106011259 /nfs/dbraw/zinc/01/12/59/1106011259.db2.gz LSWOSPBNQVALKP-IRXDYDNUSA-N 2 1 332.492 2.943 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001673496138 1106034092 /nfs/dbraw/zinc/03/40/92/1106034092.db2.gz HMPBSMNBXHFNCE-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CC[NH+](C)C3)cc2C1 ZINC001673769654 1106085447 /nfs/dbraw/zinc/08/54/47/1106085447.db2.gz QNFGXMKXHMTJLC-QFBILLFUSA-N 2 1 341.499 2.925 10 30 EFEEMP C=CCC[C@H](C)[NH+]1Cc2ccc(CNC(=O)[C@@H]3CC[N@H+](C)C3)cc2C1 ZINC001673769654 1106085452 /nfs/dbraw/zinc/08/54/52/1106085452.db2.gz QNFGXMKXHMTJLC-QFBILLFUSA-N 2 1 341.499 2.925 10 30 EFEEMP C=CCC[C@H](C)[NH+]1Cc2ccc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)cc2C1 ZINC001673769654 1106085460 /nfs/dbraw/zinc/08/54/60/1106085460.db2.gz QNFGXMKXHMTJLC-QFBILLFUSA-N 2 1 341.499 2.925 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC001674022441 1106123081 /nfs/dbraw/zinc/12/30/81/1106123081.db2.gz COGQBVFQIQRUIQ-QGZVFWFLSA-N 2 1 348.491 2.533 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC001674022441 1106123083 /nfs/dbraw/zinc/12/30/83/1106123083.db2.gz COGQBVFQIQRUIQ-QGZVFWFLSA-N 2 1 348.491 2.533 10 30 EFEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001674033025 1106127613 /nfs/dbraw/zinc/12/76/13/1106127613.db2.gz DTTMOXSMCRZEBX-MOPGFXCFSA-N 2 1 347.547 2.737 10 30 EFEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[C@H]1C ZINC001674132878 1106142580 /nfs/dbraw/zinc/14/25/80/1106142580.db2.gz BSEFRBYAUORORD-SJORKVTESA-N 2 1 333.520 2.632 10 30 EFEEMP C#CCC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001674132878 1106142587 /nfs/dbraw/zinc/14/25/87/1106142587.db2.gz BSEFRBYAUORORD-SJORKVTESA-N 2 1 333.520 2.632 10 30 EFEEMP C#CCC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001674132878 1106142591 /nfs/dbraw/zinc/14/25/91/1106142591.db2.gz BSEFRBYAUORORD-SJORKVTESA-N 2 1 333.520 2.632 10 30 EFEEMP C=CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001674343655 1106175362 /nfs/dbraw/zinc/17/53/62/1106175362.db2.gz ZKCMAGGQSVMAAE-IBGZPJMESA-N 2 1 335.536 2.853 10 30 EFEEMP C=CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001674343655 1106175364 /nfs/dbraw/zinc/17/53/64/1106175364.db2.gz ZKCMAGGQSVMAAE-IBGZPJMESA-N 2 1 335.536 2.853 10 30 EFEEMP C=CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001674343655 1106175367 /nfs/dbraw/zinc/17/53/67/1106175367.db2.gz ZKCMAGGQSVMAAE-IBGZPJMESA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCCC[N@H+](CC)CC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001674353335 1106176119 /nfs/dbraw/zinc/17/61/19/1106176119.db2.gz MADSIYVLQNLHNF-LJQANCHMSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCCC[NH+](CC)CC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001674353335 1106176125 /nfs/dbraw/zinc/17/61/25/1106176125.db2.gz MADSIYVLQNLHNF-LJQANCHMSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCCC[NH+](CC)CC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001674353335 1106176128 /nfs/dbraw/zinc/17/61/28/1106176128.db2.gz MADSIYVLQNLHNF-LJQANCHMSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CC[N@@H+](CC)CC1CCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001674352745 1106176297 /nfs/dbraw/zinc/17/62/97/1106176297.db2.gz IEBYMTSDNJKKCS-UHFFFAOYSA-N 2 1 343.515 2.865 10 30 EFEEMP C=CC[N@H+](CC)CC1CCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001674352745 1106176298 /nfs/dbraw/zinc/17/62/98/1106176298.db2.gz IEBYMTSDNJKKCS-UHFFFAOYSA-N 2 1 343.515 2.865 10 30 EFEEMP C=CC[NH+](CC)CC1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001674352745 1106176300 /nfs/dbraw/zinc/17/63/00/1106176300.db2.gz IEBYMTSDNJKKCS-UHFFFAOYSA-N 2 1 343.515 2.865 10 30 EFEEMP C=CC[NH+](CC)CC1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001674352745 1106176302 /nfs/dbraw/zinc/17/63/02/1106176302.db2.gz IEBYMTSDNJKKCS-UHFFFAOYSA-N 2 1 343.515 2.865 10 30 EFEEMP C=CCCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001674425019 1106185533 /nfs/dbraw/zinc/18/55/33/1106185533.db2.gz MAPIFBWXXACGIX-VAMGGRTRSA-N 2 1 341.499 2.809 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CCCC(C)(C)C ZINC001674463733 1106196705 /nfs/dbraw/zinc/19/67/05/1106196705.db2.gz RUJKPCYQIHSBTD-OALUTQOASA-N 2 1 347.547 2.833 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CCCC(C)(C)C ZINC001674463733 1106196706 /nfs/dbraw/zinc/19/67/06/1106196706.db2.gz RUJKPCYQIHSBTD-OALUTQOASA-N 2 1 347.547 2.833 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CCCC(C)(C)C ZINC001674463733 1106196708 /nfs/dbraw/zinc/19/67/08/1106196708.db2.gz RUJKPCYQIHSBTD-OALUTQOASA-N 2 1 347.547 2.833 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CCCC(C)(C)C ZINC001674463733 1106196709 /nfs/dbraw/zinc/19/67/09/1106196709.db2.gz RUJKPCYQIHSBTD-OALUTQOASA-N 2 1 347.547 2.833 10 30 EFEEMP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001674491917 1106204929 /nfs/dbraw/zinc/20/49/29/1106204929.db2.gz SXHLEBQSLZUDCE-VQTJNVASSA-N 2 1 341.499 2.626 10 30 EFEEMP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001674491917 1106204933 /nfs/dbraw/zinc/20/49/33/1106204933.db2.gz SXHLEBQSLZUDCE-VQTJNVASSA-N 2 1 341.499 2.626 10 30 EFEEMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001674491917 1106204936 /nfs/dbraw/zinc/20/49/36/1106204936.db2.gz SXHLEBQSLZUDCE-VQTJNVASSA-N 2 1 341.499 2.626 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001674510232 1106211216 /nfs/dbraw/zinc/21/12/16/1106211216.db2.gz HEWXDFYPPREPTQ-IBGZPJMESA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001674510232 1106211219 /nfs/dbraw/zinc/21/12/19/1106211219.db2.gz HEWXDFYPPREPTQ-IBGZPJMESA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001674510232 1106211223 /nfs/dbraw/zinc/21/12/23/1106211223.db2.gz HEWXDFYPPREPTQ-IBGZPJMESA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C(C)(C)C1 ZINC001675487196 1106372738 /nfs/dbraw/zinc/37/27/38/1106372738.db2.gz SOTQRSBOTGSZNT-SFHVURJKSA-N 2 1 329.488 2.521 10 30 EFEEMP C=CCC[NH+]1C[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C(C)(C)C1 ZINC001675487196 1106372742 /nfs/dbraw/zinc/37/27/42/1106372742.db2.gz SOTQRSBOTGSZNT-SFHVURJKSA-N 2 1 329.488 2.521 10 30 EFEEMP C=CCC[N@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C(C)(C)C1 ZINC001675487196 1106372748 /nfs/dbraw/zinc/37/27/48/1106372748.db2.gz SOTQRSBOTGSZNT-SFHVURJKSA-N 2 1 329.488 2.521 10 30 EFEEMP C=CCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C(C)(C)C1 ZINC001675487196 1106372754 /nfs/dbraw/zinc/37/27/54/1106372754.db2.gz SOTQRSBOTGSZNT-SFHVURJKSA-N 2 1 329.488 2.521 10 30 EFEEMP C=CCCC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@H+](C)C3CCC3)C[C@@H]2C1 ZINC001675636966 1106401375 /nfs/dbraw/zinc/40/13/75/1106401375.db2.gz YBPGUHFKUOYGGO-RCCFBDPRSA-N 2 1 333.520 2.654 10 30 EFEEMP C=CCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001675636966 1106401378 /nfs/dbraw/zinc/40/13/78/1106401378.db2.gz YBPGUHFKUOYGGO-RCCFBDPRSA-N 2 1 333.520 2.654 10 30 EFEEMP C=CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001675636966 1106401381 /nfs/dbraw/zinc/40/13/81/1106401381.db2.gz YBPGUHFKUOYGGO-RCCFBDPRSA-N 2 1 333.520 2.654 10 30 EFEEMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001675666438 1106407534 /nfs/dbraw/zinc/40/75/34/1106407534.db2.gz YNIIGMJWBPFVEK-UHFFFAOYSA-N 2 1 347.547 2.999 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N2CCC([N@H+](C)CCCCCC)CC2)CC1 ZINC001676082443 1106482639 /nfs/dbraw/zinc/48/26/39/1106482639.db2.gz MQICTDZKCUNHHE-UHFFFAOYSA-N 2 1 347.547 2.835 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]21 ZINC001676839200 1106601148 /nfs/dbraw/zinc/60/11/48/1106601148.db2.gz ZSAKRGGTKJCGPX-YTQUADARSA-N 2 1 333.520 2.654 10 30 EFEEMP C=CCCCCC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001676894140 1106620233 /nfs/dbraw/zinc/62/02/33/1106620233.db2.gz NNJDVNMFRAURLP-AEFFLSMTSA-N 2 1 332.492 2.907 10 30 EFEEMP C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001676894140 1106620237 /nfs/dbraw/zinc/62/02/37/1106620237.db2.gz NNJDVNMFRAURLP-AEFFLSMTSA-N 2 1 332.492 2.907 10 30 EFEEMP C=CCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CCC)CC[C@@H]1C(F)(F)F ZINC001677376644 1106710359 /nfs/dbraw/zinc/71/03/59/1106710359.db2.gz XXCMDTXRQMPIKI-LSDHHAIUSA-N 2 1 349.441 2.663 10 30 EFEEMP CC[NH+]=C(NCC1CCSCC1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000086913853 1106757251 /nfs/dbraw/zinc/75/72/51/1106757251.db2.gz WLOMDJRUOPRZEB-ALOPSCKCSA-N 2 1 338.565 2.700 10 30 EFEEMP C=CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCCn2cc[nH+]c2C)C1 ZINC001483802974 1112466885 /nfs/dbraw/zinc/46/68/85/1112466885.db2.gz XUZAQWHZGAQZIC-RBUKOAKNSA-N 2 1 344.503 2.861 10 30 EFEEMP C=CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCCn2cc[nH+]c2C)C1 ZINC001483802974 1112466887 /nfs/dbraw/zinc/46/68/87/1112466887.db2.gz XUZAQWHZGAQZIC-RBUKOAKNSA-N 2 1 344.503 2.861 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1c[nH+]cc1C ZINC001483809887 1112477509 /nfs/dbraw/zinc/47/75/09/1112477509.db2.gz AMGMLRXHWUKJSI-NXHRZFHOSA-N 2 1 330.476 2.612 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1c[nH+]cc1C ZINC001483809887 1112477513 /nfs/dbraw/zinc/47/75/13/1112477513.db2.gz AMGMLRXHWUKJSI-NXHRZFHOSA-N 2 1 330.476 2.612 10 30 EFEEMP CC#CC[N@@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1CCCCCC1 ZINC001483813282 1112480810 /nfs/dbraw/zinc/48/08/10/1112480810.db2.gz LNEQENJCXVJTPP-LJQANCHMSA-N 2 1 335.536 2.737 10 30 EFEEMP C#CC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1CCCCCC1 ZINC001483813466 1112480940 /nfs/dbraw/zinc/48/09/40/1112480940.db2.gz TUZJYHDVUDICJT-AZUAARDMSA-N 2 1 347.547 2.881 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001483829264 1112489641 /nfs/dbraw/zinc/48/96/41/1112489641.db2.gz BRCPHMCSKWVKQO-MJGOQNOKSA-N 2 1 339.499 2.557 10 30 EFEEMP C#CC[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccc2ccccc2c1 ZINC001483992897 1112641257 /nfs/dbraw/zinc/64/12/57/1112641257.db2.gz QNBJHVFYFIZANO-UTKZUKDTSA-N 2 1 349.478 2.562 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001484169159 1112876771 /nfs/dbraw/zinc/87/67/71/1112876771.db2.gz TWONFJHLYIDKLV-FXAWDEMLSA-N 2 1 344.503 2.548 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001484169159 1112876774 /nfs/dbraw/zinc/87/67/74/1112876774.db2.gz TWONFJHLYIDKLV-FXAWDEMLSA-N 2 1 344.503 2.548 10 30 EFEEMP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001484548693 1113001117 /nfs/dbraw/zinc/00/11/17/1113001117.db2.gz XTXJEPIYLZMLKI-QUCCMNQESA-N 2 1 341.499 2.531 10 30 EFEEMP C=CCC[N@@H+]1CCc2c(CNC(=O)[C@@H](C(C)C)[NH+](C)C)cccc2C1 ZINC001484613004 1113056084 /nfs/dbraw/zinc/05/60/84/1113056084.db2.gz VYDZVAUULKXAFF-HXUWFJFHSA-N 2 1 343.515 2.823 10 30 EFEEMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001484830183 1117748619 /nfs/dbraw/zinc/74/86/19/1117748619.db2.gz NPZZIFFEIFZWOC-NRFANRHFSA-N 2 1 345.531 2.590 10 30 EFEEMP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001484820266 1117754475 /nfs/dbraw/zinc/75/44/75/1117754475.db2.gz LZOITJOMSPATHL-INIZCTEOSA-N 2 1 341.927 2.974 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC001484940918 1117865099 /nfs/dbraw/zinc/86/50/99/1117865099.db2.gz SEZJKFJFBGPXPK-GOSISDBHSA-N 2 1 335.536 2.901 10 30 EFEEMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001484943912 1117871757 /nfs/dbraw/zinc/87/17/57/1117871757.db2.gz ZGYDKEVHMUMJGA-OALUTQOASA-N 2 1 341.499 2.529 10 30 EFEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001484943912 1117871761 /nfs/dbraw/zinc/87/17/61/1117871761.db2.gz ZGYDKEVHMUMJGA-OALUTQOASA-N 2 1 341.499 2.529 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001484984258 1117909485 /nfs/dbraw/zinc/90/94/85/1117909485.db2.gz ZTVAHJPADKKNAD-ZWKOTPCHSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001485005323 1117934733 /nfs/dbraw/zinc/93/47/33/1117934733.db2.gz ALINJPKBGKCMAS-HXUWFJFHSA-N 2 1 341.499 2.764 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CCC ZINC001485058846 1117997613 /nfs/dbraw/zinc/99/76/13/1117997613.db2.gz VXQFSXHAIOKJEH-JKSUJKDBSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001485058846 1117997616 /nfs/dbraw/zinc/99/76/16/1117997616.db2.gz VXQFSXHAIOKJEH-JKSUJKDBSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CCC ZINC001485058846 1117997621 /nfs/dbraw/zinc/99/76/21/1117997621.db2.gz VXQFSXHAIOKJEH-JKSUJKDBSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CCC ZINC001485058846 1117997624 /nfs/dbraw/zinc/99/76/24/1117997624.db2.gz VXQFSXHAIOKJEH-JKSUJKDBSA-N 2 1 327.900 2.536 10 30 EFEEMP C=CC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001485081525 1118031723 /nfs/dbraw/zinc/03/17/23/1118031723.db2.gz FCYMCSNXZWOJFX-ROUUACIJSA-N 2 1 335.536 2.711 10 30 EFEEMP C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001485081525 1118031725 /nfs/dbraw/zinc/03/17/25/1118031725.db2.gz FCYMCSNXZWOJFX-ROUUACIJSA-N 2 1 335.536 2.711 10 30 EFEEMP C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001485081525 1118031728 /nfs/dbraw/zinc/03/17/28/1118031728.db2.gz FCYMCSNXZWOJFX-ROUUACIJSA-N 2 1 335.536 2.711 10 30 EFEEMP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001485265800 1118184403 /nfs/dbraw/zinc/18/44/03/1118184403.db2.gz MVQKCKVANHAIJC-GOSISDBHSA-N 2 1 331.504 2.940 10 30 EFEEMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2cnc(C)c2)C(C)(C)C1 ZINC001485569808 1118456646 /nfs/dbraw/zinc/45/66/46/1118456646.db2.gz OJXQLJUFANHBPG-MRXNPFEDSA-N 2 1 332.492 2.719 10 30 EFEEMP C=CC[N@@H+]1CCCC2(CN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001485661582 1118510832 /nfs/dbraw/zinc/51/08/32/1118510832.db2.gz DVKLICQTLJTVJJ-UHFFFAOYSA-N 2 1 333.520 2.609 10 30 EFEEMP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001485740153 1118552286 /nfs/dbraw/zinc/55/22/86/1118552286.db2.gz IBYVCKSCFABAAY-JKSUJKDBSA-N 2 1 329.916 2.876 10 30 EFEEMP C=C(C)CC[N@H+](C)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001485759196 1118563812 /nfs/dbraw/zinc/56/38/12/1118563812.db2.gz LWUQHOGUZGIINM-UHFFFAOYSA-N 2 1 333.520 2.751 10 30 EFEEMP C=C(C)C[NH2+]CCCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001485770582 1118583015 /nfs/dbraw/zinc/58/30/15/1118583015.db2.gz UPFGLUJKVAWMFL-IBGZPJMESA-N 2 1 329.488 2.665 10 30 EFEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940800799 1118634070 /nfs/dbraw/zinc/63/40/70/1118634070.db2.gz HMHCBBZEUHNXFH-RTBURBONSA-N 2 1 345.531 2.633 10 30 EFEEMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000940800799 1118634072 /nfs/dbraw/zinc/63/40/72/1118634072.db2.gz HMHCBBZEUHNXFH-RTBURBONSA-N 2 1 345.531 2.633 10 30 EFEEMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940800799 1118634075 /nfs/dbraw/zinc/63/40/75/1118634075.db2.gz HMHCBBZEUHNXFH-RTBURBONSA-N 2 1 345.531 2.633 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000940988834 1118649150 /nfs/dbraw/zinc/64/91/50/1118649150.db2.gz YGINNJOXNAVKPH-FUHWJXTLSA-N 2 1 344.503 2.547 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000940988834 1118649152 /nfs/dbraw/zinc/64/91/52/1118649152.db2.gz YGINNJOXNAVKPH-FUHWJXTLSA-N 2 1 344.503 2.547 10 30 EFEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000941092990 1118667347 /nfs/dbraw/zinc/66/73/47/1118667347.db2.gz IMYSFUOXXYTDJT-LJQANCHMSA-N 2 1 341.499 2.602 10 30 EFEEMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)NCC1CCC(C(F)(F)F)CC1 ZINC000262540250 240360644 /nfs/dbraw/zinc/36/06/44/240360644.db2.gz QZJCSYCBWRMNKG-RUXDESIVSA-N 2 1 334.430 2.614 10 30 EFEEMP C[NH+]=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000262627768 240362506 /nfs/dbraw/zinc/36/25/06/240362506.db2.gz DTXPHXBNPWEXRQ-HSTIPLNKSA-N 2 1 348.441 2.611 10 30 EFEEMP C[NH+]=C(NCC[N@H+](C)C1CC1)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000261973875 240334276 /nfs/dbraw/zinc/33/42/76/240334276.db2.gz NHGAENNDKLGEOP-MRXNPFEDSA-N 2 1 330.476 2.548 10 30 EFEEMP C[NH+]=C(NCC[N@@H+](C)C1CC1)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000261973875 240334286 /nfs/dbraw/zinc/33/42/86/240334286.db2.gz NHGAENNDKLGEOP-MRXNPFEDSA-N 2 1 330.476 2.548 10 30 EFEEMP C[NH+]=C(NCC[N@H+](C)C1CC1)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000261973870 240336582 /nfs/dbraw/zinc/33/65/82/240336582.db2.gz NHGAENNDKLGEOP-INIZCTEOSA-N 2 1 330.476 2.548 10 30 EFEEMP C[NH+]=C(NCC[N@@H+](C)C1CC1)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000261973870 240336591 /nfs/dbraw/zinc/33/65/91/240336591.db2.gz NHGAENNDKLGEOP-INIZCTEOSA-N 2 1 330.476 2.548 10 30 EFEEMP C[NH+]=C(NCc1cccc(-c2ccccn2)c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262030194 240342394 /nfs/dbraw/zinc/34/23/94/240342394.db2.gz SGZDXXSRVKEPPR-SFHVURJKSA-N 2 1 349.482 2.650 10 30 EFEEMP C[NH+]=C(NCc1cccc(-c2ccccn2)c1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262030194 240342398 /nfs/dbraw/zinc/34/23/98/240342398.db2.gz SGZDXXSRVKEPPR-SFHVURJKSA-N 2 1 349.482 2.650 10 30 EFEEMP C[NH+]=C(NCc1nc(C(C)C)c(C)s1)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000262803537 240370922 /nfs/dbraw/zinc/37/09/22/240370922.db2.gz RJYZPSBCTNESKB-TZMCWYRMSA-N 2 1 349.548 2.865 10 30 EFEEMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1C#N ZINC000328656925 258018695 /nfs/dbraw/zinc/01/86/95/258018695.db2.gz ZUTGWRBTVNEJGX-PXNSSMCTSA-N 2 1 336.439 2.744 10 30 EFEEMP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1C#N ZINC000328656925 258018696 /nfs/dbraw/zinc/01/86/96/258018696.db2.gz ZUTGWRBTVNEJGX-PXNSSMCTSA-N 2 1 336.439 2.744 10 30 EFEEMP C=CCC[C@@H](C[NH+]1CCCC1)Oc1ccc(-n2cc[nH+]c2C)nn1 ZINC000072428073 472664165 /nfs/dbraw/zinc/66/41/65/472664165.db2.gz KQWYDJMZIAHSMQ-INIZCTEOSA-N 2 1 327.432 2.780 10 30 EFEEMP C=CCCC[C@@H](C)[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000091559921 472777611 /nfs/dbraw/zinc/77/76/11/472777611.db2.gz WHRQYBZKABXGJF-GOSISDBHSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCc1cc([C@H]2[NH2+][C@@](C)(CO)[C@H]3C[N@H+](C)C[C@H]32)ccc1OC(C)C ZINC000065430594 472941284 /nfs/dbraw/zinc/94/12/84/472941284.db2.gz REMDZLUDUCYKTI-JYRKZWEQSA-N 2 1 344.499 2.775 10 30 EFEEMP C=CCc1cc([C@H]2[NH2+][C@@](C)(CO)[C@H]3C[N@@H+](C)C[C@H]32)ccc1OC(C)C ZINC000065430594 472941290 /nfs/dbraw/zinc/94/12/90/472941290.db2.gz REMDZLUDUCYKTI-JYRKZWEQSA-N 2 1 344.499 2.775 10 30 EFEEMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)CCN1C ZINC000123464397 473143640 /nfs/dbraw/zinc/14/36/40/473143640.db2.gz SINJNVAGDXLFTO-BBRMVZONSA-N 2 1 348.878 2.955 10 30 EFEEMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@@H+]1C ZINC000123464397 473143646 /nfs/dbraw/zinc/14/36/46/473143646.db2.gz SINJNVAGDXLFTO-BBRMVZONSA-N 2 1 348.878 2.955 10 30 EFEEMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@H+]1C ZINC000123464397 473143650 /nfs/dbraw/zinc/14/36/50/473143650.db2.gz SINJNVAGDXLFTO-BBRMVZONSA-N 2 1 348.878 2.955 10 30 EFEEMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[NH+]1C ZINC000123464397 473143656 /nfs/dbraw/zinc/14/36/56/473143656.db2.gz SINJNVAGDXLFTO-BBRMVZONSA-N 2 1 348.878 2.955 10 30 EFEEMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[NH+]1C ZINC000123464397 473143662 /nfs/dbraw/zinc/14/36/62/473143662.db2.gz SINJNVAGDXLFTO-BBRMVZONSA-N 2 1 348.878 2.955 10 30 EFEEMP C=CCC[C@@H](O)C[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000127651505 473637343 /nfs/dbraw/zinc/63/73/43/473637343.db2.gz DMZXEEXGIPJJBZ-NHCUHLMSSA-N 2 1 346.515 2.691 10 30 EFEEMP N#Cc1ccc([C@H](O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246492480 473879605 /nfs/dbraw/zinc/87/96/05/473879605.db2.gz HFBJEBJKLBUFKD-YZGWKJHDSA-N 2 1 325.456 2.540 10 30 EFEEMP N#Cc1ccc([C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246492480 473879614 /nfs/dbraw/zinc/87/96/14/473879614.db2.gz HFBJEBJKLBUFKD-YZGWKJHDSA-N 2 1 325.456 2.540 10 30 EFEEMP N#Cc1ccc([C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246492480 473879620 /nfs/dbraw/zinc/87/96/20/473879620.db2.gz HFBJEBJKLBUFKD-YZGWKJHDSA-N 2 1 325.456 2.540 10 30 EFEEMP N#Cc1ccc([C@H](O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246492449 473879979 /nfs/dbraw/zinc/87/99/79/473879979.db2.gz HFBJEBJKLBUFKD-DFQSSKMNSA-N 2 1 325.456 2.540 10 30 EFEEMP N#Cc1ccc([C@H](O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246492449 473879987 /nfs/dbraw/zinc/87/99/87/473879987.db2.gz HFBJEBJKLBUFKD-DFQSSKMNSA-N 2 1 325.456 2.540 10 30 EFEEMP N#Cc1ccc([C@H](O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246492449 473879996 /nfs/dbraw/zinc/87/99/96/473879996.db2.gz HFBJEBJKLBUFKD-DFQSSKMNSA-N 2 1 325.456 2.540 10 30 EFEEMP C=CCCC[C@H](C)NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000181425038 474035508 /nfs/dbraw/zinc/03/55/08/474035508.db2.gz KNPNODLEEOMYHQ-HTUJPFKRSA-N 2 1 348.535 2.684 10 30 EFEEMP C[C@H]1CCCC[N@@H+]1CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181506992 474042359 /nfs/dbraw/zinc/04/23/59/474042359.db2.gz FZQYLCUJDDHSDX-SFHVURJKSA-N 2 1 340.515 2.987 10 30 EFEEMP C[C@H]1CCCC[N@H+]1CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181506992 474042365 /nfs/dbraw/zinc/04/23/65/474042365.db2.gz FZQYLCUJDDHSDX-SFHVURJKSA-N 2 1 340.515 2.987 10 30 EFEEMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC(=O)N(C)CCC#N)cc1 ZINC000183687608 474411862 /nfs/dbraw/zinc/41/18/62/474411862.db2.gz KDEKKBCFJQCPQM-HNNXBMFYSA-N 2 1 339.443 2.594 10 30 EFEEMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2OC)[C@H](C)C1 ZINC000190004240 474533754 /nfs/dbraw/zinc/53/37/54/474533754.db2.gz CSGZJICAXRQWTB-APWZRJJASA-N 2 1 345.487 2.793 10 30 EFEEMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2OC)[C@H](C)C1 ZINC000190004240 474533765 /nfs/dbraw/zinc/53/37/65/474533765.db2.gz CSGZJICAXRQWTB-APWZRJJASA-N 2 1 345.487 2.793 10 30 EFEEMP N#CCCOCCN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000292858104 474679378 /nfs/dbraw/zinc/67/93/78/474679378.db2.gz RFWQCSZUCANOJY-WOJBJXKFSA-N 2 1 327.472 2.903 10 30 EFEEMP N#CCCOCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000292858104 474679384 /nfs/dbraw/zinc/67/93/84/474679384.db2.gz RFWQCSZUCANOJY-WOJBJXKFSA-N 2 1 327.472 2.903 10 30 EFEEMP N#CCCOCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000292858104 474679390 /nfs/dbraw/zinc/67/93/90/474679390.db2.gz RFWQCSZUCANOJY-WOJBJXKFSA-N 2 1 327.472 2.903 10 30 EFEEMP N#CCCOCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000292858104 474679397 /nfs/dbraw/zinc/67/93/97/474679397.db2.gz RFWQCSZUCANOJY-WOJBJXKFSA-N 2 1 327.472 2.903 10 30 EFEEMP N#CCCOCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000292858104 474679405 /nfs/dbraw/zinc/67/94/05/474679405.db2.gz RFWQCSZUCANOJY-WOJBJXKFSA-N 2 1 327.472 2.903 10 30 EFEEMP Cn1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1C#N ZINC000310837550 474829659 /nfs/dbraw/zinc/82/96/59/474829659.db2.gz MZPDQXWKCNXPTO-SESVDKBCSA-N 2 1 334.467 2.897 10 30 EFEEMP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(C#N)cc1F ZINC000358562583 475773084 /nfs/dbraw/zinc/77/30/84/475773084.db2.gz HHEQLEIHSPHYPZ-CQSZACIVSA-N 2 1 342.418 2.884 10 30 EFEEMP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)C(C)C ZINC000349722141 475991069 /nfs/dbraw/zinc/99/10/69/475991069.db2.gz JQDRJIYNGFWNCG-RBUKOAKNSA-N 2 1 348.535 2.563 10 30 EFEEMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000383104549 476749218 /nfs/dbraw/zinc/74/92/18/476749218.db2.gz CUHYRIYNBWJVFH-SJORKVTESA-N 2 1 337.508 2.567 10 30 EFEEMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000383104549 476749229 /nfs/dbraw/zinc/74/92/29/476749229.db2.gz CUHYRIYNBWJVFH-SJORKVTESA-N 2 1 337.508 2.567 10 30 EFEEMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000383104545 476750215 /nfs/dbraw/zinc/75/02/15/476750215.db2.gz CUHYRIYNBWJVFH-DLBZAZTESA-N 2 1 337.508 2.567 10 30 EFEEMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000383104545 476750218 /nfs/dbraw/zinc/75/02/18/476750218.db2.gz CUHYRIYNBWJVFH-DLBZAZTESA-N 2 1 337.508 2.567 10 30 EFEEMP N#C[C@@H]1CCCC[C@@H]1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390878303 476808340 /nfs/dbraw/zinc/80/83/40/476808340.db2.gz UBVRPJOSYSVPKO-ZCNNSNEGSA-N 2 1 327.472 2.949 10 30 EFEEMP C=CCOc1cccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000415056667 476907670 /nfs/dbraw/zinc/90/76/70/476907670.db2.gz QDNYTUZPHZVETR-UHFFFAOYSA-N 2 1 329.488 2.557 10 30 EFEEMP N#Cc1ccc(C[N@@H+]2CC[C@H](Oc3cccnc3N3CCCC3)C2)nc1 ZINC000408524213 476965946 /nfs/dbraw/zinc/96/59/46/476965946.db2.gz YVKOHKUKFBCILU-SFHVURJKSA-N 2 1 349.438 2.602 10 30 EFEEMP N#Cc1ccc(C[N@H+]2CC[C@H](Oc3cccnc3N3CCCC3)C2)nc1 ZINC000408524213 476965950 /nfs/dbraw/zinc/96/59/50/476965950.db2.gz YVKOHKUKFBCILU-SFHVURJKSA-N 2 1 349.438 2.602 10 30 EFEEMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000411282479 477180672 /nfs/dbraw/zinc/18/06/72/477180672.db2.gz UZNJSYSXXQYSSJ-IBGZPJMESA-N 2 1 332.536 2.952 10 30 EFEEMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000411282479 477180675 /nfs/dbraw/zinc/18/06/75/477180675.db2.gz UZNJSYSXXQYSSJ-IBGZPJMESA-N 2 1 332.536 2.952 10 30 EFEEMP C=CC1CC[NH+](CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000532965589 478015359 /nfs/dbraw/zinc/01/53/59/478015359.db2.gz DVCWRSOBDNNGQI-SFHVURJKSA-N 2 1 341.499 2.790 10 30 EFEEMP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000594436824 478386996 /nfs/dbraw/zinc/38/69/96/478386996.db2.gz GGTKMVWQEDZFNT-NEWSRXKRSA-N 2 1 342.487 2.567 10 30 EFEEMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594441308 478391069 /nfs/dbraw/zinc/39/10/69/478391069.db2.gz QSOHJZRQCWNULW-GOSISDBHSA-N 2 1 330.476 2.554 10 30 EFEEMP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000594447248 478394212 /nfs/dbraw/zinc/39/42/12/478394212.db2.gz WLEQWSGMJMHEOB-MOPGFXCFSA-N 2 1 342.487 2.521 10 30 EFEEMP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000594447248 478394219 /nfs/dbraw/zinc/39/42/19/478394219.db2.gz WLEQWSGMJMHEOB-MOPGFXCFSA-N 2 1 342.487 2.521 10 30 EFEEMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1(C)C ZINC000594524389 478426168 /nfs/dbraw/zinc/42/61/68/478426168.db2.gz PPBIVSOVPRHRTN-UHFFFAOYSA-N 2 1 328.504 2.603 10 30 EFEEMP N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000600718685 478483574 /nfs/dbraw/zinc/48/35/74/478483574.db2.gz AEWQMQMQZJGBET-RTBURBONSA-N 2 1 327.472 2.543 10 30 EFEEMP N#CC1(C[C@H](O)C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000600720197 478483919 /nfs/dbraw/zinc/48/39/19/478483919.db2.gz HNZSGNCPHARJLI-CVEARBPZSA-N 2 1 333.501 2.604 10 30 EFEEMP N#CC1(C[C@H](O)C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000600720197 478483928 /nfs/dbraw/zinc/48/39/28/478483928.db2.gz HNZSGNCPHARJLI-CVEARBPZSA-N 2 1 333.501 2.604 10 30 EFEEMP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000600738536 478498354 /nfs/dbraw/zinc/49/83/54/478498354.db2.gz JKOMTMHOEGFAJH-PMACEKPBSA-N 2 1 341.499 2.933 10 30 EFEEMP N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[N@@H+]3CC[C@@H](O)C3)cc1)CC2 ZINC000595066862 478648735 /nfs/dbraw/zinc/64/87/35/478648735.db2.gz FXCHJHUOGIHWGG-IFMALSPDSA-N 2 1 347.462 2.902 10 30 EFEEMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(C#N)cc1 ZINC000595067644 478649685 /nfs/dbraw/zinc/64/96/85/478649685.db2.gz HQNSROQLRZARFQ-IERDGZPVSA-N 2 1 335.451 2.976 10 30 EFEEMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc(C#N)c1 ZINC000595069879 478649979 /nfs/dbraw/zinc/64/99/79/478649979.db2.gz LWKJMWLAYUOZDB-HRAATJIYSA-N 2 1 335.451 2.976 10 30 EFEEMP CC[N@@H+](CCC1CC[NH+](C[C@@H](O)CC2(C#N)CC2)CC1)CC1CC1 ZINC000528430691 478770173 /nfs/dbraw/zinc/77/01/73/478770173.db2.gz KTUZMGCUDLDVNE-IBGZPJMESA-N 2 1 333.520 2.875 10 30 EFEEMP CC[N@@H+](CCC1CC[NH+](C[C@H](O)CC2(C#N)CC2)CC1)CC1CC1 ZINC000528430697 478771373 /nfs/dbraw/zinc/77/13/73/478771373.db2.gz KTUZMGCUDLDVNE-LJQANCHMSA-N 2 1 333.520 2.875 10 30 EFEEMP N#CC1(C[C@@H](O)C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000528501263 478805152 /nfs/dbraw/zinc/80/51/52/478805152.db2.gz CYLWGQLIOKZZDN-CTNGQTDRSA-N 2 1 339.483 2.639 10 30 EFEEMP N#CC1(C[C@@H](O)C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000528501263 478805157 /nfs/dbraw/zinc/80/51/57/478805157.db2.gz CYLWGQLIOKZZDN-CTNGQTDRSA-N 2 1 339.483 2.639 10 30 EFEEMP N#CC1(C[C@@H](O)C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000528501263 478805164 /nfs/dbraw/zinc/80/51/64/478805164.db2.gz CYLWGQLIOKZZDN-CTNGQTDRSA-N 2 1 339.483 2.639 10 30 EFEEMP N#Cc1cccc(COc2cccc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)c2)c1 ZINC000611287756 479337799 /nfs/dbraw/zinc/33/77/99/479337799.db2.gz AVJXZHJSZMPYLQ-PMACEKPBSA-N 2 1 333.435 2.788 10 30 EFEEMP N#Cc1cccc(COc2cccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c2)c1 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/nfs/dbraw/zinc/07/38/12/1259073812.db2.gz NMYRLYCGJAAULT-MOPGFXCFSA-N 2 1 345.531 2.587 10 30 EFEEMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001670988983 1259345597 /nfs/dbraw/zinc/34/55/97/1259345597.db2.gz CYNGBUODCAKCLG-UHFFFAOYSA-N 2 1 347.547 2.996 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001671038549 1259821101 /nfs/dbraw/zinc/82/11/01/1259821101.db2.gz DTIHHROTLQPARH-HKUYNNGSSA-N 2 1 339.499 2.557 10 30 EFEEMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923501893 1261799601 /nfs/dbraw/zinc/79/96/01/1261799601.db2.gz WPGXLJPPGYYGTE-JYJNAYRXSA-N 2 1 335.517 2.568 10 30 EFEEMP C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923501781 1261799620 /nfs/dbraw/zinc/79/96/20/1261799620.db2.gz VLSOWTSUDRAANB-CABCVRRESA-N 2 1 333.501 2.820 10 30 EFEEMP C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923501781 1261799624 /nfs/dbraw/zinc/79/96/24/1261799624.db2.gz VLSOWTSUDRAANB-CABCVRRESA-N 2 1 333.501 2.820 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC001486097082 1262621071 /nfs/dbraw/zinc/62/10/71/1262621071.db2.gz TYUDTYKDUAANBI-IEBWSBKVSA-N 2 1 329.488 2.664 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC001486097082 1262621080 /nfs/dbraw/zinc/62/10/80/1262621080.db2.gz TYUDTYKDUAANBI-IEBWSBKVSA-N 2 1 329.488 2.664 10 30 EFEEMP C=CCCC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1(C)C ZINC001486250188 1262855256 /nfs/dbraw/zinc/85/52/56/1262855256.db2.gz OMXBXOWVIAADCQ-IBGZPJMESA-N 2 1 343.515 2.911 10 30 EFEEMP C=CCCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)CC1(C)C ZINC001486250188 1262855266 /nfs/dbraw/zinc/85/52/66/1262855266.db2.gz OMXBXOWVIAADCQ-IBGZPJMESA-N 2 1 343.515 2.911 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCCCCCC)C(C)(C)C1 ZINC001486235526 1262872182 /nfs/dbraw/zinc/87/21/82/1262872182.db2.gz YDTZBBRMMMRYNW-OALUTQOASA-N 2 1 347.547 2.881 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCCCCCC)C(C)(C)C1 ZINC001486235526 1262872191 /nfs/dbraw/zinc/87/21/91/1262872191.db2.gz YDTZBBRMMMRYNW-OALUTQOASA-N 2 1 347.547 2.881 10 30 EFEEMP C=C(C)C[N@@H+](C)CCN(C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1)C(C)C ZINC001486370119 1262967427 /nfs/dbraw/zinc/96/74/27/1262967427.db2.gz REIUANNOUJVDEL-GOSISDBHSA-N 2 1 347.507 2.535 10 30 EFEEMP C=C(C)C[N@H+](C)CCN(C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1)C(C)C ZINC001486370119 1262967429 /nfs/dbraw/zinc/96/74/29/1262967429.db2.gz REIUANNOUJVDEL-GOSISDBHSA-N 2 1 347.507 2.535 10 30 EFEEMP C=C(C)C[NH+](C)CCN(C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1)C(C)C ZINC001486370119 1262967435 /nfs/dbraw/zinc/96/74/35/1262967435.db2.gz REIUANNOUJVDEL-GOSISDBHSA-N 2 1 347.507 2.535 10 30 EFEEMP C=C(C)C[NH+](C)CCN(C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1)C(C)C ZINC001486370119 1262967441 /nfs/dbraw/zinc/96/74/41/1262967441.db2.gz REIUANNOUJVDEL-GOSISDBHSA-N 2 1 347.507 2.535 10 30 EFEEMP CCC[N@@H+](C)CC(=O)N[C@H](C[NH2+]CC#Cc1ccccc1)C(C)(C)C ZINC001486420874 1263068688 /nfs/dbraw/zinc/06/86/88/1263068688.db2.gz ZUKCCMMEIPIJGQ-LJQANCHMSA-N 2 1 343.515 2.500 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C(C)(C)C ZINC001486422544 1263072596 /nfs/dbraw/zinc/07/25/96/1263072596.db2.gz BFZWZJDNAPCRLJ-LSDHHAIUSA-N 2 1 329.916 2.734 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001486446433 1263131835 /nfs/dbraw/zinc/13/18/35/1263131835.db2.gz KYIOQWRGHSAKEM-HBFSDRIKSA-N 2 1 345.531 2.655 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001486446433 1263131842 /nfs/dbraw/zinc/13/18/42/1263131842.db2.gz KYIOQWRGHSAKEM-HBFSDRIKSA-N 2 1 345.531 2.655 10 30 EFEEMP C=CCCCCC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001486509215 1263281523 /nfs/dbraw/zinc/28/15/23/1263281523.db2.gz NTMONEMXGIYVMR-IBGZPJMESA-N 2 1 333.520 2.965 10 30 EFEEMP C=CCCCCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001486509215 1263281528 /nfs/dbraw/zinc/28/15/28/1263281528.db2.gz NTMONEMXGIYVMR-IBGZPJMESA-N 2 1 333.520 2.965 10 30 EFEEMP C=CCCCCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001486509215 1263281534 /nfs/dbraw/zinc/28/15/34/1263281534.db2.gz NTMONEMXGIYVMR-IBGZPJMESA-N 2 1 333.520 2.965 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001410329842 1264800894 /nfs/dbraw/zinc/80/08/94/1264800894.db2.gz PFHJXXANWBOCRQ-ZWKOTPCHSA-N 2 1 349.906 2.868 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001410329825 1264801287 /nfs/dbraw/zinc/80/12/87/1264801287.db2.gz PFHJXXANWBOCRQ-MSOLQXFVSA-N 2 1 349.906 2.868 10 30 EFEEMP C#CC[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000819306007 1276711823 /nfs/dbraw/zinc/71/18/23/1276711823.db2.gz YPYXJSRKHOOPCK-FGZHOGPDSA-N 2 1 336.479 2.704 10 30 EFEEMP C#CC[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000819306007 1276711826 /nfs/dbraw/zinc/71/18/26/1276711826.db2.gz YPYXJSRKHOOPCK-FGZHOGPDSA-N 2 1 336.479 2.704 10 30 EFEEMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCC[N@H+](C(C)C)C1)C(C)C ZINC001144203870 1279259831 /nfs/dbraw/zinc/25/98/31/1279259831.db2.gz FNUQYPYKISOUAU-RTBURBONSA-N 2 1 335.536 2.922 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001671085318 1281424119 /nfs/dbraw/zinc/42/41/19/1281424119.db2.gz OFQQMARERNFCIM-TZIWHRDSSA-N 2 1 347.547 2.997 10 30 EFEEMP N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000903460672 1312715380 /nfs/dbraw/zinc/71/53/80/1312715380.db2.gz HMTMAORTQPWLEO-CGTJXYLNSA-N 2 1 333.863 2.930 10 30 EFEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000876738556 1290997640 /nfs/dbraw/zinc/99/76/40/1290997640.db2.gz GSAABRDMORVAKF-ZFWWWQNUSA-N 2 1 341.908 2.546 10 30 EFEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000876891908 1291059350 /nfs/dbraw/zinc/05/93/50/1291059350.db2.gz FPROVSAMISUJJR-SOUVJXGZSA-N 2 1 342.270 2.671 10 30 EFEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000876891908 1291059358 /nfs/dbraw/zinc/05/93/58/1291059358.db2.gz FPROVSAMISUJJR-SOUVJXGZSA-N 2 1 342.270 2.671 10 30 EFEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](CC)C1 ZINC000876892621 1291062068 /nfs/dbraw/zinc/06/20/68/1291062068.db2.gz DAXMNEAQOLIHKN-SJORKVTESA-N 2 1 335.879 2.579 10 30 EFEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](CC)C1 ZINC000876892621 1291062079 /nfs/dbraw/zinc/06/20/79/1291062079.db2.gz DAXMNEAQOLIHKN-SJORKVTESA-N 2 1 335.879 2.579 10 30 EFEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000876941328 1291080701 /nfs/dbraw/zinc/08/07/01/1291080701.db2.gz KHAWZURYLJXUSG-NVXWUHKLSA-N 2 1 341.927 2.959 10 30 EFEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000876941327 1291080798 /nfs/dbraw/zinc/08/07/98/1291080798.db2.gz KHAWZURYLJXUSG-DOTOQJQBSA-N 2 1 341.927 2.959 10 30 EFEEMP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001273610037 1292357336 /nfs/dbraw/zinc/35/73/36/1292357336.db2.gz HZDGWBOREKQTMU-GOSISDBHSA-N 2 1 327.488 2.603 10 30 EFEEMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001276333053 1292836310 /nfs/dbraw/zinc/83/63/10/1292836310.db2.gz DAPIEBYYQHTEAW-PMACEKPBSA-N 2 1 347.547 2.881 10 30 EFEEMP CC#CC[N@@H+](CCCNC(=O)c1sccc1C[NH+](C)C)C(C)C ZINC001691733115 1295335161 /nfs/dbraw/zinc/33/51/61/1295335161.db2.gz STCWFHSKSVWDJB-UHFFFAOYSA-N 2 1 335.517 2.663 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCC1CCCCCC1 ZINC001274732208 1296152831 /nfs/dbraw/zinc/15/28/31/1296152831.db2.gz XVCMTOSHMHQZBK-ICSRJNTNSA-N 2 1 347.547 2.929 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCC1CCCCCC1 ZINC001274732208 1296152843 /nfs/dbraw/zinc/15/28/43/1296152843.db2.gz XVCMTOSHMHQZBK-ICSRJNTNSA-N 2 1 347.547 2.929 10 30 EFEEMP C=CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001273826581 1296168979 /nfs/dbraw/zinc/16/89/79/1296168979.db2.gz ZRHDXFXDMUDAFK-WOJBJXKFSA-N 2 1 343.515 2.692 10 30 EFEEMP C=CCCC[N@H+](CC)CC1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001274955984 1296219717 /nfs/dbraw/zinc/21/97/17/1296219717.db2.gz UVJUIZIBPINMHC-GOSISDBHSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCCC[NH+](CC)CC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001274955984 1296219720 /nfs/dbraw/zinc/21/97/20/1296219720.db2.gz UVJUIZIBPINMHC-GOSISDBHSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCCC[NH+](CC)CC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001274955984 1296219723 /nfs/dbraw/zinc/21/97/23/1296219723.db2.gz UVJUIZIBPINMHC-GOSISDBHSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001273833693 1296245819 /nfs/dbraw/zinc/24/58/19/1296245819.db2.gz QFNPRNGWJACPOC-PZJWPPBQSA-N 2 1 345.531 2.609 10 30 EFEEMP CC#CC[NH2+]C1CCC(N(C)C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001275601946 1296319905 /nfs/dbraw/zinc/31/99/05/1296319905.db2.gz OWHFZTIMJWQLDW-WWDZGPRUSA-N 2 1 344.503 2.779 10 30 EFEEMP C#CCC[NH2+]C1CCC(N(C)C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001275639041 1296332737 /nfs/dbraw/zinc/33/27/37/1296332737.db2.gz MVSUGTUDTBQSCQ-UHFFFAOYSA-N 2 1 341.499 2.501 10 30 EFEEMP C#CCC[NH2+]C1CCC(N(C)C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001275639041 1296332753 /nfs/dbraw/zinc/33/27/53/1296332753.db2.gz MVSUGTUDTBQSCQ-UHFFFAOYSA-N 2 1 341.499 2.501 10 30 EFEEMP C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cc(C)[nH+]c(C)c1)C(C)C ZINC001201905833 1297160945 /nfs/dbraw/zinc/16/09/45/1297160945.db2.gz BHRWGIOMOHEWFL-SFHVURJKSA-N 2 1 330.476 2.940 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001488670120 1297625166 /nfs/dbraw/zinc/62/51/66/1297625166.db2.gz JPMSXXNJQNYPEG-IBGZPJMESA-N 2 1 329.488 2.861 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001490443389 1298871137 /nfs/dbraw/zinc/87/11/37/1298871137.db2.gz QWOQOCYMMKXDSP-IBGZPJMESA-N 2 1 343.515 2.951 10 30 EFEEMP C=CCCCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001490776285 1299238171 /nfs/dbraw/zinc/23/81/71/1299238171.db2.gz HJDVASOCXWYHOF-RTBURBONSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCCCCC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001490776285 1299238180 /nfs/dbraw/zinc/23/81/80/1299238180.db2.gz HJDVASOCXWYHOF-RTBURBONSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCCCCC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001490776285 1299238187 /nfs/dbraw/zinc/23/81/87/1299238187.db2.gz HJDVASOCXWYHOF-RTBURBONSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001490777451 1299244328 /nfs/dbraw/zinc/24/43/28/1299244328.db2.gz PVGYCIHNBFBHRP-MOPGFXCFSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCCCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)C1CCC1 ZINC001490792013 1299261338 /nfs/dbraw/zinc/26/13/38/1299261338.db2.gz OWQMBUXDGNYNBA-KDURUIRLSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C1CCC1 ZINC001490792013 1299261351 /nfs/dbraw/zinc/26/13/51/1299261351.db2.gz OWQMBUXDGNYNBA-KDURUIRLSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C1CCC1 ZINC001490792013 1299261363 /nfs/dbraw/zinc/26/13/63/1299261363.db2.gz OWQMBUXDGNYNBA-KDURUIRLSA-N 2 1 333.520 2.892 10 30 EFEEMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC[NH+](CCC(=C)C)CC1 ZINC001278177348 1313746393 /nfs/dbraw/zinc/74/63/93/1313746393.db2.gz OQNFLYDEGPWWNW-OALUTQOASA-N 2 1 345.531 2.609 10 30 EFEEMP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CCCC1 ZINC001278240447 1313830807 /nfs/dbraw/zinc/83/08/07/1313830807.db2.gz BUTZOYNHEVYOOH-VQTJNVASSA-N 2 1 345.531 2.681 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000900086882 1307644325 /nfs/dbraw/zinc/64/43/25/1307644325.db2.gz BUUPUOBRGRUNHD-UHFFFAOYSA-N 2 1 349.906 2.882 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000900086882 1307644332 /nfs/dbraw/zinc/64/43/32/1307644332.db2.gz BUUPUOBRGRUNHD-UHFFFAOYSA-N 2 1 349.906 2.882 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000900439532 1308163944 /nfs/dbraw/zinc/16/39/44/1308163944.db2.gz NAHRZRQOULSRCD-INIZCTEOSA-N 2 1 335.517 2.584 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000901086917 1309414630 /nfs/dbraw/zinc/41/46/30/1309414630.db2.gz CZPOIRLXOJHOPW-SFHVURJKSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC001276690437 1314395404 /nfs/dbraw/zinc/39/54/04/1314395404.db2.gz OBSGNRVBUOVACD-LDLYASANSA-N 2 1 345.531 2.655 10 30 EFEEMP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3(C[NH+](C)C)CC3)C[C@H]2C1 ZINC001276840595 1311187409 /nfs/dbraw/zinc/18/74/09/1311187409.db2.gz QMVWIBJUZQKOEX-BZSNNMDCSA-N 2 1 333.520 2.511 10 30 EFEEMP C=CCCCCC[N@H+]1C[C@@]2(C)CN(C(=O)Cc3ncc[nH]3)C[C@@]2(C)C1 ZINC001276905807 1311283643 /nfs/dbraw/zinc/28/36/43/1311283643.db2.gz HMBWDQJNFAUBSR-BGYRXZFFSA-N 2 1 344.503 2.869 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001277068227 1311570827 /nfs/dbraw/zinc/57/08/27/1311570827.db2.gz AZFGUJFYEALHGD-WDSOQIARSA-N 2 1 329.488 2.740 10 30 EFEEMP C=CCCC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@H]1C(F)(F)F ZINC001284737506 1320501693 /nfs/dbraw/zinc/50/16/93/1320501693.db2.gz MLONINNLMSGEJT-CABCVRRESA-N 2 1 349.441 2.663 10 30 EFEEMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)CCCn3cc[nH+]c3C)CC2)C1 ZINC001277282912 1311921467 /nfs/dbraw/zinc/92/14/67/1311921467.db2.gz DVLOJTCYQKNNAM-LJQANCHMSA-N 2 1 344.503 2.718 10 30 EFEEMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CCCn3cc[nH+]c3C)CC2)C1 ZINC001277282912 1311921471 /nfs/dbraw/zinc/92/14/71/1311921471.db2.gz DVLOJTCYQKNNAM-LJQANCHMSA-N 2 1 344.503 2.718 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CC1 ZINC001277350961 1312040720 /nfs/dbraw/zinc/04/07/20/1312040720.db2.gz BSCFXIXXZRNXIJ-KSZLIROESA-N 2 1 333.520 2.748 10 30 EFEEMP C=CCCC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001277441086 1312175379 /nfs/dbraw/zinc/17/53/79/1312175379.db2.gz KAHWBQYRLUOZJJ-HKUYNNGSSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001277473882 1312400368 /nfs/dbraw/zinc/40/03/68/1312400368.db2.gz LNMGAZIUPAKTHW-UYAOXDASSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001277515995 1312505469 /nfs/dbraw/zinc/50/54/69/1312505469.db2.gz DWLMGWCKGJTFST-XLIONFOSSA-N 2 1 333.520 2.750 10 30 EFEEMP C#CC[NH2+]CCC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001277547055 1312542601 /nfs/dbraw/zinc/54/26/01/1312542601.db2.gz CTNMVBHTPXVNTC-YSIASYRMSA-N 2 1 341.499 2.577 10 30 EFEEMP C=CC[NH2+][C@H](CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001277587268 1312588879 /nfs/dbraw/zinc/58/88/79/1312588879.db2.gz NFPFORJPARJTPP-CRAIPNDOSA-N 2 1 327.488 2.505 10 30 EFEEMP C=CCCCCC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001278458061 1314657125 /nfs/dbraw/zinc/65/71/25/1314657125.db2.gz BATPHTSWCKODMM-QWFCFKBJSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCCCCC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001278458061 1314657129 /nfs/dbraw/zinc/65/71/29/1314657129.db2.gz BATPHTSWCKODMM-QWFCFKBJSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001278458061 1314657132 /nfs/dbraw/zinc/65/71/32/1314657132.db2.gz BATPHTSWCKODMM-QWFCFKBJSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001278458061 1314657135 /nfs/dbraw/zinc/65/71/35/1314657135.db2.gz BATPHTSWCKODMM-QWFCFKBJSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCC[N@@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3C)CCC[C@H]12 ZINC001278467062 1314686819 /nfs/dbraw/zinc/68/68/19/1314686819.db2.gz MYGRICIFJTVMJP-PKOBYXMFSA-N 2 1 330.476 2.661 10 30 EFEEMP C=CCC[N@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3C)CCC[C@H]12 ZINC001278467062 1314686822 /nfs/dbraw/zinc/68/68/22/1314686822.db2.gz MYGRICIFJTVMJP-PKOBYXMFSA-N 2 1 330.476 2.661 10 30 EFEEMP C=C(C)CC[NH+]1CCC(C)(CNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001278615876 1315297320 /nfs/dbraw/zinc/29/73/20/1315297320.db2.gz PRILCFLBTKPGFC-UHFFFAOYSA-N 2 1 348.491 2.534 10 30 EFEEMP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001278692745 1315556445 /nfs/dbraw/zinc/55/64/45/1315556445.db2.gz BXXMZGQLJSBLDV-TZIWHRDSSA-N 2 1 341.499 2.531 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001278692745 1315556449 /nfs/dbraw/zinc/55/64/49/1315556449.db2.gz BXXMZGQLJSBLDV-TZIWHRDSSA-N 2 1 341.499 2.531 10 30 EFEEMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001318443000 1328592680 /nfs/dbraw/zinc/59/26/80/1328592680.db2.gz OXXNYNUJGHKALK-OALUTQOASA-N 2 1 329.488 2.788 10 30 EFEEMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001318443000 1328592686 /nfs/dbraw/zinc/59/26/86/1328592686.db2.gz OXXNYNUJGHKALK-OALUTQOASA-N 2 1 329.488 2.788 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001318443000 1328592690 /nfs/dbraw/zinc/59/26/90/1328592690.db2.gz OXXNYNUJGHKALK-OALUTQOASA-N 2 1 329.488 2.788 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001318443000 1328592696 /nfs/dbraw/zinc/59/26/96/1328592696.db2.gz OXXNYNUJGHKALK-OALUTQOASA-N 2 1 329.488 2.788 10 30 EFEEMP CC[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]CC#Cc1ccccc1 ZINC001318576904 1328642856 /nfs/dbraw/zinc/64/28/56/1328642856.db2.gz PNIZTGMAGFDRQT-IBGZPJMESA-N 2 1 343.515 2.500 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2C[C@@H](C)CC(C)C)CC1 ZINC001263821007 1316566645 /nfs/dbraw/zinc/56/66/45/1316566645.db2.gz KXZKCFIQOYKKFR-AZUAARDMSA-N 2 1 347.547 2.547 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)Cc1ccccc1 ZINC001263822767 1316567362 /nfs/dbraw/zinc/56/73/62/1316567362.db2.gz BPUKKKSXEOTBFB-LJQANCHMSA-N 2 1 329.488 2.617 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)Cc1ccccc1 ZINC001263822767 1316567364 /nfs/dbraw/zinc/56/73/64/1316567364.db2.gz BPUKKKSXEOTBFB-LJQANCHMSA-N 2 1 329.488 2.617 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001263822767 1316567365 /nfs/dbraw/zinc/56/73/65/1316567365.db2.gz BPUKKKSXEOTBFB-LJQANCHMSA-N 2 1 329.488 2.617 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001263822767 1316567367 /nfs/dbraw/zinc/56/73/67/1316567367.db2.gz BPUKKKSXEOTBFB-LJQANCHMSA-N 2 1 329.488 2.617 10 30 EFEEMP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001264017928 1316581048 /nfs/dbraw/zinc/58/10/48/1316581048.db2.gz QWXMMXAMGCRZNY-NCXUSEDFSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001264038877 1316581901 /nfs/dbraw/zinc/58/19/01/1316581901.db2.gz NZFLTQDPDPEHLP-WOJBJXKFSA-N 2 1 343.515 2.879 10 30 EFEEMP C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001264038877 1316581903 /nfs/dbraw/zinc/58/19/03/1316581903.db2.gz NZFLTQDPDPEHLP-WOJBJXKFSA-N 2 1 343.515 2.879 10 30 EFEEMP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001264038877 1316581905 /nfs/dbraw/zinc/58/19/05/1316581905.db2.gz NZFLTQDPDPEHLP-WOJBJXKFSA-N 2 1 343.515 2.879 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@@H]2C1 ZINC001264096214 1316588852 /nfs/dbraw/zinc/58/88/52/1316588852.db2.gz HTSDLTWIDJEPKC-CEXWTWQISA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001264097828 1316589133 /nfs/dbraw/zinc/58/91/33/1316589133.db2.gz YMVHSAPKIZPCPO-HSALFYBXSA-N 2 1 347.547 2.996 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001264097828 1316589138 /nfs/dbraw/zinc/58/91/38/1316589138.db2.gz YMVHSAPKIZPCPO-HSALFYBXSA-N 2 1 347.547 2.996 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001264097828 1316589139 /nfs/dbraw/zinc/58/91/39/1316589139.db2.gz YMVHSAPKIZPCPO-HSALFYBXSA-N 2 1 347.547 2.996 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@@H]2C1 ZINC001264099448 1316589323 /nfs/dbraw/zinc/58/93/23/1316589323.db2.gz BMAPOFAHORSMQM-OTWHNJEPSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@@H]2C1 ZINC001264099448 1316589326 /nfs/dbraw/zinc/58/93/26/1316589326.db2.gz BMAPOFAHORSMQM-OTWHNJEPSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@@H]2C1 ZINC001264099448 1316589329 /nfs/dbraw/zinc/58/93/29/1316589329.db2.gz BMAPOFAHORSMQM-OTWHNJEPSA-N 2 1 335.536 2.853 10 30 EFEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)CC(C)(C)C1 ZINC001264196713 1316600542 /nfs/dbraw/zinc/60/05/42/1316600542.db2.gz JSBUBDKGNFJLHH-IBGZPJMESA-N 2 1 347.547 2.883 10 30 EFEEMP C#CCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001264517204 1316626484 /nfs/dbraw/zinc/62/64/84/1316626484.db2.gz CRRRULHHYVOFRC-QZTJIDSGSA-N 2 1 344.503 2.637 10 30 EFEEMP CC#CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001264517276 1316626679 /nfs/dbraw/zinc/62/66/79/1316626679.db2.gz DJORONWIDDISGO-IEBWSBKVSA-N 2 1 344.503 2.602 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)[C@H]21 ZINC001264586496 1316636092 /nfs/dbraw/zinc/63/60/92/1316636092.db2.gz QHSRPEVKMJXHOB-QRQLOZEOSA-N 2 1 335.536 2.900 10 30 EFEEMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)[C@H]1CC ZINC001264622372 1316643589 /nfs/dbraw/zinc/64/35/89/1316643589.db2.gz ITSAEEONGDVLJR-ZCNNSNEGSA-N 2 1 341.499 2.672 10 30 EFEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)[C@H]1CC ZINC001264622372 1316643591 /nfs/dbraw/zinc/64/35/91/1316643591.db2.gz ITSAEEONGDVLJR-ZCNNSNEGSA-N 2 1 341.499 2.672 10 30 EFEEMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)[C@H]1CC ZINC001264622372 1316643592 /nfs/dbraw/zinc/64/35/92/1316643592.db2.gz ITSAEEONGDVLJR-ZCNNSNEGSA-N 2 1 341.499 2.672 10 30 EFEEMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)[C@H]1CC ZINC001264622372 1316643595 /nfs/dbraw/zinc/64/35/95/1316643595.db2.gz ITSAEEONGDVLJR-ZCNNSNEGSA-N 2 1 341.499 2.672 10 30 EFEEMP C=CCCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001281086492 1316671949 /nfs/dbraw/zinc/67/19/49/1316671949.db2.gz DKTQLFOHIFUIIU-AZUAARDMSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001281086492 1316671950 /nfs/dbraw/zinc/67/19/50/1316671950.db2.gz DKTQLFOHIFUIIU-AZUAARDMSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001281086492 1316671953 /nfs/dbraw/zinc/67/19/53/1316671953.db2.gz DKTQLFOHIFUIIU-AZUAARDMSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001281087938 1316681029 /nfs/dbraw/zinc/68/10/29/1316681029.db2.gz OQKQDDLQHRWJJY-HKUYNNGSSA-N 2 1 339.499 2.557 10 30 EFEEMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001281087947 1316681033 /nfs/dbraw/zinc/68/10/33/1316681033.db2.gz OUHACIAZCAZPDC-OAQYLSRUSA-N 2 1 345.531 2.589 10 30 EFEEMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001281087947 1316681034 /nfs/dbraw/zinc/68/10/34/1316681034.db2.gz OUHACIAZCAZPDC-OAQYLSRUSA-N 2 1 345.531 2.589 10 30 EFEEMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001281087947 1316681035 /nfs/dbraw/zinc/68/10/35/1316681035.db2.gz OUHACIAZCAZPDC-OAQYLSRUSA-N 2 1 345.531 2.589 10 30 EFEEMP C=CC[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)C1CC1 ZINC001265161188 1316743707 /nfs/dbraw/zinc/74/37/07/1316743707.db2.gz FGFPXUCNUFYNNR-KRWDZBQOSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CC[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001265161188 1316743710 /nfs/dbraw/zinc/74/37/10/1316743710.db2.gz FGFPXUCNUFYNNR-KRWDZBQOSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CC[NH+](CCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001265161188 1316743712 /nfs/dbraw/zinc/74/37/12/1316743712.db2.gz FGFPXUCNUFYNNR-KRWDZBQOSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001265199209 1316750170 /nfs/dbraw/zinc/75/01/70/1316750170.db2.gz QVTXCJPTGGCITH-RTBURBONSA-N 2 1 333.520 2.892 10 30 EFEEMP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001265389249 1316795211 /nfs/dbraw/zinc/79/52/11/1316795211.db2.gz UYGJWPVQJBJVMK-MSOLQXFVSA-N 2 1 344.503 2.590 10 30 EFEEMP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001265389249 1316795212 /nfs/dbraw/zinc/79/52/12/1316795212.db2.gz UYGJWPVQJBJVMK-MSOLQXFVSA-N 2 1 344.503 2.590 10 30 EFEEMP C=C(C)C[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001265390264 1316795260 /nfs/dbraw/zinc/79/52/60/1316795260.db2.gz ASZQRVYPBUVTSJ-RBUKOAKNSA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001265390264 1316795262 /nfs/dbraw/zinc/79/52/62/1316795262.db2.gz ASZQRVYPBUVTSJ-RBUKOAKNSA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001265390264 1316795263 /nfs/dbraw/zinc/79/52/63/1316795263.db2.gz ASZQRVYPBUVTSJ-RBUKOAKNSA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001265401153 1316800003 /nfs/dbraw/zinc/80/00/03/1316800003.db2.gz KXVFYTJGQXLJSL-HXUWFJFHSA-N 2 1 343.515 2.865 10 30 EFEEMP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001265401153 1316800006 /nfs/dbraw/zinc/80/00/06/1316800006.db2.gz KXVFYTJGQXLJSL-HXUWFJFHSA-N 2 1 343.515 2.865 10 30 EFEEMP C=C(C)C[NH+](C)C[C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001265401153 1316800008 /nfs/dbraw/zinc/80/00/08/1316800008.db2.gz KXVFYTJGQXLJSL-HXUWFJFHSA-N 2 1 343.515 2.865 10 30 EFEEMP C=C(C)C[NH+](C)C[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001265401153 1316800011 /nfs/dbraw/zinc/80/00/11/1316800011.db2.gz KXVFYTJGQXLJSL-HXUWFJFHSA-N 2 1 343.515 2.865 10 30 EFEEMP C#CCC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@H+](C)CCCCCC)C1 ZINC001265523846 1316820048 /nfs/dbraw/zinc/82/00/48/1316820048.db2.gz QGVCAGPUBZWHGU-VQTJNVASSA-N 2 1 347.547 2.835 10 30 EFEEMP C#CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+](C)CCCCCC)C1 ZINC001265523846 1316820050 /nfs/dbraw/zinc/82/00/50/1316820050.db2.gz QGVCAGPUBZWHGU-VQTJNVASSA-N 2 1 347.547 2.835 10 30 EFEEMP C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+](C)CCCCCC)C1 ZINC001265523846 1316820052 /nfs/dbraw/zinc/82/00/52/1316820052.db2.gz QGVCAGPUBZWHGU-VQTJNVASSA-N 2 1 347.547 2.835 10 30 EFEEMP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001265544621 1316823512 /nfs/dbraw/zinc/82/35/12/1316823512.db2.gz NHNCGBAEDXTCNJ-FCGDIQPGSA-N 2 1 333.520 2.987 10 30 EFEEMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001265654539 1316845352 /nfs/dbraw/zinc/84/53/52/1316845352.db2.gz XBDMDHWKKAUJHT-HXUWFJFHSA-N 2 1 343.515 2.708 10 30 EFEEMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001265654539 1316845354 /nfs/dbraw/zinc/84/53/54/1316845354.db2.gz XBDMDHWKKAUJHT-HXUWFJFHSA-N 2 1 343.515 2.708 10 30 EFEEMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001265654539 1316845357 /nfs/dbraw/zinc/84/53/57/1316845357.db2.gz XBDMDHWKKAUJHT-HXUWFJFHSA-N 2 1 343.515 2.708 10 30 EFEEMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001265654539 1316845359 /nfs/dbraw/zinc/84/53/59/1316845359.db2.gz XBDMDHWKKAUJHT-HXUWFJFHSA-N 2 1 343.515 2.708 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)[C@H](CC)c1ccccc1 ZINC001265864214 1316896607 /nfs/dbraw/zinc/89/66/07/1316896607.db2.gz DKWHCXLDCPUEJT-UXHICEINSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)[C@H](CC)c1ccccc1 ZINC001265864214 1316896608 /nfs/dbraw/zinc/89/66/08/1316896608.db2.gz DKWHCXLDCPUEJT-UXHICEINSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@H](CC)c1ccccc1 ZINC001265864214 1316896609 /nfs/dbraw/zinc/89/66/09/1316896609.db2.gz DKWHCXLDCPUEJT-UXHICEINSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@H](CC)c1ccccc1 ZINC001265864214 1316896610 /nfs/dbraw/zinc/89/66/10/1316896610.db2.gz DKWHCXLDCPUEJT-UXHICEINSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001266195254 1317137613 /nfs/dbraw/zinc/13/76/13/1317137613.db2.gz QGYNPFWKJWFVAR-HXUWFJFHSA-N 2 1 341.499 2.626 10 30 EFEEMP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001266219944 1317160171 /nfs/dbraw/zinc/16/01/71/1317160171.db2.gz LHMNUNCUMYPDHZ-QUCCMNQESA-N 2 1 345.531 2.778 10 30 EFEEMP CC#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001266219944 1317160176 /nfs/dbraw/zinc/16/01/76/1317160176.db2.gz LHMNUNCUMYPDHZ-QUCCMNQESA-N 2 1 345.531 2.778 10 30 EFEEMP CC#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001266219944 1317160183 /nfs/dbraw/zinc/16/01/83/1317160183.db2.gz LHMNUNCUMYPDHZ-QUCCMNQESA-N 2 1 345.531 2.778 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001266238897 1317188051 /nfs/dbraw/zinc/18/80/51/1317188051.db2.gz YVIWYHVTULYEIY-KRWDZBQOSA-N 2 1 341.927 2.832 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001266240598 1317189194 /nfs/dbraw/zinc/18/91/94/1317189194.db2.gz YJNKTCUFVDOAJJ-FQEVSTJZSA-N 2 1 343.515 2.951 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CCCC1)C2 ZINC001279237055 1317217244 /nfs/dbraw/zinc/21/72/44/1317217244.db2.gz OWALYYKJNYWODO-AKHDSKFASA-N 2 1 333.520 2.796 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001279282172 1317225947 /nfs/dbraw/zinc/22/59/47/1317225947.db2.gz VMTJHLQZQAYHKN-FHWLQOOXSA-N 2 1 335.536 2.807 10 30 EFEEMP C=C(Cl)C[NH2+]CCN(Cc1ccccc1)C(=O)Cn1cc[nH+]c1C ZINC001279327610 1317237119 /nfs/dbraw/zinc/23/71/19/1317237119.db2.gz KSAQTMNVCSVMQY-UHFFFAOYSA-N 2 1 346.862 2.562 10 30 EFEEMP C=C(C)CC[NH+]1CCC(C2(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001279368408 1317246878 /nfs/dbraw/zinc/24/68/78/1317246878.db2.gz RPZYMJPOZWBDCS-KRWDZBQOSA-N 2 1 333.520 2.655 10 30 EFEEMP C=C(C)CC[N@H+]1CC=C(CNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001279643422 1317341892 /nfs/dbraw/zinc/34/18/92/1317341892.db2.gz GHYQNCVBHYNWLQ-UHFFFAOYSA-N 2 1 330.476 2.721 10 30 EFEEMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001279643422 1317341899 /nfs/dbraw/zinc/34/18/99/1317341899.db2.gz GHYQNCVBHYNWLQ-UHFFFAOYSA-N 2 1 330.476 2.721 10 30 EFEEMP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)Cn2cc[nH+]c2C(C)C)cc1 ZINC001280355088 1317519294 /nfs/dbraw/zinc/51/92/94/1317519294.db2.gz XPMMUAQFBHZWAJ-MRXNPFEDSA-N 2 1 338.455 2.607 10 30 EFEEMP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001280380864 1317534365 /nfs/dbraw/zinc/53/43/65/1317534365.db2.gz BMLOXSFTDJISLP-UAPYVXQJSA-N 2 1 329.488 2.569 10 30 EFEEMP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001280380864 1317534369 /nfs/dbraw/zinc/53/43/69/1317534369.db2.gz BMLOXSFTDJISLP-UAPYVXQJSA-N 2 1 329.488 2.569 10 30 EFEEMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001280770562 1317767772 /nfs/dbraw/zinc/76/77/72/1317767772.db2.gz SKDNFUZHFAKRRO-WOJBJXKFSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001280770562 1317767775 /nfs/dbraw/zinc/76/77/75/1317767775.db2.gz SKDNFUZHFAKRRO-WOJBJXKFSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001280770562 1317767777 /nfs/dbraw/zinc/76/77/77/1317767777.db2.gz SKDNFUZHFAKRRO-WOJBJXKFSA-N 2 1 341.499 2.673 10 30 EFEEMP C=CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001281016201 1317969432 /nfs/dbraw/zinc/96/94/32/1317969432.db2.gz JYJIRPNUVQNXDT-ZWKOTPCHSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001281063383 1318003629 /nfs/dbraw/zinc/00/36/29/1318003629.db2.gz OYSVOWIFVVCUEG-FQEVSTJZSA-N 2 1 341.499 2.590 10 30 EFEEMP C=CCC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001281063383 1318003634 /nfs/dbraw/zinc/00/36/34/1318003634.db2.gz OYSVOWIFVVCUEG-FQEVSTJZSA-N 2 1 341.499 2.590 10 30 EFEEMP C=CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001281063383 1318003641 /nfs/dbraw/zinc/00/36/41/1318003641.db2.gz OYSVOWIFVVCUEG-FQEVSTJZSA-N 2 1 341.499 2.590 10 30 EFEEMP C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001281073269 1318008520 /nfs/dbraw/zinc/00/85/20/1318008520.db2.gz WAGZVEBJCKXHQY-VQTJNVASSA-N 2 1 343.515 2.836 10 30 EFEEMP C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001281073269 1318008523 /nfs/dbraw/zinc/00/85/23/1318008523.db2.gz WAGZVEBJCKXHQY-VQTJNVASSA-N 2 1 343.515 2.836 10 30 EFEEMP C=CCCC[NH2+]CCC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001318907142 1328737979 /nfs/dbraw/zinc/73/79/79/1328737979.db2.gz MUHAFXNAQYGEHZ-HKUYNNGSSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001281684633 1318545149 /nfs/dbraw/zinc/54/51/49/1318545149.db2.gz URLGLIDFVURRAD-SJORKVTESA-N 2 1 341.927 2.974 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001281684633 1318545156 /nfs/dbraw/zinc/54/51/56/1318545156.db2.gz URLGLIDFVURRAD-SJORKVTESA-N 2 1 341.927 2.974 10 30 EFEEMP C=CCC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001281775882 1318577644 /nfs/dbraw/zinc/57/76/44/1318577644.db2.gz FTUVDJOGAGQREE-XLIONFOSSA-N 2 1 341.499 2.620 10 30 EFEEMP C=CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001281775882 1318577654 /nfs/dbraw/zinc/57/76/54/1318577654.db2.gz FTUVDJOGAGQREE-XLIONFOSSA-N 2 1 341.499 2.620 10 30 EFEEMP C=CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001281775882 1318577660 /nfs/dbraw/zinc/57/76/60/1318577660.db2.gz FTUVDJOGAGQREE-XLIONFOSSA-N 2 1 341.499 2.620 10 30 EFEEMP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)CC[N@H+](C)CCC)CC2)C1 ZINC001281979636 1318646628 /nfs/dbraw/zinc/64/66/28/1318646628.db2.gz BRLGLXJIXVXNPJ-LJQANCHMSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)CCC)CC2)C1 ZINC001281979636 1318646634 /nfs/dbraw/zinc/64/66/34/1318646634.db2.gz BRLGLXJIXVXNPJ-LJQANCHMSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)CCC)CC2)C1 ZINC001281979636 1318646642 /nfs/dbraw/zinc/64/66/42/1318646642.db2.gz BRLGLXJIXVXNPJ-LJQANCHMSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)CC[N@H+](C)CCC)CC2)C1 ZINC001281979633 1318646981 /nfs/dbraw/zinc/64/69/81/1318646981.db2.gz BRLGLXJIXVXNPJ-IBGZPJMESA-N 2 1 335.536 2.855 10 30 EFEEMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)CCC)CC2)C1 ZINC001281979633 1318646989 /nfs/dbraw/zinc/64/69/89/1318646989.db2.gz BRLGLXJIXVXNPJ-IBGZPJMESA-N 2 1 335.536 2.855 10 30 EFEEMP 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C=C(C)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001316643934 1321525890 /nfs/dbraw/zinc/52/58/90/1321525890.db2.gz IMLNEIYVFYUWHR-VQTJNVASSA-N 2 1 343.515 2.877 10 30 EFEEMP C=C(C)CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001316643934 1321525895 /nfs/dbraw/zinc/52/58/95/1321525895.db2.gz IMLNEIYVFYUWHR-VQTJNVASSA-N 2 1 343.515 2.877 10 30 EFEEMP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001319819044 1329002778 /nfs/dbraw/zinc/00/27/78/1329002778.db2.gz JGGNCYHQGUVOGZ-DLBZAZTESA-N 2 1 332.492 2.799 10 30 EFEEMP C=CCCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001319848677 1329012740 /nfs/dbraw/zinc/01/27/40/1329012740.db2.gz LZHAFKBYTUNMJG-YJBOKZPZSA-N 2 1 348.491 2.533 10 30 EFEEMP C=CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001319881974 1329027375 /nfs/dbraw/zinc/02/73/75/1329027375.db2.gz YAQVQCWNJREOOK-OALUTQOASA-N 2 1 333.520 2.750 10 30 EFEEMP C=CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001319881974 1329027380 /nfs/dbraw/zinc/02/73/80/1329027380.db2.gz YAQVQCWNJREOOK-OALUTQOASA-N 2 1 333.520 2.750 10 30 EFEEMP C=CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001319881974 1329027383 /nfs/dbraw/zinc/02/73/83/1329027383.db2.gz YAQVQCWNJREOOK-OALUTQOASA-N 2 1 333.520 2.750 10 30 EFEEMP C=CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001319881976 1329027767 /nfs/dbraw/zinc/02/77/67/1329027767.db2.gz YAQVQCWNJREOOK-RTBURBONSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CC[NH+](C)CCC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001319881976 1329027771 /nfs/dbraw/zinc/02/77/71/1329027771.db2.gz YAQVQCWNJREOOK-RTBURBONSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CC[NH+](C)CCC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001319881976 1329027772 /nfs/dbraw/zinc/02/77/72/1329027772.db2.gz YAQVQCWNJREOOK-RTBURBONSA-N 2 1 333.520 2.750 10 30 EFEEMP C#CCC[NH+](C)CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001319888912 1329028828 /nfs/dbraw/zinc/02/88/28/1329028828.db2.gz RSAALEGABDUMCX-HXUWFJFHSA-N 2 1 347.547 2.833 10 30 EFEEMP C#CCC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001319888912 1329028833 /nfs/dbraw/zinc/02/88/33/1329028833.db2.gz RSAALEGABDUMCX-HXUWFJFHSA-N 2 1 347.547 2.833 10 30 EFEEMP C#CCC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001319888912 1329028837 /nfs/dbraw/zinc/02/88/37/1329028837.db2.gz RSAALEGABDUMCX-HXUWFJFHSA-N 2 1 347.547 2.833 10 30 EFEEMP C#CCC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001319888908 1329029141 /nfs/dbraw/zinc/02/91/41/1329029141.db2.gz RSAALEGABDUMCX-FQEVSTJZSA-N 2 1 347.547 2.833 10 30 EFEEMP C#CCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001319888908 1329029143 /nfs/dbraw/zinc/02/91/43/1329029143.db2.gz RSAALEGABDUMCX-FQEVSTJZSA-N 2 1 347.547 2.833 10 30 EFEEMP C#CCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001319888908 1329029147 /nfs/dbraw/zinc/02/91/47/1329029147.db2.gz RSAALEGABDUMCX-FQEVSTJZSA-N 2 1 347.547 2.833 10 30 EFEEMP CC#CC[N@H+](C)CCC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001319889429 1329030311 /nfs/dbraw/zinc/03/03/11/1329030311.db2.gz VMUDURODGUIFPY-UHFFFAOYSA-N 2 1 344.503 2.590 10 30 EFEEMP CC#CC[N@@H+](C)CCC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001319889429 1329030319 /nfs/dbraw/zinc/03/03/19/1329030319.db2.gz VMUDURODGUIFPY-UHFFFAOYSA-N 2 1 344.503 2.590 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]21 ZINC001320102885 1329078765 /nfs/dbraw/zinc/07/87/65/1329078765.db2.gz ILKCJLNHHPHHCX-MOPGFXCFSA-N 2 1 344.503 2.861 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]21 ZINC001320102885 1329078771 /nfs/dbraw/zinc/07/87/71/1329078771.db2.gz ILKCJLNHHPHHCX-MOPGFXCFSA-N 2 1 344.503 2.861 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]21 ZINC001320110996 1329083038 /nfs/dbraw/zinc/08/30/38/1329083038.db2.gz KJXRSWIULSDHIC-OALUTQOASA-N 2 1 333.520 2.607 10 30 EFEEMP 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VPFFTFZQCWCNFO-IHWFROFDSA-N 2 1 341.499 2.806 10 30 EFEEMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+](C)Cc1ccccc1 ZINC001323670907 1329560103 /nfs/dbraw/zinc/56/01/03/1329560103.db2.gz VPFFTFZQCWCNFO-IHWFROFDSA-N 2 1 341.499 2.806 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001323692934 1329562133 /nfs/dbraw/zinc/56/21/33/1329562133.db2.gz IFWQRKNEHAMEBB-MSOLQXFVSA-N 2 1 331.504 2.646 10 30 EFEEMP C=CCCC[NH+](CC1CC1)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001323734144 1329566167 /nfs/dbraw/zinc/56/61/67/1329566167.db2.gz XAUVEKOXTCIAIK-SFHVURJKSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@H+](CC1CC1)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001323734144 1329566170 /nfs/dbraw/zinc/56/61/70/1329566170.db2.gz XAUVEKOXTCIAIK-SFHVURJKSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@@H+](CC1CC1)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001323734144 1329566172 /nfs/dbraw/zinc/56/61/72/1329566172.db2.gz XAUVEKOXTCIAIK-SFHVURJKSA-N 2 1 347.547 2.997 10 30 EFEEMP 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QKMWZEDWGREFBW-QFBILLFUSA-N 2 1 332.492 2.943 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001324615741 1329645140 /nfs/dbraw/zinc/64/51/40/1329645140.db2.gz QKMWZEDWGREFBW-QFBILLFUSA-N 2 1 332.492 2.943 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001324646048 1329647781 /nfs/dbraw/zinc/64/77/81/1329647781.db2.gz FTYOZWUZFSUEIC-NRFANRHFSA-N 2 1 343.515 2.708 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001324646048 1329647782 /nfs/dbraw/zinc/64/77/82/1329647782.db2.gz FTYOZWUZFSUEIC-NRFANRHFSA-N 2 1 343.515 2.708 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001324646048 1329647784 /nfs/dbraw/zinc/64/77/84/1329647784.db2.gz FTYOZWUZFSUEIC-NRFANRHFSA-N 2 1 343.515 2.708 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001324646048 1329647785 /nfs/dbraw/zinc/64/77/85/1329647785.db2.gz FTYOZWUZFSUEIC-NRFANRHFSA-N 2 1 343.515 2.708 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NC[C@@]2(C)CCC[N@H+](CCC(=C)C)C2)CC1 ZINC001324976555 1329664855 /nfs/dbraw/zinc/66/48/55/1329664855.db2.gz MRAJQYBMCDEJJS-OAQYLSRUSA-N 2 1 345.531 2.516 10 30 EFEEMP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)c1ccccc1CC ZINC001325367795 1329683402 /nfs/dbraw/zinc/68/34/02/1329683402.db2.gz ZKUVNEBXLCTVDD-VQTJNVASSA-N 2 1 341.499 2.504 10 30 EFEEMP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)c1ccccc1CC ZINC001325367795 1329683404 /nfs/dbraw/zinc/68/34/04/1329683404.db2.gz ZKUVNEBXLCTVDD-VQTJNVASSA-N 2 1 341.499 2.504 10 30 EFEEMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001325631210 1329702578 /nfs/dbraw/zinc/70/25/78/1329702578.db2.gz BBMFAKRPZUTIIR-BCDXTJNWSA-N 2 1 333.520 2.654 10 30 EFEEMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C2 ZINC001325642480 1329703522 /nfs/dbraw/zinc/70/35/22/1329703522.db2.gz GOHARMPKCGJMCH-FKSLSLAPSA-N 2 1 333.520 2.795 10 30 EFEEMP C#CCC[NH2+]CCN(Cc1ccccc1)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001325708588 1329707945 /nfs/dbraw/zinc/70/79/45/1329707945.db2.gz RDFNOXXPYKUYDN-KDURUIRLSA-N 2 1 341.499 2.501 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001325916389 1329723820 /nfs/dbraw/zinc/72/38/20/1329723820.db2.gz IMAPASZTIYQTDJ-RTBURBONSA-N 2 1 333.520 2.894 10 30 EFEEMP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001325946244 1329727075 /nfs/dbraw/zinc/72/70/75/1329727075.db2.gz NIPDICFWHGVPRC-GBESFXJTSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001325946119 1329727170 /nfs/dbraw/zinc/72/71/70/1329727170.db2.gz LYCIBIYIURYORL-OKZBNKHCSA-N 2 1 333.520 2.606 10 30 EFEEMP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001326411910 1329754422 /nfs/dbraw/zinc/75/44/22/1329754422.db2.gz OQEKKKJCYNHZAA-PKOBYXMFSA-N 2 1 329.488 2.694 10 30 EFEEMP C#CCC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C 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/nfs/dbraw/zinc/75/99/21/1329759921.db2.gz XJYSZCZMVWQUDU-DLBZAZTESA-N 2 1 329.488 2.871 10 30 EFEEMP CC[C@@H](C(=O)N(CC[N@@H+](C)Cc1ccc(C#N)cc1)C(C)C)[NH+](C)C ZINC001382506833 1348973808 /nfs/dbraw/zinc/97/38/08/1348973808.db2.gz PJLJYPSNVPEDKY-IBGZPJMESA-N 2 1 344.503 2.567 10 30 EFEEMP C=CCCCCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001326598476 1330324946 /nfs/dbraw/zinc/32/49/46/1330324946.db2.gz JORVCUHYIFACPS-IBGZPJMESA-N 2 1 347.547 2.999 10 30 EFEEMP C#CC[NH+]1CCC(CCCCCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001327498557 1330488431 /nfs/dbraw/zinc/48/84/31/1330488431.db2.gz BPFFVECHMDOXLS-FQEVSTJZSA-N 2 1 347.547 2.881 10 30 EFEEMP C#CC[NH+]1CCC(CCCCCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001327505482 1330489742 /nfs/dbraw/zinc/48/97/42/1330489742.db2.gz CSYLRBAJPJUBMU-HXUWFJFHSA-N 2 1 347.547 2.883 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001327528879 1330495795 /nfs/dbraw/zinc/49/57/95/1330495795.db2.gz DCPSXJFHGLYSDB-FXAWDEMLSA-N 2 1 344.503 2.861 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001327528879 1330495796 /nfs/dbraw/zinc/49/57/96/1330495796.db2.gz DCPSXJFHGLYSDB-FXAWDEMLSA-N 2 1 344.503 2.861 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001327530843 1330496158 /nfs/dbraw/zinc/49/61/58/1330496158.db2.gz QADTXQDJASJXEN-GHTZIAJQSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001327539663 1330496692 /nfs/dbraw/zinc/49/66/92/1330496692.db2.gz BXKJVDZCHXZRCU-UYAOXDASSA-N 2 1 345.531 2.751 10 30 EFEEMP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001327994820 1330539337 /nfs/dbraw/zinc/53/93/37/1330539337.db2.gz CKGLWGIFAICDRQ-SFHVURJKSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CC[N@H+](CC)CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001328589120 1330606090 /nfs/dbraw/zinc/60/60/90/1330606090.db2.gz TWRPWTXFSBQQPY-IBGZPJMESA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](CC)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001328589147 1330606213 /nfs/dbraw/zinc/60/62/13/1330606213.db2.gz VHSPQGMYGAAPKX-HKUYNNGSSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[C@H](C)[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001328589147 1330606217 /nfs/dbraw/zinc/60/62/17/1330606217.db2.gz VHSPQGMYGAAPKX-HKUYNNGSSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[C@H](C)[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001328589147 1330606219 /nfs/dbraw/zinc/60/62/19/1330606219.db2.gz VHSPQGMYGAAPKX-HKUYNNGSSA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001328673979 1330614906 /nfs/dbraw/zinc/61/49/06/1330614906.db2.gz JKZSIARYIMFSSP-IBGZPJMESA-N 2 1 329.488 2.665 10 30 EFEEMP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001328673979 1330614908 /nfs/dbraw/zinc/61/49/08/1330614908.db2.gz JKZSIARYIMFSSP-IBGZPJMESA-N 2 1 329.488 2.665 10 30 EFEEMP C=CCC[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001328904994 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DJMNGAYEZNNPTA-VQTJNVASSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001329935520 1330752944 /nfs/dbraw/zinc/75/29/44/1330752944.db2.gz DJMNGAYEZNNPTA-VQTJNVASSA-N 2 1 341.499 2.673 10 30 EFEEMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001330000698 1330760662 /nfs/dbraw/zinc/76/06/62/1330760662.db2.gz QWSCZWSUYRMUIV-JKSUJKDBSA-N 2 1 332.492 2.799 10 30 EFEEMP C=CCCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC001330512199 1330763610 /nfs/dbraw/zinc/76/36/10/1330763610.db2.gz NCRZSPAUBQXUSM-OALUTQOASA-N 2 1 345.531 2.894 10 30 EFEEMP C=CCCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C2)C1 ZINC001330512199 1330763612 /nfs/dbraw/zinc/76/36/12/1330763612.db2.gz NCRZSPAUBQXUSM-OALUTQOASA-N 2 1 345.531 2.894 10 30 EFEEMP C=CCCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)C1 ZINC001330512199 1330763613 /nfs/dbraw/zinc/76/36/13/1330763613.db2.gz NCRZSPAUBQXUSM-OALUTQOASA-N 2 1 345.531 2.894 10 30 EFEEMP C=CCCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001331058653 1330789613 /nfs/dbraw/zinc/78/96/13/1330789613.db2.gz DVHSXNMPYXLNDN-OALUTQOASA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001331058653 1330789615 /nfs/dbraw/zinc/78/96/15/1330789615.db2.gz DVHSXNMPYXLNDN-OALUTQOASA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001331058653 1330789616 /nfs/dbraw/zinc/78/96/16/1330789616.db2.gz DVHSXNMPYXLNDN-OALUTQOASA-N 2 1 333.520 2.892 10 30 EFEEMP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001331363329 1330828068 /nfs/dbraw/zinc/82/80/68/1330828068.db2.gz WSBFEKDGMZITSD-RTBURBONSA-N 2 1 329.488 2.692 10 30 EFEEMP C=CCCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001333363164 1331124935 /nfs/dbraw/zinc/12/49/35/1331124935.db2.gz AAJYFHIKYYUCSS-OALUTQOASA-N 2 1 331.504 2.718 10 30 EFEEMP C=CCCC[NH+]1CC=C(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001333363164 1331124938 /nfs/dbraw/zinc/12/49/38/1331124938.db2.gz AAJYFHIKYYUCSS-OALUTQOASA-N 2 1 331.504 2.718 10 30 EFEEMP C=CCCC[NH+]1CC=C(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001333363164 1331124940 /nfs/dbraw/zinc/12/49/40/1331124940.db2.gz AAJYFHIKYYUCSS-OALUTQOASA-N 2 1 331.504 2.718 10 30 EFEEMP C=CCCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001333433449 1331142537 /nfs/dbraw/zinc/14/25/37/1331142537.db2.gz PFDFQVTYITVUJQ-RTBURBONSA-N 2 1 333.520 2.821 10 30 EFEEMP C[C@H]1C(=NNCCCn2ccnc2)CCC[N@H+]1Cc1ccccc1 ZINC000848416136 1334712538 /nfs/dbraw/zinc/71/25/38/1334712538.db2.gz ANAYZXFLRJGMOI-KRWDZBQOSA-N 2 1 325.460 2.903 10 30 EFEEMP C[C@H]1C(=NNCCCn2ccnc2)CCC[N@@H+]1Cc1ccccc1 ZINC000848416136 1334712540 /nfs/dbraw/zinc/71/25/40/1334712540.db2.gz ANAYZXFLRJGMOI-KRWDZBQOSA-N 2 1 325.460 2.903 10 30 EFEEMP C[NH+](C)CCOc1cccc(-c2noc([C@@H]([NH3+])CCCCC#N)n2)c1 ZINC000848622092 1334814614 /nfs/dbraw/zinc/81/46/14/1334814614.db2.gz RKWDHGPUKLPPDL-INIZCTEOSA-N 2 1 343.431 2.761 10 30 EFEEMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001480741832 1337971345 /nfs/dbraw/zinc/97/13/45/1337971345.db2.gz BNJDAMVAZHKERZ-RBUKOAKNSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001366877682 1338152894 /nfs/dbraw/zinc/15/28/94/1338152894.db2.gz YYMZCTVCLQPKGR-SJORKVTESA-N 2 1 341.927 2.640 10 30 EFEEMP C=C(Cl)C[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001366877783 1338154200 /nfs/dbraw/zinc/15/42/00/1338154200.db2.gz GYYYAEUNDPATLO-DLBZAZTESA-N 2 1 341.927 2.640 10 30 EFEEMP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001366877783 1338154201 /nfs/dbraw/zinc/15/42/01/1338154201.db2.gz GYYYAEUNDPATLO-DLBZAZTESA-N 2 1 341.927 2.640 10 30 EFEEMP C=C(Cl)C[N@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001366877783 1338154204 /nfs/dbraw/zinc/15/42/04/1338154204.db2.gz GYYYAEUNDPATLO-DLBZAZTESA-N 2 1 341.927 2.640 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001368127040 1339205828 /nfs/dbraw/zinc/20/58/28/1339205828.db2.gz VYEKASKFPQMZOO-HOTGVXAUSA-N 2 1 327.900 2.582 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001368215255 1339261346 /nfs/dbraw/zinc/26/13/46/1339261346.db2.gz CNRRLZOXXQDLCX-FUHWJXTLSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001368215255 1339261343 /nfs/dbraw/zinc/26/13/43/1339261343.db2.gz CNRRLZOXXQDLCX-FUHWJXTLSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001368215255 1339261348 /nfs/dbraw/zinc/26/13/48/1339261348.db2.gz CNRRLZOXXQDLCX-FUHWJXTLSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001368215255 1339261350 /nfs/dbraw/zinc/26/13/50/1339261350.db2.gz CNRRLZOXXQDLCX-FUHWJXTLSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CCC1 ZINC001368489963 1339427094 /nfs/dbraw/zinc/42/70/94/1339427094.db2.gz NUGVLIITIHYCCL-KRWDZBQOSA-N 2 1 345.890 2.580 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001373038474 1340881560 /nfs/dbraw/zinc/88/15/60/1340881560.db2.gz CYBMGJQLVWLRPS-DOTOQJQBSA-N 2 1 335.879 2.528 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001373038474 1340881562 /nfs/dbraw/zinc/88/15/62/1340881562.db2.gz CYBMGJQLVWLRPS-DOTOQJQBSA-N 2 1 335.879 2.528 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001373041953 1340883048 /nfs/dbraw/zinc/88/30/48/1340883048.db2.gz YOZCGZDVOBQCDU-NVXWUHKLSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001373914753 1341201286 /nfs/dbraw/zinc/20/12/86/1341201286.db2.gz IPGMAKJWZNSYSM-BZUAXINKSA-N 2 1 327.900 2.630 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001374437747 1341921088 /nfs/dbraw/zinc/92/10/88/1341921088.db2.gz DSGNZWXPAHGYFA-HZPDHXFCSA-N 2 1 329.916 2.732 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001376294049 1343463512 /nfs/dbraw/zinc/46/35/12/1343463512.db2.gz SYCIQGOZUACHCO-IXDOHACOSA-N 2 1 341.927 2.640 10 30 EFEEMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001376946772 1343976415 /nfs/dbraw/zinc/97/64/15/1343976415.db2.gz OWCCDWVSQVFCOE-HOTGVXAUSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001376946772 1343976410 /nfs/dbraw/zinc/97/64/10/1343976410.db2.gz OWCCDWVSQVFCOE-HOTGVXAUSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001376946772 1343976411 /nfs/dbraw/zinc/97/64/11/1343976411.db2.gz OWCCDWVSQVFCOE-HOTGVXAUSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001376946772 1343976413 /nfs/dbraw/zinc/97/64/13/1343976413.db2.gz OWCCDWVSQVFCOE-HOTGVXAUSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)CN(C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001377637479 1344246221 /nfs/dbraw/zinc/24/62/21/1344246221.db2.gz FJNJVQHBCMHUDT-DLBZAZTESA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001377637479 1344246222 /nfs/dbraw/zinc/24/62/22/1344246222.db2.gz FJNJVQHBCMHUDT-DLBZAZTESA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001377637479 1344246226 /nfs/dbraw/zinc/24/62/26/1344246226.db2.gz FJNJVQHBCMHUDT-DLBZAZTESA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001377637479 1344246229 /nfs/dbraw/zinc/24/62/29/1344246229.db2.gz FJNJVQHBCMHUDT-DLBZAZTESA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001377637479 1344246231 /nfs/dbraw/zinc/24/62/31/1344246231.db2.gz FJNJVQHBCMHUDT-DLBZAZTESA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC001377643056 1344254453 /nfs/dbraw/zinc/25/44/53/1344254453.db2.gz VIFXCZYYNMOZHK-HOTGVXAUSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC001377643056 1344254456 /nfs/dbraw/zinc/25/44/56/1344254456.db2.gz VIFXCZYYNMOZHK-HOTGVXAUSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001377643056 1344254462 /nfs/dbraw/zinc/25/44/62/1344254462.db2.gz VIFXCZYYNMOZHK-HOTGVXAUSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001377643056 1344254466 /nfs/dbraw/zinc/25/44/66/1344254466.db2.gz VIFXCZYYNMOZHK-HOTGVXAUSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001377764647 1344414926 /nfs/dbraw/zinc/41/49/26/1344414926.db2.gz JFQVGPBNUGXFFW-SJORKVTESA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001377764647 1344414929 /nfs/dbraw/zinc/41/49/29/1344414929.db2.gz JFQVGPBNUGXFFW-SJORKVTESA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001377764647 1344414933 /nfs/dbraw/zinc/41/49/33/1344414933.db2.gz JFQVGPBNUGXFFW-SJORKVTESA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001377774404 1344423020 /nfs/dbraw/zinc/42/30/20/1344423020.db2.gz XOCSCDBOXJYJTB-HZPDHXFCSA-N 2 1 329.916 2.640 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001377814987 1344467518 /nfs/dbraw/zinc/46/75/18/1344467518.db2.gz GIYQLKQSEQCRCJ-CABCVRRESA-N 2 1 329.916 2.876 10 30 EFEEMP C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001377846063 1344502908 /nfs/dbraw/zinc/50/29/08/1344502908.db2.gz ADYDWNDIEJPEPK-HZPDHXFCSA-N 2 1 344.503 2.519 10 30 EFEEMP C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001377860497 1344521633 /nfs/dbraw/zinc/52/16/33/1344521633.db2.gz VMSBPKWBSLVGQF-JKSUJKDBSA-N 2 1 344.503 2.519 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001378872520 1345381540 /nfs/dbraw/zinc/38/15/40/1345381540.db2.gz QIUMKUNSDFGDKM-SZMVWBNQSA-N 2 1 349.906 2.916 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)CC[NH+]3CCCCC3)CCC[C@H]12 ZINC001379612157 1345926654 /nfs/dbraw/zinc/92/66/54/1345926654.db2.gz CXVHDBLTCAIPNN-WMZOPIPTSA-N 2 1 339.911 2.728 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)CC[NH+]3CCCCC3)CCC[C@H]12 ZINC001379612157 1345926656 /nfs/dbraw/zinc/92/66/56/1345926656.db2.gz CXVHDBLTCAIPNN-WMZOPIPTSA-N 2 1 339.911 2.728 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001380443572 1347674942 /nfs/dbraw/zinc/67/49/42/1347674942.db2.gz QEVNNAUHPGXIFF-IEBWSBKVSA-N 2 1 349.906 2.870 10 30 EFEEMP CC(C)[N@@H+](C)CC(=O)N[C@H](C[NH2+]Cc1ccccc1C#N)C(C)(C)C ZINC001382541768 1349008170 /nfs/dbraw/zinc/00/81/70/1349008170.db2.gz SDGBXOQWIDLDFZ-GOSISDBHSA-N 2 1 344.503 2.519 10 30 EFEEMP C=C(Cl)CN1CCC(N(C)C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001389334935 1353311552 /nfs/dbraw/zinc/31/15/52/1353311552.db2.gz MDMODEUEOFTBOJ-OAHLLOKOSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001389334935 1353311559 /nfs/dbraw/zinc/31/15/59/1353311559.db2.gz MDMODEUEOFTBOJ-OAHLLOKOSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001389334935 1353311564 /nfs/dbraw/zinc/31/15/64/1353311564.db2.gz MDMODEUEOFTBOJ-OAHLLOKOSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001436495381 1387268334 /nfs/dbraw/zinc/26/83/34/1387268334.db2.gz LOKUFNRBYMTDBE-KRWDZBQOSA-N 2 1 341.927 2.928 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001436495381 1387268335 /nfs/dbraw/zinc/26/83/35/1387268335.db2.gz LOKUFNRBYMTDBE-KRWDZBQOSA-N 2 1 341.927 2.928 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)C1 ZINC001392962545 1356469314 /nfs/dbraw/zinc/46/93/14/1356469314.db2.gz OLKAOHLPJFSXNV-IRXDYDNUSA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001392962545 1356469317 /nfs/dbraw/zinc/46/93/17/1356469317.db2.gz OLKAOHLPJFSXNV-IRXDYDNUSA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001392962545 1356469321 /nfs/dbraw/zinc/46/93/21/1356469321.db2.gz OLKAOHLPJFSXNV-IRXDYDNUSA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C1CCCC1 ZINC001393074195 1356563109 /nfs/dbraw/zinc/56/31/09/1356563109.db2.gz UQNNBLLECSGDNL-IRXDYDNUSA-N 2 1 341.927 2.878 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001402205760 1363518451 /nfs/dbraw/zinc/51/84/51/1363518451.db2.gz HRCZMWXZGQRVHM-JZXOWHBKSA-N 2 1 341.927 2.688 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001402205760 1363518453 /nfs/dbraw/zinc/51/84/53/1363518453.db2.gz HRCZMWXZGQRVHM-JZXOWHBKSA-N 2 1 341.927 2.688 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001402205760 1363518456 /nfs/dbraw/zinc/51/84/56/1363518456.db2.gz HRCZMWXZGQRVHM-JZXOWHBKSA-N 2 1 341.927 2.688 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001402205760 1363518460 /nfs/dbraw/zinc/51/84/60/1363518460.db2.gz HRCZMWXZGQRVHM-JZXOWHBKSA-N 2 1 341.927 2.688 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001437048698 1387388377 /nfs/dbraw/zinc/38/83/77/1387388377.db2.gz JEBNCHLDNLJIPD-IAGOWNOFSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001397034844 1359626531 /nfs/dbraw/zinc/62/65/31/1359626531.db2.gz FFVNTJFJGNHHOH-KFWWJZLASA-N 2 1 338.883 2.634 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001398757806 1360766531 /nfs/dbraw/zinc/76/65/31/1360766531.db2.gz DVLYVNJFWIRQJU-JKSUJKDBSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC001401304793 1362650576 /nfs/dbraw/zinc/65/05/76/1362650576.db2.gz QYUDERWFYQWOIQ-NVXWUHKLSA-N 2 1 341.927 2.735 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC001401304791 1362650610 /nfs/dbraw/zinc/65/06/10/1362650610.db2.gz QYUDERWFYQWOIQ-DOTOQJQBSA-N 2 1 341.927 2.735 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C1CCCC1 ZINC001402107972 1363414828 /nfs/dbraw/zinc/41/48/28/1363414828.db2.gz RDSOTUZBAHYHKW-DLBZAZTESA-N 2 1 341.927 2.878 10 30 EFEEMP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001402788355 1364035466 /nfs/dbraw/zinc/03/54/66/1364035466.db2.gz XGHJPLQLNVULME-OAHLLOKOSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001403603648 1364808641 /nfs/dbraw/zinc/80/86/41/1364808641.db2.gz AGMBPPKKXORRFQ-DOTOQJQBSA-N 2 1 337.895 2.868 10 30 EFEEMP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001404617082 1365718828 /nfs/dbraw/zinc/71/88/28/1365718828.db2.gz JQGONRYUGYXXFX-QGZVFWFLSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[NH+](C)CC1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001404617082 1365718832 /nfs/dbraw/zinc/71/88/32/1365718832.db2.gz JQGONRYUGYXXFX-QGZVFWFLSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[NH+](C)CC1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001404617082 1365718835 /nfs/dbraw/zinc/71/88/35/1365718835.db2.gz JQGONRYUGYXXFX-QGZVFWFLSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001408292704 1369785869 /nfs/dbraw/zinc/78/58/69/1369785869.db2.gz LECBLCBLGRMWOJ-HOTGVXAUSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)CN1CC[C@H](N(CCC)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001437888939 1388179050 /nfs/dbraw/zinc/17/90/50/1388179050.db2.gz GLPZVNDXIQNMCV-IRXDYDNUSA-N 2 1 341.927 2.926 10 30 EFEEMP C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001417960475 1373457446 /nfs/dbraw/zinc/45/74/46/1373457446.db2.gz SYYSQWZTZWXPLJ-UHFFFAOYSA-N 2 1 339.911 2.538 10 30 EFEEMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001418696897 1374381481 /nfs/dbraw/zinc/38/14/81/1374381481.db2.gz FFVNTJFJGNHHOH-RBSFLKMASA-N 2 1 338.883 2.634 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001418732635 1374434773 /nfs/dbraw/zinc/43/47/73/1374434773.db2.gz ISLMJUPNDXQKSE-PVAVHDDUSA-N 2 1 341.927 2.828 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001419328877 1375110482 /nfs/dbraw/zinc/11/04/82/1375110482.db2.gz WDLRJELBFNSBLU-IRXDYDNUSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001419328877 1375110490 /nfs/dbraw/zinc/11/04/90/1375110490.db2.gz WDLRJELBFNSBLU-IRXDYDNUSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001419626022 1375574428 /nfs/dbraw/zinc/57/44/28/1375574428.db2.gz RPHBMYSRQSCBDH-HOTGVXAUSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001421008276 1378014532 /nfs/dbraw/zinc/01/45/32/1378014532.db2.gz PYJBWPOXRZPEOS-IAGOWNOFSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001421008276 1378014536 /nfs/dbraw/zinc/01/45/36/1378014536.db2.gz PYJBWPOXRZPEOS-IAGOWNOFSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001421010407 1378017084 /nfs/dbraw/zinc/01/70/84/1378017084.db2.gz ZFEMYTOVIMHGNE-IAGOWNOFSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@]1(NC(=O)Cn2c[nH+]cc2C)CCCC[C@@H]1C ZINC001438434653 1388597416 /nfs/dbraw/zinc/59/74/16/1388597416.db2.gz YTDBIEWBQUEOPZ-GUYCJALGSA-N 2 1 338.883 2.599 10 30 EFEEMP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001422066020 1379565374 /nfs/dbraw/zinc/56/53/74/1379565374.db2.gz FZEJYDLPIBAUNX-UHFFFAOYSA-N 2 1 338.883 2.695 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001425583369 1383697329 /nfs/dbraw/zinc/69/73/29/1383697329.db2.gz ZLBSHNCANCHQCJ-ZIAGYGMSSA-N 2 1 326.872 2.586 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C(C)(C)C ZINC001426134129 1384016720 /nfs/dbraw/zinc/01/67/20/1384016720.db2.gz INWQFNNJSMQURB-CVEARBPZSA-N 2 1 343.943 2.980 10 30 EFEEMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001506812585 1406294554 /nfs/dbraw/zinc/29/45/54/1406294554.db2.gz KAGBMOMOYHICHB-LDLYASANSA-N 2 1 347.547 2.759 10 30 EFEEMP C=CCCCCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001506864492 1406368828 /nfs/dbraw/zinc/36/88/28/1406368828.db2.gz FNYWBXLFOXCHBF-GOSISDBHSA-N 2 1 333.520 2.609 10 30 EFEEMP C=CCCCCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001506864492 1406368835 /nfs/dbraw/zinc/36/88/35/1406368835.db2.gz FNYWBXLFOXCHBF-GOSISDBHSA-N 2 1 333.520 2.609 10 30 EFEEMP C=CCCCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001506864492 1406368843 /nfs/dbraw/zinc/36/88/43/1406368843.db2.gz FNYWBXLFOXCHBF-GOSISDBHSA-N 2 1 333.520 2.609 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001506866329 1406374042 /nfs/dbraw/zinc/37/40/42/1406374042.db2.gz VDXBAJDEEJBZIO-LJQANCHMSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCCC2(CN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001506867855 1406380116 /nfs/dbraw/zinc/38/01/16/1406380116.db2.gz ZUKLCOPSPMRCOE-SFHVURJKSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001506867855 1406380125 /nfs/dbraw/zinc/38/01/25/1406380125.db2.gz ZUKLCOPSPMRCOE-SFHVURJKSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001506867855 1406380135 /nfs/dbraw/zinc/38/01/35/1406380135.db2.gz ZUKLCOPSPMRCOE-SFHVURJKSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC001506869118 1406385601 /nfs/dbraw/zinc/38/56/01/1406385601.db2.gz YQLXULNDUNTLKZ-SESVDKBCSA-N 2 1 347.547 2.996 10 30 EFEEMP C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC001506869118 1406385614 /nfs/dbraw/zinc/38/56/14/1406385614.db2.gz YQLXULNDUNTLKZ-SESVDKBCSA-N 2 1 347.547 2.996 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001440731447 1389853205 /nfs/dbraw/zinc/85/32/05/1389853205.db2.gz JRNDZKDZRDNNEH-CVEARBPZSA-N 2 1 327.900 2.535 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001440731447 1389853210 /nfs/dbraw/zinc/85/32/10/1389853210.db2.gz JRNDZKDZRDNNEH-CVEARBPZSA-N 2 1 327.900 2.535 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001440731447 1389853214 /nfs/dbraw/zinc/85/32/14/1389853214.db2.gz JRNDZKDZRDNNEH-CVEARBPZSA-N 2 1 327.900 2.535 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001440731447 1389853217 /nfs/dbraw/zinc/85/32/17/1389853217.db2.gz JRNDZKDZRDNNEH-CVEARBPZSA-N 2 1 327.900 2.535 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)C(C)C ZINC001441406549 1391287144 /nfs/dbraw/zinc/28/71/44/1391287144.db2.gz YTKLIZTZXIKMLO-HZPDHXFCSA-N 2 1 329.916 2.732 10 30 EFEEMP C#CCC[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001506958362 1406501229 /nfs/dbraw/zinc/50/12/29/1406501229.db2.gz RXQVUOCBOOVFPZ-SFHVURJKSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CCC[NH+](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001506958362 1406501235 /nfs/dbraw/zinc/50/12/35/1406501235.db2.gz RXQVUOCBOOVFPZ-SFHVURJKSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CCC[NH+](C)C1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001506958362 1406501240 /nfs/dbraw/zinc/50/12/40/1406501240.db2.gz RXQVUOCBOOVFPZ-SFHVURJKSA-N 2 1 345.531 2.587 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+]1CCCC1 ZINC001447036702 1391665421 /nfs/dbraw/zinc/66/54/21/1391665421.db2.gz GUELCWGQWVEFGB-DLBZAZTESA-N 2 1 339.911 2.680 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+]1CCCC1 ZINC001447036702 1391665423 /nfs/dbraw/zinc/66/54/23/1391665423.db2.gz GUELCWGQWVEFGB-DLBZAZTESA-N 2 1 339.911 2.680 10 30 EFEEMP C=CCC[N@H+](C)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001506966682 1406521744 /nfs/dbraw/zinc/52/17/44/1406521744.db2.gz CRKXXKJJTVNAGX-UHFFFAOYSA-N 2 1 329.488 2.861 10 30 EFEEMP C#CC[NH2+]CCC[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC001506978578 1406538900 /nfs/dbraw/zinc/53/89/00/1406538900.db2.gz ADJIYBJOVJLSNI-UXHICEINSA-N 2 1 341.499 2.721 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)C(C)C ZINC001448217903 1392025472 /nfs/dbraw/zinc/02/54/72/1392025472.db2.gz PAPZIGHZOOQZSN-GDBMZVCRSA-N 2 1 329.916 2.543 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001479246303 1397638513 /nfs/dbraw/zinc/63/85/13/1397638513.db2.gz MQNWGYVFCMCIFX-QFBILLFUSA-N 2 1 339.499 2.698 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001479246303 1397638517 /nfs/dbraw/zinc/63/85/17/1397638517.db2.gz MQNWGYVFCMCIFX-QFBILLFUSA-N 2 1 339.499 2.698 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001479246303 1397638521 /nfs/dbraw/zinc/63/85/21/1397638521.db2.gz MQNWGYVFCMCIFX-QFBILLFUSA-N 2 1 339.499 2.698 10 30 EFEEMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001479423909 1397722723 /nfs/dbraw/zinc/72/27/23/1397722723.db2.gz CQMZMMGICLXITE-ZCNNSNEGSA-N 2 1 343.515 2.877 10 30 EFEEMP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001479487051 1397735623 /nfs/dbraw/zinc/73/56/23/1397735623.db2.gz PUOSUJMTBLKCPL-SXLOBPIMSA-N 2 1 341.499 2.577 10 30 EFEEMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)[C@H]1CC ZINC001479645955 1397759532 /nfs/dbraw/zinc/75/95/32/1397759532.db2.gz WSXFZFFYOVMLQI-XUVXKRRUSA-N 2 1 341.499 2.672 10 30 EFEEMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)[C@H]1CC ZINC001479645955 1397759541 /nfs/dbraw/zinc/75/95/41/1397759541.db2.gz WSXFZFFYOVMLQI-XUVXKRRUSA-N 2 1 341.499 2.672 10 30 EFEEMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)[C@H]1CC ZINC001479645955 1397759542 /nfs/dbraw/zinc/75/95/42/1397759542.db2.gz WSXFZFFYOVMLQI-XUVXKRRUSA-N 2 1 341.499 2.672 10 30 EFEEMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)[C@H]1CC ZINC001479645955 1397759544 /nfs/dbraw/zinc/75/95/44/1397759544.db2.gz WSXFZFFYOVMLQI-XUVXKRRUSA-N 2 1 341.499 2.672 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001479744995 1397801899 /nfs/dbraw/zinc/80/18/99/1397801899.db2.gz JHNDMJWFGJERSF-GOSISDBHSA-N 2 1 335.536 2.901 10 30 EFEEMP C#CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001479830371 1397925520 /nfs/dbraw/zinc/92/55/20/1397925520.db2.gz HPWIMWPZTLMNFF-AZUAARDMSA-N 2 1 341.499 2.501 10 30 EFEEMP C#CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001479830371 1397925524 /nfs/dbraw/zinc/92/55/24/1397925524.db2.gz HPWIMWPZTLMNFF-AZUAARDMSA-N 2 1 341.499 2.501 10 30 EFEEMP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001479981242 1398067248 /nfs/dbraw/zinc/06/72/48/1398067248.db2.gz NLFMDAZHAFPJCF-KSZLIROESA-N 2 1 333.520 2.654 10 30 EFEEMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001480086411 1398122887 /nfs/dbraw/zinc/12/28/87/1398122887.db2.gz XVRIGEYVBDAJNI-LPHOPBHVSA-N 2 1 339.499 2.555 10 30 EFEEMP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001480086411 1398122892 /nfs/dbraw/zinc/12/28/92/1398122892.db2.gz XVRIGEYVBDAJNI-LPHOPBHVSA-N 2 1 339.499 2.555 10 30 EFEEMP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001480086411 1398122898 /nfs/dbraw/zinc/12/28/98/1398122898.db2.gz XVRIGEYVBDAJNI-LPHOPBHVSA-N 2 1 339.499 2.555 10 30 EFEEMP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]21 ZINC001507361164 1406952877 /nfs/dbraw/zinc/95/28/77/1406952877.db2.gz AUWPGNAAQQXAKG-OKZBNKHCSA-N 2 1 335.536 2.757 10 30 EFEEMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001493150209 1398481576 /nfs/dbraw/zinc/48/15/76/1398481576.db2.gz TZZSWSNRTUYJKF-MOPGFXCFSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001493150209 1398481581 /nfs/dbraw/zinc/48/15/81/1398481581.db2.gz TZZSWSNRTUYJKF-MOPGFXCFSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001493150209 1398481586 /nfs/dbraw/zinc/48/15/86/1398481586.db2.gz TZZSWSNRTUYJKF-MOPGFXCFSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001493150209 1398481592 /nfs/dbraw/zinc/48/15/92/1398481592.db2.gz TZZSWSNRTUYJKF-MOPGFXCFSA-N 2 1 329.488 2.836 10 30 EFEEMP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001493838342 1398913617 /nfs/dbraw/zinc/91/36/17/1398913617.db2.gz YEUNNIXDEGJRFV-SFHVURJKSA-N 2 1 347.547 2.881 10 30 EFEEMP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001493849774 1398921684 /nfs/dbraw/zinc/92/16/84/1398921684.db2.gz KBCWFRHDTNMOAK-VQIMIIECSA-N 2 1 329.488 2.692 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC1=CCCCC1)C(C)C ZINC001493860593 1398931223 /nfs/dbraw/zinc/93/12/23/1398931223.db2.gz KQNIQSJGZMWSCD-FQEVSTJZSA-N 2 1 345.531 2.801 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC1=CCCCC1)C(C)C ZINC001493860593 1398931226 /nfs/dbraw/zinc/93/12/26/1398931226.db2.gz KQNIQSJGZMWSCD-FQEVSTJZSA-N 2 1 345.531 2.801 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC1=CCCCC1)C(C)C ZINC001493860593 1398931228 /nfs/dbraw/zinc/93/12/28/1398931228.db2.gz KQNIQSJGZMWSCD-FQEVSTJZSA-N 2 1 345.531 2.801 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC1=CCCCC1)C(C)C ZINC001493860593 1398931230 /nfs/dbraw/zinc/93/12/30/1398931230.db2.gz KQNIQSJGZMWSCD-FQEVSTJZSA-N 2 1 345.531 2.801 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC001493888147 1398954216 /nfs/dbraw/zinc/95/42/16/1398954216.db2.gz CXCXNFZCHFCCCR-OIISXLGYSA-N 2 1 335.879 2.526 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC001493888147 1398954221 /nfs/dbraw/zinc/95/42/21/1398954221.db2.gz CXCXNFZCHFCCCR-OIISXLGYSA-N 2 1 335.879 2.526 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC001493888501 1398955187 /nfs/dbraw/zinc/95/51/87/1398955187.db2.gz ISSDFFLNPMEHRW-QZTJIDSGSA-N 2 1 347.890 2.528 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001494146552 1399166410 /nfs/dbraw/zinc/16/64/10/1399166410.db2.gz VAYLMZKQUGNODW-MOPGFXCFSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCC[C@H](C)[N@H+](C)CC1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001494213125 1399217387 /nfs/dbraw/zinc/21/73/87/1399217387.db2.gz DYEAQUFHDBVHOS-INIZCTEOSA-N 2 1 332.492 2.717 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](C)CC1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001494213125 1399217390 /nfs/dbraw/zinc/21/73/90/1399217390.db2.gz DYEAQUFHDBVHOS-INIZCTEOSA-N 2 1 332.492 2.717 10 30 EFEEMP C=C(Cl)C[N@H+](C)CC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001494213750 1399217569 /nfs/dbraw/zinc/21/75/69/1399217569.db2.gz AURFYCXZRUDGKM-HOTGVXAUSA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001494301547 1399267845 /nfs/dbraw/zinc/26/78/45/1399267845.db2.gz LQBHDQOOWMOVAB-RTBURBONSA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001494301547 1399267848 /nfs/dbraw/zinc/26/78/48/1399267848.db2.gz LQBHDQOOWMOVAB-RTBURBONSA-N 2 1 329.488 2.836 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCC(C)(C)C)C2)CC1 ZINC001494301349 1399267857 /nfs/dbraw/zinc/26/78/57/1399267857.db2.gz AHLONKPPQWWVDC-LJQANCHMSA-N 2 1 347.547 2.739 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001494330706 1399282377 /nfs/dbraw/zinc/28/23/77/1399282377.db2.gz CISDTLAWIFPMJK-OALUTQOASA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001494330706 1399282381 /nfs/dbraw/zinc/28/23/81/1399282381.db2.gz CISDTLAWIFPMJK-OALUTQOASA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001494828251 1399489267 /nfs/dbraw/zinc/48/92/67/1399489267.db2.gz QUIZVBRWBFFTPX-IRXDYDNUSA-N 2 1 332.492 2.896 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001494828251 1399489269 /nfs/dbraw/zinc/48/92/69/1399489269.db2.gz QUIZVBRWBFFTPX-IRXDYDNUSA-N 2 1 332.492 2.896 10 30 EFEEMP C=C(Cl)C[NH2+]CC1(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CCCC1 ZINC001495167129 1399710523 /nfs/dbraw/zinc/71/05/23/1399710523.db2.gz FQDDBTABFKMUNP-HZPDHXFCSA-N 2 1 339.911 2.774 10 30 EFEEMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1(C)C ZINC001507443310 1407059178 /nfs/dbraw/zinc/05/91/78/1407059178.db2.gz OBMWRCYNARGOFA-FUHWJXTLSA-N 2 1 344.503 2.547 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CC/C=C/CC)C1 ZINC001495364404 1399908901 /nfs/dbraw/zinc/90/89/01/1399908901.db2.gz WBEXVKFUDHQVQM-KPDZFXRVSA-N 2 1 345.531 2.659 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CC/C=C/CC)C1 ZINC001495364404 1399908903 /nfs/dbraw/zinc/90/89/03/1399908903.db2.gz WBEXVKFUDHQVQM-KPDZFXRVSA-N 2 1 345.531 2.659 10 30 EFEEMP C=CCCC[NH2+]C[C@@H](C)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001495742929 1400217048 /nfs/dbraw/zinc/21/70/48/1400217048.db2.gz LDJNZCXWGQMJOG-QAPCUYQASA-N 2 1 327.488 2.507 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001496379376 1400687084 /nfs/dbraw/zinc/68/70/84/1400687084.db2.gz YTHZOVCJKFAWPE-AZUAARDMSA-N 2 1 343.515 2.911 10 30 EFEEMP 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C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](CCC)C1 ZINC001566851346 1415798866 /nfs/dbraw/zinc/79/88/66/1415798866.db2.gz MLLVWYVQQPQYEQ-LJQANCHMSA-N 2 1 329.488 2.617 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001567124588 1415942392 /nfs/dbraw/zinc/94/23/92/1415942392.db2.gz JZPDDBZNLDWXNB-QZTJIDSGSA-N 2 1 333.520 2.655 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCC1CCCCCC1 ZINC001567219671 1415999837 /nfs/dbraw/zinc/99/98/37/1415999837.db2.gz XVCMTOSHMHQZBK-QUCCMNQESA-N 2 1 347.547 2.929 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCC1CCCCCC1 ZINC001567219671 1415999838 /nfs/dbraw/zinc/99/98/38/1415999838.db2.gz XVCMTOSHMHQZBK-QUCCMNQESA-N 2 1 347.547 2.929 10 30 EFEEMP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001567263706 1416040265 /nfs/dbraw/zinc/04/02/65/1416040265.db2.gz ZUNIKYWQEYAWKN-OALUTQOASA-N 2 1 333.520 2.633 10 30 EFEEMP CC#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C 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YOXKQJVCKBAPPD-OALUTQOASA-N 2 1 329.488 2.884 10 30 EFEEMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001567660334 1416235074 /nfs/dbraw/zinc/23/50/74/1416235074.db2.gz YOXKQJVCKBAPPD-MOPGFXCFSA-N 2 1 329.488 2.884 10 30 EFEEMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001567664439 1416236947 /nfs/dbraw/zinc/23/69/47/1416236947.db2.gz XRRSCETZBFKTGX-WDSOQIARSA-N 2 1 329.488 2.740 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001567683587 1416246060 /nfs/dbraw/zinc/24/60/60/1416246060.db2.gz XYRLXQOCEQMZRC-RBUKOAKNSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCCCC[N@H+](C)C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001567735964 1416264848 /nfs/dbraw/zinc/26/48/48/1416264848.db2.gz HSLJIFLYHZXDJU-SFHVURJKSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCCCCC[NH+]1CC(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001567841036 1416295213 /nfs/dbraw/zinc/29/52/13/1416295213.db2.gz NHXJCQXEUNXWJX-GOSISDBHSA-N 2 1 344.503 2.548 10 30 EFEEMP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001567861854 1416302050 /nfs/dbraw/zinc/30/20/50/1416302050.db2.gz FDSTYWOBOPSQSM-OALUTQOASA-N 2 1 327.472 2.613 10 30 EFEEMP C#CCC[NH2+]C[C@]1(NC(=O)CCCn2cc[nH+]c2C)CCCC[C@H]1C ZINC001568039766 1416370997 /nfs/dbraw/zinc/37/09/97/1416370997.db2.gz GSLZKXBJZMVXKJ-YLJYHZDGSA-N 2 1 344.503 2.650 10 30 EFEEMP C#CCC[NH2+]C[C@@]1(NC(=O)CCCn2cc[nH+]c2C)CCCC[C@H]1C ZINC001568039765 1416371078 /nfs/dbraw/zinc/37/10/78/1416371078.db2.gz GSLZKXBJZMVXKJ-XLIONFOSSA-N 2 1 344.503 2.650 10 30 EFEEMP CC#CC[NH+]1CCC(CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001568126484 1416420276 /nfs/dbraw/zinc/42/02/76/1416420276.db2.gz FMLRDEQIHDHQQP-UHFFFAOYSA-N 2 1 347.547 2.881 10 30 EFEEMP C=CCC[NH+]1CCC(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001568130003 1416420583 /nfs/dbraw/zinc/42/05/83/1416420583.db2.gz PINYJVVTJUQYLG-RTBURBONSA-N 2 1 333.520 2.798 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC001568348848 1416485965 /nfs/dbraw/zinc/48/59/65/1416485965.db2.gz KLVBOKHSUXXLGX-PKOBYXMFSA-N 2 1 335.536 2.949 10 30 EFEEMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001688066179 1416918558 /nfs/dbraw/zinc/91/85/58/1416918558.db2.gz IUJRNKIXEDMADF-MOPGFXCFSA-N 2 1 333.520 2.748 10 30 EFEEMP C=CCC[C@H](C)[N@H+](C)CCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001689840864 1417085128 /nfs/dbraw/zinc/08/51/28/1417085128.db2.gz PEXXRFJIAQYTNJ-RDJZCZTQSA-N 2 1 332.492 2.547 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001689840864 1417085134 /nfs/dbraw/zinc/08/51/34/1417085134.db2.gz PEXXRFJIAQYTNJ-RDJZCZTQSA-N 2 1 332.492 2.547 10 30 EFEEMP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001690128432 1417160982 /nfs/dbraw/zinc/16/09/82/1417160982.db2.gz OXMMVVZCAOGYGW-GOSISDBHSA-N 2 1 344.503 2.909 10 30 EFEEMP CC#CC[NH+]1CCC(N(CCC)C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001690135882 1417163228 /nfs/dbraw/zinc/16/32/28/1417163228.db2.gz 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C=C(C)CC[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[N@H+](C)C(C)C ZINC001707189557 1418227760 /nfs/dbraw/zinc/22/77/60/1418227760.db2.gz ULFHWNTVFQTSSW-NZSAHSFTSA-N 2 1 335.536 2.898 10 30 EFEEMP C=C(C)CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+](C)C(C)C ZINC001707189557 1418227766 /nfs/dbraw/zinc/22/77/66/1418227766.db2.gz ULFHWNTVFQTSSW-NZSAHSFTSA-N 2 1 335.536 2.898 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+](C)C(C)C ZINC001707189557 1418227772 /nfs/dbraw/zinc/22/77/72/1418227772.db2.gz ULFHWNTVFQTSSW-NZSAHSFTSA-N 2 1 335.536 2.898 10 30 EFEEMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001713144597 1418335831 /nfs/dbraw/zinc/33/58/31/1418335831.db2.gz UZEGCQDHYWPVDL-ZSYWTGECSA-N 2 1 333.520 2.748 10 30 EFEEMP C=CC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001713184420 1418364459 /nfs/dbraw/zinc/36/44/59/1418364459.db2.gz HZKFLCNOIKWSEH-UXHICEINSA-N 2 1 341.499 2.617 10 30 EFEEMP 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ZINC001713215818 1418386454 /nfs/dbraw/zinc/38/64/54/1418386454.db2.gz SLUQSZMFQYXJGQ-ZBWOGFRMSA-N 2 1 345.531 2.659 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC/C=C/CCC)C1 ZINC001713215818 1418386459 /nfs/dbraw/zinc/38/64/59/1418386459.db2.gz SLUQSZMFQYXJGQ-ZBWOGFRMSA-N 2 1 345.531 2.659 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC/C=C/CCC)C1 ZINC001713215818 1418386463 /nfs/dbraw/zinc/38/64/63/1418386463.db2.gz SLUQSZMFQYXJGQ-ZBWOGFRMSA-N 2 1 345.531 2.659 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713223712 1418395438 /nfs/dbraw/zinc/39/54/38/1418395438.db2.gz FWZFZEUGTQXNJD-RTBURBONSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001713224668 1418397637 /nfs/dbraw/zinc/39/76/37/1418397637.db2.gz ZPBPJEOYEFCXBU-RTBURBONSA-N 2 1 335.536 2.901 10 30 EFEEMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001713257255 1418426437 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IJWAAKLVFNEEPG-OALUTQOASA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001713278471 1418447802 /nfs/dbraw/zinc/44/78/02/1418447802.db2.gz SHNVBPSLLVMQAF-OALUTQOASA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001713282948 1418452245 /nfs/dbraw/zinc/45/22/45/1418452245.db2.gz QFJYWFQWVSIWCF-LFDJNIOPSA-N 2 1 333.520 2.652 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001713282949 1418452414 /nfs/dbraw/zinc/45/24/14/1418452414.db2.gz QFJYWFQWVSIWCF-LTFXXXRZSA-N 2 1 333.520 2.652 10 30 EFEEMP C=CC[NH2+]C1CCC(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001713291630 1418458129 /nfs/dbraw/zinc/45/81/29/1418458129.db2.gz SCRBUWSZNSZVRJ-CTWPCTMYSA-N 2 1 329.488 2.882 10 30 EFEEMP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001713360609 1418490996 /nfs/dbraw/zinc/49/09/96/1418490996.db2.gz MCKOTOWPXLKMIY-MJGOQNOKSA-N 2 1 329.488 2.694 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001713514554 1418555586 /nfs/dbraw/zinc/55/55/86/1418555586.db2.gz CUUGXTLFQBQGJJ-SJORKVTESA-N 2 1 332.492 2.942 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001713514554 1418555591 /nfs/dbraw/zinc/55/55/91/1418555591.db2.gz CUUGXTLFQBQGJJ-SJORKVTESA-N 2 1 332.492 2.942 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001713721220 1418571429 /nfs/dbraw/zinc/57/14/29/1418571429.db2.gz MGVFDMKTLKXFFN-SJLPKXTDSA-N 2 1 332.492 2.867 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001713721220 1418571431 /nfs/dbraw/zinc/57/14/31/1418571431.db2.gz MGVFDMKTLKXFFN-SJLPKXTDSA-N 2 1 332.492 2.867 10 30 EFEEMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)CCCn1cc[nH+]c1C)CC2 ZINC001715314992 1418662921 /nfs/dbraw/zinc/66/29/21/1418662921.db2.gz KHCZWYOBMMLIKT-UHFFFAOYSA-N 2 1 344.503 2.862 10 30 EFEEMP C=CCCC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCCCC1 ZINC001715397504 1418669891 /nfs/dbraw/zinc/66/98/91/1418669891.db2.gz BDQVVODQBHVDJC-QRQLOZEOSA-N 2 1 335.536 2.948 10 30 EFEEMP C=CCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCCCC1 ZINC001715397503 1418670059 /nfs/dbraw/zinc/67/00/59/1418670059.db2.gz BDQVVODQBHVDJC-BHIYHBOVSA-N 2 1 335.536 2.948 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@H]21 ZINC001715543913 1418677817 /nfs/dbraw/zinc/67/78/17/1418677817.db2.gz BNUMGDGFQSMAGH-RTBURBONSA-N 2 1 333.520 2.751 10 30 EFEEMP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001715858812 1418690472 /nfs/dbraw/zinc/69/04/72/1418690472.db2.gz DAEKSBZYXMRPDG-OSJSJHBBSA-N 2 1 339.911 2.798 10 30 EFEEMP C=C(C)CC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001716294125 1418755921 /nfs/dbraw/zinc/75/59/21/1418755921.db2.gz QFCPPKDGNGJMJS-MJRGOJFPSA-N 2 1 333.520 2.869 10 30 EFEEMP C=CCCC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)CCC)C1 ZINC001716706519 1418965419 /nfs/dbraw/zinc/96/54/19/1418965419.db2.gz QSJLEAKWFZGOQD-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001716706519 1418965422 /nfs/dbraw/zinc/96/54/22/1418965422.db2.gz QSJLEAKWFZGOQD-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001716706519 1418965426 /nfs/dbraw/zinc/96/54/26/1418965426.db2.gz QSJLEAKWFZGOQD-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C ZINC001716707914 1418966256 /nfs/dbraw/zinc/96/62/56/1418966256.db2.gz ICVUFEWOVMEHPL-XVLXNVKGSA-N 2 1 333.520 2.939 10 30 EFEEMP CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001716708457 1418966637 /nfs/dbraw/zinc/96/66/37/1418966637.db2.gz GEYIMFYSAYJTII-RAFMOHDBSA-N 2 1 345.531 2.774 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001716723308 1418974361 /nfs/dbraw/zinc/97/43/61/1418974361.db2.gz DLQRPJABFGYNGG-YLJYHZDGSA-N 2 1 344.503 2.861 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001716723308 1418974363 /nfs/dbraw/zinc/97/43/63/1418974363.db2.gz DLQRPJABFGYNGG-YLJYHZDGSA-N 2 1 344.503 2.861 10 30 EFEEMP C=CCCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001716730710 1418980754 /nfs/dbraw/zinc/98/07/54/1418980754.db2.gz FUJLILQJNLVYFI-TZIWHRDSSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001716730710 1418980757 /nfs/dbraw/zinc/98/07/57/1418980757.db2.gz FUJLILQJNLVYFI-TZIWHRDSSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001716730710 1418980760 /nfs/dbraw/zinc/98/07/60/1418980760.db2.gz FUJLILQJNLVYFI-TZIWHRDSSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCCCC[NH+]1CC[C@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001716734926 1418984343 /nfs/dbraw/zinc/98/43/43/1418984343.db2.gz GDSLPSROUXIULK-FPOVZHCZSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001716734926 1418984345 /nfs/dbraw/zinc/98/43/45/1418984345.db2.gz GDSLPSROUXIULK-FPOVZHCZSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001716734926 1418984349 /nfs/dbraw/zinc/98/43/49/1418984349.db2.gz GDSLPSROUXIULK-FPOVZHCZSA-N 2 1 347.547 2.999 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001716790877 1419010300 /nfs/dbraw/zinc/01/03/00/1419010300.db2.gz PYVZXPKEOGDKOD-IBGZPJMESA-N 2 1 329.488 2.665 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001716790877 1419010305 /nfs/dbraw/zinc/01/03/05/1419010305.db2.gz PYVZXPKEOGDKOD-IBGZPJMESA-N 2 1 329.488 2.665 10 30 EFEEMP C#CCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)C1CC[NH+](CCC=C)CC1 ZINC001716809954 1419023582 /nfs/dbraw/zinc/02/35/82/1419023582.db2.gz YOHXSZKCTBKQST-LJQANCHMSA-N 2 1 345.531 2.611 10 30 EFEEMP C#CC[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)c1ccc2ccccc2c1 ZINC001716812884 1419025977 /nfs/dbraw/zinc/02/59/77/1419025977.db2.gz UKDCUQSFGUSYHZ-DYESRHJHSA-N 2 1 349.478 2.562 10 30 EFEEMP C=CCCC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001716894480 1419080165 /nfs/dbraw/zinc/08/01/65/1419080165.db2.gz QSCVLZRNAYHQLG-NSHGMRRFSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001716894480 1419080171 /nfs/dbraw/zinc/08/01/71/1419080171.db2.gz QSCVLZRNAYHQLG-NSHGMRRFSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001716894480 1419080176 /nfs/dbraw/zinc/08/01/76/1419080176.db2.gz QSCVLZRNAYHQLG-NSHGMRRFSA-N 2 1 335.536 2.901 10 30 EFEEMP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001717002445 1419138129 /nfs/dbraw/zinc/13/81/29/1419138129.db2.gz ULABHOOFQYEZLM-LWYYNNOASA-N 2 1 345.531 2.539 10 30 EFEEMP C=CCC[C@H](C)[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001717009954 1419145747 /nfs/dbraw/zinc/14/57/47/1419145747.db2.gz MQSMPOYGBDURAM-INDMIFKZSA-N 2 1 333.520 2.604 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001717009954 1419145748 /nfs/dbraw/zinc/14/57/48/1419145748.db2.gz MQSMPOYGBDURAM-INDMIFKZSA-N 2 1 333.520 2.604 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001717009954 1419145753 /nfs/dbraw/zinc/14/57/53/1419145753.db2.gz MQSMPOYGBDURAM-INDMIFKZSA-N 2 1 333.520 2.604 10 30 EFEEMP CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001717009952 1419146157 /nfs/dbraw/zinc/14/61/57/1419146157.db2.gz MPPOIPYYBWFSSB-AKHDSKFASA-N 2 1 335.536 2.687 10 30 EFEEMP CCCCCCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001717009952 1419146159 /nfs/dbraw/zinc/14/61/59/1419146159.db2.gz MPPOIPYYBWFSSB-AKHDSKFASA-N 2 1 335.536 2.687 10 30 EFEEMP CCCCCCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001717009952 1419146163 /nfs/dbraw/zinc/14/61/63/1419146163.db2.gz MPPOIPYYBWFSSB-AKHDSKFASA-N 2 1 335.536 2.687 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001717034113 1419166030 /nfs/dbraw/zinc/16/60/30/1419166030.db2.gz ZLMUTLOMXBLQAX-CEXWTWQISA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001717034113 1419166035 /nfs/dbraw/zinc/16/60/35/1419166035.db2.gz ZLMUTLOMXBLQAX-CEXWTWQISA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001717034113 1419166039 /nfs/dbraw/zinc/16/60/39/1419166039.db2.gz ZLMUTLOMXBLQAX-CEXWTWQISA-N 2 1 333.520 2.892 10 30 EFEEMP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001717036508 1419169535 /nfs/dbraw/zinc/16/95/35/1419169535.db2.gz URKWCMLTFACUSO-UXHICEINSA-N 2 1 345.531 2.730 10 30 EFEEMP CC#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001717036508 1419169537 /nfs/dbraw/zinc/16/95/37/1419169537.db2.gz URKWCMLTFACUSO-UXHICEINSA-N 2 1 345.531 2.730 10 30 EFEEMP CC#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001717036508 1419169540 /nfs/dbraw/zinc/16/95/40/1419169540.db2.gz URKWCMLTFACUSO-UXHICEINSA-N 2 1 345.531 2.730 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001717042910 1419176381 /nfs/dbraw/zinc/17/63/81/1419176381.db2.gz MCLLTPXCLVBRGD-CEXWTWQISA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[N@H+](C)Cc1ccccc1CNC(=O)C12CCC[NH+]1CCC2 ZINC001717112851 1419217504 /nfs/dbraw/zinc/21/75/04/1419217504.db2.gz BHYFUNIENCBMRM-UHFFFAOYSA-N 2 1 341.499 2.939 10 30 EFEEMP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)CCCn2cc[nH+]c2C)cc1 ZINC001717115011 1419219532 /nfs/dbraw/zinc/21/95/32/1419219532.db2.gz IDECJAQYZVBJFW-MRXNPFEDSA-N 2 1 338.455 2.572 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CCCC)cc1 ZINC001717116399 1419220450 /nfs/dbraw/zinc/22/04/50/1419220450.db2.gz UHCVPTNTTAZMQI-PXNSSMCTSA-N 2 1 341.499 2.851 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CCCC)cc1 ZINC001717116399 1419220456 /nfs/dbraw/zinc/22/04/56/1419220456.db2.gz UHCVPTNTTAZMQI-PXNSSMCTSA-N 2 1 341.499 2.851 10 30 EFEEMP C=CCC[N@@H+]1CCc2c(CNC(=O)C3([NH+](C)C)CCC3)cccc2C1 ZINC001717143467 1419235086 /nfs/dbraw/zinc/23/50/86/1419235086.db2.gz KFGDRBMZLOSEIV-UHFFFAOYSA-N 2 1 341.499 2.721 10 30 EFEEMP C=CCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCC1 ZINC001717149959 1419239147 /nfs/dbraw/zinc/23/91/47/1419239147.db2.gz IWPHIEDNIFTOMN-KRWDZBQOSA-N 2 1 333.520 2.846 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCCC(C)(C)C)CC1 ZINC001717196456 1419258198 /nfs/dbraw/zinc/25/81/98/1419258198.db2.gz DWRRJSGDAOAMRJ-OALUTQOASA-N 2 1 347.547 2.881 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCCC(C)(C)C)CC1 ZINC001717196456 1419258200 /nfs/dbraw/zinc/25/82/00/1419258200.db2.gz DWRRJSGDAOAMRJ-OALUTQOASA-N 2 1 347.547 2.881 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCC(C)(C)C)CC1 ZINC001717196456 1419258204 /nfs/dbraw/zinc/25/82/04/1419258204.db2.gz DWRRJSGDAOAMRJ-OALUTQOASA-N 2 1 347.547 2.881 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCC(C)(C)C)CC1 ZINC001717196456 1419258207 /nfs/dbraw/zinc/25/82/07/1419258207.db2.gz DWRRJSGDAOAMRJ-OALUTQOASA-N 2 1 347.547 2.881 10 30 EFEEMP C=C(C)CC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001717297620 1419313266 /nfs/dbraw/zinc/31/32/66/1419313266.db2.gz BLDMSQDLMMIHNS-QZTJIDSGSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC001717310907 1419322757 /nfs/dbraw/zinc/32/27/57/1419322757.db2.gz PWKBPMDCKMJRMG-OKZBNKHCSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC001717310907 1419322760 /nfs/dbraw/zinc/32/27/60/1419322760.db2.gz PWKBPMDCKMJRMG-OKZBNKHCSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC001717310907 1419322763 /nfs/dbraw/zinc/32/27/63/1419322763.db2.gz PWKBPMDCKMJRMG-OKZBNKHCSA-N 2 1 335.536 2.900 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCC=C)CC2(C)C)CC1 ZINC001717313399 1419324158 /nfs/dbraw/zinc/32/41/58/1419324158.db2.gz SSEYSSWCRLKMQZ-IBGZPJMESA-N 2 1 345.531 2.515 10 30 EFEEMP C=CC[NH2+]CC1(c2ccccc2)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001717316275 1419326546 /nfs/dbraw/zinc/32/65/46/1419326546.db2.gz USGGUCHOPSIJFJ-UHFFFAOYSA-N 2 1 343.515 2.663 10 30 EFEEMP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001717356260 1419350424 /nfs/dbraw/zinc/35/04/24/1419350424.db2.gz RMDLQCSOQUHYRH-UHFFFAOYSA-N 2 1 347.547 2.999 10 30 EFEEMP C=C(C)CC[N@H+](CC)CC1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001717357200 1419351415 /nfs/dbraw/zinc/35/14/15/1419351415.db2.gz AYPLKEWGUJUNEC-NRFANRHFSA-N 2 1 347.547 2.999 10 30 EFEEMP C=C(C)CC[NH+](CC)CC1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001717357200 1419351419 /nfs/dbraw/zinc/35/14/19/1419351419.db2.gz AYPLKEWGUJUNEC-NRFANRHFSA-N 2 1 347.547 2.999 10 30 EFEEMP C=C(C)CC[NH+](CC)CC1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001717357200 1419351423 /nfs/dbraw/zinc/35/14/23/1419351423.db2.gz AYPLKEWGUJUNEC-NRFANRHFSA-N 2 1 347.547 2.999 10 30 EFEEMP C#CC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@H+](C)CCCCCC)C2)C1 ZINC001717377464 1419368881 /nfs/dbraw/zinc/36/88/81/1419368881.db2.gz CDSUGAXJZPSLJI-VQTJNVASSA-N 2 1 347.547 2.692 10 30 EFEEMP C#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)CCCCCC)C2)C1 ZINC001717377464 1419368884 /nfs/dbraw/zinc/36/88/84/1419368884.db2.gz CDSUGAXJZPSLJI-VQTJNVASSA-N 2 1 347.547 2.692 10 30 EFEEMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)CCCCCC)C2)C1 ZINC001717377464 1419368887 /nfs/dbraw/zinc/36/88/87/1419368887.db2.gz CDSUGAXJZPSLJI-VQTJNVASSA-N 2 1 347.547 2.692 10 30 EFEEMP C=C(C)C[NH2+]CC1CC(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001717393526 1419376569 /nfs/dbraw/zinc/37/65/69/1419376569.db2.gz AZFGUJFYEALHGD-NKELODKYSA-N 2 1 329.488 2.740 10 30 EFEEMP C#CC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCCCC1 ZINC001717523541 1419426762 /nfs/dbraw/zinc/42/67/62/1419426762.db2.gz UVXPEQXHOIYUOG-SFHVURJKSA-N 2 1 345.531 2.683 10 30 EFEEMP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001717541054 1419435844 /nfs/dbraw/zinc/43/58/44/1419435844.db2.gz URLBTMIPBLMEGB-MRXNPFEDSA-N 2 1 329.916 2.832 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001717541054 1419435846 /nfs/dbraw/zinc/43/58/46/1419435846.db2.gz URLBTMIPBLMEGB-MRXNPFEDSA-N 2 1 329.916 2.832 10 30 EFEEMP C=CCC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001717625097 1419474447 /nfs/dbraw/zinc/47/44/47/1419474447.db2.gz WMBQLSOZWDREEH-KSZLIROESA-N 2 1 335.536 2.757 10 30 EFEEMP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001717625097 1419474448 /nfs/dbraw/zinc/47/44/48/1419474448.db2.gz WMBQLSOZWDREEH-KSZLIROESA-N 2 1 335.536 2.757 10 30 EFEEMP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001717625097 1419474449 /nfs/dbraw/zinc/47/44/49/1419474449.db2.gz WMBQLSOZWDREEH-KSZLIROESA-N 2 1 335.536 2.757 10 30 EFEEMP C=CCC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001717625099 1419474631 /nfs/dbraw/zinc/47/46/31/1419474631.db2.gz WMBQLSOZWDREEH-RCCFBDPRSA-N 2 1 335.536 2.757 10 30 EFEEMP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001717625099 1419474633 /nfs/dbraw/zinc/47/46/33/1419474633.db2.gz WMBQLSOZWDREEH-RCCFBDPRSA-N 2 1 335.536 2.757 10 30 EFEEMP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001717625099 1419474637 /nfs/dbraw/zinc/47/46/37/1419474637.db2.gz WMBQLSOZWDREEH-RCCFBDPRSA-N 2 1 335.536 2.757 10 30 EFEEMP C=CCCCCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001717626397 1419476074 /nfs/dbraw/zinc/47/60/74/1419476074.db2.gz HECKWRXCHTXIJW-SFHVURJKSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCCCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001717626397 1419476076 /nfs/dbraw/zinc/47/60/76/1419476076.db2.gz HECKWRXCHTXIJW-SFHVURJKSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001717626397 1419476077 /nfs/dbraw/zinc/47/60/77/1419476077.db2.gz HECKWRXCHTXIJW-SFHVURJKSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001717647888 1419486640 /nfs/dbraw/zinc/48/66/40/1419486640.db2.gz IIDHPQHKQIRKDR-DKIMLUQUSA-N 2 1 344.503 2.593 10 30 EFEEMP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001717734394 1419530126 /nfs/dbraw/zinc/53/01/26/1419530126.db2.gz CRKUSINXNVOOPM-WOJBJXKFSA-N 2 1 345.531 2.633 10 30 EFEEMP C=CCCC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@H]12 ZINC001717840627 1419570388 /nfs/dbraw/zinc/57/03/88/1419570388.db2.gz LYCGNIJHYLYFLK-CGBFIWBNSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@H]12 ZINC001717840627 1419570390 /nfs/dbraw/zinc/57/03/90/1419570390.db2.gz LYCGNIJHYLYFLK-CGBFIWBNSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CCCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@H]12 ZINC001717840627 1419570391 /nfs/dbraw/zinc/57/03/91/1419570391.db2.gz LYCGNIJHYLYFLK-CGBFIWBNSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CCCC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001717840628 1419570406 /nfs/dbraw/zinc/57/04/06/1419570406.db2.gz LYCGNIJHYLYFLK-GNBUJSLZSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001717840628 1419570407 /nfs/dbraw/zinc/57/04/07/1419570407.db2.gz LYCGNIJHYLYFLK-GNBUJSLZSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001717840628 1419570408 /nfs/dbraw/zinc/57/04/08/1419570408.db2.gz LYCGNIJHYLYFLK-GNBUJSLZSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CCCCCC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC1(C)C ZINC001717904569 1419611998 /nfs/dbraw/zinc/61/19/98/1419611998.db2.gz JQYZKKUONGKIKM-KRWDZBQOSA-N 2 1 332.492 2.765 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1(C)C ZINC001717905579 1419612421 /nfs/dbraw/zinc/61/24/21/1419612421.db2.gz QXSHNYQUFNSIAZ-LJQANCHMSA-N 2 1 343.515 2.911 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)CC1(C)C ZINC001717905579 1419612423 /nfs/dbraw/zinc/61/24/23/1419612423.db2.gz QXSHNYQUFNSIAZ-LJQANCHMSA-N 2 1 343.515 2.911 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C(F)(F)F ZINC001717909510 1419615263 /nfs/dbraw/zinc/61/52/63/1419615263.db2.gz RRBDTXKRSBDVOP-HUUCEWRRSA-N 2 1 349.441 2.521 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N(CC[N@H+](C)C[C@@H](C)CC)C(C)C)CC1 ZINC001717952419 1419626459 /nfs/dbraw/zinc/62/64/59/1419626459.db2.gz HKQIOSDRFIYXJS-SFHVURJKSA-N 2 1 335.536 2.547 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1C(F)(F)F ZINC001717987255 1419644293 /nfs/dbraw/zinc/64/42/93/1419644293.db2.gz RRJFUGBKDWYSQG-HUUCEWRRSA-N 2 1 349.441 2.662 10 30 EFEEMP C=CCC[N@@H+]1CC=C(CNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001718024127 1419663795 /nfs/dbraw/zinc/66/37/95/1419663795.db2.gz OPNWDPHQAMVDSL-UHFFFAOYSA-N 2 1 333.520 2.823 10 30 EFEEMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001723560324 1424524184 /nfs/dbraw/zinc/52/41/84/1424524184.db2.gz CAIHMXGKRPKIMY-MOPGFXCFSA-N 2 1 341.499 2.536 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001723608676 1424532704 /nfs/dbraw/zinc/53/27/04/1424532704.db2.gz RLEYVBVRCSNNBN-RBUKOAKNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C)CC1 ZINC001723632174 1424539858 /nfs/dbraw/zinc/53/98/58/1424539858.db2.gz MYWDWWSZOVJZAA-UHOSZYNNSA-N 2 1 333.520 2.748 10 30 EFEEMP C=C(C)CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001723646937 1424545449 /nfs/dbraw/zinc/54/54/49/1424545449.db2.gz FCWNHKZGCXCJJX-YLJYHZDGSA-N 2 1 347.547 2.996 10 30 EFEEMP C=C(C)CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001723646937 1424545451 /nfs/dbraw/zinc/54/54/51/1424545451.db2.gz FCWNHKZGCXCJJX-YLJYHZDGSA-N 2 1 347.547 2.996 10 30 EFEEMP C=C(C)CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001723646937 1424545453 /nfs/dbraw/zinc/54/54/53/1424545453.db2.gz FCWNHKZGCXCJJX-YLJYHZDGSA-N 2 1 347.547 2.996 10 30 EFEEMP C=CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001723649111 1424547590 /nfs/dbraw/zinc/54/75/90/1424547590.db2.gz HJBFVDWCRSKRRZ-IBGZPJMESA-N 2 1 347.547 2.997 10 30 EFEEMP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001723649111 1424547596 /nfs/dbraw/zinc/54/75/96/1424547596.db2.gz HJBFVDWCRSKRRZ-IBGZPJMESA-N 2 1 347.547 2.997 10 30 EFEEMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001723649111 1424547600 /nfs/dbraw/zinc/54/76/00/1424547600.db2.gz HJBFVDWCRSKRRZ-IBGZPJMESA-N 2 1 347.547 2.997 10 30 EFEEMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001723648624 1424548213 /nfs/dbraw/zinc/54/82/13/1424548213.db2.gz VEBQZVQCADNVCV-UHFFFAOYSA-N 2 1 345.531 2.589 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CCC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001723678919 1424555055 /nfs/dbraw/zinc/55/50/55/1424555055.db2.gz GKKNCHKEGLXOOV-AZUAARDMSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)[C@H](C)C1 ZINC001723864661 1424598678 /nfs/dbraw/zinc/59/86/78/1424598678.db2.gz XBKAIIUMYLZGDV-UYAOXDASSA-N 2 1 343.515 2.706 10 30 EFEEMP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001724273740 1424719578 /nfs/dbraw/zinc/71/95/78/1424719578.db2.gz RQUGHEWNVFEJKF-QUCCMNQESA-N 2 1 329.488 2.694 10 30 EFEEMP C=CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001724332267 1424739187 /nfs/dbraw/zinc/73/91/87/1424739187.db2.gz ZWLZIIIHPFMKFI-QUCCMNQESA-N 2 1 335.536 2.903 10 30 EFEEMP C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001724332267 1424739189 /nfs/dbraw/zinc/73/91/89/1424739189.db2.gz ZWLZIIIHPFMKFI-QUCCMNQESA-N 2 1 335.536 2.903 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001724332267 1424739195 /nfs/dbraw/zinc/73/91/95/1424739195.db2.gz ZWLZIIIHPFMKFI-QUCCMNQESA-N 2 1 335.536 2.903 10 30 EFEEMP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001724607718 1424825200 /nfs/dbraw/zinc/82/52/00/1424825200.db2.gz RBBNFVBSULAMAI-BZSNNMDCSA-N 2 1 344.503 2.542 10 30 EFEEMP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001724613404 1424833923 /nfs/dbraw/zinc/83/39/23/1424833923.db2.gz VKZPYHIHVODDPT-NCXUSEDFSA-N 2 1 333.520 2.702 10 30 EFEEMP C=CCCCCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@H]2C1 ZINC001724626605 1424851880 /nfs/dbraw/zinc/85/18/80/1424851880.db2.gz HVSZLXQXZQRVFU-ZCNNSNEGSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001724656059 1424892500 /nfs/dbraw/zinc/89/25/00/1424892500.db2.gz QPUWPKAWOBBNKX-RBUKOAKNSA-N 2 1 345.531 2.894 10 30 EFEEMP C=CCCCCC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001724660342 1424901589 /nfs/dbraw/zinc/90/15/89/1424901589.db2.gz WPVVWSXEUFAYJG-GBESFXJTSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001724660342 1424901596 /nfs/dbraw/zinc/90/15/96/1424901596.db2.gz WPVVWSXEUFAYJG-GBESFXJTSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001724660342 1424901600 /nfs/dbraw/zinc/90/16/00/1424901600.db2.gz WPVVWSXEUFAYJG-GBESFXJTSA-N 2 1 333.520 2.607 10 30 EFEEMP C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001724737586 1424962630 /nfs/dbraw/zinc/96/26/30/1424962630.db2.gz QHTYKVIKFPATGO-FQEVSTJZSA-N 2 1 341.499 2.653 10 30 EFEEMP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001724737199 1424963101 /nfs/dbraw/zinc/96/31/01/1424963101.db2.gz IHHZNLXDPWXGSM-GOSISDBHSA-N 2 1 349.906 2.699 10 30 EFEEMP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001724737199 1424963105 /nfs/dbraw/zinc/96/31/05/1424963105.db2.gz IHHZNLXDPWXGSM-GOSISDBHSA-N 2 1 349.906 2.699 10 30 EFEEMP C=C(C)CC[NH+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3C)C2)CC1 ZINC001724760035 1424990534 /nfs/dbraw/zinc/99/05/34/1424990534.db2.gz PNROWGKWYABUKK-UHFFFAOYSA-N 2 1 344.503 2.862 10 30 EFEEMP C=C(C)C[NH+]1CCc2c(CNC(=O)C[C@@H]3CC[N@H+](C)C3)cccc2C1 ZINC001724776181 1425003352 /nfs/dbraw/zinc/00/33/52/1425003352.db2.gz HNVBYKLTNNXIAY-KRWDZBQOSA-N 2 1 341.499 2.579 10 30 EFEEMP C=C(C)C[N@H+]1CCc2c(CNC(=O)C[C@@H]3CC[NH+](C)C3)cccc2C1 ZINC001724776181 1425003360 /nfs/dbraw/zinc/00/33/60/1425003360.db2.gz HNVBYKLTNNXIAY-KRWDZBQOSA-N 2 1 341.499 2.579 10 30 EFEEMP C=C(C)C[N@@H+]1CCc2c(CNC(=O)C[C@@H]3CC[NH+](C)C3)cccc2C1 ZINC001724776181 1425003367 /nfs/dbraw/zinc/00/33/67/1425003367.db2.gz HNVBYKLTNNXIAY-KRWDZBQOSA-N 2 1 341.499 2.579 10 30 EFEEMP C=C(C)C[NH+]1CCc2c(CNC(=O)C[N@@H+]3CC[C@H](C)C3)cccc2C1 ZINC001724777147 1425004508 /nfs/dbraw/zinc/00/45/08/1425004508.db2.gz NSWRBEBACMQLGL-KRWDZBQOSA-N 2 1 341.499 2.579 10 30 EFEEMP C=C(C)C[N@H+]1CCc2c(CNC(=O)C[NH+]3CC[C@H](C)C3)cccc2C1 ZINC001724777147 1425004519 /nfs/dbraw/zinc/00/45/19/1425004519.db2.gz NSWRBEBACMQLGL-KRWDZBQOSA-N 2 1 341.499 2.579 10 30 EFEEMP C=C(C)C[N@@H+]1CCc2c(CNC(=O)C[NH+]3CC[C@H](C)C3)cccc2C1 ZINC001724777147 1425004526 /nfs/dbraw/zinc/00/45/26/1425004526.db2.gz NSWRBEBACMQLGL-KRWDZBQOSA-N 2 1 341.499 2.579 10 30 EFEEMP C#CCC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001724863273 1425078678 /nfs/dbraw/zinc/07/86/78/1425078678.db2.gz ORHJLFCJUIXBTC-VQTJNVASSA-N 2 1 347.547 2.692 10 30 EFEEMP C#CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001724863273 1425078682 /nfs/dbraw/zinc/07/86/82/1425078682.db2.gz ORHJLFCJUIXBTC-VQTJNVASSA-N 2 1 347.547 2.692 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001724863273 1425078686 /nfs/dbraw/zinc/07/86/86/1425078686.db2.gz ORHJLFCJUIXBTC-VQTJNVASSA-N 2 1 347.547 2.692 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001724866090 1425081974 /nfs/dbraw/zinc/08/19/74/1425081974.db2.gz ZVPNUTZVXJFEHM-RBUKOAKNSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001724866092 1425082811 /nfs/dbraw/zinc/08/28/11/1425082811.db2.gz ZVPNUTZVXJFEHM-RTBURBONSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001724894839 1425111728 /nfs/dbraw/zinc/11/17/28/1425111728.db2.gz GFIGLQVBIANMMH-FQEVSTJZSA-N 2 1 341.499 2.592 10 30 EFEEMP C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001724894839 1425111731 /nfs/dbraw/zinc/11/17/31/1425111731.db2.gz GFIGLQVBIANMMH-FQEVSTJZSA-N 2 1 341.499 2.592 10 30 EFEEMP C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001725011668 1425224523 /nfs/dbraw/zinc/22/45/23/1425224523.db2.gz DLRHTMCUDCMKKG-HXUWFJFHSA-N 2 1 341.499 2.764 10 30 EFEEMP C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001725011668 1425224532 /nfs/dbraw/zinc/22/45/32/1425224532.db2.gz DLRHTMCUDCMKKG-HXUWFJFHSA-N 2 1 341.499 2.764 10 30 EFEEMP C=CCC[N@H+](CC)CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001725025682 1425237070 /nfs/dbraw/zinc/23/70/70/1425237070.db2.gz KLZGCHZXENJKSC-UHFFFAOYSA-N 2 1 335.536 2.999 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001725032236 1425242296 /nfs/dbraw/zinc/24/22/96/1425242296.db2.gz JVKCVCIEHFBLQZ-RARDXLECSA-N 2 1 341.499 2.665 10 30 EFEEMP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001725033117 1425243792 /nfs/dbraw/zinc/24/37/92/1425243792.db2.gz OHHBQEUKLIQKKW-IEBWSBKVSA-N 2 1 329.488 2.522 10 30 EFEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C1CCCCC1 ZINC001725038106 1425247935 /nfs/dbraw/zinc/24/79/35/1425247935.db2.gz BGEUTBXYCMRMBN-IBGZPJMESA-N 2 1 333.520 2.587 10 30 EFEEMP CC#CC[NH+](C)C[C@@H]1CCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001725038106 1425247939 /nfs/dbraw/zinc/24/79/39/1425247939.db2.gz BGEUTBXYCMRMBN-IBGZPJMESA-N 2 1 333.520 2.587 10 30 EFEEMP CC#CC[NH+](C)C[C@@H]1CCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001725038106 1425247941 /nfs/dbraw/zinc/24/79/41/1425247941.db2.gz BGEUTBXYCMRMBN-IBGZPJMESA-N 2 1 333.520 2.587 10 30 EFEEMP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001725039684 1425250557 /nfs/dbraw/zinc/25/05/57/1425250557.db2.gz DKODQGBDBPSSJP-JKSUJKDBSA-N 2 1 348.491 2.627 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001725039684 1425250565 /nfs/dbraw/zinc/25/05/65/1425250565.db2.gz DKODQGBDBPSSJP-JKSUJKDBSA-N 2 1 348.491 2.627 10 30 EFEEMP C=C(C)C[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001725055594 1425265947 /nfs/dbraw/zinc/26/59/47/1425265947.db2.gz MUMAHBVECVAYIT-RTBURBONSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001725055594 1425265955 /nfs/dbraw/zinc/26/59/55/1425265955.db2.gz MUMAHBVECVAYIT-RTBURBONSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001725055594 1425265962 /nfs/dbraw/zinc/26/59/62/1425265962.db2.gz MUMAHBVECVAYIT-RTBURBONSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001725180441 1425360402 /nfs/dbraw/zinc/36/04/02/1425360402.db2.gz LPSIOJSGPAMJGP-SXLOBPIMSA-N 2 1 343.515 2.735 10 30 EFEEMP C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001725180441 1425360408 /nfs/dbraw/zinc/36/04/08/1425360408.db2.gz LPSIOJSGPAMJGP-SXLOBPIMSA-N 2 1 343.515 2.735 10 30 EFEEMP C=CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001725180441 1425360412 /nfs/dbraw/zinc/36/04/12/1425360412.db2.gz LPSIOJSGPAMJGP-SXLOBPIMSA-N 2 1 343.515 2.735 10 30 EFEEMP C#CCC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001725211004 1425380312 /nfs/dbraw/zinc/38/03/12/1425380312.db2.gz AQRHUTOILCDKQW-MOPGFXCFSA-N 2 1 335.536 2.735 10 30 EFEEMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001725241651 1425407540 /nfs/dbraw/zinc/40/75/40/1425407540.db2.gz MSCLWMVFBJKXAC-RTBURBONSA-N 2 1 333.520 2.635 10 30 EFEEMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001725241648 1425408129 /nfs/dbraw/zinc/40/81/29/1425408129.db2.gz MSCLWMVFBJKXAC-MOPGFXCFSA-N 2 1 333.520 2.635 10 30 EFEEMP C=CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@@H+](C)Cc3ccccc3)C[C@H]2C1 ZINC001725336741 1425480579 /nfs/dbraw/zinc/48/05/79/1425480579.db2.gz VYEMEXLOYSWLDP-SLFFLAALSA-N 2 1 341.499 2.521 10 30 EFEEMP C=CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@H+](C)Cc3ccccc3)C[C@H]2C1 ZINC001725336741 1425480585 /nfs/dbraw/zinc/48/05/85/1425480585.db2.gz VYEMEXLOYSWLDP-SLFFLAALSA-N 2 1 341.499 2.521 10 30 EFEEMP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)Cc3ccccc3)C[C@H]2C1 ZINC001725336741 1425480592 /nfs/dbraw/zinc/48/05/92/1425480592.db2.gz VYEMEXLOYSWLDP-SLFFLAALSA-N 2 1 341.499 2.521 10 30 EFEEMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)Cc3ccccc3)C[C@H]2C1 ZINC001725336741 1425480596 /nfs/dbraw/zinc/48/05/96/1425480596.db2.gz VYEMEXLOYSWLDP-SLFFLAALSA-N 2 1 341.499 2.521 10 30 EFEEMP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001725338200 1425483734 /nfs/dbraw/zinc/48/37/34/1425483734.db2.gz ZWUPVIQOESYJFV-IPMKNSEASA-N 2 1 333.520 2.655 10 30 EFEEMP CCCCCCC[N@H+]1CCCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001725343006 1425491547 /nfs/dbraw/zinc/49/15/47/1425491547.db2.gz GYPVDBHIZDMNSY-UHFFFAOYSA-N 2 1 335.536 2.977 10 30 EFEEMP C=CCCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@@]2(C)C1 ZINC001725346176 1425494542 /nfs/dbraw/zinc/49/45/42/1425494542.db2.gz AJMWKDBIFUKYQW-JYAXBFRTSA-N 2 1 347.547 2.853 10 30 EFEEMP C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@]2(C)C1 ZINC001725346176 1425494543 /nfs/dbraw/zinc/49/45/43/1425494543.db2.gz AJMWKDBIFUKYQW-JYAXBFRTSA-N 2 1 347.547 2.853 10 30 EFEEMP C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@]2(C)C1 ZINC001725346176 1425494544 /nfs/dbraw/zinc/49/45/44/1425494544.db2.gz AJMWKDBIFUKYQW-JYAXBFRTSA-N 2 1 347.547 2.853 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001725582824 1425666901 /nfs/dbraw/zinc/66/69/01/1425666901.db2.gz DNFIVTPQXRFLLO-MJGOQNOKSA-N 2 1 329.488 2.664 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001725582824 1425666905 /nfs/dbraw/zinc/66/69/05/1425666905.db2.gz DNFIVTPQXRFLLO-MJGOQNOKSA-N 2 1 329.488 2.664 10 30 EFEEMP C=CC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]1C(F)(F)F ZINC001725779820 1425845555 /nfs/dbraw/zinc/84/55/55/1425845555.db2.gz GNIITXREFNZRCK-KBPBESRZSA-N 2 1 349.441 2.519 10 30 EFEEMP C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000261937718 722078584 /nfs/dbraw/zinc/07/85/84/722078584.db2.gz CVAOQMPPNWLWLJ-IJXRJRJASA-N 2 1 340.515 2.957 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000907379546 726932094 /nfs/dbraw/zinc/93/20/94/726932094.db2.gz VFNHSMMYUJWRKQ-LJQANCHMSA-N 2 1 329.488 2.617 10 30 EFEEMP COCC[N@H+]1CCC[C@H]1CNC(NCc1ccccc1)=[NH+]C(C)(C)C ZINC000912498672 727718495 /nfs/dbraw/zinc/71/84/95/727718495.db2.gz DJCOJTLRYBPTLX-SFHVURJKSA-N 2 1 346.519 2.631 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000940736205 728223948 /nfs/dbraw/zinc/22/39/48/728223948.db2.gz BXQACTREMQZSOK-CVEARBPZSA-N 2 1 341.927 2.828 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000940736205 728223949 /nfs/dbraw/zinc/22/39/49/728223949.db2.gz BXQACTREMQZSOK-CVEARBPZSA-N 2 1 341.927 2.828 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940736205 728223953 /nfs/dbraw/zinc/22/39/53/728223953.db2.gz BXQACTREMQZSOK-CVEARBPZSA-N 2 1 341.927 2.828 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940736205 728223956 /nfs/dbraw/zinc/22/39/56/728223956.db2.gz BXQACTREMQZSOK-CVEARBPZSA-N 2 1 341.927 2.828 10 30 EFEEMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC(C)(C)C)CC1(C)C ZINC000940807944 728254761 /nfs/dbraw/zinc/25/47/61/728254761.db2.gz XAVSGGZOQBZGTA-ZWKOTPCHSA-N 2 1 347.547 2.737 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC(C)(C)C)CC1(C)C ZINC000940807944 728254764 /nfs/dbraw/zinc/25/47/64/728254764.db2.gz XAVSGGZOQBZGTA-ZWKOTPCHSA-N 2 1 347.547 2.737 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC(C)(C)C)CC1(C)C ZINC000940807944 728254765 /nfs/dbraw/zinc/25/47/65/728254765.db2.gz XAVSGGZOQBZGTA-ZWKOTPCHSA-N 2 1 347.547 2.737 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC(C)(C)C)CC1(C)C ZINC000940807944 728254768 /nfs/dbraw/zinc/25/47/68/728254768.db2.gz XAVSGGZOQBZGTA-ZWKOTPCHSA-N 2 1 347.547 2.737 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC(C)(C)C)CC1(C)C ZINC000940807944 728254771 /nfs/dbraw/zinc/25/47/71/728254771.db2.gz XAVSGGZOQBZGTA-ZWKOTPCHSA-N 2 1 347.547 2.737 10 30 EFEEMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000940858355 728296758 /nfs/dbraw/zinc/29/67/58/728296758.db2.gz LZVUZKVAMUPESH-ZWKOTPCHSA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940858355 728296759 /nfs/dbraw/zinc/29/67/59/728296759.db2.gz LZVUZKVAMUPESH-ZWKOTPCHSA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940858355 728296762 /nfs/dbraw/zinc/29/67/62/728296762.db2.gz LZVUZKVAMUPESH-ZWKOTPCHSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000940972258 728344510 /nfs/dbraw/zinc/34/45/10/728344510.db2.gz KEESVERHDRLGGA-MSOLQXFVSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000940972258 728344511 /nfs/dbraw/zinc/34/45/11/728344511.db2.gz KEESVERHDRLGGA-MSOLQXFVSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000940972258 728344513 /nfs/dbraw/zinc/34/45/13/728344513.db2.gz KEESVERHDRLGGA-MSOLQXFVSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000940972640 728344946 /nfs/dbraw/zinc/34/49/46/728344946.db2.gz OQAUBCKVWZHLPL-MSOLQXFVSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000940972640 728344948 /nfs/dbraw/zinc/34/49/48/728344948.db2.gz OQAUBCKVWZHLPL-MSOLQXFVSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000940972640 728344949 /nfs/dbraw/zinc/34/49/49/728344949.db2.gz OQAUBCKVWZHLPL-MSOLQXFVSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940979296 728347634 /nfs/dbraw/zinc/34/76/34/728347634.db2.gz GWHYSBHGJOVGSI-OKZBNKHCSA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940979296 728347637 /nfs/dbraw/zinc/34/76/37/728347637.db2.gz GWHYSBHGJOVGSI-OKZBNKHCSA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940979296 728347639 /nfs/dbraw/zinc/34/76/39/728347639.db2.gz GWHYSBHGJOVGSI-OKZBNKHCSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000941033997 728376346 /nfs/dbraw/zinc/37/63/46/728376346.db2.gz ZHEGTYNVWINYCQ-FUHWJXTLSA-N 2 1 344.503 2.547 10 30 EFEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000941033997 728376347 /nfs/dbraw/zinc/37/63/47/728376347.db2.gz ZHEGTYNVWINYCQ-FUHWJXTLSA-N 2 1 344.503 2.547 10 30 EFEEMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000941092261 728399103 /nfs/dbraw/zinc/39/91/03/728399103.db2.gz CKKWQXOREVIFSJ-IBGZPJMESA-N 2 1 341.499 2.602 10 30 EFEEMP C#CC[N@H+](CCNC(=O)C1CC[NH+](C(C)C)CC1)C1CCCCCC1 ZINC001569450431 1085233489 /nfs/dbraw/zinc/23/34/89/1085233489.db2.gz FCUXZSUVGZLOLA-UHFFFAOYSA-N 2 1 347.547 2.881 10 30 EFEEMP C=CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001569451648 1085237129 /nfs/dbraw/zinc/23/71/29/1085237129.db2.gz FNQALEYQDRSIKN-LJQANCHMSA-N 2 1 335.536 2.852 10 30 EFEEMP C=CCCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001569479568 1085286888 /nfs/dbraw/zinc/28/68/88/1085286888.db2.gz YRXXRKQELIIGSY-CMKODMSKSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001569479568 1085286897 /nfs/dbraw/zinc/28/68/97/1085286897.db2.gz YRXXRKQELIIGSY-CMKODMSKSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001569479568 1085286906 /nfs/dbraw/zinc/28/69/06/1085286906.db2.gz YRXXRKQELIIGSY-CMKODMSKSA-N 2 1 333.520 2.607 10 30 EFEEMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001569578830 1085398059 /nfs/dbraw/zinc/39/80/59/1085398059.db2.gz SHZHUQFELDZXKV-UHFFFAOYSA-N 2 1 341.927 2.976 10 30 EFEEMP C#CCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001569589384 1085412492 /nfs/dbraw/zinc/41/24/92/1085412492.db2.gz KSJNFIDMNLLLJN-OALUTQOASA-N 2 1 347.547 2.833 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001569621055 1085447592 /nfs/dbraw/zinc/44/75/92/1085447592.db2.gz ACMQGBBGFQBBHP-AZUAARDMSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[NH+]1CC[C@](C)(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001569648582 1085481925 /nfs/dbraw/zinc/48/19/25/1085481925.db2.gz WXJUMUDXASMEJZ-OALUTQOASA-N 2 1 339.499 2.746 10 30 EFEEMP C=CCCC[N@H+]1CC[C@](C)(NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001569648582 1085481927 /nfs/dbraw/zinc/48/19/27/1085481927.db2.gz WXJUMUDXASMEJZ-OALUTQOASA-N 2 1 339.499 2.746 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@](C)(NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001569648582 1085481930 /nfs/dbraw/zinc/48/19/30/1085481930.db2.gz WXJUMUDXASMEJZ-OALUTQOASA-N 2 1 339.499 2.746 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001569655849 1085490194 /nfs/dbraw/zinc/49/01/94/1085490194.db2.gz XTDDLMHINQZHPN-HXUWFJFHSA-N 2 1 329.488 2.909 10 30 EFEEMP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001569694913 1085526384 /nfs/dbraw/zinc/52/63/84/1085526384.db2.gz BASFIUMJZPBIEM-FQEVSTJZSA-N 2 1 329.488 2.523 10 30 EFEEMP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001569694913 1085526391 /nfs/dbraw/zinc/52/63/91/1085526391.db2.gz BASFIUMJZPBIEM-FQEVSTJZSA-N 2 1 329.488 2.523 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCC(C)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001569706396 1085535930 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WPPJKSGTPDMSLB-ZCNNSNEGSA-N 2 1 345.531 2.586 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCCC(C)C ZINC001569910812 1085750564 /nfs/dbraw/zinc/75/05/64/1085750564.db2.gz WPPJKSGTPDMSLB-ZCNNSNEGSA-N 2 1 345.531 2.586 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCCC(C)C ZINC001569910812 1085750570 /nfs/dbraw/zinc/75/05/70/1085750570.db2.gz WPPJKSGTPDMSLB-ZCNNSNEGSA-N 2 1 345.531 2.586 10 30 EFEEMP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001569989115 1085826341 /nfs/dbraw/zinc/82/63/41/1085826341.db2.gz YPZWJZKYGKRYJZ-SJORKVTESA-N 2 1 341.927 2.688 10 30 EFEEMP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001569998671 1085839780 /nfs/dbraw/zinc/83/97/80/1085839780.db2.gz RMJZEAGLWPDMRO-OALUTQOASA-N 2 1 335.536 2.903 10 30 EFEEMP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)Cn2cc[nH+]c2C)cc1 ZINC001570033128 1085885178 /nfs/dbraw/zinc/88/51/78/1085885178.db2.gz MSEBOHMFUBWKNN-HNNXBMFYSA-N 2 1 326.444 2.735 10 30 EFEEMP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)Cn2cc[nH+]c2C)cc1 ZINC001570033129 1085886098 /nfs/dbraw/zinc/88/60/98/1085886098.db2.gz MSEBOHMFUBWKNN-OAHLLOKOSA-N 2 1 326.444 2.735 10 30 EFEEMP C=CCCC[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001570053393 1085907499 /nfs/dbraw/zinc/90/74/99/1085907499.db2.gz DIXMJAFVWOJLCF-GOSISDBHSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CC[N@@H+]1CCc2c(CNC(=O)[C@@H](F)C[NH+](CC)CC)cccc2C1 ZINC001570078260 1085933193 /nfs/dbraw/zinc/93/31/93/1085933193.db2.gz QWROHOKMAARSOF-IBGZPJMESA-N 2 1 347.478 2.527 10 30 EFEEMP C=CC[N@@H+]1CCc2c(CNC(=O)[C@H](F)C[NH+](CC)CC)cccc2C1 ZINC001570078261 1085934124 /nfs/dbraw/zinc/93/41/24/1085934124.db2.gz QWROHOKMAARSOF-LJQANCHMSA-N 2 1 347.478 2.527 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)C1 ZINC001570220918 1086062618 /nfs/dbraw/zinc/06/26/18/1086062618.db2.gz YETZARFGXYBJTH-MOPGFXCFSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001570220918 1086062627 /nfs/dbraw/zinc/06/26/27/1086062627.db2.gz YETZARFGXYBJTH-MOPGFXCFSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001570220918 1086062635 /nfs/dbraw/zinc/06/26/35/1086062635.db2.gz YETZARFGXYBJTH-MOPGFXCFSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001570269115 1086104598 /nfs/dbraw/zinc/10/45/98/1086104598.db2.gz OGHXOVRGNIJUJM-IBGZPJMESA-N 2 1 343.515 2.693 10 30 EFEEMP C=CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001570269115 1086104605 /nfs/dbraw/zinc/10/46/05/1086104605.db2.gz OGHXOVRGNIJUJM-IBGZPJMESA-N 2 1 343.515 2.693 10 30 EFEEMP C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001570269115 1086104610 /nfs/dbraw/zinc/10/46/10/1086104610.db2.gz OGHXOVRGNIJUJM-IBGZPJMESA-N 2 1 343.515 2.693 10 30 EFEEMP C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001570269115 1086104612 /nfs/dbraw/zinc/10/46/12/1086104612.db2.gz OGHXOVRGNIJUJM-IBGZPJMESA-N 2 1 343.515 2.693 10 30 EFEEMP C=CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001570269090 1086104819 /nfs/dbraw/zinc/10/48/19/1086104819.db2.gz NXWRUBUQTWMSFG-WOJBJXKFSA-N 2 1 341.499 2.590 10 30 EFEEMP C=CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001570269090 1086104825 /nfs/dbraw/zinc/10/48/25/1086104825.db2.gz NXWRUBUQTWMSFG-WOJBJXKFSA-N 2 1 341.499 2.590 10 30 EFEEMP C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001570269090 1086104829 /nfs/dbraw/zinc/10/48/29/1086104829.db2.gz NXWRUBUQTWMSFG-WOJBJXKFSA-N 2 1 341.499 2.590 10 30 EFEEMP C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001570269090 1086104833 /nfs/dbraw/zinc/10/48/33/1086104833.db2.gz NXWRUBUQTWMSFG-WOJBJXKFSA-N 2 1 341.499 2.590 10 30 EFEEMP C=CCCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001570273971 1086113144 /nfs/dbraw/zinc/11/31/44/1086113144.db2.gz ZWXGBWJWPFWYBH-QKNQBKEWSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001570273971 1086113152 /nfs/dbraw/zinc/11/31/52/1086113152.db2.gz ZWXGBWJWPFWYBH-QKNQBKEWSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001570273971 1086113159 /nfs/dbraw/zinc/11/31/59/1086113159.db2.gz ZWXGBWJWPFWYBH-QKNQBKEWSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@@H+]1Cc2ccc(CNC(=O)[C@H](CC)[NH+](C)C)cc2C1 ZINC001570314064 1086143858 /nfs/dbraw/zinc/14/38/58/1086143858.db2.gz VZRJBUPPVWZBCC-IBGZPJMESA-N 2 1 329.488 2.925 10 30 EFEEMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001570540446 1086334375 /nfs/dbraw/zinc/33/43/75/1086334375.db2.gz ONUAUSLNRIXSOY-IBGZPJMESA-N 2 1 329.488 2.513 10 30 EFEEMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001570540447 1086336135 /nfs/dbraw/zinc/33/61/35/1086336135.db2.gz ONUAUSLNRIXSOY-LJQANCHMSA-N 2 1 329.488 2.513 10 30 EFEEMP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001570551782 1086356948 /nfs/dbraw/zinc/35/69/48/1086356948.db2.gz UJSLQZHHKCHIGH-RTBURBONSA-N 2 1 335.536 2.855 10 30 EFEEMP C#CCC[NH2+]CC1(NC(=O)C[N@@H+](C)Cc2ccccc2)CCCCC1 ZINC001570806058 1086530222 /nfs/dbraw/zinc/53/02/22/1086530222.db2.gz SZIXQLIVJYLNSN-UHFFFAOYSA-N 2 1 341.499 2.550 10 30 EFEEMP C#CCC[NH2+]CC1(NC(=O)C[N@H+](C)Cc2ccccc2)CCCCC1 ZINC001570806058 1086530226 /nfs/dbraw/zinc/53/02/26/1086530226.db2.gz SZIXQLIVJYLNSN-UHFFFAOYSA-N 2 1 341.499 2.550 10 30 EFEEMP C#CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001570812344 1086532962 /nfs/dbraw/zinc/53/29/62/1086532962.db2.gz PUOHCNHPYMMTRM-HKUYNNGSSA-N 2 1 333.520 2.681 10 30 EFEEMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001570897517 1086597698 /nfs/dbraw/zinc/59/76/98/1086597698.db2.gz SSPCPUWXMQJQTP-JKSUJKDBSA-N 2 1 332.492 2.799 10 30 EFEEMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001570897517 1086597704 /nfs/dbraw/zinc/59/77/04/1086597704.db2.gz 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ZINC001271900770 1103006394 /nfs/dbraw/zinc/00/63/94/1103006394.db2.gz KJWOGXLKKLEQLC-APWZRJJASA-N 2 1 341.515 2.896 10 30 EFEEMP C=CCCC[NH2+][C@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001661168620 1103155552 /nfs/dbraw/zinc/15/55/52/1103155552.db2.gz PXRLRRZRKYSDRU-VQIMIIECSA-N 2 1 339.499 2.650 10 30 EFEEMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001661276049 1103216603 /nfs/dbraw/zinc/21/66/03/1103216603.db2.gz QOQHSXJVPOGMHV-ZCNNSNEGSA-N 2 1 341.499 2.931 10 30 EFEEMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001661276049 1103216624 /nfs/dbraw/zinc/21/66/24/1103216624.db2.gz QOQHSXJVPOGMHV-ZCNNSNEGSA-N 2 1 341.499 2.931 10 30 EFEEMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001661276049 1103216634 /nfs/dbraw/zinc/21/66/34/1103216634.db2.gz QOQHSXJVPOGMHV-ZCNNSNEGSA-N 2 1 341.499 2.931 10 30 EFEEMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001661276049 1103216644 /nfs/dbraw/zinc/21/66/44/1103216644.db2.gz QOQHSXJVPOGMHV-ZCNNSNEGSA-N 2 1 341.499 2.931 10 30 EFEEMP C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001661482387 1103278240 /nfs/dbraw/zinc/27/82/40/1103278240.db2.gz KODRRINOIKMIDP-VJANTYMQSA-N 2 1 333.520 2.987 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001661554772 1103311225 /nfs/dbraw/zinc/31/12/25/1103311225.db2.gz FOOWGHUUFFJOHH-DLBZAZTESA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001661554772 1103311240 /nfs/dbraw/zinc/31/12/40/1103311240.db2.gz FOOWGHUUFFJOHH-DLBZAZTESA-N 2 1 341.927 2.784 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001661556067 1103317881 /nfs/dbraw/zinc/31/78/81/1103317881.db2.gz QHIOEVOVJULQDZ-UXHICEINSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001661720118 1103383211 /nfs/dbraw/zinc/38/32/11/1103383211.db2.gz ZLLZEELERXHPLE-IRXDYDNUSA-N 2 1 332.492 2.801 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001661720118 1103383224 /nfs/dbraw/zinc/38/32/24/1103383224.db2.gz ZLLZEELERXHPLE-IRXDYDNUSA-N 2 1 332.492 2.801 10 30 EFEEMP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001409483889 1103468627 /nfs/dbraw/zinc/46/86/27/1103468627.db2.gz IUXHMAORIJPGAK-CVEARBPZSA-N 2 1 341.927 2.830 10 30 EFEEMP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001661890789 1103492547 /nfs/dbraw/zinc/49/25/47/1103492547.db2.gz LQBBJMYEVCLJEB-RTBURBONSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001661890789 1103492557 /nfs/dbraw/zinc/49/25/57/1103492557.db2.gz LQBBJMYEVCLJEB-RTBURBONSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001661890789 1103492565 /nfs/dbraw/zinc/49/25/65/1103492565.db2.gz LQBBJMYEVCLJEB-RTBURBONSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001661890789 1103492572 /nfs/dbraw/zinc/49/25/72/1103492572.db2.gz LQBBJMYEVCLJEB-RTBURBONSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001662070771 1103576542 /nfs/dbraw/zinc/57/65/42/1103576542.db2.gz ACAUZTGDYKBFEL-SLHNCBLASA-N 2 1 345.531 2.796 10 30 EFEEMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001662070771 1103576558 /nfs/dbraw/zinc/57/65/58/1103576558.db2.gz ACAUZTGDYKBFEL-SLHNCBLASA-N 2 1 345.531 2.796 10 30 EFEEMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001662070771 1103576572 /nfs/dbraw/zinc/57/65/72/1103576572.db2.gz ACAUZTGDYKBFEL-SLHNCBLASA-N 2 1 345.531 2.796 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001662084347 1103580085 /nfs/dbraw/zinc/58/00/85/1103580085.db2.gz FXQHXMMGXZEARN-LFZDHENXSA-N 2 1 341.499 2.690 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001662084347 1103580093 /nfs/dbraw/zinc/58/00/93/1103580093.db2.gz FXQHXMMGXZEARN-LFZDHENXSA-N 2 1 341.499 2.690 10 30 EFEEMP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001662852058 1103861627 /nfs/dbraw/zinc/86/16/27/1103861627.db2.gz YZXIZIWUTYGJOV-GOSISDBHSA-N 2 1 335.536 2.997 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@H+](C)CCCC(C)C)C2)CC1 ZINC001662877543 1103885012 /nfs/dbraw/zinc/88/50/12/1103885012.db2.gz DZSFWWXTTMRNPL-FQEVSTJZSA-N 2 1 347.547 2.691 10 30 EFEEMP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001663067656 1103959158 /nfs/dbraw/zinc/95/91/58/1103959158.db2.gz XBSDILWREYNFDD-OALUTQOASA-N 2 1 345.531 2.635 10 30 EFEEMP C#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001663067656 1103959166 /nfs/dbraw/zinc/95/91/66/1103959166.db2.gz XBSDILWREYNFDD-OALUTQOASA-N 2 1 345.531 2.635 10 30 EFEEMP C#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001663067656 1103959171 /nfs/dbraw/zinc/95/91/71/1103959171.db2.gz XBSDILWREYNFDD-OALUTQOASA-N 2 1 345.531 2.635 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001663109551 1103984561 /nfs/dbraw/zinc/98/45/61/1103984561.db2.gz NEIGSPHCKHEWPQ-KRWDZBQOSA-N 2 1 332.492 2.943 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001663109551 1103984572 /nfs/dbraw/zinc/98/45/72/1103984572.db2.gz NEIGSPHCKHEWPQ-KRWDZBQOSA-N 2 1 332.492 2.943 10 30 EFEEMP C=CCCCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001663498563 1104117824 /nfs/dbraw/zinc/11/78/24/1104117824.db2.gz UFHZODVZVWXEBL-RTBURBONSA-N 2 1 333.520 2.655 10 30 EFEEMP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001664185720 1104309733 /nfs/dbraw/zinc/30/97/33/1104309733.db2.gz ABQMEZVCKCTICZ-YJBOKZPZSA-N 2 1 327.488 2.602 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN(C)Cc1ccccc1 ZINC001272053227 1104330976 /nfs/dbraw/zinc/33/09/76/1104330976.db2.gz KFCLWJCNAXECAT-PMACEKPBSA-N 2 1 341.499 2.760 10 30 EFEEMP C=C(C)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001272053227 1104330986 /nfs/dbraw/zinc/33/09/86/1104330986.db2.gz KFCLWJCNAXECAT-PMACEKPBSA-N 2 1 341.499 2.760 10 30 EFEEMP C=C(C)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)Cc1ccccc1 ZINC001272053227 1104330996 /nfs/dbraw/zinc/33/09/96/1104330996.db2.gz KFCLWJCNAXECAT-PMACEKPBSA-N 2 1 341.499 2.760 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)Cc1ccccc1 ZINC001272053227 1104331006 /nfs/dbraw/zinc/33/10/06/1104331006.db2.gz KFCLWJCNAXECAT-PMACEKPBSA-N 2 1 341.499 2.760 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)Cc1ccccc1 ZINC001272053227 1104331014 /nfs/dbraw/zinc/33/10/14/1104331014.db2.gz KFCLWJCNAXECAT-PMACEKPBSA-N 2 1 341.499 2.760 10 30 EFEEMP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001664456790 1104401723 /nfs/dbraw/zinc/40/17/23/1104401723.db2.gz ABSABNKJTSYIKQ-MAUKXSAKSA-N 2 1 344.503 2.547 10 30 EFEEMP C=CC[NH2+][C@@H](C)C1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001664467010 1104405712 /nfs/dbraw/zinc/40/57/12/1104405712.db2.gz CHDAOVRKMHWPJZ-KRWDZBQOSA-N 2 1 329.488 2.521 10 30 EFEEMP C=CC[NH2+][C@@H](C)C1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001664467010 1104405717 /nfs/dbraw/zinc/40/57/17/1104405717.db2.gz CHDAOVRKMHWPJZ-KRWDZBQOSA-N 2 1 329.488 2.521 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001664678199 1104498772 /nfs/dbraw/zinc/49/87/72/1104498772.db2.gz LQUQIEBMYYLUAC-MJGOQNOKSA-N 2 1 344.503 2.643 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001664678199 1104498774 /nfs/dbraw/zinc/49/87/74/1104498774.db2.gz LQUQIEBMYYLUAC-MJGOQNOKSA-N 2 1 344.503 2.643 10 30 EFEEMP C=CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001664716638 1104519004 /nfs/dbraw/zinc/51/90/04/1104519004.db2.gz GANPZFMVHIHGQQ-QZTJIDSGSA-N 2 1 333.520 2.655 10 30 EFEEMP C=CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001664716638 1104519013 /nfs/dbraw/zinc/51/90/13/1104519013.db2.gz GANPZFMVHIHGQQ-QZTJIDSGSA-N 2 1 333.520 2.655 10 30 EFEEMP C=CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001664716638 1104519021 /nfs/dbraw/zinc/51/90/21/1104519021.db2.gz GANPZFMVHIHGQQ-QZTJIDSGSA-N 2 1 333.520 2.655 10 30 EFEEMP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001664818513 1104564169 /nfs/dbraw/zinc/56/41/69/1104564169.db2.gz UTHPFLBJIVOGQR-GOSISDBHSA-N 2 1 333.520 2.609 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](C)CC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001664876493 1104589891 /nfs/dbraw/zinc/58/98/91/1104589891.db2.gz YEWBAJQRXIKAQY-PXNSSMCTSA-N 2 1 347.547 2.853 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001482628299 1104687848 /nfs/dbraw/zinc/68/78/48/1104687848.db2.gz MMBXCIDOYPPLJK-APWZRJJASA-N 2 1 341.515 2.944 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001665670583 1104745571 /nfs/dbraw/zinc/74/55/71/1104745571.db2.gz LALYVCYTJBIBBI-LJQANCHMSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001665738563 1104771205 /nfs/dbraw/zinc/77/12/05/1104771205.db2.gz WDQSZOJJPJWRGC-LJQANCHMSA-N 2 1 335.536 2.996 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CCC1CCCCCC1 ZINC001665804930 1104786981 /nfs/dbraw/zinc/78/69/81/1104786981.db2.gz NVBAHTQEQKHNMY-UXHICEINSA-N 2 1 347.547 2.929 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CCC1CCCCCC1 ZINC001665804930 1104786986 /nfs/dbraw/zinc/78/69/86/1104786986.db2.gz NVBAHTQEQKHNMY-UXHICEINSA-N 2 1 347.547 2.929 10 30 EFEEMP C=CCCC[NH2+][C@@H](CC)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001665844390 1104793370 /nfs/dbraw/zinc/79/33/70/1104793370.db2.gz JANKTNMKKFZKSD-MAUKXSAKSA-N 2 1 327.488 2.650 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@H]21 ZINC001482665885 1104803589 /nfs/dbraw/zinc/80/35/89/1104803589.db2.gz LNPWWEDMPDMOCG-RTBURBONSA-N 2 1 345.531 2.751 10 30 EFEEMP C#CCC[NH2+]C[C@@]1(NC(=O)Cn2cc[nH+]c2C(C)C)CCCC[C@H]1C ZINC001666064530 1104846501 /nfs/dbraw/zinc/84/65/01/1104846501.db2.gz VLEQSMHLTWTRIM-XLIONFOSSA-N 2 1 344.503 2.685 10 30 EFEEMP CC#CC[NH2+]Cc1ccc(CNC(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC001666350661 1104932870 /nfs/dbraw/zinc/93/28/70/1104932870.db2.gz GKCRRFRYHGGTLA-UHFFFAOYSA-N 2 1 349.478 2.548 10 30 EFEEMP CC#CC[NH2+]Cc1ccc(CNC(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC001666350661 1104932874 /nfs/dbraw/zinc/93/28/74/1104932874.db2.gz GKCRRFRYHGGTLA-UHFFFAOYSA-N 2 1 349.478 2.548 10 30 EFEEMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CCCC1 ZINC001666767583 1104994894 /nfs/dbraw/zinc/99/48/94/1104994894.db2.gz KWBAAQGDSLOJJC-ROUUACIJSA-N 2 1 333.520 2.988 10 30 EFEEMP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CCCC1 ZINC001666782937 1104997531 /nfs/dbraw/zinc/99/75/31/1104997531.db2.gz UIBYZGRXJGGGSA-LJQANCHMSA-N 2 1 345.531 2.825 10 30 EFEEMP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C1CCCCC1 ZINC001667139327 1105060838 /nfs/dbraw/zinc/06/08/38/1105060838.db2.gz ISNYRLIUOHVSHX-WOJBJXKFSA-N 2 1 347.547 2.785 10 30 EFEEMP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001667284056 1105106957 /nfs/dbraw/zinc/10/69/57/1105106957.db2.gz CDQWWNCMGKWKEH-MSOLQXFVSA-N 2 1 344.503 2.691 10 30 EFEEMP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001667332938 1105120662 /nfs/dbraw/zinc/12/06/62/1105120662.db2.gz RZGDSTMOFZSPBK-HZPDHXFCSA-N 2 1 348.491 2.533 10 30 EFEEMP C=C(C)CC[N@@H+](C)CCC1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001667413023 1105142963 /nfs/dbraw/zinc/14/29/63/1105142963.db2.gz IUXLRPHTGFQMCU-UHFFFAOYSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[NH+](C)CCC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001667413023 1105142968 /nfs/dbraw/zinc/14/29/68/1105142968.db2.gz IUXLRPHTGFQMCU-UHFFFAOYSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[NH+](C)CCC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001667413023 1105142969 /nfs/dbraw/zinc/14/29/69/1105142969.db2.gz IUXLRPHTGFQMCU-UHFFFAOYSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001667412985 1105143482 /nfs/dbraw/zinc/14/34/82/1105143482.db2.gz HNTKDTYMVXIDJN-HXUWFJFHSA-N 2 1 347.547 2.855 10 30 EFEEMP C#CCC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001667420812 1105145052 /nfs/dbraw/zinc/14/50/52/1105145052.db2.gz DZGAZEQVAAKZHQ-VQTJNVASSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CCC[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001667420812 1105145055 /nfs/dbraw/zinc/14/50/55/1105145055.db2.gz DZGAZEQVAAKZHQ-VQTJNVASSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CCC[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001667420812 1105145058 /nfs/dbraw/zinc/14/50/58/1105145058.db2.gz DZGAZEQVAAKZHQ-VQTJNVASSA-N 2 1 345.531 2.587 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](C)CCC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001667426791 1105146131 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C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001673008568 1105957747 /nfs/dbraw/zinc/95/77/47/1105957747.db2.gz IWVZBCNSHYHDOM-RCCFBDPRSA-N 2 1 333.520 2.606 10 30 EFEEMP C#CCC[NH+]1Cc2ccc(CNC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)cc2C1 ZINC001673769415 1106084997 /nfs/dbraw/zinc/08/49/97/1106084997.db2.gz JGEZYUXSELNAAM-CALCHBBNSA-N 2 1 339.483 2.515 10 30 EFEEMP C#CCC[N@H+]1Cc2ccc(CNC(=O)C[NH+]3[C@H](C)CC[C@@H]3C)cc2C1 ZINC001673769415 1106085004 /nfs/dbraw/zinc/08/50/04/1106085004.db2.gz JGEZYUXSELNAAM-CALCHBBNSA-N 2 1 339.483 2.515 10 30 EFEEMP C#CCC[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3[C@H](C)CC[C@@H]3C)cc2C1 ZINC001673769415 1106085010 /nfs/dbraw/zinc/08/50/10/1106085010.db2.gz JGEZYUXSELNAAM-CALCHBBNSA-N 2 1 339.483 2.515 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCCCCC)CC1 ZINC001673958665 1106109720 /nfs/dbraw/zinc/10/97/20/1106109720.db2.gz GYMSEEWSVWXZQE-SFHVURJKSA-N 2 1 333.520 2.635 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCCCCC)CC1 ZINC001673958665 1106109723 /nfs/dbraw/zinc/10/97/23/1106109723.db2.gz GYMSEEWSVWXZQE-SFHVURJKSA-N 2 1 333.520 2.635 10 30 EFEEMP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001674001697 1106116522 /nfs/dbraw/zinc/11/65/22/1106116522.db2.gz JQJALLMESAWUJU-GOSISDBHSA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001674001698 1106116566 /nfs/dbraw/zinc/11/65/66/1106116566.db2.gz JQJALLMESAWUJU-SFHVURJKSA-N 2 1 329.488 2.836 10 30 EFEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001674018997 1106121594 /nfs/dbraw/zinc/12/15/94/1106121594.db2.gz RPHXZJIMKMPTEH-IAGOWNOFSA-N 2 1 344.503 2.637 10 30 EFEEMP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001674018997 1106121597 /nfs/dbraw/zinc/12/15/97/1106121597.db2.gz RPHXZJIMKMPTEH-IAGOWNOFSA-N 2 1 344.503 2.637 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC001674029084 1106126155 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ZSUKDHYUWMZECO-QUCCMNQESA-N 2 1 341.499 2.620 10 30 EFEEMP C=CCCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001674272598 1106164116 /nfs/dbraw/zinc/16/41/16/1106164116.db2.gz ZSUKDHYUWMZECO-QUCCMNQESA-N 2 1 341.499 2.620 10 30 EFEEMP C=C(C)C[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001674272541 1106164213 /nfs/dbraw/zinc/16/42/13/1106164213.db2.gz YKNAEBBSNWFQHN-VQTJNVASSA-N 2 1 343.515 2.864 10 30 EFEEMP C=C(C)C[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001674272541 1106164215 /nfs/dbraw/zinc/16/42/15/1106164215.db2.gz YKNAEBBSNWFQHN-VQTJNVASSA-N 2 1 343.515 2.864 10 30 EFEEMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)CCC)CC2)CC1 ZINC001674294236 1106167394 /nfs/dbraw/zinc/16/73/94/1106167394.db2.gz IXFWAWKYYRBWLR-UHFFFAOYSA-N 2 1 335.536 2.999 10 30 EFEEMP C=CCCC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001674503947 1106208231 /nfs/dbraw/zinc/20/82/31/1106208231.db2.gz BSCNKEVXGJPZBY-MOPGFXCFSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001674503947 1106208232 /nfs/dbraw/zinc/20/82/32/1106208232.db2.gz BSCNKEVXGJPZBY-MOPGFXCFSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001674503947 1106208235 /nfs/dbraw/zinc/20/82/35/1106208235.db2.gz BSCNKEVXGJPZBY-MOPGFXCFSA-N 2 1 335.536 2.855 10 30 EFEEMP C#CCC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001675899945 1106442542 /nfs/dbraw/zinc/44/25/42/1106442542.db2.gz YTWNLGBZDLNBIL-ZWKOTPCHSA-N 2 1 333.520 2.539 10 30 EFEEMP C=CCCC[N@@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001676069196 1106480499 /nfs/dbraw/zinc/48/04/99/1106480499.db2.gz RDVIVVJCXQZRRE-UHFFFAOYSA-N 2 1 332.492 2.896 10 30 EFEEMP C=CCCC[N@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001676069196 1106480501 /nfs/dbraw/zinc/48/05/01/1106480501.db2.gz RDVIVVJCXQZRRE-UHFFFAOYSA-N 2 1 332.492 2.896 10 30 EFEEMP CCCCCCC[N@@H+](C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001676079701 1106481284 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332.492 2.907 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001676958782 1106635961 /nfs/dbraw/zinc/63/59/61/1106635961.db2.gz NNWVHCYHYRBTNX-IRXDYDNUSA-N 2 1 332.492 2.847 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCCCC=C)C(C)(C)C1 ZINC001677004404 1106647309 /nfs/dbraw/zinc/64/73/09/1106647309.db2.gz UOBPETOHYHJLSP-RBUKOAKNSA-N 2 1 345.531 2.657 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCCCC=C)C(C)(C)C1 ZINC001677004404 1106647310 /nfs/dbraw/zinc/64/73/10/1106647310.db2.gz UOBPETOHYHJLSP-RBUKOAKNSA-N 2 1 345.531 2.657 10 30 EFEEMP C=CCC[NH2+]Cc1ccc(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c(F)c1 ZINC001677648217 1106810810 /nfs/dbraw/zinc/81/08/10/1106810810.db2.gz ILNOSWYYBQEZCF-IYBDPMFKSA-N 2 1 347.478 2.980 10 30 EFEEMP C=C(C)C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001272669651 1112296092 /nfs/dbraw/zinc/29/60/92/1112296092.db2.gz FFKBQOKYJWQKMX-VQIMIIECSA-N 2 1 329.488 2.651 10 30 EFEEMP 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ZINC001484875705 1117790253 /nfs/dbraw/zinc/79/02/53/1117790253.db2.gz ODRKVWJPNXXTEW-MRXNPFEDSA-N 2 1 327.472 2.536 10 30 EFEEMP C=C(C)C[N@H+]1Cc2ccc(CNC(=O)C[NH+]3CC[C@@H](C)C3)cc2C1 ZINC001484875705 1117790255 /nfs/dbraw/zinc/79/02/55/1117790255.db2.gz ODRKVWJPNXXTEW-MRXNPFEDSA-N 2 1 327.472 2.536 10 30 EFEEMP C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3CC[C@@H](C)C3)cc2C1 ZINC001484875705 1117790258 /nfs/dbraw/zinc/79/02/58/1117790258.db2.gz ODRKVWJPNXXTEW-MRXNPFEDSA-N 2 1 327.472 2.536 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001484943296 1117869153 /nfs/dbraw/zinc/86/91/53/1117869153.db2.gz MBQJXRPXJROMPZ-QZTJIDSGSA-N 2 1 335.536 2.900 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCCCC)[C@H](C)C2)CC1 ZINC001484985787 1117911383 /nfs/dbraw/zinc/91/13/83/1117911383.db2.gz KRNIOMXOKWWTOA-UYAOXDASSA-N 2 1 347.547 2.881 10 30 EFEEMP C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001485003553 1117931851 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ZYWKZYROJAYYLQ-RTBURBONSA-N 2 1 344.503 2.718 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001485085297 1118024743 /nfs/dbraw/zinc/02/47/43/1118024743.db2.gz ZQVZJVLJUXTQHX-MOPGFXCFSA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001485085297 1118024747 /nfs/dbraw/zinc/02/47/47/1118024747.db2.gz ZQVZJVLJUXTQHX-MOPGFXCFSA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001485085297 1118024752 /nfs/dbraw/zinc/02/47/52/1118024752.db2.gz ZQVZJVLJUXTQHX-MOPGFXCFSA-N 2 1 335.536 2.853 10 30 EFEEMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001485080914 1118030021 /nfs/dbraw/zinc/03/00/21/1118030021.db2.gz XITIYWMDULMIDA-QGZVFWFLSA-N 2 1 345.487 2.681 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001485082271 1118033307 /nfs/dbraw/zinc/03/33/07/1118033307.db2.gz NVOJWBYXVFRLQM-RBUKOAKNSA-N 2 1 344.503 2.718 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001485082271 1118033312 /nfs/dbraw/zinc/03/33/12/1118033312.db2.gz NVOJWBYXVFRLQM-RBUKOAKNSA-N 2 1 344.503 2.718 10 30 EFEEMP CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC001485432751 1118345029 /nfs/dbraw/zinc/34/50/29/1118345029.db2.gz BWJMHXZULMDOSX-PMACEKPBSA-N 2 1 347.547 2.879 10 30 EFEEMP CC#CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001485467051 1118377117 /nfs/dbraw/zinc/37/71/17/1118377117.db2.gz YXCFDEQRGPGYKO-HKUYNNGSSA-N 2 1 333.520 2.681 10 30 EFEEMP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCCn3cc[nH+]c3C)C[C@H]2C1 ZINC001485659327 1118509407 /nfs/dbraw/zinc/50/94/07/1118509407.db2.gz ZSQXESOQLYVMKN-FHWLQOOXSA-N 2 1 344.503 2.765 10 30 EFEEMP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCCn3cc[nH+]c3C)C[C@H]2C1 ZINC001485659327 1118509411 /nfs/dbraw/zinc/50/94/11/1118509411.db2.gz ZSQXESOQLYVMKN-FHWLQOOXSA-N 2 1 344.503 2.765 10 30 EFEEMP C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@]2(C)C1 ZINC001485668533 1118517466 /nfs/dbraw/zinc/51/74/66/1118517466.db2.gz VKZBCHCXKARFLH-NRSPTQNISA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@]2(C)C1 ZINC001485668533 1118517471 /nfs/dbraw/zinc/51/74/71/1118517471.db2.gz VKZBCHCXKARFLH-NRSPTQNISA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)CCC[NH+]3CCCC3)C[C@@]2(C)C1 ZINC001485669373 1118518186 /nfs/dbraw/zinc/51/81/86/1118518186.db2.gz FRIUNJZKOJXOOT-BGYRXZFFSA-N 2 1 333.520 2.609 10 30 EFEEMP C=CC[NH+]1CC[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000941027077 1118657610 /nfs/dbraw/zinc/65/76/10/1118657610.db2.gz RRGGUVXNLSNAJK-BEFAXECRSA-N 2 1 339.499 2.602 10 30 EFEEMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000941027077 1118657614 /nfs/dbraw/zinc/65/76/14/1118657614.db2.gz RRGGUVXNLSNAJK-BEFAXECRSA-N 2 1 339.499 2.602 10 30 EFEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000941027077 1118657616 /nfs/dbraw/zinc/65/76/16/1118657616.db2.gz RRGGUVXNLSNAJK-BEFAXECRSA-N 2 1 339.499 2.602 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC(C)C)CC2(C)C)CC1 ZINC000941238490 1118696477 /nfs/dbraw/zinc/69/64/77/1118696477.db2.gz XJCNGZRHQALPJI-IBGZPJMESA-N 2 1 347.547 2.594 10 30 EFEEMP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000246077490 240264175 /nfs/dbraw/zinc/26/41/75/240264175.db2.gz CWEOLDUYOLIAKZ-MSOLQXFVSA-N 2 1 342.487 2.713 10 30 EFEEMP CC[NH+]=C(NCc1cc(F)cc(F)c1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261938905 240330179 /nfs/dbraw/zinc/33/01/79/240330179.db2.gz DCDFONLJSUMDMZ-SJKOYZFVSA-N 2 1 336.430 2.503 10 30 EFEEMP OCC#Cc1csc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CC2CC2)C3)c1 ZINC000011841140 211254130 /nfs/dbraw/zinc/25/41/30/211254130.db2.gz QRQDEFXHGAPHQS-HXUWFJFHSA-N 2 1 344.524 2.790 10 30 EFEEMP OCC#Cc1csc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CC2CC2)C3)c1 ZINC000011841140 211254134 /nfs/dbraw/zinc/25/41/34/211254134.db2.gz QRQDEFXHGAPHQS-HXUWFJFHSA-N 2 1 344.524 2.790 10 30 EFEEMP OCC#Cc1csc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)c1 ZINC000011841140 211254140 /nfs/dbraw/zinc/25/41/40/211254140.db2.gz QRQDEFXHGAPHQS-HXUWFJFHSA-N 2 1 344.524 2.790 10 30 EFEEMP OCC#Cc1csc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CC2CC2)C3)c1 ZINC000011841140 211254144 /nfs/dbraw/zinc/25/41/44/211254144.db2.gz QRQDEFXHGAPHQS-HXUWFJFHSA-N 2 1 344.524 2.790 10 30 EFEEMP C=CC[C@H]1[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CCCC1(C)C ZINC000444777378 250346816 /nfs/dbraw/zinc/34/68/16/250346816.db2.gz FOOGPRVGSLALPB-GOSISDBHSA-N 2 1 333.520 2.796 10 30 EFEEMP CC[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(C#N)cc1 ZINC000423518535 267193922 /nfs/dbraw/zinc/19/39/22/267193922.db2.gz ZYWMZBANKKUYLW-SOAGJPPSSA-N 2 1 326.488 2.815 10 30 EFEEMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000057847045 472484921 /nfs/dbraw/zinc/48/49/21/472484921.db2.gz BIVPDCAESBKTJT-UHFFFAOYSA-N 2 1 328.460 2.551 10 30 EFEEMP CN1CC[NH+](Cc2ccccc2C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000048783112 472909476 /nfs/dbraw/zinc/90/94/76/472909476.db2.gz VZJBJZCFGKXVMG-UHFFFAOYSA-N 2 1 334.467 2.595 10 30 EFEEMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000123318200 473126293 /nfs/dbraw/zinc/12/62/93/473126293.db2.gz HPRWNDVRQRAGPE-HZPDHXFCSA-N 2 1 325.460 2.664 10 30 EFEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000178296528 473485126 /nfs/dbraw/zinc/48/51/26/473485126.db2.gz GDHZOLYLXGQNPQ-HNNXBMFYSA-N 2 1 343.456 2.618 10 30 EFEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000178296528 473485134 /nfs/dbraw/zinc/48/51/34/473485134.db2.gz GDHZOLYLXGQNPQ-HNNXBMFYSA-N 2 1 343.456 2.618 10 30 EFEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000178296538 473485988 /nfs/dbraw/zinc/48/59/88/473485988.db2.gz GDHZOLYLXGQNPQ-OAHLLOKOSA-N 2 1 343.456 2.618 10 30 EFEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000178296538 473485993 /nfs/dbraw/zinc/48/59/93/473485993.db2.gz GDHZOLYLXGQNPQ-OAHLLOKOSA-N 2 1 343.456 2.618 10 30 EFEEMP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292251357 474923300 /nfs/dbraw/zinc/92/33/00/474923300.db2.gz XSADPSJLMOCXKK-SCLBCKFNSA-N 2 1 346.862 2.566 10 30 EFEEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CCCn2cc(C)nc21 ZINC000328660243 475051878 /nfs/dbraw/zinc/05/18/78/475051878.db2.gz VAIORSHELGWQPJ-GVDBMIGSSA-N 2 1 345.491 2.542 10 30 EFEEMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCn3cc(C)nc32)C1 ZINC000328660865 475051933 /nfs/dbraw/zinc/05/19/33/475051933.db2.gz WCPZBWPBINALAI-IRXDYDNUSA-N 2 1 347.507 2.647 10 30 EFEEMP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1ccc(C#N)cc1 ZINC000352718627 475561130 /nfs/dbraw/zinc/56/11/30/475561130.db2.gz HWMPMYZATREWPW-UHFFFAOYSA-N 2 1 348.494 2.808 10 30 EFEEMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358564042 475774736 /nfs/dbraw/zinc/77/47/36/475774736.db2.gz WOGLNRKIZWGNGJ-MRXNPFEDSA-N 2 1 332.467 2.766 10 30 EFEEMP C=CCOc1ccccc1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000349038931 475898977 /nfs/dbraw/zinc/89/89/77/475898977.db2.gz VYFOVFOJUYBRKZ-UHFFFAOYSA-N 2 1 331.504 2.709 10 30 EFEEMP C=CCOc1ccccc1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000349038931 475898988 /nfs/dbraw/zinc/89/89/88/475898988.db2.gz VYFOVFOJUYBRKZ-UHFFFAOYSA-N 2 1 331.504 2.709 10 30 EFEEMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)C(C)C ZINC000349722140 475990537 /nfs/dbraw/zinc/99/05/37/475990537.db2.gz JQDRJIYNGFWNCG-OALUTQOASA-N 2 1 348.535 2.563 10 30 EFEEMP C=CCCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000346971025 475999197 /nfs/dbraw/zinc/99/91/97/475999197.db2.gz ZKNIYVCHCFMRHC-UHFFFAOYSA-N 2 1 329.488 2.537 10 30 EFEEMP C=CCCC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000346971025 475999202 /nfs/dbraw/zinc/99/92/02/475999202.db2.gz ZKNIYVCHCFMRHC-UHFFFAOYSA-N 2 1 329.488 2.537 10 30 EFEEMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(C#N)c(F)c1 ZINC000423503165 477051541 /nfs/dbraw/zinc/05/15/41/477051541.db2.gz FLIUDLMQGMSLFN-RWBZWWBESA-N 2 1 330.451 2.564 10 30 EFEEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594435897 478384584 /nfs/dbraw/zinc/38/45/84/478384584.db2.gz GESNWXYAOVVPJB-MJGOQNOKSA-N 2 1 342.487 2.521 10 30 EFEEMP CN(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000594441871 478391198 /nfs/dbraw/zinc/39/11/98/478391198.db2.gz XLXHXFRFKVKCSX-RTBURBONSA-N 2 1 342.487 2.521 10 30 EFEEMP N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000600718682 478484276 /nfs/dbraw/zinc/48/42/76/478484276.db2.gz AEWQMQMQZJGBET-RBUKOAKNSA-N 2 1 327.472 2.543 10 30 EFEEMP N#CC1(C[C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000600725372 478489420 /nfs/dbraw/zinc/48/94/20/478489420.db2.gz JHFLHYYYGMKWHB-RAFMOHDBSA-N 2 1 339.483 2.826 10 30 EFEEMP C[C@@H]1C[C@H](CC[NH2+]C[C@H](O)CC2(C#N)CC2)C[N@H+]1Cc1ccccc1 ZINC000600729699 478491770 /nfs/dbraw/zinc/49/17/70/478491770.db2.gz WWHQYKNMBROESA-YZGWKJHDSA-N 2 1 341.499 2.931 10 30 EFEEMP N#CC1(C[C@H](O)C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000600738553 478498199 /nfs/dbraw/zinc/49/81/99/478498199.db2.gz JKOMTMHOEGFAJH-UXHICEINSA-N 2 1 341.499 2.933 10 30 EFEEMP CC(C)(C)[N@@H+]1CC[C@H]1CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000594962867 478607756 /nfs/dbraw/zinc/60/77/56/478607756.db2.gz MDQAVJZUNYVVRL-FQEVSTJZSA-N 2 1 340.515 2.985 10 30 EFEEMP CC(C)(C)[N@H+]1CC[C@H]1CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000594962867 478607764 /nfs/dbraw/zinc/60/77/64/478607764.db2.gz MDQAVJZUNYVVRL-FQEVSTJZSA-N 2 1 340.515 2.985 10 30 EFEEMP N#CC1(c2ccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cc2)CC1 ZINC000594993362 478620440 /nfs/dbraw/zinc/62/04/40/478620440.db2.gz PPWDNWGDKKATSN-IBGZPJMESA-N 2 1 325.456 2.585 10 30 EFEEMP N#CCN1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000592363159 478868125 /nfs/dbraw/zinc/86/81/25/478868125.db2.gz GXZAIMXCHSQEQD-FQEVSTJZSA-N 2 1 338.499 2.761 10 30 EFEEMP N#CCN1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000592363159 478868134 /nfs/dbraw/zinc/86/81/34/478868134.db2.gz GXZAIMXCHSQEQD-FQEVSTJZSA-N 2 1 338.499 2.761 10 30 EFEEMP C[N@H+]1C[C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)[C@H](c2ccccc2)C1 ZINC000592376419 478873106 /nfs/dbraw/zinc/87/31/06/478873106.db2.gz KZDBKQFGMHGRGH-QUCCMNQESA-N 2 1 345.450 2.641 10 30 EFEEMP C=CC[NH+](CC=C)[C@H](CNC(=O)Cn1c[nH+]c2c1CCCC2)C(C)C ZINC000573021019 478975335 /nfs/dbraw/zinc/97/53/35/478975335.db2.gz HSNSIVCYHQJUOE-LJQANCHMSA-N 2 1 344.503 2.577 10 30 EFEEMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H](O)CC1(C#N)CC1 ZINC000599345753 479261431 /nfs/dbraw/zinc/26/14/31/479261431.db2.gz BEKCQYDHMCFRQE-LJQANCHMSA-N 2 1 342.487 2.675 10 30 EFEEMP C[C@H]([NH2+]C[C@H](O)CC1(C#N)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000599365532 479270084 /nfs/dbraw/zinc/27/00/84/479270084.db2.gz FATKXACTFPMNOW-YTQUADARSA-N 2 1 327.472 2.541 10 30 EFEEMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000599402123 479285415 /nfs/dbraw/zinc/28/54/15/479285415.db2.gz JEDDLVJRHZGVGC-RTBURBONSA-N 2 1 341.499 2.931 10 30 EFEEMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000599402123 479285423 /nfs/dbraw/zinc/28/54/23/479285423.db2.gz JEDDLVJRHZGVGC-RTBURBONSA-N 2 1 341.499 2.931 10 30 EFEEMP C[NH+](C)CCC[N@H+](C)CCNc1ccc(C#N)cc1C(F)(F)F ZINC000596426027 479290849 /nfs/dbraw/zinc/29/08/49/479290849.db2.gz ZRHRZLBWMBJUCU-UHFFFAOYSA-N 2 1 328.382 2.872 10 30 EFEEMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc(C#N)cc1C(F)(F)F ZINC000596426027 479290853 /nfs/dbraw/zinc/29/08/53/479290853.db2.gz ZRHRZLBWMBJUCU-UHFFFAOYSA-N 2 1 328.382 2.872 10 30 EFEEMP N#CCN1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000611526601 479405839 /nfs/dbraw/zinc/40/58/39/479405839.db2.gz WLNPOXRLPIEHOE-MZADTFQBSA-N 2 1 338.499 2.760 10 30 EFEEMP CN(c1ccccc1C[N@@H+]1CC[C@](C)(C#N)C1)C1CC[NH+](C)CC1 ZINC000597229592 479632637 /nfs/dbraw/zinc/63/26/37/479632637.db2.gz MXKNZEYVHHMHNG-HXUWFJFHSA-N 2 1 326.488 2.953 10 30 EFEEMP CN(c1ccccc1C[N@H+]1CC[C@](C)(C#N)C1)C1CC[NH+](C)CC1 ZINC000597229592 479632640 /nfs/dbraw/zinc/63/26/40/479632640.db2.gz MXKNZEYVHHMHNG-HXUWFJFHSA-N 2 1 326.488 2.953 10 30 EFEEMP C=CC[C@]1(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CCC[NH2+]1 ZINC000662696860 481938116 /nfs/dbraw/zinc/93/81/16/481938116.db2.gz XKSMCAYUNQENLB-XKGZKEIXSA-N 2 1 327.472 2.636 10 30 EFEEMP C=CC[C@@]1(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)CCC[NH2+]1 ZINC000662721506 481947729 /nfs/dbraw/zinc/94/77/29/481947729.db2.gz XIYHAKOQCUBGPR-JXFKEZNVSA-N 2 1 343.471 2.717 10 30 EFEEMP C=CC[C@@]1(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662729146 481952071 /nfs/dbraw/zinc/95/20/71/481952071.db2.gz KRSZZZLWELPHOH-CTNGQTDRSA-N 2 1 341.499 2.665 10 30 EFEEMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)[nH+]1 ZINC000246061185 524679791 /nfs/dbraw/zinc/67/97/91/524679791.db2.gz RDTNLCBNLCYPJB-PKOBYXMFSA-N 2 1 336.439 2.729 10 30 EFEEMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)[nH+]1 ZINC000246061185 524679799 /nfs/dbraw/zinc/67/97/99/524679799.db2.gz RDTNLCBNLCYPJB-PKOBYXMFSA-N 2 1 336.439 2.729 10 30 EFEEMP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245425150 526043333 /nfs/dbraw/zinc/04/33/33/526043333.db2.gz KMMYACNCPFUFHW-YLJYHZDGSA-N 2 1 326.488 2.721 10 30 EFEEMP C[C@H](c1ccc(C#N)cc1)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245425150 526043343 /nfs/dbraw/zinc/04/33/43/526043343.db2.gz KMMYACNCPFUFHW-YLJYHZDGSA-N 2 1 326.488 2.721 10 30 EFEEMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(-c2ccccn2)c1 ZINC000160784449 529100684 /nfs/dbraw/zinc/10/06/84/529100684.db2.gz JONLVCPFOPFDRE-SFHVURJKSA-N 2 1 337.471 2.637 10 30 EFEEMP CC[NH+]=C(NCCn1cc[nH+]c1C)N1CC=C(c2ccccc2)CC1 ZINC000262596218 535262333 /nfs/dbraw/zinc/26/23/33/535262333.db2.gz WVRZWTPQNVWWPX-UHFFFAOYSA-N 2 1 337.471 2.946 10 30 EFEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000262531490 535549323 /nfs/dbraw/zinc/54/93/23/535549323.db2.gz NUTUNYUSVXMYMV-XUJVJEKNSA-N 2 1 338.858 2.724 10 30 EFEEMP CN(CCC#N)c1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000247255457 536301563 /nfs/dbraw/zinc/30/15/63/536301563.db2.gz XJDNJSXKFBUICA-UYAOXDASSA-N 2 1 326.488 2.953 10 30 EFEEMP CN(CCC#N)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000247255457 536301566 /nfs/dbraw/zinc/30/15/66/536301566.db2.gz XJDNJSXKFBUICA-UYAOXDASSA-N 2 1 326.488 2.953 10 30 EFEEMP CN(CCC#N)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000247255457 536301568 /nfs/dbraw/zinc/30/15/68/536301568.db2.gz XJDNJSXKFBUICA-UYAOXDASSA-N 2 1 326.488 2.953 10 30 EFEEMP CCC#C[C@@H](C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000671720145 547658308 /nfs/dbraw/zinc/65/83/08/547658308.db2.gz HPMMAYTVFSOIEK-TZIWHRDSSA-N 2 1 325.500 2.680 10 30 EFEEMP CCC#C[C@@H](C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000671720145 547658313 /nfs/dbraw/zinc/65/83/13/547658313.db2.gz HPMMAYTVFSOIEK-TZIWHRDSSA-N 2 1 325.500 2.680 10 30 EFEEMP N#CC1(c2ccccc2)CCC([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000768404114 577271879 /nfs/dbraw/zinc/27/18/79/577271879.db2.gz VLJCMBBWZBKZAU-OMYXNUHHSA-N 2 1 339.483 2.843 10 30 EFEEMP N#CC1(c2ccccc2)CCC([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000768404114 577271880 /nfs/dbraw/zinc/27/18/80/577271880.db2.gz VLJCMBBWZBKZAU-OMYXNUHHSA-N 2 1 339.483 2.843 10 30 EFEEMP C=CCCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001691785225 1248735777 /nfs/dbraw/zinc/73/57/77/1248735777.db2.gz YCALUFRXYGSCIV-GBESFXJTSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001691785225 1248735785 /nfs/dbraw/zinc/73/57/85/1248735785.db2.gz YCALUFRXYGSCIV-GBESFXJTSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001691785225 1248735796 /nfs/dbraw/zinc/73/57/96/1248735796.db2.gz YCALUFRXYGSCIV-GBESFXJTSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@@H]2[C@@H](NC(=O)CC[N@H+](C)CCC)C(C)(C)[C@H]21 ZINC001691428996 1248882311 /nfs/dbraw/zinc/88/23/11/1248882311.db2.gz SXYGYMOSKSSQPH-QRQLOZEOSA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)CCC)C(C)(C)[C@H]21 ZINC001691428996 1248882317 /nfs/dbraw/zinc/88/23/17/1248882317.db2.gz SXYGYMOSKSSQPH-QRQLOZEOSA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)CCC)C(C)(C)[C@H]21 ZINC001691428996 1248882329 /nfs/dbraw/zinc/88/23/29/1248882329.db2.gz SXYGYMOSKSSQPH-QRQLOZEOSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)CC(C)(C)C1 ZINC001750946581 1249026711 /nfs/dbraw/zinc/02/67/11/1249026711.db2.gz HKNYNXQTMHSXOF-IAGOWNOFSA-N 2 1 341.515 2.849 10 30 EFEEMP C=CCCCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001691969184 1247904450 /nfs/dbraw/zinc/90/44/50/1247904450.db2.gz VWWNMKHSNKYLCQ-RTBURBONSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCCCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001691969184 1247904460 /nfs/dbraw/zinc/90/44/60/1247904460.db2.gz VWWNMKHSNKYLCQ-RTBURBONSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCCCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001691969184 1247904474 /nfs/dbraw/zinc/90/44/74/1247904474.db2.gz VWWNMKHSNKYLCQ-RTBURBONSA-N 2 1 335.536 2.997 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)[C@H](CC)c2ccccc2)CC1 ZINC001691000666 1247917919 /nfs/dbraw/zinc/91/79/19/1247917919.db2.gz OAXIMMURTQDTJX-HXUWFJFHSA-N 2 1 341.499 2.531 10 30 EFEEMP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001692000006 1248371709 /nfs/dbraw/zinc/37/17/09/1248371709.db2.gz XSCCOCAAGREJJY-MOPGFXCFSA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)CC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001692013495 1248501704 /nfs/dbraw/zinc/50/17/04/1248501704.db2.gz GMVUMOMZNBBBSQ-LJQANCHMSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001692013495 1248501717 /nfs/dbraw/zinc/50/17/17/1248501717.db2.gz GMVUMOMZNBBBSQ-LJQANCHMSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001692013495 1248501727 /nfs/dbraw/zinc/50/17/27/1248501727.db2.gz GMVUMOMZNBBBSQ-LJQANCHMSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[NH+](CCC)CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001691190270 1248519464 /nfs/dbraw/zinc/51/94/64/1248519464.db2.gz CRTCPGDYJSORJY-SFHVURJKSA-N 2 1 327.488 2.603 10 30 EFEEMP C=C(C)C[N@@H+](CCC)CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001691190270 1248519447 /nfs/dbraw/zinc/51/94/47/1248519447.db2.gz CRTCPGDYJSORJY-SFHVURJKSA-N 2 1 327.488 2.603 10 30 EFEEMP C=C(C)C[NH+](CCC)CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001691190270 1248519456 /nfs/dbraw/zinc/51/94/56/1248519456.db2.gz CRTCPGDYJSORJY-SFHVURJKSA-N 2 1 327.488 2.603 10 30 EFEEMP C=C(C)C[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001692022856 1248525642 /nfs/dbraw/zinc/52/56/42/1248525642.db2.gz ISAVIERLYURFJU-LJQANCHMSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)C[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001692022856 1248525650 /nfs/dbraw/zinc/52/56/50/1248525650.db2.gz ISAVIERLYURFJU-LJQANCHMSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001692022856 1248525654 /nfs/dbraw/zinc/52/56/54/1248525654.db2.gz ISAVIERLYURFJU-LJQANCHMSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001691200485 1248526313 /nfs/dbraw/zinc/52/63/13/1248526313.db2.gz VXLBJPLHFUOBDW-VQTJNVASSA-N 2 1 343.515 2.879 10 30 EFEEMP C=C(C)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001691200485 1248526318 /nfs/dbraw/zinc/52/63/18/1248526318.db2.gz VXLBJPLHFUOBDW-VQTJNVASSA-N 2 1 343.515 2.879 10 30 EFEEMP C=C(C)CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001691200485 1248526329 /nfs/dbraw/zinc/52/63/29/1248526329.db2.gz VXLBJPLHFUOBDW-VQTJNVASSA-N 2 1 343.515 2.879 10 30 EFEEMP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001691245026 1248565811 /nfs/dbraw/zinc/56/58/11/1248565811.db2.gz KXDAPCMMVRWZHN-NLWGTHIKSA-N 2 1 345.531 2.681 10 30 EFEEMP C=CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001691275365 1248587429 /nfs/dbraw/zinc/58/74/29/1248587429.db2.gz PUQPENATHFXNLC-KRWDZBQOSA-N 2 1 344.503 2.861 10 30 EFEEMP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+](C)CC(C)(C)C)C2)CC1 ZINC001691277222 1248588212 /nfs/dbraw/zinc/58/82/12/1248588212.db2.gz SZRYAAHMGNEMMU-GOSISDBHSA-N 2 1 347.547 2.691 10 30 EFEEMP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001691524108 1251311099 /nfs/dbraw/zinc/31/10/99/1251311099.db2.gz YSESEQHQKGAKAV-BXWFABGCSA-N 2 1 339.499 2.650 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001691620930 1251840070 /nfs/dbraw/zinc/84/00/70/1251840070.db2.gz MJHNAVAWHQUNMT-GBESFXJTSA-N 2 1 335.536 2.949 10 30 EFEEMP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001484113604 1252265347 /nfs/dbraw/zinc/26/53/47/1252265347.db2.gz AVPXBDBEKLSTJQ-NRFANRHFSA-N 2 1 343.515 2.565 10 30 EFEEMP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001484121692 1252296460 /nfs/dbraw/zinc/29/64/60/1252296460.db2.gz HCYMHHSDMFPJDS-UYAOXDASSA-N 2 1 329.488 2.694 10 30 EFEEMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1[nH]cnc1C)C2 ZINC001484390186 1252496675 /nfs/dbraw/zinc/49/66/75/1252496675.db2.gz JRDSSVKCJRKAIV-BJWYYQGGSA-N 2 1 330.476 2.586 10 30 EFEEMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001484391835 1252502033 /nfs/dbraw/zinc/50/20/33/1252502033.db2.gz XXSNSRQQHKQUJN-BJWYYQGGSA-N 2 1 330.476 2.552 10 30 EFEEMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001484391835 1252502037 /nfs/dbraw/zinc/50/20/37/1252502037.db2.gz XXSNSRQQHKQUJN-BJWYYQGGSA-N 2 1 330.476 2.552 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001484397580 1252521798 /nfs/dbraw/zinc/52/17/98/1252521798.db2.gz KPLCVFYSRZZECI-FHWLQOOXSA-N 2 1 335.536 2.949 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@H]2C1 ZINC001484414995 1252553734 /nfs/dbraw/zinc/55/37/34/1252553734.db2.gz JSXNPHAVPUGIFZ-AKHDSKFASA-N 2 1 333.520 2.606 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@H]2C1 ZINC001484414995 1252553744 /nfs/dbraw/zinc/55/37/44/1252553744.db2.gz JSXNPHAVPUGIFZ-AKHDSKFASA-N 2 1 333.520 2.606 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@H]2C1 ZINC001484414995 1252553751 /nfs/dbraw/zinc/55/37/51/1252553751.db2.gz JSXNPHAVPUGIFZ-AKHDSKFASA-N 2 1 333.520 2.606 10 30 EFEEMP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001484471375 1252689920 /nfs/dbraw/zinc/68/99/20/1252689920.db2.gz RMRNNJDHSPRTEI-ZWKOTPCHSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001484770337 1252937235 /nfs/dbraw/zinc/93/72/35/1252937235.db2.gz CKVJQMCRXVYDIQ-OALUTQOASA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001484770337 1252937241 /nfs/dbraw/zinc/93/72/41/1252937241.db2.gz CKVJQMCRXVYDIQ-OALUTQOASA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001484770337 1252937248 /nfs/dbraw/zinc/93/72/48/1252937248.db2.gz CKVJQMCRXVYDIQ-OALUTQOASA-N 2 1 335.536 2.855 10 30 EFEEMP C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CC)CC1 ZINC001484770703 1252937676 /nfs/dbraw/zinc/93/76/76/1252937676.db2.gz IZQYQCBRCPLNDZ-YTQUADARSA-N 2 1 333.520 2.748 10 30 EFEEMP C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CC)CC1 ZINC001484770703 1252937681 /nfs/dbraw/zinc/93/76/81/1252937681.db2.gz IZQYQCBRCPLNDZ-YTQUADARSA-N 2 1 333.520 2.748 10 30 EFEEMP C=CCCC[NH2+]CC[C@@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001273018576 1265828007 /nfs/dbraw/zinc/82/80/07/1265828007.db2.gz MRQFKJUYXKRZEC-CRAIPNDOSA-N 2 1 327.488 2.650 10 30 EFEEMP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001670933049 1258754088 /nfs/dbraw/zinc/75/40/88/1258754088.db2.gz OVQKSQFQRGJITP-DWBSNAHUSA-N 2 1 333.520 2.795 10 30 EFEEMP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001670946453 1258881850 /nfs/dbraw/zinc/88/18/50/1258881850.db2.gz JIOOHVINKVWTCT-XVLXNVKGSA-N 2 1 333.520 2.939 10 30 EFEEMP C=C(C)C[N@H+](CCNC(=O)Cn1c[nH+]cc1C)C1CCCCCC1 ZINC001670976879 1259259425 /nfs/dbraw/zinc/25/94/25/1259259425.db2.gz HWPZFLQIWAZMFP-UHFFFAOYSA-N 2 1 332.492 2.909 10 30 EFEEMP C=C(C)C[N@@H+](CCNC(=O)Cn1c[nH+]cc1C)C1CCCCCC1 ZINC001670976879 1259259429 /nfs/dbraw/zinc/25/94/29/1259259429.db2.gz HWPZFLQIWAZMFP-UHFFFAOYSA-N 2 1 332.492 2.909 10 30 EFEEMP C#CCC[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)C1CCCCCC1 ZINC001670977189 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C=CCC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1(C)C ZINC001486242362 1262844595 /nfs/dbraw/zinc/84/45/95/1262844595.db2.gz IJTRPVJFYDMRDT-IBGZPJMESA-N 2 1 343.515 2.564 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC1(C)C ZINC001486243355 1262845069 /nfs/dbraw/zinc/84/50/69/1262845069.db2.gz HJUROZCFJTXRJY-OAHLLOKOSA-N 2 1 338.883 2.551 10 30 EFEEMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1(C)C ZINC001486250189 1262855230 /nfs/dbraw/zinc/85/52/30/1262855230.db2.gz OMXBXOWVIAADCQ-LJQANCHMSA-N 2 1 343.515 2.911 10 30 EFEEMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)CC1(C)C ZINC001486250189 1262855237 /nfs/dbraw/zinc/85/52/37/1262855237.db2.gz OMXBXOWVIAADCQ-LJQANCHMSA-N 2 1 343.515 2.911 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(C)(C)C ZINC001486399176 1262997413 /nfs/dbraw/zinc/99/74/13/1262997413.db2.gz IYPJWESCFGLAGU-ZNMIVQPWSA-N 2 1 329.916 2.590 10 30 EFEEMP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)c(F)c1 ZINC001486524305 1263327400 /nfs/dbraw/zinc/32/74/00/1263327400.db2.gz XPDYHIQOKVVWKR-PKOBYXMFSA-N 2 1 347.478 2.838 10 30 EFEEMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)c(F)c1 ZINC001486525531 1263331420 /nfs/dbraw/zinc/33/14/20/1263331420.db2.gz NGYPWTYQAJOBHL-PKOBYXMFSA-N 2 1 345.462 2.734 10 30 EFEEMP C=CCCC[N@H+](CC)CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001493021148 1269863118 /nfs/dbraw/zinc/86/31/18/1269863118.db2.gz AGSVDCNEBWGRTK-GOSISDBHSA-N 2 1 327.488 2.603 10 30 EFEEMP C=CCCC[NH+](CC)CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001493021148 1269863135 /nfs/dbraw/zinc/86/31/35/1269863135.db2.gz AGSVDCNEBWGRTK-GOSISDBHSA-N 2 1 327.488 2.603 10 30 EFEEMP C=CCCC[NH+](CC)CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001493021148 1269863148 /nfs/dbraw/zinc/86/31/48/1269863148.db2.gz AGSVDCNEBWGRTK-GOSISDBHSA-N 2 1 327.488 2.603 10 30 EFEEMP C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccccc2OCC[NH+](C)C)no1 ZINC000872175601 1287463366 /nfs/dbraw/zinc/46/33/66/1287463366.db2.gz SFNSMZLOKWMAJG-CYBMUJFWSA-N 2 1 336.823 2.819 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001671085313 1281424031 /nfs/dbraw/zinc/42/40/31/1281424031.db2.gz OFQQMARERNFCIM-CTNGQTDRSA-N 2 1 347.547 2.997 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001137552956 1281478513 /nfs/dbraw/zinc/47/85/13/1281478513.db2.gz IKJBFBAQOXHCPW-MSOLQXFVSA-N 2 1 329.488 2.616 10 30 EFEEMP C[C@@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)CCN1c1cc[nH+]cc1 ZINC001175768217 1287546372 /nfs/dbraw/zinc/54/63/72/1287546372.db2.gz KZYXJOIQIUZZOK-QGZVFWFLSA-N 2 1 336.439 2.933 10 30 EFEEMP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000903460406 1312715689 /nfs/dbraw/zinc/71/56/89/1312715689.db2.gz ATEIIECNBZVQJF-NSHGMRRFSA-N 2 1 327.472 2.893 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)CCC1=CCCCC1 ZINC001273524526 1290989734 /nfs/dbraw/zinc/98/97/34/1290989734.db2.gz ZWCZIVPNGBLXQC-FQEVSTJZSA-N 2 1 345.531 2.755 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)CCC1=CCCCC1 ZINC001273524526 1290989740 /nfs/dbraw/zinc/98/97/40/1290989740.db2.gz ZWCZIVPNGBLXQC-FQEVSTJZSA-N 2 1 345.531 2.755 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)CCC1=CCCCC1 ZINC001273524526 1290989744 /nfs/dbraw/zinc/98/97/44/1290989744.db2.gz ZWCZIVPNGBLXQC-FQEVSTJZSA-N 2 1 345.531 2.755 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)CCC1=CCCCC1 ZINC001273524526 1290989750 /nfs/dbraw/zinc/98/97/50/1290989750.db2.gz ZWCZIVPNGBLXQC-FQEVSTJZSA-N 2 1 345.531 2.755 10 30 EFEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000876777612 1291020125 /nfs/dbraw/zinc/02/01/25/1291020125.db2.gz YFLSLTBMAGBJLV-WBMJQRKESA-N 2 1 332.835 2.828 10 30 EFEEMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001276333054 1292835435 /nfs/dbraw/zinc/83/54/35/1292835435.db2.gz DAPIEBYYQHTEAW-UXHICEINSA-N 2 1 347.547 2.881 10 30 EFEEMP C=CCC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)[C@@H]1Cc2ccccc2O1 ZINC000883175867 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XTUHRNJBQLKXHH-QHAWAJNXSA-N 2 1 344.499 2.857 10 30 EFEEMP C#CC[NH+](CC[C@@H]1CCC[N@H+]1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426042 1294959695 /nfs/dbraw/zinc/95/96/95/1294959695.db2.gz FGECORJFBWGKGX-KRWDZBQOSA-N 2 1 349.519 2.805 10 30 EFEEMP C#CC[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426042 1294959709 /nfs/dbraw/zinc/95/97/09/1294959709.db2.gz FGECORJFBWGKGX-KRWDZBQOSA-N 2 1 349.519 2.805 10 30 EFEEMP C#CC[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426042 1294959717 /nfs/dbraw/zinc/95/97/17/1294959717.db2.gz FGECORJFBWGKGX-KRWDZBQOSA-N 2 1 349.519 2.805 10 30 EFEEMP C#CC[N@H+](CC[C@@H]1CCC[NH+]1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426042 1294959727 /nfs/dbraw/zinc/95/97/27/1294959727.db2.gz FGECORJFBWGKGX-KRWDZBQOSA-N 2 1 349.519 2.805 10 30 EFEEMP C#CC[N@@H+](CCn1cc[nH+]c1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426105 1294959793 /nfs/dbraw/zinc/95/97/93/1294959793.db2.gz IJDTZYDINWKSBY-UHFFFAOYSA-N 2 1 346.475 2.526 10 30 EFEEMP C#CC[N@H+](CCn1cc[nH+]c1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426105 1294959802 /nfs/dbraw/zinc/95/98/02/1294959802.db2.gz IJDTZYDINWKSBY-UHFFFAOYSA-N 2 1 346.475 2.526 10 30 EFEEMP C#CC[NH2+]C1(CC)CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001273795237 1295815040 /nfs/dbraw/zinc/81/50/40/1295815040.db2.gz BEJSBYOBXCCVMV-IBGZPJMESA-N 2 1 341.499 2.673 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001274885972 1296201851 /nfs/dbraw/zinc/20/18/51/1296201851.db2.gz VYTMMRYUSGTSRU-OALUTQOASA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001489200054 1298113238 /nfs/dbraw/zinc/11/32/38/1298113238.db2.gz PRIILGFNIKWIMS-QRVBRYPASA-N 2 1 347.547 2.996 10 30 EFEEMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001490758769 1299198819 /nfs/dbraw/zinc/19/88/19/1299198819.db2.gz MEIHEQCCTBBHQF-OAHLLOKOSA-N 2 1 335.517 2.780 10 30 EFEEMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001490797531 1299366385 /nfs/dbraw/zinc/36/63/85/1299366385.db2.gz ATEDLVDBXWEDBN-AKHDSKFASA-N 2 1 331.504 2.645 10 30 EFEEMP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001490797531 1299366397 /nfs/dbraw/zinc/36/63/97/1299366397.db2.gz ATEDLVDBXWEDBN-AKHDSKFASA-N 2 1 331.504 2.645 10 30 EFEEMP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001490797531 1299366406 /nfs/dbraw/zinc/36/64/06/1299366406.db2.gz ATEDLVDBXWEDBN-AKHDSKFASA-N 2 1 331.504 2.645 10 30 EFEEMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C#CC3CC[NH2+]CC3)cc2)C1 ZINC000852858178 1299915254 /nfs/dbraw/zinc/91/52/54/1299915254.db2.gz SKNIGFZRKINEBO-KRWDZBQOSA-N 2 1 339.483 2.860 10 30 EFEEMP C#CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC[NH+](CCC2CC2)CC1 ZINC001278151245 1313714392 /nfs/dbraw/zinc/71/43/92/1313714392.db2.gz LFDXAJRCORFGBA-FQEVSTJZSA-N 2 1 345.531 2.586 10 30 EFEEMP C#CCN(C(=O)CC[N@H+](C)CCC)C1CC[NH+](CC2CCCC2)CC1 ZINC001278194748 1313770220 /nfs/dbraw/zinc/77/02/20/1313770220.db2.gz SXKUKXZHEAZWTC-UHFFFAOYSA-N 2 1 347.547 2.835 10 30 EFEEMP CN(C)c1ccc(C#N)cc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000865635065 1303343263 /nfs/dbraw/zinc/34/32/63/1303343263.db2.gz KEOJOPMEWKRFQL-GOSISDBHSA-N 2 1 326.488 2.836 10 30 EFEEMP CN(C)c1ccc(C#N)cc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000865635065 1303343270 /nfs/dbraw/zinc/34/32/70/1303343270.db2.gz KEOJOPMEWKRFQL-GOSISDBHSA-N 2 1 326.488 2.836 10 30 EFEEMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)[C@@H](C)C1 ZINC000866617437 1303711976 /nfs/dbraw/zinc/71/19/76/1303711976.db2.gz JMFJGDQRCGTSSI-DQLDELGASA-N 2 1 341.499 2.752 10 30 EFEEMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000868284118 1304225278 /nfs/dbraw/zinc/22/52/78/1304225278.db2.gz PQFIFICZCXPWDT-LJQANCHMSA-N 2 1 348.535 2.733 10 30 EFEEMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)[N@@H+](C)C3CCCC3)[C@@H]2C1 ZINC001276689439 1314386158 /nfs/dbraw/zinc/38/61/58/1314386158.db2.gz DAJDKATXWRNQSP-NNZMDNLPSA-N 2 1 333.520 2.510 10 30 EFEEMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)[NH+](C)C3CCCC3)[C@@H]2C1 ZINC001276689439 1314386161 /nfs/dbraw/zinc/38/61/61/1314386161.db2.gz DAJDKATXWRNQSP-NNZMDNLPSA-N 2 1 333.520 2.510 10 30 EFEEMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)[NH+](C)C3CCCC3)[C@@H]2C1 ZINC001276689439 1314386162 /nfs/dbraw/zinc/38/61/62/1314386162.db2.gz DAJDKATXWRNQSP-NNZMDNLPSA-N 2 1 333.520 2.510 10 30 EFEEMP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001491180603 1311169353 /nfs/dbraw/zinc/16/93/53/1311169353.db2.gz UDOJTQQQXJGFQA-UYAOXDASSA-N 2 1 341.499 2.531 10 30 EFEEMP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001276840598 1311187523 /nfs/dbraw/zinc/18/75/23/1311187523.db2.gz QMVWIBJUZQKOEX-RCCFBDPRSA-N 2 1 333.520 2.511 10 30 EFEEMP C=CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C[C@H]2C1 ZINC001276842237 1311189422 /nfs/dbraw/zinc/18/94/22/1311189422.db2.gz ZMBRCMUMTHHCQK-SLFFLAALSA-N 2 1 347.547 2.901 10 30 EFEEMP C=CCCCCC[NH+]1CCCC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001276879349 1311240859 /nfs/dbraw/zinc/24/08/59/1311240859.db2.gz ZQVBESGXBLLRQM-LJQANCHMSA-N 2 1 347.547 2.999 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1csc(C)c1 ZINC001277210458 1311808164 /nfs/dbraw/zinc/80/81/64/1311808164.db2.gz MKLWOWWKRRZFAT-YJBOKZPZSA-N 2 1 347.528 2.529 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1csc(C)c1 ZINC001277210458 1311808168 /nfs/dbraw/zinc/80/81/68/1311808168.db2.gz MKLWOWWKRRZFAT-YJBOKZPZSA-N 2 1 347.528 2.529 10 30 EFEEMP C=CCCC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@@H]1C(F)(F)F ZINC001284737507 1320501480 /nfs/dbraw/zinc/50/14/80/1320501480.db2.gz MLONINNLMSGEJT-GJZGRUSLSA-N 2 1 349.441 2.663 10 30 EFEEMP C=CCCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@@H]1C(F)(F)F ZINC001284737669 1320501600 /nfs/dbraw/zinc/50/16/00/1320501600.db2.gz MLONINNLMSGEJT-LSDHHAIUSA-N 2 1 349.441 2.663 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001277274499 1311905110 /nfs/dbraw/zinc/90/51/10/1311905110.db2.gz MHYUIIWEAZLJGV-FQEVSTJZSA-N 2 1 347.547 2.855 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001277275251 1311905606 /nfs/dbraw/zinc/90/56/06/1311905606.db2.gz PCQJEOPOSADFSR-IBGZPJMESA-N 2 1 347.547 2.997 10 30 EFEEMP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001277279884 1311915259 /nfs/dbraw/zinc/91/52/59/1311915259.db2.gz KEPNOLCKTCAULR-IEBWSBKVSA-N 2 1 333.520 2.681 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001277285836 1311920028 /nfs/dbraw/zinc/92/00/28/1311920028.db2.gz QYIXRDOFGYDOPM-RTBURBONSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001277298334 1311945021 /nfs/dbraw/zinc/94/50/21/1311945021.db2.gz CPDPZJQMGKVMNW-SXLOBPIMSA-N 2 1 343.515 2.782 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CCC)C2CCCCCC2)CC1 ZINC001277383022 1312087190 /nfs/dbraw/zinc/08/71/90/1312087190.db2.gz WKGOOXQSIGKBMD-UHFFFAOYSA-N 2 1 347.547 2.883 10 30 EFEEMP C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001277388594 1312098037 /nfs/dbraw/zinc/09/80/37/1312098037.db2.gz QBBMTTXAANGQIR-QZTJIDSGSA-N 2 1 342.487 2.792 10 30 EFEEMP C#CCC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001277398223 1312112417 /nfs/dbraw/zinc/11/24/17/1312112417.db2.gz GLGNJNLOVHATDV-HXUWFJFHSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001277398223 1312112420 /nfs/dbraw/zinc/11/24/20/1312112420.db2.gz GLGNJNLOVHATDV-HXUWFJFHSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001277398223 1312112421 /nfs/dbraw/zinc/11/24/21/1312112421.db2.gz GLGNJNLOVHATDV-HXUWFJFHSA-N 2 1 345.531 2.587 10 30 EFEEMP C=C(C)CC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001277430214 1312158298 /nfs/dbraw/zinc/15/82/98/1312158298.db2.gz ZRUMOTQFPIJRNR-RTBURBONSA-N 2 1 333.520 2.892 10 30 EFEEMP C=C(C)CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001277430214 1312158300 /nfs/dbraw/zinc/15/83/00/1312158300.db2.gz ZRUMOTQFPIJRNR-RTBURBONSA-N 2 1 333.520 2.892 10 30 EFEEMP C=C(C)CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001277430214 1312158302 /nfs/dbraw/zinc/15/83/02/1312158302.db2.gz ZRUMOTQFPIJRNR-RTBURBONSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001277441089 1312175232 /nfs/dbraw/zinc/17/52/32/1312175232.db2.gz KAHWBQYRLUOZJJ-PKOBYXMFSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH]cn3)C2)C1 ZINC001277516263 1312506107 /nfs/dbraw/zinc/50/61/07/1312506107.db2.gz IDQUQLJJSQIAJS-VQIMIIECSA-N 2 1 330.476 2.621 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(CCN(C(=O)CCc3cnc[nH]3)C2)C1 ZINC001277516263 1312506111 /nfs/dbraw/zinc/50/61/11/1312506111.db2.gz IDQUQLJJSQIAJS-VQIMIIECSA-N 2 1 330.476 2.621 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)CCc3cnc[nH]3)C2)C1 ZINC001277516263 1312506115 /nfs/dbraw/zinc/50/61/15/1312506115.db2.gz IDQUQLJJSQIAJS-VQIMIIECSA-N 2 1 330.476 2.621 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001277525574 1312512207 /nfs/dbraw/zinc/51/22/07/1312512207.db2.gz SLJQISRPJFYBJM-LJQANCHMSA-N 2 1 331.504 2.505 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CC[C@]2(CCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001277537854 1312527794 /nfs/dbraw/zinc/52/77/94/1312527794.db2.gz NOUGSDVEBICEPG-ICSRJNTNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001277537854 1312527798 /nfs/dbraw/zinc/52/77/98/1312527798.db2.gz NOUGSDVEBICEPG-ICSRJNTNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001277537854 1312527802 /nfs/dbraw/zinc/52/78/02/1312527802.db2.gz NOUGSDVEBICEPG-ICSRJNTNSA-N 2 1 335.536 2.997 10 30 EFEEMP C#CC[NH2+]CCC[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001277547054 1312542212 /nfs/dbraw/zinc/54/22/12/1312542212.db2.gz CTNMVBHTPXVNTC-IHPCNDPISA-N 2 1 341.499 2.577 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001277609876 1312621469 /nfs/dbraw/zinc/62/14/69/1312621469.db2.gz IMAJHBKTHJITHK-VQIMIIECSA-N 2 1 333.520 2.891 10 30 EFEEMP C=CCCCCC[NH+]1CC(N(C)C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001277618538 1312632078 /nfs/dbraw/zinc/63/20/78/1312632078.db2.gz VOACHNJDDJLCMD-IEBWSBKVSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCCCC[NH+]1CC(N(C)C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001277618538 1312632080 /nfs/dbraw/zinc/63/20/80/1312632080.db2.gz VOACHNJDDJLCMD-IEBWSBKVSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCCCC[NH+]1CC(N(C)C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001277618540 1312632279 /nfs/dbraw/zinc/63/22/79/1312632279.db2.gz VOACHNJDDJLCMD-PKOBYXMFSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCCCC[NH+]1CC(N(C)C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001277618540 1312632282 /nfs/dbraw/zinc/63/22/82/1312632282.db2.gz VOACHNJDDJLCMD-PKOBYXMFSA-N 2 1 333.520 2.892 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](C[C@H](C)CC(C)C)C2)CC1 ZINC001278449769 1314633054 /nfs/dbraw/zinc/63/30/54/1314633054.db2.gz ILOMXLQGNXQSPL-WIYYLYMNSA-N 2 1 347.547 2.594 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H](F)C[NH+](CC)CC)CCC[C@H]12 ZINC001278451121 1314636544 /nfs/dbraw/zinc/63/65/44/1314636544.db2.gz HCJWQLNJAIBHMZ-JENIJYKNSA-N 2 1 339.499 2.746 10 30 EFEEMP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001278550683 1315175255 /nfs/dbraw/zinc/17/52/55/1315175255.db2.gz XOQYCWRQROIMHU-OALUTQOASA-N 2 1 339.499 2.603 10 30 EFEEMP C=C(C)CC[NH+]1CCC(C)(CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001278610626 1315287757 /nfs/dbraw/zinc/28/77/57/1315287757.db2.gz DOSAAXLJVNYZMC-HZPDHXFCSA-N 2 1 330.476 2.698 10 30 EFEEMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1(C)C ZINC001278668656 1315456021 /nfs/dbraw/zinc/45/60/21/1315456021.db2.gz ZPMARUDLBOBEEP-SJLPKXTDSA-N 2 1 344.503 2.547 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001278682037 1315504169 /nfs/dbraw/zinc/50/41/69/1315504169.db2.gz QIPRDDBCJWASJP-HXUWFJFHSA-N 2 1 335.536 2.903 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001278686755 1315527740 /nfs/dbraw/zinc/52/77/40/1315527740.db2.gz NAOKTEUOOIBQQD-OAQYLSRUSA-N 2 1 347.547 2.903 10 30 EFEEMP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001278692742 1315556199 /nfs/dbraw/zinc/55/61/99/1315556199.db2.gz BXXMZGQLJSBLDV-CTNGQTDRSA-N 2 1 341.499 2.531 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001278692742 1315556202 /nfs/dbraw/zinc/55/62/02/1315556202.db2.gz BXXMZGQLJSBLDV-CTNGQTDRSA-N 2 1 341.499 2.531 10 30 EFEEMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001318443001 1328593735 /nfs/dbraw/zinc/59/37/35/1328593735.db2.gz OXXNYNUJGHKALK-RBUKOAKNSA-N 2 1 329.488 2.788 10 30 EFEEMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001318443001 1328593736 /nfs/dbraw/zinc/59/37/36/1328593736.db2.gz OXXNYNUJGHKALK-RBUKOAKNSA-N 2 1 329.488 2.788 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001318443001 1328593740 /nfs/dbraw/zinc/59/37/40/1328593740.db2.gz OXXNYNUJGHKALK-RBUKOAKNSA-N 2 1 329.488 2.788 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001318443001 1328593743 /nfs/dbraw/zinc/59/37/43/1328593743.db2.gz OXXNYNUJGHKALK-RBUKOAKNSA-N 2 1 329.488 2.788 10 30 EFEEMP C=CCCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001278747763 1315650980 /nfs/dbraw/zinc/65/09/80/1315650980.db2.gz SZFJYHFIAMRVKW-OAHLLOKOSA-N 2 1 343.462 2.510 10 30 EFEEMP C#CC[NH+]1CCC(CCCCCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001281056137 1316197663 /nfs/dbraw/zinc/19/76/63/1316197663.db2.gz SWGMIPKCKJZRQO-VQTJNVASSA-N 2 1 347.547 2.739 10 30 EFEEMP C=C(Cl)C[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)CCC ZINC001263957299 1316575350 /nfs/dbraw/zinc/57/53/50/1316575350.db2.gz BRRWUWRXKSTPHB-HOCLYGCPSA-N 2 1 329.916 2.688 10 30 EFEEMP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001264390657 1316611261 /nfs/dbraw/zinc/61/12/61/1316611261.db2.gz CBSUWOFSGMLVRF-KURKYZTESA-N 2 1 333.520 2.702 10 30 EFEEMP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCCn1cc[nH+]c1C ZINC001264561535 1316632133 /nfs/dbraw/zinc/63/21/33/1316632133.db2.gz QJWFQYZGVSNKHT-AEFFLSMTSA-N 2 1 332.492 2.765 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C(C)(C)[C@@H]21 ZINC001264585599 1316635633 /nfs/dbraw/zinc/63/56/33/1316635633.db2.gz DONNHQKDUGRFLQ-KZNAEPCWSA-N 2 1 347.547 2.900 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C(C)(C)[C@H]21 ZINC001264585598 1316635771 /nfs/dbraw/zinc/63/57/71/1316635771.db2.gz DONNHQKDUGRFLQ-KURKYZTESA-N 2 1 347.547 2.900 10 30 EFEEMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001264685311 1316656134 /nfs/dbraw/zinc/65/61/34/1316656134.db2.gz DOKJXZNCAXQNMH-LJQANCHMSA-N 2 1 329.488 2.665 10 30 EFEEMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001264685311 1316656136 /nfs/dbraw/zinc/65/61/36/1316656136.db2.gz DOKJXZNCAXQNMH-LJQANCHMSA-N 2 1 329.488 2.665 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001281087850 1316675484 /nfs/dbraw/zinc/67/54/84/1316675484.db2.gz NWGKLENZAQOQOE-IBGZPJMESA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001281087939 1316680902 /nfs/dbraw/zinc/68/09/02/1316680902.db2.gz OQKQDDLQHRWJJY-IEBWSBKVSA-N 2 1 339.499 2.557 10 30 EFEEMP C=C(C)C[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001265390265 1316794995 /nfs/dbraw/zinc/79/49/95/1316794995.db2.gz ASZQRVYPBUVTSJ-RTBURBONSA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001265390265 1316794996 /nfs/dbraw/zinc/79/49/96/1316794996.db2.gz ASZQRVYPBUVTSJ-RTBURBONSA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001265390265 1316794999 /nfs/dbraw/zinc/79/49/99/1316794999.db2.gz ASZQRVYPBUVTSJ-RTBURBONSA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001265390522 1316795670 /nfs/dbraw/zinc/79/56/70/1316795670.db2.gz GYGWQZZXSWDDPR-RBUKOAKNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001265390522 1316795671 /nfs/dbraw/zinc/79/56/71/1316795671.db2.gz GYGWQZZXSWDDPR-RBUKOAKNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001265390522 1316795672 /nfs/dbraw/zinc/79/56/72/1316795672.db2.gz GYGWQZZXSWDDPR-RBUKOAKNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001265394526 1316797720 /nfs/dbraw/zinc/79/77/20/1316797720.db2.gz DCXDODUQQYBGRZ-ZWKOTPCHSA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001265522639 1316818758 /nfs/dbraw/zinc/81/87/58/1316818758.db2.gz ACLNCSFKKXOKFB-ZWKOTPCHSA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001265522639 1316818760 /nfs/dbraw/zinc/81/87/60/1316818760.db2.gz ACLNCSFKKXOKFB-ZWKOTPCHSA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)CC[NH2+]CC1(NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CCCC1 ZINC001318665443 1328664112 /nfs/dbraw/zinc/66/41/12/1328664112.db2.gz ZKPPDAJNRLYROJ-ZWKOTPCHSA-N 2 1 333.520 2.988 10 30 EFEEMP C=CCC[C@H](C)[NH2+]C[C@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001265675349 1316851400 /nfs/dbraw/zinc/85/14/00/1316851400.db2.gz GLRZGGIKSBUCOE-JKSUJKDBSA-N 2 1 348.491 2.675 10 30 EFEEMP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001265692116 1316855583 /nfs/dbraw/zinc/85/55/83/1316855583.db2.gz YOASSUBWHBGPPG-OALUTQOASA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001265727165 1316867505 /nfs/dbraw/zinc/86/75/05/1316867505.db2.gz RMZMMDAUSBBXQH-ZSXDVEMLSA-N 2 1 333.520 2.508 10 30 EFEEMP C=CCC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001265736529 1316868850 /nfs/dbraw/zinc/86/88/50/1316868850.db2.gz YSKHYKUIJRQEBO-FAFZWHIHSA-N 2 1 333.520 2.987 10 30 EFEEMP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001265744507 1316870538 /nfs/dbraw/zinc/87/05/38/1316870538.db2.gz KEWSJNMZJBKMNG-CTWPCTMYSA-N 2 1 329.488 2.882 10 30 EFEEMP C=C(Cl)C[NH2+]CCc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001266085250 1317011815 /nfs/dbraw/zinc/01/18/15/1317011815.db2.gz YVWBLGSIMIMITN-GOSISDBHSA-N 2 1 349.906 2.672 10 30 EFEEMP C=CCC[NH+](C)[C@H]1CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001266110102 1317049592 /nfs/dbraw/zinc/04/95/92/1317049592.db2.gz ANRWPGIVRFKFMD-LPHOPBHVSA-N 2 1 339.499 2.698 10 30 EFEEMP C=CCC[NH+](C)[C@H]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001266110102 1317049602 /nfs/dbraw/zinc/04/96/02/1317049602.db2.gz ANRWPGIVRFKFMD-LPHOPBHVSA-N 2 1 339.499 2.698 10 30 EFEEMP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001266110787 1317052327 /nfs/dbraw/zinc/05/23/27/1317052327.db2.gz PBAXXSQGXYEQMG-MSOLQXFVSA-N 2 1 344.503 2.643 10 30 EFEEMP C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001266110787 1317052332 /nfs/dbraw/zinc/05/23/32/1317052332.db2.gz PBAXXSQGXYEQMG-MSOLQXFVSA-N 2 1 344.503 2.643 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001266184008 1317130073 /nfs/dbraw/zinc/13/00/73/1317130073.db2.gz ZVSJGWFRQPSPTN-QUCCMNQESA-N 2 1 347.547 2.689 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001266184008 1317130076 /nfs/dbraw/zinc/13/00/76/1317130076.db2.gz ZVSJGWFRQPSPTN-QUCCMNQESA-N 2 1 347.547 2.689 10 30 EFEEMP C=C(C)C[NH2+]C[C@@]1(NC(=O)c2cc(C[NH+](C)C)on2)CCCC[C@@H]1C ZINC001318745007 1328684887 /nfs/dbraw/zinc/68/48/87/1328684887.db2.gz LNEFDYSKSSTZTC-KXBFYZLASA-N 2 1 348.491 2.581 10 30 EFEEMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1C(F)(F)F ZINC001279182832 1317205297 /nfs/dbraw/zinc/20/52/97/1317205297.db2.gz YPXXPIKHBDBWKH-LSDHHAIUSA-N 2 1 349.441 2.662 10 30 EFEEMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1C(F)(F)F ZINC001279182831 1317205633 /nfs/dbraw/zinc/20/56/33/1317205633.db2.gz YPXXPIKHBDBWKH-HUUCEWRRSA-N 2 1 349.441 2.662 10 30 EFEEMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@H]2C1 ZINC001279415997 1317260129 /nfs/dbraw/zinc/26/01/29/1317260129.db2.gz HPMJAMZWXSNEHK-ZCNNSNEGSA-N 2 1 347.547 2.853 10 30 EFEEMP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001280162044 1317466670 /nfs/dbraw/zinc/46/66/70/1317466670.db2.gz CJASGTQQQYTFKT-HKUYNNGSSA-N 2 1 333.520 2.798 10 30 EFEEMP CCCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001280394798 1317541582 /nfs/dbraw/zinc/54/15/82/1317541582.db2.gz ZDADIBSQDHCXSZ-SFHVURJKSA-N 2 1 335.536 2.833 10 30 EFEEMP C=C(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001318805860 1328707616 /nfs/dbraw/zinc/70/76/16/1328707616.db2.gz SMMHRWNSSFVVEY-GBESFXJTSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCC[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)C1 ZINC001280890693 1317882530 /nfs/dbraw/zinc/88/25/30/1317882530.db2.gz XKKJDLSCSIDTGK-MOPGFXCFSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001280890693 1317882536 /nfs/dbraw/zinc/88/25/36/1317882536.db2.gz XKKJDLSCSIDTGK-MOPGFXCFSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001280890693 1317882541 /nfs/dbraw/zinc/88/25/41/1317882541.db2.gz XKKJDLSCSIDTGK-MOPGFXCFSA-N 2 1 335.536 2.996 10 30 EFEEMP C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001280890217 1317882990 /nfs/dbraw/zinc/88/29/90/1317882990.db2.gz VNZJZTPPKJOLFQ-WOJBJXKFSA-N 2 1 345.531 2.589 10 30 EFEEMP C=C(C)C[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001281030814 1317981558 /nfs/dbraw/zinc/98/15/58/1317981558.db2.gz AUQARZOMJIJMTN-ZWKOTPCHSA-N 2 1 333.520 2.940 10 30 EFEEMP C=C(C)CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001281072166 1318006466 /nfs/dbraw/zinc/00/64/66/1318006466.db2.gz NGHMRZLZSAVHPZ-HXUWFJFHSA-N 2 1 341.499 2.592 10 30 EFEEMP C=CC[NH2+]CCC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001318936838 1328745397 /nfs/dbraw/zinc/74/53/97/1328745397.db2.gz DAYSEHMCCNAVNC-LJQANCHMSA-N 2 1 329.488 2.694 10 30 EFEEMP C=CC[NH+]1Cc2ccc(CNC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)cc2C1 ZINC001281304838 1318162004 /nfs/dbraw/zinc/16/20/04/1318162004.db2.gz GLPMLCKFIOPENP-IYBDPMFKSA-N 2 1 327.472 2.677 10 30 EFEEMP C=CC[NH+]1Cc2ccc(CNC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)cc2C1 ZINC001281304838 1318162008 /nfs/dbraw/zinc/16/20/08/1318162008.db2.gz GLPMLCKFIOPENP-IYBDPMFKSA-N 2 1 327.472 2.677 10 30 EFEEMP C=CC[N@H+]1Cc2ccc(CNC(=O)C[NH+]3[C@H](C)CC[C@@H]3C)cc2C1 ZINC001281304838 1318162012 /nfs/dbraw/zinc/16/20/12/1318162012.db2.gz GLPMLCKFIOPENP-IYBDPMFKSA-N 2 1 327.472 2.677 10 30 EFEEMP C=CC[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3[C@H](C)CC[C@@H]3C)cc2C1 ZINC001281304838 1318162016 /nfs/dbraw/zinc/16/20/16/1318162016.db2.gz GLPMLCKFIOPENP-IYBDPMFKSA-N 2 1 327.472 2.677 10 30 EFEEMP C=CC[N@H+]1Cc2ccc(CNC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)cc2C1 ZINC001281304831 1318162949 /nfs/dbraw/zinc/16/29/49/1318162949.db2.gz GLPMLCKFIOPENP-HOTGVXAUSA-N 2 1 327.472 2.677 10 30 EFEEMP C=CC[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)cc2C1 ZINC001281304831 1318162958 /nfs/dbraw/zinc/16/29/58/1318162958.db2.gz GLPMLCKFIOPENP-HOTGVXAUSA-N 2 1 327.472 2.677 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]cn2)C(C)(C)C1 ZINC001281554286 1318445071 /nfs/dbraw/zinc/44/50/71/1318445071.db2.gz AZSFCJKMCJWFBN-DOTOQJQBSA-N 2 1 332.492 2.914 10 30 EFEEMP 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ZINC001281942294 1318635019 /nfs/dbraw/zinc/63/50/19/1318635019.db2.gz PKQSRAJPJZMGCC-GOSISDBHSA-N 2 1 333.520 2.586 10 30 EFEEMP CC#CC[NH+](C)C[C@H]1CCCN1C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001281942294 1318635029 /nfs/dbraw/zinc/63/50/29/1318635029.db2.gz PKQSRAJPJZMGCC-GOSISDBHSA-N 2 1 333.520 2.586 10 30 EFEEMP CC#CC[NH+](C)C[C@H]1CCCN1C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001281942294 1318635042 /nfs/dbraw/zinc/63/50/42/1318635042.db2.gz PKQSRAJPJZMGCC-GOSISDBHSA-N 2 1 333.520 2.586 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001281975172 1318643649 /nfs/dbraw/zinc/64/36/49/1318643649.db2.gz LFZNIDOLGSUZIK-RBUKOAKNSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1C)CC2 ZINC001319145395 1328791104 /nfs/dbraw/zinc/79/11/04/1328791104.db2.gz QMLWZDRLJSDZHF-KRWDZBQOSA-N 2 1 344.503 2.861 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1C)CC2 ZINC001319145395 1328791106 /nfs/dbraw/zinc/79/11/06/1328791106.db2.gz 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C#CCC[NH2+]C[C@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001317188782 1327708177 /nfs/dbraw/zinc/70/81/77/1327708177.db2.gz MASYGMGJXHHPFG-LJQANCHMSA-N 2 1 333.520 2.635 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001317203407 1327732978 /nfs/dbraw/zinc/73/29/78/1327732978.db2.gz LCCWETKYSMOISM-ZWKOTPCHSA-N 2 1 333.520 2.798 10 30 EFEEMP C=C(C)CC[NH2+]C1CCC(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001317219957 1327765738 /nfs/dbraw/zinc/76/57/38/1327765738.db2.gz CUCTURFPHPYQNM-AOCRQIFASA-N 2 1 344.503 2.737 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001317375903 1327921111 /nfs/dbraw/zinc/92/11/11/1327921111.db2.gz MMPGMYROBCWEJS-MSOLQXFVSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001317375906 1327922595 /nfs/dbraw/zinc/92/25/95/1327922595.db2.gz MMPGMYROBCWEJS-QZTJIDSGSA-N 2 1 333.520 2.892 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001317436611 1328024704 /nfs/dbraw/zinc/02/47/04/1328024704.db2.gz ZCGCEKKTOGRLCX-CVEARBPZSA-N 2 1 329.916 2.686 10 30 EFEEMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001317531689 1328117453 /nfs/dbraw/zinc/11/74/53/1328117453.db2.gz BXSMOVNAMFGYRY-PKOBYXMFSA-N 2 1 329.488 2.694 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001317531689 1328117458 /nfs/dbraw/zinc/11/74/58/1328117458.db2.gz BXSMOVNAMFGYRY-PKOBYXMFSA-N 2 1 329.488 2.694 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001317531689 1328117462 /nfs/dbraw/zinc/11/74/62/1328117462.db2.gz BXSMOVNAMFGYRY-PKOBYXMFSA-N 2 1 329.488 2.694 10 30 EFEEMP C#CC[NH2+][C@@H](CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC)c1ccccc1 ZINC001317727775 1328337649 /nfs/dbraw/zinc/33/76/49/1328337649.db2.gz XQOUJKQVBTVMEC-LEWJYISDSA-N 2 1 349.478 2.760 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N(CCC)[C@@H]2CC[N@@H+](CC=C(C)C)C2)CC1 ZINC001317770742 1328367005 /nfs/dbraw/zinc/36/70/05/1328367005.db2.gz ATIOLEDHWRWJNM-HXUWFJFHSA-N 2 1 345.531 2.611 10 30 EFEEMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001317835035 1328405358 /nfs/dbraw/zinc/40/53/58/1328405358.db2.gz BNUFHUUUFAIGFE-QZTJIDSGSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001317835035 1328405361 /nfs/dbraw/zinc/40/53/61/1328405361.db2.gz BNUFHUUUFAIGFE-QZTJIDSGSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001317835035 1328405366 /nfs/dbraw/zinc/40/53/66/1328405366.db2.gz BNUFHUUUFAIGFE-QZTJIDSGSA-N 2 1 333.520 2.607 10 30 EFEEMP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001317848631 1328415709 /nfs/dbraw/zinc/41/57/09/1328415709.db2.gz OMSGTEONOGITTA-AZUAARDMSA-N 2 1 345.531 2.587 10 30 EFEEMP CC#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001317848631 1328415712 /nfs/dbraw/zinc/41/57/12/1328415712.db2.gz OMSGTEONOGITTA-AZUAARDMSA-N 2 1 345.531 2.587 10 30 EFEEMP CC#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001317848631 1328415715 /nfs/dbraw/zinc/41/57/15/1328415715.db2.gz OMSGTEONOGITTA-AZUAARDMSA-N 2 1 345.531 2.587 10 30 EFEEMP C=CCCC[N@H+](C)C[C@H](C)NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001322243883 1329440501 /nfs/dbraw/zinc/44/05/01/1329440501.db2.gz JEHNOCPFRAPBHV-YJBOKZPZSA-N 2 1 327.488 2.602 10 30 EFEEMP C=CCCC[NH+](C)C[C@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001322243883 1329440503 /nfs/dbraw/zinc/44/05/03/1329440503.db2.gz JEHNOCPFRAPBHV-YJBOKZPZSA-N 2 1 327.488 2.602 10 30 EFEEMP C=CCCC[NH+](C)C[C@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001322243883 1329440506 /nfs/dbraw/zinc/44/05/06/1329440506.db2.gz JEHNOCPFRAPBHV-YJBOKZPZSA-N 2 1 327.488 2.602 10 30 EFEEMP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001323540452 1329550317 /nfs/dbraw/zinc/55/03/17/1329550317.db2.gz CUHBCNZVAGSJHP-KXBFYZLASA-N 2 1 339.499 2.792 10 30 EFEEMP CC#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC2)C1 ZINC001323637356 1329556892 /nfs/dbraw/zinc/55/68/92/1329556892.db2.gz KXBIOARYMHODOE-PMACEKPBSA-N 2 1 347.547 2.691 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001323643014 1329558331 /nfs/dbraw/zinc/55/83/31/1329558331.db2.gz OSROERJPIYFXJS-RBUKOAKNSA-N 2 1 333.520 2.751 10 30 EFEEMP CC#CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001323645075 1329558434 /nfs/dbraw/zinc/55/84/34/1329558434.db2.gz XKGPNNDGGODQCH-WOJBJXKFSA-N 2 1 345.531 2.589 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001323644742 1329558732 /nfs/dbraw/zinc/55/87/32/1329558732.db2.gz WNVYLIOHVJMLJQ-PMACEKPBSA-N 2 1 347.547 2.997 10 30 EFEEMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001323736055 1329566479 /nfs/dbraw/zinc/56/64/79/1329566479.db2.gz IVVLHHQSZCNLPJ-GOSISDBHSA-N 2 1 345.531 2.587 10 30 EFEEMP C=CCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001323804065 1329572419 /nfs/dbraw/zinc/57/24/19/1329572419.db2.gz RLGSNNYIIHDKLB-QKNQBKEWSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001323804065 1329572421 /nfs/dbraw/zinc/57/24/21/1329572421.db2.gz RLGSNNYIIHDKLB-QKNQBKEWSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001323804065 1329572422 /nfs/dbraw/zinc/57/24/22/1329572422.db2.gz RLGSNNYIIHDKLB-QKNQBKEWSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001323816054 1329574637 /nfs/dbraw/zinc/57/46/37/1329574637.db2.gz LQHVOUGEYLBZJM-FQEVSTJZSA-N 2 1 335.536 2.999 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001323860832 1329580837 /nfs/dbraw/zinc/58/08/37/1329580837.db2.gz WXZSFPQCQKJIMR-NRFANRHFSA-N 2 1 347.547 2.999 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001324225023 1329609234 /nfs/dbraw/zinc/60/92/34/1329609234.db2.gz GJLOJCGDTJWESY-LPHOPBHVSA-N 2 1 339.499 2.746 10 30 EFEEMP C=CCCC[NH+]1CCC(C)(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001324329429 1329617301 /nfs/dbraw/zinc/61/73/01/1329617301.db2.gz RBOJKIKZQAKPNJ-KRWDZBQOSA-N 2 1 344.503 2.691 10 30 EFEEMP C=CCCC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001324332780 1329617576 /nfs/dbraw/zinc/61/75/76/1329617576.db2.gz CAQVXZDYTRDTET-QZTJIDSGSA-N 2 1 333.520 2.940 10 30 EFEEMP C=C(C)C[NH+]1CCC(C)(NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001324351688 1329618602 /nfs/dbraw/zinc/61/86/02/1329618602.db2.gz FYRALOAAZHBNIT-UHFFFAOYSA-N 2 1 329.488 2.665 10 30 EFEEMP C=C(C)C[NH+]1CCC(C)(NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001324351688 1329618603 /nfs/dbraw/zinc/61/86/03/1329618603.db2.gz FYRALOAAZHBNIT-UHFFFAOYSA-N 2 1 329.488 2.665 10 30 EFEEMP C#CCN(C(=O)CCc1cnc[nH]1)C1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001324396099 1329623356 /nfs/dbraw/zinc/62/33/56/1329623356.db2.gz DHTPSPQNIUYELI-QGZVFWFLSA-N 2 1 342.487 2.623 10 30 EFEEMP C#CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001324413180 1329625123 /nfs/dbraw/zinc/62/51/23/1329625123.db2.gz JCHGVORLZNDGKT-QUCCMNQESA-N 2 1 345.531 2.752 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001324646049 1329647702 /nfs/dbraw/zinc/64/77/02/1329647702.db2.gz FTYOZWUZFSUEIC-OAQYLSRUSA-N 2 1 343.515 2.708 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001324646049 1329647704 /nfs/dbraw/zinc/64/77/04/1329647704.db2.gz FTYOZWUZFSUEIC-OAQYLSRUSA-N 2 1 343.515 2.708 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001324646049 1329647706 /nfs/dbraw/zinc/64/77/06/1329647706.db2.gz FTYOZWUZFSUEIC-OAQYLSRUSA-N 2 1 343.515 2.708 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001324646049 1329647708 /nfs/dbraw/zinc/64/77/08/1329647708.db2.gz FTYOZWUZFSUEIC-OAQYLSRUSA-N 2 1 343.515 2.708 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@@](C)(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001324655285 1329648751 /nfs/dbraw/zinc/64/87/51/1329648751.db2.gz AHLKBDOAKARLLT-VQIMIIECSA-N 2 1 332.492 2.907 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001324655285 1329648752 /nfs/dbraw/zinc/64/87/52/1329648752.db2.gz AHLKBDOAKARLLT-VQIMIIECSA-N 2 1 332.492 2.907 10 30 EFEEMP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1CCC)c1ccccc1CC ZINC001325361588 1329682538 /nfs/dbraw/zinc/68/25/38/1329682538.db2.gz IQMNJIMPCVVZOE-UXHICEINSA-N 2 1 341.499 2.504 10 30 EFEEMP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CCC)c1ccccc1CC ZINC001325361588 1329682540 /nfs/dbraw/zinc/68/25/40/1329682540.db2.gz IQMNJIMPCVVZOE-UXHICEINSA-N 2 1 341.499 2.504 10 30 EFEEMP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)c1ccccc1CC ZINC001325367793 1329683497 /nfs/dbraw/zinc/68/34/97/1329683497.db2.gz ZKUVNEBXLCTVDD-PMACEKPBSA-N 2 1 341.499 2.504 10 30 EFEEMP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)c1ccccc1CC ZINC001325367793 1329683499 /nfs/dbraw/zinc/68/34/99/1329683499.db2.gz ZKUVNEBXLCTVDD-PMACEKPBSA-N 2 1 341.499 2.504 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@H]2C1 ZINC001325778397 1329712639 /nfs/dbraw/zinc/71/26/39/1329712639.db2.gz HFIZDOTYJAXSEI-SLFFLAALSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)CC(C)(C)C ZINC001325918986 1329724328 /nfs/dbraw/zinc/72/43/28/1329724328.db2.gz FZWSTGYXWTVNHB-ZWKOTPCHSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001325918986 1329724329 /nfs/dbraw/zinc/72/43/29/1329724329.db2.gz FZWSTGYXWTVNHB-ZWKOTPCHSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001325918986 1329724330 /nfs/dbraw/zinc/72/43/30/1329724330.db2.gz FZWSTGYXWTVNHB-ZWKOTPCHSA-N 2 1 335.536 2.996 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCCCC)CC1 ZINC001326521713 1330309873 /nfs/dbraw/zinc/30/98/73/1330309873.db2.gz ODRMJHFIJPPHJP-FHWLQOOXSA-N 2 1 333.520 2.539 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCCCC)CC1 ZINC001326521713 1330309880 /nfs/dbraw/zinc/30/98/80/1330309880.db2.gz ODRMJHFIJPPHJP-FHWLQOOXSA-N 2 1 333.520 2.539 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)CC1CCCCCC1 ZINC001327213358 1330442447 /nfs/dbraw/zinc/44/24/47/1330442447.db2.gz QOOSXEAECWIZSL-FQEVSTJZSA-N 2 1 347.547 2.835 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)CC1CCCCCC1 ZINC001327213358 1330442450 /nfs/dbraw/zinc/44/24/50/1330442450.db2.gz QOOSXEAECWIZSL-FQEVSTJZSA-N 2 1 347.547 2.835 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)CC1CCCCCC1 ZINC001327213358 1330442453 /nfs/dbraw/zinc/44/24/53/1330442453.db2.gz QOOSXEAECWIZSL-FQEVSTJZSA-N 2 1 347.547 2.835 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)CC1CCCCCC1 ZINC001327213358 1330442456 /nfs/dbraw/zinc/44/24/56/1330442456.db2.gz QOOSXEAECWIZSL-FQEVSTJZSA-N 2 1 347.547 2.835 10 30 EFEEMP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCCn2ccnc2)C1 ZINC001327307908 1330456764 /nfs/dbraw/zinc/45/67/64/1330456764.db2.gz HCTVJHMFWMJAOE-OALUTQOASA-N 2 1 344.503 2.942 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CCCCC)CC1 ZINC001327455176 1330480638 /nfs/dbraw/zinc/48/06/38/1330480638.db2.gz JKXNCSZIARADEF-SFHVURJKSA-N 2 1 333.520 2.635 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CCCCC)CC1 ZINC001327455176 1330480643 /nfs/dbraw/zinc/48/06/43/1330480643.db2.gz JKXNCSZIARADEF-SFHVURJKSA-N 2 1 333.520 2.635 10 30 EFEEMP C=CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001327475778 1330484937 /nfs/dbraw/zinc/48/49/37/1330484937.db2.gz ZFMAABAHLFCJLH-KRWDZBQOSA-N 2 1 344.503 2.691 10 30 EFEEMP C#CC[NH+]1CCC(CCCCCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001327498558 1330488130 /nfs/dbraw/zinc/48/81/30/1330488130.db2.gz BPFFVECHMDOXLS-HXUWFJFHSA-N 2 1 347.547 2.881 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001327530845 1330495946 /nfs/dbraw/zinc/49/59/46/1330495946.db2.gz QADTXQDJASJXEN-NQIIRXRSSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001327531810 1330496251 /nfs/dbraw/zinc/49/62/51/1330496251.db2.gz UPQNTACRESHFBT-FQEVSTJZSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001327531810 1330496252 /nfs/dbraw/zinc/49/62/52/1330496252.db2.gz UPQNTACRESHFBT-FQEVSTJZSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001327531810 1330496253 /nfs/dbraw/zinc/49/62/53/1330496253.db2.gz UPQNTACRESHFBT-FQEVSTJZSA-N 2 1 333.520 2.751 10 30 EFEEMP C#CCC[NH+]1Cc2ccc(CNC(=O)CC[C@@H]3CCC[N@@H+]3C)cc2C1 ZINC001327684379 1330508575 /nfs/dbraw/zinc/50/85/75/1330508575.db2.gz CTWVEIPGFLTATG-FQEVSTJZSA-N 2 1 339.483 2.516 10 30 EFEEMP C#CCC[N@H+]1Cc2ccc(CNC(=O)CC[C@@H]3CCC[NH+]3C)cc2C1 ZINC001327684379 1330508578 /nfs/dbraw/zinc/50/85/78/1330508578.db2.gz CTWVEIPGFLTATG-FQEVSTJZSA-N 2 1 339.483 2.516 10 30 EFEEMP C#CCC[N@@H+]1Cc2ccc(CNC(=O)CC[C@@H]3CCC[NH+]3C)cc2C1 ZINC001327684379 1330508582 /nfs/dbraw/zinc/50/85/82/1330508582.db2.gz CTWVEIPGFLTATG-FQEVSTJZSA-N 2 1 339.483 2.516 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCCn2ccnc2C)C(C)(C)C1 ZINC001328099348 1330555770 /nfs/dbraw/zinc/55/57/70/1330555770.db2.gz UHKXLKIKRUDFAF-QGZVFWFLSA-N 2 1 332.492 2.765 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C(C)(C)C1 ZINC001328099348 1330555773 /nfs/dbraw/zinc/55/57/73/1330555773.db2.gz UHKXLKIKRUDFAF-QGZVFWFLSA-N 2 1 332.492 2.765 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C(C)(C)C1 ZINC001328099348 1330555776 /nfs/dbraw/zinc/55/57/76/1330555776.db2.gz UHKXLKIKRUDFAF-QGZVFWFLSA-N 2 1 332.492 2.765 10 30 EFEEMP C=CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001328467339 1330594392 /nfs/dbraw/zinc/59/43/92/1330594392.db2.gz 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CC#CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001328588517 1330605588 /nfs/dbraw/zinc/60/55/88/1330605588.db2.gz WLPBVGMELHEVNP-HXUWFJFHSA-N 2 1 347.547 2.833 10 30 EFEEMP CC#CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001328588337 1330605794 /nfs/dbraw/zinc/60/57/94/1330605794.db2.gz CTSXHDKDZOZRTQ-UXHICEINSA-N 2 1 347.547 2.691 10 30 EFEEMP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001328737774 1330624145 /nfs/dbraw/zinc/62/41/45/1330624145.db2.gz QFAVOBIXZQGYSB-SJORKVTESA-N 2 1 332.492 2.896 10 30 EFEEMP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001328737774 1330624148 /nfs/dbraw/zinc/62/41/48/1330624148.db2.gz QFAVOBIXZQGYSB-SJORKVTESA-N 2 1 332.492 2.896 10 30 EFEEMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC2)C1 ZINC001328812990 1330637555 /nfs/dbraw/zinc/63/75/55/1330637555.db2.gz TVCMZBGTAYEXEW-UXHICEINSA-N 2 1 347.547 2.691 10 30 EFEEMP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001328870064 1330642035 /nfs/dbraw/zinc/64/20/35/1330642035.db2.gz ZDAYLSVYOOQOIP-FAFZWHIHSA-N 2 1 333.520 2.844 10 30 EFEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001329203470 1330680500 /nfs/dbraw/zinc/68/05/00/1330680500.db2.gz SXPKKQXDVCADOV-CVEARBPZSA-N 2 1 349.906 2.515 10 30 EFEEMP C#CC[NH2+]CCC[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001331175884 1330801935 /nfs/dbraw/zinc/80/19/35/1330801935.db2.gz DPGYHCMPHCSGKS-VQTJNVASSA-N 2 1 341.499 2.720 10 30 EFEEMP CC#CC[NH2+]CCC[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001331177433 1330802861 /nfs/dbraw/zinc/80/28/61/1330802861.db2.gz UOZMAWTUJFRSKJ-VQTJNVASSA-N 2 1 341.499 2.721 10 30 EFEEMP C=CCCC[NH2+][C@H](C)CN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001331559418 1330852496 /nfs/dbraw/zinc/85/24/96/1330852496.db2.gz FFPKMBHIEOQZPG-QAPCUYQASA-N 2 1 327.488 2.602 10 30 EFEEMP C=CCCC[NH2+][C@H](C)CN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001331559414 1330852582 /nfs/dbraw/zinc/85/25/82/1330852582.db2.gz FFPKMBHIEOQZPG-CRAIPNDOSA-N 2 1 327.488 2.602 10 30 EFEEMP C=CCCCCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)C3)CCC[C@H]12 ZINC001332118291 1330923692 /nfs/dbraw/zinc/92/36/92/1330923692.db2.gz NRDVNFDMJAFJQY-WSTZPKSXSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC001332118291 1330923694 /nfs/dbraw/zinc/92/36/94/1330923694.db2.gz NRDVNFDMJAFJQY-WSTZPKSXSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC001332118291 1330923696 /nfs/dbraw/zinc/92/36/96/1330923696.db2.gz NRDVNFDMJAFJQY-WSTZPKSXSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCCCCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001332118288 1330924099 /nfs/dbraw/zinc/92/40/99/1330924099.db2.gz NRDVNFDMJAFJQY-QWFCFKBJSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001332118288 1330924101 /nfs/dbraw/zinc/92/41/01/1330924101.db2.gz NRDVNFDMJAFJQY-QWFCFKBJSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001332118288 1330924103 /nfs/dbraw/zinc/92/41/03/1330924103.db2.gz NRDVNFDMJAFJQY-QWFCFKBJSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1(C)C ZINC001332424716 1330970663 /nfs/dbraw/zinc/97/06/63/1330970663.db2.gz UYPALISRTKFPPB-BEFAXECRSA-N 2 1 339.499 2.602 10 30 EFEEMP C=CCC[NH2+]C[C@@H](NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)(C)C ZINC001332859666 1331032261 /nfs/dbraw/zinc/03/22/61/1331032261.db2.gz ZAFZARKAMUZLEE-DNVCBOLYSA-N 2 1 341.515 2.896 10 30 EFEEMP C=C(C)C[N@@H+]1CC=C(CNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001333377363 1331128576 /nfs/dbraw/zinc/12/85/76/1331128576.db2.gz HJYCPGCHDXSPDM-UHFFFAOYSA-N 2 1 333.520 2.823 10 30 EFEEMP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)c(F)c1 ZINC001333473661 1331151783 /nfs/dbraw/zinc/15/17/83/1331151783.db2.gz QFTLJAALNUTDMS-IBGZPJMESA-N 2 1 347.478 2.982 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001366469315 1337612640 /nfs/dbraw/zinc/61/26/40/1337612640.db2.gz GAXQCWWQBFKWKR-GDBMZVCRSA-N 2 1 327.900 2.630 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001366841675 1338102806 /nfs/dbraw/zinc/10/28/06/1338102806.db2.gz MABAWIJBCOXTSZ-IRXDYDNUSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)CN(C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001368402837 1339341087 /nfs/dbraw/zinc/34/10/87/1339341087.db2.gz AXAJFMKVBYYCPV-KRWDZBQOSA-N 2 1 335.879 2.581 10 30 EFEEMP C=C(Cl)CN(C)Cc1ccccc1CNC(=O)[C@@H]1CCCN1C ZINC001368402837 1339341090 /nfs/dbraw/zinc/34/10/90/1339341090.db2.gz AXAJFMKVBYYCPV-KRWDZBQOSA-N 2 1 335.879 2.581 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001368417123 1339350799 /nfs/dbraw/zinc/35/07/99/1339350799.db2.gz WDNBBASKIRNHIJ-YOEHRIQHSA-N 2 1 335.879 2.658 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1CC ZINC001368708080 1339627998 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AIXSRYDQRULBFN-FUHWJXTLSA-N 2 1 349.906 2.700 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1CC ZINC001380663058 1347798073 /nfs/dbraw/zinc/79/80/73/1347798073.db2.gz AIXSRYDQRULBFN-FUHWJXTLSA-N 2 1 349.906 2.700 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001390148927 1353863058 /nfs/dbraw/zinc/86/30/58/1353863058.db2.gz GUKMWMBRQKVFHK-IAGOWNOFSA-N 2 1 341.927 2.973 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001390171495 1353889876 /nfs/dbraw/zinc/88/98/76/1353889876.db2.gz UTQIHKSDCSKRES-IRXDYDNUSA-N 2 1 341.927 2.925 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001390171495 1353889883 /nfs/dbraw/zinc/88/98/83/1353889883.db2.gz UTQIHKSDCSKRES-IRXDYDNUSA-N 2 1 341.927 2.925 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001390171495 1353889888 /nfs/dbraw/zinc/88/98/88/1353889888.db2.gz UTQIHKSDCSKRES-IRXDYDNUSA-N 2 1 341.927 2.925 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001390171495 1353889890 /nfs/dbraw/zinc/88/98/90/1353889890.db2.gz UTQIHKSDCSKRES-IRXDYDNUSA-N 2 1 341.927 2.925 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001390597597 1354194439 /nfs/dbraw/zinc/19/44/39/1354194439.db2.gz ZEUNZSBFWJXWHS-DOTOQJQBSA-N 2 1 339.911 2.584 10 30 EFEEMP C=C(Cl)C[N@@H+](CCC)CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001391145226 1354865686 /nfs/dbraw/zinc/86/56/86/1354865686.db2.gz XOIRXZGDCNJVKA-CVEARBPZSA-N 2 1 329.916 2.688 10 30 EFEEMP C=C(Cl)C[N@H+](CCC)CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001391145232 1354865655 /nfs/dbraw/zinc/86/56/55/1354865655.db2.gz XOIRXZGDCNJVKA-HOTGVXAUSA-N 2 1 329.916 2.688 10 30 EFEEMP C=C(Cl)C[N@@H+](CCC)CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001391145232 1354865661 /nfs/dbraw/zinc/86/56/61/1354865661.db2.gz XOIRXZGDCNJVKA-HOTGVXAUSA-N 2 1 329.916 2.688 10 30 EFEEMP C=C(Cl)C[N@H+](CCC)CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001391145226 1354865682 /nfs/dbraw/zinc/86/56/82/1354865682.db2.gz XOIRXZGDCNJVKA-CVEARBPZSA-N 2 1 329.916 2.688 10 30 EFEEMP C=C(Cl)C[NH2+]CC1(NC(=O)CC[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001391771235 1355515413 /nfs/dbraw/zinc/51/54/13/1355515413.db2.gz YJKRIZGKGUCXEV-OAHLLOKOSA-N 2 1 327.900 2.632 10 30 EFEEMP C=C(Cl)C[NH2+]CC1(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001391771221 1355515742 /nfs/dbraw/zinc/51/57/42/1355515742.db2.gz YJKRIZGKGUCXEV-HNNXBMFYSA-N 2 1 327.900 2.632 10 30 EFEEMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001397034846 1359626959 /nfs/dbraw/zinc/62/69/59/1359626959.db2.gz FFVNTJFJGNHHOH-SOUVJXGZSA-N 2 1 338.883 2.634 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001397176540 1359726343 /nfs/dbraw/zinc/72/63/43/1359726343.db2.gz UZIHRNQRXLLTGX-JKSUJKDBSA-N 2 1 338.883 2.599 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001398447673 1360565559 /nfs/dbraw/zinc/56/55/59/1360565559.db2.gz CPEMIBHEURJHHU-SJORKVTESA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001398447673 1360565561 /nfs/dbraw/zinc/56/55/61/1360565561.db2.gz CPEMIBHEURJHHU-SJORKVTESA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001398447673 1360565562 /nfs/dbraw/zinc/56/55/62/1360565562.db2.gz CPEMIBHEURJHHU-SJORKVTESA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001400150752 1361786345 /nfs/dbraw/zinc/78/63/45/1361786345.db2.gz CFTKGKGKHDZKAC-SJORKVTESA-N 2 1 341.927 2.688 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001400150752 1361786348 /nfs/dbraw/zinc/78/63/48/1361786348.db2.gz CFTKGKGKHDZKAC-SJORKVTESA-N 2 1 341.927 2.688 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001400150752 1361786351 /nfs/dbraw/zinc/78/63/51/1361786351.db2.gz CFTKGKGKHDZKAC-SJORKVTESA-N 2 1 341.927 2.688 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001400208552 1361845287 /nfs/dbraw/zinc/84/52/87/1361845287.db2.gz XUCIPJIUEJEMBQ-DLBZAZTESA-N 2 1 341.927 2.688 10 30 EFEEMP C=C(Cl)C[NH2+]CC1(NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CCCC1 ZINC001400969482 1362308018 /nfs/dbraw/zinc/30/80/18/1362308018.db2.gz AWOBQNCOQJZOQA-HZPDHXFCSA-N 2 1 339.911 2.774 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001401274998 1362619801 /nfs/dbraw/zinc/61/98/01/1362619801.db2.gz YVOWHTSOACYXAA-HZPDHXFCSA-N 2 1 329.916 2.734 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001402319001 1363603564 /nfs/dbraw/zinc/60/35/64/1363603564.db2.gz UGIBUQFAVFANNM-IRXDYDNUSA-N 2 1 339.911 2.630 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001402918152 1364134854 /nfs/dbraw/zinc/13/48/54/1364134854.db2.gz BHMJMTRZSGGDCE-DLBZAZTESA-N 2 1 341.927 2.782 10 30 EFEEMP 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ZINC001404617077 1365718622 /nfs/dbraw/zinc/71/86/22/1365718622.db2.gz JQGONRYUGYXXFX-KRWDZBQOSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CCCCC1 ZINC001405945060 1366984244 /nfs/dbraw/zinc/98/42/44/1366984244.db2.gz FMQJMFHVVMAYOW-YOEHRIQHSA-N 2 1 341.927 2.735 10 30 EFEEMP C=C(Cl)C[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001417814152 1373286162 /nfs/dbraw/zinc/28/61/62/1373286162.db2.gz QBCVEMIKFQKNBF-INIZCTEOSA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001418022174 1373534793 /nfs/dbraw/zinc/53/47/93/1373534793.db2.gz RPAUGOFZJFTZLS-IAGOWNOFSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001418022174 1373534799 /nfs/dbraw/zinc/53/47/99/1373534799.db2.gz RPAUGOFZJFTZLS-IAGOWNOFSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001418732633 1374434332 /nfs/dbraw/zinc/43/43/32/1374434332.db2.gz ISLMJUPNDXQKSE-HYVNUMGLSA-N 2 1 341.927 2.828 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)[C@@H]21 ZINC001418740872 1374444625 /nfs/dbraw/zinc/44/46/25/1374444625.db2.gz BUQMLHGIYMGFQS-DJIMGWMZSA-N 2 1 341.927 2.684 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)[C@@H]21 ZINC001418740872 1374444627 /nfs/dbraw/zinc/44/46/27/1374444627.db2.gz BUQMLHGIYMGFQS-DJIMGWMZSA-N 2 1 341.927 2.684 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)[C@@H]21 ZINC001418740872 1374444631 /nfs/dbraw/zinc/44/46/31/1374444631.db2.gz BUQMLHGIYMGFQS-DJIMGWMZSA-N 2 1 341.927 2.684 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)[C@@H]21 ZINC001418740872 1374444634 /nfs/dbraw/zinc/44/46/34/1374444634.db2.gz BUQMLHGIYMGFQS-DJIMGWMZSA-N 2 1 341.927 2.684 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001419714619 1375759097 /nfs/dbraw/zinc/75/90/97/1375759097.db2.gz BBRWDWDATXICNF-RDJZCZTQSA-N 2 1 341.927 2.973 10 30 EFEEMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001420033086 1376331789 /nfs/dbraw/zinc/33/17/89/1376331789.db2.gz GYVUGSTZEFZKEC-CVEARBPZSA-N 2 1 329.916 2.782 10 30 EFEEMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001420033086 1376331796 /nfs/dbraw/zinc/33/17/96/1376331796.db2.gz GYVUGSTZEFZKEC-CVEARBPZSA-N 2 1 329.916 2.782 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001421003266 1378006042 /nfs/dbraw/zinc/00/60/42/1378006042.db2.gz BQOYWAQNTALTAY-QGZVFWFLSA-N 2 1 341.927 2.640 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001421003261 1378006664 /nfs/dbraw/zinc/00/66/64/1378006664.db2.gz BQOYWAQNTALTAY-KRWDZBQOSA-N 2 1 341.927 2.640 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+](CCC)C1)C(C)C ZINC001422119500 1379639622 /nfs/dbraw/zinc/63/96/22/1379639622.db2.gz KRIMAXREWFJDAB-HOTGVXAUSA-N 2 1 329.916 2.591 10 30 EFEEMP C=C(Cl)C[NH2+]CC1CC(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001422259670 1379875480 /nfs/dbraw/zinc/87/54/80/1379875480.db2.gz OHELDYLZZSGQKB-WLYUNCDWSA-N 2 1 338.883 2.634 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001423486468 1381979019 /nfs/dbraw/zinc/97/90/19/1381979019.db2.gz RFZOAXFUUWILMB-WMLDXEAASA-N 2 1 345.890 2.532 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001438828108 1388844612 /nfs/dbraw/zinc/84/46/12/1388844612.db2.gz LVCCOBGEYAGLBY-YOEHRIQHSA-N 2 1 347.906 2.682 10 30 EFEEMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001426193879 1384061684 /nfs/dbraw/zinc/06/16/84/1384061684.db2.gz QYCFMCUEVXFEDL-HNNXBMFYSA-N 2 1 343.943 2.934 10 30 EFEEMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001426193879 1384061687 /nfs/dbraw/zinc/06/16/87/1384061687.db2.gz QYCFMCUEVXFEDL-HNNXBMFYSA-N 2 1 343.943 2.934 10 30 EFEEMP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C(C)(C)C1 ZINC001506753508 1406258745 /nfs/dbraw/zinc/25/87/45/1406258745.db2.gz PUEQICWSDLLAGM-LJQANCHMSA-N 2 1 343.515 2.911 10 30 EFEEMP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C(C)(C)C1 ZINC001506753508 1406258753 /nfs/dbraw/zinc/25/87/53/1406258753.db2.gz PUEQICWSDLLAGM-LJQANCHMSA-N 2 1 343.515 2.911 10 30 EFEEMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C(C)(C)C1 ZINC001506753508 1406258760 /nfs/dbraw/zinc/25/87/60/1406258760.db2.gz PUEQICWSDLLAGM-LJQANCHMSA-N 2 1 343.515 2.911 10 30 EFEEMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C(C)(C)C1 ZINC001506753508 1406258767 /nfs/dbraw/zinc/25/87/67/1406258767.db2.gz PUEQICWSDLLAGM-LJQANCHMSA-N 2 1 343.515 2.911 10 30 EFEEMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)CN(C)Cc3ccccc3)C2)C1 ZINC001506863868 1406368671 /nfs/dbraw/zinc/36/86/71/1406368671.db2.gz AIDMJAUOZOFQAN-UHFFFAOYSA-N 2 1 341.499 2.619 10 30 EFEEMP C=C(C)C[NH+]1CCCC2(CN(C(=O)C[N@@H+](C)Cc3ccccc3)C2)C1 ZINC001506863868 1406368674 /nfs/dbraw/zinc/36/86/74/1406368674.db2.gz AIDMJAUOZOFQAN-UHFFFAOYSA-N 2 1 341.499 2.619 10 30 EFEEMP C=C(C)C[NH+]1CCCC2(CN(C(=O)C[N@H+](C)Cc3ccccc3)C2)C1 ZINC001506863868 1406368681 /nfs/dbraw/zinc/36/86/81/1406368681.db2.gz AIDMJAUOZOFQAN-UHFFFAOYSA-N 2 1 341.499 2.619 10 30 EFEEMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)C[NH+](C)Cc3ccccc3)C2)C1 ZINC001506863868 1406368689 /nfs/dbraw/zinc/36/86/89/1406368689.db2.gz AIDMJAUOZOFQAN-UHFFFAOYSA-N 2 1 341.499 2.619 10 30 EFEEMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)C[NH+](C)Cc3ccccc3)C2)C1 ZINC001506863868 1406368695 /nfs/dbraw/zinc/36/86/95/1406368695.db2.gz AIDMJAUOZOFQAN-UHFFFAOYSA-N 2 1 341.499 2.619 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001506866328 1406375523 /nfs/dbraw/zinc/37/55/23/1406375523.db2.gz VDXBAJDEEJBZIO-IBGZPJMESA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@]2(C)C1 ZINC001506869318 1406385270 /nfs/dbraw/zinc/38/52/70/1406385270.db2.gz UDFGNBPDVRKFAB-YSIASYRMSA-N 2 1 347.547 2.853 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+](C)C(C)C)C[C@@]2(C)C1 ZINC001506870526 1406389140 /nfs/dbraw/zinc/38/91/40/1406389140.db2.gz QSLKSMIDJKIGOL-RLLQIKCJSA-N 2 1 335.536 2.852 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)C(C)C)C[C@@]2(C)C1 ZINC001506870526 1406389147 /nfs/dbraw/zinc/38/91/47/1406389147.db2.gz QSLKSMIDJKIGOL-RLLQIKCJSA-N 2 1 335.536 2.852 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)C(C)C)C[C@@]2(C)C1 ZINC001506870526 1406389160 /nfs/dbraw/zinc/38/91/60/1406389160.db2.gz QSLKSMIDJKIGOL-RLLQIKCJSA-N 2 1 335.536 2.852 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001440517336 1389719013 /nfs/dbraw/zinc/71/90/13/1389719013.db2.gz HVLKQZLWMHQOLP-KRWDZBQOSA-N 2 1 341.927 2.928 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001440517336 1389719016 /nfs/dbraw/zinc/71/90/16/1389719016.db2.gz HVLKQZLWMHQOLP-KRWDZBQOSA-N 2 1 341.927 2.928 10 30 EFEEMP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001440530270 1389733662 /nfs/dbraw/zinc/73/36/62/1389733662.db2.gz PXIUASYEEGUQPJ-HOTGVXAUSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001506905841 1406423561 /nfs/dbraw/zinc/42/35/61/1406423561.db2.gz CSBYYSKJIAQTHT-DJIMGWMZSA-N 2 1 335.879 2.526 10 30 EFEEMP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001507021946 1406602699 /nfs/dbraw/zinc/60/26/99/1406602699.db2.gz JAHFYTKMNZJYDJ-OALUTQOASA-N 2 1 333.520 2.796 10 30 EFEEMP C=CCC[C@H]1CCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001460888033 1396267567 /nfs/dbraw/zinc/26/75/67/1396267567.db2.gz YFWAHXXOIHUYOH-OALUTQOASA-N 2 1 329.488 2.836 10 30 EFEEMP C[N@@H+]1C[C@]23C[NH+](CCOc4cccc(C#N)c4)C[C@@]2(C1)CCCC3 ZINC001460973925 1396276200 /nfs/dbraw/zinc/27/62/00/1396276200.db2.gz LTTHOFNMUNGBTQ-BGYRXZFFSA-N 2 1 325.456 2.745 10 30 EFEEMP C[N@H+]1C[C@]23C[NH+](CCOc4cccc(C#N)c4)C[C@@]2(C1)CCCC3 ZINC001460973925 1396276207 /nfs/dbraw/zinc/27/62/07/1396276207.db2.gz LTTHOFNMUNGBTQ-BGYRXZFFSA-N 2 1 325.456 2.745 10 30 EFEEMP C[NH+]1C[C@]23C[N@H+](CCOc4cccc(C#N)c4)C[C@@]2(C1)CCCC3 ZINC001460973925 1396276213 /nfs/dbraw/zinc/27/62/13/1396276213.db2.gz LTTHOFNMUNGBTQ-BGYRXZFFSA-N 2 1 325.456 2.745 10 30 EFEEMP C[NH+]1C[C@]23C[N@@H+](CCOc4cccc(C#N)c4)C[C@@]2(C1)CCCC3 ZINC001460973925 1396276216 /nfs/dbraw/zinc/27/62/16/1396276216.db2.gz LTTHOFNMUNGBTQ-BGYRXZFFSA-N 2 1 325.456 2.745 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001479246304 1397637981 /nfs/dbraw/zinc/63/79/81/1397637981.db2.gz MQNWGYVFCMCIFX-VQIMIIECSA-N 2 1 339.499 2.698 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001479246304 1397637988 /nfs/dbraw/zinc/63/79/88/1397637988.db2.gz MQNWGYVFCMCIFX-VQIMIIECSA-N 2 1 339.499 2.698 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001479246304 1397637991 /nfs/dbraw/zinc/63/79/91/1397637991.db2.gz MQNWGYVFCMCIFX-VQIMIIECSA-N 2 1 339.499 2.698 10 30 EFEEMP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001479301233 1397672712 /nfs/dbraw/zinc/67/27/12/1397672712.db2.gz YSYDBPDTRAJUGM-ZIFCJYIRSA-N 2 1 333.520 2.844 10 30 EFEEMP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001479425703 1397722637 /nfs/dbraw/zinc/72/26/37/1397722637.db2.gz SNHKMJVRYHKDNL-XUVXKRRUSA-N 2 1 343.515 2.733 10 30 EFEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)CC(C)(C)C1 ZINC001479745609 1397802167 /nfs/dbraw/zinc/80/21/67/1397802167.db2.gz NQCLTFBFXLSZIS-ZWKOTPCHSA-N 2 1 335.536 2.737 10 30 EFEEMP CC#CC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC(C)(C)C1 ZINC001479746849 1397805902 /nfs/dbraw/zinc/80/59/02/1397805902.db2.gz WFTHVWUKZMKVTJ-GOSISDBHSA-N 2 1 344.503 2.602 10 30 EFEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC(C)(C)C1 ZINC001479746849 1397805907 /nfs/dbraw/zinc/80/59/07/1397805907.db2.gz WFTHVWUKZMKVTJ-GOSISDBHSA-N 2 1 344.503 2.602 10 30 EFEEMP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001479981244 1398067508 /nfs/dbraw/zinc/06/75/08/1398067508.db2.gz NLFMDAZHAFPJCF-RCCFBDPRSA-N 2 1 333.520 2.654 10 30 EFEEMP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001479987536 1398072190 /nfs/dbraw/zinc/07/21/90/1398072190.db2.gz BQWZEQNZRHUGSU-QGZVFWFLSA-N 2 1 344.503 2.943 10 30 EFEEMP C=CCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001479988385 1398073001 /nfs/dbraw/zinc/07/30/01/1398073001.db2.gz PAILSVHKTPWWNF-ROUUACIJSA-N 2 1 333.520 2.655 10 30 EFEEMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001479989083 1398073847 /nfs/dbraw/zinc/07/38/47/1398073847.db2.gz XNGIHYXRGQBANA-RTBURBONSA-N 2 1 341.499 2.836 10 30 EFEEMP C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001480189837 1398159043 /nfs/dbraw/zinc/15/90/43/1398159043.db2.gz SVHDHTQCQXBEPF-PMACEKPBSA-N 2 1 345.531 2.589 10 30 EFEEMP C=CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]21 ZINC001507354551 1406940322 /nfs/dbraw/zinc/94/03/22/1406940322.db2.gz CCGXYICBQCEXQA-NZSAHSFTSA-N 2 1 333.520 2.654 10 30 EFEEMP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001493150212 1398480945 /nfs/dbraw/zinc/48/09/45/1398480945.db2.gz TZZSWSNRTUYJKF-OALUTQOASA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001493150212 1398480948 /nfs/dbraw/zinc/48/09/48/1398480948.db2.gz TZZSWSNRTUYJKF-OALUTQOASA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001493150212 1398480952 /nfs/dbraw/zinc/48/09/52/1398480952.db2.gz TZZSWSNRTUYJKF-OALUTQOASA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001493150212 1398480955 /nfs/dbraw/zinc/48/09/55/1398480955.db2.gz TZZSWSNRTUYJKF-OALUTQOASA-N 2 1 329.488 2.836 10 30 EFEEMP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccc(C(C)C)cc1 ZINC001493877442 1398944564 /nfs/dbraw/zinc/94/45/64/1398944564.db2.gz AEORUQNBACVWDT-PMACEKPBSA-N 2 1 341.499 2.532 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001494042652 1399084027 /nfs/dbraw/zinc/08/40/27/1399084027.db2.gz MDQBYVKBPZTWFP-MSOLQXFVSA-N 2 1 344.503 2.548 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001494042652 1399084033 /nfs/dbraw/zinc/08/40/33/1399084033.db2.gz MDQBYVKBPZTWFP-MSOLQXFVSA-N 2 1 344.503 2.548 10 30 EFEEMP C=CCC[N@H+]1CC[C@@H](CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001494083350 1399121670 /nfs/dbraw/zinc/12/16/70/1399121670.db2.gz PDRDRHLCGKOGPM-MJGOQNOKSA-N 2 1 329.488 2.694 10 30 EFEEMP C=CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001494083350 1399121675 /nfs/dbraw/zinc/12/16/75/1399121675.db2.gz PDRDRHLCGKOGPM-MJGOQNOKSA-N 2 1 329.488 2.694 10 30 EFEEMP C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001494161181 1399175988 /nfs/dbraw/zinc/17/59/88/1399175988.db2.gz BSNXXXIDWHNYAK-RTBURBONSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001494161179 1399176425 /nfs/dbraw/zinc/17/64/25/1399176425.db2.gz BSNXXXIDWHNYAK-RBUKOAKNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001494205197 1399211554 /nfs/dbraw/zinc/21/15/54/1399211554.db2.gz BAXQNHFCKWDAKX-SFHVURJKSA-N 2 1 344.503 2.500 10 30 EFEEMP C=CCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001494205197 1399211557 /nfs/dbraw/zinc/21/15/57/1399211557.db2.gz BAXQNHFCKWDAKX-SFHVURJKSA-N 2 1 344.503 2.500 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001494319774 1399278964 /nfs/dbraw/zinc/27/89/64/1399278964.db2.gz TXQSFLODMQGGEO-HKUYNNGSSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001494319774 1399278967 /nfs/dbraw/zinc/27/89/67/1399278967.db2.gz TXQSFLODMQGGEO-HKUYNNGSSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001494319774 1399278973 /nfs/dbraw/zinc/27/89/73/1399278973.db2.gz TXQSFLODMQGGEO-HKUYNNGSSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001494775847 1399463461 /nfs/dbraw/zinc/46/34/61/1399463461.db2.gz XMGKAYBSSJCEPT-YLJYHZDGSA-N 2 1 343.515 2.950 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001494915932 1399553915 /nfs/dbraw/zinc/55/39/15/1399553915.db2.gz BIGVWIWIHTWAAJ-GOSISDBHSA-N 2 1 332.492 2.861 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001494915932 1399553918 /nfs/dbraw/zinc/55/39/18/1399553918.db2.gz BIGVWIWIHTWAAJ-GOSISDBHSA-N 2 1 332.492 2.861 10 30 EFEEMP C=CCCC[NH2+]C[C@@]1(NC(=O)Cn2c[nH+]cc2C)CCCC[C@H]1C ZINC001495320962 1399840418 /nfs/dbraw/zinc/84/04/18/1399840418.db2.gz MSSDXUKIPWRBNR-APWZRJJASA-N 2 1 332.492 2.812 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CC/C=C\CC)C1 ZINC001495364405 1399909090 /nfs/dbraw/zinc/90/90/90/1399909090.db2.gz WBEXVKFUDHQVQM-XHHZUUQWSA-N 2 1 345.531 2.659 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CC/C=C\CC)C1 ZINC001495364405 1399909093 /nfs/dbraw/zinc/90/90/93/1399909093.db2.gz WBEXVKFUDHQVQM-XHHZUUQWSA-N 2 1 345.531 2.659 10 30 EFEEMP C=CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001495417436 1399962983 /nfs/dbraw/zinc/96/29/83/1399962983.db2.gz BDCMIXAKJCCGHC-MOPGFXCFSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001495417438 1399963089 /nfs/dbraw/zinc/96/30/89/1399963089.db2.gz BDCMIXAKJCCGHC-OALUTQOASA-N 2 1 333.520 2.798 10 30 EFEEMP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001495464092 1400002207 /nfs/dbraw/zinc/00/22/07/1400002207.db2.gz DWWWXAOKJGZNEF-BJLQDIEVSA-N 2 1 345.531 2.824 10 30 EFEEMP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2CC)cc1 ZINC001495509434 1400042028 /nfs/dbraw/zinc/04/20/28/1400042028.db2.gz QAEMWJCQXKHWQQ-LJQANCHMSA-N 2 1 329.488 2.843 10 30 EFEEMP C=CCCC[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001495521876 1400053147 /nfs/dbraw/zinc/05/31/47/1400053147.db2.gz ZTZCUYSZLYMMTP-IAGOWNOFSA-N 2 1 330.476 2.698 10 30 EFEEMP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001495560001 1400082685 /nfs/dbraw/zinc/08/26/85/1400082685.db2.gz MMWLAJBMJFFWAL-IEBWSBKVSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCCC[NH2+]C[C@H](C)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001495742930 1400217860 /nfs/dbraw/zinc/21/78/60/1400217860.db2.gz LDJNZCXWGQMJOG-YJBOKZPZSA-N 2 1 327.488 2.507 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001496064993 1400451201 /nfs/dbraw/zinc/45/12/01/1400451201.db2.gz YDDMFVORHOUQGS-KBPBESRZSA-N 2 1 326.872 2.586 10 30 EFEEMP C=CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001496288254 1400603603 /nfs/dbraw/zinc/60/36/03/1400603603.db2.gz LQQWSDKAWWSXNL-QFBILLFUSA-N 2 1 341.515 2.896 10 30 EFEEMP C=CCCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001496355708 1400666641 /nfs/dbraw/zinc/66/66/41/1400666641.db2.gz HRUOMICGUUDSOC-DLBZAZTESA-N 2 1 332.492 2.799 10 30 EFEEMP C=CCC[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001496504893 1400780794 /nfs/dbraw/zinc/78/07/94/1400780794.db2.gz LYOJHAVEBYEIET-LJQANCHMSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001496504893 1400780798 /nfs/dbraw/zinc/78/07/98/1400780798.db2.gz LYOJHAVEBYEIET-LJQANCHMSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001496504893 1400780802 /nfs/dbraw/zinc/78/08/02/1400780802.db2.gz LYOJHAVEBYEIET-LJQANCHMSA-N 2 1 335.536 2.997 10 30 EFEEMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]21 ZINC001496866801 1401062409 /nfs/dbraw/zinc/06/24/09/1401062409.db2.gz JAOXCWCQILQADB-MOPGFXCFSA-N 2 1 347.547 2.975 10 30 EFEEMP C=C(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001496924758 1401104989 /nfs/dbraw/zinc/10/49/89/1401104989.db2.gz RHYNPGRRPZVCDS-OALUTQOASA-N 2 1 329.488 2.569 10 30 EFEEMP C=C(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001496924758 1401104994 /nfs/dbraw/zinc/10/49/94/1401104994.db2.gz RHYNPGRRPZVCDS-OALUTQOASA-N 2 1 329.488 2.569 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001496924755 1401105229 /nfs/dbraw/zinc/10/52/29/1401105229.db2.gz RHYNPGRRPZVCDS-MOPGFXCFSA-N 2 1 329.488 2.569 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001496924755 1401105231 /nfs/dbraw/zinc/10/52/31/1401105231.db2.gz RHYNPGRRPZVCDS-MOPGFXCFSA-N 2 1 329.488 2.569 10 30 EFEEMP C#CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001498489954 1402142221 /nfs/dbraw/zinc/14/22/21/1402142221.db2.gz LRMCTGUOROZOGP-AZUAARDMSA-N 2 1 347.547 2.929 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@@H](CC)c1ccccc1 ZINC001498559480 1402175434 /nfs/dbraw/zinc/17/54/34/1402175434.db2.gz FNSKKJYXFCMMNG-PMACEKPBSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@@H](CC)c1ccccc1 ZINC001498559480 1402175437 /nfs/dbraw/zinc/17/54/37/1402175437.db2.gz FNSKKJYXFCMMNG-PMACEKPBSA-N 2 1 341.499 2.673 10 30 EFEEMP C=C(C)C[NH2+]C[C@@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)C(C)(C)C ZINC001508026318 1407247090 /nfs/dbraw/zinc/24/70/90/1407247090.db2.gz WEOWGKNWHGZFJY-QGZVFWFLSA-N 2 1 348.491 2.581 10 30 EFEEMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001508058525 1407270245 /nfs/dbraw/zinc/27/02/45/1407270245.db2.gz FOKWPGUPXHHYSE-DLBZAZTESA-N 2 1 344.503 2.637 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2cncc2C)C1 ZINC001499480576 1402634570 /nfs/dbraw/zinc/63/45/70/1402634570.db2.gz IISUEPILAWTUBH-OALUTQOASA-N 2 1 344.503 2.861 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001499480576 1402634576 /nfs/dbraw/zinc/63/45/76/1402634576.db2.gz IISUEPILAWTUBH-OALUTQOASA-N 2 1 344.503 2.861 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001499480576 1402634580 /nfs/dbraw/zinc/63/45/80/1402634580.db2.gz IISUEPILAWTUBH-OALUTQOASA-N 2 1 344.503 2.861 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2cncn2C)C1 ZINC001499480694 1402634867 /nfs/dbraw/zinc/63/48/67/1402634867.db2.gz INGBBUBRRWUXFE-MJGOQNOKSA-N 2 1 344.503 2.632 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2cncc2C)C1 ZINC001499480578 1402634921 /nfs/dbraw/zinc/63/49/21/1402634921.db2.gz IISUEPILAWTUBH-RBUKOAKNSA-N 2 1 344.503 2.861 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001499480578 1402634924 /nfs/dbraw/zinc/63/49/24/1402634924.db2.gz IISUEPILAWTUBH-RBUKOAKNSA-N 2 1 344.503 2.861 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001499480578 1402634928 /nfs/dbraw/zinc/63/49/28/1402634928.db2.gz IISUEPILAWTUBH-RBUKOAKNSA-N 2 1 344.503 2.861 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2cncc2C)C1 ZINC001499480579 1402635243 /nfs/dbraw/zinc/63/52/43/1402635243.db2.gz IISUEPILAWTUBH-RTBURBONSA-N 2 1 344.503 2.861 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001499480579 1402635245 /nfs/dbraw/zinc/63/52/45/1402635245.db2.gz IISUEPILAWTUBH-RTBURBONSA-N 2 1 344.503 2.861 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001499480579 1402635248 /nfs/dbraw/zinc/63/52/48/1402635248.db2.gz IISUEPILAWTUBH-RTBURBONSA-N 2 1 344.503 2.861 10 30 EFEEMP C=CCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001499507075 1402647936 /nfs/dbraw/zinc/64/79/36/1402647936.db2.gz ZPBJNLFFSDEMFT-QYZOEREBSA-N 2 1 333.520 2.891 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001499507075 1402647938 /nfs/dbraw/zinc/64/79/38/1402647938.db2.gz ZPBJNLFFSDEMFT-QYZOEREBSA-N 2 1 333.520 2.891 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001499507075 1402647943 /nfs/dbraw/zinc/64/79/43/1402647943.db2.gz ZPBJNLFFSDEMFT-QYZOEREBSA-N 2 1 333.520 2.891 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CC(C)(C)C ZINC001499511504 1402651051 /nfs/dbraw/zinc/65/10/51/1402651051.db2.gz IHDODKAEEUMHPQ-MSOLQXFVSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CC(C)(C)C ZINC001499511504 1402651055 /nfs/dbraw/zinc/65/10/55/1402651055.db2.gz IHDODKAEEUMHPQ-MSOLQXFVSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCC2(CCN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001499585623 1402701583 /nfs/dbraw/zinc/70/15/83/1402701583.db2.gz XSBQNEKQHAYPGK-SFHVURJKSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001499620205 1402724509 /nfs/dbraw/zinc/72/45/09/1402724509.db2.gz SZNIRRATNYBLAA-FPOVZHCZSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001499747282 1402767931 /nfs/dbraw/zinc/76/79/31/1402767931.db2.gz MAYCSLOUDCRAAS-BEFAXECRSA-N 2 1 339.499 2.696 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC/C=C\CC)CC1 ZINC001508075394 1407283226 /nfs/dbraw/zinc/28/32/26/1407283226.db2.gz WVLBBSMMSOVTKM-AQIYZVDXSA-N 2 1 345.531 2.657 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC/C=C\CC)CC1 ZINC001508075394 1407283235 /nfs/dbraw/zinc/28/32/35/1407283235.db2.gz WVLBBSMMSOVTKM-AQIYZVDXSA-N 2 1 345.531 2.657 10 30 EFEEMP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001499901545 1402845333 /nfs/dbraw/zinc/84/53/33/1402845333.db2.gz UMDXRQAZCBSIMF-OALUTQOASA-N 2 1 333.520 2.940 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001499955572 1402869276 /nfs/dbraw/zinc/86/92/76/1402869276.db2.gz UKFNZUIYGHLKCO-DLBZAZTESA-N 2 1 335.879 2.622 10 30 EFEEMP C#CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001500037231 1402908258 /nfs/dbraw/zinc/90/82/58/1402908258.db2.gz CJABPPIILKRRGN-QUCCMNQESA-N 2 1 347.547 2.832 10 30 EFEEMP C#CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1CC[NH+](CCC2CC2)CC1 ZINC001500047241 1402912354 /nfs/dbraw/zinc/91/23/54/1402912354.db2.gz LTYGQZPOPKHPMJ-UHFFFAOYSA-N 2 1 347.547 2.691 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCC1 ZINC001500106495 1402939738 /nfs/dbraw/zinc/93/97/38/1402939738.db2.gz GMKGENVNNIHYOD-XIRDDKMYSA-N 2 1 341.927 2.734 10 30 EFEEMP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001500371852 1403080456 /nfs/dbraw/zinc/08/04/56/1403080456.db2.gz CDRIXXWJZXZYML-QUCCMNQESA-N 2 1 335.536 2.903 10 30 EFEEMP C#CCC[NH+]1CCC(C)(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001500426886 1403115053 /nfs/dbraw/zinc/11/50/53/1403115053.db2.gz AICYFXURLYIXRD-KRWDZBQOSA-N 2 1 344.503 2.638 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NC[C@]2(C)CCC[N@H+](CCCCC)C2)CC1 ZINC001500552787 1403217397 /nfs/dbraw/zinc/21/73/97/1403217397.db2.gz LTRIZXNKHGZOLP-NRFANRHFSA-N 2 1 347.547 2.740 10 30 EFEEMP C=C(C)C[NH+]1CCC(C2(NC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC001508161657 1407323037 /nfs/dbraw/zinc/32/30/37/1407323037.db2.gz DWOLQTDBPYONKT-CALCHBBNSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CC[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccccc1CC ZINC001501022835 1403410638 /nfs/dbraw/zinc/41/06/38/1403410638.db2.gz RZHASEJRVBWKBI-VQIMIIECSA-N 2 1 329.488 2.524 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001501129387 1403451164 /nfs/dbraw/zinc/45/11/64/1403451164.db2.gz GMGIOIPPBIHKAH-ROUUACIJSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001501586885 1403637116 /nfs/dbraw/zinc/63/71/16/1403637116.db2.gz NKXHTKGLHFATQE-RTBURBONSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)C[NH+](C)Cc1ccccc1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001501668724 1403690214 /nfs/dbraw/zinc/69/02/14/1403690214.db2.gz LDBPIZTWXLXBTQ-KRWDZBQOSA-N 2 1 329.488 2.653 10 30 EFEEMP C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001501668724 1403690236 /nfs/dbraw/zinc/69/02/36/1403690236.db2.gz LDBPIZTWXLXBTQ-KRWDZBQOSA-N 2 1 329.488 2.653 10 30 EFEEMP C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001501668724 1403690249 /nfs/dbraw/zinc/69/02/49/1403690249.db2.gz LDBPIZTWXLXBTQ-KRWDZBQOSA-N 2 1 329.488 2.653 10 30 EFEEMP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)C[N@@H+](C)CC(C)(C)C)cc1 ZINC001501678913 1403710453 /nfs/dbraw/zinc/71/04/53/1403710453.db2.gz IECYCZJGFOBDEP-INIZCTEOSA-N 2 1 329.488 2.565 10 30 EFEEMP C=C(C)C[NH+]1CC=C(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001508216290 1407354441 /nfs/dbraw/zinc/35/44/41/1407354441.db2.gz SXQNBICRMJQOPS-UHFFFAOYSA-N 2 1 333.520 2.964 10 30 EFEEMP C=C(C)C[N@H+]1CC=C(CNC(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001508216290 1407354445 /nfs/dbraw/zinc/35/44/45/1407354445.db2.gz SXQNBICRMJQOPS-UHFFFAOYSA-N 2 1 333.520 2.964 10 30 EFEEMP C=C(C)C[N@@H+]1CC=C(CNC(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001508216290 1407354450 /nfs/dbraw/zinc/35/44/50/1407354450.db2.gz SXQNBICRMJQOPS-UHFFFAOYSA-N 2 1 333.520 2.964 10 30 EFEEMP C=CCC[NH+]1CC=C(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001508220206 1407357714 /nfs/dbraw/zinc/35/77/14/1407357714.db2.gz RNOSAMJCCLDXPK-LJQANCHMSA-N 2 1 337.483 2.523 10 30 EFEEMP C=CCC[N@H+]1CC=C(CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001508220206 1407357719 /nfs/dbraw/zinc/35/77/19/1407357719.db2.gz RNOSAMJCCLDXPK-LJQANCHMSA-N 2 1 337.483 2.523 10 30 EFEEMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001508220206 1407357725 /nfs/dbraw/zinc/35/77/25/1407357725.db2.gz RNOSAMJCCLDXPK-LJQANCHMSA-N 2 1 337.483 2.523 10 30 EFEEMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCC1 ZINC001501961649 1403907689 /nfs/dbraw/zinc/90/76/89/1403907689.db2.gz FMMDCALVMPZIDT-GOSISDBHSA-N 2 1 333.520 2.988 10 30 EFEEMP C=C(C)CC[NH2+]C1(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CCC1 ZINC001502000017 1403939676 /nfs/dbraw/zinc/93/96/76/1403939676.db2.gz QOISJLFYNVKJPE-IBGZPJMESA-N 2 1 339.499 2.794 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001502124453 1404016907 /nfs/dbraw/zinc/01/69/07/1404016907.db2.gz RRHQZEWBGUBRDF-IRXDYDNUSA-N 2 1 327.488 2.603 10 30 EFEEMP CC#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCC)CC1 ZINC001502404412 1404143515 /nfs/dbraw/zinc/14/35/15/1404143515.db2.gz GYCICNVSSXETPR-BGYRXZFFSA-N 2 1 345.531 2.730 10 30 EFEEMP CC#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCC)CC1 ZINC001502404412 1404143521 /nfs/dbraw/zinc/14/35/21/1404143521.db2.gz GYCICNVSSXETPR-BGYRXZFFSA-N 2 1 345.531 2.730 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001502406013 1404147673 /nfs/dbraw/zinc/14/76/73/1404147673.db2.gz GURYGIJIFUHFQG-MOPGFXCFSA-N 2 1 347.547 2.997 10 30 EFEEMP 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ZINC001505442918 1404626357 /nfs/dbraw/zinc/62/63/57/1404626357.db2.gz ARFTVMNBINXFJL-SJORKVTESA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001505442918 1404626368 /nfs/dbraw/zinc/62/63/68/1404626368.db2.gz ARFTVMNBINXFJL-SJORKVTESA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001505442918 1404626387 /nfs/dbraw/zinc/62/63/87/1404626387.db2.gz ARFTVMNBINXFJL-SJORKVTESA-N 2 1 341.927 2.784 10 30 EFEEMP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001505466229 1404693786 /nfs/dbraw/zinc/69/37/86/1404693786.db2.gz VBKHKKZNVLNXCS-QGZVFWFLSA-N 2 1 345.487 2.681 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001505472612 1404707597 /nfs/dbraw/zinc/70/75/97/1404707597.db2.gz IYPINNRDZRTAAK-RTBURBONSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001505472612 1404707601 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ZINC001689936085 1417099777 /nfs/dbraw/zinc/09/97/77/1417099777.db2.gz CVVMLALRVFXEGJ-KRWDZBQOSA-N 2 1 341.927 2.974 10 30 EFEEMP C=C(Cl)C[NH+](CC)CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001689936085 1417099780 /nfs/dbraw/zinc/09/97/80/1417099780.db2.gz CVVMLALRVFXEGJ-KRWDZBQOSA-N 2 1 341.927 2.974 10 30 EFEEMP C=C(Cl)C[NH+](CC)CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001689936085 1417099782 /nfs/dbraw/zinc/09/97/82/1417099782.db2.gz CVVMLALRVFXEGJ-KRWDZBQOSA-N 2 1 341.927 2.974 10 30 EFEEMP C=C(C)CC[N@@H+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001690009427 1417129715 /nfs/dbraw/zinc/12/97/15/1417129715.db2.gz VXQDMCYEWXBZMA-OALUTQOASA-N 2 1 333.520 2.940 10 30 EFEEMP C=C(C)CC[NH+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)C1CC1 ZINC001690009427 1417129716 /nfs/dbraw/zinc/12/97/16/1417129716.db2.gz VXQDMCYEWXBZMA-OALUTQOASA-N 2 1 333.520 2.940 10 30 EFEEMP C=C(C)CC[NH+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)C1CC1 ZINC001690009427 1417129718 /nfs/dbraw/zinc/12/97/18/1417129718.db2.gz VXQDMCYEWXBZMA-OALUTQOASA-N 2 1 333.520 2.940 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]([C@H](C)CCC=C)C2)CC1 ZINC001690393873 1417208649 /nfs/dbraw/zinc/20/86/49/1417208649.db2.gz NVEVNRNRYPHCGQ-MOPGFXCFSA-N 2 1 345.531 2.515 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]([C@@H](C)CCC=C)C2)CC1 ZINC001690393874 1417209442 /nfs/dbraw/zinc/20/94/42/1417209442.db2.gz NVEVNRNRYPHCGQ-OALUTQOASA-N 2 1 345.531 2.515 10 30 EFEEMP C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001690409981 1417211334 /nfs/dbraw/zinc/21/13/34/1417211334.db2.gz XOSBFILGWGVRJK-IEBWSBKVSA-N 2 1 333.520 2.798 10 30 EFEEMP CCC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001690640695 1417223348 /nfs/dbraw/zinc/22/33/48/1417223348.db2.gz YSIKIAIAXOYABP-INIZCTEOSA-N 2 1 349.906 2.518 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)CC(C)(C)C1 ZINC001692275383 1417273361 /nfs/dbraw/zinc/27/33/61/1417273361.db2.gz GDEZILKCVBTCIN-SJORKVTESA-N 2 1 341.515 2.849 10 30 EFEEMP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001692329817 1417278108 /nfs/dbraw/zinc/27/81/08/1417278108.db2.gz NVSHXSBVFCPTQB-MOPGFXCFSA-N 2 1 333.520 2.633 10 30 EFEEMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)cc1 ZINC001698717780 1417319601 /nfs/dbraw/zinc/31/96/01/1417319601.db2.gz KCDLSPOGHHIHPM-OALUTQOASA-N 2 1 327.472 2.595 10 30 EFEEMP C#CC[N@@H+](CCNC(=O)CCCn1cc[nH+]c1C)C1CCCCCC1 ZINC001699683606 1417450892 /nfs/dbraw/zinc/45/08/92/1417450892.db2.gz OFIKCDZGEYBGKM-UHFFFAOYSA-N 2 1 344.503 2.746 10 30 EFEEMP C#CC[N@H+](CCNC(=O)CCCn1cc[nH+]c1C)C1CCCCCC1 ZINC001699683606 1417450897 /nfs/dbraw/zinc/45/08/97/1417450897.db2.gz OFIKCDZGEYBGKM-UHFFFAOYSA-N 2 1 344.503 2.746 10 30 EFEEMP CC#CC[N@@H+](CC1CC1)C1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001699688681 1417453086 /nfs/dbraw/zinc/45/30/86/1417453086.db2.gz IAQZFYUDMWWXPY-ROUUACIJSA-N 2 1 345.531 2.586 10 30 EFEEMP C#CCN(C(=O)C[N@@H+](C)C1CCC1)C1CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001699781906 1417467765 /nfs/dbraw/zinc/46/77/65/1417467765.db2.gz MOCVIDODYNRLNV-SFHVURJKSA-N 2 1 345.531 2.752 10 30 EFEEMP C#CCN(C(=O)C[N@@H+](C)C1CCC1)C1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001699781901 1417468133 /nfs/dbraw/zinc/46/81/33/1417468133.db2.gz MOCVIDODYNRLNV-GOSISDBHSA-N 2 1 345.531 2.752 10 30 EFEEMP C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001699875897 1417492388 /nfs/dbraw/zinc/49/23/88/1417492388.db2.gz WZOGDWARUSIZLX-ICSRJNTNSA-N 2 1 333.520 2.513 10 30 EFEEMP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001699948287 1417518776 /nfs/dbraw/zinc/51/87/76/1417518776.db2.gz NBGVPBDGIAGHOY-SJLPKXTDSA-N 2 1 332.492 2.765 10 30 EFEEMP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001699948286 1417518998 /nfs/dbraw/zinc/51/89/98/1417518998.db2.gz NBGVPBDGIAGHOY-FUHWJXTLSA-N 2 1 332.492 2.765 10 30 EFEEMP C=CCC[N@@H+](C)Cc1ccccc1CNC(=O)Cn1cc[nH+]c1C ZINC001700091337 1417563685 /nfs/dbraw/zinc/56/36/85/1417563685.db2.gz MZJGHPWPZCPWGB-UHFFFAOYSA-N 2 1 326.444 2.516 10 30 EFEEMP C=CCC[N@H+](C)Cc1ccccc1CNC(=O)Cn1cc[nH+]c1C ZINC001700091337 1417563689 /nfs/dbraw/zinc/56/36/89/1417563689.db2.gz MZJGHPWPZCPWGB-UHFFFAOYSA-N 2 1 326.444 2.516 10 30 EFEEMP CC#CC[N@@H+]1CC[C@]2(NC(=O)C[C@@H](C)n3cc[nH+]c3CC)CCC[C@@H]12 ZINC001700864194 1417666862 /nfs/dbraw/zinc/66/68/62/1417666862.db2.gz DOZXXEAXEQRIER-MBOZVWFJSA-N 2 1 342.487 2.533 10 30 EFEEMP CC#CC[N@H+]1CC[C@]2(NC(=O)C[C@@H](C)n3cc[nH+]c3CC)CCC[C@@H]12 ZINC001700864194 1417666865 /nfs/dbraw/zinc/66/68/65/1417666865.db2.gz DOZXXEAXEQRIER-MBOZVWFJSA-N 2 1 342.487 2.533 10 30 EFEEMP C=C(C)CC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)[C@H]21 ZINC001707189562 1418228186 /nfs/dbraw/zinc/22/81/86/1418228186.db2.gz ULFHWNTVFQTSSW-QRQLOZEOSA-N 2 1 335.536 2.898 10 30 EFEEMP C=C(C)CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)[C@H]21 ZINC001707189562 1418228190 /nfs/dbraw/zinc/22/81/90/1418228190.db2.gz ULFHWNTVFQTSSW-QRQLOZEOSA-N 2 1 335.536 2.898 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)[C@H]21 ZINC001707189562 1418228195 /nfs/dbraw/zinc/22/81/95/1418228195.db2.gz ULFHWNTVFQTSSW-QRQLOZEOSA-N 2 1 335.536 2.898 10 30 EFEEMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001713144594 1418336084 /nfs/dbraw/zinc/33/60/84/1418336084.db2.gz UZEGCQDHYWPVDL-CADBVGFASA-N 2 1 333.520 2.748 10 30 EFEEMP C=CCC[NH+]1CCC[C@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001713223826 1418396979 /nfs/dbraw/zinc/39/69/79/1418396979.db2.gz IBFHRKLZLJJRPM-LJQANCHMSA-N 2 1 329.488 2.523 10 30 EFEEMP C=CCC[NH+]1CCC[C@H](CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001713223826 1418396984 /nfs/dbraw/zinc/39/69/84/1418396984.db2.gz IBFHRKLZLJJRPM-LJQANCHMSA-N 2 1 329.488 2.523 10 30 EFEEMP C=CCC[N@H+]1CCC[C@H](CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001713223826 1418396988 /nfs/dbraw/zinc/39/69/88/1418396988.db2.gz IBFHRKLZLJJRPM-LJQANCHMSA-N 2 1 329.488 2.523 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001713223826 1418396994 /nfs/dbraw/zinc/39/69/94/1418396994.db2.gz IBFHRKLZLJJRPM-LJQANCHMSA-N 2 1 329.488 2.523 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@H+](C)CCCCCC ZINC001713271295 1418438502 /nfs/dbraw/zinc/43/85/02/1418438502.db2.gz IEKVVEBKZWPXGR-VQTJNVASSA-N 2 1 347.547 2.977 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)CCCCCC ZINC001713271295 1418438505 /nfs/dbraw/zinc/43/85/05/1418438505.db2.gz IEKVVEBKZWPXGR-VQTJNVASSA-N 2 1 347.547 2.977 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)CCCCCC ZINC001713271295 1418438507 /nfs/dbraw/zinc/43/85/07/1418438507.db2.gz IEKVVEBKZWPXGR-VQTJNVASSA-N 2 1 347.547 2.977 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001713278473 1418448236 /nfs/dbraw/zinc/44/82/36/1418448236.db2.gz SHNVBPSLLVMQAF-RTBURBONSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001713282951 1418452384 /nfs/dbraw/zinc/45/23/84/1418452384.db2.gz QFJYWFQWVSIWCF-ZWJWXYIHSA-N 2 1 333.520 2.652 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001713283892 1418452926 /nfs/dbraw/zinc/45/29/26/1418452926.db2.gz VZBAHYSWHHWCNX-OMZCGLGVSA-N 2 1 347.547 2.898 10 30 EFEEMP C=C(Cl)C[NH2+]CCc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001713385271 1418499441 /nfs/dbraw/zinc/49/94/41/1418499441.db2.gz WDULSXVHNRUAMW-CRAIPNDOSA-N 2 1 349.906 2.528 10 30 EFEEMP C=C(C)CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001713430139 1418524585 /nfs/dbraw/zinc/52/45/85/1418524585.db2.gz BDWKMDKHIJCRSD-RBUKOAKNSA-N 2 1 333.520 2.655 10 30 EFEEMP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001715858807 1418690257 /nfs/dbraw/zinc/69/02/57/1418690257.db2.gz DAEKSBZYXMRPDG-FUTAKVPZSA-N 2 1 339.911 2.798 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccccc1Cl ZINC001716440638 1418883940 /nfs/dbraw/zinc/88/39/40/1418883940.db2.gz LCLRDWAUEVDWFN-MPGHIAIKSA-N 2 1 347.890 2.593 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccccc1Cl ZINC001716440638 1418883945 /nfs/dbraw/zinc/88/39/45/1418883945.db2.gz LCLRDWAUEVDWFN-MPGHIAIKSA-N 2 1 347.890 2.593 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@H](C2CCN(C(=O)CC[N@H+](C)CC)CC2)C1 ZINC001716704594 1418963470 /nfs/dbraw/zinc/96/34/70/1418963470.db2.gz XMFPMFBXTAUGEM-IBGZPJMESA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001716704594 1418963474 /nfs/dbraw/zinc/96/34/74/1418963474.db2.gz XMFPMFBXTAUGEM-IBGZPJMESA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001716704594 1418963479 /nfs/dbraw/zinc/96/34/79/1418963479.db2.gz XMFPMFBXTAUGEM-IBGZPJMESA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001716725002 1418975681 /nfs/dbraw/zinc/97/56/81/1418975681.db2.gz QLLVBYTWMYRMJB-LJQANCHMSA-N 2 1 333.520 2.609 10 30 EFEEMP C=CCCCCC[NH+]1CC[C@@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001716734928 1418984183 /nfs/dbraw/zinc/98/41/83/1418984183.db2.gz GDSLPSROUXIULK-TZIWHRDSSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001716734928 1418984185 /nfs/dbraw/zinc/98/41/85/1418984185.db2.gz GDSLPSROUXIULK-TZIWHRDSSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001716734928 1418984187 /nfs/dbraw/zinc/98/41/87/1418984187.db2.gz GDSLPSROUXIULK-TZIWHRDSSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001716784323 1419007068 /nfs/dbraw/zinc/00/70/68/1419007068.db2.gz QZOPMRJIVQIKRH-LPHOPBHVSA-N 2 1 339.499 2.746 10 30 EFEEMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](CC/C=C/CC)CC1 ZINC001716806022 1419020253 /nfs/dbraw/zinc/02/02/53/1419020253.db2.gz JXYKZDGDQIHRCO-PORCLINASA-N 2 1 345.531 2.609 10 30 EFEEMP C#CCN(C(=O)CC[N@H+](C)CC)C1CC[NH+](CC2CCCCC2)CC1 ZINC001716811035 1419024485 /nfs/dbraw/zinc/02/44/85/1419024485.db2.gz LHIFMOCMJQCBLF-UHFFFAOYSA-N 2 1 347.547 2.835 10 30 EFEEMP CC#CC[NH2+]C[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C1CCCC1 ZINC001716824911 1419033559 /nfs/dbraw/zinc/03/35/59/1419033559.db2.gz MZGOMCHFRHJYMK-UXHICEINSA-N 2 1 341.499 2.577 10 30 EFEEMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001716895739 1419083259 /nfs/dbraw/zinc/08/32/59/1419083259.db2.gz MEHYIWGQNZFYNZ-IBGZPJMESA-N 2 1 347.528 2.665 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@@H+](CCCC(C)C)C1 ZINC001716897053 1419084322 /nfs/dbraw/zinc/08/43/22/1419084322.db2.gz ZBGMWHJXMHWGIM-FPOVZHCZSA-N 2 1 347.547 2.739 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@H+](CCCC(C)C)C1 ZINC001716897053 1419084324 /nfs/dbraw/zinc/08/43/24/1419084324.db2.gz ZBGMWHJXMHWGIM-FPOVZHCZSA-N 2 1 347.547 2.739 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](CCCC(C)C)C1 ZINC001716897053 1419084327 /nfs/dbraw/zinc/08/43/27/1419084327.db2.gz ZBGMWHJXMHWGIM-FPOVZHCZSA-N 2 1 347.547 2.739 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](CCCC(C)C)C1 ZINC001716897053 1419084330 /nfs/dbraw/zinc/08/43/30/1419084330.db2.gz ZBGMWHJXMHWGIM-FPOVZHCZSA-N 2 1 347.547 2.739 10 30 EFEEMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001716999577 1419135853 /nfs/dbraw/zinc/13/58/53/1419135853.db2.gz JVWXWZRXWCZWGI-YSTOQKLRSA-N 2 1 345.531 2.633 10 30 EFEEMP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001717002448 1419138116 /nfs/dbraw/zinc/13/81/16/1419138116.db2.gz ULABHOOFQYEZLM-WTGUMLROSA-N 2 1 345.531 2.539 10 30 EFEEMP C=C(C)C[NH2+]CCN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001717006848 1419143181 /nfs/dbraw/zinc/14/31/81/1419143181.db2.gz GNNPNAYRYHRNSM-SFHVURJKSA-N 2 1 329.488 2.523 10 30 EFEEMP C=C(C)C[NH2+]CCN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001717006847 1419143430 /nfs/dbraw/zinc/14/34/30/1419143430.db2.gz GNNPNAYRYHRNSM-GOSISDBHSA-N 2 1 329.488 2.523 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2C1 ZINC001717013954 1419148706 /nfs/dbraw/zinc/14/87/06/1419148706.db2.gz YRPJXMQHXKVVLU-YSIASYRMSA-N 2 1 347.547 2.852 10 30 EFEEMP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001717101279 1419208976 /nfs/dbraw/zinc/20/89/76/1419208976.db2.gz IZWXYNOHRDJRKC-IAGOWNOFSA-N 2 1 341.927 2.830 10 30 EFEEMP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)cc1 ZINC001717115866 1419219702 /nfs/dbraw/zinc/21/97/02/1419219702.db2.gz PIVJJIZTQMWBRA-XLIONFOSSA-N 2 1 341.499 2.709 10 30 EFEEMP C=CCC[C@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001717122336 1419224368 /nfs/dbraw/zinc/22/43/68/1419224368.db2.gz AGILBNXEXWZCJX-FCGDIQPGSA-N 2 1 335.536 2.948 10 30 EFEEMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCC1 ZINC001717149960 1419238837 /nfs/dbraw/zinc/23/88/37/1419238837.db2.gz IWPHIEDNIFTOMN-QGZVFWFLSA-N 2 1 333.520 2.846 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001717216483 1419269934 /nfs/dbraw/zinc/26/99/34/1419269934.db2.gz JIRMXMSYIUMMSU-RTBURBONSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)CC[NH+]1Cc2ccc(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)cc2C1 ZINC001717271006 1419300131 /nfs/dbraw/zinc/30/01/31/1419300131.db2.gz UBBRVYBADGVHOG-QGZVFWFLSA-N 2 1 341.499 2.926 10 30 EFEEMP C=C(C)CC[N@H+]1Cc2ccc(CNC(=O)C[NH+]3CC[C@@H](C)C3)cc2C1 ZINC001717271006 1419300134 /nfs/dbraw/zinc/30/01/34/1419300134.db2.gz UBBRVYBADGVHOG-QGZVFWFLSA-N 2 1 341.499 2.926 10 30 EFEEMP C=C(C)CC[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3CC[C@@H](C)C3)cc2C1 ZINC001717271006 1419300138 /nfs/dbraw/zinc/30/01/38/1419300138.db2.gz UBBRVYBADGVHOG-QGZVFWFLSA-N 2 1 341.499 2.926 10 30 EFEEMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C(C)(C)C1 ZINC001717311562 1419323084 /nfs/dbraw/zinc/32/30/84/1419323084.db2.gz CUWGJLHUWHWRGJ-RTBURBONSA-N 2 1 341.499 2.529 10 30 EFEEMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C(C)(C)C1 ZINC001717311562 1419323087 /nfs/dbraw/zinc/32/30/87/1419323087.db2.gz CUWGJLHUWHWRGJ-RTBURBONSA-N 2 1 341.499 2.529 10 30 EFEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C(C)(C)C1 ZINC001717311562 1419323090 /nfs/dbraw/zinc/32/30/90/1419323090.db2.gz CUWGJLHUWHWRGJ-RTBURBONSA-N 2 1 341.499 2.529 10 30 EFEEMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)C(C)C)CC2)CC1 ZINC001717348805 1419347715 /nfs/dbraw/zinc/34/77/15/1419347715.db2.gz VXXZKJMCYJPTAA-UHFFFAOYSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001717357634 1419352232 /nfs/dbraw/zinc/35/22/32/1419352232.db2.gz YNLOIWQKCWBAIV-RTBURBONSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001717368773 1419361560 /nfs/dbraw/zinc/36/15/60/1419361560.db2.gz FMGDEEBHXWTCBV-QZTJIDSGSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001717377238 1419369384 /nfs/dbraw/zinc/36/93/84/1419369384.db2.gz AQXXKXJKZZGKFZ-MOPGFXCFSA-N 2 1 345.531 2.609 10 30 EFEEMP C=C(C)C[NH2+]CC1CC(NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001717393525 1419376421 /nfs/dbraw/zinc/37/64/21/1419376421.db2.gz AZFGUJFYEALHGD-KVZIAJEVSA-N 2 1 329.488 2.740 10 30 EFEEMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001717537024 1419433475 /nfs/dbraw/zinc/43/34/75/1419433475.db2.gz VTNYKCSCIALRMZ-QZTJIDSGSA-N 2 1 344.503 2.781 10 30 EFEEMP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001717537024 1419433476 /nfs/dbraw/zinc/43/34/76/1419433476.db2.gz VTNYKCSCIALRMZ-QZTJIDSGSA-N 2 1 344.503 2.781 10 30 EFEEMP C=CCCC[N@H+]1C[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC001717584891 1419456777 /nfs/dbraw/zinc/45/67/77/1419456777.db2.gz FTAKUZHBXZQGPI-WMZOPIPTSA-N 2 1 344.503 2.547 10 30 EFEEMP C=CCCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC001717584891 1419456780 /nfs/dbraw/zinc/45/67/80/1419456780.db2.gz FTAKUZHBXZQGPI-WMZOPIPTSA-N 2 1 344.503 2.547 10 30 EFEEMP C=CCC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[C@H]2C1 ZINC001717625096 1419474751 /nfs/dbraw/zinc/47/47/51/1419474751.db2.gz WMBQLSOZWDREEH-BZSNNMDCSA-N 2 1 335.536 2.757 10 30 EFEEMP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@H]2C1 ZINC001717625096 1419474752 /nfs/dbraw/zinc/47/47/52/1419474752.db2.gz WMBQLSOZWDREEH-BZSNNMDCSA-N 2 1 335.536 2.757 10 30 EFEEMP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@H]2C1 ZINC001717625096 1419474754 /nfs/dbraw/zinc/47/47/54/1419474754.db2.gz WMBQLSOZWDREEH-BZSNNMDCSA-N 2 1 335.536 2.757 10 30 EFEEMP C=CCCC[NH+]1CCCC2(CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001717628607 1419477373 /nfs/dbraw/zinc/47/73/73/1419477373.db2.gz BQKYONXHLHQNAI-SFHVURJKSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@H+]1CCCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001717628607 1419477375 /nfs/dbraw/zinc/47/73/75/1419477375.db2.gz BQKYONXHLHQNAI-SFHVURJKSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@@H+]1CCCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001717628607 1419477376 /nfs/dbraw/zinc/47/73/76/1419477376.db2.gz BQKYONXHLHQNAI-SFHVURJKSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001717647889 1419486720 /nfs/dbraw/zinc/48/67/20/1419486720.db2.gz IIDHPQHKQIRKDR-NRSFXHEJSA-N 2 1 344.503 2.593 10 30 EFEEMP C=CCCCCC[NH+](C)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001717703383 1419517079 /nfs/dbraw/zinc/51/70/79/1419517079.db2.gz HJTXVPHLEZHFAL-SFHVURJKSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCCCC[N@@H+](C)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001717703383 1419517082 /nfs/dbraw/zinc/51/70/82/1419517082.db2.gz HJTXVPHLEZHFAL-SFHVURJKSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCCCC[N@H+](C)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001717703383 1419517086 /nfs/dbraw/zinc/51/70/86/1419517086.db2.gz HJTXVPHLEZHFAL-SFHVURJKSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001717829594 1419560983 /nfs/dbraw/zinc/56/09/83/1419560983.db2.gz HZPTXHUJXCGBNA-IEBWSBKVSA-N 2 1 329.488 2.664 10 30 EFEEMP C=CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001717829594 1419560984 /nfs/dbraw/zinc/56/09/84/1419560984.db2.gz HZPTXHUJXCGBNA-IEBWSBKVSA-N 2 1 329.488 2.664 10 30 EFEEMP C=CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001717829595 1419561053 /nfs/dbraw/zinc/56/10/53/1419561053.db2.gz HZPTXHUJXCGBNA-MJGOQNOKSA-N 2 1 329.488 2.664 10 30 EFEEMP C=CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001717829595 1419561056 /nfs/dbraw/zinc/56/10/56/1419561056.db2.gz HZPTXHUJXCGBNA-MJGOQNOKSA-N 2 1 329.488 2.664 10 30 EFEEMP C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001717861091 1419588989 /nfs/dbraw/zinc/58/89/89/1419588989.db2.gz SZHPDEQHNTZLRP-MSOLQXFVSA-N 2 1 333.520 2.798 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(CC)CC)C(C)(C)C ZINC001717959263 1419629824 /nfs/dbraw/zinc/62/98/24/1419629824.db2.gz BYUUAXXRGWBCEO-ROUUACIJSA-N 2 1 335.536 2.641 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(CC)CC)C(C)(C)C ZINC001717959263 1419629825 /nfs/dbraw/zinc/62/98/25/1419629825.db2.gz BYUUAXXRGWBCEO-ROUUACIJSA-N 2 1 335.536 2.641 10 30 EFEEMP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001717980912 1419640640 /nfs/dbraw/zinc/64/06/40/1419640640.db2.gz QEVPFNUBMXMBBV-XLIONFOSSA-N 2 1 333.520 2.655 10 30 EFEEMP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1CC ZINC001723389714 1424484771 /nfs/dbraw/zinc/48/47/71/1424484771.db2.gz QKDIBTUNDNVCKJ-PMACEKPBSA-N 2 1 343.515 2.911 10 30 EFEEMP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1CC ZINC001723389714 1424484774 /nfs/dbraw/zinc/48/47/74/1424484774.db2.gz QKDIBTUNDNVCKJ-PMACEKPBSA-N 2 1 343.515 2.911 10 30 EFEEMP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1CC ZINC001723389715 1424484968 /nfs/dbraw/zinc/48/49/68/1424484968.db2.gz QKDIBTUNDNVCKJ-UXHICEINSA-N 2 1 343.515 2.911 10 30 EFEEMP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1CC ZINC001723389715 1424484974 /nfs/dbraw/zinc/48/49/74/1424484974.db2.gz QKDIBTUNDNVCKJ-UXHICEINSA-N 2 1 343.515 2.911 10 30 EFEEMP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001723616401 1424537284 /nfs/dbraw/zinc/53/72/84/1424537284.db2.gz AJAGHRCFJAWVPM-MVCQKVDPSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001723649112 1424547971 /nfs/dbraw/zinc/54/79/71/1424547971.db2.gz HJBFVDWCRSKRRZ-LJQANCHMSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001723649112 1424547976 /nfs/dbraw/zinc/54/79/76/1424547976.db2.gz HJBFVDWCRSKRRZ-LJQANCHMSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001723649112 1424547980 /nfs/dbraw/zinc/54/79/80/1424547980.db2.gz HJBFVDWCRSKRRZ-LJQANCHMSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001723678921 1424554735 /nfs/dbraw/zinc/55/47/35/1424554735.db2.gz GKKNCHKEGLXOOV-QUCCMNQESA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001723680297 1424556825 /nfs/dbraw/zinc/55/68/25/1424556825.db2.gz NWRWWQQIQXHXCA-IBGZPJMESA-N 2 1 333.520 2.751 10 30 EFEEMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC[NH+](CCCCC)CC1 ZINC001724047550 1424634997 /nfs/dbraw/zinc/63/49/97/1424634997.db2.gz MZOQIHXKMPVJGS-VQTJNVASSA-N 2 1 347.547 2.833 10 30 EFEEMP C#CCN(C(=O)Cn1cc[nH+]c1C(C)C)C1CC[NH+](CCCC)CC1 ZINC001724058850 1424639970 /nfs/dbraw/zinc/63/99/70/1424639970.db2.gz XRIVHBGQLMWONB-UHFFFAOYSA-N 2 1 344.503 2.733 10 30 EFEEMP C#CCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C1CC[NH+](CCC(=C)C)CC1 ZINC001724064666 1424642886 /nfs/dbraw/zinc/64/28/86/1424642886.db2.gz HLUSQQYYYDGABS-KDURUIRLSA-N 2 1 345.531 2.752 10 30 EFEEMP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1ccc2ccccc2c1 ZINC001724070374 1424644527 /nfs/dbraw/zinc/64/45/27/1424644527.db2.gz FXIRYVQYGOXRLX-RTWAWAEBSA-N 2 1 349.478 2.704 10 30 EFEEMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C1CCCC1 ZINC001724094918 1424653781 /nfs/dbraw/zinc/65/37/81/1424653781.db2.gz LGVIFCWTLJWHPL-PKOBYXMFSA-N 2 1 344.503 2.595 10 30 EFEEMP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001724126745 1424668207 /nfs/dbraw/zinc/66/82/07/1424668207.db2.gz WTBOCJDKSFSCQL-NRFANRHFSA-N 2 1 347.547 2.692 10 30 EFEEMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001724126745 1424668210 /nfs/dbraw/zinc/66/82/10/1424668210.db2.gz WTBOCJDKSFSCQL-NRFANRHFSA-N 2 1 347.547 2.692 10 30 EFEEMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001724126745 1424668213 /nfs/dbraw/zinc/66/82/13/1424668213.db2.gz WTBOCJDKSFSCQL-NRFANRHFSA-N 2 1 347.547 2.692 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CCCC(C)(C)C)C2)CC1 ZINC001724189386 1424694360 /nfs/dbraw/zinc/69/43/60/1424694360.db2.gz KGLJYZNEORTCEO-OAQYLSRUSA-N 2 1 347.547 2.739 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001724329228 1424737444 /nfs/dbraw/zinc/73/74/44/1424737444.db2.gz DTRHDPZFKBNYSN-PXNSSMCTSA-N 2 1 344.503 2.548 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001724329228 1424737447 /nfs/dbraw/zinc/73/74/47/1424737447.db2.gz DTRHDPZFKBNYSN-PXNSSMCTSA-N 2 1 344.503 2.548 10 30 EFEEMP C=CCCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001724376433 1424750905 /nfs/dbraw/zinc/75/09/05/1424750905.db2.gz QXTODULVSIBCGZ-HZPDHXFCSA-N 2 1 343.462 2.510 10 30 EFEEMP C=CCCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001724376433 1424750910 /nfs/dbraw/zinc/75/09/10/1424750910.db2.gz QXTODULVSIBCGZ-HZPDHXFCSA-N 2 1 343.462 2.510 10 30 EFEEMP C=CCCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001724376433 1424750913 /nfs/dbraw/zinc/75/09/13/1424750913.db2.gz QXTODULVSIBCGZ-HZPDHXFCSA-N 2 1 343.462 2.510 10 30 EFEEMP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)CC[N@H+](C)CCC)C2)CC1 ZINC001724508011 1424774998 /nfs/dbraw/zinc/77/49/98/1424774998.db2.gz IXKNNQMZJNWZAR-LJQANCHMSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C)Cc3c[nH]cn3)C[C@H]2C1 ZINC001724632469 1424856175 /nfs/dbraw/zinc/85/61/75/1424856175.db2.gz XBNQNUMZQTUOBO-KURKYZTESA-N 2 1 344.503 2.725 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001724647312 1424876205 /nfs/dbraw/zinc/87/62/05/1424876205.db2.gz IZXTZKBALOVUGE-QRVBRYPASA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001724647312 1424876214 /nfs/dbraw/zinc/87/62/14/1424876214.db2.gz IZXTZKBALOVUGE-QRVBRYPASA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001724647312 1424876219 /nfs/dbraw/zinc/87/62/19/1424876219.db2.gz IZXTZKBALOVUGE-QRVBRYPASA-N 2 1 333.520 2.892 10 30 EFEEMP C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)C[NH+](C)C1CCC1 ZINC001724736632 1424961646 /nfs/dbraw/zinc/96/16/46/1424961646.db2.gz IQTSTEDMDHGSKC-UHFFFAOYSA-N 2 1 329.488 2.795 10 30 EFEEMP C=C(C)C[NH+](C)Cc1ccccc1CNC(=O)C[N@H+](C)C1CCC1 ZINC001724736632 1424961650 /nfs/dbraw/zinc/96/16/50/1424961650.db2.gz IQTSTEDMDHGSKC-UHFFFAOYSA-N 2 1 329.488 2.795 10 30 EFEEMP C=C(C)C[NH+](C)Cc1ccccc1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001724736632 1424961654 /nfs/dbraw/zinc/96/16/54/1424961654.db2.gz IQTSTEDMDHGSKC-UHFFFAOYSA-N 2 1 329.488 2.795 10 30 EFEEMP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001724752482 1424981391 /nfs/dbraw/zinc/98/13/91/1424981391.db2.gz RRJLJFFJFCOXRC-KZNAEPCWSA-N 2 1 344.503 2.595 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001724753721 1424983903 /nfs/dbraw/zinc/98/39/03/1424983903.db2.gz CVZAMZWMBPQRCB-VJANTYMQSA-N 2 1 333.520 2.844 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001724758876 1424989379 /nfs/dbraw/zinc/98/93/79/1424989379.db2.gz XRUKBNBHCFYQHO-KRWDZBQOSA-N 2 1 333.520 2.750 10 30 EFEEMP C=C(C)C[NH2+]C1(CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CCC1 ZINC001724799366 1425020655 /nfs/dbraw/zinc/02/06/55/1425020655.db2.gz SXAJPVMHZVUUBM-SFHVURJKSA-N 2 1 329.488 2.884 10 30 EFEEMP C#CCC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001724863270 1425079008 /nfs/dbraw/zinc/07/90/08/1425079008.db2.gz ORHJLFCJUIXBTC-UXHICEINSA-N 2 1 347.547 2.692 10 30 EFEEMP C#CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001724863270 1425079019 /nfs/dbraw/zinc/07/90/19/1425079019.db2.gz ORHJLFCJUIXBTC-UXHICEINSA-N 2 1 347.547 2.692 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001724863270 1425079025 /nfs/dbraw/zinc/07/90/25/1425079025.db2.gz ORHJLFCJUIXBTC-UXHICEINSA-N 2 1 347.547 2.692 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+](C)C(C)C)C2 ZINC001724900809 1425120707 /nfs/dbraw/zinc/12/07/07/1425120707.db2.gz RMGWTYCZVMDBJJ-AZUAARDMSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001724900809 1425120716 /nfs/dbraw/zinc/12/07/16/1425120716.db2.gz RMGWTYCZVMDBJJ-AZUAARDMSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001724900809 1425120727 /nfs/dbraw/zinc/12/07/27/1425120727.db2.gz RMGWTYCZVMDBJJ-AZUAARDMSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[N@H+](CC)CC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001725026256 1425236443 /nfs/dbraw/zinc/23/64/43/1425236443.db2.gz QRBBLGAPJPHFEL-ROUUACIJSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001725056333 1425267577 /nfs/dbraw/zinc/26/75/77/1425267577.db2.gz TWNLCPNPYVJNBO-PMACEKPBSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCC[C@H](C)[NH2+]C1CCC(N(C)C(=O)Cn2c[nH+]cc2C)CC1 ZINC001725132159 1425322142 /nfs/dbraw/zinc/32/21/42/1425322142.db2.gz VAKHDKNQIHVAKI-ZLPCBKJTSA-N 2 1 332.492 2.905 10 30 EFEEMP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001725240866 1425406137 /nfs/dbraw/zinc/40/61/37/1425406137.db2.gz MZJNSHDHAVBXDZ-FQEVSTJZSA-N 2 1 341.499 2.503 10 30 EFEEMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001725240866 1425406141 /nfs/dbraw/zinc/40/61/41/1425406141.db2.gz MZJNSHDHAVBXDZ-FQEVSTJZSA-N 2 1 341.499 2.503 10 30 EFEEMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001725240866 1425406145 /nfs/dbraw/zinc/40/61/45/1425406145.db2.gz MZJNSHDHAVBXDZ-FQEVSTJZSA-N 2 1 341.499 2.503 10 30 EFEEMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001725240866 1425406148 /nfs/dbraw/zinc/40/61/48/1425406148.db2.gz MZJNSHDHAVBXDZ-FQEVSTJZSA-N 2 1 341.499 2.503 10 30 EFEEMP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001725240867 1425406657 /nfs/dbraw/zinc/40/66/57/1425406657.db2.gz MZJNSHDHAVBXDZ-HXUWFJFHSA-N 2 1 341.499 2.503 10 30 EFEEMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001725240867 1425406661 /nfs/dbraw/zinc/40/66/61/1425406661.db2.gz MZJNSHDHAVBXDZ-HXUWFJFHSA-N 2 1 341.499 2.503 10 30 EFEEMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001725240867 1425406664 /nfs/dbraw/zinc/40/66/64/1425406664.db2.gz MZJNSHDHAVBXDZ-HXUWFJFHSA-N 2 1 341.499 2.503 10 30 EFEEMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001725240867 1425406666 /nfs/dbraw/zinc/40/66/66/1425406666.db2.gz MZJNSHDHAVBXDZ-HXUWFJFHSA-N 2 1 341.499 2.503 10 30 EFEEMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001725243761 1425410111 /nfs/dbraw/zinc/41/01/11/1425410111.db2.gz ZONZPEJFWXDUQF-LJQANCHMSA-N 2 1 333.520 2.637 10 30 EFEEMP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C[C@H]2C1 ZINC001725331578 1425474165 /nfs/dbraw/zinc/47/41/65/1425474165.db2.gz CCFDNQGEMCSYPG-FHWLQOOXSA-N 2 1 333.520 2.655 10 30 EFEEMP C=CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@@H+](C)Cc3ccccc3)C[C@@H]2C1 ZINC001725336746 1425480624 /nfs/dbraw/zinc/48/06/24/1425480624.db2.gz VYEMEXLOYSWLDP-XUVXKRRUSA-N 2 1 341.499 2.521 10 30 EFEEMP C=CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@H+](C)Cc3ccccc3)C[C@@H]2C1 ZINC001725336746 1425480628 /nfs/dbraw/zinc/48/06/28/1425480628.db2.gz VYEMEXLOYSWLDP-XUVXKRRUSA-N 2 1 341.499 2.521 10 30 EFEEMP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)Cc3ccccc3)C[C@@H]2C1 ZINC001725336746 1425480632 /nfs/dbraw/zinc/48/06/32/1425480632.db2.gz VYEMEXLOYSWLDP-XUVXKRRUSA-N 2 1 341.499 2.521 10 30 EFEEMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)Cc3ccccc3)C[C@@H]2C1 ZINC001725336746 1425480637 /nfs/dbraw/zinc/48/06/37/1425480637.db2.gz VYEMEXLOYSWLDP-XUVXKRRUSA-N 2 1 341.499 2.521 10 30 EFEEMP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C[C@H]2C1 ZINC001725338198 1425484282 /nfs/dbraw/zinc/48/42/82/1425484282.db2.gz ZWUPVIQOESYJFV-FHWLQOOXSA-N 2 1 333.520 2.655 10 30 EFEEMP C=CCCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001725344401 1425493433 /nfs/dbraw/zinc/49/34/33/1425493433.db2.gz GQOSEQTZOJRJDW-OALUTQOASA-N 2 1 347.547 2.997 10 30 EFEEMP C=C(C)CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001725401898 1425544566 /nfs/dbraw/zinc/54/45/66/1425544566.db2.gz OHKIQLPTILQKJO-WBVHZDCISA-N 2 1 332.492 2.595 10 30 EFEEMP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001725417419 1425561659 /nfs/dbraw/zinc/56/16/59/1425561659.db2.gz PELMCXUSLOZVNW-PBHICJAKSA-N 2 1 347.906 2.826 10 30 EFEEMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H]1C ZINC001725626214 1425722237 /nfs/dbraw/zinc/72/22/37/1425722237.db2.gz KVXDDIBGBKTXBM-FUHWJXTLSA-N 2 1 333.520 2.632 10 30 EFEEMP CC#CC[NH+]1CCC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@@H]1C ZINC001725626214 1425722239 /nfs/dbraw/zinc/72/22/39/1425722239.db2.gz KVXDDIBGBKTXBM-FUHWJXTLSA-N 2 1 333.520 2.632 10 30 EFEEMP CC#CC[NH+]1CCC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@@H]1C ZINC001725626214 1425722244 /nfs/dbraw/zinc/72/22/44/1425722244.db2.gz KVXDDIBGBKTXBM-FUHWJXTLSA-N 2 1 333.520 2.632 10 30 EFEEMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1(C)C ZINC001725664763 1425763423 /nfs/dbraw/zinc/76/34/23/1425763423.db2.gz MWGBNSFEFMRHCC-ZWKOTPCHSA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC1(C)C ZINC001725682783 1425779180 /nfs/dbraw/zinc/77/91/80/1425779180.db2.gz UNRWZIYDHUXZDY-INIZCTEOSA-N 2 1 332.492 2.799 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC1(C)C ZINC001725682786 1425779234 /nfs/dbraw/zinc/77/92/34/1425779234.db2.gz UNRWZIYDHUXZDY-MRXNPFEDSA-N 2 1 332.492 2.799 10 30 EFEEMP C#CCC[NH+]1CCC([C@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001725765810 1425832610 /nfs/dbraw/zinc/83/26/10/1425832610.db2.gz FOKWPGUPXHHYSE-IRXDYDNUSA-N 2 1 344.503 2.637 10 30 EFEEMP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C(C)(C)C ZINC001725795665 1425857033 /nfs/dbraw/zinc/85/70/33/1425857033.db2.gz OSKABNKCPQUNIY-OALUTQOASA-N 2 1 347.547 2.927 10 30 EFEEMP CC[NH+]=C(NCc1nc(C)c(C)s1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261997362 722676669 /nfs/dbraw/zinc/67/66/69/722676669.db2.gz SRWBIPRVEDCHCJ-IUODEOHRSA-N 2 1 337.537 2.544 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000908145738 727102384 /nfs/dbraw/zinc/10/23/84/727102384.db2.gz IHASHALFBVXECP-NRFANRHFSA-N 2 1 341.499 2.619 10 30 EFEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C(C)(C)C1 ZINC000941244963 727922057 /nfs/dbraw/zinc/92/20/57/727922057.db2.gz RBSZAPXNHVHPLS-GOSISDBHSA-N 2 1 345.487 2.585 10 30 EFEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000941238651 727926249 /nfs/dbraw/zinc/92/62/49/727926249.db2.gz ZERFZFDITKOKMA-LJQANCHMSA-N 2 1 341.499 2.602 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000940736206 728224168 /nfs/dbraw/zinc/22/41/68/728224168.db2.gz BXQACTREMQZSOK-HOTGVXAUSA-N 2 1 341.927 2.828 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000940736206 728224170 /nfs/dbraw/zinc/22/41/70/728224170.db2.gz BXQACTREMQZSOK-HOTGVXAUSA-N 2 1 341.927 2.828 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940736206 728224173 /nfs/dbraw/zinc/22/41/73/728224173.db2.gz BXQACTREMQZSOK-HOTGVXAUSA-N 2 1 341.927 2.828 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940736206 728224176 /nfs/dbraw/zinc/22/41/76/728224176.db2.gz BXQACTREMQZSOK-HOTGVXAUSA-N 2 1 341.927 2.828 10 30 EFEEMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940801943 728251829 /nfs/dbraw/zinc/25/18/29/728251829.db2.gz ZZAAYLSMQOXKNY-ZWKOTPCHSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000940801943 728251831 /nfs/dbraw/zinc/25/18/31/728251831.db2.gz ZZAAYLSMQOXKNY-ZWKOTPCHSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940801943 728251835 /nfs/dbraw/zinc/25/18/35/728251835.db2.gz ZZAAYLSMQOXKNY-ZWKOTPCHSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940801940 728252114 /nfs/dbraw/zinc/25/21/14/728252114.db2.gz ZZAAYLSMQOXKNY-MSOLQXFVSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000940801940 728252116 /nfs/dbraw/zinc/25/21/16/728252116.db2.gz ZZAAYLSMQOXKNY-MSOLQXFVSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940801940 728252117 /nfs/dbraw/zinc/25/21/17/728252117.db2.gz ZZAAYLSMQOXKNY-MSOLQXFVSA-N 2 1 333.520 2.796 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(CC)CC)CC1(C)C ZINC000940807399 728254435 /nfs/dbraw/zinc/25/44/35/728254435.db2.gz NMSFMGQIGKGRTB-RBUKOAKNSA-N 2 1 347.547 2.737 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(CC)CC)CC1(C)C ZINC000940807399 728254436 /nfs/dbraw/zinc/25/44/36/728254436.db2.gz NMSFMGQIGKGRTB-RBUKOAKNSA-N 2 1 347.547 2.737 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC(CC)CC)CC1(C)C ZINC000940807399 728254440 /nfs/dbraw/zinc/25/44/40/728254440.db2.gz NMSFMGQIGKGRTB-RBUKOAKNSA-N 2 1 347.547 2.737 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC(CC)CC)CC1(C)C ZINC000940807399 728254442 /nfs/dbraw/zinc/25/44/42/728254442.db2.gz NMSFMGQIGKGRTB-RBUKOAKNSA-N 2 1 347.547 2.737 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000940865405 728288238 /nfs/dbraw/zinc/28/82/38/728288238.db2.gz XSUJWCDJTAMHEK-QGZVFWFLSA-N 2 1 333.520 2.798 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cccc3nccn32)C(C)(C)C1 ZINC000940885377 728301685 /nfs/dbraw/zinc/30/16/85/728301685.db2.gz AOAHGMVGGCWDHU-MRXNPFEDSA-N 2 1 326.444 2.741 10 30 EFEEMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000940972264 728344487 /nfs/dbraw/zinc/34/44/87/728344487.db2.gz KEESVERHDRLGGA-ZWKOTPCHSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000940972264 728344489 /nfs/dbraw/zinc/34/44/89/728344489.db2.gz KEESVERHDRLGGA-ZWKOTPCHSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000940972264 728344491 /nfs/dbraw/zinc/34/44/91/728344491.db2.gz KEESVERHDRLGGA-ZWKOTPCHSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000940988593 728361082 /nfs/dbraw/zinc/36/10/82/728361082.db2.gz UOXGTTSNLCTTIF-WMZOPIPTSA-N 2 1 344.503 2.547 10 30 EFEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000940988593 728361084 /nfs/dbraw/zinc/36/10/84/728361084.db2.gz UOXGTTSNLCTTIF-WMZOPIPTSA-N 2 1 344.503 2.547 10 30 EFEEMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C(C)(C)C1 ZINC000941027512 728373791 /nfs/dbraw/zinc/37/37/91/728373791.db2.gz HBNHVCGJGCLLPM-IBGZPJMESA-N 2 1 343.515 2.807 10 30 EFEEMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000941092144 728398878 /nfs/dbraw/zinc/39/88/78/728398878.db2.gz CCEPHZJHKOORQD-SFHVURJKSA-N 2 1 329.488 2.765 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941079606 728401318 /nfs/dbraw/zinc/40/13/18/728401318.db2.gz PSQBOPDKTIIRDZ-GOSISDBHSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001569435113 1085209328 /nfs/dbraw/zinc/20/93/28/1085209328.db2.gz ZLDVSQWXWAMHEL-UXHICEINSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001569435113 1085209335 /nfs/dbraw/zinc/20/93/35/1085209335.db2.gz ZLDVSQWXWAMHEL-UXHICEINSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001569435113 1085209344 /nfs/dbraw/zinc/20/93/44/1085209344.db2.gz ZLDVSQWXWAMHEL-UXHICEINSA-N 2 1 347.547 2.997 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001569466783 1085260933 /nfs/dbraw/zinc/26/09/33/1085260933.db2.gz FKHKTZULYKOCJA-OAQYLSRUSA-N 2 1 345.531 2.590 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCC2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001569471272 1085268708 /nfs/dbraw/zinc/26/87/08/1085268708.db2.gz ZMMLKKGAFMSXEH-RBUKOAKNSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3cncn3C)C2)C1 ZINC001569481096 1085288812 /nfs/dbraw/zinc/28/88/12/1085288812.db2.gz NXYQWRQBCFJXNB-HXUWFJFHSA-N 2 1 344.503 2.633 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCC1CCCCC1 ZINC001569545180 1085362034 /nfs/dbraw/zinc/36/20/34/1085362034.db2.gz VIDMOSRKGKODCE-PMACEKPBSA-N 2 1 345.531 2.635 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCC1CCCCC1 ZINC001569545180 1085362039 /nfs/dbraw/zinc/36/20/39/1085362039.db2.gz VIDMOSRKGKODCE-PMACEKPBSA-N 2 1 345.531 2.635 10 30 EFEEMP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001569567599 1085384466 /nfs/dbraw/zinc/38/44/66/1085384466.db2.gz ZKMLJSDGGCTEPP-RBUKOAKNSA-N 2 1 329.488 2.836 10 30 EFEEMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC[NH+](CCCCC)CC1 ZINC001569591155 1085413571 /nfs/dbraw/zinc/41/35/71/1085413571.db2.gz CHJPKSXZEPLQMY-OALUTQOASA-N 2 1 347.547 2.833 10 30 EFEEMP C#CCC[NH2+]C[C@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C1CCCC1 ZINC001569606895 1085433312 /nfs/dbraw/zinc/43/33/12/1085433312.db2.gz UMXMSBDFLIHUMZ-IBGZPJMESA-N 2 1 347.547 2.927 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001569725943 1085562201 /nfs/dbraw/zinc/56/22/01/1085562201.db2.gz KCYDHTZAUKJZMV-AZUAARDMSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001569725944 1085562497 /nfs/dbraw/zinc/56/24/97/1085562497.db2.gz KCYDHTZAUKJZMV-ICSRJNTNSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)CC1 ZINC001569800993 1085617571 /nfs/dbraw/zinc/61/75/71/1085617571.db2.gz XVMMXVZHJXJOAV-LJQANCHMSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC[NH+]1CCCC1 ZINC001569915158 1085759518 /nfs/dbraw/zinc/75/95/18/1085759518.db2.gz OIXKDNJOASUIIV-RTBURBONSA-N 2 1 333.520 2.894 10 30 EFEEMP C=CCCCCC[NH+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001569921868 1085772520 /nfs/dbraw/zinc/77/25/20/1085772520.db2.gz UPGHCFSYOAEDJW-SLFFLAALSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCCCC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001569921868 1085772531 /nfs/dbraw/zinc/77/25/31/1085772531.db2.gz UPGHCFSYOAEDJW-SLFFLAALSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCCCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001569921868 1085772541 /nfs/dbraw/zinc/77/25/41/1085772541.db2.gz UPGHCFSYOAEDJW-SLFFLAALSA-N 2 1 347.547 2.997 10 30 EFEEMP CC#CC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001570026724 1085875225 /nfs/dbraw/zinc/87/52/25/1085875225.db2.gz IAKRMILXKZCJEJ-HXUWFJFHSA-N 2 1 341.499 2.632 10 30 EFEEMP CC#CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001570026724 1085875231 /nfs/dbraw/zinc/87/52/31/1085875231.db2.gz IAKRMILXKZCJEJ-HXUWFJFHSA-N 2 1 341.499 2.632 10 30 EFEEMP CC#CC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001570026724 1085875236 /nfs/dbraw/zinc/87/52/36/1085875236.db2.gz IAKRMILXKZCJEJ-HXUWFJFHSA-N 2 1 341.499 2.632 10 30 EFEEMP C=CC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001570026835 1085875339 /nfs/dbraw/zinc/87/53/39/1085875339.db2.gz LLILUVJXFJLHCC-VQTJNVASSA-N 2 1 341.499 2.938 10 30 EFEEMP C=CC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001570026835 1085875348 /nfs/dbraw/zinc/87/53/48/1085875348.db2.gz LLILUVJXFJLHCC-VQTJNVASSA-N 2 1 341.499 2.938 10 30 EFEEMP C=CC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001570026835 1085875358 /nfs/dbraw/zinc/87/53/58/1085875358.db2.gz LLILUVJXFJLHCC-VQTJNVASSA-N 2 1 341.499 2.938 10 30 EFEEMP C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001570271087 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XLZLZHKGGUNWDD-QGZVFWFLSA-N 2 1 332.492 2.547 10 30 EFEEMP C=C(Cl)C[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1CC)C(C)C ZINC001267340617 1093618281 /nfs/dbraw/zinc/61/82/81/1093618281.db2.gz OMUZTGASAGKFCN-INIZCTEOSA-N 2 1 329.916 2.830 10 30 EFEEMP C=C(Cl)C[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1CC)C(C)C ZINC001267340617 1093618284 /nfs/dbraw/zinc/61/82/84/1093618284.db2.gz OMUZTGASAGKFCN-INIZCTEOSA-N 2 1 329.916 2.830 10 30 EFEEMP C=C(Cl)C[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1CC)C(C)C ZINC001267340617 1093618288 /nfs/dbraw/zinc/61/82/88/1093618288.db2.gz OMUZTGASAGKFCN-INIZCTEOSA-N 2 1 329.916 2.830 10 30 EFEEMP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC001267382860 1094429717 /nfs/dbraw/zinc/42/97/17/1094429717.db2.gz VJOIQFJEUYUTCN-RTBURBONSA-N 2 1 329.488 2.884 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001481094264 1094449863 /nfs/dbraw/zinc/44/98/63/1094449863.db2.gz QXCZHTHHGPFRPK-SJORKVTESA-N 2 1 344.503 2.555 10 30 EFEEMP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)CC2 ZINC001268045911 1094831815 /nfs/dbraw/zinc/83/18/15/1094831815.db2.gz MVZZLQDZZMQIEP-LJQANCHMSA-N 2 1 347.547 2.999 10 30 EFEEMP C#CCC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)C(C)C ZINC001267501108 1095051479 /nfs/dbraw/zinc/05/14/79/1095051479.db2.gz IYDSKOWOBUYOCK-IBGZPJMESA-N 2 1 347.547 2.881 10 30 EFEEMP C#CCC[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001267501108 1095051490 /nfs/dbraw/zinc/05/14/90/1095051490.db2.gz IYDSKOWOBUYOCK-IBGZPJMESA-N 2 1 347.547 2.881 10 30 EFEEMP C#CCC[NH+](CCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC001267501108 1095051504 /nfs/dbraw/zinc/05/15/04/1095051504.db2.gz IYDSKOWOBUYOCK-IBGZPJMESA-N 2 1 347.547 2.881 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001481174939 1095120524 /nfs/dbraw/zinc/12/05/24/1095120524.db2.gz YENSMWZXMIVEIS-QGZVFWFLSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCC[C@H](C)[N@H+](CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001481186230 1095182726 /nfs/dbraw/zinc/18/27/26/1095182726.db2.gz MOGICQCKTZYZFM-RDJZCZTQSA-N 2 1 344.503 2.689 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001481186230 1095182732 /nfs/dbraw/zinc/18/27/32/1095182732.db2.gz MOGICQCKTZYZFM-RDJZCZTQSA-N 2 1 344.503 2.689 10 30 EFEEMP C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)Cc2cnccc2OC)C1 ZINC001267657735 1095356434 /nfs/dbraw/zinc/35/64/34/1095356434.db2.gz DAQPPOCEJWDNKX-SJORKVTESA-N 2 1 345.487 2.768 10 30 EFEEMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001267665779 1095383174 /nfs/dbraw/zinc/38/31/74/1095383174.db2.gz LIVUYGSRSIDHTQ-GOSISDBHSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[NH+](C)C[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001267665779 1095383186 /nfs/dbraw/zinc/38/31/86/1095383186.db2.gz LIVUYGSRSIDHTQ-GOSISDBHSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[NH+](C)C[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001267665779 1095383198 /nfs/dbraw/zinc/38/31/98/1095383198.db2.gz LIVUYGSRSIDHTQ-GOSISDBHSA-N 2 1 335.536 2.997 10 30 EFEEMP C#CCN1CCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001267536081 1095392757 /nfs/dbraw/zinc/39/27/57/1095392757.db2.gz LTCNYGOQSOAVEE-OALUTQOASA-N 2 1 347.547 2.739 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001267536081 1095392772 /nfs/dbraw/zinc/39/27/72/1095392772.db2.gz LTCNYGOQSOAVEE-OALUTQOASA-N 2 1 347.547 2.739 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001267536081 1095392783 /nfs/dbraw/zinc/39/27/83/1095392783.db2.gz LTCNYGOQSOAVEE-OALUTQOASA-N 2 1 347.547 2.739 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001267536081 1095392798 /nfs/dbraw/zinc/39/27/98/1095392798.db2.gz LTCNYGOQSOAVEE-OALUTQOASA-N 2 1 347.547 2.739 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001267536081 1095392809 /nfs/dbraw/zinc/39/28/09/1095392809.db2.gz LTCNYGOQSOAVEE-OALUTQOASA-N 2 1 347.547 2.739 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC=C(C)C)C1CCCCC1 ZINC001268120533 1095405970 /nfs/dbraw/zinc/40/59/70/1095405970.db2.gz WPLGSHONLQOCSC-PMACEKPBSA-N 2 1 345.531 2.705 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC=C(C)C)C1CCCCC1 ZINC001268120533 1095405975 /nfs/dbraw/zinc/40/59/75/1095405975.db2.gz WPLGSHONLQOCSC-PMACEKPBSA-N 2 1 345.531 2.705 10 30 EFEEMP C=CCCCCC[NH+]1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001267686393 1095448555 /nfs/dbraw/zinc/44/85/55/1095448555.db2.gz QLNFFQNIHVNRAW-RTBURBONSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001268134671 1095460339 /nfs/dbraw/zinc/46/03/39/1095460339.db2.gz JPVYFKCUXWLVNN-AZUAARDMSA-N 2 1 343.515 2.564 10 30 EFEEMP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1C ZINC001268134673 1095460428 /nfs/dbraw/zinc/46/04/28/1095460428.db2.gz JPVYFKCUXWLVNN-QUCCMNQESA-N 2 1 343.515 2.564 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001267557855 1095519117 /nfs/dbraw/zinc/51/91/17/1095519117.db2.gz NVGQKWGOBMBCKZ-PKOBYXMFSA-N 2 1 333.520 2.798 10 30 EFEEMP C=C(C)C[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001267557855 1095519128 /nfs/dbraw/zinc/51/91/28/1095519128.db2.gz NVGQKWGOBMBCKZ-PKOBYXMFSA-N 2 1 333.520 2.798 10 30 EFEEMP C=C(C)C[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001267557855 1095519137 /nfs/dbraw/zinc/51/91/37/1095519137.db2.gz NVGQKWGOBMBCKZ-PKOBYXMFSA-N 2 1 333.520 2.798 10 30 EFEEMP CC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001267562696 1095562829 /nfs/dbraw/zinc/56/28/29/1095562829.db2.gz MIWNTNDEFFOEED-UYAOXDASSA-N 2 1 345.531 2.635 10 30 EFEEMP CC#CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001267562696 1095562844 /nfs/dbraw/zinc/56/28/44/1095562844.db2.gz MIWNTNDEFFOEED-UYAOXDASSA-N 2 1 345.531 2.635 10 30 EFEEMP CC#CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001267562696 1095562852 /nfs/dbraw/zinc/56/28/52/1095562852.db2.gz MIWNTNDEFFOEED-UYAOXDASSA-N 2 1 345.531 2.635 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001267708330 1095565644 /nfs/dbraw/zinc/56/56/44/1095565644.db2.gz LHAFNUHKJKSYDG-RTBURBONSA-N 2 1 335.536 2.997 10 30 EFEEMP CC#CC[N@@H+](C)CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001267729864 1095732040 /nfs/dbraw/zinc/73/20/40/1095732040.db2.gz IMJSJZGSEQIXBZ-QGZVFWFLSA-N 2 1 344.503 2.590 10 30 EFEEMP CC#CC[N@H+](C)CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001267729864 1095732051 /nfs/dbraw/zinc/73/20/51/1095732051.db2.gz IMJSJZGSEQIXBZ-QGZVFWFLSA-N 2 1 344.503 2.590 10 30 EFEEMP C=CCCC[N@H+](C)CC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001267733133 1095747955 /nfs/dbraw/zinc/74/79/55/1095747955.db2.gz DFTDJHIRJZGRBK-LJQANCHMSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[NH+](C)CC1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001267733133 1095747969 /nfs/dbraw/zinc/74/79/69/1095747969.db2.gz DFTDJHIRJZGRBK-LJQANCHMSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[NH+](C)CC1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001267733133 1095747981 /nfs/dbraw/zinc/74/79/81/1095747981.db2.gz DFTDJHIRJZGRBK-LJQANCHMSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CC[N@@H+](C)CCC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001268201116 1096093134 /nfs/dbraw/zinc/09/31/34/1096093134.db2.gz GTQJXYYSFLIKAP-UHFFFAOYSA-N 2 1 335.536 2.999 10 30 EFEEMP C=CC[N@H+](C)CC1CCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001267599739 1096166032 /nfs/dbraw/zinc/16/60/32/1096166032.db2.gz AOOCCQJKSGMDQD-UHFFFAOYSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CC[NH+](C)CC1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001267599739 1096166037 /nfs/dbraw/zinc/16/60/37/1096166037.db2.gz AOOCCQJKSGMDQD-UHFFFAOYSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CC[NH+](C)CC1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001267599739 1096166044 /nfs/dbraw/zinc/16/60/44/1096166044.db2.gz AOOCCQJKSGMDQD-UHFFFAOYSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](C)CC1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001267601108 1096190548 /nfs/dbraw/zinc/19/05/48/1096190548.db2.gz KKJLQDSDHZGPDI-QGZVFWFLSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[C@@H](C)[NH+](C)CC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001267601108 1096190555 /nfs/dbraw/zinc/19/05/55/1096190555.db2.gz KKJLQDSDHZGPDI-QGZVFWFLSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[C@@H](C)[NH+](C)CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001267601108 1096190558 /nfs/dbraw/zinc/19/05/58/1096190558.db2.gz KKJLQDSDHZGPDI-QGZVFWFLSA-N 2 1 335.536 2.996 10 30 EFEEMP C#CCC[N@H+](C)CC1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001267600600 1096191763 /nfs/dbraw/zinc/19/17/63/1096191763.db2.gz RBEJBEJBLOUQCX-UHFFFAOYSA-N 2 1 347.547 2.692 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001481732852 1096452365 /nfs/dbraw/zinc/45/23/65/1096452365.db2.gz XECFXVAHYFIXSK-ROUUACIJSA-N 2 1 344.503 2.725 10 30 EFEEMP C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001481983827 1097045276 /nfs/dbraw/zinc/04/52/76/1097045276.db2.gz JXASHJPHFJMNQI-UYAOXDASSA-N 2 1 345.531 2.635 10 30 EFEEMP C=C(C)C[NH2+]CCC1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001482002463 1097074943 /nfs/dbraw/zinc/07/49/43/1097074943.db2.gz KBAHXQPVVLSVMJ-GOSISDBHSA-N 2 1 344.503 2.548 10 30 EFEEMP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)cc1 ZINC001482032025 1097123903 /nfs/dbraw/zinc/12/39/03/1097123903.db2.gz JZYVEJLLELIHHB-UXHICEINSA-N 2 1 341.499 2.985 10 30 EFEEMP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)cc1 ZINC001482032024 1097124375 /nfs/dbraw/zinc/12/43/75/1097124375.db2.gz JZYVEJLLELIHHB-PMACEKPBSA-N 2 1 341.499 2.985 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCC1CCCCCC1 ZINC001268552226 1097178292 /nfs/dbraw/zinc/17/82/92/1097178292.db2.gz KSEIQABNIQORGL-DUIUGDAFSA-N 2 1 345.531 2.707 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCC1CCCCCC1 ZINC001268552226 1097178296 /nfs/dbraw/zinc/17/82/96/1097178296.db2.gz KSEIQABNIQORGL-DUIUGDAFSA-N 2 1 345.531 2.707 10 30 EFEEMP CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1nccn1C ZINC001268955928 1097744721 /nfs/dbraw/zinc/74/47/21/1097744721.db2.gz SFZLNKLFIORDPV-IRXDYDNUSA-N 2 1 332.492 2.608 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001269281685 1098016455 /nfs/dbraw/zinc/01/64/55/1098016455.db2.gz UCHGRPPSDXZXSH-IRXDYDNUSA-N 2 1 332.492 2.894 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001269281685 1098016459 /nfs/dbraw/zinc/01/64/59/1098016459.db2.gz UCHGRPPSDXZXSH-IRXDYDNUSA-N 2 1 332.492 2.894 10 30 EFEEMP C=CCCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001269346152 1098073039 /nfs/dbraw/zinc/07/30/39/1098073039.db2.gz ZRXWGWISFYINKA-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001269346152 1098073046 /nfs/dbraw/zinc/07/30/46/1098073046.db2.gz ZRXWGWISFYINKA-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001269346152 1098073049 /nfs/dbraw/zinc/07/30/49/1098073049.db2.gz ZRXWGWISFYINKA-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H](N(CC)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001269348571 1098077369 /nfs/dbraw/zinc/07/73/69/1098077369.db2.gz LTEMLGJPECRDDO-KRWDZBQOSA-N 2 1 332.492 2.896 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001269348571 1098077373 /nfs/dbraw/zinc/07/73/73/1098077373.db2.gz LTEMLGJPECRDDO-KRWDZBQOSA-N 2 1 332.492 2.896 10 30 EFEEMP CC#CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC2)C1 ZINC001269553591 1098243415 /nfs/dbraw/zinc/24/34/15/1098243415.db2.gz WIRQXZKDDKANAJ-IBGZPJMESA-N 2 1 347.547 2.548 10 30 EFEEMP CC#CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC2)C1 ZINC001269553591 1098243419 /nfs/dbraw/zinc/24/34/19/1098243419.db2.gz WIRQXZKDDKANAJ-IBGZPJMESA-N 2 1 347.547 2.548 10 30 EFEEMP C#CCC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)C1CCCCCC1 ZINC001269611766 1098296675 /nfs/dbraw/zinc/29/66/75/1098296675.db2.gz QAYRVCTZUJTMIN-LJQANCHMSA-N 2 1 333.520 2.635 10 30 EFEEMP C#CCC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)C1CCCCCC1 ZINC001269611766 1098296679 /nfs/dbraw/zinc/29/66/79/1098296679.db2.gz QAYRVCTZUJTMIN-LJQANCHMSA-N 2 1 333.520 2.635 10 30 EFEEMP C#CCC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)C1CCCCCC1 ZINC001269611766 1098296686 /nfs/dbraw/zinc/29/66/86/1098296686.db2.gz QAYRVCTZUJTMIN-LJQANCHMSA-N 2 1 333.520 2.635 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)CC2 ZINC001482243321 1098449732 /nfs/dbraw/zinc/44/97/32/1098449732.db2.gz FSAMKMNFSQCLOK-GBESFXJTSA-N 2 1 347.547 2.996 10 30 EFEEMP C=CC[NH2+]CCC1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001269907666 1098514456 /nfs/dbraw/zinc/51/44/56/1098514456.db2.gz FKCLOXVSWPOCGA-IBGZPJMESA-N 2 1 339.499 2.603 10 30 EFEEMP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001269989734 1098574103 /nfs/dbraw/zinc/57/41/03/1098574103.db2.gz WLADZVXEEHLYHK-IEBWSBKVSA-N 2 1 329.488 2.664 10 30 EFEEMP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001269989734 1098574112 /nfs/dbraw/zinc/57/41/12/1098574112.db2.gz WLADZVXEEHLYHK-IEBWSBKVSA-N 2 1 329.488 2.664 10 30 EFEEMP C=CCC[C@@H](C)[NH2+]CCC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001267914485 1098605945 /nfs/dbraw/zinc/60/59/45/1098605945.db2.gz HUNJIVVHRNCMEX-ZWKOTPCHSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCC[NH2+]CCC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001267916081 1098631410 /nfs/dbraw/zinc/63/14/10/1098631410.db2.gz UXKZMZXQLMNING-UHFFFAOYSA-N 2 1 332.492 2.801 10 30 EFEEMP C=CCCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001270070971 1098660000 /nfs/dbraw/zinc/66/00/00/1098660000.db2.gz IANAFJURKREUCB-IBGZPJMESA-N 2 1 329.488 2.843 10 30 EFEEMP C=CCCC[NH+]1CCC(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001270138222 1098733805 /nfs/dbraw/zinc/73/38/05/1098733805.db2.gz OTFWJVGLSARDDL-HKUYNNGSSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001267750364 1098776842 /nfs/dbraw/zinc/77/68/42/1098776842.db2.gz BKZBFOGQEQHGQH-MOPGFXCFSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001267750364 1098776852 /nfs/dbraw/zinc/77/68/52/1098776852.db2.gz BKZBFOGQEQHGQH-MOPGFXCFSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001267750364 1098776862 /nfs/dbraw/zinc/77/68/62/1098776862.db2.gz BKZBFOGQEQHGQH-MOPGFXCFSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001267750364 1098776874 /nfs/dbraw/zinc/77/68/74/1098776874.db2.gz BKZBFOGQEQHGQH-MOPGFXCFSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001270254620 1098869190 /nfs/dbraw/zinc/86/91/90/1098869190.db2.gz WNEIFJAXZNCNRO-MOPGFXCFSA-N 2 1 333.520 2.940 10 30 EFEEMP C#CCN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC[NH+](CC)CC1 ZINC001270315006 1098949243 /nfs/dbraw/zinc/94/92/43/1098949243.db2.gz CQIZLVWLUYKLLQ-SFHVURJKSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CCN(C(=O)Cn1c[nH+]cc1C)C1CC[NH+](CCCCCC)CC1 ZINC001270326492 1098963146 /nfs/dbraw/zinc/96/31/46/1098963146.db2.gz YHMDQWWWUIYHBR-UHFFFAOYSA-N 2 1 344.503 2.698 10 30 EFEEMP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)CC[N@H+](C)CCC)CC2 ZINC001270339441 1098985217 /nfs/dbraw/zinc/98/52/17/1098985217.db2.gz GJSGKJLRARVFKS-UHFFFAOYSA-N 2 1 335.536 2.999 10 30 EFEEMP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)CCC)CC2 ZINC001270339441 1098985227 /nfs/dbraw/zinc/98/52/27/1098985227.db2.gz GJSGKJLRARVFKS-UHFFFAOYSA-N 2 1 335.536 2.999 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)CCC)CC2 ZINC001270339441 1098985235 /nfs/dbraw/zinc/98/52/35/1098985235.db2.gz GJSGKJLRARVFKS-UHFFFAOYSA-N 2 1 335.536 2.999 10 30 EFEEMP C=CCCC[N@@H+]1CCC2(C1)CCN(C(=O)CCCC[NH+](C)C)CC2 ZINC001267974365 1099038751 /nfs/dbraw/zinc/03/87/51/1099038751.db2.gz WDFZKFGUMGBONG-UHFFFAOYSA-N 2 1 335.536 2.999 10 30 EFEEMP C=C(C[NH+](C)C)C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001615358159 1099156303 /nfs/dbraw/zinc/15/63/03/1099156303.db2.gz UEIZXGLDGLEOQF-GOSISDBHSA-N 2 1 349.906 2.929 10 30 EFEEMP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001481335095 1099350766 /nfs/dbraw/zinc/35/07/66/1099350766.db2.gz ONVWJLCVLQGJKV-FXAWDEMLSA-N 2 1 345.531 2.633 10 30 EFEEMP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001270778096 1099552647 /nfs/dbraw/zinc/55/26/47/1099552647.db2.gz FCIQCUDSDBUDFY-CTNGQTDRSA-N 2 1 345.531 2.635 10 30 EFEEMP C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001481402239 1099632609 /nfs/dbraw/zinc/63/26/09/1099632609.db2.gz UHJHIUBXTCRDBN-QGZVFWFLSA-N 2 1 326.444 2.755 10 30 EFEEMP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[C@H]3CCCC[N@H+]31)CC2 ZINC001270851196 1099718921 /nfs/dbraw/zinc/71/89/21/1099718921.db2.gz JCHMDAKCBVFTOB-RTBURBONSA-N 2 1 345.531 2.894 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001481437902 1099818931 /nfs/dbraw/zinc/81/89/31/1099818931.db2.gz IRCLJLNZVDMNGS-GOSISDBHSA-N 2 1 333.520 2.657 10 30 EFEEMP CC#CC[NH+]1CCC(C)(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001270878835 1099990114 /nfs/dbraw/zinc/99/01/14/1099990114.db2.gz DCCXALOMYVFHGJ-KRWDZBQOSA-N 2 1 344.503 2.638 10 30 EFEEMP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C1CCCCC1 ZINC001482408839 1100054796 /nfs/dbraw/zinc/05/47/96/1100054796.db2.gz HQUWRUOBIRIQIE-HKUYNNGSSA-N 2 1 344.503 2.595 10 30 EFEEMP C#CCC[NH+]1CCC(C)(CNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001270899087 1100170739 /nfs/dbraw/zinc/17/07/39/1100170739.db2.gz CTFNHLCMYKDVQG-UHFFFAOYSA-N 2 1 347.547 2.883 10 30 EFEEMP C=C(C[NH+](C)C)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001629184176 1100177778 /nfs/dbraw/zinc/17/77/78/1100177778.db2.gz AXRJCVCVSICHPX-NRFANRHFSA-N 2 1 341.499 2.619 10 30 EFEEMP C=CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001270906397 1100219958 /nfs/dbraw/zinc/21/99/58/1100219958.db2.gz JSKGTJLQRNBSQJ-QGZVFWFLSA-N 2 1 344.503 2.548 10 30 EFEEMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001271016429 1100377096 /nfs/dbraw/zinc/37/70/96/1100377096.db2.gz GQYRZLFOVKMQHW-HXUWFJFHSA-N 2 1 329.488 2.766 10 30 EFEEMP C=C(C[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001632591371 1100486382 /nfs/dbraw/zinc/48/63/82/1100486382.db2.gz HEXLBYLAGBARCF-SLFFLAALSA-N 2 1 341.499 2.521 10 30 EFEEMP C=C(C[NH+](C)C)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001633334323 1100536832 /nfs/dbraw/zinc/53/68/32/1100536832.db2.gz AWZJMVOAIIOPSF-UHFFFAOYSA-N 2 1 341.499 2.619 10 30 EFEEMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001266598107 1101335801 /nfs/dbraw/zinc/33/58/01/1101335801.db2.gz MAEWHMJPBYVLKP-MTNOOBJLSA-N 2 1 333.520 2.985 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@H](NC(=O)Cn1c[nH+]cc1C)C1CCCCC1 ZINC001271339901 1101404099 /nfs/dbraw/zinc/40/40/99/1101404099.db2.gz GTPBBNCOVNTBLS-GOSISDBHSA-N 2 1 332.492 2.812 10 30 EFEEMP CCCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001266342844 1101613610 /nfs/dbraw/zinc/61/36/10/1101613610.db2.gz UREMDLZKJBMHBQ-ROUUACIJSA-N 2 1 346.519 2.915 10 30 EFEEMP CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001266342844 1101613620 /nfs/dbraw/zinc/61/36/20/1101613620.db2.gz UREMDLZKJBMHBQ-ROUUACIJSA-N 2 1 346.519 2.915 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC/C=C/CC ZINC001266650170 1101662073 /nfs/dbraw/zinc/66/20/73/1101662073.db2.gz KDCPPKSEMMWVOF-AQBSFNMHSA-N 2 1 343.515 2.552 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC/C=C/CC ZINC001266650170 1101662077 /nfs/dbraw/zinc/66/20/77/1101662077.db2.gz KDCPPKSEMMWVOF-AQBSFNMHSA-N 2 1 343.515 2.552 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC/C=C/CC ZINC001266650170 1101662087 /nfs/dbraw/zinc/66/20/87/1101662087.db2.gz KDCPPKSEMMWVOF-AQBSFNMHSA-N 2 1 343.515 2.552 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC/C=C/CC ZINC001266650170 1101662094 /nfs/dbraw/zinc/66/20/94/1101662094.db2.gz KDCPPKSEMMWVOF-AQBSFNMHSA-N 2 1 343.515 2.552 10 30 EFEEMP C#CC[NH2+][C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)c1ccccc1CC ZINC001271445004 1101737034 /nfs/dbraw/zinc/73/70/34/1101737034.db2.gz DOQWMBJFWOZWOV-LJQANCHMSA-N 2 1 343.515 2.607 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001671308662 1101737238 /nfs/dbraw/zinc/73/72/38/1101737238.db2.gz LFPDUTLFMUASNM-RBUKOAKNSA-N 2 1 333.520 2.940 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001671308661 1101737837 /nfs/dbraw/zinc/73/78/37/1101737837.db2.gz LFPDUTLFMUASNM-OALUTQOASA-N 2 1 333.520 2.940 10 30 EFEEMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001266412493 1101937625 /nfs/dbraw/zinc/93/76/25/1101937625.db2.gz UUOIASQUZLKYRT-MOPGFXCFSA-N 2 1 333.520 2.844 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001656176305 1101987715 /nfs/dbraw/zinc/98/77/15/1101987715.db2.gz RMQLKXXAJSJEFM-NZSAHSFTSA-N 2 1 329.488 2.740 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001656176306 1101987755 /nfs/dbraw/zinc/98/77/55/1101987755.db2.gz RMQLKXXAJSJEFM-UHOSZYNNSA-N 2 1 329.488 2.740 10 30 EFEEMP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C1CC1 ZINC001266426919 1102003699 /nfs/dbraw/zinc/00/36/99/1102003699.db2.gz RGMXOYUSXWWEDK-MOPGFXCFSA-N 2 1 333.520 2.844 10 30 EFEEMP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001271534953 1102079800 /nfs/dbraw/zinc/07/98/00/1102079800.db2.gz RIMWLEGKFSWZEP-QUCCMNQESA-N 2 1 345.531 2.635 10 30 EFEEMP C#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001656441433 1102083059 /nfs/dbraw/zinc/08/30/59/1102083059.db2.gz LLLMDUZTGPGVCR-ICSRJNTNSA-N 2 1 347.547 2.881 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3c[nH+]cc3C)C(C)(C)[C@@H]21 ZINC001656650640 1102150402 /nfs/dbraw/zinc/15/04/02/1102150402.db2.gz IPARZGGNFJHWBY-BHIYHBOVSA-N 2 1 344.503 2.763 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3c[nH+]cc3C)C(C)(C)[C@@H]21 ZINC001656650640 1102150411 /nfs/dbraw/zinc/15/04/11/1102150411.db2.gz IPARZGGNFJHWBY-BHIYHBOVSA-N 2 1 344.503 2.763 10 30 EFEEMP C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001266459251 1102166353 /nfs/dbraw/zinc/16/63/53/1102166353.db2.gz MNYDTLZGALWDQG-RTBURBONSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[NH+](C)C[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001266459251 1102166357 /nfs/dbraw/zinc/16/63/57/1102166357.db2.gz MNYDTLZGALWDQG-RTBURBONSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[NH+](C)C[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001266459251 1102166363 /nfs/dbraw/zinc/16/63/63/1102166363.db2.gz MNYDTLZGALWDQG-RTBURBONSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@@H](C)[NH2+]CC[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001271607655 1102170845 /nfs/dbraw/zinc/17/08/45/1102170845.db2.gz GUTHUUFSRUGSKF-SJLPKXTDSA-N 2 1 332.492 2.907 10 30 EFEEMP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001271615224 1102179250 /nfs/dbraw/zinc/17/92/50/1102179250.db2.gz GIWZUFWNAGLYGY-HXUWFJFHSA-N 2 1 341.499 2.503 10 30 EFEEMP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001271615224 1102179259 /nfs/dbraw/zinc/17/92/59/1102179259.db2.gz GIWZUFWNAGLYGY-HXUWFJFHSA-N 2 1 341.499 2.503 10 30 EFEEMP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001266466857 1102191178 /nfs/dbraw/zinc/19/11/78/1102191178.db2.gz XIWQYRBREAGZDQ-ROUUACIJSA-N 2 1 344.503 2.500 10 30 EFEEMP C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001266466857 1102191179 /nfs/dbraw/zinc/19/11/79/1102191179.db2.gz XIWQYRBREAGZDQ-ROUUACIJSA-N 2 1 344.503 2.500 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC001656821847 1102214758 /nfs/dbraw/zinc/21/47/58/1102214758.db2.gz GRTNATIATJFTMR-MOPGFXCFSA-N 2 1 344.503 2.718 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC001656821847 1102214765 /nfs/dbraw/zinc/21/47/65/1102214765.db2.gz GRTNATIATJFTMR-MOPGFXCFSA-N 2 1 344.503 2.718 10 30 EFEEMP C=CCC[NH2+][C@H]1CCCCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001656905429 1102253927 /nfs/dbraw/zinc/25/39/27/1102253927.db2.gz XLWLJZJBAJLBBF-KRWDZBQOSA-N 2 1 332.492 2.943 10 30 EFEEMP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001266840950 1102402449 /nfs/dbraw/zinc/40/24/49/1102402449.db2.gz HDSLYOROGQVSLU-SXLOBPIMSA-N 2 1 343.515 2.735 10 30 EFEEMP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001266889123 1102600704 /nfs/dbraw/zinc/60/07/04/1102600704.db2.gz IBCYBMLAOUEKDR-RTBURBONSA-N 2 1 333.520 2.587 10 30 EFEEMP CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001266889119 1102600757 /nfs/dbraw/zinc/60/07/57/1102600757.db2.gz 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AKZXIHDDGINDQY-OKZBNKHCSA-N 2 1 344.503 2.751 10 30 EFEEMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001660859369 1103003372 /nfs/dbraw/zinc/00/33/72/1103003372.db2.gz LQBHDQOOWMOVAB-RBUKOAKNSA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001660859369 1103003384 /nfs/dbraw/zinc/00/33/84/1103003384.db2.gz LQBHDQOOWMOVAB-RBUKOAKNSA-N 2 1 329.488 2.836 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](C[C@@H](C)CC(C)C)C2)CC1 ZINC001660859789 1103006598 /nfs/dbraw/zinc/00/65/98/1103006598.db2.gz WPTIQEGIMMGYCJ-ICSRJNTNSA-N 2 1 347.547 2.594 10 30 EFEEMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001271900772 1103007115 /nfs/dbraw/zinc/00/71/15/1103007115.db2.gz KJWOGXLKKLEQLC-QFBILLFUSA-N 2 1 341.515 2.896 10 30 EFEEMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C(C)C ZINC001271904003 1103030659 /nfs/dbraw/zinc/03/06/59/1103030659.db2.gz WRLHWHIRRBQQAO-AABGKKOBSA-N 2 1 343.515 2.638 10 30 EFEEMP C=CCCCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001661057858 1103098027 /nfs/dbraw/zinc/09/80/27/1103098027.db2.gz IMGBVJBKWFFTOU-QZTJIDSGSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001661069492 1103112060 /nfs/dbraw/zinc/11/20/60/1103112060.db2.gz XFIWRCMCIYRBBZ-GOSISDBHSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCCC[NH+]1CCC(N(CCC)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001661094995 1103127583 /nfs/dbraw/zinc/12/75/83/1103127583.db2.gz UZDYKIBXJHXFEM-GOSISDBHSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001661213597 1103178640 /nfs/dbraw/zinc/17/86/40/1103178640.db2.gz VEKNKLXKXIKVJM-MOPGFXCFSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001661213597 1103178650 /nfs/dbraw/zinc/17/86/50/1103178650.db2.gz VEKNKLXKXIKVJM-MOPGFXCFSA-N 2 1 335.536 2.996 10 30 EFEEMP 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ZINC001661720115 1103382465 /nfs/dbraw/zinc/38/24/65/1103382465.db2.gz ZLLZEELERXHPLE-DLBZAZTESA-N 2 1 332.492 2.801 10 30 EFEEMP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001661818182 1103444792 /nfs/dbraw/zinc/44/47/92/1103444792.db2.gz KIXXNXQDEABOKG-LPHOPBHVSA-N 2 1 339.499 2.603 10 30 EFEEMP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001409483894 1103468659 /nfs/dbraw/zinc/46/86/59/1103468659.db2.gz IUXHMAORIJPGAK-HOTGVXAUSA-N 2 1 341.927 2.830 10 30 EFEEMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001661978660 1103533135 /nfs/dbraw/zinc/53/31/35/1103533135.db2.gz WMGMSAOIJIUDLZ-UXHICEINSA-N 2 1 345.531 2.731 10 30 EFEEMP C#CCC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001661997835 1103556532 /nfs/dbraw/zinc/55/65/32/1103556532.db2.gz VSBZCVXKMRVXRO-RTBURBONSA-N 2 1 347.547 2.881 10 30 EFEEMP C#CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001661997835 1103556542 /nfs/dbraw/zinc/55/65/42/1103556542.db2.gz VSBZCVXKMRVXRO-RTBURBONSA-N 2 1 347.547 2.881 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001661997835 1103556549 /nfs/dbraw/zinc/55/65/49/1103556549.db2.gz VSBZCVXKMRVXRO-RTBURBONSA-N 2 1 347.547 2.881 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001663109552 1103985239 /nfs/dbraw/zinc/98/52/39/1103985239.db2.gz NEIGSPHCKHEWPQ-QGZVFWFLSA-N 2 1 332.492 2.943 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001663109552 1103985245 /nfs/dbraw/zinc/98/52/45/1103985245.db2.gz NEIGSPHCKHEWPQ-QGZVFWFLSA-N 2 1 332.492 2.943 10 30 EFEEMP C=CCCCCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001663498561 1104118036 /nfs/dbraw/zinc/11/80/36/1104118036.db2.gz UFHZODVZVWXEBL-OALUTQOASA-N 2 1 333.520 2.655 10 30 EFEEMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001663528597 1104134856 /nfs/dbraw/zinc/13/48/56/1104134856.db2.gz RFEMBDDNZBXKRR-LPHOPBHVSA-N 2 1 339.499 2.746 10 30 EFEEMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001663528597 1104134863 /nfs/dbraw/zinc/13/48/63/1104134863.db2.gz RFEMBDDNZBXKRR-LPHOPBHVSA-N 2 1 339.499 2.746 10 30 EFEEMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001663528597 1104134868 /nfs/dbraw/zinc/13/48/68/1104134868.db2.gz RFEMBDDNZBXKRR-LPHOPBHVSA-N 2 1 339.499 2.746 10 30 EFEEMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)CCCCCC ZINC001272044761 1104279091 /nfs/dbraw/zinc/27/90/91/1104279091.db2.gz SDRNBSQMSVBMPG-RBUKOAKNSA-N 2 1 333.520 2.587 10 30 EFEEMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CCCCCC ZINC001272044761 1104279096 /nfs/dbraw/zinc/27/90/96/1104279096.db2.gz SDRNBSQMSVBMPG-RBUKOAKNSA-N 2 1 333.520 2.587 10 30 EFEEMP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CCCCCC ZINC001272044761 1104279099 /nfs/dbraw/zinc/27/90/99/1104279099.db2.gz SDRNBSQMSVBMPG-RBUKOAKNSA-N 2 1 333.520 2.587 10 30 EFEEMP C=CCC[C@@H](C)[N@H+](C)CCN(C)C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1 ZINC001482597553 1104358710 /nfs/dbraw/zinc/35/87/10/1104358710.db2.gz FVCVBAMJMUPQDM-CRAIPNDOSA-N 2 1 347.507 2.535 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1 ZINC001482597553 1104358717 /nfs/dbraw/zinc/35/87/17/1104358717.db2.gz FVCVBAMJMUPQDM-CRAIPNDOSA-N 2 1 347.507 2.535 10 30 EFEEMP C=CCC[C@@H](C)[NH+](C)CCN(C)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001482597553 1104358730 /nfs/dbraw/zinc/35/87/30/1104358730.db2.gz FVCVBAMJMUPQDM-CRAIPNDOSA-N 2 1 347.507 2.535 10 30 EFEEMP C=CCC[C@@H](C)[NH+](C)CCN(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001482597553 1104358742 /nfs/dbraw/zinc/35/87/42/1104358742.db2.gz FVCVBAMJMUPQDM-CRAIPNDOSA-N 2 1 347.507 2.535 10 30 EFEEMP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001664452943 1104401706 /nfs/dbraw/zinc/40/17/06/1104401706.db2.gz YQWDGVRHUZMSOC-SCTDSRPQSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001664683683 1104501537 /nfs/dbraw/zinc/50/15/37/1104501537.db2.gz OEJXGNMQGFPWMS-IBGZPJMESA-N 2 1 329.488 2.861 10 30 EFEEMP C=CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001664716637 1104518464 /nfs/dbraw/zinc/51/84/64/1104518464.db2.gz GANPZFMVHIHGQQ-MSOLQXFVSA-N 2 1 333.520 2.655 10 30 EFEEMP C=CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001664716637 1104518468 /nfs/dbraw/zinc/51/84/68/1104518468.db2.gz GANPZFMVHIHGQQ-MSOLQXFVSA-N 2 1 333.520 2.655 10 30 EFEEMP C=CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001664716637 1104518478 /nfs/dbraw/zinc/51/84/78/1104518478.db2.gz GANPZFMVHIHGQQ-MSOLQXFVSA-N 2 1 333.520 2.655 10 30 EFEEMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001664736626 1104528863 /nfs/dbraw/zinc/52/88/63/1104528863.db2.gz ZTBJUYVIODMIIS-QUCCMNQESA-N 2 1 345.531 2.635 10 30 EFEEMP C#CCC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001664736626 1104528873 /nfs/dbraw/zinc/52/88/73/1104528873.db2.gz ZTBJUYVIODMIIS-QUCCMNQESA-N 2 1 345.531 2.635 10 30 EFEEMP C#CCC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001664736626 1104528882 /nfs/dbraw/zinc/52/88/82/1104528882.db2.gz ZTBJUYVIODMIIS-QUCCMNQESA-N 2 1 345.531 2.635 10 30 EFEEMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001664736624 1104529086 /nfs/dbraw/zinc/52/90/86/1104529086.db2.gz ZTBJUYVIODMIIS-AZUAARDMSA-N 2 1 345.531 2.635 10 30 EFEEMP C#CCC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001664736624 1104529092 /nfs/dbraw/zinc/52/90/92/1104529092.db2.gz ZTBJUYVIODMIIS-AZUAARDMSA-N 2 1 345.531 2.635 10 30 EFEEMP C#CCC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001664736624 1104529102 /nfs/dbraw/zinc/52/91/02/1104529102.db2.gz ZTBJUYVIODMIIS-AZUAARDMSA-N 2 1 345.531 2.635 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001664876492 1104589219 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C=C(C)C[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001667414018 1105144277 /nfs/dbraw/zinc/14/42/77/1105144277.db2.gz VJGZWTACOCYMCD-IAGOWNOFSA-N 2 1 330.476 2.650 10 30 EFEEMP C=C(C)C[N@@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001667414018 1105144282 /nfs/dbraw/zinc/14/42/82/1105144282.db2.gz VJGZWTACOCYMCD-IAGOWNOFSA-N 2 1 330.476 2.650 10 30 EFEEMP C#CCC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001667414153 1105144446 /nfs/dbraw/zinc/14/44/46/1105144446.db2.gz YYPUOVHRDRNPOD-FQEVSTJZSA-N 2 1 347.547 2.691 10 30 EFEEMP C#CCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001667414153 1105144448 /nfs/dbraw/zinc/14/44/48/1105144448.db2.gz YYPUOVHRDRNPOD-FQEVSTJZSA-N 2 1 347.547 2.691 10 30 EFEEMP C#CCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001667414153 1105144450 /nfs/dbraw/zinc/14/44/50/1105144450.db2.gz YYPUOVHRDRNPOD-FQEVSTJZSA-N 2 1 347.547 2.691 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001669905253 1105543784 /nfs/dbraw/zinc/54/37/84/1105543784.db2.gz RMHNJOQTVLIOEN-HZPDHXFCSA-N 2 1 341.459 2.672 10 30 EFEEMP C=CCC[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001669905253 1105543790 /nfs/dbraw/zinc/54/37/90/1105543790.db2.gz RMHNJOQTVLIOEN-HZPDHXFCSA-N 2 1 341.459 2.672 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC001669930029 1105547178 /nfs/dbraw/zinc/54/71/78/1105547178.db2.gz HICYABLJAJVGDU-MSOLQXFVSA-N 2 1 341.499 2.529 10 30 EFEEMP C=CCC[C@@H](C)[NH2+]CCCN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001670250026 1105604318 /nfs/dbraw/zinc/60/43/18/1105604318.db2.gz RAIJJHPCGMWUHH-VQIMIIECSA-N 2 1 341.515 2.992 10 30 EFEEMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](CC(CC)CC)CC1 ZINC001671477344 1105642623 /nfs/dbraw/zinc/64/26/23/1105642623.db2.gz LJNVECOQIQJPRG-YLJYHZDGSA-N 2 1 347.547 2.689 10 30 EFEEMP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccc2ccccc2c1 ZINC001671512416 1105649016 /nfs/dbraw/zinc/64/90/16/1105649016.db2.gz HMLYSJVJLQJHJX-RTWAWAEBSA-N 2 1 349.478 2.562 10 30 EFEEMP C=CC[NH2+]C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C1CCCC1 ZINC001671569539 1105660902 /nfs/dbraw/zinc/66/09/02/1105660902.db2.gz HXSSZWBSYCJFFB-RBUKOAKNSA-N 2 1 329.488 2.740 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCC[NH+](C)C)C2 ZINC001671599071 1105667633 /nfs/dbraw/zinc/66/76/33/1105667633.db2.gz TYLDOICVEZDBIU-FQEVSTJZSA-N 2 1 335.536 2.999 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@](C)(CNC(=O)Cc2[nH]cnc2C)C1 ZINC001671916404 1105730383 /nfs/dbraw/zinc/73/03/83/1105730383.db2.gz KYMJXTRRPZHFOD-DNVCBOLYSA-N 2 1 332.492 2.834 10 30 EFEEMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1CC ZINC001672183800 1105767977 /nfs/dbraw/zinc/76/79/77/1105767977.db2.gz QYZXBMCOTGKFBJ-UYAOXDASSA-N 2 1 343.515 2.914 10 30 EFEEMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001672355718 1105812025 /nfs/dbraw/zinc/81/20/25/1105812025.db2.gz CRZFHEXOQDAIDY-REPLKXPHSA-N 2 1 333.520 2.654 10 30 EFEEMP C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C[C@H]2C1 ZINC001672420067 1105829256 /nfs/dbraw/zinc/82/92/56/1105829256.db2.gz VQGBZGFTADWBKR-XMTFNYHQSA-N 2 1 342.487 2.650 10 30 EFEEMP C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C[C@H]2C1 ZINC001672420067 1105829263 /nfs/dbraw/zinc/82/92/63/1105829263.db2.gz VQGBZGFTADWBKR-XMTFNYHQSA-N 2 1 342.487 2.650 10 30 EFEEMP C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C[C@H]2C1 ZINC001672420067 1105829270 /nfs/dbraw/zinc/82/92/70/1105829270.db2.gz VQGBZGFTADWBKR-XMTFNYHQSA-N 2 1 342.487 2.650 10 30 EFEEMP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001672557937 1105871505 /nfs/dbraw/zinc/87/15/05/1105871505.db2.gz HVOONMJOZXKOLL-RBUKOAKNSA-N 2 1 347.547 2.997 10 30 EFEEMP C#CC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001672929350 1105940539 /nfs/dbraw/zinc/94/05/39/1105940539.db2.gz FBIGINBDLOTDEV-FQEVSTJZSA-N 2 1 341.499 2.631 10 30 EFEEMP C#CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001672929350 1105940541 /nfs/dbraw/zinc/94/05/41/1105940541.db2.gz FBIGINBDLOTDEV-FQEVSTJZSA-N 2 1 341.499 2.631 10 30 EFEEMP C#CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001672929350 1105940547 /nfs/dbraw/zinc/94/05/47/1105940547.db2.gz FBIGINBDLOTDEV-FQEVSTJZSA-N 2 1 341.499 2.631 10 30 EFEEMP C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001672929925 1105940664 /nfs/dbraw/zinc/94/06/64/1105940664.db2.gz VTKYMWUOBULJNY-IBGZPJMESA-N 2 1 329.488 2.795 10 30 EFEEMP C=C(C)C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001672929925 1105940669 /nfs/dbraw/zinc/94/06/69/1105940669.db2.gz VTKYMWUOBULJNY-IBGZPJMESA-N 2 1 329.488 2.795 10 30 EFEEMP C=C(C)C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001672929925 1105940673 /nfs/dbraw/zinc/94/06/73/1105940673.db2.gz VTKYMWUOBULJNY-IBGZPJMESA-N 2 1 329.488 2.795 10 30 EFEEMP CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)cc1 ZINC001672938008 1105944702 /nfs/dbraw/zinc/94/47/02/1105944702.db2.gz OUYQNRYCCHDDCP-XLIONFOSSA-N 2 1 341.499 2.851 10 30 EFEEMP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001672965852 1105950266 /nfs/dbraw/zinc/95/02/66/1105950266.db2.gz PXMOTCHKNWTBQH-ZHALLVOQSA-N 2 1 333.520 2.844 10 30 EFEEMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001672982663 1105953624 /nfs/dbraw/zinc/95/36/24/1105953624.db2.gz JGZSOLYGXKWUEF-GUDVDZBRSA-N 2 1 333.520 2.537 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001673496360 1106034507 /nfs/dbraw/zinc/03/45/07/1106034507.db2.gz KUZLZGFEIZOZLW-VQTJNVASSA-N 2 1 347.547 2.835 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001674429211 1106187178 /nfs/dbraw/zinc/18/71/78/1106187178.db2.gz AEAOJJKJUQOUSH-UYAOXDASSA-N 2 1 338.455 2.530 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CCCC(C)(C)C ZINC001674463732 1106196656 /nfs/dbraw/zinc/19/66/56/1106196656.db2.gz RUJKPCYQIHSBTD-MOPGFXCFSA-N 2 1 347.547 2.833 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CCCC(C)(C)C ZINC001674463732 1106196657 /nfs/dbraw/zinc/19/66/57/1106196657.db2.gz RUJKPCYQIHSBTD-MOPGFXCFSA-N 2 1 347.547 2.833 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CCCC(C)(C)C ZINC001674463732 1106196658 /nfs/dbraw/zinc/19/66/58/1106196658.db2.gz RUJKPCYQIHSBTD-MOPGFXCFSA-N 2 1 347.547 2.833 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CCCC(C)(C)C ZINC001674463732 1106196659 /nfs/dbraw/zinc/19/66/59/1106196659.db2.gz RUJKPCYQIHSBTD-MOPGFXCFSA-N 2 1 347.547 2.833 10 30 EFEEMP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001674480697 1106200961 /nfs/dbraw/zinc/20/09/61/1106200961.db2.gz KFKYXNVAJWXFBD-IEBWSBKVSA-N 2 1 344.503 2.643 10 30 EFEEMP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001674480697 1106200964 /nfs/dbraw/zinc/20/09/64/1106200964.db2.gz KFKYXNVAJWXFBD-IEBWSBKVSA-N 2 1 344.503 2.643 10 30 EFEEMP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001674491915 1106204313 /nfs/dbraw/zinc/20/43/13/1106204313.db2.gz SXHLEBQSLZUDCE-UXHICEINSA-N 2 1 341.499 2.626 10 30 EFEEMP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001674491915 1106204315 /nfs/dbraw/zinc/20/43/15/1106204315.db2.gz SXHLEBQSLZUDCE-UXHICEINSA-N 2 1 341.499 2.626 10 30 EFEEMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001674491915 1106204320 /nfs/dbraw/zinc/20/43/20/1106204320.db2.gz SXHLEBQSLZUDCE-UXHICEINSA-N 2 1 341.499 2.626 10 30 EFEEMP C=CCCC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001674551755 1106215456 /nfs/dbraw/zinc/21/54/56/1106215456.db2.gz XGOWMVRXGPUJKD-TVPLGVNVSA-N 2 1 333.520 2.844 10 30 EFEEMP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001409264739 1106229124 /nfs/dbraw/zinc/22/91/24/1106229124.db2.gz LUWWNGPWHPWHLF-VMBOVVBDSA-N 2 1 339.911 2.630 10 30 EFEEMP CC[C@H](C(=O)NC[C@H](C)[N@H+](C)CC#Cc1ccccc1)[NH+](CC)CC ZINC001674997160 1106288646 /nfs/dbraw/zinc/28/86/46/1106288646.db2.gz POZHHMBMZYFCEQ-AZUAARDMSA-N 2 1 343.515 2.595 10 30 EFEEMP CC[C@H](C(=O)NC[C@H](C)[N@@H+](C)CC#Cc1ccccc1)[NH+](CC)CC ZINC001674997160 1106288649 /nfs/dbraw/zinc/28/86/49/1106288649.db2.gz POZHHMBMZYFCEQ-AZUAARDMSA-N 2 1 343.515 2.595 10 30 EFEEMP C=CCCCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001675526970 1106380083 /nfs/dbraw/zinc/38/00/83/1106380083.db2.gz HFFMBNSJDVBDIB-AKHDSKFASA-N 2 1 333.520 2.511 10 30 EFEEMP C=CCCCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001675526970 1106380087 /nfs/dbraw/zinc/38/00/87/1106380087.db2.gz HFFMBNSJDVBDIB-AKHDSKFASA-N 2 1 333.520 2.511 10 30 EFEEMP C=CCCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001675526970 1106380091 /nfs/dbraw/zinc/38/00/91/1106380091.db2.gz HFFMBNSJDVBDIB-AKHDSKFASA-N 2 1 333.520 2.511 10 30 EFEEMP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001675793028 1106423725 /nfs/dbraw/zinc/42/37/25/1106423725.db2.gz VZDMUVGNWILHOF-BXWFABGCSA-N 2 1 339.499 2.650 10 30 EFEEMP C=CCCCCC[N@H+](C)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001676078826 1106481410 /nfs/dbraw/zinc/48/14/10/1106481410.db2.gz BSPIIZQBTANIAN-GOSISDBHSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCCCC[NH+](C)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001676078826 1106481412 /nfs/dbraw/zinc/48/14/12/1106481412.db2.gz BSPIIZQBTANIAN-GOSISDBHSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCCCC[NH+](C)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001676078826 1106481417 /nfs/dbraw/zinc/48/14/17/1106481417.db2.gz BSPIIZQBTANIAN-GOSISDBHSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001676249111 1106505868 /nfs/dbraw/zinc/50/58/68/1106505868.db2.gz ILZRRCDAUYFPGU-APWZRJJASA-N 2 1 339.499 2.602 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001676958780 1106636081 /nfs/dbraw/zinc/63/60/81/1106636081.db2.gz NNWVHCYHYRBTNX-DLBZAZTESA-N 2 1 332.492 2.847 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC/C=C\CCC)C(C)(C)C1 ZINC001677003802 1106647299 /nfs/dbraw/zinc/64/72/99/1106647299.db2.gz LITBNLLAJDUVPS-VXOKQSJXSA-N 2 1 345.531 2.657 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC/C=C\CCC)C(C)(C)C1 ZINC001677003802 1106647300 /nfs/dbraw/zinc/64/73/00/1106647300.db2.gz LITBNLLAJDUVPS-VXOKQSJXSA-N 2 1 345.531 2.657 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC/C=C/CCC)C(C)(C)C1 ZINC001677003801 1106647302 /nfs/dbraw/zinc/64/73/02/1106647302.db2.gz LITBNLLAJDUVPS-VANUVFSVSA-N 2 1 345.531 2.657 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC/C=C/CCC)C(C)(C)C1 ZINC001677003801 1106647303 /nfs/dbraw/zinc/64/73/03/1106647303.db2.gz LITBNLLAJDUVPS-VANUVFSVSA-N 2 1 345.531 2.657 10 30 EFEEMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1(C)C ZINC001677032840 1106653699 /nfs/dbraw/zinc/65/36/99/1106653699.db2.gz MHASAVNJZFFUTL-RTBURBONSA-N 2 1 341.499 2.529 10 30 EFEEMP C=CCCC[NH2+]C[C@H](NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C(C)(C)C ZINC001677276351 1106688807 /nfs/dbraw/zinc/68/88/07/1106688807.db2.gz BASNPDCUHUGNRJ-AEFFLSMTSA-N 2 1 346.519 2.841 10 30 EFEEMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001677342103 1106701202 /nfs/dbraw/zinc/70/12/02/1106701202.db2.gz NZJPKHWHDPRGTO-YLJYHZDGSA-N 2 1 341.499 2.529 10 30 EFEEMP C=CCC[C@@H](C)[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)c(F)c1 ZINC001677648256 1106810484 /nfs/dbraw/zinc/81/04/84/1106810484.db2.gz JRITUPAVAKSDGQ-CRAIPNDOSA-N 2 1 347.478 2.838 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001483677569 1107433647 /nfs/dbraw/zinc/43/36/47/1107433647.db2.gz UZKGNBZZHPTVGT-ZWKOTPCHSA-N 2 1 344.503 2.691 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001483677569 1107433653 /nfs/dbraw/zinc/43/36/53/1107433653.db2.gz UZKGNBZZHPTVGT-ZWKOTPCHSA-N 2 1 344.503 2.691 10 30 EFEEMP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001409289298 1109389214 /nfs/dbraw/zinc/38/92/14/1109389214.db2.gz QIUMKUNSDFGDKM-VMWRSERWSA-N 2 1 349.906 2.916 10 30 EFEEMP C#CC[N@H+](C)Cc1ccccc1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001272675787 1112402467 /nfs/dbraw/zinc/40/24/67/1112402467.db2.gz RBUGSQXUAJZFGT-UHFFFAOYSA-N 2 1 349.478 2.743 10 30 EFEEMP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001483799245 1112458147 /nfs/dbraw/zinc/45/81/47/1112458147.db2.gz NTLTWXITSVJYLB-FQEVSTJZSA-N 2 1 347.547 2.999 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)CCC)C1 ZINC001483802798 1112466352 /nfs/dbraw/zinc/46/63/52/1112466352.db2.gz VAMMEOVDWQFDOB-IRXDYDNUSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001483802798 1112466353 /nfs/dbraw/zinc/46/63/53/1112466353.db2.gz VAMMEOVDWQFDOB-IRXDYDNUSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001483802798 1112466354 /nfs/dbraw/zinc/46/63/54/1112466354.db2.gz VAMMEOVDWQFDOB-IRXDYDNUSA-N 2 1 341.927 2.784 10 30 EFEEMP C#CC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1CCCCCC1 ZINC001483813468 1112480958 /nfs/dbraw/zinc/48/09/58/1112480958.db2.gz TUZJYHDVUDICJT-QUCCMNQESA-N 2 1 347.547 2.881 10 30 EFEEMP C=CCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001483833261 1112494455 /nfs/dbraw/zinc/49/44/55/1112494455.db2.gz IWJQTQFOIKWFKS-IRFCIJBXSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001483833261 1112494456 /nfs/dbraw/zinc/49/44/56/1112494456.db2.gz IWJQTQFOIKWFKS-IRFCIJBXSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001483833261 1112494457 /nfs/dbraw/zinc/49/44/57/1112494457.db2.gz IWJQTQFOIKWFKS-IRFCIJBXSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001483833616 1112494520 /nfs/dbraw/zinc/49/45/20/1112494520.db2.gz MHDQLDWLZKMTQR-UYAOXDASSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCC2(CCN(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001483837761 1112513468 /nfs/dbraw/zinc/51/34/68/1112513468.db2.gz OQROXIPKZSISCM-GOSISDBHSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001483945882 1112585988 /nfs/dbraw/zinc/58/59/88/1112585988.db2.gz KBDAYYXTLNPQDH-SJORKVTESA-N 2 1 332.492 2.942 10 30 EFEEMP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001483980517 1112622876 /nfs/dbraw/zinc/62/28/76/1112622876.db2.gz KXKQNCLOLHUZKA-LJQANCHMSA-N 2 1 347.547 2.833 10 30 EFEEMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001483986630 1112632225 /nfs/dbraw/zinc/63/22/25/1112632225.db2.gz MGXQWUCUFBVHCU-QYZOEREBSA-N 2 1 347.547 2.689 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCC1 ZINC001484006812 1112650629 /nfs/dbraw/zinc/65/06/29/1112650629.db2.gz NDBDWLSBTPUZLN-WDSOQIARSA-N 2 1 335.536 2.948 10 30 EFEEMP C=CC[NH2+]C[C@H](NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C1CCCC1 ZINC001484008945 1112657788 /nfs/dbraw/zinc/65/77/88/1112657788.db2.gz IRQZBSXJTGTEJI-LPHOPBHVSA-N 2 1 339.499 2.650 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001484019306 1112670771 /nfs/dbraw/zinc/67/07/71/1112670771.db2.gz ACMQGBBGFQBBHP-QUCCMNQESA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001484198221 1112917931 /nfs/dbraw/zinc/91/79/31/1112917931.db2.gz QKHIEPMNJQCARW-INIZCTEOSA-N 2 1 343.462 2.512 10 30 EFEEMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001484832218 1117766785 /nfs/dbraw/zinc/76/67/85/1117766785.db2.gz VUGOSGRCBZBLPV-HXUWFJFHSA-N 2 1 333.520 2.753 10 30 EFEEMP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)c2cc(C[NH+](C)C)on2)cc1 ZINC001272690545 1117767292 /nfs/dbraw/zinc/76/72/92/1117767292.db2.gz ATKBULIUQSVXNZ-CQSZACIVSA-N 2 1 342.443 2.503 10 30 EFEEMP C=C(C)CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001484924745 1117828321 /nfs/dbraw/zinc/82/83/21/1117828321.db2.gz VXSFFWZYMINJRG-ROUUACIJSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001484984251 1117909838 /nfs/dbraw/zinc/90/98/38/1117909838.db2.gz ZTVAHJPADKKNAD-MSOLQXFVSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCCC[NH+]1CCC2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001485011566 1117943667 /nfs/dbraw/zinc/94/36/67/1117943667.db2.gz QDHCGLSGCYMLND-LJQANCHMSA-N 2 1 347.547 2.999 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001485085300 1118024259 /nfs/dbraw/zinc/02/42/59/1118024259.db2.gz ZQVZJVLJUXTQHX-RTBURBONSA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001485085300 1118024266 /nfs/dbraw/zinc/02/42/66/1118024266.db2.gz ZQVZJVLJUXTQHX-RTBURBONSA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001485085300 1118024268 /nfs/dbraw/zinc/02/42/68/1118024268.db2.gz ZQVZJVLJUXTQHX-RTBURBONSA-N 2 1 335.536 2.853 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)CCCC(C)(C)C)CC1 ZINC001485387827 1118328222 /nfs/dbraw/zinc/32/82/22/1118328222.db2.gz IXTNFEGEWYAYRF-KRWDZBQOSA-N 2 1 335.536 2.594 10 30 EFEEMP C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@]2(C)C1 ZINC001485668534 1118517248 /nfs/dbraw/zinc/51/72/48/1118517248.db2.gz VKZBCHCXKARFLH-SESVDKBCSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@]2(C)C1 ZINC001485668534 1118517252 /nfs/dbraw/zinc/51/72/52/1118517252.db2.gz VKZBCHCXKARFLH-SESVDKBCSA-N 2 1 347.547 2.997 10 30 EFEEMP C=C(C)C[NH2+]CCCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001485770587 1118583495 /nfs/dbraw/zinc/58/34/95/1118583495.db2.gz UPFGLUJKVAWMFL-LJQANCHMSA-N 2 1 329.488 2.665 10 30 EFEEMP C=C(C)C[NH2+][C@H](CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1)C(C)C ZINC001485790757 1118595949 /nfs/dbraw/zinc/59/59/49/1118595949.db2.gz GRXUKPJXAZPDFJ-GOSISDBHSA-N 2 1 341.459 2.578 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H](C)CC)CC2(C)C)CC1 ZINC000941237444 1118695383 /nfs/dbraw/zinc/69/53/83/1118695383.db2.gz NMKGULZRIKQHSZ-HKUYNNGSSA-N 2 1 347.547 2.594 10 30 EFEEMP OCCC#Cc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)CC2)cc1 ZINC000067975632 215265183 /nfs/dbraw/zinc/26/51/83/215265183.db2.gz XRXDVOHXORSATP-UHFFFAOYSA-N 2 1 326.484 2.776 10 30 EFEEMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000328981416 241283278 /nfs/dbraw/zinc/28/32/78/241283278.db2.gz DQZSSLWNVSRKEA-RYQLBKOJSA-N 2 1 347.507 2.634 10 30 EFEEMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000328981416 241283285 /nfs/dbraw/zinc/28/32/85/241283285.db2.gz DQZSSLWNVSRKEA-RYQLBKOJSA-N 2 1 347.507 2.634 10 30 EFEEMP C=CCOc1ccccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000355214375 242023293 /nfs/dbraw/zinc/02/32/93/242023293.db2.gz AISNIGVBQWVZRP-QWFCFKBJSA-N 2 1 330.472 2.935 10 30 EFEEMP C=CCOc1ccccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000355214375 242023298 /nfs/dbraw/zinc/02/32/98/242023298.db2.gz AISNIGVBQWVZRP-QWFCFKBJSA-N 2 1 330.472 2.935 10 30 EFEEMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(C#N)cc2)[C@H](C)C1 ZINC000081096166 217361172 /nfs/dbraw/zinc/36/11/72/217361172.db2.gz CTQQEMCLLJYAMW-QAPCUYQASA-N 2 1 328.460 2.549 10 30 EFEEMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)[C@H](C)C1 ZINC000081096166 217361174 /nfs/dbraw/zinc/36/11/74/217361174.db2.gz CTQQEMCLLJYAMW-QAPCUYQASA-N 2 1 328.460 2.549 10 30 EFEEMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)[C@H](C)C1 ZINC000081096166 217361176 /nfs/dbraw/zinc/36/11/76/217361176.db2.gz CTQQEMCLLJYAMW-QAPCUYQASA-N 2 1 328.460 2.549 10 30 EFEEMP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194737547 278149553 /nfs/dbraw/zinc/14/95/53/278149553.db2.gz RZPBEEHBOOVXIA-QGZVFWFLSA-N 2 1 346.519 2.525 10 30 EFEEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC#Cc2ccc(Cl)cc2)CC1 ZINC000177133566 473313732 /nfs/dbraw/zinc/31/37/32/473313732.db2.gz SOIYYXGERNRSBZ-MRXNPFEDSA-N 2 1 334.891 2.716 10 30 EFEEMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000118398837 472496072 /nfs/dbraw/zinc/49/60/72/472496072.db2.gz RIJWRHUWRYCLQV-FXAWDEMLSA-N 2 1 326.488 2.721 10 30 EFEEMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000118398837 472496077 /nfs/dbraw/zinc/49/60/77/472496077.db2.gz RIJWRHUWRYCLQV-FXAWDEMLSA-N 2 1 326.488 2.721 10 30 EFEEMP C[C@@H]1C[C@H](C)C[N@H+](CCCNCc2cnc3ccc(C#N)cn23)C1 ZINC000123317771 473126697 /nfs/dbraw/zinc/12/66/97/473126697.db2.gz HPRWNDVRQRAGPE-IYBDPMFKSA-N 2 1 325.460 2.664 10 30 EFEEMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000123317771 473126702 /nfs/dbraw/zinc/12/67/02/473126702.db2.gz HPRWNDVRQRAGPE-IYBDPMFKSA-N 2 1 325.460 2.664 10 30 EFEEMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000123317771 473126710 /nfs/dbraw/zinc/12/67/10/473126710.db2.gz HPRWNDVRQRAGPE-IYBDPMFKSA-N 2 1 325.460 2.664 10 30 EFEEMP C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000620302959 480058507 /nfs/dbraw/zinc/05/85/07/480058507.db2.gz DIJDRLAGOMWZAI-BGYRXZFFSA-N 2 1 345.531 2.892 10 30 EFEEMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2sccc2C#N)[C@H](C)C1 ZINC000175717739 474291234 /nfs/dbraw/zinc/29/12/34/474291234.db2.gz CLLXXJAYKHUBLN-HIFRSBDPSA-N 2 1 334.489 2.610 10 30 EFEEMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2sccc2C#N)[C@H](C)C1 ZINC000175717739 474291238 /nfs/dbraw/zinc/29/12/38/474291238.db2.gz CLLXXJAYKHUBLN-HIFRSBDPSA-N 2 1 334.489 2.610 10 30 EFEEMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2sccc2C#N)[C@H](C)C1 ZINC000175717739 474291242 /nfs/dbraw/zinc/29/12/42/474291242.db2.gz CLLXXJAYKHUBLN-HIFRSBDPSA-N 2 1 334.489 2.610 10 30 EFEEMP Cn1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1C#N ZINC000310837546 474828481 /nfs/dbraw/zinc/82/84/81/474828481.db2.gz MZPDQXWKCNXPTO-CEWLAPEOSA-N 2 1 334.467 2.897 10 30 EFEEMP C=CCOc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000354017957 476367890 /nfs/dbraw/zinc/36/78/90/476367890.db2.gz NHZQZEBUMXFDQW-RXVVDRJESA-N 2 1 343.515 2.709 10 30 EFEEMP C=CCOc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000354017957 476367895 /nfs/dbraw/zinc/36/78/95/476367895.db2.gz NHZQZEBUMXFDQW-RXVVDRJESA-N 2 1 343.515 2.709 10 30 EFEEMP CNC(NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)=[NH+]C ZINC000363433152 476382514 /nfs/dbraw/zinc/38/25/14/476382514.db2.gz VWLNSNKLANREJT-ZFWWWQNUSA-N 2 1 342.409 2.883 10 30 EFEEMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cccc(C#N)c2)[C@@H](C)C1 ZINC000429797244 476692278 /nfs/dbraw/zinc/69/22/78/476692278.db2.gz UUAIHQRYACQRGN-MAUKXSAKSA-N 2 1 328.460 2.549 10 30 EFEEMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2cccc(C#N)c2)[C@@H](C)C1 ZINC000429797244 476692289 /nfs/dbraw/zinc/69/22/89/476692289.db2.gz UUAIHQRYACQRGN-MAUKXSAKSA-N 2 1 328.460 2.549 10 30 EFEEMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)[C@@H](C)C1 ZINC000429797244 476692294 /nfs/dbraw/zinc/69/22/94/476692294.db2.gz UUAIHQRYACQRGN-MAUKXSAKSA-N 2 1 328.460 2.549 10 30 EFEEMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000383104546 476749946 /nfs/dbraw/zinc/74/99/46/476749946.db2.gz CUHYRIYNBWJVFH-IAGOWNOFSA-N 2 1 337.508 2.567 10 30 EFEEMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000383104546 476749949 /nfs/dbraw/zinc/74/99/49/476749949.db2.gz CUHYRIYNBWJVFH-IAGOWNOFSA-N 2 1 337.508 2.567 10 30 EFEEMP N#C[C@@H]1CCCC[C@H]1NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390878290 476807508 /nfs/dbraw/zinc/80/75/08/476807508.db2.gz UBVRPJOSYSVPKO-SLFFLAALSA-N 2 1 327.472 2.949 10 30 EFEEMP C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1c[nH+]ccc1N ZINC000423059844 476910118 /nfs/dbraw/zinc/91/01/18/476910118.db2.gz MXGAHIKMNWNZMW-JEYLPNPQSA-N 2 1 337.427 2.802 10 30 EFEEMP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(C#N)cc1F ZINC000423523503 477062479 /nfs/dbraw/zinc/06/24/79/477062479.db2.gz VXUOPXWMRJNKRX-OOHWJJMZSA-N 2 1 330.451 2.564 10 30 EFEEMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000411282488 477181202 /nfs/dbraw/zinc/18/12/02/477181202.db2.gz UZNJSYSXXQYSSJ-LJQANCHMSA-N 2 1 332.536 2.952 10 30 EFEEMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000411282488 477181207 /nfs/dbraw/zinc/18/12/07/477181207.db2.gz UZNJSYSXXQYSSJ-LJQANCHMSA-N 2 1 332.536 2.952 10 30 EFEEMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)[C@H](C)C1 ZINC000437102732 477671012 /nfs/dbraw/zinc/67/10/12/477671012.db2.gz HEKJXKCGGMMZCO-JYPHPWERSA-N 2 1 342.487 2.963 10 30 EFEEMP N#Cc1c(F)cccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000428258003 477854534 /nfs/dbraw/zinc/85/45/34/477854534.db2.gz VDZOFCDGTVUENE-UHFFFAOYSA-N 2 1 331.435 2.774 10 30 EFEEMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2C(C)C)CC1 ZINC000580182866 478356381 /nfs/dbraw/zinc/35/63/81/478356381.db2.gz JBEWIVYYNAYSSO-GOSISDBHSA-N 2 1 332.488 2.790 10 30 EFEEMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1c1cccs1 ZINC000594437715 478387627 /nfs/dbraw/zinc/38/76/27/478387627.db2.gz DPULPPQVHIZGCI-VYDXJSESSA-N 2 1 348.516 2.658 10 30 EFEEMP C[C@@H]1C[C@@H](CC[NH2+]C[C@@H](O)CC2(C#N)CC2)C[N@H+]1Cc1ccccc1 ZINC000600729697 478491629 /nfs/dbraw/zinc/49/16/29/478491629.db2.gz WWHQYKNMBROESA-RLLQIKCJSA-N 2 1 341.499 2.931 10 30 EFEEMP C[C@@H]1C[C@H](CC[NH2+]C[C@@H](O)CC2(C#N)CC2)C[N@H+]1Cc1ccccc1 ZINC000600729684 478492139 /nfs/dbraw/zinc/49/21/39/478492139.db2.gz WWHQYKNMBROESA-HOJAQTOUSA-N 2 1 341.499 2.931 10 30 EFEEMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594922989 478587401 /nfs/dbraw/zinc/58/74/01/478587401.db2.gz WKUXIQPSZYBGRC-UHFFFAOYSA-N 2 1 340.515 2.605 10 30 EFEEMP N#Cc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c(F)c1 ZINC000594973552 478614318 /nfs/dbraw/zinc/61/43/18/478614318.db2.gz FVXANYKIFMAPMQ-LJQANCHMSA-N 2 1 339.414 2.554 10 30 EFEEMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@@H](O)CC3(C#N)CC3)C2)s1 ZINC000599405543 479286200 /nfs/dbraw/zinc/28/62/00/479286200.db2.gz YOAGXXIGODPVRC-SJORKVTESA-N 2 1 347.528 2.865 10 30 EFEEMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H](O)CC3(C#N)CC3)C2)s1 ZINC000599405543 479286206 /nfs/dbraw/zinc/28/62/06/479286206.db2.gz YOAGXXIGODPVRC-SJORKVTESA-N 2 1 347.528 2.865 10 30 EFEEMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H](O)CC3(C#N)CC3)C2)s1 ZINC000599405543 479286211 /nfs/dbraw/zinc/28/62/11/479286211.db2.gz YOAGXXIGODPVRC-SJORKVTESA-N 2 1 347.528 2.865 10 30 EFEEMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614178975 480217363 /nfs/dbraw/zinc/21/73/63/480217363.db2.gz XKIQUISBBPELDH-UHFFFAOYSA-N 2 1 328.504 2.557 10 30 EFEEMP C=C1CCN(C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000638382202 480697457 /nfs/dbraw/zinc/69/74/57/480697457.db2.gz SOXFOECLAQTHIV-UHFFFAOYSA-N 2 1 327.472 2.549 10 30 EFEEMP C=CC[C@@]1(C(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)CCC[NH2+]1 ZINC000662673608 481927846 /nfs/dbraw/zinc/92/78/46/481927846.db2.gz NCWJKBQJVAFDEB-NRFANRHFSA-N 2 1 341.499 2.728 10 30 EFEEMP C=CC[C@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCC[NH2+]1 ZINC000662719033 481946774 /nfs/dbraw/zinc/94/67/74/481946774.db2.gz VLBDWYIWPPUWMI-FBBABVLZSA-N 2 1 341.499 2.854 10 30 EFEEMP C=CC[C@@]1(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000662750706 481957875 /nfs/dbraw/zinc/95/78/75/481957875.db2.gz DPRQCCACSZOUQX-PXNSSMCTSA-N 2 1 329.488 2.712 10 30 EFEEMP C=CCOc1cccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000179516059 526896457 /nfs/dbraw/zinc/89/64/57/526896457.db2.gz FTHBMZFJRFPBFI-QGZVFWFLSA-N 2 1 332.488 2.776 10 30 EFEEMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000261961260 535263234 /nfs/dbraw/zinc/26/32/34/535263234.db2.gz KGIOXUSTSVCJST-DOTOQJQBSA-N 2 1 344.503 2.938 10 30 EFEEMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(Cl)sc1Cl ZINC000261983639 535597467 /nfs/dbraw/zinc/59/74/67/535597467.db2.gz JCJDDRHRJRZKGG-JTQLQIEISA-N 2 1 335.304 2.944 10 30 EFEEMP C=CCOc1ccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000685457658 550154287 /nfs/dbraw/zinc/15/42/87/550154287.db2.gz IQOJEEJSIAKKTE-HXUWFJFHSA-N 2 1 343.515 2.852 10 30 EFEEMP C=CCOc1ccccc1C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457562 550154660 /nfs/dbraw/zinc/15/46/60/550154660.db2.gz DXULPKKKPUGGFY-FQEVSTJZSA-N 2 1 343.515 2.852 10 30 EFEEMP C=CCOc1ccccc1C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457562 550154662 /nfs/dbraw/zinc/15/46/62/550154662.db2.gz DXULPKKKPUGGFY-FQEVSTJZSA-N 2 1 343.515 2.852 10 30 EFEEMP CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000768806500 577304501 /nfs/dbraw/zinc/30/45/01/577304501.db2.gz FFWKEOLXQDOJRI-UYAOXDASSA-N 2 1 342.483 2.928 10 30 EFEEMP CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000768806500 577304503 /nfs/dbraw/zinc/30/45/03/577304503.db2.gz FFWKEOLXQDOJRI-UYAOXDASSA-N 2 1 342.483 2.928 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1ccccc1Cl ZINC001691350105 1248682042 /nfs/dbraw/zinc/68/20/42/1248682042.db2.gz NMUDJUAVPCZMHX-YJBOKZPZSA-N 2 1 347.890 2.547 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1ccccc1Cl ZINC001691350105 1248682055 /nfs/dbraw/zinc/68/20/55/1248682055.db2.gz NMUDJUAVPCZMHX-YJBOKZPZSA-N 2 1 347.890 2.547 10 30 EFEEMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001691410536 1248753045 /nfs/dbraw/zinc/75/30/45/1248753045.db2.gz RAIGWFMAFSSGFK-RBUKOAKNSA-N 2 1 329.488 2.788 10 30 EFEEMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001691410536 1248753054 /nfs/dbraw/zinc/75/30/54/1248753054.db2.gz RAIGWFMAFSSGFK-RBUKOAKNSA-N 2 1 329.488 2.788 10 30 EFEEMP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001691410536 1248753059 /nfs/dbraw/zinc/75/30/59/1248753059.db2.gz RAIGWFMAFSSGFK-RBUKOAKNSA-N 2 1 329.488 2.788 10 30 EFEEMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001691410536 1248753070 /nfs/dbraw/zinc/75/30/70/1248753070.db2.gz RAIGWFMAFSSGFK-RBUKOAKNSA-N 2 1 329.488 2.788 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1C(F)(F)F ZINC001691935182 1249062578 /nfs/dbraw/zinc/06/25/78/1249062578.db2.gz BQLCQNOVOICEMP-LSDHHAIUSA-N 2 1 349.441 2.519 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001691789784 1249223501 /nfs/dbraw/zinc/22/35/01/1249223501.db2.gz AZKJHKMIMXJXHV-HKUYNNGSSA-N 2 1 335.536 2.996 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(CC)CC)CC1 ZINC001772517265 1247946542 /nfs/dbraw/zinc/94/65/42/1247946542.db2.gz GQSHMOIAPCBKCH-FHWLQOOXSA-N 2 1 333.520 2.537 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(CC)CC)CC1 ZINC001772517265 1247946549 /nfs/dbraw/zinc/94/65/49/1247946549.db2.gz GQSHMOIAPCBKCH-FHWLQOOXSA-N 2 1 333.520 2.537 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001691075933 1248363170 /nfs/dbraw/zinc/36/31/70/1248363170.db2.gz WCSPCIDSGJQKOY-OALUTQOASA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001691162060 1248494719 /nfs/dbraw/zinc/49/47/19/1248494719.db2.gz TYXRXAKZJNSRKT-LNLFQRSKSA-N 2 1 333.520 2.844 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](CCCC(C)(C)C)C2)CC1 ZINC001691170981 1248501291 /nfs/dbraw/zinc/50/12/91/1248501291.db2.gz KYGQUSRHQPTLJU-GOSISDBHSA-N 2 1 347.547 2.596 10 30 EFEEMP C=CCC[N@@H+](C)CC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001692022659 1248524872 /nfs/dbraw/zinc/52/48/72/1248524872.db2.gz FHQJCCBQCKELAZ-UHFFFAOYSA-N 2 1 332.492 2.753 10 30 EFEEMP C=CCC[N@H+](C)CC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001692022659 1248524879 /nfs/dbraw/zinc/52/48/79/1248524879.db2.gz FHQJCCBQCKELAZ-UHFFFAOYSA-N 2 1 332.492 2.753 10 30 EFEEMP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001691225878 1248552097 /nfs/dbraw/zinc/55/20/97/1248552097.db2.gz IPXIJOUTHOKGTB-IPMKNSEASA-N 2 1 345.531 2.539 10 30 EFEEMP C=CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001691276868 1248590058 /nfs/dbraw/zinc/59/00/58/1248590058.db2.gz GSAFELYREOZZRU-RBUKOAKNSA-N 2 1 347.547 2.997 10 30 EFEEMP C#CC[NH2+][C@H](CNC(=O)C[N@H+](C)C(C)C)c1ccc(C(C)C)cc1 ZINC001691772802 1248638945 /nfs/dbraw/zinc/63/89/45/1248638945.db2.gz PUOHXCLPHDPPAW-LJQANCHMSA-N 2 1 329.488 2.530 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001691587028 1251796023 /nfs/dbraw/zinc/79/60/23/1251796023.db2.gz WPTSSBBIXBOFOF-MOPGFXCFSA-N 2 1 333.520 2.609 10 30 EFEEMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001691586786 1251796039 /nfs/dbraw/zinc/79/60/39/1251796039.db2.gz RPWYYMRZALHNMG-MOPGFXCFSA-N 2 1 333.520 2.609 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001691620932 1251839603 /nfs/dbraw/zinc/83/96/03/1251839603.db2.gz MJHNAVAWHQUNMT-IPMKNSEASA-N 2 1 335.536 2.949 10 30 EFEEMP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001484121691 1252296337 /nfs/dbraw/zinc/29/63/37/1252296337.db2.gz HCYMHHSDMFPJDS-QUCCMNQESA-N 2 1 329.488 2.694 10 30 EFEEMP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001484128296 1252307671 /nfs/dbraw/zinc/30/76/71/1252307671.db2.gz ODHMQLGCVJSXEN-ICSRJNTNSA-N 2 1 329.488 2.694 10 30 EFEEMP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)CC[N@H+](C)CCC)C2)CC1 ZINC001484323329 1252393408 /nfs/dbraw/zinc/39/34/08/1252393408.db2.gz KEXBSFVDERBVJE-FQEVSTJZSA-N 2 1 347.547 2.692 10 30 EFEEMP C=CCC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001484770336 1252936859 /nfs/dbraw/zinc/93/68/59/1252936859.db2.gz CKVJQMCRXVYDIQ-MOPGFXCFSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001484770336 1252936870 /nfs/dbraw/zinc/93/68/70/1252936870.db2.gz CKVJQMCRXVYDIQ-MOPGFXCFSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001484770336 1252936877 /nfs/dbraw/zinc/93/68/77/1252936877.db2.gz CKVJQMCRXVYDIQ-MOPGFXCFSA-N 2 1 335.536 2.855 10 30 EFEEMP CC#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](C(C)C)CC1 ZINC001484770558 1252938189 /nfs/dbraw/zinc/93/81/89/1252938189.db2.gz GTLFJIFKHASSBE-BGYRXZFFSA-N 2 1 345.531 2.728 10 30 EFEEMP CC#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](C(C)C)CC1 ZINC001484770558 1252938201 /nfs/dbraw/zinc/93/82/01/1252938201.db2.gz GTLFJIFKHASSBE-BGYRXZFFSA-N 2 1 345.531 2.728 10 30 EFEEMP C=CC[NH2+]C1(CC)CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001484812361 1253019690 /nfs/dbraw/zinc/01/96/90/1253019690.db2.gz VDAYAGYXFOWLNJ-INIZCTEOSA-N 2 1 332.492 2.943 10 30 EFEEMP C=CC[NH2+]C1(CC)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001484812362 1253019720 /nfs/dbraw/zinc/01/97/20/1253019720.db2.gz VDAYAGYXFOWLNJ-MRXNPFEDSA-N 2 1 332.492 2.943 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001485824094 1255323082 /nfs/dbraw/zinc/32/30/82/1255323082.db2.gz GYISGBNIMVJJIY-SJORKVTESA-N 2 1 341.927 2.688 10 30 EFEEMP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001272786500 1258038981 /nfs/dbraw/zinc/03/89/81/1258038981.db2.gz QVYWOWDEJFZTNL-IHPCNDPISA-N 2 1 341.499 2.577 10 30 EFEEMP C#CCC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC2)C1 ZINC001670919576 1258634458 /nfs/dbraw/zinc/63/44/58/1258634458.db2.gz WTSNWKMRWXHLQW-LJQANCHMSA-N 2 1 347.547 2.548 10 30 EFEEMP C#CCC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)CC(C)(C)C)CC2)C1 ZINC001670919576 1258634467 /nfs/dbraw/zinc/63/44/67/1258634467.db2.gz WTSNWKMRWXHLQW-LJQANCHMSA-N 2 1 347.547 2.548 10 30 EFEEMP C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)CC(C)(C)C)CC2)C1 ZINC001670919576 1258634477 /nfs/dbraw/zinc/63/44/77/1258634477.db2.gz WTSNWKMRWXHLQW-LJQANCHMSA-N 2 1 347.547 2.548 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1C ZINC001670964917 1259123782 /nfs/dbraw/zinc/12/37/82/1259123782.db2.gz JFRPVYNGTVNZGU-MSOLQXFVSA-N 2 1 330.476 2.613 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1C ZINC001670964917 1259123784 /nfs/dbraw/zinc/12/37/84/1259123784.db2.gz JFRPVYNGTVNZGU-MSOLQXFVSA-N 2 1 330.476 2.613 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCCC1 ZINC001670968920 1259161670 /nfs/dbraw/zinc/16/16/70/1259161670.db2.gz FNRPGLBIKBPJGL-MOPGFXCFSA-N 2 1 333.520 2.894 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC=C)C2CCCCCC2)CC1 ZINC001670980741 1259282675 /nfs/dbraw/zinc/28/26/75/1259282675.db2.gz YWJCFBCEYJUJAM-UHFFFAOYSA-N 2 1 345.531 2.659 10 30 EFEEMP C=CCC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001670984928 1259311452 /nfs/dbraw/zinc/31/14/52/1259311452.db2.gz IMCBRUXPMUGDHD-IBGZPJMESA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001670984928 1259311461 /nfs/dbraw/zinc/31/14/61/1259311461.db2.gz IMCBRUXPMUGDHD-IBGZPJMESA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001670984928 1259311469 /nfs/dbraw/zinc/31/14/69/1259311469.db2.gz IMCBRUXPMUGDHD-IBGZPJMESA-N 2 1 333.520 2.750 10 30 EFEEMP C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001670989001 1259345259 /nfs/dbraw/zinc/34/52/59/1259345259.db2.gz DRMHREWYRYCXLX-UHFFFAOYSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001671045191 1259936041 /nfs/dbraw/zinc/93/60/41/1259936041.db2.gz RJYWNNUBRKDUPC-FQEVSTJZSA-N 2 1 333.520 2.753 10 30 EFEEMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923501892 1261799632 /nfs/dbraw/zinc/79/96/32/1261799632.db2.gz WPGXLJPPGYYGTE-HRCADAONSA-N 2 1 335.517 2.568 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC001486154510 1262711747 /nfs/dbraw/zinc/71/17/47/1262711747.db2.gz LNWFJFGIODGEBS-WDYCEAGBSA-N 2 1 330.476 2.659 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC001486154510 1262711751 /nfs/dbraw/zinc/71/17/51/1262711751.db2.gz LNWFJFGIODGEBS-WDYCEAGBSA-N 2 1 330.476 2.659 10 30 EFEEMP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@H]21 ZINC001486165572 1262727548 /nfs/dbraw/zinc/72/75/48/1262727548.db2.gz GXGKDGBNLYPAGD-GUDVDZBRSA-N 2 1 344.503 2.765 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(C)(C)C ZINC001486399175 1262997175 /nfs/dbraw/zinc/99/71/75/1262997175.db2.gz IYPJWESCFGLAGU-RRFJBIMHSA-N 2 1 329.916 2.590 10 30 EFEEMP C=CCCC[NH+]1CCC(C2(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001486490115 1263234206 /nfs/dbraw/zinc/23/42/06/1263234206.db2.gz HNNJKRGBUGVLAY-QGZVFWFLSA-N 2 1 333.520 2.655 10 30 EFEEMP C=C(C)C[NH2+]Cc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+]2C)c(F)c1 ZINC001486523751 1263324522 /nfs/dbraw/zinc/32/45/22/1263324522.db2.gz DBAKQGUFJBRAQF-GOSISDBHSA-N 2 1 347.478 2.982 10 30 EFEEMP C=C(C)C[NH2+]Cc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)c(F)c1 ZINC001486523752 1263326039 /nfs/dbraw/zinc/32/60/39/1263326039.db2.gz DBAKQGUFJBRAQF-SFHVURJKSA-N 2 1 347.478 2.982 10 30 EFEEMP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C)c(F)c1 ZINC001486524060 1263326558 /nfs/dbraw/zinc/32/65/58/1263326558.db2.gz OEBUKNNYUMYEIE-GOSISDBHSA-N 2 1 333.451 2.592 10 30 EFEEMP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(F)c1 ZINC001486524514 1263328190 /nfs/dbraw/zinc/32/81/90/1263328190.db2.gz HAVLSRIHCQPXJI-RDJZCZTQSA-N 2 1 347.478 2.838 10 30 EFEEMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)c(F)c1 ZINC001486525528 1263331494 /nfs/dbraw/zinc/33/14/94/1263331494.db2.gz NGYPWTYQAJOBHL-HKUYNNGSSA-N 2 1 345.462 2.734 10 30 EFEEMP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CCC[N@H+](C(C)C)C1)C(C)C ZINC001144203867 1279259684 /nfs/dbraw/zinc/25/96/84/1279259684.db2.gz FNUQYPYKISOUAU-MOPGFXCFSA-N 2 1 335.536 2.922 10 30 EFEEMP C=CC[NH+]1CC[C@]2(CCN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001671081784 1280969516 /nfs/dbraw/zinc/96/95/16/1280969516.db2.gz XJMGHUAZTYDNDW-FQEVSTJZSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001671081784 1280969522 /nfs/dbraw/zinc/96/95/22/1280969522.db2.gz XJMGHUAZTYDNDW-FQEVSTJZSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001671081784 1280969526 /nfs/dbraw/zinc/96/95/26/1280969526.db2.gz XJMGHUAZTYDNDW-FQEVSTJZSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001671085316 1281423252 /nfs/dbraw/zinc/42/32/52/1281423252.db2.gz OFQQMARERNFCIM-FPOVZHCZSA-N 2 1 347.547 2.997 10 30 EFEEMP C[C@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)CCN1c1cc[nH+]cc1 ZINC001175768206 1287547265 /nfs/dbraw/zinc/54/72/65/1287547265.db2.gz KZYXJOIQIUZZOK-KRWDZBQOSA-N 2 1 336.439 2.933 10 30 EFEEMP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000903460403 1312715403 /nfs/dbraw/zinc/71/54/03/1312715403.db2.gz ATEIIECNBZVQJF-BJLQDIEVSA-N 2 1 327.472 2.893 10 30 EFEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC000876892615 1291061913 /nfs/dbraw/zinc/06/19/13/1291061913.db2.gz DAXMNEAQOLIHKN-DLBZAZTESA-N 2 1 335.879 2.579 10 30 EFEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC000876892615 1291061920 /nfs/dbraw/zinc/06/19/20/1291061920.db2.gz DAXMNEAQOLIHKN-DLBZAZTESA-N 2 1 335.879 2.579 10 30 EFEEMP C#CCC[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001273607069 1292289215 /nfs/dbraw/zinc/28/92/15/1292289215.db2.gz IAIVWJWKUJIWKT-WOJBJXKFSA-N 2 1 347.547 2.835 10 30 EFEEMP C#CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001273607069 1292289225 /nfs/dbraw/zinc/28/92/25/1292289225.db2.gz IAIVWJWKUJIWKT-WOJBJXKFSA-N 2 1 347.547 2.835 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001273607069 1292289233 /nfs/dbraw/zinc/28/92/33/1292289233.db2.gz IAIVWJWKUJIWKT-WOJBJXKFSA-N 2 1 347.547 2.835 10 30 EFEEMP C=CCC[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCO1 ZINC000883191918 1293500501 /nfs/dbraw/zinc/50/05/01/1293500501.db2.gz MTFVGNPYQKBTMV-PCCBWWKXSA-N 2 1 344.499 2.727 10 30 EFEEMP C=CCC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCO1 ZINC000883191918 1293500505 /nfs/dbraw/zinc/50/05/05/1293500505.db2.gz MTFVGNPYQKBTMV-PCCBWWKXSA-N 2 1 344.499 2.727 10 30 EFEEMP C[NH+]=C(NCc1ccco1)NCc1cccc(Cn2cc[nH+]c2C)c1 ZINC000097001103 1294611657 /nfs/dbraw/zinc/61/16/57/1294611657.db2.gz FQGYZSIDYSWXMB-UHFFFAOYSA-N 2 1 337.427 2.698 10 30 EFEEMP C#CC[NH+](CC[C@H]1CCC[N@H+]1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426043 1294958791 /nfs/dbraw/zinc/95/87/91/1294958791.db2.gz FGECORJFBWGKGX-QGZVFWFLSA-N 2 1 349.519 2.805 10 30 EFEEMP C#CC[NH+](CC[C@H]1CCC[N@@H+]1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426043 1294958803 /nfs/dbraw/zinc/95/88/03/1294958803.db2.gz FGECORJFBWGKGX-QGZVFWFLSA-N 2 1 349.519 2.805 10 30 EFEEMP C#CC[N@@H+](CC[C@H]1CCC[NH+]1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426043 1294958814 /nfs/dbraw/zinc/95/88/14/1294958814.db2.gz FGECORJFBWGKGX-QGZVFWFLSA-N 2 1 349.519 2.805 10 30 EFEEMP C#CC[N@H+](CC[C@H]1CCC[NH+]1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426043 1294958828 /nfs/dbraw/zinc/95/88/28/1294958828.db2.gz FGECORJFBWGKGX-QGZVFWFLSA-N 2 1 349.519 2.805 10 30 EFEEMP C#CC[NH2+]C1(CC)CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001273795238 1295814870 /nfs/dbraw/zinc/81/48/70/1295814870.db2.gz BEJSBYOBXCCVMV-LJQANCHMSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CC[NH+]1CCC(NC(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)CC1 ZINC000928657931 1297121808 /nfs/dbraw/zinc/12/18/08/1297121808.db2.gz FPHIMZUMROFFOB-UHFFFAOYSA-N 2 1 341.499 2.744 10 30 EFEEMP C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903887065 1313353011 /nfs/dbraw/zinc/35/30/11/1313353011.db2.gz XAWZZDMAVGEVGK-SFHVURJKSA-N 2 1 342.487 2.543 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]2C1 ZINC001489202313 1298116041 /nfs/dbraw/zinc/11/60/41/1298116041.db2.gz BTMXOABGTNGDLW-MOPGFXCFSA-N 2 1 344.503 2.718 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]2C1 ZINC001489202313 1298116049 /nfs/dbraw/zinc/11/60/49/1298116049.db2.gz BTMXOABGTNGDLW-MOPGFXCFSA-N 2 1 344.503 2.718 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)CCCC(C)(C)C)CC1 ZINC001490281740 1298706487 /nfs/dbraw/zinc/70/64/87/1298706487.db2.gz MRHWPELOZNNWNK-UHFFFAOYSA-N 2 1 335.536 2.596 10 30 EFEEMP C#CCC[NH+]1CCC(N(CCC)C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001490622342 1299051355 /nfs/dbraw/zinc/05/13/55/1299051355.db2.gz RSBUUTVWOJMORX-UHFFFAOYSA-N 2 1 344.503 2.698 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001490765082 1299212713 /nfs/dbraw/zinc/21/27/13/1299212713.db2.gz BYNGJJIAJDWBOT-ROUUACIJSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCCCC[N@H+](C)C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001490776865 1299241637 /nfs/dbraw/zinc/24/16/37/1299241637.db2.gz NQMPOBMIYBWIFV-LJQANCHMSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001490793693 1299261850 /nfs/dbraw/zinc/26/18/50/1299261850.db2.gz JVLNQQAFGYTHIC-CADBVGFASA-N 2 1 333.520 2.891 10 30 EFEEMP C=CCC[C@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001490793693 1299261860 /nfs/dbraw/zinc/26/18/60/1299261860.db2.gz JVLNQQAFGYTHIC-CADBVGFASA-N 2 1 333.520 2.891 10 30 EFEEMP C=CCC[C@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001490793693 1299261868 /nfs/dbraw/zinc/26/18/68/1299261868.db2.gz JVLNQQAFGYTHIC-CADBVGFASA-N 2 1 333.520 2.891 10 30 EFEEMP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CCCC1 ZINC001278240445 1313830489 /nfs/dbraw/zinc/83/04/89/1313830489.db2.gz BUTZOYNHEVYOOH-PMACEKPBSA-N 2 1 345.531 2.681 10 30 EFEEMP CC1(C)[C@H]([NH3+])c2ccccc2N1C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867988161 1304060826 /nfs/dbraw/zinc/06/08/26/1304060826.db2.gz VBKSNGPKDLMEFJ-RBUKOAKNSA-N 2 1 346.434 2.570 10 30 EFEEMP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001276623534 1314113694 /nfs/dbraw/zinc/11/36/94/1314113694.db2.gz FERVPVGVYMVBNA-ZWKOTPCHSA-N 2 1 329.488 2.692 10 30 EFEEMP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001276623534 1314113696 /nfs/dbraw/zinc/11/36/96/1314113696.db2.gz FERVPVGVYMVBNA-ZWKOTPCHSA-N 2 1 329.488 2.692 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000900404476 1308131323 /nfs/dbraw/zinc/13/13/23/1308131323.db2.gz HOJZWZPROLXYRT-IBGZPJMESA-N 2 1 329.488 2.665 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000900406373 1308133338 /nfs/dbraw/zinc/13/33/38/1308133338.db2.gz HRWAZEZJEQSKHC-LJQANCHMSA-N 2 1 329.488 2.523 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000900972896 1309082066 /nfs/dbraw/zinc/08/20/66/1309082066.db2.gz CUKUWYAFPCKAMW-HKUYNNGSSA-N 2 1 329.488 2.664 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000901359901 1310224569 /nfs/dbraw/zinc/22/45/69/1310224569.db2.gz HBAARXPOLQNVQJ-HKUYNNGSSA-N 2 1 329.488 2.521 10 30 EFEEMP C=CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001276842242 1311189481 /nfs/dbraw/zinc/18/94/81/1311189481.db2.gz ZMBRCMUMTHHCQK-ZCNNSNEGSA-N 2 1 347.547 2.901 10 30 EFEEMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)CCCC[NH+]3CCCC3)C[C@@]2(C)C1 ZINC001276912319 1311293309 /nfs/dbraw/zinc/29/33/09/1311293309.db2.gz GBSBRUMHISJDAE-BGYRXZFFSA-N 2 1 333.520 2.609 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001276923167 1311307682 /nfs/dbraw/zinc/30/76/82/1311307682.db2.gz GVPCPSPDRKPPQC-ZWKOTPCHSA-N 2 1 344.503 2.691 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001276923167 1311307684 /nfs/dbraw/zinc/30/76/84/1311307684.db2.gz GVPCPSPDRKPPQC-ZWKOTPCHSA-N 2 1 344.503 2.691 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC1CC2(CCC2)C1 ZINC001277209448 1311806895 /nfs/dbraw/zinc/80/68/95/1311806895.db2.gz FQKJDSFBEYYKIK-MJGOQNOKSA-N 2 1 345.531 2.539 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC1CC2(CCC2)C1 ZINC001277209448 1311806897 /nfs/dbraw/zinc/80/68/97/1311806897.db2.gz FQKJDSFBEYYKIK-MJGOQNOKSA-N 2 1 345.531 2.539 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001277285833 1311919662 /nfs/dbraw/zinc/91/96/62/1311919662.db2.gz QYIXRDOFGYDOPM-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001277283651 1311923228 /nfs/dbraw/zinc/92/32/28/1311923228.db2.gz GQWHFIUIIOBQCM-ROUUACIJSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001277286391 1311924342 /nfs/dbraw/zinc/92/43/42/1311924342.db2.gz YYVDGLWQEZXXSC-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001277286391 1311924345 /nfs/dbraw/zinc/92/43/45/1311924345.db2.gz YYVDGLWQEZXXSC-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001277286391 1311924349 /nfs/dbraw/zinc/92/43/49/1311924349.db2.gz YYVDGLWQEZXXSC-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C#CCC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1CCCCCC1 ZINC001277375359 1312076522 /nfs/dbraw/zinc/07/65/22/1312076522.db2.gz ATQQEVOJXBPXFU-IBGZPJMESA-N 2 1 335.536 2.737 10 30 EFEEMP C=CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001277388553 1312098183 /nfs/dbraw/zinc/09/81/83/1312098183.db2.gz PEQZEOJYMHOWBC-LJQANCHMSA-N 2 1 333.520 2.748 10 30 EFEEMP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001277388553 1312098188 /nfs/dbraw/zinc/09/81/88/1312098188.db2.gz PEQZEOJYMHOWBC-LJQANCHMSA-N 2 1 333.520 2.748 10 30 EFEEMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001277388553 1312098192 /nfs/dbraw/zinc/09/81/92/1312098192.db2.gz PEQZEOJYMHOWBC-LJQANCHMSA-N 2 1 333.520 2.748 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](CCCC)CC2CC2)CC1 ZINC001277389010 1312099494 /nfs/dbraw/zinc/09/94/94/1312099494.db2.gz XEAOEYJDAJLVQI-FQEVSTJZSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](CCCC)CC2CC2)CC1 ZINC001277389010 1312099497 /nfs/dbraw/zinc/09/94/97/1312099497.db2.gz XEAOEYJDAJLVQI-FQEVSTJZSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](CCCC)CC2CC2)CC1 ZINC001277389010 1312099498 /nfs/dbraw/zinc/09/94/98/1312099498.db2.gz XEAOEYJDAJLVQI-FQEVSTJZSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](CCCC)CC2CC2)CC1 ZINC001277389010 1312099501 /nfs/dbraw/zinc/09/95/01/1312099501.db2.gz XEAOEYJDAJLVQI-FQEVSTJZSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CCC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001277398222 1312112320 /nfs/dbraw/zinc/11/23/20/1312112320.db2.gz GLGNJNLOVHATDV-FQEVSTJZSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001277398222 1312112322 /nfs/dbraw/zinc/11/23/22/1312112322.db2.gz GLGNJNLOVHATDV-FQEVSTJZSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001277398222 1312112324 /nfs/dbraw/zinc/11/23/24/1312112324.db2.gz GLGNJNLOVHATDV-FQEVSTJZSA-N 2 1 345.531 2.587 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001277473880 1312400007 /nfs/dbraw/zinc/40/00/07/1312400007.db2.gz LNMGAZIUPAKTHW-ICSRJNTNSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001276700048 1314522912 /nfs/dbraw/zinc/52/29/12/1314522912.db2.gz HFFMBNSJDVBDIB-OKYOBFRVSA-N 2 1 333.520 2.511 10 30 EFEEMP C#CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001278580269 1315223836 /nfs/dbraw/zinc/22/38/36/1315223836.db2.gz OXLXPJDIWGULDR-MSOLQXFVSA-N 2 1 333.520 2.539 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001278674006 1315475529 /nfs/dbraw/zinc/47/55/29/1315475529.db2.gz XMKBNULSZRMQJJ-FQEVSTJZSA-N 2 1 347.547 2.740 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001278682457 1315507794 /nfs/dbraw/zinc/50/77/94/1315507794.db2.gz YEUCVLHABLYJSV-FQEVSTJZSA-N 2 1 335.536 2.903 10 30 EFEEMP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001278692744 1315556109 /nfs/dbraw/zinc/55/61/09/1315556109.db2.gz BXXMZGQLJSBLDV-PZJWPPBQSA-N 2 1 341.499 2.531 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001278692744 1315556112 /nfs/dbraw/zinc/55/61/12/1315556112.db2.gz BXXMZGQLJSBLDV-PZJWPPBQSA-N 2 1 341.499 2.531 10 30 EFEEMP C=CCC[C@@H](C)[N@H+](C)CCN(C(=O)[C@H]1CCn2ccnc2C1)C(C)C ZINC001278911471 1315904702 /nfs/dbraw/zinc/90/47/02/1315904702.db2.gz AACBQRQAZVKOGI-MSOLQXFVSA-N 2 1 346.519 2.969 10 30 EFEEMP C=CCC[C@H](C)[N@H+](C)CCN(C(=O)[C@@H]1CCn2ccnc2C1)C(C)C ZINC001278911474 1315904834 /nfs/dbraw/zinc/90/48/34/1315904834.db2.gz AACBQRQAZVKOGI-ZWKOTPCHSA-N 2 1 346.519 2.969 10 30 EFEEMP C=CCC[C@@H](C)[N@H+](C)CCN(C(=O)[C@@H]1CCn2ccnc2C1)C(C)C ZINC001278911472 1315904885 /nfs/dbraw/zinc/90/48/85/1315904885.db2.gz AACBQRQAZVKOGI-QZTJIDSGSA-N 2 1 346.519 2.969 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001318482281 1328613942 /nfs/dbraw/zinc/61/39/42/1328613942.db2.gz GWMRZSODJKRMSI-HXUWFJFHSA-N 2 1 343.515 2.660 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001318482281 1328613949 /nfs/dbraw/zinc/61/39/49/1328613949.db2.gz GWMRZSODJKRMSI-HXUWFJFHSA-N 2 1 343.515 2.660 10 30 EFEEMP C=C(C)C[NH+]1CC[C@@H](N(CC)C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001318482281 1328613951 /nfs/dbraw/zinc/61/39/51/1328613951.db2.gz GWMRZSODJKRMSI-HXUWFJFHSA-N 2 1 343.515 2.660 10 30 EFEEMP C=C(C)C[NH+]1CC[C@@H](N(CC)C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001318482281 1328613957 /nfs/dbraw/zinc/61/39/57/1328613957.db2.gz GWMRZSODJKRMSI-HXUWFJFHSA-N 2 1 343.515 2.660 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC1CCCC1)C(C)(C)C ZINC001278972650 1316004452 /nfs/dbraw/zinc/00/44/52/1316004452.db2.gz GMZDVSVLHKHURO-RBUKOAKNSA-N 2 1 347.547 2.785 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC1CCCC1)C(C)(C)C ZINC001278972650 1316004455 /nfs/dbraw/zinc/00/44/55/1316004455.db2.gz GMZDVSVLHKHURO-RBUKOAKNSA-N 2 1 347.547 2.785 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCC([C@@H](C)NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001279089913 1316138716 /nfs/dbraw/zinc/13/87/16/1316138716.db2.gz UVHQDWZSIASNHH-DOTOQJQBSA-N 2 1 332.492 2.763 10 30 EFEEMP C=CCCCCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001279105062 1316267583 /nfs/dbraw/zinc/26/75/83/1316267583.db2.gz SLLGLIAXIHDYOF-IEBWSBKVSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001261261604 1316399601 /nfs/dbraw/zinc/39/96/01/1316399601.db2.gz FLLLSHHUBUZQNP-MOPGFXCFSA-N 2 1 333.520 2.748 10 30 EFEEMP C=CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001264040238 1316582362 /nfs/dbraw/zinc/58/23/62/1316582362.db2.gz DQADCHMXHJTBBW-GUDVDZBRSA-N 2 1 347.478 2.626 10 30 EFEEMP C=CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001264040238 1316582364 /nfs/dbraw/zinc/58/23/64/1316582364.db2.gz DQADCHMXHJTBBW-GUDVDZBRSA-N 2 1 347.478 2.626 10 30 EFEEMP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001264474730 1316618664 /nfs/dbraw/zinc/61/86/64/1316618664.db2.gz HXKKBBFUPRCKPZ-NLWGTHIKSA-N 2 1 345.531 2.681 10 30 EFEEMP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)Cn1c[nH+]cc1C ZINC001264575900 1316633748 /nfs/dbraw/zinc/63/37/48/1316633748.db2.gz YVFOJEINSSFOJF-SJLPKXTDSA-N 2 1 332.492 2.765 10 30 EFEEMP C=CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001264596227 1316639306 /nfs/dbraw/zinc/63/93/06/1316639306.db2.gz MNIYRXCQFGBKOH-RTBURBONSA-N 2 1 347.478 2.628 10 30 EFEEMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001281087941 1316681102 /nfs/dbraw/zinc/68/11/02/1316681102.db2.gz OQKQDDLQHRWJJY-PKOBYXMFSA-N 2 1 339.499 2.557 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001265196007 1316749864 /nfs/dbraw/zinc/74/98/64/1316749864.db2.gz UYYNQXWRWIDMLQ-BZSNNMDCSA-N 2 1 335.536 2.994 10 30 EFEEMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001265214195 1316754498 /nfs/dbraw/zinc/75/44/98/1316754498.db2.gz HBPOOHUBFLCZOY-IRXDYDNUSA-N 2 1 332.492 2.943 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001265214195 1316754500 /nfs/dbraw/zinc/75/45/00/1316754500.db2.gz HBPOOHUBFLCZOY-IRXDYDNUSA-N 2 1 332.492 2.943 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001265290338 1316773658 /nfs/dbraw/zinc/77/36/58/1316773658.db2.gz NHNVWHYJMIKMOG-SFHVURJKSA-N 2 1 333.520 2.799 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001265327260 1316782512 /nfs/dbraw/zinc/78/25/12/1316782512.db2.gz DNPQXUDJOMBQLH-FUHWJXTLSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001265407292 1316800967 /nfs/dbraw/zinc/80/09/67/1316800967.db2.gz WXDXNIXJTXHKGK-AKHDSKFASA-N 2 1 333.520 2.891 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CCC ZINC001265407292 1316800969 /nfs/dbraw/zinc/80/09/69/1316800969.db2.gz WXDXNIXJTXHKGK-AKHDSKFASA-N 2 1 333.520 2.891 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CCC ZINC001265407292 1316800971 /nfs/dbraw/zinc/80/09/71/1316800971.db2.gz WXDXNIXJTXHKGK-AKHDSKFASA-N 2 1 333.520 2.891 10 30 EFEEMP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001265624102 1316837304 /nfs/dbraw/zinc/83/73/04/1316837304.db2.gz LAZURKDHIRBVTM-QFBILLFUSA-N 2 1 339.499 2.603 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001265624103 1316837455 /nfs/dbraw/zinc/83/74/55/1316837455.db2.gz LAZURKDHIRBVTM-VQIMIIECSA-N 2 1 339.499 2.603 10 30 EFEEMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001265654538 1316845247 /nfs/dbraw/zinc/84/52/47/1316845247.db2.gz XBDMDHWKKAUJHT-FQEVSTJZSA-N 2 1 343.515 2.708 10 30 EFEEMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001265654538 1316845250 /nfs/dbraw/zinc/84/52/50/1316845250.db2.gz XBDMDHWKKAUJHT-FQEVSTJZSA-N 2 1 343.515 2.708 10 30 EFEEMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001265654538 1316845252 /nfs/dbraw/zinc/84/52/52/1316845252.db2.gz XBDMDHWKKAUJHT-FQEVSTJZSA-N 2 1 343.515 2.708 10 30 EFEEMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001265654538 1316845255 /nfs/dbraw/zinc/84/52/55/1316845255.db2.gz XBDMDHWKKAUJHT-FQEVSTJZSA-N 2 1 343.515 2.708 10 30 EFEEMP C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001265654260 1316845335 /nfs/dbraw/zinc/84/53/35/1316845335.db2.gz QKSYMJYAPCJMME-KRWDZBQOSA-N 2 1 332.492 2.943 10 30 EFEEMP C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001265654260 1316845338 /nfs/dbraw/zinc/84/53/38/1316845338.db2.gz QKSYMJYAPCJMME-KRWDZBQOSA-N 2 1 332.492 2.943 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001265704823 1316862678 /nfs/dbraw/zinc/86/26/78/1316862678.db2.gz ALQIKFZBWLZKER-HKUYNNGSSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001265705511 1316863286 /nfs/dbraw/zinc/86/32/86/1316863286.db2.gz JXSFZKLWJAHWQV-MSOLQXFVSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCC[C@@H](C)[N@H+](C)CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001265911830 1316910793 /nfs/dbraw/zinc/91/07/93/1316910793.db2.gz HCRHFWRDSXDMCX-NVXWUHKLSA-N 2 1 332.492 2.547 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001265911830 1316910797 /nfs/dbraw/zinc/91/07/97/1316910797.db2.gz HCRHFWRDSXDMCX-NVXWUHKLSA-N 2 1 332.492 2.547 10 30 EFEEMP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001266066577 1316994041 /nfs/dbraw/zinc/99/40/41/1316994041.db2.gz CVSPERKMLUHYOC-WOJBJXKFSA-N 2 1 343.515 2.754 10 30 EFEEMP C=CCC[NH+](C)[C@H]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001266110103 1317049028 /nfs/dbraw/zinc/04/90/28/1317049028.db2.gz ANRWPGIVRFKFMD-QFBILLFUSA-N 2 1 339.499 2.698 10 30 EFEEMP C=CCC[NH+](C)[C@H]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001266110103 1317049037 /nfs/dbraw/zinc/04/90/37/1317049037.db2.gz ANRWPGIVRFKFMD-QFBILLFUSA-N 2 1 339.499 2.698 10 30 EFEEMP C=C(C)C[NH2+]C[C@]1(NC(=O)c2cc(C[NH+](C)C)on2)CCCC[C@H]1C ZINC001318745005 1328685200 /nfs/dbraw/zinc/68/52/00/1328685200.db2.gz LNEFDYSKSSTZTC-DNVCBOLYSA-N 2 1 348.491 2.581 10 30 EFEEMP C=CCCCCC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001279605559 1317323685 /nfs/dbraw/zinc/32/36/85/1317323685.db2.gz HJFQEURHXYUDGU-IPMKNSEASA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCCCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001279605559 1317323693 /nfs/dbraw/zinc/32/36/93/1317323693.db2.gz HJFQEURHXYUDGU-IPMKNSEASA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCCCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001279605559 1317323700 /nfs/dbraw/zinc/32/37/00/1317323700.db2.gz HJFQEURHXYUDGU-IPMKNSEASA-N 2 1 333.520 2.750 10 30 EFEEMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)c(F)c1 ZINC001279716000 1317368489 /nfs/dbraw/zinc/36/84/89/1317368489.db2.gz LWCRGIVXCJKXGQ-GOSISDBHSA-N 2 1 347.478 2.840 10 30 EFEEMP C#CCC[NH2+]C1(CC)CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001281004635 1317960026 /nfs/dbraw/zinc/96/00/26/1317960026.db2.gz RSBYVHDKORAEFN-KRWDZBQOSA-N 2 1 344.503 2.781 10 30 EFEEMP C=CCC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001281063384 1318004546 /nfs/dbraw/zinc/00/45/46/1318004546.db2.gz OYSVOWIFVVCUEG-HXUWFJFHSA-N 2 1 341.499 2.590 10 30 EFEEMP C=CCC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001281063384 1318004552 /nfs/dbraw/zinc/00/45/52/1318004552.db2.gz OYSVOWIFVVCUEG-HXUWFJFHSA-N 2 1 341.499 2.590 10 30 EFEEMP C=CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001281063384 1318004559 /nfs/dbraw/zinc/00/45/59/1318004559.db2.gz OYSVOWIFVVCUEG-HXUWFJFHSA-N 2 1 341.499 2.590 10 30 EFEEMP C=C(C)CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001281072162 1318006496 /nfs/dbraw/zinc/00/64/96/1318006496.db2.gz NGHMRZLZSAVHPZ-FQEVSTJZSA-N 2 1 341.499 2.592 10 30 EFEEMP C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001281073268 1318008266 /nfs/dbraw/zinc/00/82/66/1318008266.db2.gz WAGZVEBJCKXHQY-UXHICEINSA-N 2 1 343.515 2.836 10 30 EFEEMP C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001281073268 1318008275 /nfs/dbraw/zinc/00/82/75/1318008275.db2.gz WAGZVEBJCKXHQY-UXHICEINSA-N 2 1 343.515 2.836 10 30 EFEEMP C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001281073270 1318008624 /nfs/dbraw/zinc/00/86/24/1318008624.db2.gz 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KVKVFUOFMYYAMV-KRWDZBQOSA-N 2 1 344.503 2.739 10 30 EFEEMP C=C(C)C[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001282648128 1319045802 /nfs/dbraw/zinc/04/58/02/1319045802.db2.gz PMZMPVICFJRWTL-DLBZAZTESA-N 2 1 332.492 2.595 10 30 EFEEMP C=CCCCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3cnc[nH]3)C[C@H]2C1 ZINC001282959539 1319218605 /nfs/dbraw/zinc/21/86/05/1319218605.db2.gz VAYRTXJXVJRCLD-OKZBNKHCSA-N 2 1 344.503 2.915 10 30 EFEEMP C=CC[NH+]1CC2(C1)CCN(C(=O)CC[N@H+](C)C1CCCCC1)CC2 ZINC001319403821 1328874392 /nfs/dbraw/zinc/87/43/92/1328874392.db2.gz WSXWARNFKOHZJN-UHFFFAOYSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)CC2 ZINC001319412198 1328877233 /nfs/dbraw/zinc/87/72/33/1328877233.db2.gz MBGDTYLPJQHCHG-GOSISDBHSA-N 2 1 333.520 2.609 10 30 EFEEMP C=CCCCCC[NH2+][C@H]1CN(C(=O)Cn2c[nH+]cc2C)CC1(C)C ZINC001284310435 1320314614 /nfs/dbraw/zinc/31/46/14/1320314614.db2.gz QLPUKKCNLJIUPZ-KRWDZBQOSA-N 2 1 332.492 2.765 10 30 EFEEMP 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ZINC001491934062 1324049723 /nfs/dbraw/zinc/04/97/23/1324049723.db2.gz USRFFLPKQOMNJR-MOPGFXCFSA-N 2 1 333.520 2.587 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCCCCC)C1 ZINC001491934062 1324049724 /nfs/dbraw/zinc/04/97/24/1324049724.db2.gz USRFFLPKQOMNJR-MOPGFXCFSA-N 2 1 333.520 2.587 10 30 EFEEMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001491953220 1324069133 /nfs/dbraw/zinc/06/91/33/1324069133.db2.gz WDOWJMOSXPKGAS-FQEVSTJZSA-N 2 1 343.515 2.660 10 30 EFEEMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001491953220 1324069140 /nfs/dbraw/zinc/06/91/40/1324069140.db2.gz WDOWJMOSXPKGAS-FQEVSTJZSA-N 2 1 343.515 2.660 10 30 EFEEMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001491953220 1324069144 /nfs/dbraw/zinc/06/91/44/1324069144.db2.gz WDOWJMOSXPKGAS-FQEVSTJZSA-N 2 1 343.515 2.660 10 30 EFEEMP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001491965866 1324087901 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ZINC001317796811 1328385187 /nfs/dbraw/zinc/38/51/87/1328385187.db2.gz GIFZMYILPLCFQX-QZTJIDSGSA-N 2 1 344.503 2.548 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001317796811 1328385196 /nfs/dbraw/zinc/38/51/96/1328385196.db2.gz GIFZMYILPLCFQX-QZTJIDSGSA-N 2 1 344.503 2.548 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001322340592 1329449520 /nfs/dbraw/zinc/44/95/20/1329449520.db2.gz UETCAEMDGSWTJE-DOTOQJQBSA-N 2 1 348.491 2.581 10 30 EFEEMP C=CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001322354825 1329451328 /nfs/dbraw/zinc/45/13/28/1329451328.db2.gz SAYODPPRDKFBRR-IAGOWNOFSA-N 2 1 332.492 2.847 10 30 EFEEMP C=C(C)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001322372153 1329453593 /nfs/dbraw/zinc/45/35/93/1329453593.db2.gz RNOISTLYFSQCGZ-PMACEKPBSA-N 2 1 343.515 2.959 10 30 EFEEMP C=C(C)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001322372153 1329453594 /nfs/dbraw/zinc/45/35/94/1329453594.db2.gz RNOISTLYFSQCGZ-PMACEKPBSA-N 2 1 343.515 2.959 10 30 EFEEMP C=C(C)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001322372155 1329453792 /nfs/dbraw/zinc/45/37/92/1329453792.db2.gz RNOISTLYFSQCGZ-VQTJNVASSA-N 2 1 343.515 2.959 10 30 EFEEMP C=C(C)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001322372155 1329453796 /nfs/dbraw/zinc/45/37/96/1329453796.db2.gz RNOISTLYFSQCGZ-VQTJNVASSA-N 2 1 343.515 2.959 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001323258591 1329528192 /nfs/dbraw/zinc/52/81/92/1329528192.db2.gz NSAALPMBVRBBIV-RHSMWYFYSA-N 2 1 326.444 2.802 10 30 EFEEMP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001323540449 1329550324 /nfs/dbraw/zinc/55/03/24/1329550324.db2.gz CUHBCNZVAGSJHP-BEFAXECRSA-N 2 1 339.499 2.792 10 30 EFEEMP CC#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC2)C1 ZINC001323637358 1329556875 /nfs/dbraw/zinc/55/68/75/1329556875.db2.gz KXBIOARYMHODOE-VQTJNVASSA-N 2 1 347.547 2.691 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001323643010 1329558205 /nfs/dbraw/zinc/55/82/05/1329558205.db2.gz OSROERJPIYFXJS-MOPGFXCFSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001323644745 1329558727 /nfs/dbraw/zinc/55/87/27/1329558727.db2.gz WNVYLIOHVJMLJQ-WOJBJXKFSA-N 2 1 347.547 2.997 10 30 EFEEMP C#CC[NH+](CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CCCCCC1 ZINC001323709238 1329563964 /nfs/dbraw/zinc/56/39/64/1329563964.db2.gz XTWZQGLTXOPAJL-SFHVURJKSA-N 2 1 333.520 2.635 10 30 EFEEMP C#CC[N@@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)C1CCCCCC1 ZINC001323709238 1329563966 /nfs/dbraw/zinc/56/39/66/1329563966.db2.gz XTWZQGLTXOPAJL-SFHVURJKSA-N 2 1 333.520 2.635 10 30 EFEEMP C#CC[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)C1CCCCCC1 ZINC001323709238 1329563968 /nfs/dbraw/zinc/56/39/68/1329563968.db2.gz XTWZQGLTXOPAJL-SFHVURJKSA-N 2 1 333.520 2.635 10 30 EFEEMP 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30 EFEEMP C=C(C)CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001327257084 1330448038 /nfs/dbraw/zinc/44/80/38/1330448038.db2.gz BCGLWRWDBYTOAK-QGZVFWFLSA-N 2 1 332.492 2.500 10 30 EFEEMP C=C(C)CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001327257084 1330448040 /nfs/dbraw/zinc/44/80/40/1330448040.db2.gz BCGLWRWDBYTOAK-QGZVFWFLSA-N 2 1 332.492 2.500 10 30 EFEEMP C=CCC[N@H+](C)CCCN(C)C(=O)Cc1cn2cccc(C)c2n1 ZINC001327271969 1330450083 /nfs/dbraw/zinc/45/00/83/1330450083.db2.gz UBBFQCMWKRLCGC-UHFFFAOYSA-N 2 1 328.460 2.542 10 30 EFEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)N(C)C)C(C)(C)C1 ZINC001328099343 1330555722 /nfs/dbraw/zinc/55/57/22/1330555722.db2.gz UFCZYNLDBKGZBR-MSOLQXFVSA-N 2 1 329.488 2.692 10 30 EFEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001328099343 1330555726 /nfs/dbraw/zinc/55/57/26/1330555726.db2.gz UFCZYNLDBKGZBR-MSOLQXFVSA-N 2 1 329.488 2.692 10 30 EFEEMP CC#CC[N@H+](CC)CC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001328588399 1330605528 /nfs/dbraw/zinc/60/55/28/1330605528.db2.gz DWTSHKAAPOMYSA-UHFFFAOYSA-N 2 1 347.547 2.836 10 30 EFEEMP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001328686594 1330616167 /nfs/dbraw/zinc/61/61/67/1330616167.db2.gz JEBGDQZYQQZPJQ-YFVAEKQCSA-N 2 1 341.499 2.809 10 30 EFEEMP C=CCC[C@H](C)[NH2+]CC1(NC(=O)Cn2c[nH+]cc2C)CCCCC1 ZINC001329837181 1330741839 /nfs/dbraw/zinc/74/18/39/1330741839.db2.gz DTVPCONUQJCJRI-INIZCTEOSA-N 2 1 332.492 2.955 10 30 EFEEMP C=CCC[NH2+]CC1(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CCCCC1 ZINC001329846374 1330742356 /nfs/dbraw/zinc/74/23/56/1330742356.db2.gz RUSNXTYSYOMPMM-KRWDZBQOSA-N 2 1 344.503 2.739 10 30 EFEEMP C=CCCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001330513877 1330763746 /nfs/dbraw/zinc/76/37/46/1330763746.db2.gz FKRFHIBZRBMJRT-GOSISDBHSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001330513877 1330763747 /nfs/dbraw/zinc/76/37/47/1330763747.db2.gz FKRFHIBZRBMJRT-GOSISDBHSA-N 2 1 333.520 2.751 10 30 EFEEMP CC#CC[NH2+][C@H](CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C(C)C ZINC001331211412 1330805746 /nfs/dbraw/zinc/80/57/46/1330805746.db2.gz JQRWIUOLKLSNGT-WOJBJXKFSA-N 2 1 347.547 2.927 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001331318313 1330821175 /nfs/dbraw/zinc/82/11/75/1330821175.db2.gz KHTQRNSDJPRJKL-MJGOQNOKSA-N 2 1 344.503 2.547 10 30 EFEEMP C=CCCC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001332089820 1330916607 /nfs/dbraw/zinc/91/66/07/1330916607.db2.gz KSKQESZMWAJFAE-JRBPQWBISA-N 2 1 333.520 2.796 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001332089820 1330916612 /nfs/dbraw/zinc/91/66/12/1330916612.db2.gz KSKQESZMWAJFAE-JRBPQWBISA-N 2 1 333.520 2.796 10 30 EFEEMP C=CCCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001332089820 1330916615 /nfs/dbraw/zinc/91/66/15/1330916615.db2.gz KSKQESZMWAJFAE-JRBPQWBISA-N 2 1 333.520 2.796 10 30 EFEEMP C#CCC[N@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CCCCC3)CCC[C@H]12 ZINC001332099849 1330918963 /nfs/dbraw/zinc/91/89/63/1330918963.db2.gz LAWVYCMESNZVLI-RXVVDRJESA-N 2 1 345.531 2.635 10 30 EFEEMP CC#CC[N@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C3CCCCC3)CCC[C@H]12 ZINC001332101298 1330920511 /nfs/dbraw/zinc/92/05/11/1330920511.db2.gz SXPJDTUNRWGNOK-FPOVZHCZSA-N 2 1 345.531 2.778 10 30 EFEEMP CC#CC[NH+]1CC[C@@]2(NC(=O)CC[N@H+](C)C3CCCCC3)CCC[C@H]12 ZINC001332101298 1330920514 /nfs/dbraw/zinc/92/05/14/1330920514.db2.gz SXPJDTUNRWGNOK-FPOVZHCZSA-N 2 1 345.531 2.778 10 30 EFEEMP CC#CC[NH+]1CC[C@@]2(NC(=O)CC[N@@H+](C)C3CCCCC3)CCC[C@H]12 ZINC001332101298 1330920516 /nfs/dbraw/zinc/92/05/16/1330920516.db2.gz SXPJDTUNRWGNOK-FPOVZHCZSA-N 2 1 345.531 2.778 10 30 EFEEMP C=CCC[NH2+]C[C@@H](NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)(C)C ZINC001332859665 1331032410 /nfs/dbraw/zinc/03/24/10/1331032410.db2.gz ZAFZARKAMUZLEE-BEFAXECRSA-N 2 1 341.515 2.896 10 30 EFEEMP C=CCC[NH2+]C[C@H](NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)(C)C ZINC001332859668 1331032660 /nfs/dbraw/zinc/03/26/60/1331032660.db2.gz ZAFZARKAMUZLEE-KXBFYZLASA-N 2 1 341.515 2.896 10 30 EFEEMP C=CC[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001332960058 1331054453 /nfs/dbraw/zinc/05/44/53/1331054453.db2.gz LDYMTESRCJWQGT-GOSISDBHSA-N 2 1 343.515 2.564 10 30 EFEEMP C=CCC[NH+]1CCC([C@H](C)NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001333016169 1331065533 /nfs/dbraw/zinc/06/55/33/1331065533.db2.gz XGYHABCMQGXVGS-SFHVURJKSA-N 2 1 343.515 2.911 10 30 EFEEMP C=CCC[NH+]1CCC([C@H](C)NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001333016169 1331065535 /nfs/dbraw/zinc/06/55/35/1331065535.db2.gz XGYHABCMQGXVGS-SFHVURJKSA-N 2 1 343.515 2.911 10 30 EFEEMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)c(F)c1 ZINC001333473046 1331152029 /nfs/dbraw/zinc/15/20/29/1331152029.db2.gz JPSOKTVCUUQRIL-IBGZPJMESA-N 2 1 347.478 2.838 10 30 EFEEMP C=CCCCCCCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001335526095 1331367929 /nfs/dbraw/zinc/36/79/29/1331367929.db2.gz UGOIQYYGVATTQN-KDURUIRLSA-N 2 1 348.535 2.733 10 30 EFEEMP CC(=NNCCCn1ccnc1)c1ccc(N2CCCC2)cc1O ZINC000848419017 1334714162 /nfs/dbraw/zinc/71/41/62/1334714162.db2.gz UIXXFNRSYYEWSX-UHFFFAOYSA-N 2 1 327.432 2.593 10 30 EFEEMP C=CC[NH+](CC=C)[C@H](CNC(=O)c1csc([C@@H](C)[NH3+])n1)C(C)C ZINC001357362731 1335305192 /nfs/dbraw/zinc/30/51/92/1335305192.db2.gz UHJIMQNEMHRMOS-UKRRQHHQSA-N 2 1 336.505 2.591 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001366830826 1338084491 /nfs/dbraw/zinc/08/44/91/1338084491.db2.gz ANBWZTKOOWUQMC-SJORKVTESA-N 2 1 341.927 2.689 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001366830826 1338084503 /nfs/dbraw/zinc/08/45/03/1338084503.db2.gz ANBWZTKOOWUQMC-SJORKVTESA-N 2 1 341.927 2.689 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001366830826 1338084520 /nfs/dbraw/zinc/08/45/20/1338084520.db2.gz ANBWZTKOOWUQMC-SJORKVTESA-N 2 1 341.927 2.689 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001368417120 1339350939 /nfs/dbraw/zinc/35/09/39/1339350939.db2.gz WDNBBASKIRNHIJ-WMLDXEAASA-N 2 1 335.879 2.658 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1CC ZINC001368703155 1339621060 /nfs/dbraw/zinc/62/10/60/1339621060.db2.gz WDMFDUMRZHNIOI-LSDHHAIUSA-N 2 1 329.916 2.686 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1CC ZINC001368703155 1339621067 /nfs/dbraw/zinc/62/10/67/1339621067.db2.gz WDMFDUMRZHNIOI-LSDHHAIUSA-N 2 1 329.916 2.686 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H]1CC ZINC001368703155 1339621071 /nfs/dbraw/zinc/62/10/71/1339621071.db2.gz WDMFDUMRZHNIOI-LSDHHAIUSA-N 2 1 329.916 2.686 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1CC ZINC001368703155 1339621077 /nfs/dbraw/zinc/62/10/77/1339621077.db2.gz WDMFDUMRZHNIOI-LSDHHAIUSA-N 2 1 329.916 2.686 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001370778136 1340205212 /nfs/dbraw/zinc/20/52/12/1340205212.db2.gz QQYVSTUFMIBORJ-SJORKVTESA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001370778136 1340205215 /nfs/dbraw/zinc/20/52/15/1340205215.db2.gz QQYVSTUFMIBORJ-SJORKVTESA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001376294051 1343463533 /nfs/dbraw/zinc/46/35/33/1343463533.db2.gz SYCIQGOZUACHCO-YESZJQIVSA-N 2 1 341.927 2.640 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001376565903 1343683028 /nfs/dbraw/zinc/68/30/28/1343683028.db2.gz GREIHCRPRIOTEJ-WMZOPIPTSA-N 2 1 349.906 2.870 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001376565893 1343683052 /nfs/dbraw/zinc/68/30/52/1343683052.db2.gz GREIHCRPRIOTEJ-SJLPKXTDSA-N 2 1 349.906 2.870 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001377030893 1344076671 /nfs/dbraw/zinc/07/66/71/1344076671.db2.gz JEXWSWXYOBYMBJ-DLBZAZTESA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001377774398 1344423200 /nfs/dbraw/zinc/42/32/00/1344423200.db2.gz XOCSCDBOXJYJTB-CVEARBPZSA-N 2 1 329.916 2.640 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001393882221 1357248789 /nfs/dbraw/zinc/24/87/89/1357248789.db2.gz KFXTYFJCQSEDJN-CVEARBPZSA-N 2 1 329.916 2.782 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001393882221 1357248795 /nfs/dbraw/zinc/24/87/95/1357248795.db2.gz KFXTYFJCQSEDJN-CVEARBPZSA-N 2 1 329.916 2.782 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001379612155 1345926543 /nfs/dbraw/zinc/92/65/43/1345926543.db2.gz CXVHDBLTCAIPNN-SJLPKXTDSA-N 2 1 339.911 2.728 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001379612155 1345926544 /nfs/dbraw/zinc/92/65/44/1345926544.db2.gz CXVHDBLTCAIPNN-SJLPKXTDSA-N 2 1 339.911 2.728 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[N@H+](C)CCC)C2 ZINC001381033487 1348034397 /nfs/dbraw/zinc/03/43/97/1348034397.db2.gz URYQOIGRLHQAOP-SFHVURJKSA-N 2 1 341.927 2.785 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)CCC)C2 ZINC001381033487 1348034399 /nfs/dbraw/zinc/03/43/99/1348034399.db2.gz URYQOIGRLHQAOP-SFHVURJKSA-N 2 1 341.927 2.785 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)CCC)C2 ZINC001381033487 1348034401 /nfs/dbraw/zinc/03/44/01/1348034401.db2.gz URYQOIGRLHQAOP-SFHVURJKSA-N 2 1 341.927 2.785 10 30 EFEEMP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001381129912 1348097787 /nfs/dbraw/zinc/09/77/87/1348097787.db2.gz XXGYTCCITSXNBA-UHFFFAOYSA-N 2 1 329.916 2.688 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(C)C ZINC001381995626 1348648597 /nfs/dbraw/zinc/64/85/97/1348648597.db2.gz JNXFXXKMCLJCTK-ARFHVFGLSA-N 2 1 329.916 2.590 10 30 EFEEMP CC(C)[N@@H+](C)CC(=O)N[C@H](C[NH2+]Cc1cccc(C#N)c1)C(C)(C)C ZINC001382542027 1349007860 /nfs/dbraw/zinc/00/78/60/1349007860.db2.gz SNQHTKKEMTWKQP-GOSISDBHSA-N 2 1 344.503 2.519 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC001392247678 1355905042 /nfs/dbraw/zinc/90/50/42/1355905042.db2.gz DVEVYLKFLICFKJ-IAGOWNOFSA-N 2 1 337.895 2.772 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)C1 ZINC001392962546 1356469582 /nfs/dbraw/zinc/46/95/82/1356469582.db2.gz OLKAOHLPJFSXNV-SJORKVTESA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001392962546 1356469585 /nfs/dbraw/zinc/46/95/85/1356469585.db2.gz OLKAOHLPJFSXNV-SJORKVTESA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001392962546 1356469587 /nfs/dbraw/zinc/46/95/87/1356469587.db2.gz OLKAOHLPJFSXNV-SJORKVTESA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C1CCCC1 ZINC001393074198 1356562991 /nfs/dbraw/zinc/56/29/91/1356562991.db2.gz UQNNBLLECSGDNL-SJORKVTESA-N 2 1 341.927 2.878 10 30 EFEEMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001394847850 1358153084 /nfs/dbraw/zinc/15/30/84/1358153084.db2.gz PUUSPHLDDOMUIN-GDBMZVCRSA-N 2 1 329.916 2.542 10 30 EFEEMP C=C(Cl)CN1CCC(N(CCC)C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001398370493 1360492406 /nfs/dbraw/zinc/49/24/06/1360492406.db2.gz BXVNHQRMALIZNV-UHFFFAOYSA-N 2 1 329.916 2.782 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001398752261 1360762976 /nfs/dbraw/zinc/76/29/76/1360762976.db2.gz BXHFPCSMKYUQAC-DLBZAZTESA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001400243346 1361877664 /nfs/dbraw/zinc/87/76/64/1361877664.db2.gz UUHGTOYVVLPLQE-SJORKVTESA-N 2 1 341.927 2.640 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001400243346 1361877667 /nfs/dbraw/zinc/87/76/67/1361877667.db2.gz UUHGTOYVVLPLQE-SJORKVTESA-N 2 1 341.927 2.640 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001400243346 1361877671 /nfs/dbraw/zinc/87/76/71/1361877671.db2.gz UUHGTOYVVLPLQE-SJORKVTESA-N 2 1 341.927 2.640 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001401643765 1362994075 /nfs/dbraw/zinc/99/40/75/1362994075.db2.gz NGHTZWLLRBNDGH-ZBFHGGJFSA-N 2 1 327.900 2.630 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C1CC1 ZINC001401846549 1363182890 /nfs/dbraw/zinc/18/28/90/1363182890.db2.gz GVQUMNVCTANXAO-MRXNPFEDSA-N 2 1 341.927 2.876 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001402066094 1363372151 /nfs/dbraw/zinc/37/21/51/1363372151.db2.gz YVWLXNQDBUTJSB-IRXDYDNUSA-N 2 1 339.911 2.727 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C1CCCC1 ZINC001402107975 1363414895 /nfs/dbraw/zinc/41/48/95/1363414895.db2.gz RDSOTUZBAHYHKW-IAGOWNOFSA-N 2 1 341.927 2.878 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001402918161 1364134497 /nfs/dbraw/zinc/13/44/97/1364134497.db2.gz BHMJMTRZSGGDCE-SJORKVTESA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001402918161 1364134501 /nfs/dbraw/zinc/13/45/01/1364134501.db2.gz BHMJMTRZSGGDCE-SJORKVTESA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001402926490 1364141493 /nfs/dbraw/zinc/14/14/93/1364141493.db2.gz GEHBWISJWXHGPW-KRWDZBQOSA-N 2 1 341.927 2.641 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC001403807260 1364962095 /nfs/dbraw/zinc/96/20/95/1364962095.db2.gz TWFJDTSRTPVYJA-ZWKOTPCHSA-N 2 1 349.906 2.540 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001404326149 1365451874 /nfs/dbraw/zinc/45/18/74/1365451874.db2.gz GBLXYVKKZKYVLT-DOTOQJQBSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001404326152 1365452088 /nfs/dbraw/zinc/45/20/88/1365452088.db2.gz GBLXYVKKZKYVLT-NVXWUHKLSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001408006859 1369521319 /nfs/dbraw/zinc/52/13/19/1369521319.db2.gz VXTHBWWXSONGBX-IYBDPMFKSA-N 2 1 341.927 2.973 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)CC(C)(C)C1 ZINC001417863711 1373356748 /nfs/dbraw/zinc/35/67/48/1373356748.db2.gz VHJNCTMDYOBZFJ-OAHLLOKOSA-N 2 1 329.916 2.688 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001418022177 1373534268 /nfs/dbraw/zinc/53/42/68/1373534268.db2.gz RPAUGOFZJFTZLS-IRXDYDNUSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001418022177 1373534270 /nfs/dbraw/zinc/53/42/70/1373534270.db2.gz RPAUGOFZJFTZLS-IRXDYDNUSA-N 2 1 341.927 2.784 10 30 EFEEMP 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JAPWKZDVASTBGW-WBVHZDCISA-N 2 1 347.906 2.637 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001423686051 1382287728 /nfs/dbraw/zinc/28/77/28/1382287728.db2.gz JAPWKZDVASTBGW-WBVHZDCISA-N 2 1 347.906 2.637 10 30 EFEEMP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001424493854 1383048121 /nfs/dbraw/zinc/04/81/21/1383048121.db2.gz MXQMUJQKUDTDIY-MRXNPFEDSA-N 2 1 341.927 2.973 10 30 EFEEMP CC(C)[N@@H+](C)CC(=O)N[C@H](C[NH2+]Cc1ccc(C#N)cc1)C(C)(C)C ZINC001426160895 1384036210 /nfs/dbraw/zinc/03/62/10/1384036210.db2.gz DRVMKRJDLXXFPN-GOSISDBHSA-N 2 1 344.503 2.519 10 30 EFEEMP C=CCCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C(C)(C)C1 ZINC001506753506 1406258414 /nfs/dbraw/zinc/25/84/14/1406258414.db2.gz PUEQICWSDLLAGM-IBGZPJMESA-N 2 1 343.515 2.911 10 30 EFEEMP C=CCCC[NH+]1C[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C(C)(C)C1 ZINC001506753506 1406258421 /nfs/dbraw/zinc/25/84/21/1406258421.db2.gz PUEQICWSDLLAGM-IBGZPJMESA-N 2 1 343.515 2.911 10 30 EFEEMP C=CCCC[N@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C(C)(C)C1 ZINC001506753506 1406258424 /nfs/dbraw/zinc/25/84/24/1406258424.db2.gz PUEQICWSDLLAGM-IBGZPJMESA-N 2 1 343.515 2.911 10 30 EFEEMP C=CCCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C(C)(C)C1 ZINC001506753506 1406258428 /nfs/dbraw/zinc/25/84/28/1406258428.db2.gz PUEQICWSDLLAGM-IBGZPJMESA-N 2 1 343.515 2.911 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001440266740 1389490589 /nfs/dbraw/zinc/49/05/89/1389490589.db2.gz GTJLGURJSGHOOL-HZPDHXFCSA-N 2 1 327.900 2.582 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)C34CC[NH+](CC3)C4)C[C@@]2(C)C1 ZINC001506870398 1406387326 /nfs/dbraw/zinc/38/73/26/1406387326.db2.gz NAVVKBDXYJEMLX-RLLQIKCJSA-N 2 1 345.531 2.607 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001440414104 1389611971 /nfs/dbraw/zinc/61/19/71/1389611971.db2.gz JBQJSZQQYQUOAF-BSWAZPDLSA-N 2 1 341.927 2.686 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)[C@H]21 ZINC001440436424 1389634968 /nfs/dbraw/zinc/63/49/68/1389634968.db2.gz FQSPDRYZUUARKF-OIISXLGYSA-N 2 1 341.927 2.686 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)[C@H]21 ZINC001440436424 1389634969 /nfs/dbraw/zinc/63/49/69/1389634969.db2.gz FQSPDRYZUUARKF-OIISXLGYSA-N 2 1 341.927 2.686 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001440731450 1389852352 /nfs/dbraw/zinc/85/23/52/1389852352.db2.gz JRNDZKDZRDNNEH-HZPDHXFCSA-N 2 1 327.900 2.535 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001440731450 1389852355 /nfs/dbraw/zinc/85/23/55/1389852355.db2.gz JRNDZKDZRDNNEH-HZPDHXFCSA-N 2 1 327.900 2.535 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001440731450 1389852358 /nfs/dbraw/zinc/85/23/58/1389852358.db2.gz JRNDZKDZRDNNEH-HZPDHXFCSA-N 2 1 327.900 2.535 10 30 EFEEMP 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C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001507021951 1406602051 /nfs/dbraw/zinc/60/20/51/1406602051.db2.gz JAHFYTKMNZJYDJ-RTBURBONSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001507021948 1406602627 /nfs/dbraw/zinc/60/26/27/1406602627.db2.gz JAHFYTKMNZJYDJ-RBUKOAKNSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CC[C@@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001460362716 1396028966 /nfs/dbraw/zinc/02/89/66/1396028966.db2.gz OIGPUMCEUQOHCY-IEBWSBKVSA-N 2 1 329.488 2.694 10 30 EFEEMP C=CC[C@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001460362718 1396029638 /nfs/dbraw/zinc/02/96/38/1396029638.db2.gz OIGPUMCEUQOHCY-PKOBYXMFSA-N 2 1 329.488 2.694 10 30 EFEEMP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001467407613 1396851853 /nfs/dbraw/zinc/85/18/53/1396851853.db2.gz BAIZNUHMHFBPOU-GOSISDBHSA-N 2 1 329.488 2.521 10 30 EFEEMP C=C(C)CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001479423760 1397722991 /nfs/dbraw/zinc/72/29/91/1397722991.db2.gz BEIHQQNDXBASPJ-ZCNNSNEGSA-N 2 1 343.515 2.877 10 30 EFEEMP C=CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001479501652 1397739152 /nfs/dbraw/zinc/73/91/52/1397739152.db2.gz LWYYZHCEWHUMMU-MOPGFXCFSA-N 2 1 347.547 2.997 10 30 EFEEMP C=C(C)CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001479734537 1397788635 /nfs/dbraw/zinc/78/86/35/1397788635.db2.gz GJKGTCBAJKIFEZ-GBESFXJTSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001479734537 1397788637 /nfs/dbraw/zinc/78/86/37/1397788637.db2.gz GJKGTCBAJKIFEZ-GBESFXJTSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001479734537 1397788640 /nfs/dbraw/zinc/78/86/40/1397788640.db2.gz GJKGTCBAJKIFEZ-GBESFXJTSA-N 2 1 335.536 2.996 10 30 EFEEMP CC#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001479740396 1397794450 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C=CCCCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001501417516 1403597357 /nfs/dbraw/zinc/59/73/57/1403597357.db2.gz DRFRBEKSHZEWLR-IYWMVGAKSA-N 2 1 347.547 2.996 10 30 EFEEMP C=CCCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001501619504 1403649889 /nfs/dbraw/zinc/64/98/89/1403649889.db2.gz ULNZTGRVPZUCSU-ZWKOTPCHSA-N 2 1 344.503 2.548 10 30 EFEEMP C=C(C)C[NH+](C)Cc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001501668725 1403691507 /nfs/dbraw/zinc/69/15/07/1403691507.db2.gz LDBPIZTWXLXBTQ-QGZVFWFLSA-N 2 1 329.488 2.653 10 30 EFEEMP C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001501668725 1403691529 /nfs/dbraw/zinc/69/15/29/1403691529.db2.gz LDBPIZTWXLXBTQ-QGZVFWFLSA-N 2 1 329.488 2.653 10 30 EFEEMP C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001501668725 1403691538 /nfs/dbraw/zinc/69/15/38/1403691538.db2.gz LDBPIZTWXLXBTQ-QGZVFWFLSA-N 2 1 329.488 2.653 10 30 EFEEMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001501696836 1403728709 /nfs/dbraw/zinc/72/87/09/1403728709.db2.gz KTWQHCKHFFUIIK-GUDVDZBRSA-N 2 1 345.531 2.539 10 30 EFEEMP C=C(C)C[N@@H+]1CCc2c(CNC(=O)C3([NH+](C)C)CCC3)cccc2C1 ZINC001501854061 1403827511 /nfs/dbraw/zinc/82/75/11/1403827511.db2.gz KKCGCJJHQAZOTR-UHFFFAOYSA-N 2 1 341.499 2.721 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001502126450 1404021046 /nfs/dbraw/zinc/02/10/46/1404021046.db2.gz YKAYPWIJIPCGCV-HOTGVXAUSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001502126450 1404021052 /nfs/dbraw/zinc/02/10/52/1404021052.db2.gz YKAYPWIJIPCGCV-HOTGVXAUSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001502126450 1404021039 /nfs/dbraw/zinc/02/10/39/1404021039.db2.gz YKAYPWIJIPCGCV-HOTGVXAUSA-N 2 1 327.900 2.584 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001502137286 1404035689 /nfs/dbraw/zinc/03/56/89/1404035689.db2.gz GLHCPCBUXSTCTO-MSOLQXFVSA-N 2 1 344.503 2.691 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001502137286 1404035696 /nfs/dbraw/zinc/03/56/96/1404035696.db2.gz GLHCPCBUXSTCTO-MSOLQXFVSA-N 2 1 344.503 2.691 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001502137290 1404035832 /nfs/dbraw/zinc/03/58/32/1404035832.db2.gz GLHCPCBUXSTCTO-ROUUACIJSA-N 2 1 344.503 2.691 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001502137290 1404035839 /nfs/dbraw/zinc/03/58/39/1404035839.db2.gz GLHCPCBUXSTCTO-ROUUACIJSA-N 2 1 344.503 2.691 10 30 EFEEMP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001502404331 1404144125 /nfs/dbraw/zinc/14/41/25/1404144125.db2.gz FQXSRYHZLLIFJT-RBUKOAKNSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCCC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001502545671 1404236020 /nfs/dbraw/zinc/23/60/20/1404236020.db2.gz FKBFJCWRGOYSNW-ICSRJNTNSA-N 2 1 333.520 2.609 10 30 EFEEMP C=CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001502545671 1404236027 /nfs/dbraw/zinc/23/60/27/1404236027.db2.gz FKBFJCWRGOYSNW-ICSRJNTNSA-N 2 1 333.520 2.609 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001502545671 1404236033 /nfs/dbraw/zinc/23/60/33/1404236033.db2.gz FKBFJCWRGOYSNW-ICSRJNTNSA-N 2 1 333.520 2.609 10 30 EFEEMP C=CCCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001502761459 1404329641 /nfs/dbraw/zinc/32/96/41/1404329641.db2.gz AQECTCPXWVRXTO-MJGOQNOKSA-N 2 1 329.488 2.521 10 30 EFEEMP C=CCCC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001502761459 1404329647 /nfs/dbraw/zinc/32/96/47/1404329647.db2.gz AQECTCPXWVRXTO-MJGOQNOKSA-N 2 1 329.488 2.521 10 30 EFEEMP CC#CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C(C)(C)C1 ZINC001502830010 1404382545 /nfs/dbraw/zinc/38/25/45/1404382545.db2.gz CHHSFMAXZNFVAF-IBGZPJMESA-N 2 1 347.547 2.881 10 30 EFEEMP CC#CC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C(C)(C)C1 ZINC001502830010 1404382551 /nfs/dbraw/zinc/38/25/51/1404382551.db2.gz CHHSFMAXZNFVAF-IBGZPJMESA-N 2 1 347.547 2.881 10 30 EFEEMP CC#CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C(C)(C)C1 ZINC001502830010 1404382559 /nfs/dbraw/zinc/38/25/59/1404382559.db2.gz CHHSFMAXZNFVAF-IBGZPJMESA-N 2 1 347.547 2.881 10 30 EFEEMP C=CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001503691267 1404500240 /nfs/dbraw/zinc/50/02/40/1404500240.db2.gz LLGXKOOTBNYLMA-MOPGFXCFSA-N 2 1 329.488 2.618 10 30 EFEEMP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001505396362 1404548003 /nfs/dbraw/zinc/54/80/03/1404548003.db2.gz GWAUIJGZZUTXBE-IBGZPJMESA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[NH+](CC)CC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001505396362 1404548009 /nfs/dbraw/zinc/54/80/09/1404548009.db2.gz GWAUIJGZZUTXBE-IBGZPJMESA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[NH+](CC)CC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001505396362 1404548014 /nfs/dbraw/zinc/54/80/14/1404548014.db2.gz GWAUIJGZZUTXBE-IBGZPJMESA-N 2 1 335.536 2.997 10 30 EFEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001505431539 1404594308 /nfs/dbraw/zinc/59/43/08/1404594308.db2.gz XODPVWHYZJSVOM-ICSRJNTNSA-N 2 1 345.531 2.587 10 30 EFEEMP CC#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001505431539 1404594312 /nfs/dbraw/zinc/59/43/12/1404594312.db2.gz XODPVWHYZJSVOM-ICSRJNTNSA-N 2 1 345.531 2.587 10 30 EFEEMP CC#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001505431539 1404594314 /nfs/dbraw/zinc/59/43/14/1404594314.db2.gz XODPVWHYZJSVOM-ICSRJNTNSA-N 2 1 345.531 2.587 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001505471886 1404706749 /nfs/dbraw/zinc/70/67/49/1404706749.db2.gz COLYPIWZUMYHQH-MOPGFXCFSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001505537554 1404747582 /nfs/dbraw/zinc/74/75/82/1404747582.db2.gz CSBYYSKJIAQTHT-BDVYOWHSSA-N 2 1 335.879 2.526 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)CCCC2CCCC2)CC1 ZINC001506064826 1405423844 /nfs/dbraw/zinc/42/38/44/1405423844.db2.gz DFBMBUQFCHNCPZ-SFHVURJKSA-N 2 1 347.547 2.739 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001565831678 1415425549 /nfs/dbraw/zinc/42/55/49/1415425549.db2.gz LEBITJRJIWFPRN-LJQANCHMSA-N 2 1 333.520 2.607 10 30 EFEEMP C#CCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001565940818 1415458663 /nfs/dbraw/zinc/45/86/63/1415458663.db2.gz DLSCGRLTFHLREY-PKOBYXMFSA-N 2 1 344.503 2.602 10 30 EFEEMP C=C(Cl)C[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CC[N@H+](C)CC ZINC001565942365 1415460991 /nfs/dbraw/zinc/46/09/91/1415460991.db2.gz YELKKVSXRPBXLR-HOCLYGCPSA-N 2 1 329.916 2.688 10 30 EFEEMP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001565986680 1415471030 /nfs/dbraw/zinc/47/10/30/1415471030.db2.gz JUEHMJBYXOKKDI-IPMKNSEASA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3ncc[nH]3)C(C)(C)[C@H]21 ZINC001565994740 1415474999 /nfs/dbraw/zinc/47/49/99/1415474999.db2.gz JWRHWNZGXBVUAO-OLMNPRSZSA-N 2 1 330.476 2.524 10 30 EFEEMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1C(F)(F)F ZINC001566002270 1415478963 /nfs/dbraw/zinc/47/89/63/1415478963.db2.gz VTYOLRLXDNLBFO-CABCVRRESA-N 2 1 349.441 2.519 10 30 EFEEMP C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001566123594 1415522457 /nfs/dbraw/zinc/52/24/57/1415522457.db2.gz REWNYGBJWAHSNL-SFHVURJKSA-N 2 1 332.492 2.861 10 30 EFEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001566123594 1415522460 /nfs/dbraw/zinc/52/24/60/1415522460.db2.gz REWNYGBJWAHSNL-SFHVURJKSA-N 2 1 332.492 2.861 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001566672270 1415724888 /nfs/dbraw/zinc/72/48/88/1415724888.db2.gz OPOYJLVQZQBGFB-QZTJIDSGSA-N 2 1 344.503 2.691 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001566672270 1415724891 /nfs/dbraw/zinc/72/48/91/1415724891.db2.gz OPOYJLVQZQBGFB-QZTJIDSGSA-N 2 1 344.503 2.691 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCCCCC)CC2 ZINC001566689839 1415732604 /nfs/dbraw/zinc/73/26/04/1415732604.db2.gz VQKMYBRABMZIIY-OALUTQOASA-N 2 1 345.531 2.635 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCCCCC)CC2 ZINC001566689839 1415732608 /nfs/dbraw/zinc/73/26/08/1415732608.db2.gz VQKMYBRABMZIIY-OALUTQOASA-N 2 1 345.531 2.635 10 30 EFEEMP C=CCCC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001566697496 1415737035 /nfs/dbraw/zinc/73/70/35/1415737035.db2.gz BRDWXAKTJAQYRR-IEBWSBKVSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001566897174 1415830669 /nfs/dbraw/zinc/83/06/69/1415830669.db2.gz RYOKOBQSVBCGQU-JKSUJKDBSA-N 2 1 348.491 2.533 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CCCC(C)C)CC1 ZINC001566930390 1415854216 /nfs/dbraw/zinc/85/42/16/1415854216.db2.gz WMVDCBAGVWAHFG-FQEVSTJZSA-N 2 1 347.547 2.739 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CCCC(C)C)CC1 ZINC001566930391 1415854660 /nfs/dbraw/zinc/85/46/60/1415854660.db2.gz WMVDCBAGVWAHFG-HXUWFJFHSA-N 2 1 347.547 2.739 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc2ccccc2c1 ZINC001567023890 1415904917 /nfs/dbraw/zinc/90/49/17/1415904917.db2.gz BUKIOYDGIWLOER-UTKZUKDTSA-N 2 1 349.478 2.532 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc2ccccc2c1 ZINC001567023890 1415904920 /nfs/dbraw/zinc/90/49/20/1415904920.db2.gz BUKIOYDGIWLOER-UTKZUKDTSA-N 2 1 349.478 2.532 10 30 EFEEMP CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001567169753 1415967151 /nfs/dbraw/zinc/96/71/51/1415967151.db2.gz RKCAUMRNZZUBKZ-ZWKOTPCHSA-N 2 1 333.520 2.681 10 30 EFEEMP C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001567199070 1415991092 /nfs/dbraw/zinc/99/10/92/1415991092.db2.gz BWMWAFVRTAZIRT-LJQANCHMSA-N 2 1 335.536 2.996 10 30 EFEEMP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001567263707 1416040533 /nfs/dbraw/zinc/04/05/33/1416040533.db2.gz ZUNIKYWQEYAWKN-RBUKOAKNSA-N 2 1 333.520 2.633 10 30 EFEEMP CC#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001567263707 1416040539 /nfs/dbraw/zinc/04/05/39/1416040539.db2.gz ZUNIKYWQEYAWKN-RBUKOAKNSA-N 2 1 333.520 2.633 10 30 EFEEMP CC#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001567263707 1416040546 /nfs/dbraw/zinc/04/05/46/1416040546.db2.gz ZUNIKYWQEYAWKN-RBUKOAKNSA-N 2 1 333.520 2.633 10 30 EFEEMP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001567263705 1416041374 /nfs/dbraw/zinc/04/13/74/1416041374.db2.gz ZUNIKYWQEYAWKN-MOPGFXCFSA-N 2 1 333.520 2.633 10 30 EFEEMP CC#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001567263705 1416041380 /nfs/dbraw/zinc/04/13/80/1416041380.db2.gz ZUNIKYWQEYAWKN-MOPGFXCFSA-N 2 1 333.520 2.633 10 30 EFEEMP CC#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001567263705 1416041388 /nfs/dbraw/zinc/04/13/88/1416041388.db2.gz ZUNIKYWQEYAWKN-MOPGFXCFSA-N 2 1 333.520 2.633 10 30 EFEEMP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001567265938 1416044268 /nfs/dbraw/zinc/04/42/68/1416044268.db2.gz DTAGIENWVKCLRE-VQTJNVASSA-N 2 1 347.547 2.881 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001567416438 1416127364 /nfs/dbraw/zinc/12/73/64/1416127364.db2.gz ZPKOHCIKYGKMMC-QZTJIDSGSA-N 2 1 335.536 2.900 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC1CCCCC1)C(C)C ZINC001567643428 1416225068 /nfs/dbraw/zinc/22/50/68/1416225068.db2.gz NIWPJQABLSEFCO-FQEVSTJZSA-N 2 1 347.547 2.881 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC1CCCCC1)C(C)C ZINC001567643428 1416225070 /nfs/dbraw/zinc/22/50/70/1416225070.db2.gz NIWPJQABLSEFCO-FQEVSTJZSA-N 2 1 347.547 2.881 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC1CCCCC1)C(C)C ZINC001567643428 1416225073 /nfs/dbraw/zinc/22/50/73/1416225073.db2.gz NIWPJQABLSEFCO-FQEVSTJZSA-N 2 1 347.547 2.881 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC1CCCCC1)C(C)C ZINC001567643428 1416225075 /nfs/dbraw/zinc/22/50/75/1416225075.db2.gz NIWPJQABLSEFCO-FQEVSTJZSA-N 2 1 347.547 2.881 10 30 EFEEMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001567660337 1416235094 /nfs/dbraw/zinc/23/50/94/1416235094.db2.gz YOXKQJVCKBAPPD-RTBURBONSA-N 2 1 329.488 2.884 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001567685215 1416246581 /nfs/dbraw/zinc/24/65/81/1416246581.db2.gz BJUBWDYRKBIGGY-RTBURBONSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[NH+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001567685215 1416246585 /nfs/dbraw/zinc/24/65/85/1416246585.db2.gz BJUBWDYRKBIGGY-RTBURBONSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[NH+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001567685215 1416246589 /nfs/dbraw/zinc/24/65/89/1416246589.db2.gz BJUBWDYRKBIGGY-RTBURBONSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001567715501 1416259398 /nfs/dbraw/zinc/25/93/98/1416259398.db2.gz KZRICKBHTIAFAT-RTBURBONSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001567734767 1416263546 /nfs/dbraw/zinc/26/35/46/1416263546.db2.gz FTLZXORFPLRKRP-GOSISDBHSA-N 2 1 343.515 2.761 10 30 EFEEMP C=CCC[N@H+](C)CC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001567748142 1416271193 /nfs/dbraw/zinc/27/11/93/1416271193.db2.gz ABTODNCRSLVQJN-UHFFFAOYSA-N 2 1 333.520 2.609 10 30 EFEEMP CC#CC[NH2+]C[C@@]1(NC(=O)C[N@@H+](C)CC(C)(C)C)CCCC[C@@H]1C ZINC001568040093 1416371752 /nfs/dbraw/zinc/37/17/52/1416371752.db2.gz JEPWDTGEANYMBN-PXNSSMCTSA-N 2 1 335.536 2.642 10 30 EFEEMP C=C(Cl)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001568056576 1416382630 /nfs/dbraw/zinc/38/26/30/1416382630.db2.gz GJVQUFABTAZABH-IRXDYDNUSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001568056574 1416382646 /nfs/dbraw/zinc/38/26/46/1416382646.db2.gz GJVQUFABTAZABH-DLBZAZTESA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[NH2+]CCC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001568087326 1416403514 /nfs/dbraw/zinc/40/35/14/1416403514.db2.gz AJSJVAWICSOMED-KRWDZBQOSA-N 2 1 341.927 2.832 10 30 EFEEMP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001568107435 1416412838 /nfs/dbraw/zinc/41/28/38/1416412838.db2.gz AZFLWBPHSFPCTH-QAQDUYKDSA-N 2 1 333.520 2.680 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)CC2 ZINC001568154976 1416427416 /nfs/dbraw/zinc/42/74/16/1416427416.db2.gz BKJZPJMSEKPHID-OALUTQOASA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCC2(C1)CCN(C(=O)C[N@H+]1CC[C@H](C)C1)CC2 ZINC001568154976 1416427419 /nfs/dbraw/zinc/42/74/19/1416427419.db2.gz BKJZPJMSEKPHID-OALUTQOASA-N 2 1 347.547 2.997 10 30 EFEEMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)CCCC[NH+]1CCCC1)CC2 ZINC001568158321 1416429338 /nfs/dbraw/zinc/42/93/38/1416429338.db2.gz NJAZPIRHKUIPFP-UHFFFAOYSA-N 2 1 345.531 2.590 10 30 EFEEMP C#CCC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)C1CC1 ZINC001689989093 1417122510 /nfs/dbraw/zinc/12/25/10/1417122510.db2.gz AFIICOFSBRCIKG-GOSISDBHSA-N 2 1 345.531 2.635 10 30 EFEEMP C#CCC[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001689989093 1417122513 /nfs/dbraw/zinc/12/25/13/1417122513.db2.gz AFIICOFSBRCIKG-GOSISDBHSA-N 2 1 345.531 2.635 10 30 EFEEMP C#CCC[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001689989093 1417122516 /nfs/dbraw/zinc/12/25/16/1417122516.db2.gz AFIICOFSBRCIKG-GOSISDBHSA-N 2 1 345.531 2.635 10 30 EFEEMP C=C(Cl)C[N@H+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001689994873 1417124871 /nfs/dbraw/zinc/12/48/71/1417124871.db2.gz MORYMXZLKUZWCO-IAGOWNOFSA-N 2 1 339.911 2.727 10 30 EFEEMP C=C(Cl)C[N@@H+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001689994873 1417124874 /nfs/dbraw/zinc/12/48/74/1417124874.db2.gz MORYMXZLKUZWCO-IAGOWNOFSA-N 2 1 339.911 2.727 10 30 EFEEMP C=C(Cl)C[NH+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C1CC1 ZINC001689994873 1417124876 /nfs/dbraw/zinc/12/48/76/1417124876.db2.gz MORYMXZLKUZWCO-IAGOWNOFSA-N 2 1 339.911 2.727 10 30 EFEEMP C=C(Cl)C[NH+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C1CC1 ZINC001689994873 1417124878 /nfs/dbraw/zinc/12/48/78/1417124878.db2.gz MORYMXZLKUZWCO-IAGOWNOFSA-N 2 1 339.911 2.727 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NCCC[C@H]2CCC[N@@H+]2CC=C(C)C)CC1 ZINC001690919359 1417246042 /nfs/dbraw/zinc/24/60/42/1417246042.db2.gz LTYUAMDPPBILBC-FQEVSTJZSA-N 2 1 345.531 2.659 10 30 EFEEMP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+](CCC)C1)c1ccccc1 ZINC001691791893 1417247717 /nfs/dbraw/zinc/24/77/17/1417247717.db2.gz JKMFLAIQJJOPAR-OALUTQOASA-N 2 1 329.488 2.742 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H]1C ZINC001692164340 1417257528 /nfs/dbraw/zinc/25/75/28/1417257528.db2.gz SZCKZQSIDMINED-ZACQAIPSSA-N 2 1 332.492 2.942 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H]1C ZINC001692164340 1417257532 /nfs/dbraw/zinc/25/75/32/1417257532.db2.gz SZCKZQSIDMINED-ZACQAIPSSA-N 2 1 332.492 2.942 10 30 EFEEMP C=CCCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001698951873 1417354819 /nfs/dbraw/zinc/35/48/19/1417354819.db2.gz MDZLKNVWQNDQLC-HXUWFJFHSA-N 2 1 347.547 2.855 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]21 ZINC001699008396 1417366747 /nfs/dbraw/zinc/36/67/47/1417366747.db2.gz IUBOGVXFAOFGHV-ROUUACIJSA-N 2 1 331.504 2.504 10 30 EFEEMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@H]21 ZINC001699011500 1417367166 /nfs/dbraw/zinc/36/71/66/1417367166.db2.gz ALYPNYNCUFSSSG-RTBURBONSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCC[N@H+]1CC[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@H]21 ZINC001699011499 1417367578 /nfs/dbraw/zinc/36/75/78/1417367578.db2.gz ALYPNYNCUFSSSG-RBUKOAKNSA-N 2 1 333.520 2.751 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC1CCC2(CC2)CC1 ZINC001699103914 1417390627 /nfs/dbraw/zinc/39/06/27/1417390627.db2.gz BVFBGEFKKDPBMJ-MJGOQNOKSA-N 2 1 345.531 2.539 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC1CCC2(CC2)CC1 ZINC001699103914 1417390635 /nfs/dbraw/zinc/39/06/35/1417390635.db2.gz BVFBGEFKKDPBMJ-MJGOQNOKSA-N 2 1 345.531 2.539 10 30 EFEEMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001699672805 1417445913 /nfs/dbraw/zinc/44/59/13/1417445913.db2.gz FITVQLMJEFABSQ-WOJBJXKFSA-N 2 1 345.531 2.589 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001699878316 1417494350 /nfs/dbraw/zinc/49/43/50/1417494350.db2.gz RQUKKQKFJICPEX-IBGZPJMESA-N 2 1 332.492 2.801 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001699878316 1417494353 /nfs/dbraw/zinc/49/43/53/1417494353.db2.gz RQUKKQKFJICPEX-IBGZPJMESA-N 2 1 332.492 2.801 10 30 EFEEMP C=C(C)C[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1CC ZINC001699929800 1417511026 /nfs/dbraw/zinc/51/10/26/1417511026.db2.gz AJPLHINJJYOCGA-PXNSSMCTSA-N 2 1 343.515 2.914 10 30 EFEEMP CCCCCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001700020097 1417541460 /nfs/dbraw/zinc/54/14/60/1417541460.db2.gz JPFXDIKVMRZRRI-GBESFXJTSA-N 2 1 335.536 2.831 10 30 EFEEMP CCCCCCC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001700020097 1417541462 /nfs/dbraw/zinc/54/14/62/1417541462.db2.gz JPFXDIKVMRZRRI-GBESFXJTSA-N 2 1 335.536 2.831 10 30 EFEEMP CCCCCCC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001700020097 1417541464 /nfs/dbraw/zinc/54/14/64/1417541464.db2.gz JPFXDIKVMRZRRI-GBESFXJTSA-N 2 1 335.536 2.831 10 30 EFEEMP C=CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001700092173 1417563423 /nfs/dbraw/zinc/56/34/23/1417563423.db2.gz VGIDLYVFKHRXAJ-IBGZPJMESA-N 2 1 329.488 2.795 10 30 EFEEMP C=CCC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001700092173 1417563427 /nfs/dbraw/zinc/56/34/27/1417563427.db2.gz VGIDLYVFKHRXAJ-IBGZPJMESA-N 2 1 329.488 2.795 10 30 EFEEMP C=CCC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001700092173 1417563431 /nfs/dbraw/zinc/56/34/31/1417563431.db2.gz VGIDLYVFKHRXAJ-IBGZPJMESA-N 2 1 329.488 2.795 10 30 EFEEMP CC#CC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001700091815 1417563654 /nfs/dbraw/zinc/56/36/54/1417563654.db2.gz PGVMAELLVVBGMA-FQEVSTJZSA-N 2 1 341.499 2.632 10 30 EFEEMP CC#CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001700091815 1417563660 /nfs/dbraw/zinc/56/36/60/1417563660.db2.gz PGVMAELLVVBGMA-FQEVSTJZSA-N 2 1 341.499 2.632 10 30 EFEEMP CC#CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001700091815 1417563664 /nfs/dbraw/zinc/56/36/64/1417563664.db2.gz PGVMAELLVVBGMA-FQEVSTJZSA-N 2 1 341.499 2.632 10 30 EFEEMP C=CC[N@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CCCCC3)CCC[C@@H]12 ZINC001700863995 1417666228 /nfs/dbraw/zinc/66/62/28/1417666228.db2.gz CLIQXYDLGVZGSZ-YLJYHZDGSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001713144976 1418335912 /nfs/dbraw/zinc/33/59/12/1418335912.db2.gz JEJMJHFBOBKWLZ-ZCNNSNEGSA-N 2 1 341.499 2.931 10 30 EFEEMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001713144976 1418335920 /nfs/dbraw/zinc/33/59/20/1418335920.db2.gz JEJMJHFBOBKWLZ-ZCNNSNEGSA-N 2 1 341.499 2.931 10 30 EFEEMP C=CC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001713184422 1418363716 /nfs/dbraw/zinc/36/37/16/1418363716.db2.gz HZKFLCNOIKWSEH-WOJBJXKFSA-N 2 1 341.499 2.617 10 30 EFEEMP C=CC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001713184422 1418363722 /nfs/dbraw/zinc/36/37/22/1418363722.db2.gz HZKFLCNOIKWSEH-WOJBJXKFSA-N 2 1 341.499 2.617 10 30 EFEEMP C=CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001713184422 1418363727 /nfs/dbraw/zinc/36/37/27/1418363727.db2.gz HZKFLCNOIKWSEH-WOJBJXKFSA-N 2 1 341.499 2.617 10 30 EFEEMP C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001713184422 1418363732 /nfs/dbraw/zinc/36/37/32/1418363732.db2.gz HZKFLCNOIKWSEH-WOJBJXKFSA-N 2 1 341.499 2.617 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001713275520 1418443961 /nfs/dbraw/zinc/44/39/61/1418443961.db2.gz JWAUEXLKFAZPGK-RBUKOAKNSA-N 2 1 347.547 2.739 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001713275519 1418444459 /nfs/dbraw/zinc/44/44/59/1418444459.db2.gz JWAUEXLKFAZPGK-OALUTQOASA-N 2 1 347.547 2.739 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001713278470 1418448311 /nfs/dbraw/zinc/44/83/11/1418448311.db2.gz SHNVBPSLLVMQAF-MOPGFXCFSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001713283894 1418453937 /nfs/dbraw/zinc/45/39/37/1418453937.db2.gz VZBAHYSWHHWCNX-SWBPCFCJSA-N 2 1 347.547 2.898 10 30 EFEEMP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001713360608 1418490653 /nfs/dbraw/zinc/49/06/53/1418490653.db2.gz MCKOTOWPXLKMIY-IEBWSBKVSA-N 2 1 329.488 2.694 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001713721218 1418570920 /nfs/dbraw/zinc/57/09/20/1418570920.db2.gz MGVFDMKTLKXFFN-AEFFLSMTSA-N 2 1 332.492 2.867 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001713721218 1418570925 /nfs/dbraw/zinc/57/09/25/1418570925.db2.gz MGVFDMKTLKXFFN-AEFFLSMTSA-N 2 1 332.492 2.867 10 30 EFEEMP CC#CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001714327336 1418601554 /nfs/dbraw/zinc/60/15/54/1418601554.db2.gz TUESYXZNACGLJO-HXUWFJFHSA-N 2 1 345.531 2.635 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)Cc1cn2c(n1)CCCC2 ZINC001714516697 1418606908 /nfs/dbraw/zinc/60/69/08/1418606908.db2.gz HPTCXUVSXJQQOL-SFHVURJKSA-N 2 1 344.503 2.699 10 30 EFEEMP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001715142628 1418654535 /nfs/dbraw/zinc/65/45/35/1418654535.db2.gz REORGHRTMGYOKQ-QZTJIDSGSA-N 2 1 344.503 2.638 10 30 EFEEMP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001715442197 1418676175 /nfs/dbraw/zinc/67/61/75/1418676175.db2.gz KOXCHLCWOLLXGJ-AEFFLSMTSA-N 2 1 332.492 2.907 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@H]21 ZINC001715543911 1418678074 /nfs/dbraw/zinc/67/80/74/1418678074.db2.gz BNUMGDGFQSMAGH-RBUKOAKNSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1CC ZINC001716639491 1418934491 /nfs/dbraw/zinc/93/44/91/1418934491.db2.gz OIWPYOPIMIUDSJ-DLBZAZTESA-N 2 1 332.492 2.799 10 30 EFEEMP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001716708482 1418966782 /nfs/dbraw/zinc/96/67/82/1418966782.db2.gz HMGDUCJGBWQPIY-MVCQKVDPSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC001716712383 1418968482 /nfs/dbraw/zinc/96/84/82/1418968482.db2.gz IUMLNDOYFPGGMJ-KURKYZTESA-N 2 1 331.504 2.502 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001716731480 1418981075 /nfs/dbraw/zinc/98/10/75/1418981075.db2.gz MWVJURFTNZOJJS-ICSRJNTNSA-N 2 1 345.531 2.894 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001716731879 1418982369 /nfs/dbraw/zinc/98/23/69/1418982369.db2.gz QCZBWMNFMBZREE-HKUYNNGSSA-N 2 1 339.499 2.557 10 30 EFEEMP C#CCN(C(=O)CC[N@H+](C)CCC)C1CC[NH+](CC=C(C)C)CC1 ZINC001716810850 1419024313 /nfs/dbraw/zinc/02/43/13/1419024313.db2.gz FSSINAIYCGXGFV-UHFFFAOYSA-N 2 1 333.520 2.611 10 30 EFEEMP C#CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CC(CC)CC)CC1 ZINC001716811254 1419024841 /nfs/dbraw/zinc/02/48/41/1419024841.db2.gz SUSLBOSBKNHLJV-IBGZPJMESA-N 2 1 347.547 2.691 10 30 EFEEMP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001716865054 1419063789 /nfs/dbraw/zinc/06/37/89/1419063789.db2.gz PAWQQZYOIHHERJ-LPHOPBHVSA-N 2 1 332.492 2.801 10 30 EFEEMP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001716869699 1419065964 /nfs/dbraw/zinc/06/59/64/1419065964.db2.gz WBOUXVIETVXRPS-QUCCMNQESA-N 2 1 335.536 2.901 10 30 EFEEMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001716900464 1419086235 /nfs/dbraw/zinc/08/62/35/1419086235.db2.gz YGMUHYNIJNOJTP-OAQYLSRUSA-N 2 1 343.515 2.809 10 30 EFEEMP C=CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001716910163 1419092171 /nfs/dbraw/zinc/09/21/71/1419092171.db2.gz DADFMPPYFMVZEZ-HOTGVXAUSA-N 2 1 343.462 2.510 10 30 EFEEMP C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001716910163 1419092173 /nfs/dbraw/zinc/09/21/73/1419092173.db2.gz DADFMPPYFMVZEZ-HOTGVXAUSA-N 2 1 343.462 2.510 10 30 EFEEMP C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001716910163 1419092176 /nfs/dbraw/zinc/09/21/76/1419092176.db2.gz DADFMPPYFMVZEZ-HOTGVXAUSA-N 2 1 343.462 2.510 10 30 EFEEMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001716999576 1419136046 /nfs/dbraw/zinc/13/60/46/1419136046.db2.gz JVWXWZRXWCZWGI-HAGHYFMRSA-N 2 1 345.531 2.633 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001717002358 1419137866 /nfs/dbraw/zinc/13/78/66/1419137866.db2.gz QGTHXIGSGCNKBY-VJANTYMQSA-N 2 1 335.536 2.805 10 30 EFEEMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H](c3ccccc3)[N@H+](C)CC)C[C@H]2C1 ZINC001717014639 1419149680 /nfs/dbraw/zinc/14/96/80/1419149680.db2.gz ZZGXNAKLRIEFSK-ZCNNSNEGSA-N 2 1 341.499 2.646 10 30 EFEEMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)CC)C[C@H]2C1 ZINC001717014639 1419149682 /nfs/dbraw/zinc/14/96/82/1419149682.db2.gz ZZGXNAKLRIEFSK-ZCNNSNEGSA-N 2 1 341.499 2.646 10 30 EFEEMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)CC)C[C@H]2C1 ZINC001717014639 1419149685 /nfs/dbraw/zinc/14/96/85/1419149685.db2.gz ZZGXNAKLRIEFSK-ZCNNSNEGSA-N 2 1 341.499 2.646 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001717034116 1419165722 /nfs/dbraw/zinc/16/57/22/1419165722.db2.gz ZLMUTLOMXBLQAX-IPMKNSEASA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001717034116 1419165726 /nfs/dbraw/zinc/16/57/26/1419165726.db2.gz ZLMUTLOMXBLQAX-IPMKNSEASA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001717034116 1419165731 /nfs/dbraw/zinc/16/57/31/1419165731.db2.gz ZLMUTLOMXBLQAX-IPMKNSEASA-N 2 1 333.520 2.892 10 30 EFEEMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001717036856 1419169450 /nfs/dbraw/zinc/16/94/50/1419169450.db2.gz HDUMJTCYBVNXDI-XUVXKRRUSA-N 2 1 341.499 2.931 10 30 EFEEMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001717036856 1419169452 /nfs/dbraw/zinc/16/94/52/1419169452.db2.gz HDUMJTCYBVNXDI-XUVXKRRUSA-N 2 1 341.499 2.931 10 30 EFEEMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001717036856 1419169453 /nfs/dbraw/zinc/16/94/53/1419169453.db2.gz HDUMJTCYBVNXDI-XUVXKRRUSA-N 2 1 341.499 2.931 10 30 EFEEMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001717036856 1419169454 /nfs/dbraw/zinc/16/94/54/1419169454.db2.gz HDUMJTCYBVNXDI-XUVXKRRUSA-N 2 1 341.499 2.931 10 30 EFEEMP C#CCC[N@H+](C)Cc1ccccc1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001717112936 1419217126 /nfs/dbraw/zinc/21/71/26/1419217126.db2.gz QNMXCHBGFMEDNJ-HXUWFJFHSA-N 2 1 341.499 2.632 10 30 EFEEMP C#CCC[NH+](C)Cc1ccccc1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001717112936 1419217130 /nfs/dbraw/zinc/21/71/30/1419217130.db2.gz QNMXCHBGFMEDNJ-HXUWFJFHSA-N 2 1 341.499 2.632 10 30 EFEEMP C#CCC[NH+](C)Cc1ccccc1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001717112936 1419217136 /nfs/dbraw/zinc/21/71/36/1419217136.db2.gz QNMXCHBGFMEDNJ-HXUWFJFHSA-N 2 1 341.499 2.632 10 30 EFEEMP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)C[N@@H+](C)CC(C)(C)C)cc1 ZINC001717115171 1419219337 /nfs/dbraw/zinc/21/93/37/1419219337.db2.gz KBNZQPMJEJPUDQ-KRWDZBQOSA-N 2 1 343.515 2.955 10 30 EFEEMP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC001717115188 1419219418 /nfs/dbraw/zinc/21/94/18/1419219418.db2.gz KHLZVWPNHHUJSX-FCEWJHQRSA-N 2 1 329.488 2.870 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCC(C)CC2)CCC1 ZINC001717153303 1419240234 /nfs/dbraw/zinc/24/02/34/1419240234.db2.gz QOQOVJJQWXJXAY-ACBHZAAOSA-N 2 1 345.531 2.539 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCC(C)CC2)CCC1 ZINC001717153303 1419240238 /nfs/dbraw/zinc/24/02/38/1419240238.db2.gz QOQOVJJQWXJXAY-ACBHZAAOSA-N 2 1 345.531 2.539 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001717202426 1419262974 /nfs/dbraw/zinc/26/29/74/1419262974.db2.gz RZRXRNPAHZYUQO-RBUKOAKNSA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001717202426 1419262978 /nfs/dbraw/zinc/26/29/78/1419262978.db2.gz RZRXRNPAHZYUQO-RBUKOAKNSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCCC[NH2+]C1(CC)CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001717238348 1419281387 /nfs/dbraw/zinc/28/13/87/1419281387.db2.gz SGYQJELPRWMQFB-UHFFFAOYSA-N 2 1 348.491 2.677 10 30 EFEEMP C=CCC[N@@H+]1Cc2ccc(CNC(=O)C3([NH+](C)C)CCC3)cc2C1 ZINC001717270138 1419299508 /nfs/dbraw/zinc/29/95/08/1419299508.db2.gz MBCLFIMUPFLJML-UHFFFAOYSA-N 2 1 327.472 2.679 10 30 EFEEMP C=C(C)CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001717297621 1419313380 /nfs/dbraw/zinc/31/33/80/1419313380.db2.gz BLDMSQDLMMIHNS-ROUUACIJSA-N 2 1 333.520 2.940 10 30 EFEEMP C=C(C)C[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001717305255 1419317313 /nfs/dbraw/zinc/31/73/13/1419317313.db2.gz GIANKOFONWFGSU-UHFFFAOYSA-N 2 1 329.488 2.665 10 30 EFEEMP C=C(C)C[NH2+]C1(C)CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001717305255 1419317314 /nfs/dbraw/zinc/31/73/14/1419317314.db2.gz GIANKOFONWFGSU-UHFFFAOYSA-N 2 1 329.488 2.665 10 30 EFEEMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001717365179 1419357815 /nfs/dbraw/zinc/35/78/15/1419357815.db2.gz JQPVTTCERHECNT-UYAOXDASSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001717365179 1419357819 /nfs/dbraw/zinc/35/78/19/1419357819.db2.gz JQPVTTCERHECNT-UYAOXDASSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001717365179 1419357825 /nfs/dbraw/zinc/35/78/25/1419357825.db2.gz JQPVTTCERHECNT-UYAOXDASSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001717365176 1419358291 /nfs/dbraw/zinc/35/82/91/1419358291.db2.gz JQPVTTCERHECNT-AZUAARDMSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001717365176 1419358294 /nfs/dbraw/zinc/35/82/94/1419358294.db2.gz JQPVTTCERHECNT-AZUAARDMSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001717365176 1419358299 /nfs/dbraw/zinc/35/82/99/1419358299.db2.gz JQPVTTCERHECNT-AZUAARDMSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001717371487 1419364003 /nfs/dbraw/zinc/36/40/03/1419364003.db2.gz QDHNSYGBLSSWPG-UXHICEINSA-N 2 1 345.531 2.730 10 30 EFEEMP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001717371487 1419364005 /nfs/dbraw/zinc/36/40/05/1419364005.db2.gz QDHNSYGBLSSWPG-UXHICEINSA-N 2 1 345.531 2.730 10 30 EFEEMP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001717371487 1419364007 /nfs/dbraw/zinc/36/40/07/1419364007.db2.gz QDHNSYGBLSSWPG-UXHICEINSA-N 2 1 345.531 2.730 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001717377282 1419369318 /nfs/dbraw/zinc/36/93/18/1419369318.db2.gz AYTLWYGYBSVYFW-MOPGFXCFSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001717377282 1419369323 /nfs/dbraw/zinc/36/93/23/1419369323.db2.gz AYTLWYGYBSVYFW-MOPGFXCFSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001717377282 1419369324 /nfs/dbraw/zinc/36/93/24/1419369324.db2.gz AYTLWYGYBSVYFW-MOPGFXCFSA-N 2 1 335.536 2.855 10 30 EFEEMP CC#CC[NH2+]C1CCC(N(C)C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001717449474 1419398816 /nfs/dbraw/zinc/39/88/16/1419398816.db2.gz GITDRKRUYZPEAJ-UHFFFAOYSA-N 2 1 341.499 2.501 10 30 EFEEMP CC#CC[NH2+]C1CCC(N(C)C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001717449474 1419398820 /nfs/dbraw/zinc/39/88/20/1419398820.db2.gz GITDRKRUYZPEAJ-UHFFFAOYSA-N 2 1 341.499 2.501 10 30 EFEEMP C=CCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C(C)(C)C1 ZINC001717584183 1419456240 /nfs/dbraw/zinc/45/62/40/1419456240.db2.gz SAZCWOZUIAGDGN-QGZVFWFLSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)CCc3c[nH]cn3)C2)C1 ZINC001717628700 1419477236 /nfs/dbraw/zinc/47/72/36/1419477236.db2.gz DFTYKSANRRYYJM-MRXNPFEDSA-N 2 1 330.476 2.621 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)CCc3cnc[nH]3)C2)C1 ZINC001717628700 1419477237 /nfs/dbraw/zinc/47/72/37/1419477237.db2.gz DFTYKSANRRYYJM-MRXNPFEDSA-N 2 1 330.476 2.621 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)CCc3cnc[nH]3)C2)C1 ZINC001717628700 1419477238 /nfs/dbraw/zinc/47/72/38/1419477238.db2.gz DFTYKSANRRYYJM-MRXNPFEDSA-N 2 1 330.476 2.621 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001717629821 1419478671 /nfs/dbraw/zinc/47/86/71/1419478671.db2.gz XOQCUXFTANUTQK-MSOLQXFVSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCCC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001717629821 1419478674 /nfs/dbraw/zinc/47/86/74/1419478674.db2.gz XOQCUXFTANUTQK-MSOLQXFVSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCCC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001717629821 1419478676 /nfs/dbraw/zinc/47/86/76/1419478676.db2.gz XOQCUXFTANUTQK-MSOLQXFVSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCCCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC001717632272 1419480440 /nfs/dbraw/zinc/48/04/40/1419480440.db2.gz FNLLWUWTJRCSTD-NRSPTQNISA-N 2 1 347.547 2.855 10 30 EFEEMP C=CCCCCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC001717632272 1419480441 /nfs/dbraw/zinc/48/04/41/1419480441.db2.gz FNLLWUWTJRCSTD-NRSPTQNISA-N 2 1 347.547 2.855 10 30 EFEEMP C=CCCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC001717632272 1419480443 /nfs/dbraw/zinc/48/04/43/1419480443.db2.gz FNLLWUWTJRCSTD-NRSPTQNISA-N 2 1 347.547 2.855 10 30 EFEEMP C=CCCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@@]2(C)C1 ZINC001717632924 1419480703 /nfs/dbraw/zinc/48/07/03/1419480703.db2.gz WNXOBJSFVULLEW-SESVDKBCSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@]2(C)C1 ZINC001717632924 1419480704 /nfs/dbraw/zinc/48/07/04/1419480704.db2.gz WNXOBJSFVULLEW-SESVDKBCSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@]2(C)C1 ZINC001717632924 1419480706 /nfs/dbraw/zinc/48/07/06/1419480706.db2.gz WNXOBJSFVULLEW-SESVDKBCSA-N 2 1 347.547 2.997 10 30 EFEEMP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(C)(C)C ZINC001717958793 1419629326 /nfs/dbraw/zinc/62/93/26/1419629326.db2.gz ILYCAUBPRSJUHX-PKOBYXMFSA-N 2 1 347.547 2.785 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C(C)(C)C ZINC001717967990 1419633866 /nfs/dbraw/zinc/63/38/66/1419633866.db2.gz QCYQPQUYGMZFON-AEFFLSMTSA-N 2 1 346.519 2.841 10 30 EFEEMP CC[N@@H+](C)CCC(=O)N[C@@H](C[NH2+]CC#Cc1ccccc1)C(C)(C)C ZINC001717969994 1419634793 /nfs/dbraw/zinc/63/47/93/1419634793.db2.gz HABGQQZTCCYTAS-IBGZPJMESA-N 2 1 343.515 2.500 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001718029317 1419668101 /nfs/dbraw/zinc/66/81/01/1419668101.db2.gz UWEDZEPFGIAZMC-KRWDZBQOSA-N 2 1 333.520 2.821 10 30 EFEEMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001723300736 1424461820 /nfs/dbraw/zinc/46/18/20/1424461820.db2.gz MDJQKIXATKROPS-MJGOQNOKSA-N 2 1 333.520 2.702 10 30 EFEEMP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1CC ZINC001723389717 1424484745 /nfs/dbraw/zinc/48/47/45/1424484745.db2.gz QKDIBTUNDNVCKJ-WOJBJXKFSA-N 2 1 343.515 2.911 10 30 EFEEMP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1CC ZINC001723389717 1424484748 /nfs/dbraw/zinc/48/47/48/1424484748.db2.gz QKDIBTUNDNVCKJ-WOJBJXKFSA-N 2 1 343.515 2.911 10 30 EFEEMP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1CC ZINC001723390552 1424484846 /nfs/dbraw/zinc/48/48/46/1424484846.db2.gz XGHCRGMREVEGAP-RTBURBONSA-N 2 1 329.488 2.521 10 30 EFEEMP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1CC ZINC001723390552 1424484850 /nfs/dbraw/zinc/48/48/50/1424484850.db2.gz XGHCRGMREVEGAP-RTBURBONSA-N 2 1 329.488 2.521 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001723450967 1424500200 /nfs/dbraw/zinc/50/02/00/1424500200.db2.gz MDEDEPCOUYFNJM-MOPGFXCFSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001723450967 1424500202 /nfs/dbraw/zinc/50/02/02/1424500202.db2.gz MDEDEPCOUYFNJM-MOPGFXCFSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001723450967 1424500206 /nfs/dbraw/zinc/50/02/06/1424500206.db2.gz MDEDEPCOUYFNJM-MOPGFXCFSA-N 2 1 333.520 2.940 10 30 EFEEMP CCCCCCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001723456640 1424503096 /nfs/dbraw/zinc/50/30/96/1424503096.db2.gz COXCJXSMAHEDOL-ROUUACIJSA-N 2 1 346.519 2.915 10 30 EFEEMP CCCCCCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001723456640 1424503104 /nfs/dbraw/zinc/50/31/04/1424503104.db2.gz COXCJXSMAHEDOL-ROUUACIJSA-N 2 1 346.519 2.915 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001723610110 1424535349 /nfs/dbraw/zinc/53/53/49/1424535349.db2.gz YZDNDEWWEIGKGH-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001723610110 1424535353 /nfs/dbraw/zinc/53/53/53/1424535353.db2.gz YZDNDEWWEIGKGH-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001723610110 1424535358 /nfs/dbraw/zinc/53/53/58/1424535358.db2.gz YZDNDEWWEIGKGH-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001723614691 1424536358 /nfs/dbraw/zinc/53/63/58/1424536358.db2.gz LGBSSJPVMNRTBH-UMQXSMKFSA-N 2 1 345.531 2.633 10 30 EFEEMP C=CCCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001723610580 1424536387 /nfs/dbraw/zinc/53/63/87/1424536387.db2.gz ZWWIRBYPYPBTRE-OALUTQOASA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001723610580 1424536394 /nfs/dbraw/zinc/53/63/94/1424536394.db2.gz ZWWIRBYPYPBTRE-OALUTQOASA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001723610580 1424536399 /nfs/dbraw/zinc/53/63/99/1424536399.db2.gz ZWWIRBYPYPBTRE-OALUTQOASA-N 2 1 333.520 2.607 10 30 EFEEMP CC#CC[N@@H+](CCNC(=O)CCc1cncn1C)C1CCCCCC1 ZINC001723639862 1424544105 /nfs/dbraw/zinc/54/41/05/1424544105.db2.gz GURUJAIKQCBMKL-UHFFFAOYSA-N 2 1 344.503 2.517 10 30 EFEEMP CC#CC[N@@H+](CCNC(=O)CCc1c[nH]cn1)C1CCCCCC1 ZINC001723641355 1424545423 /nfs/dbraw/zinc/54/54/23/1424545423.db2.gz ZJDSWLGOUKXLIT-UHFFFAOYSA-N 2 1 330.476 2.507 10 30 EFEEMP CC#CC[N@H+](CCNC(=O)CCc1cnc[nH]1)C1CCCCCC1 ZINC001723641355 1424545426 /nfs/dbraw/zinc/54/54/26/1424545426.db2.gz ZJDSWLGOUKXLIT-UHFFFAOYSA-N 2 1 330.476 2.507 10 30 EFEEMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001723690984 1424557597 /nfs/dbraw/zinc/55/75/97/1424557597.db2.gz KUXHTLNQVCNLEU-NRFANRHFSA-N 2 1 345.531 2.590 10 30 EFEEMP C=CCCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001723719694 1424568604 /nfs/dbraw/zinc/56/86/04/1424568604.db2.gz SUBZXISPICFBFF-QUCCMNQESA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001723719694 1424568607 /nfs/dbraw/zinc/56/86/07/1424568607.db2.gz SUBZXISPICFBFF-QUCCMNQESA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001723719694 1424568613 /nfs/dbraw/zinc/56/86/13/1424568613.db2.gz SUBZXISPICFBFF-QUCCMNQESA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCCC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001723722927 1424569822 /nfs/dbraw/zinc/56/98/22/1424569822.db2.gz YUQSCJXUJRTSHG-HXUWFJFHSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001723722927 1424569825 /nfs/dbraw/zinc/56/98/25/1424569825.db2.gz YUQSCJXUJRTSHG-HXUWFJFHSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001723722927 1424569829 /nfs/dbraw/zinc/56/98/29/1424569829.db2.gz YUQSCJXUJRTSHG-HXUWFJFHSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001723727273 1424570842 /nfs/dbraw/zinc/57/08/42/1424570842.db2.gz QPMHOSZICFGBFZ-UYAOXDASSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001724125270 1424666358 /nfs/dbraw/zinc/66/63/58/1424666358.db2.gz CDLWVYMXYCDAMO-HKUYNNGSSA-N 2 1 339.499 2.557 10 30 EFEEMP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001724273041 1424719339 /nfs/dbraw/zinc/71/93/39/1424719339.db2.gz MQBRMBZHDFXKKT-HXUWFJFHSA-N 2 1 329.488 2.523 10 30 EFEEMP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001724273041 1424719347 /nfs/dbraw/zinc/71/93/47/1424719347.db2.gz MQBRMBZHDFXKKT-HXUWFJFHSA-N 2 1 329.488 2.523 10 30 EFEEMP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001724273739 1424719837 /nfs/dbraw/zinc/71/98/37/1424719837.db2.gz RQUGHEWNVFEJKF-ICSRJNTNSA-N 2 1 329.488 2.694 10 30 EFEEMP 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CC#CC[NH+](C)C[C@H]1CCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001725038108 1425249173 /nfs/dbraw/zinc/24/91/73/1425249173.db2.gz BGEUTBXYCMRMBN-LJQANCHMSA-N 2 1 333.520 2.587 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001725039678 1425250227 /nfs/dbraw/zinc/25/02/27/1425250227.db2.gz DKODQGBDBPSSJP-CVEARBPZSA-N 2 1 348.491 2.627 10 30 EFEEMP C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001725039678 1425250224 /nfs/dbraw/zinc/25/02/24/1425250224.db2.gz DKODQGBDBPSSJP-CVEARBPZSA-N 2 1 348.491 2.627 10 30 EFEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001725043931 1425257258 /nfs/dbraw/zinc/25/72/58/1425257258.db2.gz WMLVHMZRDQLMIA-SFHVURJKSA-N 2 1 333.520 2.751 10 30 EFEEMP CC#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001725050604 1425261627 /nfs/dbraw/zinc/26/16/27/1425261627.db2.gz BKPBULAHGMYCQR-PMACEKPBSA-N 2 1 341.499 2.626 10 30 EFEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](c1ccccc1)[NH+](C)CC 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/nfs/dbraw/zinc/26/60/59/1425266059.db2.gz MUMAHBVECVAYIT-MOPGFXCFSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001725055591 1425266062 /nfs/dbraw/zinc/26/60/62/1425266062.db2.gz MUMAHBVECVAYIT-MOPGFXCFSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001725055591 1425266067 /nfs/dbraw/zinc/26/60/67/1425266067.db2.gz MUMAHBVECVAYIT-MOPGFXCFSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001725055704 1425266940 /nfs/dbraw/zinc/26/69/40/1425266940.db2.gz BZXYXMIWBIBZNY-MOPGFXCFSA-N 2 1 335.536 2.855 10 30 EFEEMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001725236396 1425401108 /nfs/dbraw/zinc/40/11/08/1425401108.db2.gz JIEWLTRBMLMFIY-SFHVURJKSA-N 2 1 333.520 2.635 10 30 EFEEMP C=CCC[N@H+]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001725287811 1425441168 /nfs/dbraw/zinc/44/11/68/1425441168.db2.gz VOLNOTXSPVJZDL-CVEARBPZSA-N 2 1 332.492 2.799 10 30 EFEEMP C=CCC[N@@H+]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001725287811 1425441170 /nfs/dbraw/zinc/44/11/70/1425441170.db2.gz VOLNOTXSPVJZDL-CVEARBPZSA-N 2 1 332.492 2.799 10 30 EFEEMP C=CCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC001725288266 1425442600 /nfs/dbraw/zinc/44/26/00/1425442600.db2.gz IRDWLBVIUUMNIA-MRXNPFEDSA-N 2 1 332.492 2.799 10 30 EFEEMP C=CCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC001725288266 1425442602 /nfs/dbraw/zinc/44/26/02/1425442602.db2.gz IRDWLBVIUUMNIA-MRXNPFEDSA-N 2 1 332.492 2.799 10 30 EFEEMP C=CCCCCC[N@H+]1CCCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001725339361 1425487205 /nfs/dbraw/zinc/48/72/05/1425487205.db2.gz STSCOXQMLBDWQN-UHFFFAOYSA-N 2 1 344.503 2.862 10 30 EFEEMP C=CCCCCC[N@@H+]1CCCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001725339361 1425487207 /nfs/dbraw/zinc/48/72/07/1425487207.db2.gz STSCOXQMLBDWQN-UHFFFAOYSA-N 2 1 344.503 2.862 10 30 EFEEMP C=CCCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001725344402 1425493438 /nfs/dbraw/zinc/49/34/38/1425493438.db2.gz GQOSEQTZOJRJDW-RBUKOAKNSA-N 2 1 347.547 2.997 10 30 EFEEMP C=C(C)CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001725401896 1425544793 /nfs/dbraw/zinc/54/47/93/1425544793.db2.gz OHKIQLPTILQKJO-RDJZCZTQSA-N 2 1 332.492 2.595 10 30 EFEEMP C#CCC[NH2+]CCCN(Cc1ccccc1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001725426520 1425572396 /nfs/dbraw/zinc/57/23/96/1425572396.db2.gz GFIOJMTUWYTLSI-HXUWFJFHSA-N 2 1 341.499 2.503 10 30 EFEEMP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001725454789 1425591777 /nfs/dbraw/zinc/59/17/77/1425591777.db2.gz QZJVWAQIRPATNJ-HKUYNNGSSA-N 2 1 333.520 2.654 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC001725634278 1425733975 /nfs/dbraw/zinc/73/39/75/1425733975.db2.gz SFKYXBNXSIUOCK-QZTJIDSGSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC001725634284 1425734024 /nfs/dbraw/zinc/73/40/24/1425734024.db2.gz SFKYXBNXSIUOCK-ZWKOTPCHSA-N 2 1 333.520 2.798 10 30 EFEEMP CC#CC[NH2+]C[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C(C)(C)C ZINC001725743689 1425811464 /nfs/dbraw/zinc/81/14/64/1425811464.db2.gz YVGVCVLMWBNEHH-HZPDHXFCSA-N 2 1 332.492 2.540 10 30 EFEEMP C=CCC[NH+]1CCC(C2(NC(=O)CCCn3cc[nH+]c3C)CC2)CC1 ZINC001725793182 1425856317 /nfs/dbraw/zinc/85/63/17/1425856317.db2.gz BJAWXWZCZNVCOU-UHFFFAOYSA-N 2 1 344.503 2.909 10 30 EFEEMP C#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001731294596 1426372464 /nfs/dbraw/zinc/37/24/64/1426372464.db2.gz LVVDYYHVRPMJED-HKUYNNGSSA-N 2 1 333.520 2.633 10 30 EFEEMP CC[NH+]=C(NCc1nc(C)c(C)s1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158388263 715542005 /nfs/dbraw/zinc/54/20/05/715542005.db2.gz SRWBIPRVEDCHCJ-SWLSCSKDSA-N 2 1 337.537 2.544 10 30 EFEEMP C=C(C)C[NH+]1CCC([NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000892881599 719255612 /nfs/dbraw/zinc/25/56/12/719255612.db2.gz YZNQBXIZAVUNAY-WOVMCDHWSA-N 2 1 337.508 2.920 10 30 EFEEMP C#CC[N@H+](C)CCC[NH2+]CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000894863589 722913161 /nfs/dbraw/zinc/91/31/61/722913161.db2.gz LDWYWUPDRNFXKO-AYHJJNSGSA-N 2 1 349.519 2.709 10 30 EFEEMP C#CC[N@@H+](C)CCC[NH2+]CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000894863589 722913163 /nfs/dbraw/zinc/91/31/63/722913163.db2.gz LDWYWUPDRNFXKO-AYHJJNSGSA-N 2 1 349.519 2.709 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000908083226 727088078 /nfs/dbraw/zinc/08/80/78/727088078.db2.gz RGRVPFGCSCUMRS-KRWDZBQOSA-N 2 1 349.544 2.845 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000908128747 727106208 /nfs/dbraw/zinc/10/62/08/727106208.db2.gz IXZVETBKRJMAJD-GOSISDBHSA-N 2 1 341.455 2.735 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC(=C)C)CC2(C)C)CC1 ZINC000941239631 727926823 /nfs/dbraw/zinc/92/68/23/727926823.db2.gz QYMHFKHGSGXCIW-IBGZPJMESA-N 2 1 345.531 2.515 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940753939 728237809 /nfs/dbraw/zinc/23/78/09/728237809.db2.gz RARYPOAWXCTCGR-XHSDSOJGSA-N 2 1 341.927 2.686 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940753939 728237811 /nfs/dbraw/zinc/23/78/11/728237811.db2.gz RARYPOAWXCTCGR-XHSDSOJGSA-N 2 1 341.927 2.686 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940753939 728237812 /nfs/dbraw/zinc/23/78/12/728237812.db2.gz RARYPOAWXCTCGR-XHSDSOJGSA-N 2 1 341.927 2.686 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940753939 728237814 /nfs/dbraw/zinc/23/78/14/728237814.db2.gz RARYPOAWXCTCGR-XHSDSOJGSA-N 2 1 341.927 2.686 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940753938 728237836 /nfs/dbraw/zinc/23/78/36/728237836.db2.gz RARYPOAWXCTCGR-ARFHVFGLSA-N 2 1 341.927 2.686 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940753938 728237839 /nfs/dbraw/zinc/23/78/39/728237839.db2.gz RARYPOAWXCTCGR-ARFHVFGLSA-N 2 1 341.927 2.686 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940753938 728237841 /nfs/dbraw/zinc/23/78/41/728237841.db2.gz RARYPOAWXCTCGR-ARFHVFGLSA-N 2 1 341.927 2.686 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940753938 728237843 /nfs/dbraw/zinc/23/78/43/728237843.db2.gz RARYPOAWXCTCGR-ARFHVFGLSA-N 2 1 341.927 2.686 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000940942586 728341470 /nfs/dbraw/zinc/34/14/70/728341470.db2.gz FKXZFABEEZSXRW-HNNXBMFYSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000940942586 728341471 /nfs/dbraw/zinc/34/14/71/728341471.db2.gz FKXZFABEEZSXRW-HNNXBMFYSA-N 2 1 341.927 2.830 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C1CCC1 ZINC001569446188 1085226257 /nfs/dbraw/zinc/22/62/57/1085226257.db2.gz GDEWJJCQFJJQMU-UHOSZYNNSA-N 2 1 333.520 2.891 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)C1CCC1 ZINC001569446188 1085226265 /nfs/dbraw/zinc/22/62/65/1085226265.db2.gz GDEWJJCQFJJQMU-UHOSZYNNSA-N 2 1 333.520 2.891 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)C1CCC1 ZINC001569446188 1085226272 /nfs/dbraw/zinc/22/62/72/1085226272.db2.gz GDEWJJCQFJJQMU-UHOSZYNNSA-N 2 1 333.520 2.891 10 30 EFEEMP C=C(C)CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001569452471 1085239171 /nfs/dbraw/zinc/23/91/71/1085239171.db2.gz TXSHCITVOBXZLD-IBGZPJMESA-N 2 1 333.520 2.750 10 30 EFEEMP C=C(C)CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001569452471 1085239184 /nfs/dbraw/zinc/23/91/84/1085239184.db2.gz TXSHCITVOBXZLD-IBGZPJMESA-N 2 1 333.520 2.750 10 30 EFEEMP C=C(C)CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001569452471 1085239197 /nfs/dbraw/zinc/23/91/97/1085239197.db2.gz TXSHCITVOBXZLD-IBGZPJMESA-N 2 1 333.520 2.750 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC001569522557 1085334655 /nfs/dbraw/zinc/33/46/55/1085334655.db2.gz NFSGEPIZZAQMQP-DLBZAZTESA-N 2 1 332.492 2.942 10 30 EFEEMP C#CCN(C(=O)CC[C@H]1CCC[N@H+]1C)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001569589385 1085412281 /nfs/dbraw/zinc/41/22/81/1085412281.db2.gz KSJNFIDMNLLLJN-RBUKOAKNSA-N 2 1 347.547 2.833 10 30 EFEEMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001569595903 1085420001 /nfs/dbraw/zinc/42/00/01/1085420001.db2.gz GJUJRBBNGXMACU-OALUTQOASA-N 2 1 347.547 2.547 10 30 EFEEMP C#CC[NH2+]C[C@H](NC(=O)[C@H](c1ccccc1)[N@H+](C)CC)C1CCCC1 ZINC001569612382 1085437357 /nfs/dbraw/zinc/43/73/57/1085437357.db2.gz BZFPLQIWNCBGSY-PMACEKPBSA-N 2 1 341.499 2.577 10 30 EFEEMP C=CCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001569625431 1085453601 /nfs/dbraw/zinc/45/36/01/1085453601.db2.gz WOAAJESYBBUVED-AZUAARDMSA-N 2 1 333.520 2.609 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001569625431 1085453607 /nfs/dbraw/zinc/45/36/07/1085453607.db2.gz WOAAJESYBBUVED-AZUAARDMSA-N 2 1 333.520 2.609 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001569625431 1085453610 /nfs/dbraw/zinc/45/36/10/1085453610.db2.gz WOAAJESYBBUVED-AZUAARDMSA-N 2 1 333.520 2.609 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001569722492 1085558215 /nfs/dbraw/zinc/55/82/15/1085558215.db2.gz KTHIEGJNKSZOPP-FQEVSTJZSA-N 2 1 335.536 2.903 10 30 EFEEMP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001569843636 1085666184 /nfs/dbraw/zinc/66/61/84/1085666184.db2.gz SIFOEKLCQULHBH-ZWKOTPCHSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001569862877 1085689438 /nfs/dbraw/zinc/68/94/38/1085689438.db2.gz PUSVENMZXGOFBL-CADBVGFASA-N 2 1 335.536 2.805 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@H]2C1 ZINC001569883478 1085716802 /nfs/dbraw/zinc/71/68/02/1085716802.db2.gz DFTPKKZJJVSDNK-AQNXPRMDSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+]1CCCC1 ZINC001569915157 1085759694 /nfs/dbraw/zinc/75/96/94/1085759694.db2.gz OIXKDNJOASUIIV-RBUKOAKNSA-N 2 1 333.520 2.894 10 30 EFEEMP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001569919552 1085766332 /nfs/dbraw/zinc/76/63/32/1085766332.db2.gz NDGFNGYYYMCKBO-GBESFXJTSA-N 2 1 333.520 2.748 10 30 EFEEMP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001569919552 1085766341 /nfs/dbraw/zinc/76/63/41/1085766341.db2.gz NDGFNGYYYMCKBO-GBESFXJTSA-N 2 1 333.520 2.748 10 30 EFEEMP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001569998670 1085840251 /nfs/dbraw/zinc/84/02/51/1085840251.db2.gz RMJZEAGLWPDMRO-MOPGFXCFSA-N 2 1 335.536 2.903 10 30 EFEEMP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001569998843 1085841010 /nfs/dbraw/zinc/84/10/10/1085841010.db2.gz VEMQTJYKJUDVSL-ICSRJNTNSA-N 2 1 345.531 2.635 10 30 EFEEMP CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC001570033210 1085884772 /nfs/dbraw/zinc/88/47/72/1085884772.db2.gz OMXNQNDFPXKPCI-XLIONFOSSA-N 2 1 341.499 2.851 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001570043408 1085897846 /nfs/dbraw/zinc/89/78/46/1085897846.db2.gz QXHFGZZTPIFWGD-GUDVDZBRSA-N 2 1 335.536 2.949 10 30 EFEEMP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001570048265 1085901719 /nfs/dbraw/zinc/90/17/19/1085901719.db2.gz BPEHCAMQMPABNG-BHIYHBOVSA-N 2 1 329.488 2.740 10 30 EFEEMP CC#CC[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)CC1 ZINC001570053540 1085908090 /nfs/dbraw/zinc/90/80/90/1085908090.db2.gz IQEIUYQLSPWBKP-UHFFFAOYSA-N 2 1 345.531 2.589 10 30 EFEEMP C=CC[N@H+]1CCc2c(CNC(=O)CCC[NH+]3CCCC3)cccc2C1 ZINC001570079171 1085933084 /nfs/dbraw/zinc/93/30/84/1085933084.db2.gz NVSUWXPMIMBBHQ-UHFFFAOYSA-N 2 1 341.499 2.723 10 30 EFEEMP C#CC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001570220451 1086061583 /nfs/dbraw/zinc/06/15/83/1086061583.db2.gz RVVZAKSCMVDOEP-OALUTQOASA-N 2 1 347.547 2.548 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001570220451 1086061591 /nfs/dbraw/zinc/06/15/91/1086061591.db2.gz RVVZAKSCMVDOEP-OALUTQOASA-N 2 1 347.547 2.548 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001570220451 1086061597 /nfs/dbraw/zinc/06/15/97/1086061597.db2.gz RVVZAKSCMVDOEP-OALUTQOASA-N 2 1 347.547 2.548 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC1CC[NH+](C(C)C)CC1 ZINC001570266857 1086098260 /nfs/dbraw/zinc/09/82/60/1086098260.db2.gz CBSDUMAITWJQOP-FQEVSTJZSA-N 2 1 347.547 2.881 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC1CC[NH+](C(C)C)CC1 ZINC001570266857 1086098269 /nfs/dbraw/zinc/09/82/69/1086098269.db2.gz CBSDUMAITWJQOP-FQEVSTJZSA-N 2 1 347.547 2.881 10 30 EFEEMP C=CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001570269077 1086104298 /nfs/dbraw/zinc/10/42/98/1086104298.db2.gz NUBLSJOFBPVKKQ-IBGZPJMESA-N 2 1 341.499 2.590 10 30 EFEEMP C=C(C)CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001570272062 1086108635 /nfs/dbraw/zinc/10/86/35/1086108635.db2.gz UHEBMSBKYYSQAJ-WOJBJXKFSA-N 2 1 343.515 2.836 10 30 EFEEMP C=CC[N@@H+]1Cc2ccc(CNC(=O)CC[NH+]3CCCCC3)cc2C1 ZINC001570313707 1086143227 /nfs/dbraw/zinc/14/32/27/1086143227.db2.gz HVOCCXSNSBOGLQ-UHFFFAOYSA-N 2 1 327.472 2.680 10 30 EFEEMP C=CC[N@H+]1Cc2ccc(CNC(=O)CC[NH+]3CCCCC3)cc2C1 ZINC001570313707 1086143234 /nfs/dbraw/zinc/14/32/34/1086143234.db2.gz HVOCCXSNSBOGLQ-UHFFFAOYSA-N 2 1 327.472 2.680 10 30 EFEEMP C=CCC[NH2+]C1(C)CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001570373203 1086177915 /nfs/dbraw/zinc/17/79/15/1086177915.db2.gz NNAXDEHTBSVNLG-INIZCTEOSA-N 2 1 332.492 2.943 10 30 EFEEMP C=CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001570477803 1086266841 /nfs/dbraw/zinc/26/68/41/1086266841.db2.gz ACVJRKBTXYRJMZ-IBGZPJMESA-N 2 1 341.499 2.620 10 30 EFEEMP CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001570641512 1086429808 /nfs/dbraw/zinc/42/98/08/1086429808.db2.gz MTNTWQKYPFJCHV-JKSUJKDBSA-N 2 1 349.906 2.516 10 30 EFEEMP C=C(C)C[N@H+]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001570897515 1086597266 /nfs/dbraw/zinc/59/72/66/1086597266.db2.gz SSPCPUWXMQJQTP-HOTGVXAUSA-N 2 1 332.492 2.799 10 30 EFEEMP C=C(C)C[N@@H+]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001570897515 1086597276 /nfs/dbraw/zinc/59/72/76/1086597276.db2.gz SSPCPUWXMQJQTP-HOTGVXAUSA-N 2 1 332.492 2.799 10 30 EFEEMP C=C(C)CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)CC[N@H+](C)CCC)C[C@H]2C1 ZINC001571022482 1086646374 /nfs/dbraw/zinc/64/63/74/1086646374.db2.gz MZLBASGUAYIIHC-GBESFXJTSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)CCC)C[C@H]2C1 ZINC001571022482 1086646376 /nfs/dbraw/zinc/64/63/76/1086646376.db2.gz MZLBASGUAYIIHC-GBESFXJTSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)CCC)C[C@H]2C1 ZINC001571022482 1086646377 /nfs/dbraw/zinc/64/63/77/1086646377.db2.gz MZLBASGUAYIIHC-GBESFXJTSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001571332066 1086729696 /nfs/dbraw/zinc/72/96/96/1086729696.db2.gz RBKHVIJSTPODQI-OAHLLOKOSA-N 2 1 348.491 2.627 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001571332066 1086729700 /nfs/dbraw/zinc/72/97/00/1086729700.db2.gz RBKHVIJSTPODQI-OAHLLOKOSA-N 2 1 348.491 2.627 10 30 EFEEMP 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ZINC001571506145 1086911656 /nfs/dbraw/zinc/91/16/56/1086911656.db2.gz AOCFOMWDIGGPLR-FPOVZHCZSA-N 2 1 341.499 2.808 10 30 EFEEMP C=CCC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)Cc3ccccc3)CCC[C@H]12 ZINC001571506145 1086911663 /nfs/dbraw/zinc/91/16/63/1086911663.db2.gz AOCFOMWDIGGPLR-FPOVZHCZSA-N 2 1 341.499 2.808 10 30 EFEEMP C=CCC[N@H+]1CC[C@@]2(NC(=O)C[NH+](C)Cc3ccccc3)CCC[C@H]12 ZINC001571506145 1086911666 /nfs/dbraw/zinc/91/16/66/1086911666.db2.gz AOCFOMWDIGGPLR-FPOVZHCZSA-N 2 1 341.499 2.808 10 30 EFEEMP C#CCC[NH2+]C[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C(C)(C)C ZINC001571624048 1086994750 /nfs/dbraw/zinc/99/47/50/1086994750.db2.gz BICWNTYTHUIPFC-HOTGVXAUSA-N 2 1 332.492 2.540 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCC([C@H](C)NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001571651146 1087020786 /nfs/dbraw/zinc/02/07/86/1087020786.db2.gz NOMXNHGJZZTLNZ-HOTGVXAUSA-N 2 1 332.492 2.763 10 30 EFEEMP C=C(C)CC[NH2+]C1CC(N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001571665821 1087031926 /nfs/dbraw/zinc/03/19/26/1087031926.db2.gz LNXAEBZEKZSYQG-CTWPCTMYSA-N 2 1 329.488 2.835 10 30 EFEEMP C[C@@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1cc(C#N)ccn1 ZINC001647411019 1089386251 /nfs/dbraw/zinc/38/62/51/1089386251.db2.gz HTGBFPNJBITROU-MRXNPFEDSA-N 2 1 335.455 2.556 10 30 EFEEMP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001649459523 1092491813 /nfs/dbraw/zinc/49/18/13/1092491813.db2.gz OJMITNMTOSKHIZ-IBGZPJMESA-N 2 1 339.499 2.746 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001267058986 1092498284 /nfs/dbraw/zinc/49/82/84/1092498284.db2.gz XFJFUGJWTMPXFJ-QFBILLFUSA-N 2 1 339.499 2.603 10 30 EFEEMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001267104881 1092736211 /nfs/dbraw/zinc/73/62/11/1092736211.db2.gz VTIHDCOLJYCWEY-OALUTQOASA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001267104881 1092736218 /nfs/dbraw/zinc/73/62/18/1092736218.db2.gz VTIHDCOLJYCWEY-OALUTQOASA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001267104881 1092736226 /nfs/dbraw/zinc/73/62/26/1092736226.db2.gz VTIHDCOLJYCWEY-OALUTQOASA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC001671246899 1092752610 /nfs/dbraw/zinc/75/26/10/1092752610.db2.gz YSNXTENAXRSMNN-DLBZAZTESA-N 2 1 332.492 2.942 10 30 EFEEMP C=CCCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC001671246901 1092753634 /nfs/dbraw/zinc/75/36/34/1092753634.db2.gz YSNXTENAXRSMNN-IRXDYDNUSA-N 2 1 332.492 2.942 10 30 EFEEMP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H](c1ccccc1)N(C)C ZINC001267180804 1093101356 /nfs/dbraw/zinc/10/13/56/1093101356.db2.gz CEPZWNJGHGPBRF-PMACEKPBSA-N 2 1 341.499 2.673 10 30 EFEEMP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001267180804 1093101362 /nfs/dbraw/zinc/10/13/62/1093101362.db2.gz CEPZWNJGHGPBRF-PMACEKPBSA-N 2 1 341.499 2.673 10 30 EFEEMP 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C=CCC[C@@H](C)[NH+](C)CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001267217188 1093227209 /nfs/dbraw/zinc/22/72/09/1093227209.db2.gz AEUSAZHPWXDGKJ-QAPCUYQASA-N 2 1 327.488 2.602 10 30 EFEEMP C=CCC[C@H](C)[NH2+][C@H](C)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001267222684 1093254861 /nfs/dbraw/zinc/25/48/61/1093254861.db2.gz PVUFSDLLRMZWLJ-JKSUJKDBSA-N 2 1 332.492 2.763 10 30 EFEEMP C=C(Cl)C[N@H+](CCCNC(=O)CC1CC[NH+](C)CC1)C(C)C ZINC001267324835 1093582419 /nfs/dbraw/zinc/58/24/19/1093582419.db2.gz VQGHWFRLVVAKMY-UHFFFAOYSA-N 2 1 329.916 2.688 10 30 EFEEMP C=CCC[C@H](C)[N@H+](CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001267331281 1093596041 /nfs/dbraw/zinc/59/60/41/1093596041.db2.gz CXVHVNKDLJUFNP-DOTOQJQBSA-N 2 1 344.503 2.689 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001267331281 1093596046 /nfs/dbraw/zinc/59/60/46/1093596046.db2.gz CXVHVNKDLJUFNP-DOTOQJQBSA-N 2 1 344.503 2.689 10 30 EFEEMP C#CCC[NH2+][C@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC001267382635 1094428226 /nfs/dbraw/zinc/42/82/26/1094428226.db2.gz RVNZSZAEGXREFB-NHCUHLMSSA-N 2 1 349.478 2.760 10 30 EFEEMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC001267382856 1094429527 /nfs/dbraw/zinc/42/95/27/1094429527.db2.gz VJOIQFJEUYUTCN-OALUTQOASA-N 2 1 329.488 2.884 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001481461628 1094699641 /nfs/dbraw/zinc/69/96/41/1094699641.db2.gz GBHAZYFUPQRHOX-QGZVFWFLSA-N 2 1 329.488 2.766 10 30 EFEEMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001481488230 1094904559 /nfs/dbraw/zinc/90/45/59/1094904559.db2.gz QMSOIVQGQLJIGM-OAHLLOKOSA-N 2 1 335.517 2.780 10 30 EFEEMP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001481492816 1094921493 /nfs/dbraw/zinc/92/14/93/1094921493.db2.gz NRWRGWSARQIETK-SFHVURJKSA-N 2 1 343.515 2.761 10 30 EFEEMP CC#CC[N@H+](CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC001267512840 1095144132 /nfs/dbraw/zinc/14/41/32/1095144132.db2.gz WUHLMRSHENFKAL-IBGZPJMESA-N 2 1 329.488 2.529 10 30 EFEEMP CC#CC[N@@H+](CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC001267512840 1095144136 /nfs/dbraw/zinc/14/41/36/1095144136.db2.gz WUHLMRSHENFKAL-IBGZPJMESA-N 2 1 329.488 2.529 10 30 EFEEMP C=CCC[C@@H](C)[N@H+](CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001481186234 1095181933 /nfs/dbraw/zinc/18/19/33/1095181933.db2.gz MOGICQCKTZYZFM-WBVHZDCISA-N 2 1 344.503 2.689 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001481186234 1095181939 /nfs/dbraw/zinc/18/19/39/1095181939.db2.gz MOGICQCKTZYZFM-WBVHZDCISA-N 2 1 344.503 2.689 10 30 EFEEMP C=CCC[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001268091404 1095279667 /nfs/dbraw/zinc/27/96/67/1095279667.db2.gz CVAVATOZTNNWGN-CVEARBPZSA-N 2 1 341.459 2.672 10 30 EFEEMP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001268123293 1095420090 /nfs/dbraw/zinc/42/00/90/1095420090.db2.gz MLOYOUXGVXMEQB-PMACEKPBSA-N 2 1 347.547 2.927 10 30 EFEEMP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001268123294 1095420524 /nfs/dbraw/zinc/42/05/24/1095420524.db2.gz MLOYOUXGVXMEQB-UXHICEINSA-N 2 1 347.547 2.927 10 30 EFEEMP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001268123296 1095420556 /nfs/dbraw/zinc/42/05/56/1095420556.db2.gz MLOYOUXGVXMEQB-WOJBJXKFSA-N 2 1 347.547 2.927 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001267544618 1095442515 /nfs/dbraw/zinc/44/25/15/1095442515.db2.gz SAFYVVDVTVMEJD-MSOLQXFVSA-N 2 1 344.503 2.725 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H](N(CCC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267548823 1095464011 /nfs/dbraw/zinc/46/40/11/1095464011.db2.gz NHLCISOUVMFVLA-ZWKOTPCHSA-N 2 1 333.520 2.750 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001267558705 1095528324 /nfs/dbraw/zinc/52/83/24/1095528324.db2.gz FQAAEGMFOGAMSQ-OAHLLOKOSA-N 2 1 335.517 2.828 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001267567261 1095590745 /nfs/dbraw/zinc/59/07/45/1095590745.db2.gz AEPLXOWPZXIYCB-GOSISDBHSA-N 2 1 333.520 2.513 10 30 EFEEMP C=CCC[NH+]1CC[C@@H](CCNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001267575150 1095792104 /nfs/dbraw/zinc/79/21/04/1095792104.db2.gz CWCJFXGMETZVIJ-VQIMIIECSA-N 2 1 339.499 2.603 10 30 EFEEMP C=CCC[N@H+]1CC[C@@H](CCNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267575150 1095792115 /nfs/dbraw/zinc/79/21/15/1095792115.db2.gz CWCJFXGMETZVIJ-VQIMIIECSA-N 2 1 339.499 2.603 10 30 EFEEMP C=CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267575150 1095792125 /nfs/dbraw/zinc/79/21/25/1095792125.db2.gz CWCJFXGMETZVIJ-VQIMIIECSA-N 2 1 339.499 2.603 10 30 EFEEMP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267588527 1096008921 /nfs/dbraw/zinc/00/89/21/1096008921.db2.gz CLJRBISACUQXRT-QFBILLFUSA-N 2 1 339.499 2.555 10 30 EFEEMP C=CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001267588527 1096008934 /nfs/dbraw/zinc/00/89/34/1096008934.db2.gz CLJRBISACUQXRT-QFBILLFUSA-N 2 1 339.499 2.555 10 30 EFEEMP C=CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001267588527 1096008943 /nfs/dbraw/zinc/00/89/43/1096008943.db2.gz CLJRBISACUQXRT-QFBILLFUSA-N 2 1 339.499 2.555 10 30 EFEEMP C#CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001268187388 1096052635 /nfs/dbraw/zinc/05/26/35/1096052635.db2.gz DJKWKMOJKKWCQJ-UYAOXDASSA-N 2 1 347.547 2.881 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@@H+](C)C[C@H](C)CC)CC1 ZINC001268199062 1096085881 /nfs/dbraw/zinc/08/58/81/1096085881.db2.gz CQKDBMQGSGVEQL-QUCCMNQESA-N 2 1 347.547 2.691 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@H+](C)C[C@H](C)CC)CC1 ZINC001268199062 1096085894 /nfs/dbraw/zinc/08/58/94/1096085894.db2.gz CQKDBMQGSGVEQL-QUCCMNQESA-N 2 1 347.547 2.691 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](C)C[C@H](C)CC)CC1 ZINC001268199062 1096085907 /nfs/dbraw/zinc/08/59/07/1096085907.db2.gz 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HJSCIPPOUHAQHV-KRWDZBQOSA-N 2 1 344.503 2.861 10 30 EFEEMP C=CCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001268965470 1097751160 /nfs/dbraw/zinc/75/11/60/1097751160.db2.gz QFJFVLBNHUAQHE-VJANTYMQSA-N 2 1 333.520 2.748 10 30 EFEEMP C=CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001268965470 1097751166 /nfs/dbraw/zinc/75/11/66/1097751166.db2.gz QFJFVLBNHUAQHE-VJANTYMQSA-N 2 1 333.520 2.748 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001269202806 1097942475 /nfs/dbraw/zinc/94/24/75/1097942475.db2.gz BOLDJNYNSGXGPU-PKOBYXMFSA-N 2 1 329.488 2.664 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001269202806 1097942480 /nfs/dbraw/zinc/94/24/80/1097942480.db2.gz BOLDJNYNSGXGPU-PKOBYXMFSA-N 2 1 329.488 2.664 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001269202806 1097942488 /nfs/dbraw/zinc/94/24/88/1097942488.db2.gz BOLDJNYNSGXGPU-PKOBYXMFSA-N 2 1 329.488 2.664 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001269202806 1097942494 /nfs/dbraw/zinc/94/24/94/1097942494.db2.gz BOLDJNYNSGXGPU-PKOBYXMFSA-N 2 1 329.488 2.664 10 30 EFEEMP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C(C)C ZINC001269575080 1098261691 /nfs/dbraw/zinc/26/16/91/1098261691.db2.gz NNJJGSACRGOPOZ-AYHJJNSGSA-N 2 1 342.487 2.532 10 30 EFEEMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CCCC1 ZINC001482232113 1098263620 /nfs/dbraw/zinc/26/36/20/1098263620.db2.gz ALAKISSJOVKXGN-JKSUJKDBSA-N 2 1 339.911 2.774 10 30 EFEEMP C=C(C)C[NH2+]C[C@@](C)(NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001269634042 1098312073 /nfs/dbraw/zinc/31/20/73/1098312073.db2.gz JLFIQEHCKBQDRQ-MOPGFXCFSA-N 2 1 339.499 2.650 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001269700438 1098377586 /nfs/dbraw/zinc/37/75/86/1098377586.db2.gz XSBYXSZASGREKF-OAQYLSRUSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)CC2 ZINC001482243296 1098449774 /nfs/dbraw/zinc/44/97/74/1098449774.db2.gz FSAMKMNFSQCLOK-CEXWTWQISA-N 2 1 347.547 2.996 10 30 EFEEMP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)cc1 ZINC001270065153 1098649995 /nfs/dbraw/zinc/64/99/95/1098649995.db2.gz FZBJLIBDMDBZJW-IBGZPJMESA-N 2 1 329.488 2.843 10 30 EFEEMP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2CCC)cc1 ZINC001270065154 1098650298 /nfs/dbraw/zinc/65/02/98/1098650298.db2.gz FZBJLIBDMDBZJW-LJQANCHMSA-N 2 1 329.488 2.843 10 30 EFEEMP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)cc1 ZINC001270075601 1098664995 /nfs/dbraw/zinc/66/49/95/1098664995.db2.gz HWIWQABPPPWFEZ-UXHICEINSA-N 2 1 341.499 2.985 10 30 EFEEMP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2CC)cc1 ZINC001270088757 1098681464 /nfs/dbraw/zinc/68/14/64/1098681464.db2.gz QNOPGTPZDLLZAB-LJQANCHMSA-N 2 1 329.488 2.843 10 30 EFEEMP C#CCC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001270118326 1098715007 /nfs/dbraw/zinc/71/50/07/1098715007.db2.gz MIRLJUQSJAPHDW-HXUWFJFHSA-N 2 1 345.531 2.635 10 30 EFEEMP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001267936147 1098744427 /nfs/dbraw/zinc/74/44/27/1098744427.db2.gz IJBYNNZWHPRRRJ-LJQANCHMSA-N 2 1 329.488 2.841 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001267942407 1098774972 /nfs/dbraw/zinc/77/49/72/1098774972.db2.gz FSAXUUOXGBKNIL-MRXNPFEDSA-N 2 1 326.444 2.803 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001481242875 1098821745 /nfs/dbraw/zinc/82/17/45/1098821745.db2.gz YWBQJVWWSJVQBF-YJBOKZPZSA-N 2 1 347.890 2.547 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001481242875 1098821756 /nfs/dbraw/zinc/82/17/56/1098821756.db2.gz YWBQJVWWSJVQBF-YJBOKZPZSA-N 2 1 347.890 2.547 10 30 EFEEMP C=CCCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)CC2 ZINC001270328906 1098967428 /nfs/dbraw/zinc/96/74/28/1098967428.db2.gz MJKKNVGRVZAKPX-SFHVURJKSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C)CC2 ZINC001270328906 1098967442 /nfs/dbraw/zinc/96/74/42/1098967442.db2.gz MJKKNVGRVZAKPX-SFHVURJKSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C)CC2 ZINC001270328906 1098967455 /nfs/dbraw/zinc/96/74/55/1098967455.db2.gz MJKKNVGRVZAKPX-SFHVURJKSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)C1(C[NH+](C)C)CCCCC1)CC2 ZINC001270335707 1098975874 /nfs/dbraw/zinc/97/58/74/1098975874.db2.gz HZKNJLBTUYUSQN-UHFFFAOYSA-N 2 1 347.547 2.999 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC1CCC(C)(C)CC1 ZINC001270428009 1099082288 /nfs/dbraw/zinc/08/22/88/1099082288.db2.gz UQDRPRPHIKWYEU-MJGOQNOKSA-N 2 1 347.547 2.642 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC1CCC(C)(C)CC1 ZINC001270428009 1099082302 /nfs/dbraw/zinc/08/23/02/1099082302.db2.gz UQDRPRPHIKWYEU-MJGOQNOKSA-N 2 1 347.547 2.642 10 30 EFEEMP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1CCCC1 ZINC001270443375 1099093782 /nfs/dbraw/zinc/09/37/82/1099093782.db2.gz SKROWSHJFZDMQK-OALUTQOASA-N 2 1 333.520 2.537 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCCCC)CC1 ZINC001270505796 1099154978 /nfs/dbraw/zinc/15/49/78/1099154978.db2.gz VISCSQPWEKSMBZ-UXHICEINSA-N 2 1 345.531 2.587 10 30 EFEEMP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001270511545 1099158679 /nfs/dbraw/zinc/15/86/79/1099158679.db2.gz BPIXOPAGJHYWJX-NRFANRHFSA-N 2 1 345.531 2.590 10 30 EFEEMP C=CCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001270513005 1099164364 /nfs/dbraw/zinc/16/43/64/1099164364.db2.gz MSTOMXKSNAYVBO-FPOVZHCZSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C(C)C ZINC001615894784 1099166437 /nfs/dbraw/zinc/16/64/37/1099166437.db2.gz MITZBKBYYBTEQU-CEXWTWQISA-N 2 1 333.520 2.818 10 30 EFEEMP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001481335563 1099352444 /nfs/dbraw/zinc/35/24/44/1099352444.db2.gz UHVZTCVDWQHIFM-SJORKVTESA-N 2 1 344.503 2.637 10 30 EFEEMP C=C(Cl)C[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)C(C)C ZINC001481352632 1099428639 /nfs/dbraw/zinc/42/86/39/1099428639.db2.gz FIWSPZIITYHSJQ-UHFFFAOYSA-N 2 1 329.916 2.830 10 30 EFEEMP CC(C)[NH+](CC#Cc1ccccc1)CCCNC(=O)C[N@H+](C)C(C)C ZINC001481358347 1099461383 /nfs/dbraw/zinc/46/13/83/1099461383.db2.gz RWOZPQOSFVADEH-UHFFFAOYSA-N 2 1 343.515 2.595 10 30 EFEEMP CC(C)[NH+](C)CC(=O)NCCC[N@H+](CC#Cc1ccccc1)C(C)C ZINC001481358347 1099461385 /nfs/dbraw/zinc/46/13/85/1099461385.db2.gz RWOZPQOSFVADEH-UHFFFAOYSA-N 2 1 343.515 2.595 10 30 EFEEMP CC(C)[NH+](C)CC(=O)NCCC[N@@H+](CC#Cc1ccccc1)C(C)C ZINC001481358347 1099461388 /nfs/dbraw/zinc/46/13/88/1099461388.db2.gz RWOZPQOSFVADEH-UHFFFAOYSA-N 2 1 343.515 2.595 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)Cn2ccnc2C(C)C)C1 ZINC001481408940 1099663274 /nfs/dbraw/zinc/66/32/74/1099663274.db2.gz VKDYBWCMTDDVLC-QGZVFWFLSA-N 2 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ZINC001664683684 1104502107 /nfs/dbraw/zinc/50/21/07/1104502107.db2.gz OEJXGNMQGFPWMS-LJQANCHMSA-N 2 1 329.488 2.861 10 30 EFEEMP C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001664849907 1104577198 /nfs/dbraw/zinc/57/71/98/1104577198.db2.gz VGXBQGSEURKUSU-LJQANCHMSA-N 2 1 347.547 2.855 10 30 EFEEMP CCCCCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001272078522 1104608321 /nfs/dbraw/zinc/60/83/21/1104608321.db2.gz MCWVRPKZJSVODF-IPMKNSEASA-N 2 1 335.536 2.974 10 30 EFEEMP CCCCCCC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001272078522 1104608330 /nfs/dbraw/zinc/60/83/30/1104608330.db2.gz MCWVRPKZJSVODF-IPMKNSEASA-N 2 1 335.536 2.974 10 30 EFEEMP CCCCCCC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001272078522 1104608338 /nfs/dbraw/zinc/60/83/38/1104608338.db2.gz MCWVRPKZJSVODF-IPMKNSEASA-N 2 1 335.536 2.974 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001482628300 1104688036 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C=C(C)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001667394236 1105138303 /nfs/dbraw/zinc/13/83/03/1105138303.db2.gz RLQRPXPZYKURTC-FUHWJXTLSA-N 2 1 332.492 2.765 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001667394238 1105138587 /nfs/dbraw/zinc/13/85/87/1105138587.db2.gz RLQRPXPZYKURTC-WMZOPIPTSA-N 2 1 332.492 2.765 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC001669930031 1105547605 /nfs/dbraw/zinc/54/76/05/1105547605.db2.gz HICYABLJAJVGDU-ROUUACIJSA-N 2 1 341.499 2.529 10 30 EFEEMP C=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001669986815 1105565602 /nfs/dbraw/zinc/56/56/02/1105565602.db2.gz WKYHBCYINQIBBG-RTBURBONSA-N 2 1 329.488 2.569 10 30 EFEEMP C=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001669986815 1105565610 /nfs/dbraw/zinc/56/56/10/1105565610.db2.gz WKYHBCYINQIBBG-RTBURBONSA-N 2 1 329.488 2.569 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001671298631 1105625016 /nfs/dbraw/zinc/62/50/16/1105625016.db2.gz XXVKUHFRUFYQQK-DLBZAZTESA-N 2 1 332.492 2.943 10 30 EFEEMP C#CCN(C(=O)CC[N@H+](C)C1CCCCC1)C1CC[NH+](CC=C)CC1 ZINC001671485495 1105644035 /nfs/dbraw/zinc/64/40/35/1105644035.db2.gz RMRZSKPXRUVDPI-UHFFFAOYSA-N 2 1 345.531 2.753 10 30 EFEEMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CC/C=C/CCC)CC1 ZINC001671504018 1105647119 /nfs/dbraw/zinc/64/71/19/1105647119.db2.gz KTBVRAWXZFCFSR-IHHMQQGQSA-N 2 1 345.531 2.611 10 30 EFEEMP C#CCN(C(=O)Cn1cc[nH+]c1C)C1CC[NH+](CC(CC)CC)CC1 ZINC001671508282 1105648022 /nfs/dbraw/zinc/64/80/22/1105648022.db2.gz UDADSCHEDOTFJQ-UHFFFAOYSA-N 2 1 344.503 2.554 10 30 EFEEMP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)c1ccc2ccccc2c1 ZINC001671512414 1105648924 /nfs/dbraw/zinc/64/89/24/1105648924.db2.gz HMLYSJVJLQJHJX-LEWJYISDSA-N 2 1 349.478 2.562 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001671643333 1105675333 /nfs/dbraw/zinc/67/53/33/1105675333.db2.gz GRACFFRPLIHTAG-APWZRJJASA-N 2 1 332.492 2.943 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001671643333 1105675335 /nfs/dbraw/zinc/67/53/35/1105675335.db2.gz GRACFFRPLIHTAG-APWZRJJASA-N 2 1 332.492 2.943 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001671643334 1105676030 /nfs/dbraw/zinc/67/60/30/1105676030.db2.gz GRACFFRPLIHTAG-LPHOPBHVSA-N 2 1 332.492 2.943 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001671643334 1105676032 /nfs/dbraw/zinc/67/60/32/1105676032.db2.gz GRACFFRPLIHTAG-LPHOPBHVSA-N 2 1 332.492 2.943 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001671886985 1105721561 /nfs/dbraw/zinc/72/15/61/1105721561.db2.gz FREKBZVTJSZLNN-AZUAARDMSA-N 2 1 333.520 2.513 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001671891908 1105722840 /nfs/dbraw/zinc/72/28/40/1105722840.db2.gz ILGQGLKQUCOCKO-LJQANCHMSA-N 2 1 333.520 2.657 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001671916150 1105729670 /nfs/dbraw/zinc/72/96/70/1105729670.db2.gz FRRPQDVMHFDYCR-FPOVZHCZSA-N 2 1 347.547 2.739 10 30 EFEEMP C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001672246034 1105784455 /nfs/dbraw/zinc/78/44/55/1105784455.db2.gz DNBVFQKALYQKLA-MJGOQNOKSA-N 2 1 329.488 2.521 10 30 EFEEMP C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001672246034 1105784457 /nfs/dbraw/zinc/78/44/57/1105784457.db2.gz DNBVFQKALYQKLA-MJGOQNOKSA-N 2 1 329.488 2.521 10 30 EFEEMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001672348351 1105808199 /nfs/dbraw/zinc/80/81/99/1105808199.db2.gz MOWQKKJIQHUXNR-REPLKXPHSA-N 2 1 345.531 2.633 10 30 EFEEMP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001672400506 1105823551 /nfs/dbraw/zinc/82/35/51/1105823551.db2.gz GGRHTUMUKTZMJF-NRFANRHFSA-N 2 1 349.478 2.541 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]2C1 ZINC001672416151 1105827252 /nfs/dbraw/zinc/82/72/52/1105827252.db2.gz CRALWFHIIYVQMF-QRVBRYPASA-N 2 1 347.547 2.996 10 30 EFEEMP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@H]2C1 ZINC001672420189 1105828652 /nfs/dbraw/zinc/82/86/52/1105828652.db2.gz WSYPNKRVNFLGSL-NSHGMRRFSA-N 2 1 345.531 2.750 10 30 EFEEMP C=CCCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C[C@H]2C1 ZINC001672420189 1105828660 /nfs/dbraw/zinc/82/86/60/1105828660.db2.gz WSYPNKRVNFLGSL-NSHGMRRFSA-N 2 1 345.531 2.750 10 30 EFEEMP C=CCCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C[C@H]2C1 ZINC001672420189 1105828668 /nfs/dbraw/zinc/82/86/68/1105828668.db2.gz WSYPNKRVNFLGSL-NSHGMRRFSA-N 2 1 345.531 2.750 10 30 EFEEMP C=CCC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001672925031 1105939723 /nfs/dbraw/zinc/93/97/23/1105939723.db2.gz NUKWOIYWSWWWNF-VQIMIIECSA-N 2 1 329.488 2.651 10 30 EFEEMP C=CCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001672925031 1105939729 /nfs/dbraw/zinc/93/97/29/1105939729.db2.gz NUKWOIYWSWWWNF-VQIMIIECSA-N 2 1 329.488 2.651 10 30 EFEEMP C=CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001672925031 1105939736 /nfs/dbraw/zinc/93/97/36/1105939736.db2.gz NUKWOIYWSWWWNF-VQIMIIECSA-N 2 1 329.488 2.651 10 30 EFEEMP C=CCCC[NH+]1CCc2c(CNC(=O)[C@@H]3CCC[N@@H+]3C)cccc2C1 ZINC001673075831 1105969489 /nfs/dbraw/zinc/96/94/89/1105969489.db2.gz SHBSRDDYTIYUJC-FQEVSTJZSA-N 2 1 341.499 2.721 10 30 EFEEMP C=CCCC[N@H+]1CCc2c(CNC(=O)[C@@H]3CCC[NH+]3C)cccc2C1 ZINC001673075831 1105969492 /nfs/dbraw/zinc/96/94/92/1105969492.db2.gz SHBSRDDYTIYUJC-FQEVSTJZSA-N 2 1 341.499 2.721 10 30 EFEEMP C=CCCC[N@@H+]1CCc2c(CNC(=O)[C@@H]3CCC[NH+]3C)cccc2C1 ZINC001673075831 1105969495 /nfs/dbraw/zinc/96/94/95/1105969495.db2.gz SHBSRDDYTIYUJC-FQEVSTJZSA-N 2 1 341.499 2.721 10 30 EFEEMP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CCC1 ZINC001673202188 1105983934 /nfs/dbraw/zinc/98/39/34/1105983934.db2.gz UBJOIKJRSLKBCK-GOSISDBHSA-N 2 1 333.520 2.988 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)CCCC(C)(C)C ZINC001673446419 1106026685 /nfs/dbraw/zinc/02/66/85/1106026685.db2.gz YQAPBQGHCWKSBJ-SFHVURJKSA-N 2 1 335.536 2.691 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)CCCC(C)(C)C ZINC001673446419 1106026690 /nfs/dbraw/zinc/02/66/90/1106026690.db2.gz YQAPBQGHCWKSBJ-SFHVURJKSA-N 2 1 335.536 2.691 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)CCCC(C)(C)C ZINC001673446419 1106026694 /nfs/dbraw/zinc/02/66/94/1106026694.db2.gz YQAPBQGHCWKSBJ-SFHVURJKSA-N 2 1 335.536 2.691 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)CCCC(C)(C)C ZINC001673446419 1106026702 /nfs/dbraw/zinc/02/67/02/1106026702.db2.gz YQAPBQGHCWKSBJ-SFHVURJKSA-N 2 1 335.536 2.691 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001673496140 1106034331 /nfs/dbraw/zinc/03/43/31/1106034331.db2.gz HMPBSMNBXHFNCE-RBUKOAKNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001673651155 1106068474 /nfs/dbraw/zinc/06/84/74/1106068474.db2.gz RBKKHSHZAOSQMO-AZUAARDMSA-N 2 1 335.536 2.997 10 30 EFEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001674033027 1106127858 /nfs/dbraw/zinc/12/78/58/1106127858.db2.gz DTTMOXSMCRZEBX-RBUKOAKNSA-N 2 1 347.547 2.737 10 30 EFEEMP C=C(C)CC[N@H+](CC)CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001674347405 1106175250 /nfs/dbraw/zinc/17/52/50/1106175250.db2.gz DMCGUHSAIYDGDN-UHFFFAOYSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001674480699 1106201144 /nfs/dbraw/zinc/20/11/44/1106201144.db2.gz KFKYXNVAJWXFBD-PKOBYXMFSA-N 2 1 344.503 2.643 10 30 EFEEMP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001674480699 1106201148 /nfs/dbraw/zinc/20/11/48/1106201148.db2.gz KFKYXNVAJWXFBD-PKOBYXMFSA-N 2 1 344.503 2.643 10 30 EFEEMP C=CCC[NH+]1CCC[C@H](C2CCN(C(=O)CC[N@H+](C)CC)CC2)C1 ZINC001674510037 1106211295 /nfs/dbraw/zinc/21/12/95/1106211295.db2.gz ASTARCDTMGXVSD-IBGZPJMESA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001674510037 1106211297 /nfs/dbraw/zinc/21/12/97/1106211297.db2.gz ASTARCDTMGXVSD-IBGZPJMESA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001674510037 1106211301 /nfs/dbraw/zinc/21/13/01/1106211301.db2.gz ASTARCDTMGXVSD-IBGZPJMESA-N 2 1 335.536 2.855 10 30 EFEEMP C#CC[NH2+][C@H](CCN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1)C(C)C ZINC001675129999 1106305436 /nfs/dbraw/zinc/30/54/36/1106305436.db2.gz RGQPYYICCOUACW-GOSISDBHSA-N 2 1 335.536 2.735 10 30 EFEEMP C=CC[NH2+]C[C@@H](CCCC)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001675234690 1106320725 /nfs/dbraw/zinc/32/07/25/1106320725.db2.gz ZOVIMAAVKQBQFN-QAPCUYQASA-N 2 1 327.488 2.650 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@]2(C)C1 ZINC001675693096 1106412413 /nfs/dbraw/zinc/41/24/13/1106412413.db2.gz RBVRIIAPMNKOTC-JYAXBFRTSA-N 2 1 347.547 2.996 10 30 EFEEMP C=CCC[C@H](C)[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@]2(C)C1 ZINC001675693096 1106412417 /nfs/dbraw/zinc/41/24/17/1106412417.db2.gz RBVRIIAPMNKOTC-JYAXBFRTSA-N 2 1 347.547 2.996 10 30 EFEEMP C=CCC[C@H](C)[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@@]2(C)C1 ZINC001675693096 1106412420 /nfs/dbraw/zinc/41/24/20/1106412420.db2.gz RBVRIIAPMNKOTC-JYAXBFRTSA-N 2 1 347.547 2.996 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N2CCC([N@H+](C)[C@@H](C)CCC=C)CC2)CC1 ZINC001676082190 1106482168 /nfs/dbraw/zinc/48/21/68/1106482168.db2.gz HAGPPDLUZJUQJA-SFHVURJKSA-N 2 1 345.531 2.609 10 30 EFEEMP CC#CC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H]1C ZINC001676879080 1106614679 /nfs/dbraw/zinc/61/46/79/1106614679.db2.gz KNHGPVMOVSFGEV-HKUYNNGSSA-N 2 1 333.520 2.633 10 30 EFEEMP CC#CC[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H]1C ZINC001676879080 1106614683 /nfs/dbraw/zinc/61/46/83/1106614683.db2.gz KNHGPVMOVSFGEV-HKUYNNGSSA-N 2 1 333.520 2.633 10 30 EFEEMP CC#CC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H]1C ZINC001676879080 1106614684 /nfs/dbraw/zinc/61/46/84/1106614684.db2.gz KNHGPVMOVSFGEV-HKUYNNGSSA-N 2 1 333.520 2.633 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001676958783 1106635990 /nfs/dbraw/zinc/63/59/90/1106635990.db2.gz NNWVHCYHYRBTNX-SJORKVTESA-N 2 1 332.492 2.847 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001676958781 1106636064 /nfs/dbraw/zinc/63/60/64/1106636064.db2.gz NNWVHCYHYRBTNX-IAGOWNOFSA-N 2 1 332.492 2.847 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC/C=C\CCC)C(C)(C)C1 ZINC001677003800 1106647186 /nfs/dbraw/zinc/64/71/86/1106647186.db2.gz LITBNLLAJDUVPS-IDPBEMBBSA-N 2 1 345.531 2.657 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC/C=C\CCC)C(C)(C)C1 ZINC001677003800 1106647189 /nfs/dbraw/zinc/64/71/89/1106647189.db2.gz LITBNLLAJDUVPS-IDPBEMBBSA-N 2 1 345.531 2.657 10 30 EFEEMP C=CCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C(C)(C)C ZINC001677276353 1106689169 /nfs/dbraw/zinc/68/91/69/1106689169.db2.gz BASNPDCUHUGNRJ-SJLPKXTDSA-N 2 1 346.519 2.841 10 30 EFEEMP C=CCCC[NH+]1CCC([C@H](C)NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001677367905 1106706603 /nfs/dbraw/zinc/70/66/03/1106706603.db2.gz QEVPFNUBMXMBBV-PXNSSMCTSA-N 2 1 333.520 2.655 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@@H+](CCCCCC)CC2)CC1 ZINC001677632685 1106795594 /nfs/dbraw/zinc/79/55/94/1106795594.db2.gz SOOFIZGDLYWDNC-UHFFFAOYSA-N 2 1 345.531 2.660 10 30 EFEEMP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c(F)c1 ZINC001677643670 1106804196 /nfs/dbraw/zinc/80/41/96/1106804196.db2.gz VLSOIDZQNDUMLN-IBGZPJMESA-N 2 1 347.478 2.980 10 30 EFEEMP C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001409349835 1107635873 /nfs/dbraw/zinc/63/58/73/1107635873.db2.gz GROXEQLBNBWASZ-HZPDHXFCSA-N 2 1 344.503 2.519 10 30 EFEEMP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001272439416 1108317311 /nfs/dbraw/zinc/31/73/11/1108317311.db2.gz HKLGTDFQDGSFML-QZTJIDSGSA-N 2 1 333.520 2.655 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001483800412 1112459560 /nfs/dbraw/zinc/45/95/60/1112459560.db2.gz YVWAZYKVWZNDNR-LJQANCHMSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCCn2cc[nH+]c2C)C1 ZINC001483802973 1112466398 /nfs/dbraw/zinc/46/63/98/1112466398.db2.gz XUZAQWHZGAQZIC-OALUTQOASA-N 2 1 344.503 2.861 10 30 EFEEMP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCCn2cc[nH+]c2C)C1 ZINC001483802973 1112466400 /nfs/dbraw/zinc/46/64/00/1112466400.db2.gz XUZAQWHZGAQZIC-OALUTQOASA-N 2 1 344.503 2.861 10 30 EFEEMP C=CCCC[NH+](CC1CC1)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001483817746 1112468197 /nfs/dbraw/zinc/46/81/97/1112468197.db2.gz XVGRIFDUAFYNQP-IBGZPJMESA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@H+](CC1CC1)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001483817746 1112468198 /nfs/dbraw/zinc/46/81/98/1112468198.db2.gz XVGRIFDUAFYNQP-IBGZPJMESA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@@H+](CC1CC1)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001483817746 1112468199 /nfs/dbraw/zinc/46/81/99/1112468199.db2.gz XVGRIFDUAFYNQP-IBGZPJMESA-N 2 1 347.547 2.997 10 30 EFEEMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001483816517 1112485087 /nfs/dbraw/zinc/48/50/87/1112485087.db2.gz DIUOTUGSKMSQFB-VQTJNVASSA-N 2 1 345.531 2.892 10 30 EFEEMP C=CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001483816517 1112485090 /nfs/dbraw/zinc/48/50/90/1112485090.db2.gz DIUOTUGSKMSQFB-VQTJNVASSA-N 2 1 345.531 2.892 10 30 EFEEMP C=CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001483816517 1112485092 /nfs/dbraw/zinc/48/50/92/1112485092.db2.gz DIUOTUGSKMSQFB-VQTJNVASSA-N 2 1 345.531 2.892 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001483829262 1112489621 /nfs/dbraw/zinc/48/96/21/1112489621.db2.gz BRCPHMCSKWVKQO-HKUYNNGSSA-N 2 1 339.499 2.557 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001483846871 1112507891 /nfs/dbraw/zinc/50/78/91/1112507891.db2.gz CUASOIYTZPYSFC-RXVVDRJESA-N 2 1 347.547 2.997 10 30 EFEEMP CCCCCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001483847033 1112508564 /nfs/dbraw/zinc/50/85/64/1112508564.db2.gz IGSYNHXAGQXSAU-QUCCMNQESA-N 2 1 335.536 2.833 10 30 EFEEMP CCCCCCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001483847033 1112508568 /nfs/dbraw/zinc/50/85/68/1112508568.db2.gz IGSYNHXAGQXSAU-QUCCMNQESA-N 2 1 335.536 2.833 10 30 EFEEMP CCCCCCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001483847033 1112508570 /nfs/dbraw/zinc/50/85/70/1112508570.db2.gz IGSYNHXAGQXSAU-QUCCMNQESA-N 2 1 335.536 2.833 10 30 EFEEMP CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001484022940 1112676542 /nfs/dbraw/zinc/67/65/42/1112676542.db2.gz RRRINYZHNXPKKU-PZJWPPBQSA-N 2 1 347.547 2.835 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001484173459 1112867075 /nfs/dbraw/zinc/86/70/75/1112867075.db2.gz FUTMYEWDTINPGP-AEFFLSMTSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001484173459 1112867079 /nfs/dbraw/zinc/86/70/79/1112867079.db2.gz FUTMYEWDTINPGP-AEFFLSMTSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001484173459 1112867085 /nfs/dbraw/zinc/86/70/85/1112867085.db2.gz FUTMYEWDTINPGP-AEFFLSMTSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001484173459 1112867089 /nfs/dbraw/zinc/86/70/89/1112867089.db2.gz FUTMYEWDTINPGP-AEFFLSMTSA-N 2 1 341.927 2.832 10 30 EFEEMP CC#CC[N@@H+](C)Cc1ccccc1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001484553448 1113005827 /nfs/dbraw/zinc/00/58/27/1113005827.db2.gz FHFUERCEFVTYSO-HXUWFJFHSA-N 2 1 341.499 2.632 10 30 EFEEMP CC#CC[NH+](C)Cc1ccccc1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001484553448 1113005829 /nfs/dbraw/zinc/00/58/29/1113005829.db2.gz FHFUERCEFVTYSO-HXUWFJFHSA-N 2 1 341.499 2.632 10 30 EFEEMP CC#CC[NH+](C)Cc1ccccc1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001484553448 1113005832 /nfs/dbraw/zinc/00/58/32/1113005832.db2.gz FHFUERCEFVTYSO-HXUWFJFHSA-N 2 1 341.499 2.632 10 30 EFEEMP C=CC[N@@H+]1CCc2c(CNC(=O)C[NH+]3CCC(C)CC3)cccc2C1 ZINC001484612397 1113054390 /nfs/dbraw/zinc/05/43/90/1113054390.db2.gz BTCAJWPGKAPGHI-UHFFFAOYSA-N 2 1 341.499 2.579 10 30 EFEEMP C=CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001484916022 1117815455 /nfs/dbraw/zinc/81/54/55/1117815455.db2.gz HTZBRFMIZBOTCZ-QGZVFWFLSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001484916021 1117815634 /nfs/dbraw/zinc/81/56/34/1117815634.db2.gz HTZBRFMIZBOTCZ-KRWDZBQOSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001484917465 1117817355 /nfs/dbraw/zinc/81/73/55/1117817355.db2.gz HKIUJBJQTKQDDO-SFHVURJKSA-N 2 1 333.520 2.940 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001484943294 1117870390 /nfs/dbraw/zinc/87/03/90/1117870390.db2.gz MBQJXRPXJROMPZ-MSOLQXFVSA-N 2 1 335.536 2.900 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCCCC)[C@@H](C)C2)CC1 ZINC001484985784 1117911778 /nfs/dbraw/zinc/91/17/78/1117911778.db2.gz KRNIOMXOKWWTOA-AZUAARDMSA-N 2 1 347.547 2.881 10 30 EFEEMP C=CCCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001485005321 1117934707 /nfs/dbraw/zinc/93/47/07/1117934707.db2.gz ALINJPKBGKCMAS-FQEVSTJZSA-N 2 1 341.499 2.764 10 30 EFEEMP C=C(C)C[NH+]1CCc2ccccc2[C@H]1CNC(=O)C[N@@H+](C)CCC ZINC001485006076 1117936956 /nfs/dbraw/zinc/93/69/56/1117936956.db2.gz IXXZOAFCMVEHSL-LJQANCHMSA-N 2 1 329.488 2.620 10 30 EFEEMP C=C(C)C[NH+]1CCc2ccccc2[C@H]1CNC(=O)C[N@H+](C)CCC ZINC001485006076 1117936959 /nfs/dbraw/zinc/93/69/59/1117936959.db2.gz IXXZOAFCMVEHSL-LJQANCHMSA-N 2 1 329.488 2.620 10 30 EFEEMP C=C(C)C[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C[NH+](C)CCC ZINC001485006076 1117936961 /nfs/dbraw/zinc/93/69/61/1117936961.db2.gz IXXZOAFCMVEHSL-LJQANCHMSA-N 2 1 329.488 2.620 10 30 EFEEMP C=C(C)C[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C[NH+](C)CCC ZINC001485006076 1117936963 /nfs/dbraw/zinc/93/69/63/1117936963.db2.gz IXXZOAFCMVEHSL-LJQANCHMSA-N 2 1 329.488 2.620 10 30 EFEEMP C=CCC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001485031729 1117957084 /nfs/dbraw/zinc/95/70/84/1117957084.db2.gz TUQWWSSBSWPDGE-LJQANCHMSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001485031729 1117957085 /nfs/dbraw/zinc/95/70/85/1117957085.db2.gz TUQWWSSBSWPDGE-LJQANCHMSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001485031729 1117957088 /nfs/dbraw/zinc/95/70/88/1117957088.db2.gz TUQWWSSBSWPDGE-LJQANCHMSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCC[N@H+](CC)CC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001485031871 1117957329 /nfs/dbraw/zinc/95/73/29/1117957329.db2.gz VBRRTJFZERDBKB-FQEVSTJZSA-N 2 1 347.547 2.855 10 30 EFEEMP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccc(-n2ccnc2)cc1 ZINC001485062007 1118003339 /nfs/dbraw/zinc/00/33/39/1118003339.db2.gz WIESGCYDHHTRLU-IBGZPJMESA-N 2 1 338.455 2.985 10 30 EFEEMP C=CC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001485081523 1118030920 /nfs/dbraw/zinc/03/09/20/1118030920.db2.gz FCYMCSNXZWOJFX-MSOLQXFVSA-N 2 1 335.536 2.711 10 30 EFEEMP C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001485081523 1118030924 /nfs/dbraw/zinc/03/09/24/1118030924.db2.gz FCYMCSNXZWOJFX-MSOLQXFVSA-N 2 1 335.536 2.711 10 30 EFEEMP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001485081523 1118030928 /nfs/dbraw/zinc/03/09/28/1118030928.db2.gz FCYMCSNXZWOJFX-MSOLQXFVSA-N 2 1 335.536 2.711 10 30 EFEEMP C=CC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001485081526 1118031253 /nfs/dbraw/zinc/03/12/53/1118031253.db2.gz FCYMCSNXZWOJFX-ZWKOTPCHSA-N 2 1 335.536 2.711 10 30 EFEEMP C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001485081526 1118031255 /nfs/dbraw/zinc/03/12/55/1118031255.db2.gz FCYMCSNXZWOJFX-ZWKOTPCHSA-N 2 1 335.536 2.711 10 30 EFEEMP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001485081526 1118031261 /nfs/dbraw/zinc/03/12/61/1118031261.db2.gz FCYMCSNXZWOJFX-ZWKOTPCHSA-N 2 1 335.536 2.711 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001485082269 1118032466 /nfs/dbraw/zinc/03/24/66/1118032466.db2.gz NVOJWBYXVFRLQM-MOPGFXCFSA-N 2 1 344.503 2.718 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001485082269 1118032471 /nfs/dbraw/zinc/03/24/71/1118032471.db2.gz NVOJWBYXVFRLQM-MOPGFXCFSA-N 2 1 344.503 2.718 10 30 EFEEMP CC#CC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC001485432754 1118345131 /nfs/dbraw/zinc/34/51/31/1118345131.db2.gz BWJMHXZULMDOSX-WOJBJXKFSA-N 2 1 347.547 2.879 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001485439682 1118351927 /nfs/dbraw/zinc/35/19/27/1118351927.db2.gz JCIQYSMLAYVODZ-JKSUJKDBSA-N 2 1 329.916 2.543 10 30 EFEEMP C=C(Cl)C[NH+]1CCCCC[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001485479492 1118406766 /nfs/dbraw/zinc/40/67/66/1118406766.db2.gz LBSNUVOTROEWGH-SJORKVTESA-N 2 1 341.927 2.974 10 30 EFEEMP C=C(Cl)C[NH+]1CCCCC[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001485479492 1118406768 /nfs/dbraw/zinc/40/67/68/1118406768.db2.gz LBSNUVOTROEWGH-SJORKVTESA-N 2 1 341.927 2.974 10 30 EFEEMP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001485479492 1118406772 /nfs/dbraw/zinc/40/67/72/1118406772.db2.gz LBSNUVOTROEWGH-SJORKVTESA-N 2 1 341.927 2.974 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001485479492 1118406773 /nfs/dbraw/zinc/40/67/73/1118406773.db2.gz LBSNUVOTROEWGH-SJORKVTESA-N 2 1 341.927 2.974 10 30 EFEEMP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001485479489 1118406917 /nfs/dbraw/zinc/40/69/17/1118406917.db2.gz LBSNUVOTROEWGH-DLBZAZTESA-N 2 1 341.927 2.974 10 30 EFEEMP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001485479489 1118406918 /nfs/dbraw/zinc/40/69/18/1118406918.db2.gz LBSNUVOTROEWGH-DLBZAZTESA-N 2 1 341.927 2.974 10 30 EFEEMP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001485479489 1118406920 /nfs/dbraw/zinc/40/69/20/1118406920.db2.gz LBSNUVOTROEWGH-DLBZAZTESA-N 2 1 341.927 2.974 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001485479489 1118406922 /nfs/dbraw/zinc/40/69/22/1118406922.db2.gz LBSNUVOTROEWGH-DLBZAZTESA-N 2 1 341.927 2.974 10 30 EFEEMP C=CCCC[N@@H+]1C[C@H](NC(=O)C(C)(C)n2cnc(C)c2)C(C)(C)C1 ZINC001485569805 1118456714 /nfs/dbraw/zinc/45/67/14/1118456714.db2.gz OJXQLJUFANHBPG-INIZCTEOSA-N 2 1 332.492 2.719 10 30 EFEEMP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001485653961 1118501003 /nfs/dbraw/zinc/50/10/03/1118501003.db2.gz OXEGSJIMNKUGIY-OKZBNKHCSA-N 2 1 333.520 2.654 10 30 EFEEMP C=C(C)C[NH2+]CCC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001485779324 1118587783 /nfs/dbraw/zinc/58/77/83/1118587783.db2.gz ADZKLVPYRXPIED-RTBURBONSA-N 2 1 329.488 2.742 10 30 EFEEMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940800534 1118633832 /nfs/dbraw/zinc/63/38/32/1118633832.db2.gz BZVSKDHTPKZNES-OALUTQOASA-N 2 1 345.531 2.633 10 30 EFEEMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000940800534 1118633833 /nfs/dbraw/zinc/63/38/33/1118633833.db2.gz BZVSKDHTPKZNES-OALUTQOASA-N 2 1 345.531 2.633 10 30 EFEEMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940800534 1118633836 /nfs/dbraw/zinc/63/38/36/1118633836.db2.gz BZVSKDHTPKZNES-OALUTQOASA-N 2 1 345.531 2.633 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000940988836 1118649072 /nfs/dbraw/zinc/64/90/72/1118649072.db2.gz YGINNJOXNAVKPH-SJLPKXTDSA-N 2 1 344.503 2.547 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000940988836 1118649073 /nfs/dbraw/zinc/64/90/73/1118649073.db2.gz YGINNJOXNAVKPH-SJLPKXTDSA-N 2 1 344.503 2.547 10 30 EFEEMP C[NH+](C)[C@]1(CNC(=[NH2+])Nc2cccc3c2CCCC3)CCSC1 ZINC000262458618 240353697 /nfs/dbraw/zinc/35/36/97/240353697.db2.gz LWNWFRTYMOSUIC-SFHVURJKSA-N 2 1 332.517 2.729 10 30 EFEEMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CC[C@@H](CSc2ccccc2)C1 ZINC000262459218 240354434 /nfs/dbraw/zinc/35/44/34/240354434.db2.gz LZEMWGRJPXYNOT-SJORKVTESA-N 2 1 346.544 2.770 10 30 EFEEMP CCO[C@@H]1C[C@@H](NC(NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)=[NH+]C)C12CCC2 ZINC000246326141 240268124 /nfs/dbraw/zinc/26/81/24/240268124.db2.gz FXCORWZNALXWQD-PYWTVGQWSA-N 2 1 348.535 2.514 10 30 EFEEMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000247549935 240282667 /nfs/dbraw/zinc/28/26/67/240282667.db2.gz DWZNHRRBAJFIKY-SJORKVTESA-N 2 1 332.492 2.896 10 30 EFEEMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000247549935 240282677 /nfs/dbraw/zinc/28/26/77/240282677.db2.gz DWZNHRRBAJFIKY-SJORKVTESA-N 2 1 332.492 2.896 10 30 EFEEMP C[NH+]=C(NC[C@H](C)[N@H+]1CCCC[C@@H]1C)N(C)Cc1csc(C)n1 ZINC000261831832 240327430 /nfs/dbraw/zinc/32/74/30/240327430.db2.gz VMNNAVUNSIDAKL-KBPBESRZSA-N 2 1 337.537 2.722 10 30 EFEEMP CC[NH+]=C(NCc1cc(F)cc(F)c1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261938906 240329401 /nfs/dbraw/zinc/32/94/01/240329401.db2.gz DCDFONLJSUMDMZ-YVEFUNNKSA-N 2 1 336.430 2.503 10 30 EFEEMP Cc1cn2c(n1)[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)CCC2 ZINC000328641468 241210192 /nfs/dbraw/zinc/21/01/92/241210192.db2.gz DHKGVWDATKLOAP-DOTOQJQBSA-N 2 1 346.475 2.669 10 30 EFEEMP Cc1cn2c(n1)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)CCC2 ZINC000328641659 241210224 /nfs/dbraw/zinc/21/02/24/241210224.db2.gz DHKGVWDATKLOAP-RDJZCZTQSA-N 2 1 346.475 2.669 10 30 EFEEMP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000352819329 146324169 /nfs/dbraw/zinc/32/41/69/146324169.db2.gz ARZWOTBPGQODOY-UHFFFAOYSA-N 2 1 330.457 2.635 10 30 EFEEMP C[N@@H+](C[C@H](O)CNCc1ccc(-c2ccccc2C#N)cc1)C1CC1 ZINC000579824528 324039324 /nfs/dbraw/zinc/03/93/24/324039324.db2.gz LSGPSWDJUMLSGD-HXUWFJFHSA-N 2 1 335.451 2.770 10 30 EFEEMP CN(C[C@H](O)C[NH2+]Cc1ccc(-c2ccccc2C#N)cc1)C1CC1 ZINC000579824528 324039326 /nfs/dbraw/zinc/03/93/26/324039326.db2.gz LSGPSWDJUMLSGD-HXUWFJFHSA-N 2 1 335.451 2.770 10 30 EFEEMP Cc1nc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)ccc1C#N ZINC000488070434 468069655 /nfs/dbraw/zinc/06/96/55/468069655.db2.gz OQDKAYBAGDHIIM-UHFFFAOYSA-N 2 1 327.476 2.624 10 30 EFEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000178745949 473553105 /nfs/dbraw/zinc/55/31/05/473553105.db2.gz RYNWLVJDDCVXCF-KRWDZBQOSA-N 2 1 337.427 2.556 10 30 EFEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000178745949 473553111 /nfs/dbraw/zinc/55/31/11/473553111.db2.gz RYNWLVJDDCVXCF-KRWDZBQOSA-N 2 1 337.427 2.556 10 30 EFEEMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000192539495 473690426 /nfs/dbraw/zinc/69/04/26/473690426.db2.gz AHEHUFGRWHNGHA-UHFFFAOYSA-N 2 1 331.485 2.730 10 30 EFEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000245933613 473764150 /nfs/dbraw/zinc/76/41/50/473764150.db2.gz KDGNFAPLXUWYCY-RDTXWAMCSA-N 2 1 337.427 2.555 10 30 EFEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000245933613 473764154 /nfs/dbraw/zinc/76/41/54/473764154.db2.gz KDGNFAPLXUWYCY-RDTXWAMCSA-N 2 1 337.427 2.555 10 30 EFEEMP N#Cc1ccc([C@H](O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246492469 473880708 /nfs/dbraw/zinc/88/07/08/473880708.db2.gz HFBJEBJKLBUFKD-YSIASYRMSA-N 2 1 325.456 2.540 10 30 EFEEMP N#Cc1ccc([C@H](O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246492469 473880713 /nfs/dbraw/zinc/88/07/13/473880713.db2.gz HFBJEBJKLBUFKD-YSIASYRMSA-N 2 1 325.456 2.540 10 30 EFEEMP N#Cc1ccc([C@H](O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246492469 473880720 /nfs/dbraw/zinc/88/07/20/473880720.db2.gz HFBJEBJKLBUFKD-YSIASYRMSA-N 2 1 325.456 2.540 10 30 EFEEMP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174899389 474114205 /nfs/dbraw/zinc/11/42/05/474114205.db2.gz KMMYACNCPFUFHW-XLIONFOSSA-N 2 1 326.488 2.721 10 30 EFEEMP C[C@H](c1ccc(C#N)cc1)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174899389 474114208 /nfs/dbraw/zinc/11/42/08/474114208.db2.gz KMMYACNCPFUFHW-XLIONFOSSA-N 2 1 326.488 2.721 10 30 EFEEMP Cn1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cc1C#N ZINC000310837548 474829220 /nfs/dbraw/zinc/82/92/20/474829220.db2.gz MZPDQXWKCNXPTO-HLAWJBBLSA-N 2 1 334.467 2.897 10 30 EFEEMP C=CCOc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000354017956 476368126 /nfs/dbraw/zinc/36/81/26/476368126.db2.gz NHZQZEBUMXFDQW-NQIIRXRSSA-N 2 1 343.515 2.709 10 30 EFEEMP C=CCOc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000354017956 476368130 /nfs/dbraw/zinc/36/81/30/476368130.db2.gz NHZQZEBUMXFDQW-NQIIRXRSSA-N 2 1 343.515 2.709 10 30 EFEEMP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(C#N)cc1F ZINC000423523500 477062039 /nfs/dbraw/zinc/06/20/39/477062039.db2.gz VXUOPXWMRJNKRX-ODIFPOPNSA-N 2 1 330.451 2.564 10 30 EFEEMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000535083043 478197118 /nfs/dbraw/zinc/19/71/18/478197118.db2.gz IGEOVKQWHHDAEO-UHFFFAOYSA-N 2 1 325.460 2.758 10 30 EFEEMP C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000594436823 478386332 /nfs/dbraw/zinc/38/63/32/478386332.db2.gz GGTKMVWQEDZFNT-BHIYHBOVSA-N 2 1 342.487 2.567 10 30 EFEEMP CN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000594441870 478390260 /nfs/dbraw/zinc/39/02/60/478390260.db2.gz XLXHXFRFKVKCSX-RBUKOAKNSA-N 2 1 342.487 2.521 10 30 EFEEMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600721942 478485096 /nfs/dbraw/zinc/48/50/96/478485096.db2.gz DARBHZQETGQEHT-APWZRJJASA-N 2 1 327.472 2.856 10 30 EFEEMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000600721949 478485807 /nfs/dbraw/zinc/48/58/07/478485807.db2.gz DARBHZQETGQEHT-QFBILLFUSA-N 2 1 327.472 2.856 10 30 EFEEMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)[C@@H]1c1cccs1 ZINC000600726704 478488288 /nfs/dbraw/zinc/48/82/88/478488288.db2.gz UFTSPPCDMZNAON-BFYDXBDKSA-N 2 1 333.501 2.775 10 30 EFEEMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)[C@@H]1c1cccs1 ZINC000600726704 478488294 /nfs/dbraw/zinc/48/82/94/478488294.db2.gz UFTSPPCDMZNAON-BFYDXBDKSA-N 2 1 333.501 2.775 10 30 EFEEMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CC2(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000600729931 478492718 /nfs/dbraw/zinc/49/27/18/478492718.db2.gz NVVHISCHCFAJKO-BHIYHBOVSA-N 2 1 327.472 2.684 10 30 EFEEMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CC2(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000600729931 478492721 /nfs/dbraw/zinc/49/27/21/478492721.db2.gz NVVHISCHCFAJKO-BHIYHBOVSA-N 2 1 327.472 2.684 10 30 EFEEMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CCCO1 ZINC000594937880 478595294 /nfs/dbraw/zinc/59/52/94/478595294.db2.gz JLONPGXACNZBPP-KRWDZBQOSA-N 2 1 327.472 2.832 10 30 EFEEMP CC(C)(C#N)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000594992571 478621375 /nfs/dbraw/zinc/62/13/75/478621375.db2.gz GVLPCKHWIMBAKY-IBGZPJMESA-N 2 1 327.472 2.831 10 30 EFEEMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000599364688 479270657 /nfs/dbraw/zinc/27/06/57/479270657.db2.gz ZSJHTCSEOFVCPN-KVPLUYHFSA-N 2 1 341.499 2.787 10 30 EFEEMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(C)c(C#N)c3)CC2)CC1 ZINC000599441130 479298930 /nfs/dbraw/zinc/29/89/30/479298930.db2.gz ZCTYKOBPWWVBOT-UHFFFAOYSA-N 2 1 340.515 2.859 10 30 EFEEMP CCN1CCC([N@@H+]2CCCN(Cc3ccc(C)c(C#N)c3)CC2)CC1 ZINC000599441130 479298936 /nfs/dbraw/zinc/29/89/36/479298936.db2.gz ZCTYKOBPWWVBOT-UHFFFAOYSA-N 2 1 340.515 2.859 10 30 EFEEMP C=C1CC(C)(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000631658421 480202802 /nfs/dbraw/zinc/20/28/02/480202802.db2.gz KQCHTDHISBCJAN-UHFFFAOYSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000650705874 481273262 /nfs/dbraw/zinc/27/32/62/481273262.db2.gz ZKBIHOIEBXCGAF-BJLQDIEVSA-N 2 1 330.472 2.970 10 30 EFEEMP C=CCOc1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1OC ZINC000648071603 481303806 /nfs/dbraw/zinc/30/38/06/481303806.db2.gz KGSFJJKPLMTNSP-UHFFFAOYSA-N 2 1 346.471 2.557 10 30 EFEEMP C=CCOc1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1OC ZINC000648071603 481303813 /nfs/dbraw/zinc/30/38/13/481303813.db2.gz KGSFJJKPLMTNSP-UHFFFAOYSA-N 2 1 346.471 2.557 10 30 EFEEMP C=CCCn1cc(CN2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)nn1 ZINC000653662126 481392746 /nfs/dbraw/zinc/39/27/46/481392746.db2.gz UQWOMVSVOXTSFE-MRXNPFEDSA-N 2 1 340.475 2.767 10 30 EFEEMP C=CC[C@@]1(C(=O)NC[C@H](CC)[N@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000662678942 481930921 /nfs/dbraw/zinc/93/09/21/481930921.db2.gz KRPSZUPQCAPMTM-FPOVZHCZSA-N 2 1 341.499 2.638 10 30 EFEEMP C=CC[C@@]1(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000662748848 481958165 /nfs/dbraw/zinc/95/81/65/481958165.db2.gz DQYGUUBGDQCKTC-NQIIRXRSSA-N 2 1 341.499 2.808 10 30 EFEEMP C=CC[C@]1(C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000662748847 481958908 /nfs/dbraw/zinc/95/89/08/481958908.db2.gz DQYGUUBGDQCKTC-GHTZIAJQSA-N 2 1 341.499 2.808 10 30 EFEEMP C=CCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000355207517 534883594 /nfs/dbraw/zinc/88/35/94/534883594.db2.gz ODOQIPIXUBQUQK-DFQSSKMNSA-N 2 1 330.472 2.935 10 30 EFEEMP C=CCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000355207517 534883596 /nfs/dbraw/zinc/88/35/96/534883596.db2.gz ODOQIPIXUBQUQK-DFQSSKMNSA-N 2 1 330.472 2.935 10 30 EFEEMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171649923 526539027 /nfs/dbraw/zinc/53/90/27/526539027.db2.gz DZNAOTFNFZZXRY-QZTJIDSGSA-N 2 1 344.503 2.937 10 30 EFEEMP CC[NH+]=C(NCC1CCSCC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000262767361 535261012 /nfs/dbraw/zinc/26/10/12/535261012.db2.gz HQVUQODCKJTQAI-MRXNPFEDSA-N 2 1 338.565 2.702 10 30 EFEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000262531489 535549023 /nfs/dbraw/zinc/54/90/23/535549023.db2.gz NUTUNYUSVXMYMV-TYNCELHUSA-N 2 1 338.858 2.724 10 30 EFEEMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000262849207 535596494 /nfs/dbraw/zinc/59/64/94/535596494.db2.gz WLNISWOWLQHUTD-JQFCIGGWSA-N 2 1 336.430 2.599 10 30 EFEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)CC(C)(C)C1 ZINC001750946582 1249026751 /nfs/dbraw/zinc/02/67/51/1249026751.db2.gz HKNYNXQTMHSXOF-IRXDYDNUSA-N 2 1 341.515 2.849 10 30 EFEEMP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C)c1ccc(C(C)C)cc1 ZINC001691768661 1248018059 /nfs/dbraw/zinc/01/80/59/1248018059.db2.gz XSGNSPHQMXEDDJ-WOJBJXKFSA-N 2 1 341.499 2.674 10 30 EFEEMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001691079721 1248372262 /nfs/dbraw/zinc/37/22/62/1248372262.db2.gz PBSZXAXAHKYDGF-SJORKVTESA-N 2 1 332.492 2.943 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001691079721 1248372269 /nfs/dbraw/zinc/37/22/69/1248372269.db2.gz PBSZXAXAHKYDGF-SJORKVTESA-N 2 1 332.492 2.943 10 30 EFEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001692000033 1248373187 /nfs/dbraw/zinc/37/31/87/1248373187.db2.gz XSCCOCAAGREJJY-RBUKOAKNSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[C@@H](C)[N@H+](C)CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001692017268 1248516450 /nfs/dbraw/zinc/51/64/50/1248516450.db2.gz XBHQCLWMHUZPOT-MRXNPFEDSA-N 2 1 332.492 2.717 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](C)CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001692017268 1248516459 /nfs/dbraw/zinc/51/64/59/1248516459.db2.gz XBHQCLWMHUZPOT-MRXNPFEDSA-N 2 1 332.492 2.717 10 30 EFEEMP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001691247042 1248569014 /nfs/dbraw/zinc/56/90/14/1248569014.db2.gz IICFXZLLTDDFBF-RCCFBDPRSA-N 2 1 344.503 2.595 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001484074987 1252181224 /nfs/dbraw/zinc/18/12/24/1252181224.db2.gz VKMGHFQVNMUMBI-KRWDZBQOSA-N 2 1 327.900 2.586 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001484074987 1252181233 /nfs/dbraw/zinc/18/12/33/1252181233.db2.gz VKMGHFQVNMUMBI-KRWDZBQOSA-N 2 1 327.900 2.586 10 30 EFEEMP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001484121689 1252296260 /nfs/dbraw/zinc/29/62/60/1252296260.db2.gz HCYMHHSDMFPJDS-AZUAARDMSA-N 2 1 329.488 2.694 10 30 EFEEMP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001484128297 1252307071 /nfs/dbraw/zinc/30/70/71/1252307071.db2.gz ODHMQLGCVJSXEN-QUCCMNQESA-N 2 1 329.488 2.694 10 30 EFEEMP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001484391695 1252502378 /nfs/dbraw/zinc/50/23/78/1252502378.db2.gz XDSCQSVRJYLNMR-BCDXTJNWSA-N 2 1 344.503 2.942 10 30 EFEEMP 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CCCCCCC[NH+]1C[C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001484413929 1252561735 /nfs/dbraw/zinc/56/17/35/1252561735.db2.gz WYJBNCSXJRFUBP-GBESFXJTSA-N 2 1 335.536 2.689 10 30 EFEEMP CCCCCCC[NH+]1C[C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001484413929 1252561747 /nfs/dbraw/zinc/56/17/47/1252561747.db2.gz WYJBNCSXJRFUBP-GBESFXJTSA-N 2 1 335.536 2.689 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001484561517 1252756659 /nfs/dbraw/zinc/75/66/59/1252756659.db2.gz ZWEYHXWSFQVTRR-YOEHRIQHSA-N 2 1 335.879 2.800 10 30 EFEEMP C=C[C@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CC)CC1 ZINC001484770702 1252938109 /nfs/dbraw/zinc/93/81/09/1252938109.db2.gz IZQYQCBRCPLNDZ-QRQLOZEOSA-N 2 1 333.520 2.748 10 30 EFEEMP C=C[C@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CC)CC1 ZINC001484770702 1252938117 /nfs/dbraw/zinc/93/81/17/1252938117.db2.gz IZQYQCBRCPLNDZ-QRQLOZEOSA-N 2 1 333.520 2.748 10 30 EFEEMP 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ZINC001670989012 1259345324 /nfs/dbraw/zinc/34/53/24/1259345324.db2.gz FDFBBNSPLGNAGG-LJQANCHMSA-N 2 1 335.536 2.852 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001671044113 1259930282 /nfs/dbraw/zinc/93/02/82/1259930282.db2.gz BKBZHPYPZCBWDY-GOSISDBHSA-N 2 1 341.927 2.785 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001671044113 1259930287 /nfs/dbraw/zinc/93/02/87/1259930287.db2.gz BKBZHPYPZCBWDY-GOSISDBHSA-N 2 1 341.927 2.785 10 30 EFEEMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)[N@H+](C)CC)C2)CC1 ZINC001272826947 1261072894 /nfs/dbraw/zinc/07/28/94/1261072894.db2.gz YKYPRWURDTUSNE-LJQANCHMSA-N 2 1 341.499 2.790 10 30 EFEEMP CC[NH+]=C(NCc1ncc(C)s1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000086741183 1261339702 /nfs/dbraw/zinc/33/97/02/1261339702.db2.gz QSYXFNUWDZOVNU-CQSZACIVSA-N 2 1 335.521 2.524 10 30 EFEEMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H]1C ZINC001486182389 1262756730 /nfs/dbraw/zinc/75/67/30/1262756730.db2.gz VSPIEXSTPKRXEL-WMZOPIPTSA-N 2 1 332.492 2.907 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H]1C ZINC001486182389 1262756736 /nfs/dbraw/zinc/75/67/36/1262756736.db2.gz VSPIEXSTPKRXEL-WMZOPIPTSA-N 2 1 332.492 2.907 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCCC1CCC1)C(C)(C)C ZINC001486401008 1263046332 /nfs/dbraw/zinc/04/63/32/1263046332.db2.gz KCBNFMKKTCYDGP-RBUKOAKNSA-N 2 1 347.547 2.785 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCCC1CCC1)C(C)(C)C ZINC001486401008 1263046345 /nfs/dbraw/zinc/04/63/45/1263046345.db2.gz KCBNFMKKTCYDGP-RBUKOAKNSA-N 2 1 347.547 2.785 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C(C)(C)C ZINC001486422541 1263072502 /nfs/dbraw/zinc/07/25/02/1263072502.db2.gz BFZWZJDNAPCRLJ-CABCVRRESA-N 2 1 329.916 2.734 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@H]1C(F)(F)F ZINC001486451743 1263147420 /nfs/dbraw/zinc/14/74/20/1263147420.db2.gz BIFLCAGVFAMXRM-HUUCEWRRSA-N 2 1 349.441 2.663 10 30 EFEEMP C=CCCCCC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001486509216 1263281415 /nfs/dbraw/zinc/28/14/15/1263281415.db2.gz NTMONEMXGIYVMR-LJQANCHMSA-N 2 1 333.520 2.965 10 30 EFEEMP C=CCCCCC[N@H+]1CC=C(CNC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001486509216 1263281420 /nfs/dbraw/zinc/28/14/20/1263281420.db2.gz NTMONEMXGIYVMR-LJQANCHMSA-N 2 1 333.520 2.965 10 30 EFEEMP C=CCCCCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001486509216 1263281426 /nfs/dbraw/zinc/28/14/26/1263281426.db2.gz NTMONEMXGIYVMR-LJQANCHMSA-N 2 1 333.520 2.965 10 30 EFEEMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c(F)c1 ZINC001486524297 1263327047 /nfs/dbraw/zinc/32/70/47/1263327047.db2.gz XLLJVFNNCUZAEI-GOSISDBHSA-N 2 1 333.451 2.590 10 30 EFEEMP C=CCCC[NH+]1CCC2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001671059835 1270141621 /nfs/dbraw/zinc/14/16/21/1270141621.db2.gz RLJUMJZQRZBILJ-SFHVURJKSA-N 2 1 333.520 2.609 10 30 EFEEMP C=C(C[NH+](C)C)C(=O)N(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001136362177 1277268452 /nfs/dbraw/zinc/26/84/52/1277268452.db2.gz SBJXOHIQZYQMJW-MJGOQNOKSA-N 2 1 329.488 2.788 10 30 EFEEMP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CCC[N@H+](C(C)C)C1)C(C)C ZINC001144203868 1279259984 /nfs/dbraw/zinc/25/99/84/1279259984.db2.gz FNUQYPYKISOUAU-OALUTQOASA-N 2 1 335.536 2.922 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001277695681 1312753208 /nfs/dbraw/zinc/75/32/08/1312753208.db2.gz UJROKXZXACQTMZ-MJGOQNOKSA-N 2 1 344.503 2.547 10 30 EFEEMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496625 1312772086 /nfs/dbraw/zinc/77/20/86/1312772086.db2.gz WFRHWUQMVBIRGO-OWCLPIDISA-N 2 1 335.517 2.568 10 30 EFEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000876738554 1290997229 /nfs/dbraw/zinc/99/72/29/1290997229.db2.gz GSAABRDMORVAKF-HIFRSBDPSA-N 2 1 341.908 2.546 10 30 EFEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000876739839 1290998880 /nfs/dbraw/zinc/99/88/80/1290998880.db2.gz JIGAJIDNENJODE-JYJNAYRXSA-N 2 1 327.900 2.569 10 30 EFEEMP C#CCC[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001273607066 1292289700 /nfs/dbraw/zinc/28/97/00/1292289700.db2.gz IAIVWJWKUJIWKT-UXHICEINSA-N 2 1 347.547 2.835 10 30 EFEEMP C#CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001273607066 1292289707 /nfs/dbraw/zinc/28/97/07/1292289707.db2.gz IAIVWJWKUJIWKT-UXHICEINSA-N 2 1 347.547 2.835 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001273607066 1292289715 /nfs/dbraw/zinc/28/97/15/1292289715.db2.gz IAIVWJWKUJIWKT-UXHICEINSA-N 2 1 347.547 2.835 10 30 EFEEMP C=CCCC[NH2+]CCN(CC)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001273610464 1292368690 /nfs/dbraw/zinc/36/86/90/1292368690.db2.gz NLDMFGGHILWIQP-SFHVURJKSA-N 2 1 327.488 2.603 10 30 EFEEMP C=CC[N@H+](CCc1ccco1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC001192653619 1292956774 /nfs/dbraw/zinc/95/67/74/1292956774.db2.gz PEQAYEIHGYCNPY-NRFANRHFSA-N 2 1 340.467 2.947 10 30 EFEEMP C=CCC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@@H]1CCCO1 ZINC000883216904 1293509508 /nfs/dbraw/zinc/50/95/08/1293509508.db2.gz XTUHRNJBQLKXHH-ACRUOGEOSA-N 2 1 344.499 2.857 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001671091997 1294515926 /nfs/dbraw/zinc/51/59/26/1294515926.db2.gz ZLSQBWVEEBZDNV-HXUWFJFHSA-N 2 1 344.503 2.862 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001671091997 1294515931 /nfs/dbraw/zinc/51/59/31/1294515931.db2.gz ZLSQBWVEEBZDNV-HXUWFJFHSA-N 2 1 344.503 2.862 10 30 EFEEMP C=CCC[N@H+](CC)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001274955717 1296219743 /nfs/dbraw/zinc/21/97/43/1296219743.db2.gz QDTMPVFGTFDTQM-HKUYNNGSSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001274955717 1296219751 /nfs/dbraw/zinc/21/97/51/1296219751.db2.gz QDTMPVFGTFDTQM-HKUYNNGSSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001274955717 1296219755 /nfs/dbraw/zinc/21/97/55/1296219755.db2.gz QDTMPVFGTFDTQM-HKUYNNGSSA-N 2 1 335.536 2.853 10 30 EFEEMP C#CCC[N@H+](CC)CC1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001274954856 1296220223 /nfs/dbraw/zinc/22/02/23/1296220223.db2.gz AXZOOGLKNXSJED-UHFFFAOYSA-N 2 1 335.536 2.548 10 30 EFEEMP C#CCC[NH+](CC)CC1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001274954856 1296220235 /nfs/dbraw/zinc/22/02/35/1296220235.db2.gz AXZOOGLKNXSJED-UHFFFAOYSA-N 2 1 335.536 2.548 10 30 EFEEMP C#CCC[NH+](CC)CC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001274954856 1296220245 /nfs/dbraw/zinc/22/02/45/1296220245.db2.gz AXZOOGLKNXSJED-UHFFFAOYSA-N 2 1 335.536 2.548 10 30 EFEEMP C=C(Cl)CN1CCC[C@@H]2[C@@H](NC(=O)CC[N@H+](C)CC)C(C)(C)[C@H]21 ZINC001489087360 1298008175 /nfs/dbraw/zinc/00/81/75/1298008175.db2.gz QKBZNFDUKXCMTP-OIISXLGYSA-N 2 1 341.927 2.686 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@@H]2[C@@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)[C@H]21 ZINC001489087360 1298008199 /nfs/dbraw/zinc/00/81/99/1298008199.db2.gz QKBZNFDUKXCMTP-OIISXLGYSA-N 2 1 341.927 2.686 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@@H]2[C@@H](NC(=O)CC[N@H+](C)CC)C(C)(C)[C@H]21 ZINC001489087360 1298008209 /nfs/dbraw/zinc/00/82/09/1298008209.db2.gz QKBZNFDUKXCMTP-OIISXLGYSA-N 2 1 341.927 2.686 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)CC)C(C)(C)[C@H]21 ZINC001489087360 1298008224 /nfs/dbraw/zinc/00/82/24/1298008224.db2.gz QKBZNFDUKXCMTP-OIISXLGYSA-N 2 1 341.927 2.686 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)CC)C(C)(C)[C@H]21 ZINC001489087360 1298008233 /nfs/dbraw/zinc/00/82/33/1298008233.db2.gz QKBZNFDUKXCMTP-OIISXLGYSA-N 2 1 341.927 2.686 10 30 EFEEMP C=CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001489091290 1298052462 /nfs/dbraw/zinc/05/24/62/1298052462.db2.gz VDHCKYLRKYBKTE-VAMGGRTRSA-N 2 1 343.515 2.877 10 30 EFEEMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC(C)(C)C1 ZINC001489349297 1298204830 /nfs/dbraw/zinc/20/48/30/1298204830.db2.gz 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ZINC001277282911 1311921394 /nfs/dbraw/zinc/92/13/94/1311921394.db2.gz DVLOJTCYQKNNAM-IBGZPJMESA-N 2 1 344.503 2.718 10 30 EFEEMP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001277393722 1312106015 /nfs/dbraw/zinc/10/60/15/1312106015.db2.gz PGIMAKVVFQZMIJ-HXUWFJFHSA-N 2 1 345.531 2.586 10 30 EFEEMP C#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001277393722 1312106018 /nfs/dbraw/zinc/10/60/18/1312106018.db2.gz PGIMAKVVFQZMIJ-HXUWFJFHSA-N 2 1 345.531 2.586 10 30 EFEEMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001277393722 1312106021 /nfs/dbraw/zinc/10/60/21/1312106021.db2.gz PGIMAKVVFQZMIJ-HXUWFJFHSA-N 2 1 345.531 2.586 10 30 EFEEMP C=CCCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001277441088 1312175077 /nfs/dbraw/zinc/17/50/77/1312175077.db2.gz KAHWBQYRLUOZJJ-MJGOQNOKSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCCCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001277522425 1312504430 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ZKIMZMXMDURYPH-ABSDTBQOSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@H]12 ZINC001278466106 1314684188 /nfs/dbraw/zinc/68/41/88/1314684188.db2.gz GRDKQAKDUFALIO-ICSRJNTNSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@H]12 ZINC001278466106 1314684193 /nfs/dbraw/zinc/68/41/93/1314684193.db2.gz GRDKQAKDUFALIO-ICSRJNTNSA-N 2 1 333.520 2.798 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1CC ZINC001276739041 1314943017 /nfs/dbraw/zinc/94/30/17/1314943017.db2.gz JNNGSYLAYPAPEV-DOTOQJQBSA-N 2 1 348.491 2.533 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1CC ZINC001276739042 1314943297 /nfs/dbraw/zinc/94/32/97/1314943297.db2.gz JNNGSYLAYPAPEV-NVXWUHKLSA-N 2 1 348.491 2.533 10 30 EFEEMP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1CC ZINC001276762015 1315114144 /nfs/dbraw/zinc/11/41/44/1315114144.db2.gz OTYMMSVGPWMIQT-ROUUACIJSA-N 2 1 332.492 2.765 10 30 EFEEMP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001278550684 1315175548 /nfs/dbraw/zinc/17/55/48/1315175548.db2.gz XOQYCWRQROIMHU-RBUKOAKNSA-N 2 1 339.499 2.603 10 30 EFEEMP C=C(C)C[NH+]1CCC(C)(CNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001278632533 1315330318 /nfs/dbraw/zinc/33/03/18/1315330318.db2.gz RXEXAZDTNCADLF-UHFFFAOYSA-N 2 1 332.492 2.766 10 30 EFEEMP C=C(C)CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001278742442 1315642854 /nfs/dbraw/zinc/64/28/54/1315642854.db2.gz ZCOSNAJYUHEZML-HNNXBMFYSA-N 2 1 343.462 2.510 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001278742442 1315642857 /nfs/dbraw/zinc/64/28/57/1315642857.db2.gz ZCOSNAJYUHEZML-HNNXBMFYSA-N 2 1 343.462 2.510 10 30 EFEEMP C=C(C)CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001278742442 1315642861 /nfs/dbraw/zinc/64/28/61/1315642861.db2.gz ZCOSNAJYUHEZML-HNNXBMFYSA-N 2 1 343.462 2.510 10 30 EFEEMP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(C)(C)C 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329.488 2.664 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C[C@H]1C ZINC001281682602 1318542904 /nfs/dbraw/zinc/54/29/04/1318542904.db2.gz KUWQQVNNXYSQNZ-IEBWSBKVSA-N 2 1 329.488 2.664 10 30 EFEEMP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001281682602 1318542910 /nfs/dbraw/zinc/54/29/10/1318542910.db2.gz KUWQQVNNXYSQNZ-IEBWSBKVSA-N 2 1 329.488 2.664 10 30 EFEEMP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001281682602 1318542916 /nfs/dbraw/zinc/54/29/16/1318542916.db2.gz KUWQQVNNXYSQNZ-IEBWSBKVSA-N 2 1 329.488 2.664 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001281684630 1318545213 /nfs/dbraw/zinc/54/52/13/1318545213.db2.gz URLGLIDFVURRAD-DLBZAZTESA-N 2 1 341.927 2.974 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001281684630 1318545220 /nfs/dbraw/zinc/54/52/20/1318545220.db2.gz URLGLIDFVURRAD-DLBZAZTESA-N 2 1 341.927 2.974 10 30 EFEEMP C=CCC[NH+]1CCC2(CCN(C(=O)CC[N@H+](C)CCC)CC2)CC1 ZINC001281795814 1318587318 /nfs/dbraw/zinc/58/73/18/1318587318.db2.gz DYAAETDODPSWHT-UHFFFAOYSA-N 2 1 335.536 2.999 10 30 EFEEMP C=CCCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001281939573 1318630645 /nfs/dbraw/zinc/63/06/45/1318630645.db2.gz IZLDWRYKOKLPOR-PMACEKPBSA-N 2 1 347.547 2.997 10 30 EFEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001281942296 1318634493 /nfs/dbraw/zinc/63/44/93/1318634493.db2.gz PKQSRAJPJZMGCC-SFHVURJKSA-N 2 1 333.520 2.586 10 30 EFEEMP CC#CC[NH+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001281942296 1318634497 /nfs/dbraw/zinc/63/44/97/1318634497.db2.gz PKQSRAJPJZMGCC-SFHVURJKSA-N 2 1 333.520 2.586 10 30 EFEEMP CC#CC[NH+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001281942296 1318634503 /nfs/dbraw/zinc/63/45/03/1318634503.db2.gz PKQSRAJPJZMGCC-SFHVURJKSA-N 2 1 333.520 2.586 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]CCCC(C)(C)C ZINC001282307548 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YSUQYMDPPUEOSC-KRWDZBQOSA-N 2 1 333.520 2.655 10 30 EFEEMP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001282896417 1319194737 /nfs/dbraw/zinc/19/47/37/1319194737.db2.gz UWUXSLHBXDAETI-HAGHYFMRSA-N 2 1 341.499 2.550 10 30 EFEEMP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001282896417 1319194744 /nfs/dbraw/zinc/19/47/44/1319194744.db2.gz UWUXSLHBXDAETI-HAGHYFMRSA-N 2 1 341.499 2.550 10 30 EFEEMP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+]3CCCCC3)C[C@H]2C1 ZINC001282959929 1319218447 /nfs/dbraw/zinc/21/84/47/1319218447.db2.gz XDXFOLZMVDTLJB-GBESFXJTSA-N 2 1 333.520 2.655 10 30 EFEEMP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+]3CCCCC3)C[C@H]2C1 ZINC001282959926 1319219201 /nfs/dbraw/zinc/21/92/01/1319219201.db2.gz XDXFOLZMVDTLJB-FHWLQOOXSA-N 2 1 333.520 2.655 10 30 EFEEMP C=CCCC[N@@H+]1CCCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001282971681 1319228625 /nfs/dbraw/zinc/22/86/25/1319228625.db2.gz AJFDNELPVBXMOK-SFHVURJKSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)CCCn3cc[nH+]c3C)C[C@@]2(C)C1 ZINC001282991740 1319242560 /nfs/dbraw/zinc/24/25/60/1319242560.db2.gz AEJHCFJATQVVCP-BGYRXZFFSA-N 2 1 344.503 2.718 10 30 EFEEMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CCCn3cc[nH+]c3C)C[C@@]2(C)C1 ZINC001282991740 1319242571 /nfs/dbraw/zinc/24/25/71/1319242571.db2.gz AEJHCFJATQVVCP-BGYRXZFFSA-N 2 1 344.503 2.718 10 30 EFEEMP C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@]2(C)C1 ZINC001282992440 1319244654 /nfs/dbraw/zinc/24/46/54/1319244654.db2.gz JPVLGTHEXBQJLI-RLLQIKCJSA-N 2 1 335.536 2.709 10 30 EFEEMP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001283051954 1319290686 /nfs/dbraw/zinc/29/06/86/1319290686.db2.gz XGOWMVRXGPUJKD-LNLFQRSKSA-N 2 1 333.520 2.844 10 30 EFEEMP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001283172547 1319394797 /nfs/dbraw/zinc/39/47/97/1319394797.db2.gz DLRMOIRAWHOFIA-ROUUACIJSA-N 2 1 333.520 2.539 10 30 EFEEMP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001283530081 1319793478 /nfs/dbraw/zinc/79/34/78/1319793478.db2.gz KFYHBGVZZQRYCE-PMACEKPBSA-N 2 1 345.531 2.633 10 30 EFEEMP C=CCC[C@@H](C)[NH2+][C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CC1(C)C ZINC001284294079 1320307801 /nfs/dbraw/zinc/30/78/01/1320307801.db2.gz WGYOYYZSVFBJFQ-PBHICJAKSA-N 2 1 348.491 2.531 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C(F)(F)F ZINC001284371429 1320343599 /nfs/dbraw/zinc/34/35/99/1320343599.db2.gz ISNUISVCYXKDOO-GJZGRUSLSA-N 2 1 349.441 2.521 10 30 EFEEMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C(C)(C)C ZINC001284620065 1320443128 /nfs/dbraw/zinc/44/31/28/1320443128.db2.gz WZRNDGFGPGNLMJ-ROUUACIJSA-N 2 1 333.520 2.537 10 30 EFEEMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001316635358 1320566951 /nfs/dbraw/zinc/56/69/51/1320566951.db2.gz BEESKMOKQJOCJQ-NRSFXHEJSA-N 2 1 344.503 2.593 10 30 EFEEMP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001319633686 1328934038 /nfs/dbraw/zinc/93/40/38/1328934038.db2.gz KAROUTQYYJENEE-UYAOXDASSA-N 2 1 347.547 2.927 10 30 EFEEMP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001319651768 1328938984 /nfs/dbraw/zinc/93/89/84/1328938984.db2.gz QRGYGMOOAOUMRR-OALUTQOASA-N 2 1 333.520 2.537 10 30 EFEEMP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001319651770 1328939259 /nfs/dbraw/zinc/93/92/59/1328939259.db2.gz QRGYGMOOAOUMRR-RTBURBONSA-N 2 1 333.520 2.537 10 30 EFEEMP CC#CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001319884664 1329028114 /nfs/dbraw/zinc/02/81/14/1329028114.db2.gz DXIQBKHWZCHUST-HXUWFJFHSA-N 2 1 347.547 2.692 10 30 EFEEMP C=CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001319881975 1329027336 /nfs/dbraw/zinc/02/73/36/1329027336.db2.gz YAQVQCWNJREOOK-RBUKOAKNSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CC[NH+](C)CCC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001319881975 1329027337 /nfs/dbraw/zinc/02/73/37/1329027337.db2.gz YAQVQCWNJREOOK-RBUKOAKNSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CC[NH+](C)CCC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001319881975 1329027342 /nfs/dbraw/zinc/02/73/42/1329027342.db2.gz YAQVQCWNJREOOK-RBUKOAKNSA-N 2 1 333.520 2.750 10 30 EFEEMP CC#CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001319884664 1329028105 /nfs/dbraw/zinc/02/81/05/1329028105.db2.gz DXIQBKHWZCHUST-HXUWFJFHSA-N 2 1 347.547 2.692 10 30 EFEEMP CC#CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001319884664 1329028110 /nfs/dbraw/zinc/02/81/10/1329028110.db2.gz DXIQBKHWZCHUST-HXUWFJFHSA-N 2 1 347.547 2.692 10 30 EFEEMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001316660696 1323021696 /nfs/dbraw/zinc/02/16/96/1323021696.db2.gz VBIAIQKSYXRKCG-FCEWJHQRSA-N 2 1 339.499 2.650 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]21 ZINC001320102886 1329078825 /nfs/dbraw/zinc/07/88/25/1329078825.db2.gz ILKCJLNHHPHHCX-OALUTQOASA-N 2 1 344.503 2.861 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]21 ZINC001320102886 1329078831 /nfs/dbraw/zinc/07/88/31/1329078831.db2.gz ILKCJLNHHPHHCX-OALUTQOASA-N 2 1 344.503 2.861 10 30 EFEEMP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCCn3cc[nH+]c3C)C2)CC1 ZINC001316668988 1323940888 /nfs/dbraw/zinc/94/08/88/1323940888.db2.gz IAXSMRCONIXTNW-QGZVFWFLSA-N 2 1 344.503 2.861 10 30 EFEEMP C=CCCC[NH2+][C@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001491888642 1323996439 /nfs/dbraw/zinc/99/64/39/1323996439.db2.gz IVPUGWLCFWVIQT-IRXDYDNUSA-N 2 1 332.492 2.990 10 30 EFEEMP C=CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)cc1 ZINC001491900577 1324011655 /nfs/dbraw/zinc/01/16/55/1324011655.db2.gz RLDTZAOAJWXVIJ-PMACEKPBSA-N 2 1 341.499 2.638 10 30 EFEEMP C=CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)cc1 ZINC001491900580 1324012093 /nfs/dbraw/zinc/01/20/93/1324012093.db2.gz RLDTZAOAJWXVIJ-WOJBJXKFSA-N 2 1 341.499 2.638 10 30 EFEEMP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001491965868 1324089091 /nfs/dbraw/zinc/08/90/91/1324089091.db2.gz VFIAGWGZWZKZGG-RBUKOAKNSA-N 2 1 329.488 2.788 10 30 EFEEMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001491965868 1324089092 /nfs/dbraw/zinc/08/90/92/1324089092.db2.gz VFIAGWGZWZKZGG-RBUKOAKNSA-N 2 1 329.488 2.788 10 30 EFEEMP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001492085202 1324245452 /nfs/dbraw/zinc/24/54/52/1324245452.db2.gz MNBMXEBJTORPBZ-MAUKXSAKSA-N 2 1 327.488 2.650 10 30 EFEEMP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001492171883 1324309364 /nfs/dbraw/zinc/30/93/64/1324309364.db2.gz SFRQBEREJUDEER-RBUKOAKNSA-N 2 1 333.520 2.635 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001492178543 1324318989 /nfs/dbraw/zinc/31/89/89/1324318989.db2.gz PELWTOCQVCFGFT-UXHICEINSA-N 2 1 347.547 2.881 10 30 EFEEMP C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001317376222 1324668937 /nfs/dbraw/zinc/66/89/37/1324668937.db2.gz OITHLDHOPFPUHZ-SJORKVTESA-N 2 1 327.488 2.555 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[N@H+](C)C1CCC1 ZINC001316718285 1325044513 /nfs/dbraw/zinc/04/45/13/1325044513.db2.gz BRFARPHPNVQZRZ-NZSAHSFTSA-N 2 1 333.520 2.652 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001316718285 1325044520 /nfs/dbraw/zinc/04/45/20/1325044520.db2.gz BRFARPHPNVQZRZ-NZSAHSFTSA-N 2 1 333.520 2.652 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001316718285 1325044522 /nfs/dbraw/zinc/04/45/22/1325044522.db2.gz BRFARPHPNVQZRZ-NZSAHSFTSA-N 2 1 333.520 2.652 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@@H]2[C@H](NC(=O)C[N@H+](C)C3CCC3)C(C)(C)[C@H]21 ZINC001316718284 1325044695 /nfs/dbraw/zinc/04/46/95/1325044695.db2.gz BRFARPHPNVQZRZ-NEWSRXKRSA-N 2 1 333.520 2.652 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+](C)C3CCC3)C(C)(C)[C@H]21 ZINC001316718284 1325044700 /nfs/dbraw/zinc/04/47/00/1325044700.db2.gz BRFARPHPNVQZRZ-NEWSRXKRSA-N 2 1 333.520 2.652 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+](C)C3CCC3)C(C)(C)[C@H]21 ZINC001316718284 1325044706 /nfs/dbraw/zinc/04/47/06/1325044706.db2.gz BRFARPHPNVQZRZ-NEWSRXKRSA-N 2 1 333.520 2.652 10 30 EFEEMP C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001316721382 1325053273 /nfs/dbraw/zinc/05/32/73/1325053273.db2.gz HSJFQFVALDRUKO-AQNXPRMDSA-N 2 1 343.515 2.733 10 30 EFEEMP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001316721382 1325053278 /nfs/dbraw/zinc/05/32/78/1325053278.db2.gz HSJFQFVALDRUKO-AQNXPRMDSA-N 2 1 343.515 2.733 10 30 EFEEMP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001316775210 1325129048 /nfs/dbraw/zinc/12/90/48/1325129048.db2.gz YMXNOPUETYCANL-RTBURBONSA-N 2 1 333.520 2.633 10 30 EFEEMP C=CCCCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001316806230 1325156679 /nfs/dbraw/zinc/15/66/79/1325156679.db2.gz MKINQIVZLCHDES-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCCCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001316806230 1325156686 /nfs/dbraw/zinc/15/66/86/1325156686.db2.gz MKINQIVZLCHDES-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCCCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001316806230 1325156696 /nfs/dbraw/zinc/15/66/96/1325156696.db2.gz MKINQIVZLCHDES-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[N@@H+](CC)CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001316901893 1325303400 /nfs/dbraw/zinc/30/34/00/1325303400.db2.gz CAJIOEOIGZCQHU-SFHVURJKSA-N 2 1 327.488 2.603 10 30 EFEEMP C=CCC[NH+](CC)CCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001316901893 1325303408 /nfs/dbraw/zinc/30/34/08/1325303408.db2.gz CAJIOEOIGZCQHU-SFHVURJKSA-N 2 1 327.488 2.603 10 30 EFEEMP C=CCC[NH+](CC)CCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001316901893 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C=CC[N@H+](C)CC1CCN(C(=O)C[NH+](C)CCc2ccccc2)CC1 ZINC001317879539 1328434009 /nfs/dbraw/zinc/43/40/09/1328434009.db2.gz GQGFSHGMZKXREM-UHFFFAOYSA-N 2 1 343.515 2.517 10 30 EFEEMP C=CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001317884729 1328437666 /nfs/dbraw/zinc/43/76/66/1328437666.db2.gz XRNDLCAOMRPRLP-IBGZPJMESA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001317884729 1328437673 /nfs/dbraw/zinc/43/76/73/1328437673.db2.gz XRNDLCAOMRPRLP-IBGZPJMESA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001317884729 1328437681 /nfs/dbraw/zinc/43/76/81/1328437681.db2.gz XRNDLCAOMRPRLP-IBGZPJMESA-N 2 1 335.536 2.997 10 30 EFEEMP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+](C)CCCCCC)CC2)C1 ZINC001323636042 1329556461 /nfs/dbraw/zinc/55/64/61/1329556461.db2.gz BFXFPLYDPAPQAF-HXUWFJFHSA-N 2 1 347.547 2.692 10 30 EFEEMP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)CCCCCC)CC2)C1 ZINC001323636042 1329556463 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335.536 2.999 10 30 EFEEMP C#CCN(C(=O)C[N@@H+](C)C1CCC1)C1CC[NH+](CC/C=C\CC)CC1 ZINC001324396960 1329623606 /nfs/dbraw/zinc/62/36/06/1329623606.db2.gz KXRBJCIVFLAARS-SREVYHEPSA-N 2 1 345.531 2.753 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001324558175 1329639618 /nfs/dbraw/zinc/63/96/18/1329639618.db2.gz YRGHVEIGYYOQAO-FQEVSTJZSA-N 2 1 335.536 2.999 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CC[C@](C)(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001324655283 1329648791 /nfs/dbraw/zinc/64/87/91/1329648791.db2.gz AHLKBDOAKARLLT-LPHOPBHVSA-N 2 1 332.492 2.907 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@](C)(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001324655283 1329648793 /nfs/dbraw/zinc/64/87/93/1329648793.db2.gz AHLKBDOAKARLLT-LPHOPBHVSA-N 2 1 332.492 2.907 10 30 EFEEMP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001324776415 1329657751 /nfs/dbraw/zinc/65/77/51/1329657751.db2.gz PHSUIJBOMAJPKY-XLIONFOSSA-N 2 1 344.503 2.548 10 30 EFEEMP C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001324956546 1329662671 /nfs/dbraw/zinc/66/26/71/1329662671.db2.gz CMTJXYKILPGLJY-PXNSSMCTSA-N 2 1 344.503 2.548 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001324956546 1329662672 /nfs/dbraw/zinc/66/26/72/1329662672.db2.gz CMTJXYKILPGLJY-PXNSSMCTSA-N 2 1 344.503 2.548 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001324958163 1329662914 /nfs/dbraw/zinc/66/29/14/1329662914.db2.gz PNWBDSSZCUGNRG-UYAOXDASSA-N 2 1 335.536 2.903 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001324958163 1329662916 /nfs/dbraw/zinc/66/29/16/1329662916.db2.gz PNWBDSSZCUGNRG-UYAOXDASSA-N 2 1 335.536 2.903 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001324958163 1329662918 /nfs/dbraw/zinc/66/29/18/1329662918.db2.gz PNWBDSSZCUGNRG-UYAOXDASSA-N 2 1 335.536 2.903 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001324958160 1329663065 /nfs/dbraw/zinc/66/30/65/1329663065.db2.gz PNWBDSSZCUGNRG-AZUAARDMSA-N 2 1 335.536 2.903 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001324958160 1329663066 /nfs/dbraw/zinc/66/30/66/1329663066.db2.gz PNWBDSSZCUGNRG-AZUAARDMSA-N 2 1 335.536 2.903 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001324958160 1329663067 /nfs/dbraw/zinc/66/30/67/1329663067.db2.gz PNWBDSSZCUGNRG-AZUAARDMSA-N 2 1 335.536 2.903 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@](C)(CNC(=O)CCc2cncn2C)C1 ZINC001324974493 1329664417 /nfs/dbraw/zinc/66/44/17/1329664417.db2.gz AECZZACHUQIBPS-YLJYHZDGSA-N 2 1 346.519 2.926 10 30 EFEEMP C#CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)c1ccccc1CC ZINC001325367796 1329683476 /nfs/dbraw/zinc/68/34/76/1329683476.db2.gz ZKUVNEBXLCTVDD-WOJBJXKFSA-N 2 1 341.499 2.504 10 30 EFEEMP C#CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)c1ccccc1CC ZINC001325367796 1329683478 /nfs/dbraw/zinc/68/34/78/1329683478.db2.gz ZKUVNEBXLCTVDD-WOJBJXKFSA-N 2 1 341.499 2.504 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)c3cccc4nccn43)C[C@H]2C1 ZINC001325752984 1329710517 /nfs/dbraw/zinc/71/05/17/1329710517.db2.gz GOOAJVQBVFBNKB-YESZJQIVSA-N 2 1 338.455 2.693 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](F)C[NH+](CC)CC ZINC001325900934 1329723010 /nfs/dbraw/zinc/72/30/10/1329723010.db2.gz UJCFDUYCNFAMRO-FGTMMUONSA-N 2 1 339.499 2.698 10 30 EFEEMP C=CCCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001325902152 1329723124 /nfs/dbraw/zinc/72/31/24/1329723124.db2.gz ZZTIHMCGSZTUIM-MANSERQUSA-N 2 1 333.520 2.748 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001325902152 1329723126 /nfs/dbraw/zinc/72/31/26/1329723126.db2.gz ZZTIHMCGSZTUIM-MANSERQUSA-N 2 1 333.520 2.748 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001325902152 1329723128 /nfs/dbraw/zinc/72/31/28/1329723128.db2.gz ZZTIHMCGSZTUIM-MANSERQUSA-N 2 1 333.520 2.748 10 30 EFEEMP C=CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001325916319 1329723771 /nfs/dbraw/zinc/72/37/71/1329723771.db2.gz HWLDEEQSHDHIPV-PMACEKPBSA-N 2 1 341.499 2.760 10 30 EFEEMP C=CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)Cc1ccccc1 ZINC001325916319 1329723773 /nfs/dbraw/zinc/72/37/73/1329723773.db2.gz HWLDEEQSHDHIPV-PMACEKPBSA-N 2 1 341.499 2.760 10 30 EFEEMP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)Cc1ccccc1 ZINC001325916319 1329723775 /nfs/dbraw/zinc/72/37/75/1329723775.db2.gz HWLDEEQSHDHIPV-PMACEKPBSA-N 2 1 341.499 2.760 10 30 EFEEMP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)Cc1ccccc1 ZINC001325916319 1329723777 /nfs/dbraw/zinc/72/37/77/1329723777.db2.gz HWLDEEQSHDHIPV-PMACEKPBSA-N 2 1 341.499 2.760 10 30 EFEEMP C=CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001325916320 1329723975 /nfs/dbraw/zinc/72/39/75/1329723975.db2.gz HWLDEEQSHDHIPV-UXHICEINSA-N 2 1 341.499 2.760 10 30 EFEEMP C=CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@H+](C)Cc1ccccc1 ZINC001325916320 1329723977 /nfs/dbraw/zinc/72/39/77/1329723977.db2.gz HWLDEEQSHDHIPV-UXHICEINSA-N 2 1 341.499 2.760 10 30 EFEEMP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)Cc1ccccc1 ZINC001325916320 1329723979 /nfs/dbraw/zinc/72/39/79/1329723979.db2.gz HWLDEEQSHDHIPV-UXHICEINSA-N 2 1 341.499 2.760 10 30 EFEEMP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)Cc1ccccc1 ZINC001325916320 1329723981 /nfs/dbraw/zinc/72/39/81/1329723981.db2.gz HWLDEEQSHDHIPV-UXHICEINSA-N 2 1 341.499 2.760 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+](C)CC(C)(C)C ZINC001325918984 1329724295 /nfs/dbraw/zinc/72/42/95/1329724295.db2.gz FZWSTGYXWTVNHB-QZTJIDSGSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001325918984 1329724297 /nfs/dbraw/zinc/72/42/97/1329724297.db2.gz FZWSTGYXWTVNHB-QZTJIDSGSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001325918984 1329724299 /nfs/dbraw/zinc/72/42/99/1329724299.db2.gz FZWSTGYXWTVNHB-QZTJIDSGSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001325941915 1329726367 /nfs/dbraw/zinc/72/63/67/1329726367.db2.gz BETFOLNKVPDRBJ-OKZBNKHCSA-N 2 1 339.499 2.555 10 30 EFEEMP CCCCCCC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001325954428 1329727792 /nfs/dbraw/zinc/72/77/92/1329727792.db2.gz BTWZZFPKWRMHBC-RBUKOAKNSA-N 2 1 335.536 2.975 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)CC(C)(C)C)CCC[C@H]12 ZINC001382313869 1348861964 /nfs/dbraw/zinc/86/19/64/1348861964.db2.gz BCTCPYPPWXYARD-MAUKXSAKSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)C[N@H+](C)CC(C)(C)C)CCC[C@H]12 ZINC001382313869 1348861972 /nfs/dbraw/zinc/86/19/72/1348861972.db2.gz BCTCPYPPWXYARD-MAUKXSAKSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)CC(C)(C)C)CCC[C@H]12 ZINC001382313869 1348861977 /nfs/dbraw/zinc/86/19/77/1348861977.db2.gz BCTCPYPPWXYARD-MAUKXSAKSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)C[NH+](C)CC(C)(C)C)CCC[C@H]12 ZINC001382313869 1348861984 /nfs/dbraw/zinc/86/19/84/1348861984.db2.gz BCTCPYPPWXYARD-MAUKXSAKSA-N 2 1 341.927 2.830 10 30 EFEEMP C=CCCCCC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001327162795 1330433507 /nfs/dbraw/zinc/43/35/07/1330433507.db2.gz KZSAAOVHVWCNSJ-SFHVURJKSA-N 2 1 332.492 2.909 10 30 EFEEMP C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001327162795 1330433513 /nfs/dbraw/zinc/43/35/13/1330433513.db2.gz KZSAAOVHVWCNSJ-SFHVURJKSA-N 2 1 332.492 2.909 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001327300054 1330454673 /nfs/dbraw/zinc/45/46/73/1330454673.db2.gz SMSBEWPIYXMDCF-RBUKOAKNSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001327530848 1330495968 /nfs/dbraw/zinc/49/59/68/1330495968.db2.gz QADTXQDJASJXEN-RXVVDRJESA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001327539660 1330496577 /nfs/dbraw/zinc/49/65/77/1330496577.db2.gz BXKJVDZCHXZRCU-AZUAARDMSA-N 2 1 345.531 2.751 10 30 EFEEMP C#CCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H](CC)[NH+](CC)CC)cc2C1 ZINC001327695914 1330509412 /nfs/dbraw/zinc/50/94/12/1330509412.db2.gz LAPWGUVATTZVCM-HXUWFJFHSA-N 2 1 341.499 2.762 10 30 EFEEMP C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3CCC(C)CC3)cc2C1 ZINC001327694849 1330509502 /nfs/dbraw/zinc/50/95/02/1330509502.db2.gz DRFNOJKDRYBIRL-UHFFFAOYSA-N 2 1 341.499 2.926 10 30 EFEEMP C#CCC[N@@H+]1Cc2ccc(CNC(=O)[C@H](CC)[NH+](CC)CC)cc2C1 ZINC001327695913 1330509622 /nfs/dbraw/zinc/50/96/22/1330509622.db2.gz LAPWGUVATTZVCM-FQEVSTJZSA-N 2 1 341.499 2.762 10 30 EFEEMP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001327994819 1330539390 /nfs/dbraw/zinc/53/93/90/1330539390.db2.gz CKGLWGIFAICDRQ-GOSISDBHSA-N 2 1 333.520 2.940 10 30 EFEEMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCCCCC)C(C)(C)C1 ZINC001328099813 1330555817 /nfs/dbraw/zinc/55/58/17/1330555817.db2.gz ZEGSZCSFSHVWSU-GOSISDBHSA-N 2 1 335.536 2.739 10 30 EFEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCCCCC)C(C)(C)C1 ZINC001328099813 1330555819 /nfs/dbraw/zinc/55/58/19/1330555819.db2.gz ZEGSZCSFSHVWSU-GOSISDBHSA-N 2 1 335.536 2.739 10 30 EFEEMP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCCCCC)C(C)(C)C1 ZINC001328099813 1330555824 /nfs/dbraw/zinc/55/58/24/1330555824.db2.gz ZEGSZCSFSHVWSU-GOSISDBHSA-N 2 1 335.536 2.739 10 30 EFEEMP C=CC[N@H+](CC)CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001328589121 1330606154 /nfs/dbraw/zinc/60/61/54/1330606154.db2.gz TWRPWTXFSBQQPY-LJQANCHMSA-N 2 1 335.536 2.853 10 30 EFEEMP CC#CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001328588740 1330606243 /nfs/dbraw/zinc/60/62/43/1330606243.db2.gz YXLILYNTCRMWNR-HXUWFJFHSA-N 2 1 347.547 2.692 10 30 EFEEMP CC#CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001328588740 1330606246 /nfs/dbraw/zinc/60/62/46/1330606246.db2.gz YXLILYNTCRMWNR-HXUWFJFHSA-N 2 1 347.547 2.692 10 30 EFEEMP CC#CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001328588740 1330606249 /nfs/dbraw/zinc/60/62/49/1330606249.db2.gz YXLILYNTCRMWNR-HXUWFJFHSA-N 2 1 347.547 2.692 10 30 EFEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001329203471 1330680722 /nfs/dbraw/zinc/68/07/22/1330680722.db2.gz SXPKKQXDVCADOV-HOTGVXAUSA-N 2 1 349.906 2.515 10 30 EFEEMP C=CCC[C@@H](C)[NH2+]CC1(NC(=O)Cn2c[nH+]cc2C)CCCCC1 ZINC001329837187 1330741732 /nfs/dbraw/zinc/74/17/32/1330741732.db2.gz DTVPCONUQJCJRI-MRXNPFEDSA-N 2 1 332.492 2.955 10 30 EFEEMP C=CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001329923459 1330752169 /nfs/dbraw/zinc/75/21/69/1330752169.db2.gz LKNHKVWIEZPSDT-MOPGFXCFSA-N 2 1 333.520 2.655 10 30 EFEEMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001329935518 1330752593 /nfs/dbraw/zinc/75/25/93/1330752593.db2.gz DJMNGAYEZNNPTA-PMACEKPBSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001329935518 1330752595 /nfs/dbraw/zinc/75/25/95/1330752595.db2.gz DJMNGAYEZNNPTA-PMACEKPBSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001329935518 1330752596 /nfs/dbraw/zinc/75/25/96/1330752596.db2.gz DJMNGAYEZNNPTA-PMACEKPBSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001329935518 1330752598 /nfs/dbraw/zinc/75/25/98/1330752598.db2.gz DJMNGAYEZNNPTA-PMACEKPBSA-N 2 1 341.499 2.673 10 30 EFEEMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001330000696 1330760703 /nfs/dbraw/zinc/76/07/03/1330760703.db2.gz QWSCZWSUYRMUIV-HZPDHXFCSA-N 2 1 332.492 2.799 10 30 EFEEMP C#CCC[N@H+](C)C1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001331031041 1330785682 /nfs/dbraw/zinc/78/56/82/1330785682.db2.gz RLLGXCRTHRUAGN-UHFFFAOYSA-N 2 1 333.520 2.586 10 30 EFEEMP C#CCC[NH+](C)C1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001331031041 1330785684 /nfs/dbraw/zinc/78/56/84/1330785684.db2.gz RLLGXCRTHRUAGN-UHFFFAOYSA-N 2 1 333.520 2.586 10 30 EFEEMP C#CCC[NH+](C)C1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001331031041 1330785685 /nfs/dbraw/zinc/78/56/85/1330785685.db2.gz RLLGXCRTHRUAGN-UHFFFAOYSA-N 2 1 333.520 2.586 10 30 EFEEMP C=CCCC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001331039339 1330787457 /nfs/dbraw/zinc/78/74/57/1330787457.db2.gz PWCZEPSKLPMVPX-GOSISDBHSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001331039339 1330787458 /nfs/dbraw/zinc/78/74/58/1330787458.db2.gz PWCZEPSKLPMVPX-GOSISDBHSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001331039339 1330787459 /nfs/dbraw/zinc/78/74/59/1330787459.db2.gz PWCZEPSKLPMVPX-GOSISDBHSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001331363325 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/nfs/dbraw/zinc/02/78/37/1331027837.db2.gz CWGRCQNQFVYQIY-ZWKOTPCHSA-N 2 1 347.547 2.641 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CC(C)(C)C1)C(C)(C)C ZINC001332804711 1331027843 /nfs/dbraw/zinc/02/78/43/1331027843.db2.gz CWGRCQNQFVYQIY-ZWKOTPCHSA-N 2 1 347.547 2.641 10 30 EFEEMP C=C(C)CC[NH2+]C1CC(N(C)C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001333150978 1331085293 /nfs/dbraw/zinc/08/52/93/1331085293.db2.gz LFTSCPWXPHODJO-UHFFFAOYSA-N 2 1 329.488 2.664 10 30 EFEEMP C=C(C)CC[NH2+]C1CC(N(C)C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001333150978 1331085298 /nfs/dbraw/zinc/08/52/98/1331085298.db2.gz LFTSCPWXPHODJO-UHFFFAOYSA-N 2 1 329.488 2.664 10 30 EFEEMP C#Cc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)cc1 ZINC001333589043 1331175600 /nfs/dbraw/zinc/17/56/00/1331175600.db2.gz WGFQKPWPYOOIQX-UHFFFAOYSA-N 2 1 337.442 2.849 10 30 EFEEMP C=CCn1c(C)nn(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c1=S ZINC001334725777 1331296929 /nfs/dbraw/zinc/29/69/29/1331296929.db2.gz RXSZINMGYUJHEE-ARFHVFGLSA-N 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C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001366877668 1338152344 /nfs/dbraw/zinc/15/23/44/1338152344.db2.gz YYMZCTVCLQPKGR-DLBZAZTESA-N 2 1 341.927 2.640 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001372990637 1340866021 /nfs/dbraw/zinc/86/60/21/1340866021.db2.gz GJXAYDGIHOOKDY-RDJZCZTQSA-N 2 1 341.927 2.828 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001374928319 1342246069 /nfs/dbraw/zinc/24/60/69/1342246069.db2.gz NGHTZWLLRBNDGH-HOCLYGCPSA-N 2 1 327.900 2.630 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001375227146 1342530314 /nfs/dbraw/zinc/53/03/14/1342530314.db2.gz ARZLOXOCXRHLRK-DLBZAZTESA-N 2 1 339.911 2.630 10 30 EFEEMP C=C(Cl)CN[C@@H](CNC(=O)[C@@H]1CCCCN1C)c1ccccc1 ZINC001377621043 1344230123 /nfs/dbraw/zinc/23/01/23/1344230123.db2.gz KPOBQRFQBMCQOG-IRXDYDNUSA-N 2 1 335.879 2.670 10 30 EFEEMP C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)[NH2+]Cc1ccccc1C#N 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ZQGYBIYHPHAQRW-IRXDYDNUSA-N 2 1 341.927 2.688 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001391122207 1354827018 /nfs/dbraw/zinc/82/70/18/1354827018.db2.gz ZQGYBIYHPHAQRW-IRXDYDNUSA-N 2 1 341.927 2.688 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC001392159011 1355813537 /nfs/dbraw/zinc/81/35/37/1355813537.db2.gz DFMLSXXHYJUVSF-SJORKVTESA-N 2 1 341.927 2.878 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+](C)C(C)C)C2 ZINC001402105308 1363413027 /nfs/dbraw/zinc/41/30/27/1363413027.db2.gz IXTNPJDRBDHYSL-GOSISDBHSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001402105308 1363413033 /nfs/dbraw/zinc/41/30/33/1363413033.db2.gz IXTNPJDRBDHYSL-GOSISDBHSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001402105308 1363413036 /nfs/dbraw/zinc/41/30/36/1363413036.db2.gz IXTNPJDRBDHYSL-GOSISDBHSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001394848297 1358154703 /nfs/dbraw/zinc/15/47/03/1358154703.db2.gz WPSRVCGALAILIK-MRXNPFEDSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001437048702 1387388081 /nfs/dbraw/zinc/38/80/81/1387388081.db2.gz JEBNCHLDNLJIPD-IRXDYDNUSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001397260310 1359792884 /nfs/dbraw/zinc/79/28/84/1359792884.db2.gz AIOBHYWBXXEWSQ-IRXDYDNUSA-N 2 1 341.927 2.925 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001397260310 1359792887 /nfs/dbraw/zinc/79/28/87/1359792887.db2.gz AIOBHYWBXXEWSQ-IRXDYDNUSA-N 2 1 341.927 2.925 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001397260310 1359792890 /nfs/dbraw/zinc/79/28/90/1359792890.db2.gz AIOBHYWBXXEWSQ-IRXDYDNUSA-N 2 1 341.927 2.925 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001397260310 1359792895 /nfs/dbraw/zinc/79/28/95/1359792895.db2.gz AIOBHYWBXXEWSQ-IRXDYDNUSA-N 2 1 341.927 2.925 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001441306636 1391244528 /nfs/dbraw/zinc/24/45/28/1391244528.db2.gz QAWUIMWEJUEUDZ-HOTGVXAUSA-N 2 1 347.906 2.589 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001398703796 1360730893 /nfs/dbraw/zinc/73/08/93/1360730893.db2.gz WDZZKWFYFRMCNA-JKSUJKDBSA-N 2 1 329.916 2.688 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001398703796 1360730900 /nfs/dbraw/zinc/73/09/00/1360730900.db2.gz WDZZKWFYFRMCNA-JKSUJKDBSA-N 2 1 329.916 2.688 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001400243332 1361878256 /nfs/dbraw/zinc/87/82/56/1361878256.db2.gz UUHGTOYVVLPLQE-IAGOWNOFSA-N 2 1 341.927 2.640 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001400243332 1361878258 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ZINC001505537555 1404747811 /nfs/dbraw/zinc/74/78/11/1404747811.db2.gz CSBYYSKJIAQTHT-PREGVCBESA-N 2 1 335.879 2.526 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001505637015 1404879270 /nfs/dbraw/zinc/87/92/70/1404879270.db2.gz GMGCHSSHTXZCNZ-UONOGXRCSA-N 2 1 329.916 2.875 10 30 EFEEMP CC#CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1)C(C)C ZINC001506491028 1405843767 /nfs/dbraw/zinc/84/37/67/1405843767.db2.gz RRLZBOMMKZMDRB-RTBURBONSA-N 2 1 335.536 2.594 10 30 EFEEMP C=C(Cl)C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CC[N@H+](C)CC ZINC001565942364 1415460876 /nfs/dbraw/zinc/46/08/76/1415460876.db2.gz YELKKVSXRPBXLR-GOEBONIOSA-N 2 1 329.916 2.688 10 30 EFEEMP C=CCCC[NH+]1CCC[C@@H]2[C@H](NC(=O)C[N@H+](C)CCC)C(C)(C)[C@H]21 ZINC001565994391 1415474001 /nfs/dbraw/zinc/47/40/01/1415474001.db2.gz FYFGWAMWNBRVRG-NEWSRXKRSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+](C)CCC)C(C)(C)[C@H]21 ZINC001565994391 1415474002 /nfs/dbraw/zinc/47/40/02/1415474002.db2.gz FYFGWAMWNBRVRG-NEWSRXKRSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+](C)CCC)C(C)(C)[C@H]21 ZINC001565994391 1415474003 /nfs/dbraw/zinc/47/40/03/1415474003.db2.gz FYFGWAMWNBRVRG-NEWSRXKRSA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)[C@@H]21 ZINC001565994802 1415475213 /nfs/dbraw/zinc/47/52/13/1415475213.db2.gz KLPOLZDETNHKKG-BHIYHBOVSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001566004132 1415480017 /nfs/dbraw/zinc/48/00/17/1415480017.db2.gz YJWVVLRVRJGIQO-GUDVDZBRSA-N 2 1 347.478 2.626 10 30 EFEEMP C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001566004132 1415480019 /nfs/dbraw/zinc/48/00/19/1415480019.db2.gz YJWVVLRVRJGIQO-GUDVDZBRSA-N 2 1 347.478 2.626 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001566129895 1415528482 /nfs/dbraw/zinc/52/84/82/1415528482.db2.gz LGDIBWXPYDIPQN-QGZVFWFLSA-N 2 1 332.492 2.765 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001566129895 1415528485 /nfs/dbraw/zinc/52/84/85/1415528485.db2.gz LGDIBWXPYDIPQN-QGZVFWFLSA-N 2 1 332.492 2.765 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001566672272 1415725022 /nfs/dbraw/zinc/72/50/22/1415725022.db2.gz OPOYJLVQZQBGFB-ZWKOTPCHSA-N 2 1 344.503 2.691 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001566672272 1415725023 /nfs/dbraw/zinc/72/50/23/1415725023.db2.gz OPOYJLVQZQBGFB-ZWKOTPCHSA-N 2 1 344.503 2.691 10 30 EFEEMP C=CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001566700362 1415739509 /nfs/dbraw/zinc/73/95/09/1415739509.db2.gz YBIIZDIQOIMRRV-QGZVFWFLSA-N 2 1 344.503 2.643 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CCCCCC1)C1CC1 ZINC001566711269 1415742799 /nfs/dbraw/zinc/74/27/99/1415742799.db2.gz LDINZJGXRUNHSW-UXHICEINSA-N 2 1 345.531 2.539 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CCCCCC1)C1CC1 ZINC001566711269 1415742801 /nfs/dbraw/zinc/74/28/01/1415742801.db2.gz LDINZJGXRUNHSW-UXHICEINSA-N 2 1 345.531 2.539 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)CCc2cncn2C)C1 ZINC001566746557 1415759065 /nfs/dbraw/zinc/75/90/65/1415759065.db2.gz KWSQGRKUWCMIOS-ROUUACIJSA-N 2 1 346.519 2.878 10 30 EFEEMP C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001566746306 1415759262 /nfs/dbraw/zinc/75/92/62/1415759262.db2.gz FQPVOQLABOQHMJ-HXUWFJFHSA-N 2 1 343.515 2.865 10 30 EFEEMP C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001566746306 1415759266 /nfs/dbraw/zinc/75/92/66/1415759266.db2.gz FQPVOQLABOQHMJ-HXUWFJFHSA-N 2 1 343.515 2.865 10 30 EFEEMP C=CCC[NH+](C)C[C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001566746306 1415759271 /nfs/dbraw/zinc/75/92/71/1415759271.db2.gz FQPVOQLABOQHMJ-HXUWFJFHSA-N 2 1 343.515 2.865 10 30 EFEEMP C=CCC[NH+](C)C[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001566746306 1415759274 /nfs/dbraw/zinc/75/92/74/1415759274.db2.gz FQPVOQLABOQHMJ-HXUWFJFHSA-N 2 1 343.515 2.865 10 30 EFEEMP C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1([NH+](C)C)CCC1 ZINC001566753063 1415761712 /nfs/dbraw/zinc/76/17/12/1415761712.db2.gz XTOWJFONWASBCD-HDICACEKSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CC(C)(C)C ZINC001566755651 1415764290 /nfs/dbraw/zinc/76/42/90/1415764290.db2.gz OBRLBKHANCZDBQ-OKZBNKHCSA-N 2 1 335.536 2.994 10 30 EFEEMP C=CCC[C@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)CC(C)(C)C ZINC001566755651 1415764291 /nfs/dbraw/zinc/76/42/91/1415764291.db2.gz OBRLBKHANCZDBQ-OKZBNKHCSA-N 2 1 335.536 2.994 10 30 EFEEMP C=CCC[C@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)CC(C)(C)C ZINC001566755651 1415764293 /nfs/dbraw/zinc/76/42/93/1415764293.db2.gz OBRLBKHANCZDBQ-OKZBNKHCSA-N 2 1 335.536 2.994 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001566883080 1415823456 /nfs/dbraw/zinc/82/34/56/1415823456.db2.gz ZKYVVADGHJCALL-KRWDZBQOSA-N 2 1 341.927 2.833 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001566883080 1415823462 /nfs/dbraw/zinc/82/34/62/1415823462.db2.gz ZKYVVADGHJCALL-KRWDZBQOSA-N 2 1 341.927 2.833 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001566955306 1415868410 /nfs/dbraw/zinc/86/84/10/1415868410.db2.gz KSXIBPWTUGWXSO-MOPGFXCFSA-N 2 1 345.531 2.894 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001566955307 1415868830 /nfs/dbraw/zinc/86/88/30/1415868830.db2.gz KSXIBPWTUGWXSO-OALUTQOASA-N 2 1 345.531 2.894 10 30 EFEEMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CN(C)Cc2ccccc2)C1 ZINC001567203236 1415993464 /nfs/dbraw/zinc/99/34/64/1415993464.db2.gz PXXZJAJDUBLNIA-LJQANCHMSA-N 2 1 329.488 2.617 10 30 EFEEMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001567203236 1415993465 /nfs/dbraw/zinc/99/34/65/1415993465.db2.gz PXXZJAJDUBLNIA-LJQANCHMSA-N 2 1 329.488 2.617 10 30 EFEEMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001567203236 1415993468 /nfs/dbraw/zinc/99/34/68/1415993468.db2.gz PXXZJAJDUBLNIA-LJQANCHMSA-N 2 1 329.488 2.617 10 30 EFEEMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001567203236 1415993469 /nfs/dbraw/zinc/99/34/69/1415993469.db2.gz PXXZJAJDUBLNIA-LJQANCHMSA-N 2 1 329.488 2.617 10 30 EFEEMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001567203236 1415993472 /nfs/dbraw/zinc/99/34/72/1415993472.db2.gz PXXZJAJDUBLNIA-LJQANCHMSA-N 2 1 329.488 2.617 10 30 EFEEMP C=CCC[N@H+]1CCC[C@H]1CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001567254520 1416025019 /nfs/dbraw/zinc/02/50/19/1416025019.db2.gz OYFOTYGELJXUKB-GOSISDBHSA-N 2 1 333.520 2.799 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001567255744 1416027344 /nfs/dbraw/zinc/02/73/44/1416027344.db2.gz XCMAEDDCQJCLOJ-AZUAARDMSA-N 2 1 345.531 2.778 10 30 EFEEMP C#CCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001567255744 1416027349 /nfs/dbraw/zinc/02/73/49/1416027349.db2.gz XCMAEDDCQJCLOJ-AZUAARDMSA-N 2 1 345.531 2.778 10 30 EFEEMP C#CCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001567255744 1416027356 /nfs/dbraw/zinc/02/73/56/1416027356.db2.gz XCMAEDDCQJCLOJ-AZUAARDMSA-N 2 1 345.531 2.778 10 30 EFEEMP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001567265940 1416043870 /nfs/dbraw/zinc/04/38/70/1416043870.db2.gz DTAGIENWVKCLRE-WOJBJXKFSA-N 2 1 347.547 2.881 10 30 EFEEMP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001567266832 1416045204 /nfs/dbraw/zinc/04/52/04/1416045204.db2.gz OADDJIUZNLHQRB-PMACEKPBSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001567266832 1416045206 /nfs/dbraw/zinc/04/52/06/1416045206.db2.gz OADDJIUZNLHQRB-PMACEKPBSA-N 2 1 341.499 2.673 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001567413442 1416126345 /nfs/dbraw/zinc/12/63/45/1416126345.db2.gz DBJBTHHUZLLZPL-DLBZAZTESA-N 2 1 332.492 2.799 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001567413442 1416126351 /nfs/dbraw/zinc/12/63/51/1416126351.db2.gz DBJBTHHUZLLZPL-DLBZAZTESA-N 2 1 332.492 2.799 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001567419773 1416129367 /nfs/dbraw/zinc/12/93/67/1416129367.db2.gz UNDUBQQXUDLIBA-PKOBYXMFSA-N 2 1 329.488 2.694 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001567419773 1416129373 /nfs/dbraw/zinc/12/93/73/1416129373.db2.gz UNDUBQQXUDLIBA-PKOBYXMFSA-N 2 1 329.488 2.694 10 30 EFEEMP CC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001567627291 1416216069 /nfs/dbraw/zinc/21/60/69/1416216069.db2.gz RJQHWHIRYHTYJZ-XLIONFOSSA-N 2 1 345.531 2.633 10 30 EFEEMP C=C(C)CC[N@@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001567647451 1416226715 /nfs/dbraw/zinc/22/67/15/1416226715.db2.gz MSCLERQNOMGVCX-GOSISDBHSA-N 2 1 346.519 2.937 10 30 EFEEMP C=C(C)CC[N@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001567647451 1416226716 /nfs/dbraw/zinc/22/67/16/1416226716.db2.gz MSCLERQNOMGVCX-GOSISDBHSA-N 2 1 346.519 2.937 10 30 EFEEMP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)c1ccccc1 ZINC001567661489 1416235489 /nfs/dbraw/zinc/23/54/89/1416235489.db2.gz ZPSLPRJVEMWJGI-OALUTQOASA-N 2 1 329.488 2.740 10 30 EFEEMP C=CC[NH2+][C@@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC001567666280 1416238614 /nfs/dbraw/zinc/23/86/14/1416238614.db2.gz WUMOEXRQGUERBS-PMACEKPBSA-N 2 1 337.467 2.922 10 30 EFEEMP C#CCC[N@@H+](C)CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001567746312 1416269884 /nfs/dbraw/zinc/26/98/84/1416269884.db2.gz CAHYWGDDYXFSQR-KRWDZBQOSA-N 2 1 344.503 2.590 10 30 EFEEMP C#CCC[N@H+](C)CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001567746312 1416269889 /nfs/dbraw/zinc/26/98/89/1416269889.db2.gz CAHYWGDDYXFSQR-KRWDZBQOSA-N 2 1 344.503 2.590 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)CC(CC)CC)CC1 ZINC001567748956 1416271151 /nfs/dbraw/zinc/27/11/51/1416271151.db2.gz VCDIYJDDMDTVCC-FQEVSTJZSA-N 2 1 347.547 2.691 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)CC(CC)CC)CC1 ZINC001567748956 1416271153 /nfs/dbraw/zinc/27/11/53/1416271153.db2.gz VCDIYJDDMDTVCC-FQEVSTJZSA-N 2 1 347.547 2.691 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)CC(CC)CC)CC1 ZINC001567748956 1416271155 /nfs/dbraw/zinc/27/11/55/1416271155.db2.gz VCDIYJDDMDTVCC-FQEVSTJZSA-N 2 1 347.547 2.691 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)CC(CC)CC)CC1 ZINC001567748956 1416271159 /nfs/dbraw/zinc/27/11/59/1416271159.db2.gz VCDIYJDDMDTVCC-FQEVSTJZSA-N 2 1 347.547 2.691 10 30 EFEEMP C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001568067762 1416391581 /nfs/dbraw/zinc/39/15/81/1416391581.db2.gz ILBFEOJJIRYZHB-APWZRJJASA-N 2 1 339.499 2.603 10 30 EFEEMP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001568076819 1416398029 /nfs/dbraw/zinc/39/80/29/1416398029.db2.gz RUXSCWQINXLGMV-ICSRJNTNSA-N 2 1 341.499 2.531 10 30 EFEEMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001568105720 1416412439 /nfs/dbraw/zinc/41/24/39/1416412439.db2.gz WIOWBRDHWUEPKA-ULQDDVLXSA-N 2 1 332.492 2.990 10 30 EFEEMP CC#CC[NH+]1CCC(CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001568126151 1416419849 /nfs/dbraw/zinc/41/98/49/1416419849.db2.gz SDDPKHQYNGUVNZ-KRWDZBQOSA-N 2 1 344.503 2.638 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)CC2 ZINC001568154978 1416427106 /nfs/dbraw/zinc/42/71/06/1416427106.db2.gz BKJZPJMSEKPHID-RBUKOAKNSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCC2(C1)CCN(C(=O)C[N@H+]1CC[C@H](C)C1)CC2 ZINC001568154978 1416427108 /nfs/dbraw/zinc/42/71/08/1416427108.db2.gz BKJZPJMSEKPHID-RBUKOAKNSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CCC2(C1)CCN(C(=O)C1CC[NH+](C)CC1)CC2 ZINC001568155674 1416428060 /nfs/dbraw/zinc/42/80/60/1416428060.db2.gz XVIGQCWAUWULFS-SFHVURJKSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)CC2 ZINC001568156197 1416428384 /nfs/dbraw/zinc/42/83/84/1416428384.db2.gz QJRYYFDZYNSANM-LJQANCHMSA-N 2 1 345.531 2.609 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001568300234 1416470233 /nfs/dbraw/zinc/47/02/33/1416470233.db2.gz NCXNWWZSLLLCCC-QAPCUYQASA-N 2 1 327.488 2.602 10 30 EFEEMP C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001568336219 1416481061 /nfs/dbraw/zinc/48/10/61/1416481061.db2.gz OTVDRLTXISTCJQ-VQIMIIECSA-N 2 1 341.515 2.896 10 30 EFEEMP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001568386031 1416506342 /nfs/dbraw/zinc/50/63/42/1416506342.db2.gz SRYQSQWTRVGSOO-IRXDYDNUSA-N 2 1 332.492 2.943 10 30 EFEEMP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001690128433 1417161079 /nfs/dbraw/zinc/16/10/79/1417161079.db2.gz OXMMVVZCAOGYGW-SFHVURJKSA-N 2 1 344.503 2.909 10 30 EFEEMP C=CCCCCC[N@@H+]1CCC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001690388196 1417206104 /nfs/dbraw/zinc/20/61/04/1417206104.db2.gz DYZWAYGTMTWYHL-GOSISDBHSA-N 2 1 335.536 2.903 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]([C@@H](C)CCC=C)C2)CC1 ZINC001690393875 1417209065 /nfs/dbraw/zinc/20/90/65/1417209065.db2.gz NVEVNRNRYPHCGQ-RBUKOAKNSA-N 2 1 345.531 2.515 10 30 EFEEMP C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001692257575 1417269899 /nfs/dbraw/zinc/26/98/99/1417269899.db2.gz JEMIYWQJPNGCMH-ROUUACIJSA-N 2 1 344.503 2.643 10 30 EFEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001692257575 1417269902 /nfs/dbraw/zinc/26/99/02/1417269902.db2.gz JEMIYWQJPNGCMH-ROUUACIJSA-N 2 1 344.503 2.643 10 30 EFEEMP C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001692257574 1417270064 /nfs/dbraw/zinc/27/00/64/1417270064.db2.gz JEMIYWQJPNGCMH-MSOLQXFVSA-N 2 1 344.503 2.643 10 30 EFEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001692257574 1417270067 /nfs/dbraw/zinc/27/00/67/1417270067.db2.gz JEMIYWQJPNGCMH-MSOLQXFVSA-N 2 1 344.503 2.643 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@@H]2C1 ZINC001692265168 1417271639 /nfs/dbraw/zinc/27/16/39/1417271639.db2.gz RMYGMIDFWRHDOM-QYZOEREBSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@H]2C1 ZINC001692265168 1417271641 /nfs/dbraw/zinc/27/16/41/1417271641.db2.gz RMYGMIDFWRHDOM-QYZOEREBSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@H]2C1 ZINC001692265168 1417271644 /nfs/dbraw/zinc/27/16/44/1417271644.db2.gz RMYGMIDFWRHDOM-QYZOEREBSA-N 2 1 333.520 2.607 10 30 EFEEMP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001692336178 1417279293 /nfs/dbraw/zinc/27/92/93/1417279293.db2.gz HUHBDZPQGZOEPD-UXHICEINSA-N 2 1 341.499 2.673 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001698710475 1417316181 /nfs/dbraw/zinc/31/61/81/1417316181.db2.gz XZNPEGHTTLGWAB-NCXUSEDFSA-N 2 1 333.520 2.987 10 30 EFEEMP C=CCCC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]21 ZINC001699020252 1417372503 /nfs/dbraw/zinc/37/25/03/1417372503.db2.gz MRJFAPFJRZATIS-ZWKOTPCHSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)CC[C@H]21 ZINC001699020252 1417372513 /nfs/dbraw/zinc/37/25/13/1417372513.db2.gz MRJFAPFJRZATIS-ZWKOTPCHSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)CC[C@H]21 ZINC001699020252 1417372518 /nfs/dbraw/zinc/37/25/18/1417372518.db2.gz MRJFAPFJRZATIS-ZWKOTPCHSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001699682794 1417449996 /nfs/dbraw/zinc/44/99/96/1417449996.db2.gz RWFAHILMFIMSDE-MOPGFXCFSA-N 2 1 333.520 2.894 10 30 EFEEMP CC#CC[N@@H+](CC1CC1)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001699688679 1417453383 /nfs/dbraw/zinc/45/33/83/1417453383.db2.gz IAQZFYUDMWWXPY-QZTJIDSGSA-N 2 1 345.531 2.586 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001699696662 1417457038 /nfs/dbraw/zinc/45/70/38/1417457038.db2.gz JJZPQUZWOBHKSU-AZUAARDMSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CC[N@H+]1CCC[C@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001699874700 1417490403 /nfs/dbraw/zinc/49/04/03/1417490403.db2.gz PMJZBHOWJZCUGO-QFBILLFUSA-N 2 1 332.492 2.801 10 30 EFEEMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001699874700 1417490409 /nfs/dbraw/zinc/49/04/09/1417490409.db2.gz PMJZBHOWJZCUGO-QFBILLFUSA-N 2 1 332.492 2.801 10 30 EFEEMP CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@]34CC[NH+](C3)CCC4)C[C@H]2C1 ZINC001699990843 1417539035 /nfs/dbraw/zinc/53/90/35/1417539035.db2.gz OXKVMYBWMGPQGH-ZVDOUQERSA-N 2 1 347.547 2.833 10 30 EFEEMP CCCCCCC[NH+]1C[C@H]2CN(C(=O)[C@@]34CC[N@H+](C3)CCC4)C[C@H]2C1 ZINC001699990843 1417539040 /nfs/dbraw/zinc/53/90/40/1417539040.db2.gz OXKVMYBWMGPQGH-ZVDOUQERSA-N 2 1 347.547 2.833 10 30 EFEEMP CCCCCCC[NH+]1C[C@H]2CN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C[C@H]2C1 ZINC001699990843 1417539045 /nfs/dbraw/zinc/53/90/45/1417539045.db2.gz OXKVMYBWMGPQGH-ZVDOUQERSA-N 2 1 347.547 2.833 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)C[C@@H](C)n3ccnc3)C[C@H]2C1 ZINC001699991551 1417539188 /nfs/dbraw/zinc/53/91/88/1417539188.db2.gz PIQIHADNVFTITA-TVFCKZIOSA-N 2 1 330.476 2.579 10 30 EFEEMP C=CC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001700089691 1417561744 /nfs/dbraw/zinc/56/17/44/1417561744.db2.gz BGWDZXPOXDVVOY-IBGZPJMESA-N 2 1 329.488 2.795 10 30 EFEEMP C=CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001700089691 1417561747 /nfs/dbraw/zinc/56/17/47/1417561747.db2.gz BGWDZXPOXDVVOY-IBGZPJMESA-N 2 1 329.488 2.795 10 30 EFEEMP C=CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001700089691 1417561750 /nfs/dbraw/zinc/56/17/50/1417561750.db2.gz BGWDZXPOXDVVOY-IBGZPJMESA-N 2 1 329.488 2.795 10 30 EFEEMP C=C(Cl)C[NH2+]CCC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001700709778 1417625679 /nfs/dbraw/zinc/62/56/79/1417625679.db2.gz VTMKNFCVWODEPW-QZTJIDSGSA-N 2 1 349.906 2.918 10 30 EFEEMP CC#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001707271561 1418232515 /nfs/dbraw/zinc/23/25/15/1418232515.db2.gz IBATZTGTYNIRJY-SFHVURJKSA-N 2 1 338.455 2.593 10 30 EFEEMP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001713132719 1418334617 /nfs/dbraw/zinc/33/46/17/1418334617.db2.gz FHMQQBWIXBFURC-LJQANCHMSA-N 2 1 347.547 2.692 10 30 EFEEMP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001713199972 1418372658 /nfs/dbraw/zinc/37/26/58/1418372658.db2.gz VYDOWPCBNKSEPF-KURKYZTESA-N 2 1 344.503 2.737 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713223709 1418395312 /nfs/dbraw/zinc/39/53/12/1418395312.db2.gz FWZFZEUGTQXNJD-MOPGFXCFSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001713238601 1418407958 /nfs/dbraw/zinc/40/79/58/1418407958.db2.gz IYXSJMABJYASJV-FQEVSTJZSA-N 2 1 343.515 2.565 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001713238602 1418408324 /nfs/dbraw/zinc/40/83/24/1418408324.db2.gz IYXSJMABJYASJV-HXUWFJFHSA-N 2 1 343.515 2.565 10 30 EFEEMP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001713264427 1418432179 /nfs/dbraw/zinc/43/21/79/1418432179.db2.gz CSFCDHIZLDSKJM-LJQANCHMSA-N 2 1 333.520 2.635 10 30 EFEEMP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001713265979 1418433127 /nfs/dbraw/zinc/43/31/27/1418433127.db2.gz CJXMTTYLJINZFV-QZTJIDSGSA-N 2 1 344.503 2.691 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](CCCC=C)C2)CC1 ZINC001713278689 1418448384 /nfs/dbraw/zinc/44/83/84/1418448384.db2.gz HDJPCKKXFQUUFZ-UYAOXDASSA-N 2 1 345.531 2.515 10 30 EFEEMP C=CCC[NH2+]C1CCC(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001713290190 1418456724 /nfs/dbraw/zinc/45/67/24/1418456724.db2.gz DAVYQACKYLZKRE-LADRWXRNSA-N 2 1 339.499 2.792 10 30 EFEEMP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001713432978 1418526415 /nfs/dbraw/zinc/52/64/15/1418526415.db2.gz PEFISNDJMDRTAH-PKOBYXMFSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001713432978 1418526416 /nfs/dbraw/zinc/52/64/16/1418526416.db2.gz PEFISNDJMDRTAH-PKOBYXMFSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001713432978 1418526419 /nfs/dbraw/zinc/52/64/19/1418526419.db2.gz PEFISNDJMDRTAH-PKOBYXMFSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001713514552 1418555556 /nfs/dbraw/zinc/55/55/56/1418555556.db2.gz CUUGXTLFQBQGJJ-IAGOWNOFSA-N 2 1 332.492 2.942 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001713514552 1418555562 /nfs/dbraw/zinc/55/55/62/1418555562.db2.gz CUUGXTLFQBQGJJ-IAGOWNOFSA-N 2 1 332.492 2.942 10 30 EFEEMP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001714138786 1418584078 /nfs/dbraw/zinc/58/40/78/1418584078.db2.gz VNBBOLRXUXCVGU-UXHICEINSA-N 2 1 341.499 2.673 10 30 EFEEMP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001715858817 1418690351 /nfs/dbraw/zinc/69/03/51/1418690351.db2.gz DAEKSBZYXMRPDG-RTRPANQVSA-N 2 1 339.911 2.798 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccccc1Cl ZINC001716440637 1418883632 /nfs/dbraw/zinc/88/36/32/1418883632.db2.gz LCLRDWAUEVDWFN-DAYGRLMNSA-N 2 1 347.890 2.593 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccccc1Cl ZINC001716440637 1418883633 /nfs/dbraw/zinc/88/36/33/1418883633.db2.gz LCLRDWAUEVDWFN-DAYGRLMNSA-N 2 1 347.890 2.593 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)C1 ZINC001716705517 1418964127 /nfs/dbraw/zinc/96/41/27/1418964127.db2.gz BEWDTGQJIRRUAD-MOPGFXCFSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001716705517 1418964128 /nfs/dbraw/zinc/96/41/28/1418964128.db2.gz BEWDTGQJIRRUAD-MOPGFXCFSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001716705517 1418964131 /nfs/dbraw/zinc/96/41/31/1418964131.db2.gz BEWDTGQJIRRUAD-MOPGFXCFSA-N 2 1 335.536 2.996 10 30 EFEEMP CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001716708456 1418966758 /nfs/dbraw/zinc/96/67/58/1418966758.db2.gz GEYIMFYSAYJTII-NXEWRWPSSA-N 2 1 345.531 2.774 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)CC1 ZINC001716712489 1418968213 /nfs/dbraw/zinc/96/82/13/1418968213.db2.gz MUICIKVPRDCWAQ-MOPGFXCFSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001716723305 1418974388 /nfs/dbraw/zinc/97/43/88/1418974388.db2.gz DLQRPJABFGYNGG-FXAWDEMLSA-N 2 1 344.503 2.861 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001716723305 1418974391 /nfs/dbraw/zinc/97/43/91/1418974391.db2.gz DLQRPJABFGYNGG-FXAWDEMLSA-N 2 1 344.503 2.861 10 30 EFEEMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001716732003 1418982421 /nfs/dbraw/zinc/98/24/21/1418982421.db2.gz OJRMUSDKZUNVCC-IBGZPJMESA-N 2 1 333.520 2.609 10 30 EFEEMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001716770590 1419000555 /nfs/dbraw/zinc/00/05/55/1419000555.db2.gz KXKNSXWEKZDZPR-AEFFLSMTSA-N 2 1 332.492 2.907 10 30 EFEEMP C#CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CCCCCC=C)CC1 ZINC001716803949 1419019115 /nfs/dbraw/zinc/01/91/15/1419019115.db2.gz RHIBWAXRQVKBFM-FQEVSTJZSA-N 2 1 345.531 2.753 10 30 EFEEMP C#CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001716808939 1419022754 /nfs/dbraw/zinc/02/27/54/1419022754.db2.gz NGZCNMIZXYAYGJ-SFHVURJKSA-N 2 1 349.563 2.937 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001716900431 1419085518 /nfs/dbraw/zinc/08/55/18/1419085518.db2.gz OXZYBTCCXAPHIS-FQEVSTJZSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CCC[C@@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001716901119 1419086900 /nfs/dbraw/zinc/08/69/00/1419086900.db2.gz BIJNFLQDPQUAOS-HKUYNNGSSA-N 2 1 333.520 2.655 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NC[C@@]2(C)CCC[N@H+](C[C@@H](C)CC)C2)CC1 ZINC001716903143 1419088749 /nfs/dbraw/zinc/08/87/49/1419088749.db2.gz XXWRYAZLFPCFKD-GHTZIAJQSA-N 2 1 347.547 2.596 10 30 EFEEMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001716998237 1419134579 /nfs/dbraw/zinc/13/45/79/1419134579.db2.gz MZWWQULJONKZRM-RNQOJCNYSA-N 2 1 345.531 2.654 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]C[C@@H](C)CC)CC1 ZINC001717002261 1419138352 /nfs/dbraw/zinc/13/83/52/1419138352.db2.gz RWNFWTHENKRACH-MUGJNUQGSA-N 2 1 347.547 2.642 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]C[C@@H](C)CC)CC1 ZINC001717002261 1419138356 /nfs/dbraw/zinc/13/83/56/1419138356.db2.gz RWNFWTHENKRACH-MUGJNUQGSA-N 2 1 347.547 2.642 10 30 EFEEMP C=CCC[C@H](C)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001717009955 1419145698 /nfs/dbraw/zinc/14/56/98/1419145698.db2.gz MQSMPOYGBDURAM-OKYOBFRVSA-N 2 1 333.520 2.604 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001717009955 1419145701 /nfs/dbraw/zinc/14/57/01/1419145701.db2.gz MQSMPOYGBDURAM-OKYOBFRVSA-N 2 1 333.520 2.604 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001717009955 1419145703 /nfs/dbraw/zinc/14/57/03/1419145703.db2.gz MQSMPOYGBDURAM-OKYOBFRVSA-N 2 1 333.520 2.604 10 30 EFEEMP C=CCCCCC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001717042689 1419176414 /nfs/dbraw/zinc/17/64/14/1419176414.db2.gz CHOLTZYVCWJQGL-RBUKOAKNSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001717042302 1419176962 /nfs/dbraw/zinc/17/69/62/1419176962.db2.gz NJIZQENAWXTUHQ-YZGWKJHDSA-N 2 1 347.547 2.996 10 30 EFEEMP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001717101957 1419209337 /nfs/dbraw/zinc/20/93/37/1419209337.db2.gz WZGAXEBDEUIZPO-QGZVFWFLSA-N 2 1 332.492 2.801 10 30 EFEEMP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001717122694 1419224083 /nfs/dbraw/zinc/22/40/83/1419224083.db2.gz MTHMCVMWVHQQAH-KZNAEPCWSA-N 2 1 344.503 2.595 10 30 EFEEMP C=CCC[NH+]1CCc2c(CNC(=O)C[N@H+](C)CCC)cccc2C1 ZINC001717144154 1419235886 /nfs/dbraw/zinc/23/58/86/1419235886.db2.gz YDCWZHBBYMNCOO-UHFFFAOYSA-N 2 1 329.488 2.579 10 30 EFEEMP C=CCC[N@H+]1CCc2c(CNC(=O)C[NH+](C)CCC)cccc2C1 ZINC001717144154 1419235889 /nfs/dbraw/zinc/23/58/89/1419235889.db2.gz YDCWZHBBYMNCOO-UHFFFAOYSA-N 2 1 329.488 2.579 10 30 EFEEMP C=CCC[N@@H+]1CCc2c(CNC(=O)C[NH+](C)CCC)cccc2C1 ZINC001717144154 1419235891 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SGZPARBUQKIQQC-RBUKOAKNSA-N 2 1 344.503 2.800 10 30 EFEEMP C=CCCC[NH+]1Cc2ccc(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)cc2C1 ZINC001717271114 1419300418 /nfs/dbraw/zinc/30/04/18/1419300418.db2.gz XRHKBELNJOESRW-QGZVFWFLSA-N 2 1 341.499 2.926 10 30 EFEEMP C=CCCC[N@H+]1Cc2ccc(CNC(=O)C[NH+]3CC[C@@H](C)C3)cc2C1 ZINC001717271114 1419300422 /nfs/dbraw/zinc/30/04/22/1419300422.db2.gz XRHKBELNJOESRW-QGZVFWFLSA-N 2 1 341.499 2.926 10 30 EFEEMP C=CCCC[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3CC[C@@H](C)C3)cc2C1 ZINC001717271114 1419300426 /nfs/dbraw/zinc/30/04/26/1419300426.db2.gz XRHKBELNJOESRW-QGZVFWFLSA-N 2 1 341.499 2.926 10 30 EFEEMP C=C(C)CC[NH+]1Cc2ccc(CNC(=O)C[N@@H+]3CC[C@H](C)C3)cc2C1 ZINC001717271005 1419300791 /nfs/dbraw/zinc/30/07/91/1419300791.db2.gz UBBRVYBADGVHOG-KRWDZBQOSA-N 2 1 341.499 2.926 10 30 EFEEMP C=C(C)CC[N@H+]1Cc2ccc(CNC(=O)C[NH+]3CC[C@H](C)C3)cc2C1 ZINC001717271005 1419300795 /nfs/dbraw/zinc/30/07/95/1419300795.db2.gz UBBRVYBADGVHOG-KRWDZBQOSA-N 2 1 341.499 2.926 10 30 EFEEMP 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YCZLRAALHPKEPE-QZTJIDSGSA-N 2 1 344.503 2.643 10 30 EFEEMP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001717375447 1419367122 /nfs/dbraw/zinc/36/71/22/1419367122.db2.gz YCZLRAALHPKEPE-QZTJIDSGSA-N 2 1 344.503 2.643 10 30 EFEEMP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)Cc1ccccc1 ZINC001717376018 1419367132 /nfs/dbraw/zinc/36/71/32/1419367132.db2.gz ITCBPJXWDIBXPB-IBGZPJMESA-N 2 1 329.488 2.617 10 30 EFEEMP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)Cc1ccccc1 ZINC001717376018 1419367134 /nfs/dbraw/zinc/36/71/34/1419367134.db2.gz ITCBPJXWDIBXPB-IBGZPJMESA-N 2 1 329.488 2.617 10 30 EFEEMP C=CCC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001717376018 1419367137 /nfs/dbraw/zinc/36/71/37/1419367137.db2.gz ITCBPJXWDIBXPB-IBGZPJMESA-N 2 1 329.488 2.617 10 30 EFEEMP C=CCC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001717376018 1419367139 /nfs/dbraw/zinc/36/71/39/1419367139.db2.gz ITCBPJXWDIBXPB-IBGZPJMESA-N 2 1 329.488 2.617 10 30 EFEEMP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001717375448 1419367418 /nfs/dbraw/zinc/36/74/18/1419367418.db2.gz YCZLRAALHPKEPE-ROUUACIJSA-N 2 1 344.503 2.643 10 30 EFEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001717375448 1419367421 /nfs/dbraw/zinc/36/74/21/1419367421.db2.gz YCZLRAALHPKEPE-ROUUACIJSA-N 2 1 344.503 2.643 10 30 EFEEMP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)Cc1ccccc1 ZINC001717376019 1419367675 /nfs/dbraw/zinc/36/76/75/1419367675.db2.gz ITCBPJXWDIBXPB-LJQANCHMSA-N 2 1 329.488 2.617 10 30 EFEEMP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)Cc1ccccc1 ZINC001717376019 1419367677 /nfs/dbraw/zinc/36/76/77/1419367677.db2.gz ITCBPJXWDIBXPB-LJQANCHMSA-N 2 1 329.488 2.617 10 30 EFEEMP C=CCC[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001717376019 1419367681 /nfs/dbraw/zinc/36/76/81/1419367681.db2.gz ITCBPJXWDIBXPB-LJQANCHMSA-N 2 1 329.488 2.617 10 30 EFEEMP C=CCC[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001717376019 1419367685 /nfs/dbraw/zinc/36/76/85/1419367685.db2.gz ITCBPJXWDIBXPB-LJQANCHMSA-N 2 1 329.488 2.617 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)[C@H](C)CCC=C)CC1 ZINC001717376572 1419368207 /nfs/dbraw/zinc/36/82/07/1419368207.db2.gz UCCICDXJBDEWOD-QUCCMNQESA-N 2 1 345.531 2.609 10 30 EFEEMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001717537023 1419433468 /nfs/dbraw/zinc/43/34/68/1419433468.db2.gz VTNYKCSCIALRMZ-MSOLQXFVSA-N 2 1 344.503 2.781 10 30 EFEEMP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001717537023 1419433469 /nfs/dbraw/zinc/43/34/69/1419433469.db2.gz VTNYKCSCIALRMZ-MSOLQXFVSA-N 2 1 344.503 2.781 10 30 EFEEMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001717537026 1419433500 /nfs/dbraw/zinc/43/35/00/1419433500.db2.gz VTNYKCSCIALRMZ-ZWKOTPCHSA-N 2 1 344.503 2.781 10 30 EFEEMP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001717537026 1419433501 /nfs/dbraw/zinc/43/35/01/1419433501.db2.gz VTNYKCSCIALRMZ-ZWKOTPCHSA-N 2 1 344.503 2.781 10 30 EFEEMP C=CCCC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC001717630292 1419478443 /nfs/dbraw/zinc/47/84/43/1419478443.db2.gz LEVPNCCPBMVUFB-QZTJIDSGSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@]2(C)C1 ZINC001717630788 1419479527 /nfs/dbraw/zinc/47/95/27/1419479527.db2.gz DGWPBFMUKVDPKH-BGYRXZFFSA-N 2 1 335.536 2.711 10 30 EFEEMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@]2(C)C1 ZINC001717630788 1419479529 /nfs/dbraw/zinc/47/95/29/1419479529.db2.gz DGWPBFMUKVDPKH-BGYRXZFFSA-N 2 1 335.536 2.711 10 30 EFEEMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@]2(C)C1 ZINC001717630788 1419479530 /nfs/dbraw/zinc/47/95/30/1419479530.db2.gz DGWPBFMUKVDPKH-BGYRXZFFSA-N 2 1 335.536 2.711 10 30 EFEEMP C=CCC[C@@H](C)[NH+](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001717700815 1419514589 /nfs/dbraw/zinc/51/45/89/1419514589.db2.gz HVRCVGKMZUVZTF-NZSAHSFTSA-N 2 1 335.536 2.994 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001717700815 1419514590 /nfs/dbraw/zinc/51/45/90/1419514590.db2.gz HVRCVGKMZUVZTF-NZSAHSFTSA-N 2 1 335.536 2.994 10 30 EFEEMP C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001717700815 1419514594 /nfs/dbraw/zinc/51/45/94/1419514594.db2.gz HVRCVGKMZUVZTF-NZSAHSFTSA-N 2 1 335.536 2.994 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CCCCCC)CC1 ZINC001717702177 1419516167 /nfs/dbraw/zinc/51/61/67/1419516167.db2.gz SITWUKFIPGSIFR-IBGZPJMESA-N 2 1 333.520 2.587 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)CCCCCC)CC1 ZINC001717702177 1419516169 /nfs/dbraw/zinc/51/61/69/1419516169.db2.gz SITWUKFIPGSIFR-IBGZPJMESA-N 2 1 333.520 2.587 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CCCCCC)CC1 ZINC001717702177 1419516170 /nfs/dbraw/zinc/51/61/70/1419516170.db2.gz SITWUKFIPGSIFR-IBGZPJMESA-N 2 1 333.520 2.587 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CCCCCC)CC1 ZINC001717702177 1419516172 /nfs/dbraw/zinc/51/61/72/1419516172.db2.gz SITWUKFIPGSIFR-IBGZPJMESA-N 2 1 333.520 2.587 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@]2(NC(=O)[C@@]34CC[NH+](C3)CCC4)CCC[C@@H]12 ZINC001717840819 1419570140 /nfs/dbraw/zinc/57/01/40/1419570140.db2.gz LIWBTNKUNFDUQW-HOJAQTOUSA-N 2 1 331.504 2.552 10 30 EFEEMP C=CCCC[NH+]1CC[C@@]2(NC(=O)[C@@]34CC[N@H+](C3)CCC4)CCC[C@@H]12 ZINC001717840819 1419570142 /nfs/dbraw/zinc/57/01/42/1419570142.db2.gz LIWBTNKUNFDUQW-HOJAQTOUSA-N 2 1 331.504 2.552 10 30 EFEEMP C=CCCC[NH+]1CC[C@@]2(NC(=O)[C@@]34CC[N@@H+](C3)CCC4)CCC[C@@H]12 ZINC001717840819 1419570146 /nfs/dbraw/zinc/57/01/46/1419570146.db2.gz LIWBTNKUNFDUQW-HOJAQTOUSA-N 2 1 331.504 2.552 10 30 EFEEMP C=CCCC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001717840630 1419570499 /nfs/dbraw/zinc/57/04/99/1419570499.db2.gz LYCGNIJHYLYFLK-PNYFIKQUSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001717840630 1419570501 /nfs/dbraw/zinc/57/05/01/1419570501.db2.gz LYCGNIJHYLYFLK-PNYFIKQUSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CCCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001717840630 1419570503 /nfs/dbraw/zinc/57/05/03/1419570503.db2.gz LYCGNIJHYLYFLK-PNYFIKQUSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC1(C)C ZINC001717904571 1419611804 /nfs/dbraw/zinc/61/18/04/1419611804.db2.gz JQYZKKUONGKIKM-QGZVFWFLSA-N 2 1 332.492 2.765 10 30 EFEEMP C=C(C)C[N@@H+](C)CCN(C(=O)c1cnn(-c2cc[nH+]cc2)c1)C(C)C ZINC001717951682 1419625931 /nfs/dbraw/zinc/62/59/31/1419625931.db2.gz CPVXYOXRXFLXLA-UHFFFAOYSA-N 2 1 341.459 2.626 10 30 EFEEMP C=C(C)C[N@H+](C)CCN(C(=O)c1cnn(-c2cc[nH+]cc2)c1)C(C)C ZINC001717951682 1419625935 /nfs/dbraw/zinc/62/59/35/1419625935.db2.gz CPVXYOXRXFLXLA-UHFFFAOYSA-N 2 1 341.459 2.626 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCCC(C)C)C(C)(C)C ZINC001717959656 1419629989 /nfs/dbraw/zinc/62/99/89/1419629989.db2.gz HESQNODLPCVDNM-ROUUACIJSA-N 2 1 335.536 2.641 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCCC(C)C)C(C)(C)C ZINC001717959656 1419629992 /nfs/dbraw/zinc/62/99/92/1419629992.db2.gz HESQNODLPCVDNM-ROUUACIJSA-N 2 1 335.536 2.641 10 30 EFEEMP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001723100916 1424423423 /nfs/dbraw/zinc/42/34/23/1424423423.db2.gz ITSPUUVZVUYTME-KRWDZBQOSA-N 2 1 341.927 2.974 10 30 EFEEMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001723300738 1424461681 /nfs/dbraw/zinc/46/16/81/1424461681.db2.gz MDJQKIXATKROPS-PKOBYXMFSA-N 2 1 333.520 2.702 10 30 EFEEMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001723300733 1424461775 /nfs/dbraw/zinc/46/17/75/1424461775.db2.gz MDJQKIXATKROPS-HKUYNNGSSA-N 2 1 333.520 2.702 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001723608674 1424532674 /nfs/dbraw/zinc/53/26/74/1424532674.db2.gz RLEYVBVRCSNNBN-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C=CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001723609714 1424535977 /nfs/dbraw/zinc/53/59/77/1424535977.db2.gz WGKJMARVSAJVAF-RBUKOAKNSA-N 2 1 333.520 2.751 10 30 EFEEMP C=C(C)C[NH+](CC1CC1)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001723647343 1424545757 /nfs/dbraw/zinc/54/57/57/1424545757.db2.gz JJRMGXSGICBRLN-UHFFFAOYSA-N 2 1 333.520 2.750 10 30 EFEEMP C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001723647343 1424545762 /nfs/dbraw/zinc/54/57/62/1424545762.db2.gz JJRMGXSGICBRLN-UHFFFAOYSA-N 2 1 333.520 2.750 10 30 EFEEMP C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001723647343 1424545768 /nfs/dbraw/zinc/54/57/68/1424545768.db2.gz JJRMGXSGICBRLN-UHFFFAOYSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001723678229 1424553400 /nfs/dbraw/zinc/55/34/00/1424553400.db2.gz DJMQTHBZPMDDBG-FQEVSTJZSA-N 2 1 347.547 2.999 10 30 EFEEMP CC#CC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)CCCCCC)C2)CC1 ZINC001723699679 1424561909 /nfs/dbraw/zinc/56/19/09/1424561909.db2.gz NLSDWYISJVOAIL-UHFFFAOYSA-N 2 1 347.547 2.836 10 30 EFEEMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@H](c3ccccc3)[N@H+](C)CC)C2)C1 ZINC001723721576 1424567650 /nfs/dbraw/zinc/56/76/50/1424567650.db2.gz NOMCXBODARTBFW-FPOVZHCZSA-N 2 1 341.499 2.790 10 30 EFEEMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)CC)C2)C1 ZINC001723721576 1424567653 /nfs/dbraw/zinc/56/76/53/1424567653.db2.gz NOMCXBODARTBFW-FPOVZHCZSA-N 2 1 341.499 2.790 10 30 EFEEMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)CC)C2)C1 ZINC001723721576 1424567660 /nfs/dbraw/zinc/56/76/60/1424567660.db2.gz NOMCXBODARTBFW-FPOVZHCZSA-N 2 1 341.499 2.790 10 30 EFEEMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H](c3ccccc3)[N@H+](C)CC)C2)C1 ZINC001723721578 1424568050 /nfs/dbraw/zinc/56/80/50/1424568050.db2.gz NOMCXBODARTBFW-TZIWHRDSSA-N 2 1 341.499 2.790 10 30 EFEEMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)CC)C2)C1 ZINC001723721578 1424568052 /nfs/dbraw/zinc/56/80/52/1424568052.db2.gz NOMCXBODARTBFW-TZIWHRDSSA-N 2 1 341.499 2.790 10 30 EFEEMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)CC)C2)C1 ZINC001723721578 1424568056 /nfs/dbraw/zinc/56/80/56/1424568056.db2.gz NOMCXBODARTBFW-TZIWHRDSSA-N 2 1 341.499 2.790 10 30 EFEEMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+](C)Cc3ccccc3)C2)C1 ZINC001723727108 1424571422 /nfs/dbraw/zinc/57/14/22/1424571422.db2.gz ONODHBPCVKHFGQ-NRFANRHFSA-N 2 1 341.499 2.619 10 30 EFEEMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)C[N@H+](C)Cc3ccccc3)C2)C1 ZINC001723727108 1424571426 /nfs/dbraw/zinc/57/14/26/1424571426.db2.gz ONODHBPCVKHFGQ-NRFANRHFSA-N 2 1 341.499 2.619 10 30 EFEEMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)Cc3ccccc3)C2)C1 ZINC001723727108 1424571432 /nfs/dbraw/zinc/57/14/32/1424571432.db2.gz ONODHBPCVKHFGQ-NRFANRHFSA-N 2 1 341.499 2.619 10 30 EFEEMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)Cc3ccccc3)C2)C1 ZINC001723727108 1424571434 /nfs/dbraw/zinc/57/14/34/1424571434.db2.gz ONODHBPCVKHFGQ-NRFANRHFSA-N 2 1 341.499 2.619 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001724285620 1424722682 /nfs/dbraw/zinc/72/26/82/1424722682.db2.gz OKGUOPRMTJWCTK-RCCFBDPRSA-N 2 1 335.536 2.900 10 30 EFEEMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001724325621 1424735521 /nfs/dbraw/zinc/73/55/21/1424735521.db2.gz ZTXMSBNUPAAQKD-CTNGQTDRSA-N 2 1 345.531 2.635 10 30 EFEEMP CC#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001724325621 1424735528 /nfs/dbraw/zinc/73/55/28/1424735528.db2.gz ZTXMSBNUPAAQKD-CTNGQTDRSA-N 2 1 345.531 2.635 10 30 EFEEMP CC#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001724325621 1424735535 /nfs/dbraw/zinc/73/55/35/1424735535.db2.gz ZTXMSBNUPAAQKD-CTNGQTDRSA-N 2 1 345.531 2.635 10 30 EFEEMP C#CCC[NH+]1CCC[C@](C)(CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001724328498 1424735978 /nfs/dbraw/zinc/73/59/78/1424735978.db2.gz ICVFBXKIEBOZFB-OAQYLSRUSA-N 2 1 347.547 2.883 10 30 EFEEMP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001724328498 1424735984 /nfs/dbraw/zinc/73/59/84/1424735984.db2.gz ICVFBXKIEBOZFB-OAQYLSRUSA-N 2 1 347.547 2.883 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001724328498 1424735990 /nfs/dbraw/zinc/73/59/90/1424735990.db2.gz ICVFBXKIEBOZFB-OAQYLSRUSA-N 2 1 347.547 2.883 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC=C(C)C)CC1 ZINC001724609283 1424827580 /nfs/dbraw/zinc/82/75/80/1424827580.db2.gz WPUTXDKYSBQDJS-UFYCRDLUSA-N 2 1 345.531 2.562 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC=C(C)C)CC1 ZINC001724609283 1424827588 /nfs/dbraw/zinc/82/75/88/1424827588.db2.gz WPUTXDKYSBQDJS-UFYCRDLUSA-N 2 1 345.531 2.562 10 30 EFEEMP C=CCCCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001724649183 1424878925 /nfs/dbraw/zinc/87/89/25/1424878925.db2.gz LJYCZKNSCLVLET-GBESFXJTSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001724649183 1424878928 /nfs/dbraw/zinc/87/89/28/1424878928.db2.gz LJYCZKNSCLVLET-GBESFXJTSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001724649183 1424878929 /nfs/dbraw/zinc/87/89/29/1424878929.db2.gz LJYCZKNSCLVLET-GBESFXJTSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCCCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001724649191 1424879671 /nfs/dbraw/zinc/87/96/71/1424879671.db2.gz LJYCZKNSCLVLET-IPMKNSEASA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001724649191 1424879673 /nfs/dbraw/zinc/87/96/73/1424879673.db2.gz LJYCZKNSCLVLET-IPMKNSEASA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001724649191 1424879677 /nfs/dbraw/zinc/87/96/77/1424879677.db2.gz LJYCZKNSCLVLET-IPMKNSEASA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCC[NH+]1CCCC1 ZINC001724653944 1424886075 /nfs/dbraw/zinc/88/60/75/1424886075.db2.gz XADMVNRKYCPSQJ-RBUKOAKNSA-N 2 1 333.520 2.894 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001724654056 1424886828 /nfs/dbraw/zinc/88/68/28/1424886828.db2.gz SDBACVGEEHXAAJ-IPMKNSEASA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CCC ZINC001724654056 1424886839 /nfs/dbraw/zinc/88/68/39/1424886839.db2.gz SDBACVGEEHXAAJ-IPMKNSEASA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CCC ZINC001724654056 1424886849 /nfs/dbraw/zinc/88/68/49/1424886849.db2.gz SDBACVGEEHXAAJ-IPMKNSEASA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001724654805 1424888791 /nfs/dbraw/zinc/88/87/91/1424888791.db2.gz JVJTUWJLVHVEAU-MSOLQXFVSA-N 2 1 333.520 2.892 10 30 EFEEMP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001724655821 1424891251 /nfs/dbraw/zinc/89/12/51/1424891251.db2.gz MSJOXJNJIPRZEP-OALUTQOASA-N 2 1 345.531 2.587 10 30 EFEEMP 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RMGWTYCZVMDBJJ-QUCCMNQESA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001724900811 1425119766 /nfs/dbraw/zinc/11/97/66/1425119766.db2.gz RMGWTYCZVMDBJJ-QUCCMNQESA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001724900811 1425119778 /nfs/dbraw/zinc/11/97/78/1425119778.db2.gz RMGWTYCZVMDBJJ-QUCCMNQESA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cnc2C)C[C@H]1C ZINC001724997967 1425208959 /nfs/dbraw/zinc/20/89/59/1425208959.db2.gz BLDACGAKVDQZBL-NVXWUHKLSA-N 2 1 332.492 2.976 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001725055705 1425266406 /nfs/dbraw/zinc/26/64/06/1425266406.db2.gz BZXYXMIWBIBZNY-OALUTQOASA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001725137699 1425327386 /nfs/dbraw/zinc/32/73/86/1425327386.db2.gz IOZAFHSJNJDVLL-AOCRQIFASA-N 2 1 344.503 2.689 10 30 EFEEMP C=CC[NH2+][C@@H](CCN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001725213030 1425382276 /nfs/dbraw/zinc/38/22/76/1425382276.db2.gz IHMBCNVHUQOWKF-LPHOPBHVSA-N 2 1 341.515 2.848 10 30 EFEEMP C#CCC[NH2+]CC1(NC(=O)C[C@H](C)n2cc[nH+]c2CC)CCCCC1 ZINC001725222401 1425389801 /nfs/dbraw/zinc/38/98/01/1425389801.db2.gz IETDCXSUXYTRBC-KRWDZBQOSA-N 2 1 344.503 2.829 10 30 EFEEMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001725236395 1425401087 /nfs/dbraw/zinc/40/10/87/1425401087.db2.gz JIEWLTRBMLMFIY-GOSISDBHSA-N 2 1 333.520 2.635 10 30 EFEEMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001725238025 1425403299 /nfs/dbraw/zinc/40/32/99/1425403299.db2.gz SLFSYOVUWIPRIH-MSOLQXFVSA-N 2 1 344.503 2.781 10 30 EFEEMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001725238025 1425403301 /nfs/dbraw/zinc/40/33/01/1425403301.db2.gz SLFSYOVUWIPRIH-MSOLQXFVSA-N 2 1 344.503 2.781 10 30 EFEEMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001725238027 1425403336 /nfs/dbraw/zinc/40/33/36/1425403336.db2.gz SLFSYOVUWIPRIH-QZTJIDSGSA-N 2 1 344.503 2.781 10 30 EFEEMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001725238027 1425403337 /nfs/dbraw/zinc/40/33/37/1425403337.db2.gz SLFSYOVUWIPRIH-QZTJIDSGSA-N 2 1 344.503 2.781 10 30 EFEEMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC001725290796 1425445604 /nfs/dbraw/zinc/44/56/04/1425445604.db2.gz HHQOKUPTXKZUHO-QGZVFWFLSA-N 2 1 332.492 2.765 10 30 EFEEMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC001725290796 1425445606 /nfs/dbraw/zinc/44/56/06/1425445606.db2.gz HHQOKUPTXKZUHO-QGZVFWFLSA-N 2 1 332.492 2.765 10 30 EFEEMP C=CCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001725344403 1425493331 /nfs/dbraw/zinc/49/33/31/1425493331.db2.gz GQOSEQTZOJRJDW-RTBURBONSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC001725345546 1425494472 /nfs/dbraw/zinc/49/44/72/1425494472.db2.gz JLEAQGOHMZWMFE-OYRHEFFESA-N 2 1 347.547 2.997 10 30 EFEEMP CC(C)N(CC[N@H+](C)CC#Cc1ccccc1)C(=O)C[NH+](C)C(C)C ZINC001725733131 1425802412 /nfs/dbraw/zinc/80/24/12/1425802412.db2.gz PAVGYQRVSXYLCK-UHFFFAOYSA-N 2 1 343.515 2.547 10 30 EFEEMP CC(C)N(CC[N@@H+](C)CC#Cc1ccccc1)C(=O)C[NH+](C)C(C)C ZINC001725733131 1425802414 /nfs/dbraw/zinc/80/24/14/1425802414.db2.gz PAVGYQRVSXYLCK-UHFFFAOYSA-N 2 1 343.515 2.547 10 30 EFEEMP CC(C)N(CC[NH+](C)CC#Cc1ccccc1)C(=O)C[N@H+](C)C(C)C ZINC001725733131 1425802416 /nfs/dbraw/zinc/80/24/16/1425802416.db2.gz PAVGYQRVSXYLCK-UHFFFAOYSA-N 2 1 343.515 2.547 10 30 EFEEMP CC(C)N(CC[NH+](C)CC#Cc1ccccc1)C(=O)C[N@@H+](C)C(C)C ZINC001725733131 1425802417 /nfs/dbraw/zinc/80/24/17/1425802417.db2.gz PAVGYQRVSXYLCK-UHFFFAOYSA-N 2 1 343.515 2.547 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCC([C@H](C)NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001725767844 1425834195 /nfs/dbraw/zinc/83/41/95/1425834195.db2.gz UVHQDWZSIASNHH-RDJZCZTQSA-N 2 1 332.492 2.763 10 30 EFEEMP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001725770928 1425837898 /nfs/dbraw/zinc/83/78/98/1425837898.db2.gz IHYBYGLDTAHKFF-QFBILLFUSA-N 2 1 329.488 2.692 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001725817906 1425876730 /nfs/dbraw/zinc/87/67/30/1425876730.db2.gz YZHVJSNFZAIEJQ-PKOBYXMFSA-N 2 1 333.520 2.964 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001725817906 1425876742 /nfs/dbraw/zinc/87/67/42/1425876742.db2.gz YZHVJSNFZAIEJQ-PKOBYXMFSA-N 2 1 333.520 2.964 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001725817906 1425876752 /nfs/dbraw/zinc/87/67/52/1425876752.db2.gz YZHVJSNFZAIEJQ-PKOBYXMFSA-N 2 1 333.520 2.964 10 30 EFEEMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000066243168 718160373 /nfs/dbraw/zinc/16/03/73/718160373.db2.gz GVUOSSMEEBLEMJ-APWZRJJASA-N 2 1 344.503 2.502 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000907379545 726931921 /nfs/dbraw/zinc/93/19/21/726931921.db2.gz VFNHSMMYUJWRKQ-IBGZPJMESA-N 2 1 329.488 2.617 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000908128749 727106350 /nfs/dbraw/zinc/10/63/50/727106350.db2.gz IXZVETBKRJMAJD-SFHVURJKSA-N 2 1 341.455 2.735 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000908936681 727288492 /nfs/dbraw/zinc/28/84/92/727288492.db2.gz OIRGKTUMBKAABL-UHFFFAOYSA-N 2 1 329.488 2.665 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000913098129 727781040 /nfs/dbraw/zinc/78/10/40/727781040.db2.gz YTCUYVZETUKQPF-APWZRJJASA-N 2 1 329.488 2.521 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000941137709 727862341 /nfs/dbraw/zinc/86/23/41/727862341.db2.gz CVQIZSLVMDYHHT-SFHVURJKSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000941137904 727862647 /nfs/dbraw/zinc/86/26/47/727862647.db2.gz GMMHFHLJUAQTRG-GOSISDBHSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000941137905 727862887 /nfs/dbraw/zinc/86/28/87/727862887.db2.gz GMMHFHLJUAQTRG-SFHVURJKSA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C(C)(C)C1 ZINC000941236985 727925827 /nfs/dbraw/zinc/92/58/27/727925827.db2.gz FBFFIIMZEFYMRO-CVEARBPZSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC000941236985 727925829 /nfs/dbraw/zinc/92/58/29/727925829.db2.gz FBFFIIMZEFYMRO-CVEARBPZSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941236985 727925831 /nfs/dbraw/zinc/92/58/31/727925831.db2.gz FBFFIIMZEFYMRO-CVEARBPZSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941236985 727925832 /nfs/dbraw/zinc/92/58/32/727925832.db2.gz FBFFIIMZEFYMRO-CVEARBPZSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940745807 728220192 /nfs/dbraw/zinc/22/01/92/728220192.db2.gz VHPQRTDAIIHCLF-ROUUACIJSA-N 2 1 333.520 2.511 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000940736207 728224145 /nfs/dbraw/zinc/22/41/45/728224145.db2.gz BXQACTREMQZSOK-HZPDHXFCSA-N 2 1 341.927 2.828 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000940736207 728224149 /nfs/dbraw/zinc/22/41/49/728224149.db2.gz BXQACTREMQZSOK-HZPDHXFCSA-N 2 1 341.927 2.828 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940736207 728224152 /nfs/dbraw/zinc/22/41/52/728224152.db2.gz BXQACTREMQZSOK-HZPDHXFCSA-N 2 1 341.927 2.828 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940736207 728224155 /nfs/dbraw/zinc/22/41/55/728224155.db2.gz BXQACTREMQZSOK-HZPDHXFCSA-N 2 1 341.927 2.828 10 30 EFEEMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000941033996 728376233 /nfs/dbraw/zinc/37/62/33/728376233.db2.gz ZHEGTYNVWINYCQ-AEFFLSMTSA-N 2 1 344.503 2.547 10 30 EFEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000941033996 728376237 /nfs/dbraw/zinc/37/62/37/728376237.db2.gz ZHEGTYNVWINYCQ-AEFFLSMTSA-N 2 1 344.503 2.547 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001569357792 1085138325 /nfs/dbraw/zinc/13/83/25/1085138325.db2.gz QHTQNIAZZAPTEA-HKUYNNGSSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001569357792 1085138330 /nfs/dbraw/zinc/13/83/30/1085138330.db2.gz QHTQNIAZZAPTEA-HKUYNNGSSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001569357792 1085138333 /nfs/dbraw/zinc/13/83/33/1085138333.db2.gz QHTQNIAZZAPTEA-HKUYNNGSSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001569437121 1085214585 /nfs/dbraw/zinc/21/45/85/1085214585.db2.gz PRDGZKALEFWOPF-ICSRJNTNSA-N 2 1 347.547 2.997 10 30 EFEEMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCC[NH+](CCC)CCC)C2)C1 ZINC001569466762 1085260838 /nfs/dbraw/zinc/26/08/38/1085260838.db2.gz DYMJLUUDCZVJJQ-OAQYLSRUSA-N 2 1 347.547 2.836 10 30 EFEEMP C=CCCCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001569470979 1085268602 /nfs/dbraw/zinc/26/86/02/1085268602.db2.gz OLUGGEMXXKBPLY-LJQANCHMSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001569567601 1085384385 /nfs/dbraw/zinc/38/43/85/1085384385.db2.gz ZKMLJSDGGCTEPP-RTBURBONSA-N 2 1 329.488 2.836 10 30 EFEEMP C#CCN(C(=O)CC[C@H]1CCC[N@H+]1C)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001569589386 1085412401 /nfs/dbraw/zinc/41/24/01/1085412401.db2.gz KSJNFIDMNLLLJN-RTBURBONSA-N 2 1 347.547 2.833 10 30 EFEEMP C#CCN(C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)C1CC[NH+](CC(C)C)CC1 ZINC001569593898 1085416816 /nfs/dbraw/zinc/41/68/16/1085416816.db2.gz OYCOUXNKDOQXBP-ICSRJNTNSA-N 2 1 345.531 2.586 10 30 EFEEMP C#CCN(C(=O)CC[N@H+](C)CC)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001569595575 1085419888 /nfs/dbraw/zinc/41/98/88/1085419888.db2.gz TXRSREGLTZOLRA-UHFFFAOYSA-N 2 1 345.531 2.755 10 30 EFEEMP C=CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001569623224 1085450250 /nfs/dbraw/zinc/45/02/50/1085450250.db2.gz WMTJBEVUSGWXSR-FQEVSTJZSA-N 2 1 344.503 2.862 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001569623224 1085450254 /nfs/dbraw/zinc/45/02/54/1085450254.db2.gz WMTJBEVUSGWXSR-FQEVSTJZSA-N 2 1 344.503 2.862 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001569623225 1085450349 /nfs/dbraw/zinc/45/03/49/1085450349.db2.gz WMTJBEVUSGWXSR-HXUWFJFHSA-N 2 1 344.503 2.862 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001569623225 1085450353 /nfs/dbraw/zinc/45/03/53/1085450353.db2.gz WMTJBEVUSGWXSR-HXUWFJFHSA-N 2 1 344.503 2.862 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@](C)(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001569655848 1085490416 /nfs/dbraw/zinc/49/04/16/1085490416.db2.gz XTDDLMHINQZHPN-FQEVSTJZSA-N 2 1 329.488 2.909 10 30 EFEEMP C#CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001569716408 1085552159 /nfs/dbraw/zinc/55/21/59/1085552159.db2.gz XDVVWEGRPNEXKR-FPOVZHCZSA-N 2 1 345.531 2.635 10 30 EFEEMP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001569716408 1085552162 /nfs/dbraw/zinc/55/21/62/1085552162.db2.gz XDVVWEGRPNEXKR-FPOVZHCZSA-N 2 1 345.531 2.635 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001569716408 1085552168 /nfs/dbraw/zinc/55/21/68/1085552168.db2.gz XDVVWEGRPNEXKR-FPOVZHCZSA-N 2 1 345.531 2.635 10 30 EFEEMP C=CCC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001569843634 1085666104 /nfs/dbraw/zinc/66/61/04/1085666104.db2.gz SIFOEKLCQULHBH-MSOLQXFVSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2C1 ZINC001569877396 1085709673 /nfs/dbraw/zinc/70/96/73/1085709673.db2.gz LHVOVVFKLCSEEA-OTWHNJEPSA-N 2 1 335.536 2.709 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCC(C)C ZINC001569910809 1085750690 /nfs/dbraw/zinc/75/06/90/1085750690.db2.gz WPPJKSGTPDMSLB-AABGKKOBSA-N 2 1 345.531 2.586 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCC(C)C ZINC001569910809 1085750696 /nfs/dbraw/zinc/75/06/96/1085750696.db2.gz WPPJKSGTPDMSLB-AABGKKOBSA-N 2 1 345.531 2.586 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC(C)C ZINC001569910809 1085750701 /nfs/dbraw/zinc/75/07/01/1085750701.db2.gz WPPJKSGTPDMSLB-AABGKKOBSA-N 2 1 345.531 2.586 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC(C)C ZINC001569910809 1085750708 /nfs/dbraw/zinc/75/07/08/1085750708.db2.gz WPPJKSGTPDMSLB-AABGKKOBSA-N 2 1 345.531 2.586 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001569919031 1085767963 /nfs/dbraw/zinc/76/79/63/1085767963.db2.gz COPAGBUBECKQMH-ZIFCJYIRSA-N 2 1 333.520 2.748 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001569919031 1085767965 /nfs/dbraw/zinc/76/79/65/1085767965.db2.gz COPAGBUBECKQMH-ZIFCJYIRSA-N 2 1 333.520 2.748 10 30 EFEEMP C=CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001570026834 1085876533 /nfs/dbraw/zinc/87/65/33/1085876533.db2.gz LLILUVJXFJLHCC-UXHICEINSA-N 2 1 341.499 2.938 10 30 EFEEMP C=CC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001570026834 1085876545 /nfs/dbraw/zinc/87/65/45/1085876545.db2.gz LLILUVJXFJLHCC-UXHICEINSA-N 2 1 341.499 2.938 10 30 EFEEMP C=CC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001570026834 1085876556 /nfs/dbraw/zinc/87/65/56/1085876556.db2.gz LLILUVJXFJLHCC-UXHICEINSA-N 2 1 341.499 2.938 10 30 EFEEMP C=CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001570026833 1085876759 /nfs/dbraw/zinc/87/67/59/1085876759.db2.gz LLILUVJXFJLHCC-PMACEKPBSA-N 2 1 341.499 2.938 10 30 EFEEMP C=CC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001570026833 1085876764 /nfs/dbraw/zinc/87/67/64/1085876764.db2.gz LLILUVJXFJLHCC-PMACEKPBSA-N 2 1 341.499 2.938 10 30 EFEEMP C=CC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001570026833 1085876769 /nfs/dbraw/zinc/87/67/69/1085876769.db2.gz LLILUVJXFJLHCC-PMACEKPBSA-N 2 1 341.499 2.938 10 30 EFEEMP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001570031450 1085883888 /nfs/dbraw/zinc/88/38/88/1085883888.db2.gz PJEASIYADXZDLP-PXNSSMCTSA-N 2 1 341.499 2.850 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001570043407 1085897134 /nfs/dbraw/zinc/89/71/34/1085897134.db2.gz QXHFGZZTPIFWGD-FHWLQOOXSA-N 2 1 335.536 2.949 10 30 EFEEMP CCCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001570050451 1085904547 /nfs/dbraw/zinc/90/45/47/1085904547.db2.gz BBHUTBRNBMHESP-GOSISDBHSA-N 2 1 335.536 2.975 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCCCCC)CC2 ZINC001570053404 1085906194 /nfs/dbraw/zinc/90/61/94/1085906194.db2.gz DQDXOIIDRIAIHW-IBGZPJMESA-N 2 1 345.531 2.589 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCCCCC)CC2 ZINC001570053404 1085906203 /nfs/dbraw/zinc/90/62/03/1085906203.db2.gz DQDXOIIDRIAIHW-IBGZPJMESA-N 2 1 345.531 2.589 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001570179734 1086022706 /nfs/dbraw/zinc/02/27/06/1086022706.db2.gz UVHQRLQHMCWLML-SFHVURJKSA-N 2 1 333.520 2.799 10 30 EFEEMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001570188040 1086034863 /nfs/dbraw/zinc/03/48/63/1086034863.db2.gz SUVLDPZZMHDYQH-RBUKOAKNSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001570188040 1086034875 /nfs/dbraw/zinc/03/48/75/1086034875.db2.gz SUVLDPZZMHDYQH-RBUKOAKNSA-N 2 1 329.488 2.836 10 30 EFEEMP C#CCC[N@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001570206056 1086050813 /nfs/dbraw/zinc/05/08/13/1086050813.db2.gz GWKUCORCQWKNJK-LJQANCHMSA-N 2 1 333.520 2.587 10 30 EFEEMP C#CCC[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001570206056 1086050819 /nfs/dbraw/zinc/05/08/19/1086050819.db2.gz GWKUCORCQWKNJK-LJQANCHMSA-N 2 1 333.520 2.587 10 30 EFEEMP C#CCC[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001570206056 1086050826 /nfs/dbraw/zinc/05/08/26/1086050826.db2.gz GWKUCORCQWKNJK-LJQANCHMSA-N 2 1 333.520 2.587 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001570219805 1086060338 /nfs/dbraw/zinc/06/03/38/1086060338.db2.gz HNPHYHAUAOKDCU-MOPGFXCFSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001570219806 1086060484 /nfs/dbraw/zinc/06/04/84/1086060484.db2.gz HNPHYHAUAOKDCU-OALUTQOASA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)C1 ZINC001570220921 1086062368 /nfs/dbraw/zinc/06/23/68/1086062368.db2.gz YETZARFGXYBJTH-RTBURBONSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001570220921 1086062376 /nfs/dbraw/zinc/06/23/76/1086062376.db2.gz YETZARFGXYBJTH-RTBURBONSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001570220921 1086062387 /nfs/dbraw/zinc/06/23/87/1086062387.db2.gz YETZARFGXYBJTH-RTBURBONSA-N 2 1 335.536 2.996 10 30 EFEEMP C#CC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001570220450 1086062721 /nfs/dbraw/zinc/06/27/21/1086062721.db2.gz RVVZAKSCMVDOEP-MOPGFXCFSA-N 2 1 347.547 2.548 10 30 EFEEMP C#CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001570220450 1086062730 /nfs/dbraw/zinc/06/27/30/1086062730.db2.gz RVVZAKSCMVDOEP-MOPGFXCFSA-N 2 1 347.547 2.548 10 30 EFEEMP C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001570220450 1086062738 /nfs/dbraw/zinc/06/27/38/1086062738.db2.gz RVVZAKSCMVDOEP-MOPGFXCFSA-N 2 1 347.547 2.548 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001570220872 1086062760 /nfs/dbraw/zinc/06/27/60/1086062760.db2.gz XWCTWEDVFOOFKM-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001570271716 1086109255 /nfs/dbraw/zinc/10/92/55/1086109255.db2.gz MTVJVYJTXUNCNN-UXHICEINSA-N 2 1 343.515 2.692 10 30 EFEEMP C=C(C)C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001570271716 1086109260 /nfs/dbraw/zinc/10/92/60/1086109260.db2.gz MTVJVYJTXUNCNN-UXHICEINSA-N 2 1 343.515 2.692 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C(C)(C)C1 ZINC001570393268 1086193177 /nfs/dbraw/zinc/19/31/77/1086193177.db2.gz FXQIXHWMXVDWNP-DLBZAZTESA-N 2 1 341.515 2.849 10 30 EFEEMP C=C(C)C[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001570501526 1086290258 /nfs/dbraw/zinc/29/02/58/1086290258.db2.gz POHWMTADKLDALW-RBUKOAKNSA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001570501526 1086290267 /nfs/dbraw/zinc/29/02/67/1086290267.db2.gz POHWMTADKLDALW-RBUKOAKNSA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)C[N@H+](CC)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001570501526 1086290273 /nfs/dbraw/zinc/29/02/73/1086290273.db2.gz POHWMTADKLDALW-RBUKOAKNSA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001570521634 1086307861 /nfs/dbraw/zinc/30/78/61/1086307861.db2.gz ADBUSDZEHOBSGQ-IEBWSBKVSA-N 2 1 349.906 2.843 10 30 EFEEMP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001570537178 1086329494 /nfs/dbraw/zinc/32/94/94/1086329494.db2.gz YVSQZKWVEPAASB-SFHVURJKSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001570550909 1086351307 /nfs/dbraw/zinc/35/13/07/1086351307.db2.gz GZNZMJPBFXYUHU-RBUKOAKNSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001570550909 1086351318 /nfs/dbraw/zinc/35/13/18/1086351318.db2.gz GZNZMJPBFXYUHU-RBUKOAKNSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001570550909 1086351330 /nfs/dbraw/zinc/35/13/30/1086351330.db2.gz GZNZMJPBFXYUHU-RBUKOAKNSA-N 2 1 335.536 2.855 10 30 EFEEMP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC2)C1 ZINC001570553057 1086358691 /nfs/dbraw/zinc/35/86/91/1086358691.db2.gz BQRNBCKHSPAGCA-IBGZPJMESA-N 2 1 347.547 2.548 10 30 EFEEMP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)CC(C)(C)C)CC2)C1 ZINC001570553057 1086358702 /nfs/dbraw/zinc/35/87/02/1086358702.db2.gz BQRNBCKHSPAGCA-IBGZPJMESA-N 2 1 347.547 2.548 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)CC(C)(C)C)CC2)C1 ZINC001570553057 1086358708 /nfs/dbraw/zinc/35/87/08/1086358708.db2.gz BQRNBCKHSPAGCA-IBGZPJMESA-N 2 1 347.547 2.548 10 30 EFEEMP C=CCCC[NH2+]CC1CC(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001570572184 1086374225 /nfs/dbraw/zinc/37/42/25/1086374225.db2.gz VZDMUVGNWILHOF-RJYAGPCLSA-N 2 1 339.499 2.650 10 30 EFEEMP C=C(C)CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001570680825 1086457847 /nfs/dbraw/zinc/45/78/47/1086457847.db2.gz LHYQSFDEHMMMCJ-KRWDZBQOSA-N 2 1 346.519 2.794 10 30 EFEEMP C#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001570812346 1086534341 /nfs/dbraw/zinc/53/43/41/1086534341.db2.gz PUOHCNHPYMMTRM-MJGOQNOKSA-N 2 1 333.520 2.681 10 30 EFEEMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001570859770 1086574166 /nfs/dbraw/zinc/57/41/66/1086574166.db2.gz FEZWUOLIZSNGNX-VQIMIIECSA-N 2 1 329.488 2.692 10 30 EFEEMP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001570966060 1086625750 /nfs/dbraw/zinc/62/57/50/1086625750.db2.gz RTXDRZYLWABNFB-OWZKRDHZSA-N 2 1 341.499 2.622 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001571147773 1086670505 /nfs/dbraw/zinc/67/05/05/1086670505.db2.gz DLJBPMRAUPRDPI-ZHALLVOQSA-N 2 1 333.520 2.844 10 30 EFEEMP C=CCC[N@H+](C)C1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001571332550 1086730667 /nfs/dbraw/zinc/73/06/67/1086730667.db2.gz JYXQGHDLTWOCIX-UHFFFAOYSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[NH2+][C@H](CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001571351349 1086749000 /nfs/dbraw/zinc/74/90/00/1086749000.db2.gz QLKLPXPODPKVJL-IEBWSBKVSA-N 2 1 346.519 2.841 10 30 EFEEMP CC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001571537403 1086944539 /nfs/dbraw/zinc/94/45/39/1086944539.db2.gz BFUIRWXENZLFFC-SJORKVTESA-N 2 1 333.520 2.537 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001571687150 1087049131 /nfs/dbraw/zinc/04/91/31/1087049131.db2.gz VAGGWJDMUWOPJG-HKUYNNGSSA-N 2 1 333.520 2.962 10 30 EFEEMP 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ZINC001649436666 1092460921 /nfs/dbraw/zinc/46/09/21/1092460921.db2.gz HODIOMKBAKAYCJ-QUCCMNQESA-N 2 1 341.499 2.673 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)[C@H](C)c1ccccc1 ZINC001649436666 1092460923 /nfs/dbraw/zinc/46/09/23/1092460923.db2.gz HODIOMKBAKAYCJ-QUCCMNQESA-N 2 1 341.499 2.673 10 30 EFEEMP C=CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001649459334 1092491709 /nfs/dbraw/zinc/49/17/09/1092491709.db2.gz MRHQWLFEMIWHED-GOSISDBHSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001649462525 1092498164 /nfs/dbraw/zinc/49/81/64/1092498164.db2.gz KDFHSVPPXYFHED-OALUTQOASA-N 2 1 347.547 2.855 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001649462527 1092498244 /nfs/dbraw/zinc/49/82/44/1092498244.db2.gz KDFHSVPPXYFHED-RBUKOAKNSA-N 2 1 347.547 2.855 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001267071897 1092543362 /nfs/dbraw/zinc/54/33/62/1092543362.db2.gz YRDVRKHAZBMFNA-HKUYNNGSSA-N 2 1 329.488 2.694 10 30 EFEEMP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001267107292 1092749752 /nfs/dbraw/zinc/74/97/52/1092749752.db2.gz BTSXFSWGGDENAS-IBGZPJMESA-N 2 1 333.520 2.587 10 30 EFEEMP CC#CC[NH+](C)[C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001267107292 1092749755 /nfs/dbraw/zinc/74/97/55/1092749755.db2.gz BTSXFSWGGDENAS-IBGZPJMESA-N 2 1 333.520 2.587 10 30 EFEEMP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001267110818 1092773737 /nfs/dbraw/zinc/77/37/37/1092773737.db2.gz IXTATDCUAJBOJB-MJGOQNOKSA-N 2 1 344.503 2.643 10 30 EFEEMP C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001267110818 1092773745 /nfs/dbraw/zinc/77/37/45/1092773745.db2.gz IXTATDCUAJBOJB-MJGOQNOKSA-N 2 1 344.503 2.643 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCc2cncn2C1 ZINC001267170091 1093046154 /nfs/dbraw/zinc/04/61/54/1093046154.db2.gz DKCVTTSZGZUGPE-QZTJIDSGSA-N 2 1 344.503 2.773 10 30 EFEEMP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001267200344 1093173657 /nfs/dbraw/zinc/17/36/57/1093173657.db2.gz BTQHMVUXQQZIFN-KXBFYZLASA-N 2 1 339.499 2.602 10 30 EFEEMP C=CCC[C@@H](C)[NH2+][C@H](C)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001267222682 1093255189 /nfs/dbraw/zinc/25/51/89/1093255189.db2.gz PVUFSDLLRMZWLJ-HZPDHXFCSA-N 2 1 332.492 2.763 10 30 EFEEMP CC#CC[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)C(C)C ZINC001267257379 1093388469 /nfs/dbraw/zinc/38/84/69/1093388469.db2.gz KQTFRCWBHMVEEI-IBGZPJMESA-N 2 1 347.547 2.881 10 30 EFEEMP CC#CC[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001267257379 1093388475 /nfs/dbraw/zinc/38/84/75/1093388475.db2.gz KQTFRCWBHMVEEI-IBGZPJMESA-N 2 1 347.547 2.881 10 30 EFEEMP CC#CC[NH+](CCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC001267257379 1093388478 /nfs/dbraw/zinc/38/84/78/1093388478.db2.gz KQTFRCWBHMVEEI-IBGZPJMESA-N 2 1 347.547 2.881 10 30 EFEEMP C#CCC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C)c1ccc(C(C)C)cc1 ZINC001267346124 1093634857 /nfs/dbraw/zinc/63/48/57/1093634857.db2.gz LJOOZUJMXZIAEE-WOJBJXKFSA-N 2 1 341.499 2.674 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](C)CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001267604622 1094449968 /nfs/dbraw/zinc/44/99/68/1094449968.db2.gz YINIGUBSCCADKD-QGZVFWFLSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCC[NH+]1CC[C@H](CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001481111640 1094606595 /nfs/dbraw/zinc/60/65/95/1094606595.db2.gz IZNYMYBZYBBJSL-VQIMIIECSA-N 2 1 339.499 2.603 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001481111640 1094606604 /nfs/dbraw/zinc/60/66/04/1094606604.db2.gz IZNYMYBZYBBJSL-VQIMIIECSA-N 2 1 339.499 2.603 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001481111640 1094606616 /nfs/dbraw/zinc/60/66/16/1094606616.db2.gz IZNYMYBZYBBJSL-VQIMIIECSA-N 2 1 339.499 2.603 10 30 EFEEMP C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H](CC(C)C)n2ccnc2)C1 ZINC001267466042 1094673053 /nfs/dbraw/zinc/67/30/53/1094673053.db2.gz LNYHMAXNLDWBCH-MSOLQXFVSA-N 2 1 332.492 2.969 10 30 EFEEMP C=CCN1CC[C@@H](N(CCC)C(=O)[C@H](CC(C)C)n2ccnc2)C1 ZINC001267466042 1094673058 /nfs/dbraw/zinc/67/30/58/1094673058.db2.gz LNYHMAXNLDWBCH-MSOLQXFVSA-N 2 1 332.492 2.969 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001481125614 1094849182 /nfs/dbraw/zinc/84/91/82/1094849182.db2.gz DPMNPASSZVDQFX-MOPGFXCFSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001481496878 1094937354 /nfs/dbraw/zinc/93/73/54/1094937354.db2.gz URQUQHOZWFPOIB-QZTJIDSGSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001481498202 1094947029 /nfs/dbraw/zinc/94/70/29/1094947029.db2.gz OPTYQYMCVYPXMY-LJQANCHMSA-N 2 1 343.515 2.761 10 30 EFEEMP C=CCC[N@H+](C)CC1CCN(C(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC001481515920 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CC#CC[N@@H+](C)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001653194792 1101595172 /nfs/dbraw/zinc/59/51/72/1101595172.db2.gz OWUWGFYWKWKDLA-UHFFFAOYSA-N 2 1 329.444 2.804 10 30 EFEEMP CCCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001266342839 1101613542 /nfs/dbraw/zinc/61/35/42/1101613542.db2.gz UREMDLZKJBMHBQ-MSOLQXFVSA-N 2 1 346.519 2.915 10 30 EFEEMP CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001266342839 1101613549 /nfs/dbraw/zinc/61/35/49/1101613549.db2.gz UREMDLZKJBMHBQ-MSOLQXFVSA-N 2 1 346.519 2.915 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC/C=C\CC ZINC001266650171 1101662565 /nfs/dbraw/zinc/66/25/65/1101662565.db2.gz KDCPPKSEMMWVOF-VJAZFAGPSA-N 2 1 343.515 2.552 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC/C=C\CC ZINC001266650171 1101662570 /nfs/dbraw/zinc/66/25/70/1101662570.db2.gz KDCPPKSEMMWVOF-VJAZFAGPSA-N 2 1 343.515 2.552 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC/C=C\CC ZINC001266650171 1101662579 /nfs/dbraw/zinc/66/25/79/1101662579.db2.gz KDCPPKSEMMWVOF-VJAZFAGPSA-N 2 1 343.515 2.552 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC/C=C\CC ZINC001266650171 1101662585 /nfs/dbraw/zinc/66/25/85/1101662585.db2.gz KDCPPKSEMMWVOF-VJAZFAGPSA-N 2 1 343.515 2.552 10 30 EFEEMP C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001271439587 1101705084 /nfs/dbraw/zinc/70/50/84/1101705084.db2.gz SWARADFNEJKXNL-LJQANCHMSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001266371161 1101763426 /nfs/dbraw/zinc/76/34/26/1101763426.db2.gz TUZBTWZHLUVMTI-ZWKOTPCHSA-N 2 1 333.520 2.796 10 30 EFEEMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001266412496 1101936762 /nfs/dbraw/zinc/93/67/62/1101936762.db2.gz UUOIASQUZLKYRT-RTBURBONSA-N 2 1 333.520 2.844 10 30 EFEEMP 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C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001656598118 1102131900 /nfs/dbraw/zinc/13/19/00/1102131900.db2.gz JTNNTJAXNPDZMM-QUCCMNQESA-N 2 1 343.515 2.911 10 30 EFEEMP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001656598118 1102131907 /nfs/dbraw/zinc/13/19/07/1102131907.db2.gz JTNNTJAXNPDZMM-QUCCMNQESA-N 2 1 343.515 2.911 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1c[nH+]cc1C ZINC001656650642 1102150245 /nfs/dbraw/zinc/15/02/45/1102150245.db2.gz IPARZGGNFJHWBY-NZSAHSFTSA-N 2 1 344.503 2.763 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1c[nH+]cc1C ZINC001656650642 1102150248 /nfs/dbraw/zinc/15/02/48/1102150248.db2.gz IPARZGGNFJHWBY-NZSAHSFTSA-N 2 1 344.503 2.763 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CC/C=C\CC)C1 ZINC001266459610 1102166536 /nfs/dbraw/zinc/16/65/36/1102166536.db2.gz RIRVGZZFOIXRJY-GLCUZYPYSA-N 2 1 345.531 2.611 10 30 EFEEMP 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EFEEMP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)c1sccc1C[NH+](C)C ZINC001663067835 1103958203 /nfs/dbraw/zinc/95/82/03/1103958203.db2.gz YKBVZUNFXKYZQX-KRWDZBQOSA-N 2 1 347.528 2.807 10 30 EFEEMP C=CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001272034313 1104079266 /nfs/dbraw/zinc/07/92/66/1104079266.db2.gz NTBWPMDXGGLDHL-OALUTQOASA-N 2 1 333.520 2.892 10 30 EFEEMP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001272034313 1104079276 /nfs/dbraw/zinc/07/92/76/1104079276.db2.gz NTBWPMDXGGLDHL-OALUTQOASA-N 2 1 333.520 2.892 10 30 EFEEMP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001272034313 1104079286 /nfs/dbraw/zinc/07/92/86/1104079286.db2.gz NTBWPMDXGGLDHL-OALUTQOASA-N 2 1 333.520 2.892 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC1CCCCCC1)C1CC1 ZINC001663730090 1104202705 /nfs/dbraw/zinc/20/27/05/1104202705.db2.gz DKWFRTQSTCEYJI-FQEVSTJZSA-N 2 1 345.531 2.635 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC1CCCCCC1)C1CC1 ZINC001663730090 1104202717 /nfs/dbraw/zinc/20/27/17/1104202717.db2.gz DKWFRTQSTCEYJI-FQEVSTJZSA-N 2 1 345.531 2.635 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC1CCCCCC1)C1CC1 ZINC001663730090 1104202724 /nfs/dbraw/zinc/20/27/24/1104202724.db2.gz DKWFRTQSTCEYJI-FQEVSTJZSA-N 2 1 345.531 2.635 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC1CCCCCC1)C1CC1 ZINC001663730090 1104202731 /nfs/dbraw/zinc/20/27/31/1104202731.db2.gz DKWFRTQSTCEYJI-FQEVSTJZSA-N 2 1 345.531 2.635 10 30 EFEEMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+](C)CCCCCC ZINC001272044763 1104278953 /nfs/dbraw/zinc/27/89/53/1104278953.db2.gz SDRNBSQMSVBMPG-RTBURBONSA-N 2 1 333.520 2.587 10 30 EFEEMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)CCCCCC ZINC001272044763 1104278959 /nfs/dbraw/zinc/27/89/59/1104278959.db2.gz SDRNBSQMSVBMPG-RTBURBONSA-N 2 1 333.520 2.587 10 30 EFEEMP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)CCCCCC ZINC001272044763 1104278963 /nfs/dbraw/zinc/27/89/63/1104278963.db2.gz SDRNBSQMSVBMPG-RTBURBONSA-N 2 1 333.520 2.587 10 30 EFEEMP CC#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)CCCCCC ZINC001272044759 1104279407 /nfs/dbraw/zinc/27/94/07/1104279407.db2.gz SDRNBSQMSVBMPG-OALUTQOASA-N 2 1 333.520 2.587 10 30 EFEEMP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CCCCCC ZINC001272044759 1104279412 /nfs/dbraw/zinc/27/94/12/1104279412.db2.gz SDRNBSQMSVBMPG-OALUTQOASA-N 2 1 333.520 2.587 10 30 EFEEMP CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CCCCCC ZINC001272044759 1104279419 /nfs/dbraw/zinc/27/94/19/1104279419.db2.gz SDRNBSQMSVBMPG-OALUTQOASA-N 2 1 333.520 2.587 10 30 EFEEMP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001664185718 1104309244 /nfs/dbraw/zinc/30/92/44/1104309244.db2.gz ABQMEZVCKCTICZ-QAPCUYQASA-N 2 1 327.488 2.602 10 30 EFEEMP C=CCCC[NH2+][C@H](CNC(=O)[C@@]12CC[N@@H+](C1)CCC2)c1ccccc1 ZINC001664598468 1104467790 /nfs/dbraw/zinc/46/77/90/1104467790.db2.gz LGNXQNDUCZLSRT-CTNGQTDRSA-N 2 1 341.499 2.886 10 30 EFEEMP 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C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001664817226 1104562649 /nfs/dbraw/zinc/56/26/49/1104562649.db2.gz CYGXADNHBIINDA-MOPGFXCFSA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001664817226 1104562656 /nfs/dbraw/zinc/56/26/56/1104562656.db2.gz CYGXADNHBIINDA-MOPGFXCFSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCCCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001664830569 1104568306 /nfs/dbraw/zinc/56/83/06/1104568306.db2.gz VWWNMKHSNKYLCQ-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCCCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001664830569 1104568313 /nfs/dbraw/zinc/56/83/13/1104568313.db2.gz VWWNMKHSNKYLCQ-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCCCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001664830569 1104568322 /nfs/dbraw/zinc/56/83/22/1104568322.db2.gz VWWNMKHSNKYLCQ-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[N@H+](C)CC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001664873766 1104587193 /nfs/dbraw/zinc/58/71/93/1104587193.db2.gz KTLGIDWEXBFLMG-UHFFFAOYSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001664876495 1104590528 /nfs/dbraw/zinc/59/05/28/1104590528.db2.gz YEWBAJQRXIKAQY-YLJYHZDGSA-N 2 1 347.547 2.853 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001665663701 1104743379 /nfs/dbraw/zinc/74/33/79/1104743379.db2.gz CVNCIGCKAXWIFQ-FQEVSTJZSA-N 2 1 343.515 2.660 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001665663701 1104743383 /nfs/dbraw/zinc/74/33/83/1104743383.db2.gz CVNCIGCKAXWIFQ-FQEVSTJZSA-N 2 1 343.515 2.660 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001665663701 1104743390 /nfs/dbraw/zinc/74/33/90/1104743390.db2.gz CVNCIGCKAXWIFQ-FQEVSTJZSA-N 2 1 343.515 2.660 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001665663701 1104743397 /nfs/dbraw/zinc/74/33/97/1104743397.db2.gz CVNCIGCKAXWIFQ-FQEVSTJZSA-N 2 1 343.515 2.660 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001665686756 1104752370 /nfs/dbraw/zinc/75/23/70/1104752370.db2.gz QBZBXNVMAMHJQX-RTBURBONSA-N 2 1 329.488 2.788 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001665686756 1104752376 /nfs/dbraw/zinc/75/23/76/1104752376.db2.gz QBZBXNVMAMHJQX-RTBURBONSA-N 2 1 329.488 2.788 10 30 EFEEMP C=CCCC[NH2+][C@H](CC)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001665844389 1104793064 /nfs/dbraw/zinc/79/30/64/1104793064.db2.gz JANKTNMKKFZKSD-CRAIPNDOSA-N 2 1 327.488 2.650 10 30 EFEEMP C#CCC[NH2+]C[C@]1(NC(=O)Cn2cc[nH+]c2C(C)C)CCCC[C@@H]1C ZINC001666064526 1104846619 /nfs/dbraw/zinc/84/66/19/1104846619.db2.gz VLEQSMHLTWTRIM-FXAWDEMLSA-N 2 1 344.503 2.685 10 30 EFEEMP C=CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001666249751 1104911562 /nfs/dbraw/zinc/91/15/62/1104911562.db2.gz UDHNNCIWCSKLFH-MOPGFXCFSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CCCC1 ZINC001666786770 1104997579 /nfs/dbraw/zinc/99/75/79/1104997579.db2.gz FMABRSMCVAATNQ-KRWDZBQOSA-N 2 1 344.503 2.739 10 30 EFEEMP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CCCC1 ZINC001666796214 1104998283 /nfs/dbraw/zinc/99/82/83/1104998283.db2.gz PGLZZYSAPLYFHU-MSOLQXFVSA-N 2 1 333.520 2.988 10 30 EFEEMP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]3CCC[N@H+]31)CC2 ZINC001666834440 1105004345 /nfs/dbraw/zinc/00/43/45/1105004345.db2.gz IFKNPMHVPOQJFT-MOPGFXCFSA-N 2 1 345.531 2.894 10 30 EFEEMP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]3CCC[N@H+]31)CC2 ZINC001666834441 1105005092 /nfs/dbraw/zinc/00/50/92/1105005092.db2.gz IFKNPMHVPOQJFT-OALUTQOASA-N 2 1 345.531 2.894 10 30 EFEEMP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001667100842 1105051647 /nfs/dbraw/zinc/05/16/47/1105051647.db2.gz HRLQQAHJYFDTSJ-AZUAARDMSA-N 2 1 347.547 2.927 10 30 EFEEMP 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ZINC001669905256 1105543311 /nfs/dbraw/zinc/54/33/11/1105543311.db2.gz RMHNJOQTVLIOEN-JKSUJKDBSA-N 2 1 341.459 2.672 10 30 EFEEMP C=CCC[C@H](C)[NH2+]CCCN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001670250023 1105604664 /nfs/dbraw/zinc/60/46/64/1105604664.db2.gz RAIJJHPCGMWUHH-LPHOPBHVSA-N 2 1 341.515 2.992 10 30 EFEEMP C#CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C1CC[NH+](CCCCCC)CC1 ZINC001671491581 1105644896 /nfs/dbraw/zinc/64/48/96/1105644896.db2.gz DRFMKSZPXLSIPE-LJQANCHMSA-N 2 1 347.547 2.835 10 30 EFEEMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccc2ccccc2c1 ZINC001671512113 1105648601 /nfs/dbraw/zinc/64/86/01/1105648601.db2.gz APJGZFBONBDZRT-SFTDATJTSA-N 2 1 349.478 2.704 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001671598529 1105666902 /nfs/dbraw/zinc/66/69/02/1105666902.db2.gz MURZCQXHDCUWJW-UYAOXDASSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001671643336 1105676144 /nfs/dbraw/zinc/67/61/44/1105676144.db2.gz GRACFFRPLIHTAG-VQIMIIECSA-N 2 1 332.492 2.943 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001671643336 1105676145 /nfs/dbraw/zinc/67/61/45/1105676145.db2.gz GRACFFRPLIHTAG-VQIMIIECSA-N 2 1 332.492 2.943 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001671775762 1105700781 /nfs/dbraw/zinc/70/07/81/1105700781.db2.gz WVTOHHSCMAGWJJ-AZUAARDMSA-N 2 1 335.536 2.903 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001671916149 1105729948 /nfs/dbraw/zinc/72/99/48/1105729948.db2.gz FRRPQDVMHFDYCR-CTNGQTDRSA-N 2 1 347.547 2.739 10 30 EFEEMP C=CCCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001671916078 1105730345 /nfs/dbraw/zinc/73/03/45/1105730345.db2.gz DYSXMNAXHKXXPW-PMACEKPBSA-N 2 1 333.520 2.657 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001671916078 1105730352 /nfs/dbraw/zinc/73/03/52/1105730352.db2.gz 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ZINC001672539070 1105866725 /nfs/dbraw/zinc/86/67/25/1105866725.db2.gz WHRRFMCPIBCZHQ-RTBURBONSA-N 2 1 333.520 2.587 10 30 EFEEMP C=CCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CCC1 ZINC001673213867 1105985624 /nfs/dbraw/zinc/98/56/24/1105985624.db2.gz BNBPHJMDXJNCBY-MOPGFXCFSA-N 2 1 341.499 2.536 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001673496139 1106033637 /nfs/dbraw/zinc/03/36/37/1106033637.db2.gz HMPBSMNBXHFNCE-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C#CCC[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)cc2C1 ZINC001673769417 1106085051 /nfs/dbraw/zinc/08/50/51/1106085051.db2.gz JGEZYUXSELNAAM-IRXDYDNUSA-N 2 1 339.483 2.515 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC001674029085 1106126943 /nfs/dbraw/zinc/12/69/43/1106126943.db2.gz PFWUMHPOJYUAAY-WMZOPIPTSA-N 2 1 335.536 2.900 10 30 EFEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001674033026 1106128085 /nfs/dbraw/zinc/12/80/85/1106128085.db2.gz DTTMOXSMCRZEBX-OALUTQOASA-N 2 1 347.547 2.737 10 30 EFEEMP C=CCC[N@H+](CC)CC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001674343295 1106173608 /nfs/dbraw/zinc/17/36/08/1106173608.db2.gz QTNKUMRBCPRLKC-UHFFFAOYSA-N 2 1 347.547 2.999 10 30 EFEEMP C#CCC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001674354241 1106177251 /nfs/dbraw/zinc/17/72/51/1106177251.db2.gz ZICUUPNFQJIQDX-VQTJNVASSA-N 2 1 347.547 2.691 10 30 EFEEMP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001674429807 1106187664 /nfs/dbraw/zinc/18/76/64/1106187664.db2.gz XCBVPWHFXTZSQK-VAMGGRTRSA-N 2 1 341.499 2.809 10 30 EFEEMP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001674479893 1106201157 /nfs/dbraw/zinc/20/11/57/1106201157.db2.gz ACWBBHCWGQVMOO-HXUWFJFHSA-N 2 1 343.515 2.903 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001674510619 1106211509 /nfs/dbraw/zinc/21/15/09/1106211509.db2.gz SLVZHTAFANVEMY-IBGZPJMESA-N 2 1 347.547 2.855 10 30 EFEEMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001674780541 1106255555 /nfs/dbraw/zinc/25/55/55/1106255555.db2.gz NEESYWLMUQOFLX-HZPDHXFCSA-N 2 1 349.906 2.515 10 30 EFEEMP C=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001674832311 1106263890 /nfs/dbraw/zinc/26/38/90/1106263890.db2.gz PAKRYHFOGQQNCW-QGZVFWFLSA-N 2 1 335.536 2.901 10 30 EFEEMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC001675481414 1106370671 /nfs/dbraw/zinc/37/06/71/1106370671.db2.gz YXIQRSCJHUBBIU-QGZVFWFLSA-N 2 1 335.536 2.879 10 30 EFEEMP C=CCCC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@H+](C)C3CCC3)C[C@@H]2C1 ZINC001675636964 1106401862 /nfs/dbraw/zinc/40/18/62/1106401862.db2.gz YBPGUHFKUOYGGO-KSZLIROESA-N 2 1 333.520 2.654 10 30 EFEEMP C=CCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001675636964 1106401865 /nfs/dbraw/zinc/40/18/65/1106401865.db2.gz YBPGUHFKUOYGGO-KSZLIROESA-N 2 1 333.520 2.654 10 30 EFEEMP C=CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001675636964 1106401868 /nfs/dbraw/zinc/40/18/68/1106401868.db2.gz YBPGUHFKUOYGGO-KSZLIROESA-N 2 1 333.520 2.654 10 30 EFEEMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@@]2(C)C1 ZINC001675692414 1106411125 /nfs/dbraw/zinc/41/11/25/1106411125.db2.gz FSPLUBDGUCKEJQ-RLLQIKCJSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001675793029 1106423652 /nfs/dbraw/zinc/42/36/52/1106423652.db2.gz VZDMUVGNWILHOF-GPMSIDNRSA-N 2 1 339.499 2.650 10 30 EFEEMP C#CCC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001675899943 1106442065 /nfs/dbraw/zinc/44/20/65/1106442065.db2.gz YTWNLGBZDLNBIL-ROUUACIJSA-N 2 1 333.520 2.539 10 30 EFEEMP C=CCC[NH+](C)C1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001676081948 1106482745 /nfs/dbraw/zinc/48/27/45/1106482745.db2.gz BBVQMRCFGUDLIX-UHFFFAOYSA-N 2 1 329.488 2.617 10 30 EFEEMP C=CCC[NH+](C)C1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001676081948 1106482746 /nfs/dbraw/zinc/48/27/46/1106482746.db2.gz BBVQMRCFGUDLIX-UHFFFAOYSA-N 2 1 329.488 2.617 10 30 EFEEMP C=CCC[N@@H+](C)C1CCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001676081948 1106482749 /nfs/dbraw/zinc/48/27/49/1106482749.db2.gz BBVQMRCFGUDLIX-UHFFFAOYSA-N 2 1 329.488 2.617 10 30 EFEEMP C=CCC[N@H+](C)C1CCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001676081948 1106482753 /nfs/dbraw/zinc/48/27/53/1106482753.db2.gz BBVQMRCFGUDLIX-UHFFFAOYSA-N 2 1 329.488 2.617 10 30 EFEEMP C#CCC[NH2+]CCC[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001676143688 1106490807 /nfs/dbraw/zinc/49/08/07/1106490807.db2.gz CXQJEEUDOKKZJK-VQTJNVASSA-N 2 1 341.499 2.721 10 30 EFEEMP C=CCCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001676249321 1106505889 /nfs/dbraw/zinc/50/58/89/1106505889.db2.gz KQFLNFMHZKJWIS-MJGOQNOKSA-N 2 1 344.503 2.547 10 30 EFEEMP C=CCCC[NH2+]C[C@@H](NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C(C)(C)C ZINC001677276352 1106689063 /nfs/dbraw/zinc/68/90/63/1106689063.db2.gz BASNPDCUHUGNRJ-FUHWJXTLSA-N 2 1 346.519 2.841 10 30 EFEEMP C=CCC[NH2+]CC[C@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001272565864 1108673759 /nfs/dbraw/zinc/67/37/59/1108673759.db2.gz PIFCSBNZROWBCU-LPHOPBHVSA-N 2 1 339.499 2.603 10 30 EFEEMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001483816518 1112485298 /nfs/dbraw/zinc/48/52/98/1112485298.db2.gz DIUOTUGSKMSQFB-WOJBJXKFSA-N 2 1 345.531 2.892 10 30 EFEEMP C=CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001483816518 1112485300 /nfs/dbraw/zinc/48/53/00/1112485300.db2.gz DIUOTUGSKMSQFB-WOJBJXKFSA-N 2 1 345.531 2.892 10 30 EFEEMP C=CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001483816518 1112485302 /nfs/dbraw/zinc/48/53/02/1112485302.db2.gz DIUOTUGSKMSQFB-WOJBJXKFSA-N 2 1 345.531 2.892 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001483833615 1112494364 /nfs/dbraw/zinc/49/43/64/1112494364.db2.gz MHDQLDWLZKMTQR-QUCCMNQESA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001483844910 1112503026 /nfs/dbraw/zinc/50/30/26/1112503026.db2.gz CUCKHDMADOKYHB-FQEVSTJZSA-N 2 1 333.520 2.751 10 30 EFEEMP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC001483918001 1112558713 /nfs/dbraw/zinc/55/87/13/1112558713.db2.gz QXOQZGZIRVGYLB-HKUYNNGSSA-N 2 1 329.488 2.664 10 30 EFEEMP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC001483918001 1112558721 /nfs/dbraw/zinc/55/87/21/1112558721.db2.gz QXOQZGZIRVGYLB-HKUYNNGSSA-N 2 1 329.488 2.664 10 30 EFEEMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001483918003 1112559116 /nfs/dbraw/zinc/55/91/16/1112559116.db2.gz QXOQZGZIRVGYLB-IEBWSBKVSA-N 2 1 329.488 2.664 10 30 EFEEMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001483918003 1112559117 /nfs/dbraw/zinc/55/91/17/1112559117.db2.gz QXOQZGZIRVGYLB-IEBWSBKVSA-N 2 1 329.488 2.664 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001483959295 1112589606 /nfs/dbraw/zinc/58/96/06/1112589606.db2.gz PXZPQXCQHFUOMH-OALUTQOASA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCCC[NH+]1CCC(C)(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001483971628 1112602368 /nfs/dbraw/zinc/60/23/68/1112602368.db2.gz VLECKSVZSUEMTK-KRWDZBQOSA-N 2 1 344.503 2.691 10 30 EFEEMP C#CCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C1CC[NH+](CCCC)CC1 ZINC001483983532 1112628587 /nfs/dbraw/zinc/62/85/87/1112628587.db2.gz FCWPOOUCSBGYEP-AZUAARDMSA-N 2 1 345.531 2.730 10 30 EFEEMP C=CCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001484021111 1112673740 /nfs/dbraw/zinc/67/37/40/1112673740.db2.gz YCTXROCCQXDNPZ-QUCCMNQESA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001484021111 1112673742 /nfs/dbraw/zinc/67/37/42/1112673742.db2.gz YCTXROCCQXDNPZ-QUCCMNQESA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001484021111 1112673746 /nfs/dbraw/zinc/67/37/46/1112673746.db2.gz YCTXROCCQXDNPZ-QUCCMNQESA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001484021107 1112673767 /nfs/dbraw/zinc/67/37/67/1112673767.db2.gz YCTXROCCQXDNPZ-AZUAARDMSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001484021107 1112673769 /nfs/dbraw/zinc/67/37/69/1112673769.db2.gz YCTXROCCQXDNPZ-AZUAARDMSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001484021107 1112673772 /nfs/dbraw/zinc/67/37/72/1112673772.db2.gz YCTXROCCQXDNPZ-AZUAARDMSA-N 2 1 333.520 2.751 10 30 EFEEMP C=C(C)C[NH+]1CCC(C)(CNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001484147247 1112825600 /nfs/dbraw/zinc/82/56/00/1112825600.db2.gz RPCSIVHKPYKQKD-UHFFFAOYSA-N 2 1 343.515 2.913 10 30 EFEEMP C=C(C)C[NH+]1CCC(C)(CNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001484147247 1112825606 /nfs/dbraw/zinc/82/56/06/1112825606.db2.gz RPCSIVHKPYKQKD-UHFFFAOYSA-N 2 1 343.515 2.913 10 30 EFEEMP C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001484198222 1112918357 /nfs/dbraw/zinc/91/83/57/1112918357.db2.gz QKHIEPMNJQCARW-MRXNPFEDSA-N 2 1 343.462 2.512 10 30 EFEEMP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001484544064 1112996934 /nfs/dbraw/zinc/99/69/34/1112996934.db2.gz SWSHFUVILSYPEZ-INIZCTEOSA-N 2 1 338.883 2.552 10 30 EFEEMP CC#CC[N@@H+](C)Cc1ccccc1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001484553447 1113005627 /nfs/dbraw/zinc/00/56/27/1113005627.db2.gz FHFUERCEFVTYSO-FQEVSTJZSA-N 2 1 341.499 2.632 10 30 EFEEMP CC#CC[NH+](C)Cc1ccccc1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001484553447 1113005632 /nfs/dbraw/zinc/00/56/32/1113005632.db2.gz FHFUERCEFVTYSO-FQEVSTJZSA-N 2 1 341.499 2.632 10 30 EFEEMP CC#CC[NH+](C)Cc1ccccc1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001484553447 1113005635 /nfs/dbraw/zinc/00/56/35/1113005635.db2.gz FHFUERCEFVTYSO-FQEVSTJZSA-N 2 1 341.499 2.632 10 30 EFEEMP C=CCC[C@@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001484570458 1113029372 /nfs/dbraw/zinc/02/93/72/1113029372.db2.gz SRWKOMUIJSWXBU-KBAYOESNSA-N 2 1 332.492 2.811 10 30 EFEEMP C=CC[NH+]1CCC(CCCCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001484820765 1117754989 /nfs/dbraw/zinc/75/49/89/1117754989.db2.gz FIMLDLGGGVUUPY-IEBWSBKVSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)c2cc(C[NH+](C)C)on2)cc1 ZINC001272690544 1117766887 /nfs/dbraw/zinc/76/68/87/1117766887.db2.gz ATKBULIUQSVXNZ-AWEZNQCLSA-N 2 1 342.443 2.503 10 30 EFEEMP C=CCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001484917463 1117817344 /nfs/dbraw/zinc/81/73/44/1117817344.db2.gz HKIUJBJQTKQDDO-GOSISDBHSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001484939886 1117855873 /nfs/dbraw/zinc/85/58/73/1117855873.db2.gz GFOWGQNMYXZHSH-SFHVURJKSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)CN1CCc2ccccc2[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001485004217 1117932957 /nfs/dbraw/zinc/93/29/57/1117932957.db2.gz LOEJZCWMRISRCG-FQEVSTJZSA-N 2 1 341.499 2.762 10 30 EFEEMP C=C(C)C[NH+]1CCc2ccccc2[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001485004217 1117932960 /nfs/dbraw/zinc/93/29/60/1117932960.db2.gz LOEJZCWMRISRCG-FQEVSTJZSA-N 2 1 341.499 2.762 10 30 EFEEMP C=C(C)C[NH+]1CCc2ccccc2[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001485004217 1117932964 /nfs/dbraw/zinc/93/29/64/1117932964.db2.gz LOEJZCWMRISRCG-FQEVSTJZSA-N 2 1 341.499 2.762 10 30 EFEEMP C=C(C)C[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001485004217 1117932965 /nfs/dbraw/zinc/93/29/65/1117932965.db2.gz LOEJZCWMRISRCG-FQEVSTJZSA-N 2 1 341.499 2.762 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001485029193 1117954319 /nfs/dbraw/zinc/95/43/19/1117954319.db2.gz KHWFGTITDHXNLD-IEBWSBKVSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[C@@H](C)[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001485029193 1117954322 /nfs/dbraw/zinc/95/43/22/1117954322.db2.gz KHWFGTITDHXNLD-IEBWSBKVSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[C@@H](C)[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001485029193 1117954325 /nfs/dbraw/zinc/95/43/25/1117954325.db2.gz KHWFGTITDHXNLD-IEBWSBKVSA-N 2 1 335.536 2.996 10 30 EFEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001485066953 1117989580 /nfs/dbraw/zinc/98/95/80/1117989580.db2.gz FFGGMADUIIAHPM-PMACEKPBSA-N 2 1 345.531 2.730 10 30 EFEEMP CC#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001485066953 1117989582 /nfs/dbraw/zinc/98/95/82/1117989582.db2.gz FFGGMADUIIAHPM-PMACEKPBSA-N 2 1 345.531 2.730 10 30 EFEEMP CC#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001485066953 1117989584 /nfs/dbraw/zinc/98/95/84/1117989584.db2.gz FFGGMADUIIAHPM-PMACEKPBSA-N 2 1 345.531 2.730 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC/C=C\CCC ZINC001485059533 1117999103 /nfs/dbraw/zinc/99/91/03/1117999103.db2.gz JHVYPHZYTFNEGA-KGMDJONISA-N 2 1 345.531 2.753 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC/C=C\CCC ZINC001485059533 1117999106 /nfs/dbraw/zinc/99/91/06/1117999106.db2.gz JHVYPHZYTFNEGA-KGMDJONISA-N 2 1 345.531 2.753 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC/C=C\CCC ZINC001485059533 1117999108 /nfs/dbraw/zinc/99/91/08/1117999108.db2.gz JHVYPHZYTFNEGA-KGMDJONISA-N 2 1 345.531 2.753 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC/C=C\CCC ZINC001485059533 1117999110 /nfs/dbraw/zinc/99/91/10/1117999110.db2.gz JHVYPHZYTFNEGA-KGMDJONISA-N 2 1 345.531 2.753 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001485085299 1118024485 /nfs/dbraw/zinc/02/44/85/1118024485.db2.gz ZQVZJVLJUXTQHX-RBUKOAKNSA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001485085299 1118024488 /nfs/dbraw/zinc/02/44/88/1118024488.db2.gz ZQVZJVLJUXTQHX-RBUKOAKNSA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001485085299 1118024492 /nfs/dbraw/zinc/02/44/92/1118024492.db2.gz ZQVZJVLJUXTQHX-RBUKOAKNSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001485085321 1118024590 /nfs/dbraw/zinc/02/45/90/1118024590.db2.gz ZYWKZYROJAYYLQ-MOPGFXCFSA-N 2 1 344.503 2.718 10 30 EFEEMP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001485085321 1118024593 /nfs/dbraw/zinc/02/45/93/1118024593.db2.gz ZYWKZYROJAYYLQ-MOPGFXCFSA-N 2 1 344.503 2.718 10 30 EFEEMP C=CCCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001485085768 1118025400 /nfs/dbraw/zinc/02/54/00/1118025400.db2.gz WKMXUMHWCOXBAU-PMACEKPBSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001485085768 1118025405 /nfs/dbraw/zinc/02/54/05/1118025405.db2.gz WKMXUMHWCOXBAU-PMACEKPBSA-N 2 1 347.547 2.997 10 30 EFEEMP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001485253243 1118168785 /nfs/dbraw/zinc/16/87/85/1118168785.db2.gz DUNGWIMKXCKVDL-JKSUJKDBSA-N 2 1 341.927 2.830 10 30 EFEEMP C=CCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001485258806 1118190847 /nfs/dbraw/zinc/19/08/47/1118190847.db2.gz UJEINMQBTPPJBT-QGZVFWFLSA-N 2 1 346.519 2.794 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCC1CCCCCC1 ZINC001485313248 1118226168 /nfs/dbraw/zinc/22/61/68/1118226168.db2.gz LITVRBAVVBDLMP-QUCCMNQESA-N 2 1 347.547 2.881 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCC1CCCCCC1 ZINC001485313248 1118226169 /nfs/dbraw/zinc/22/61/69/1118226169.db2.gz LITVRBAVVBDLMP-QUCCMNQESA-N 2 1 347.547 2.881 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CCC1CCCCCC1 ZINC001485313248 1118226171 /nfs/dbraw/zinc/22/61/71/1118226171.db2.gz LITVRBAVVBDLMP-QUCCMNQESA-N 2 1 347.547 2.881 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CCC1CCCCCC1 ZINC001485313248 1118226172 /nfs/dbraw/zinc/22/61/72/1118226172.db2.gz LITVRBAVVBDLMP-QUCCMNQESA-N 2 1 347.547 2.881 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CCCC(C)(C)C)CC1 ZINC001485387829 1118327802 /nfs/dbraw/zinc/32/78/02/1118327802.db2.gz IXTNFEGEWYAYRF-QGZVFWFLSA-N 2 1 335.536 2.594 10 30 EFEEMP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001485653962 1118501114 /nfs/dbraw/zinc/50/11/14/1118501114.db2.gz OXEGSJIMNKUGIY-RCCFBDPRSA-N 2 1 333.520 2.654 10 30 EFEEMP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCCn3cc[nH+]c3C)C[C@@H]2C1 ZINC001485659334 1118509332 /nfs/dbraw/zinc/50/93/32/1118509332.db2.gz ZSQXESOQLYVMKN-OTWHNJEPSA-N 2 1 344.503 2.765 10 30 EFEEMP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCCn3cc[nH+]c3C)C[C@@H]2C1 ZINC001485659334 1118509333 /nfs/dbraw/zinc/50/93/33/1118509333.db2.gz ZSQXESOQLYVMKN-OTWHNJEPSA-N 2 1 344.503 2.765 10 30 EFEEMP C=CCCCCC[N@@H+]1CCCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001485664679 1118513106 /nfs/dbraw/zinc/51/31/06/1118513106.db2.gz ZOKFVFKTLWKLFO-SFHVURJKSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001485758090 1118562422 /nfs/dbraw/zinc/56/24/22/1118562422.db2.gz ADAOUVADLFNUCM-IBGZPJMESA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001485758090 1118562425 /nfs/dbraw/zinc/56/24/25/1118562425.db2.gz ADAOUVADLFNUCM-IBGZPJMESA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001485758090 1118562428 /nfs/dbraw/zinc/56/24/28/1118562428.db2.gz ADAOUVADLFNUCM-IBGZPJMESA-N 2 1 333.520 2.892 10 30 EFEEMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940800533 1118633950 /nfs/dbraw/zinc/63/39/50/1118633950.db2.gz BZVSKDHTPKZNES-MOPGFXCFSA-N 2 1 345.531 2.633 10 30 EFEEMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000940800533 1118633951 /nfs/dbraw/zinc/63/39/51/1118633951.db2.gz BZVSKDHTPKZNES-MOPGFXCFSA-N 2 1 345.531 2.633 10 30 EFEEMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940800533 1118633952 /nfs/dbraw/zinc/63/39/52/1118633952.db2.gz BZVSKDHTPKZNES-MOPGFXCFSA-N 2 1 345.531 2.633 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@H](C)CC)CC2(C)C)CC1 ZINC000941237445 1118695715 /nfs/dbraw/zinc/69/57/15/1118695715.db2.gz NMKGULZRIKQHSZ-IEBWSBKVSA-N 2 1 347.547 2.594 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H](C)CC)CC2(C)C)CC1 ZINC000941237446 1118695815 /nfs/dbraw/zinc/69/58/15/1118695815.db2.gz NMKGULZRIKQHSZ-MJGOQNOKSA-N 2 1 347.547 2.594 10 30 EFEEMP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000247091900 240276530 /nfs/dbraw/zinc/27/65/30/240276530.db2.gz HRLQRNMVEZRSGO-SJORKVTESA-N 2 1 330.476 2.672 10 30 EFEEMP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000247091900 240276534 /nfs/dbraw/zinc/27/65/34/240276534.db2.gz HRLQRNMVEZRSGO-SJORKVTESA-N 2 1 330.476 2.672 10 30 EFEEMP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000247091881 240277014 /nfs/dbraw/zinc/27/70/14/240277014.db2.gz HRLQRNMVEZRSGO-IAGOWNOFSA-N 2 1 330.476 2.672 10 30 EFEEMP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000247091881 240277019 /nfs/dbraw/zinc/27/70/19/240277019.db2.gz HRLQRNMVEZRSGO-IAGOWNOFSA-N 2 1 330.476 2.672 10 30 EFEEMP C[NH+]=C(NC[C@H](C)[N@H+]1CCCC[C@H]1C)N(C)Cc1csc(C)n1 ZINC000261831835 240326073 /nfs/dbraw/zinc/32/60/73/240326073.db2.gz VMNNAVUNSIDAKL-KGLIPLIRSA-N 2 1 337.537 2.722 10 30 EFEEMP C[NH+]=C(NCc1nc(C(C)C)c(C)s1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262009059 240339907 /nfs/dbraw/zinc/33/99/07/240339907.db2.gz WDWPJKJCWXPHON-IUODEOHRSA-N 2 1 349.548 2.723 10 30 EFEEMP Cc1nc(C[NH+]2CCC(CNC(=[NH2+])NC3CCCC3)CC2)cs1 ZINC000262308488 240346124 /nfs/dbraw/zinc/34/61/24/240346124.db2.gz MZYSAFKGENXCQM-UHFFFAOYSA-N 2 1 335.521 2.510 10 30 EFEEMP C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)NCC[NH+]1CCCCC1 ZINC000329005270 241284897 /nfs/dbraw/zinc/28/48/97/241284897.db2.gz MNPOJRZCHVMZJQ-XHSDSOJGSA-N 2 1 338.496 2.504 10 30 EFEEMP C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414674640 244285128 /nfs/dbraw/zinc/28/51/28/244285128.db2.gz DYJKJIHSHGHQEF-CYBMUJFWSA-N 2 1 341.908 2.587 10 30 EFEEMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccc(C#N)s1 ZINC000342407678 145119156 /nfs/dbraw/zinc/11/91/56/145119156.db2.gz ANPPKFKYNBSLDS-UHFFFAOYSA-N 2 1 330.457 2.635 10 30 EFEEMP C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000342767335 145188034 /nfs/dbraw/zinc/18/80/34/145188034.db2.gz ALUBDPPAUIPMNW-WBVHZDCISA-N 2 1 337.471 2.949 10 30 EFEEMP C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000342767335 145188035 /nfs/dbraw/zinc/18/80/35/145188035.db2.gz ALUBDPPAUIPMNW-WBVHZDCISA-N 2 1 337.471 2.949 10 30 EFEEMP C[N@@H+](C[C@@H](O)CNCc1ccc(-c2ccccc2C#N)cc1)C1CC1 ZINC000579824527 324038992 /nfs/dbraw/zinc/03/89/92/324038992.db2.gz LSGPSWDJUMLSGD-FQEVSTJZSA-N 2 1 335.451 2.770 10 30 EFEEMP CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2ccccc2C#N)cc1)C1CC1 ZINC000579824527 324038995 /nfs/dbraw/zinc/03/89/95/324038995.db2.gz LSGPSWDJUMLSGD-FQEVSTJZSA-N 2 1 335.451 2.770 10 30 EFEEMP C=CCCC[N@H+](C)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000121059375 472791106 /nfs/dbraw/zinc/79/11/06/472791106.db2.gz WIRAUPRMJGVFRQ-HKUYNNGSSA-N 2 1 329.488 2.664 10 30 EFEEMP C=CCCC[NH+](C)[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000121059375 472791112 /nfs/dbraw/zinc/79/11/12/472791112.db2.gz WIRAUPRMJGVFRQ-HKUYNNGSSA-N 2 1 329.488 2.664 10 30 EFEEMP C=CCCC[NH+](C)[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000121059375 472791118 /nfs/dbraw/zinc/79/11/18/472791118.db2.gz WIRAUPRMJGVFRQ-HKUYNNGSSA-N 2 1 329.488 2.664 10 30 EFEEMP C(#CC[N@H+]1CC[C@H]2CC[C@@H](C1)S2)C[NH+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625777445 480042957 /nfs/dbraw/zinc/04/29/57/480042957.db2.gz FGDYWEFRVOAXSM-BDXSIMOUSA-N 2 1 336.570 2.930 10 30 EFEEMP C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282060037 473933809 /nfs/dbraw/zinc/93/38/09/473933809.db2.gz MPNYZYCCKYVRHT-QGZVFWFLSA-N 2 1 344.503 2.823 10 30 EFEEMP C=C(C)CN(CC)C(=O)CN1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282060037 473933816 /nfs/dbraw/zinc/93/38/16/473933816.db2.gz MPNYZYCCKYVRHT-QGZVFWFLSA-N 2 1 344.503 2.823 10 30 EFEEMP CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2sc(C)c(C)c2C#N)[C@@H](C)C1 ZINC000247246069 474097957 /nfs/dbraw/zinc/09/79/57/474097957.db2.gz UEAYLVMWUDOZOI-LRDDRELGSA-N 2 1 348.516 2.837 10 30 EFEEMP C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182617406 474219776 /nfs/dbraw/zinc/21/97/76/474219776.db2.gz JWNFTMYFGYJUIT-ZEDDUWKQSA-N 2 1 338.499 2.862 10 30 EFEEMP C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182617406 474219782 /nfs/dbraw/zinc/21/97/82/474219782.db2.gz JWNFTMYFGYJUIT-ZEDDUWKQSA-N 2 1 338.499 2.862 10 30 EFEEMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000383104547 476750412 /nfs/dbraw/zinc/75/04/12/476750412.db2.gz CUHYRIYNBWJVFH-IRXDYDNUSA-N 2 1 337.508 2.567 10 30 EFEEMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000383104547 476750420 /nfs/dbraw/zinc/75/04/20/476750420.db2.gz CUHYRIYNBWJVFH-IRXDYDNUSA-N 2 1 337.508 2.567 10 30 EFEEMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccncc1C#N ZINC000375404202 476819620 /nfs/dbraw/zinc/81/96/20/476819620.db2.gz OXMNOWJOCZEIGA-UHFFFAOYSA-N 2 1 341.503 2.586 10 30 EFEEMP C=CCOc1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000415045471 476907532 /nfs/dbraw/zinc/90/75/32/476907532.db2.gz BSTJVRINFGATEN-UHFFFAOYSA-N 2 1 329.488 2.557 10 30 EFEEMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(C#N)c(F)c1 ZINC000423503164 477051692 /nfs/dbraw/zinc/05/16/92/477051692.db2.gz FLIUDLMQGMSLFN-NNGSBXSVSA-N 2 1 330.451 2.564 10 30 EFEEMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1c1cccs1 ZINC000594437713 478386766 /nfs/dbraw/zinc/38/67/66/478386766.db2.gz DPULPPQVHIZGCI-HLLBOEOZSA-N 2 1 348.516 2.658 10 30 EFEEMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594439086 478388879 /nfs/dbraw/zinc/38/88/79/478388879.db2.gz SGNYBJUYBSHFSN-FGTMMUONSA-N 2 1 334.508 2.511 10 30 EFEEMP C[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000594445349 478393096 /nfs/dbraw/zinc/39/30/96/478393096.db2.gz JKYJGZLVRDPPOG-ULQDDVLXSA-N 2 1 348.878 2.613 10 30 EFEEMP C[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000594445349 478393103 /nfs/dbraw/zinc/39/31/03/478393103.db2.gz JKYJGZLVRDPPOG-ULQDDVLXSA-N 2 1 348.878 2.613 10 30 EFEEMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(C#N)cc1 ZINC000595067645 478649344 /nfs/dbraw/zinc/64/93/44/478649344.db2.gz HQNSROQLRZARFQ-IIBYNOLFSA-N 2 1 335.451 2.976 10 30 EFEEMP N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C[N@@H+]3CC[C@H](O)C3)cc1)CC2 ZINC000595066868 478649851 /nfs/dbraw/zinc/64/98/51/478649851.db2.gz FXCHJHUOGIHWGG-UNMCSNQZSA-N 2 1 347.462 2.902 10 30 EFEEMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc(C#N)c1 ZINC000595069883 478650890 /nfs/dbraw/zinc/65/08/90/478650890.db2.gz LWKJMWLAYUOZDB-IIBYNOLFSA-N 2 1 335.451 2.976 10 30 EFEEMP C[NH+]1CCC2(CC1)C[N@H+](Cc1cccc(OCCCC#N)c1)CCO2 ZINC000592525637 478932102 /nfs/dbraw/zinc/93/21/02/478932102.db2.gz BUKOFIMKTHHGAP-UHFFFAOYSA-N 2 1 343.471 2.666 10 30 EFEEMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc(OCCCC#N)c1)CCO2 ZINC000592525637 478932107 /nfs/dbraw/zinc/93/21/07/478932107.db2.gz BUKOFIMKTHHGAP-UHFFFAOYSA-N 2 1 343.471 2.666 10 30 EFEEMP N#Cc1sccc1N1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000595904498 479063188 /nfs/dbraw/zinc/06/31/88/479063188.db2.gz ZLJLHCKUJBCNFW-UHFFFAOYSA-N 2 1 338.480 2.588 10 30 EFEEMP C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000599365528 479270195 /nfs/dbraw/zinc/27/01/95/479270195.db2.gz FATKXACTFPMNOW-UHOSZYNNSA-N 2 1 327.472 2.541 10 30 EFEEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000599372388 479274239 /nfs/dbraw/zinc/27/42/39/479274239.db2.gz IZTCOSBIWMFIES-NZSAHSFTSA-N 2 1 327.472 2.541 10 30 EFEEMP C[NH+](C)CCC[N@H+](C)CCNc1cc(C#N)ccc1C(F)(F)F ZINC000596424321 479288880 /nfs/dbraw/zinc/28/88/80/479288880.db2.gz HUAHXJBWFVDDMB-UHFFFAOYSA-N 2 1 328.382 2.872 10 30 EFEEMP C[NH+](C)CCC[N@@H+](C)CCNc1cc(C#N)ccc1C(F)(F)F ZINC000596424321 479288887 /nfs/dbraw/zinc/28/88/87/479288887.db2.gz HUAHXJBWFVDDMB-UHFFFAOYSA-N 2 1 328.382 2.872 10 30 EFEEMP C[NH+](C)CCC[N@H+](C)CCNc1ccc(C(F)(F)F)c(C#N)c1 ZINC000596426018 479290012 /nfs/dbraw/zinc/29/00/12/479290012.db2.gz ZEDHUNUYYONMKZ-UHFFFAOYSA-N 2 1 328.382 2.872 10 30 EFEEMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc(C(F)(F)F)c(C#N)c1 ZINC000596426018 479290019 /nfs/dbraw/zinc/29/00/19/479290019.db2.gz ZEDHUNUYYONMKZ-UHFFFAOYSA-N 2 1 328.382 2.872 10 30 EFEEMP C[NH+](C)CCC[N@H+](C)CCNc1c(C#N)cnc2c(F)cc(F)cc21 ZINC000596425230 479290432 /nfs/dbraw/zinc/29/04/32/479290432.db2.gz RDKCNBSZMGOWSC-UHFFFAOYSA-N 2 1 347.413 2.680 10 30 EFEEMP C[NH+](C)CCC[N@@H+](C)CCNc1c(C#N)cnc2c(F)cc(F)cc21 ZINC000596425230 479290438 /nfs/dbraw/zinc/29/04/38/479290438.db2.gz RDKCNBSZMGOWSC-UHFFFAOYSA-N 2 1 347.413 2.680 10 30 EFEEMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000611236364 479318854 /nfs/dbraw/zinc/31/88/54/479318854.db2.gz FESONPXHTBNMJJ-UHFFFAOYSA-N 2 1 330.476 2.524 10 30 EFEEMP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597116205 479580725 /nfs/dbraw/zinc/58/07/25/479580725.db2.gz FVTUDWMUMWEPEB-UHFFFAOYSA-N 2 1 348.450 2.968 10 30 EFEEMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000597247689 479643267 /nfs/dbraw/zinc/64/32/67/479643267.db2.gz AVSOSNBWUUERKO-IBGZPJMESA-N 2 1 327.472 2.784 10 30 EFEEMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000597247689 479643272 /nfs/dbraw/zinc/64/32/72/479643272.db2.gz AVSOSNBWUUERKO-IBGZPJMESA-N 2 1 327.472 2.784 10 30 EFEEMP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000662089728 481542847 /nfs/dbraw/zinc/54/28/47/481542847.db2.gz DILLOMFFKOHSIX-OTWHNJEPSA-N 2 1 327.472 2.589 10 30 EFEEMP C=CC[C@@]1(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662729147 481952522 /nfs/dbraw/zinc/95/25/22/481952522.db2.gz KRSZZZLWELPHOH-FPOVZHCZSA-N 2 1 341.499 2.665 10 30 EFEEMP C=CC[C@]1(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CCC[NH2+]1 ZINC000662746322 481958542 /nfs/dbraw/zinc/95/85/42/481958542.db2.gz SCDLVKFTELMHTI-HHXXYDBFSA-N 2 1 347.528 2.946 10 30 EFEEMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171649928 526542795 /nfs/dbraw/zinc/54/27/95/526542795.db2.gz DZNAOTFNFZZXRY-ZWKOTPCHSA-N 2 1 344.503 2.937 10 30 EFEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000262531486 535548906 /nfs/dbraw/zinc/54/89/06/535548906.db2.gz NUTUNYUSVXMYMV-JMSVASOKSA-N 2 1 338.858 2.724 10 30 EFEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(Cl)sc1Cl ZINC000261983641 535549597 /nfs/dbraw/zinc/54/95/97/535549597.db2.gz JCJDDRHRJRZKGG-SNVBAGLBSA-N 2 1 335.304 2.944 10 30 EFEEMP CN(CCC#N)c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000247255442 536301935 /nfs/dbraw/zinc/30/19/35/536301935.db2.gz XJDNJSXKFBUICA-AZUAARDMSA-N 2 1 326.488 2.953 10 30 EFEEMP CN(CCC#N)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000247255442 536301938 /nfs/dbraw/zinc/30/19/38/536301938.db2.gz XJDNJSXKFBUICA-AZUAARDMSA-N 2 1 326.488 2.953 10 30 EFEEMP CN(CCC#N)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000247255442 536301940 /nfs/dbraw/zinc/30/19/40/536301940.db2.gz XJDNJSXKFBUICA-AZUAARDMSA-N 2 1 326.488 2.953 10 30 EFEEMP CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000768806495 577304457 /nfs/dbraw/zinc/30/44/57/577304457.db2.gz FFWKEOLXQDOJRI-ICSRJNTNSA-N 2 1 342.483 2.928 10 30 EFEEMP CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000768806495 577304459 /nfs/dbraw/zinc/30/44/59/577304459.db2.gz FFWKEOLXQDOJRI-ICSRJNTNSA-N 2 1 342.483 2.928 10 30 EFEEMP CC#CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001691306923 1248641928 /nfs/dbraw/zinc/64/19/28/1248641928.db2.gz ZAISRIQSYNCOKB-ZWKOTPCHSA-N 2 1 344.503 2.637 10 30 EFEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001691784644 1248664819 /nfs/dbraw/zinc/66/48/19/1248664819.db2.gz JSJVNSYHFOSNTK-RBUKOAKNSA-N 2 1 333.520 2.607 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1ccccc1Cl ZINC001691350104 1248681330 /nfs/dbraw/zinc/68/13/30/1248681330.db2.gz NMUDJUAVPCZMHX-QAPCUYQASA-N 2 1 347.890 2.547 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1ccccc1Cl ZINC001691350104 1248681339 /nfs/dbraw/zinc/68/13/39/1248681339.db2.gz NMUDJUAVPCZMHX-QAPCUYQASA-N 2 1 347.890 2.547 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001691417030 1248757500 /nfs/dbraw/zinc/75/75/00/1248757500.db2.gz SRCKKBNJPUNNMO-RBUKOAKNSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001691417533 1248761147 /nfs/dbraw/zinc/76/11/47/1248761147.db2.gz ZWGLBFDIHZLMBX-LJQANCHMSA-N 2 1 329.488 2.861 10 30 EFEEMP C=CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001267175944 1248875814 /nfs/dbraw/zinc/87/58/14/1248875814.db2.gz WDEVAZSSWFSPIQ-ROUUACIJSA-N 2 1 344.503 2.691 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001267175944 1248875830 /nfs/dbraw/zinc/87/58/30/1248875830.db2.gz WDEVAZSSWFSPIQ-ROUUACIJSA-N 2 1 344.503 2.691 10 30 EFEEMP C=CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001267175945 1248876989 /nfs/dbraw/zinc/87/69/89/1248876989.db2.gz WDEVAZSSWFSPIQ-ZWKOTPCHSA-N 2 1 344.503 2.691 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001267175945 1248877001 /nfs/dbraw/zinc/87/70/01/1248877001.db2.gz WDEVAZSSWFSPIQ-ZWKOTPCHSA-N 2 1 344.503 2.691 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)[C@H]21 ZINC001691429096 1248881826 /nfs/dbraw/zinc/88/18/26/1248881826.db2.gz UYZMNIGYQGHDSI-QRQLOZEOSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+](CCC)C1)c1ccccc1 ZINC001691791895 1249682274 /nfs/dbraw/zinc/68/22/74/1249682274.db2.gz JKMFLAIQJJOPAR-RTBURBONSA-N 2 1 329.488 2.742 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001691057959 1248320117 /nfs/dbraw/zinc/32/01/17/1248320117.db2.gz FPPHMUZYIFGIMH-APWZRJJASA-N 2 1 339.499 2.698 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001691057959 1248320129 /nfs/dbraw/zinc/32/01/29/1248320129.db2.gz FPPHMUZYIFGIMH-APWZRJJASA-N 2 1 339.499 2.698 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001691057959 1248320141 /nfs/dbraw/zinc/32/01/41/1248320141.db2.gz FPPHMUZYIFGIMH-APWZRJJASA-N 2 1 339.499 2.698 10 30 EFEEMP C=CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001691276867 1248589556 /nfs/dbraw/zinc/58/95/56/1248589556.db2.gz GSAFELYREOZZRU-OALUTQOASA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001691547836 1251761869 /nfs/dbraw/zinc/76/18/69/1251761869.db2.gz PRPUFTHTJRJGHS-QYZOEREBSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001691547836 1251761878 /nfs/dbraw/zinc/76/18/78/1251761878.db2.gz PRPUFTHTJRJGHS-QYZOEREBSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001691547836 1251761885 /nfs/dbraw/zinc/76/18/85/1251761885.db2.gz PRPUFTHTJRJGHS-QYZOEREBSA-N 2 1 333.520 2.607 10 30 EFEEMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001691567023 1251778505 /nfs/dbraw/zinc/77/85/05/1251778505.db2.gz SODYNLPUBFFFBK-CEXWTWQISA-N 2 1 335.536 2.831 10 30 EFEEMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001691567023 1251778519 /nfs/dbraw/zinc/77/85/19/1251778519.db2.gz SODYNLPUBFFFBK-CEXWTWQISA-N 2 1 335.536 2.831 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001484074988 1252181415 /nfs/dbraw/zinc/18/14/15/1252181415.db2.gz VKMGHFQVNMUMBI-QGZVFWFLSA-N 2 1 327.900 2.586 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001484074988 1252181417 /nfs/dbraw/zinc/18/14/17/1252181417.db2.gz VKMGHFQVNMUMBI-QGZVFWFLSA-N 2 1 327.900 2.586 10 30 EFEEMP CC#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001484399751 1252537780 /nfs/dbraw/zinc/53/77/80/1252537780.db2.gz VCGWAHBEXRRXOY-FQEVSTJZSA-N 2 1 341.499 2.501 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC/C=C\CC ZINC001484460311 1252652361 /nfs/dbraw/zinc/65/23/61/1252652361.db2.gz OKCCRCPOZGCSHW-QFTWQFLFSA-N 2 1 343.515 2.506 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC/C=C\CC ZINC001484460311 1252652371 /nfs/dbraw/zinc/65/23/71/1252652371.db2.gz OKCCRCPOZGCSHW-QFTWQFLFSA-N 2 1 343.515 2.506 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC/C=C\CC ZINC001484460311 1252652380 /nfs/dbraw/zinc/65/23/80/1252652380.db2.gz OKCCRCPOZGCSHW-QFTWQFLFSA-N 2 1 343.515 2.506 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC/C=C\CC ZINC001484460311 1252652389 /nfs/dbraw/zinc/65/23/89/1252652389.db2.gz OKCCRCPOZGCSHW-QFTWQFLFSA-N 2 1 343.515 2.506 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC/C=C\CC)CC2)CC1 ZINC001484727854 1252818975 /nfs/dbraw/zinc/81/89/75/1252818975.db2.gz HDFJXSGNGDZRBV-PRPIBZDOSA-N 2 1 345.531 2.659 10 30 EFEEMP C=CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001484770239 1252937456 /nfs/dbraw/zinc/93/74/56/1252937456.db2.gz BBRYAMIDKNDSRM-PMACEKPBSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001484770338 1252937890 /nfs/dbraw/zinc/93/78/90/1252937890.db2.gz CKVJQMCRXVYDIQ-RBUKOAKNSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001484770338 1252937898 /nfs/dbraw/zinc/93/78/98/1252937898.db2.gz CKVJQMCRXVYDIQ-RBUKOAKNSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001484770338 1252937905 /nfs/dbraw/zinc/93/79/05/1252937905.db2.gz CKVJQMCRXVYDIQ-RBUKOAKNSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001273027304 1266188325 /nfs/dbraw/zinc/18/83/25/1266188325.db2.gz RWKOYQXXWOQUPO-JQHSSLGASA-N 2 1 349.906 2.569 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001670922562 1258673546 /nfs/dbraw/zinc/67/35/46/1258673546.db2.gz DGTNADZIEUSJSR-MSOLQXFVSA-N 2 1 333.520 2.607 10 30 EFEEMP C=C(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+](C)C1CCC1 ZINC001670933243 1258754071 /nfs/dbraw/zinc/75/40/71/1258754071.db2.gz RELXMGVTKCTUFX-JLYLLQBASA-N 2 1 333.520 2.939 10 30 EFEEMP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001485921973 1262501708 /nfs/dbraw/zinc/50/17/08/1262501708.db2.gz FYKWQYMMKPCKKG-CRAIPNDOSA-N 2 1 327.488 2.602 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1(C)C ZINC001486236233 1262832804 /nfs/dbraw/zinc/83/28/04/1262832804.db2.gz ONKFKBYZGVKBSM-ZWKOTPCHSA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC1(C)C ZINC001486243354 1262845785 /nfs/dbraw/zinc/84/57/85/1262845785.db2.gz HJUROZCFJTXRJY-HNNXBMFYSA-N 2 1 338.883 2.551 10 30 EFEEMP C#CCC[N@H+](C)CCN(C(=O)C1(C[NH+](C)C)CCCCC1)C(C)C ZINC001486373151 1262972790 /nfs/dbraw/zinc/97/27/90/1262972790.db2.gz PWAAPZISODZNDP-UHFFFAOYSA-N 2 1 335.536 2.691 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C(C)(C)C ZINC001486422542 1263072703 /nfs/dbraw/zinc/07/27/03/1263072703.db2.gz BFZWZJDNAPCRLJ-GJZGRUSLSA-N 2 1 329.916 2.734 10 30 EFEEMP C=CCCCCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001486451016 1263144915 /nfs/dbraw/zinc/14/49/15/1263144915.db2.gz SLLGLIAXIHDYOF-HKUYNNGSSA-N 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C=CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001277275281 1311906020 /nfs/dbraw/zinc/90/60/20/1311906020.db2.gz PKHGFIAXCOVNBW-LJQANCHMSA-N 2 1 347.547 2.855 10 30 EFEEMP C=C(C)C[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001277283662 1311923008 /nfs/dbraw/zinc/92/30/08/1311923008.db2.gz GTRRPUUFAGYKOU-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001277283662 1311923012 /nfs/dbraw/zinc/92/30/12/1311923012.db2.gz GTRRPUUFAGYKOU-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001277283662 1311923014 /nfs/dbraw/zinc/92/30/14/1311923014.db2.gz GTRRPUUFAGYKOU-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001277283663 1311923392 /nfs/dbraw/zinc/92/33/92/1311923392.db2.gz GTRRPUUFAGYKOU-RBUKOAKNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001277283663 1311923393 /nfs/dbraw/zinc/92/33/93/1311923393.db2.gz GTRRPUUFAGYKOU-RBUKOAKNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001277283663 1311923395 /nfs/dbraw/zinc/92/33/95/1311923395.db2.gz GTRRPUUFAGYKOU-RBUKOAKNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001277286392 1311924625 /nfs/dbraw/zinc/92/46/25/1311924625.db2.gz YYVDGLWQEZXXSC-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001277286392 1311924627 /nfs/dbraw/zinc/92/46/27/1311924627.db2.gz YYVDGLWQEZXXSC-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001277286392 1311924629 /nfs/dbraw/zinc/92/46/29/1311924629.db2.gz YYVDGLWQEZXXSC-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001277286030 1311931542 /nfs/dbraw/zinc/93/15/42/1311931542.db2.gz UBKJNTQWPLCYLK-HXUWFJFHSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001277388275 1312098058 /nfs/dbraw/zinc/09/80/58/1312098058.db2.gz JUCHOILNQFONJJ-UHFFFAOYSA-N 2 1 345.531 2.751 10 30 EFEEMP C=CCC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@]1(C)CCCCO1 ZINC000902794649 1312113271 /nfs/dbraw/zinc/11/32/71/1312113271.db2.gz XPLVZRZJPLXKKS-PMACEKPBSA-N 2 1 337.552 2.898 10 30 EFEEMP C=C(C)CC[N@H+](C)C1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001277441126 1312175647 /nfs/dbraw/zinc/17/56/47/1312175647.db2.gz LHOAQAVWKWPMRR-UHFFFAOYSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[NH+]1CCC[C@@]2(CCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001277473899 1312400094 /nfs/dbraw/zinc/40/00/94/1312400094.db2.gz LYPSXKAVHDKYPY-HXUWFJFHSA-N 2 1 335.536 2.999 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001277473899 1312400097 /nfs/dbraw/zinc/40/00/97/1312400097.db2.gz LYPSXKAVHDKYPY-HXUWFJFHSA-N 2 1 335.536 2.999 10 30 EFEEMP 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ZINC001324956547 1329662625 /nfs/dbraw/zinc/66/26/25/1329662625.db2.gz CMTJXYKILPGLJY-XLIONFOSSA-N 2 1 344.503 2.548 10 30 EFEEMP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001324956548 1329662744 /nfs/dbraw/zinc/66/27/44/1329662744.db2.gz CMTJXYKILPGLJY-YLJYHZDGSA-N 2 1 344.503 2.548 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001324956548 1329662745 /nfs/dbraw/zinc/66/27/45/1329662745.db2.gz CMTJXYKILPGLJY-YLJYHZDGSA-N 2 1 344.503 2.548 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001325561419 1329697285 /nfs/dbraw/zinc/69/72/85/1329697285.db2.gz KDSJKPSFRRGVLL-DLBZAZTESA-N 2 1 332.492 2.657 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)c3cccc4nccn43)C[C@H]2C1 ZINC001325752987 1329710617 /nfs/dbraw/zinc/71/06/17/1329710617.db2.gz GOOAJVQBVFBNKB-ZACQAIPSSA-N 2 1 338.455 2.693 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]2C1 ZINC001325761303 1329711191 /nfs/dbraw/zinc/71/11/91/1329711191.db2.gz ISTPRSAZWWDOIG-OKYOBFRVSA-N 2 1 335.536 2.852 10 30 EFEEMP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001325916322 1329723668 /nfs/dbraw/zinc/72/36/68/1329723668.db2.gz HWLDEEQSHDHIPV-WOJBJXKFSA-N 2 1 341.499 2.760 10 30 EFEEMP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+](C)Cc1ccccc1 ZINC001325916322 1329723670 /nfs/dbraw/zinc/72/36/70/1329723670.db2.gz HWLDEEQSHDHIPV-WOJBJXKFSA-N 2 1 341.499 2.760 10 30 EFEEMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)Cc1ccccc1 ZINC001325916322 1329723672 /nfs/dbraw/zinc/72/36/72/1329723672.db2.gz HWLDEEQSHDHIPV-WOJBJXKFSA-N 2 1 341.499 2.760 10 30 EFEEMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)Cc1ccccc1 ZINC001325916322 1329723674 /nfs/dbraw/zinc/72/36/74/1329723674.db2.gz HWLDEEQSHDHIPV-WOJBJXKFSA-N 2 1 341.499 2.760 10 30 EFEEMP C=CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001327212973 1330443227 /nfs/dbraw/zinc/44/32/27/1330443227.db2.gz MTLGVFKAFSWSCJ-GOSISDBHSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001327212973 1330443229 /nfs/dbraw/zinc/44/32/29/1330443229.db2.gz MTLGVFKAFSWSCJ-GOSISDBHSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001327212973 1330443233 /nfs/dbraw/zinc/44/32/33/1330443233.db2.gz MTLGVFKAFSWSCJ-GOSISDBHSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001327307399 1330456539 /nfs/dbraw/zinc/45/65/39/1330456539.db2.gz CEHRSJDNOCXAGB-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001327307399 1330456542 /nfs/dbraw/zinc/45/65/42/1330456542.db2.gz CEHRSJDNOCXAGB-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001327307399 1330456545 /nfs/dbraw/zinc/45/65/45/1330456545.db2.gz CEHRSJDNOCXAGB-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001327456180 1330481602 /nfs/dbraw/zinc/48/16/02/1330481602.db2.gz XZGCRXDPZBHEST-LJQANCHMSA-N 2 1 345.531 2.778 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001327528881 1330495483 /nfs/dbraw/zinc/49/54/83/1330495483.db2.gz DCPSXJFHGLYSDB-XLIONFOSSA-N 2 1 344.503 2.861 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001327528881 1330495485 /nfs/dbraw/zinc/49/54/85/1330495485.db2.gz DCPSXJFHGLYSDB-XLIONFOSSA-N 2 1 344.503 2.861 10 30 EFEEMP C=CCCC[N@H+](CC)CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001328577421 1330604490 /nfs/dbraw/zinc/60/44/90/1330604490.db2.gz GAKLQMGPESDOBH-UHFFFAOYSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001328737767 1330624207 /nfs/dbraw/zinc/62/42/07/1330624207.db2.gz QFAVOBIXZQGYSB-IAGOWNOFSA-N 2 1 332.492 2.896 10 30 EFEEMP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001328737767 1330624209 /nfs/dbraw/zinc/62/42/09/1330624209.db2.gz QFAVOBIXZQGYSB-IAGOWNOFSA-N 2 1 332.492 2.896 10 30 EFEEMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001329203472 1330680517 /nfs/dbraw/zinc/68/05/17/1330680517.db2.gz SXPKKQXDVCADOV-HZPDHXFCSA-N 2 1 349.906 2.515 10 30 EFEEMP C=CCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001329335359 1330695222 /nfs/dbraw/zinc/69/52/22/1330695222.db2.gz LSAAFASFUQMNBF-QGZVFWFLSA-N 2 1 346.519 2.794 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001330364454 1330762845 /nfs/dbraw/zinc/76/28/45/1330762845.db2.gz NBVNUDSGPSGGLD-MKXGPGLRSA-N 2 1 333.520 2.511 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001331038487 1330786455 /nfs/dbraw/zinc/78/64/55/1330786455.db2.gz HHJMNBWLNSMHOO-SQNIBIBYSA-N 2 1 335.536 2.994 10 30 EFEEMP C=CCC[C@@H](C)[NH+](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001331038487 1330786458 /nfs/dbraw/zinc/78/64/58/1330786458.db2.gz HHJMNBWLNSMHOO-SQNIBIBYSA-N 2 1 335.536 2.994 10 30 EFEEMP C=CCC[C@@H](C)[NH+](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001331038487 1330786460 /nfs/dbraw/zinc/78/64/60/1330786460.db2.gz HHJMNBWLNSMHOO-SQNIBIBYSA-N 2 1 335.536 2.994 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]([NH2+]CC1=CCCCC1)C(C)C ZINC001331202455 1330805586 /nfs/dbraw/zinc/80/55/86/1330805586.db2.gz IGKCAYFKBSXREM-UXHICEINSA-N 2 1 345.531 2.705 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]([NH2+]CC1=CCCCC1)C(C)C ZINC001331202455 1330805588 /nfs/dbraw/zinc/80/55/88/1330805588.db2.gz IGKCAYFKBSXREM-UXHICEINSA-N 2 1 345.531 2.705 10 30 EFEEMP C=CCCC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001332089821 1330916488 /nfs/dbraw/zinc/91/64/88/1330916488.db2.gz KSKQESZMWAJFAE-XFKSJGNHSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001332089821 1330916490 /nfs/dbraw/zinc/91/64/90/1330916490.db2.gz KSKQESZMWAJFAE-XFKSJGNHSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001332089821 1330916493 /nfs/dbraw/zinc/91/64/93/1330916493.db2.gz KSKQESZMWAJFAE-XFKSJGNHSA-N 2 1 333.520 2.796 10 30 EFEEMP CC#CC[N@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C3CCCCC3)CCC[C@@H]12 ZINC001332101297 1330920323 /nfs/dbraw/zinc/92/03/23/1330920323.db2.gz SXPJDTUNRWGNOK-CTNGQTDRSA-N 2 1 345.531 2.778 10 30 EFEEMP CC#CC[NH+]1CC[C@@]2(NC(=O)CC[N@H+](C)C3CCCCC3)CCC[C@@H]12 ZINC001332101297 1330920324 /nfs/dbraw/zinc/92/03/24/1330920324.db2.gz SXPJDTUNRWGNOK-CTNGQTDRSA-N 2 1 345.531 2.778 10 30 EFEEMP CC#CC[NH+]1CC[C@@]2(NC(=O)CC[N@@H+](C)C3CCCCC3)CCC[C@@H]12 ZINC001332101297 1330920325 /nfs/dbraw/zinc/92/03/25/1330920325.db2.gz SXPJDTUNRWGNOK-CTNGQTDRSA-N 2 1 345.531 2.778 10 30 EFEEMP C=CCCC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001333363166 1331125099 /nfs/dbraw/zinc/12/50/99/1331125099.db2.gz AAJYFHIKYYUCSS-RTBURBONSA-N 2 1 331.504 2.718 10 30 EFEEMP C=CCCC[NH+]1CC=C(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001333363166 1331125102 /nfs/dbraw/zinc/12/51/02/1331125102.db2.gz AAJYFHIKYYUCSS-RTBURBONSA-N 2 1 331.504 2.718 10 30 EFEEMP C=CCCC[NH+]1CC=C(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001333363166 1331125105 /nfs/dbraw/zinc/12/51/05/1331125105.db2.gz AAJYFHIKYYUCSS-RTBURBONSA-N 2 1 331.504 2.718 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001333456365 1331148058 /nfs/dbraw/zinc/14/80/58/1331148058.db2.gz CCRPEJMXIWWXOV-IEBWSBKVSA-N 2 1 333.520 2.964 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001333456363 1331148100 /nfs/dbraw/zinc/14/81/00/1331148100.db2.gz CCRPEJMXIWWXOV-HKUYNNGSSA-N 2 1 333.520 2.964 10 30 EFEEMP C=CCCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)c(F)c1 ZINC001333471559 1331151039 /nfs/dbraw/zinc/15/10/39/1331151039.db2.gz NZZIBWUEQXKJNU-SFHVURJKSA-N 2 1 333.451 2.592 10 30 EFEEMP C[NH+](C)CCOc1ccccc1-c1noc([C@@H]([NH3+])CCCCC#N)n1 ZINC000848623344 1334815805 /nfs/dbraw/zinc/81/58/05/1334815805.db2.gz IIXZQPVOEXVPEX-HNNXBMFYSA-N 2 1 343.431 2.761 10 30 EFEEMP C=CC[NH+](CC=C)[C@@H](CNC(=O)c1csc([C@@H](C)[NH3+])n1)C(C)C ZINC001357362729 1335305284 /nfs/dbraw/zinc/30/52/84/1335305284.db2.gz UHJIMQNEMHRMOS-HIFRSBDPSA-N 2 1 336.505 2.591 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001366877672 1338151982 /nfs/dbraw/zinc/15/19/82/1338151982.db2.gz YYMZCTVCLQPKGR-IAGOWNOFSA-N 2 1 341.927 2.640 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001368417116 1339350839 /nfs/dbraw/zinc/35/08/39/1339350839.db2.gz WDNBBASKIRNHIJ-RHSMWYFYSA-N 2 1 335.879 2.658 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001368794951 1339725429 /nfs/dbraw/zinc/72/54/29/1339725429.db2.gz HSIKWHHYOOXRIU-OAHLLOKOSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001368794951 1339725431 /nfs/dbraw/zinc/72/54/31/1339725431.db2.gz HSIKWHHYOOXRIU-OAHLLOKOSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001376028812 1343270226 /nfs/dbraw/zinc/27/02/26/1343270226.db2.gz VJARGINHXVYGQG-QGZVFWFLSA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001376565885 1343683009 /nfs/dbraw/zinc/68/30/09/1343683009.db2.gz GREIHCRPRIOTEJ-FUHWJXTLSA-N 2 1 349.906 2.870 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC(C)(C)C1 ZINC001388839191 1353078814 /nfs/dbraw/zinc/07/88/14/1353078814.db2.gz NWSPTUPIOGGIGA-JKSUJKDBSA-N 2 1 343.943 2.932 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001390148929 1353862856 /nfs/dbraw/zinc/86/28/56/1353862856.db2.gz GUKMWMBRQKVFHK-IRXDYDNUSA-N 2 1 341.927 2.973 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001390171480 1353890554 /nfs/dbraw/zinc/89/05/54/1353890554.db2.gz UTQIHKSDCSKRES-IAGOWNOFSA-N 2 1 341.927 2.925 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001390171480 1353890558 /nfs/dbraw/zinc/89/05/58/1353890558.db2.gz UTQIHKSDCSKRES-IAGOWNOFSA-N 2 1 341.927 2.925 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001390171480 1353890561 /nfs/dbraw/zinc/89/05/61/1353890561.db2.gz UTQIHKSDCSKRES-IAGOWNOFSA-N 2 1 341.927 2.925 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001390171480 1353890564 /nfs/dbraw/zinc/89/05/64/1353890564.db2.gz UTQIHKSDCSKRES-IAGOWNOFSA-N 2 1 341.927 2.925 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001391122202 1354827201 /nfs/dbraw/zinc/82/72/01/1354827201.db2.gz ZQGYBIYHPHAQRW-IAGOWNOFSA-N 2 1 341.927 2.688 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001391122202 1354827205 /nfs/dbraw/zinc/82/72/05/1354827205.db2.gz ZQGYBIYHPHAQRW-IAGOWNOFSA-N 2 1 341.927 2.688 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001391122195 1354827314 /nfs/dbraw/zinc/82/73/14/1354827314.db2.gz ZQGYBIYHPHAQRW-DLBZAZTESA-N 2 1 341.927 2.688 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001391122195 1354827319 /nfs/dbraw/zinc/82/73/19/1354827319.db2.gz ZQGYBIYHPHAQRW-DLBZAZTESA-N 2 1 341.927 2.688 10 30 EFEEMP C=C(Cl)CN[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001391254508 1354976755 /nfs/dbraw/zinc/97/67/55/1354976755.db2.gz CGLVCJHVADUWDK-RYQLBKOJSA-N 2 1 349.906 2.916 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001391254508 1354976756 /nfs/dbraw/zinc/97/67/56/1354976756.db2.gz CGLVCJHVADUWDK-RYQLBKOJSA-N 2 1 349.906 2.916 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001391254508 1354976758 /nfs/dbraw/zinc/97/67/58/1354976758.db2.gz CGLVCJHVADUWDK-RYQLBKOJSA-N 2 1 349.906 2.916 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCCCC1 ZINC001392166102 1355820006 /nfs/dbraw/zinc/82/00/06/1355820006.db2.gz NDQLABDOYHNVMJ-OIISXLGYSA-N 2 1 341.927 2.734 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+](C)CCC)C2 ZINC001393086723 1356580496 /nfs/dbraw/zinc/58/04/96/1356580496.db2.gz HBZYIPKQPQMWKU-GOSISDBHSA-N 2 1 341.927 2.785 10 30 EFEEMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001394840912 1358142956 /nfs/dbraw/zinc/14/29/56/1358142956.db2.gz USXUDSUPNLOHBE-GDBMZVCRSA-N 2 1 347.906 2.636 10 30 EFEEMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001394840913 1358143611 /nfs/dbraw/zinc/14/36/11/1358143611.db2.gz USXUDSUPNLOHBE-ZBFHGGJFSA-N 2 1 347.906 2.636 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001397260308 1359792658 /nfs/dbraw/zinc/79/26/58/1359792658.db2.gz AIOBHYWBXXEWSQ-DLBZAZTESA-N 2 1 341.927 2.925 10 30 EFEEMP 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ZINC001506960484 1406505406 /nfs/dbraw/zinc/50/54/06/1406505406.db2.gz JRXCDTSMAOIFRZ-KRWDZBQOSA-N 2 1 344.503 2.643 10 30 EFEEMP C=CCCC[N@H+](C)C1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001506960484 1406505412 /nfs/dbraw/zinc/50/54/12/1406505412.db2.gz JRXCDTSMAOIFRZ-KRWDZBQOSA-N 2 1 344.503 2.643 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+]1CCCC1 ZINC001447036704 1391665689 /nfs/dbraw/zinc/66/56/89/1391665689.db2.gz GUELCWGQWVEFGB-IRXDYDNUSA-N 2 1 339.911 2.680 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+]1CCCC1 ZINC001447036704 1391665695 /nfs/dbraw/zinc/66/56/95/1391665695.db2.gz GUELCWGQWVEFGB-IRXDYDNUSA-N 2 1 339.911 2.680 10 30 EFEEMP C=CC[NH2+]CCC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC001506979193 1406540900 /nfs/dbraw/zinc/54/09/00/1406540900.db2.gz BXYZBUDUSVFBGO-QRQLOZEOSA-N 2 1 329.488 2.740 10 30 EFEEMP C=C(C)C[NH2+]CCC[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001506979237 1406540649 /nfs/dbraw/zinc/54/06/49/1406540649.db2.gz CTQWDIQUPYWTLZ-OALUTQOASA-N 2 1 329.488 2.884 10 30 EFEEMP C=CCCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001507024045 1406605865 /nfs/dbraw/zinc/60/58/65/1406605865.db2.gz SUARSFCBYURBGH-PKOBYXMFSA-N 2 1 344.503 2.547 10 30 EFEEMP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001479301232 1397672688 /nfs/dbraw/zinc/67/26/88/1397672688.db2.gz YSYDBPDTRAJUGM-SCTDSRPQSA-N 2 1 333.520 2.844 10 30 EFEEMP C=CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001479501656 1397739142 /nfs/dbraw/zinc/73/91/42/1397739142.db2.gz LWYYZHCEWHUMMU-RBUKOAKNSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1CC ZINC001479645476 1397759206 /nfs/dbraw/zinc/75/92/06/1397759206.db2.gz QCZJLKDYNYLUSH-ZWKOTPCHSA-N 2 1 333.520 2.798 10 30 EFEEMP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001479695241 1397767162 /nfs/dbraw/zinc/76/71/62/1397767162.db2.gz JOQACLYXGGMAFQ-WOJBJXKFSA-N 2 1 341.499 2.673 10 30 EFEEMP CC#CC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)CC(C)(C)C1 ZINC001479746851 1397805146 /nfs/dbraw/zinc/80/51/46/1397805146.db2.gz WFTHVWUKZMKVTJ-SFHVURJKSA-N 2 1 344.503 2.602 10 30 EFEEMP CC#CC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)CC(C)(C)C1 ZINC001479746851 1397805153 /nfs/dbraw/zinc/80/51/53/1397805153.db2.gz WFTHVWUKZMKVTJ-SFHVURJKSA-N 2 1 344.503 2.602 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)CC2CCCCCC2)CC1 ZINC001479817111 1397912636 /nfs/dbraw/zinc/91/26/36/1397912636.db2.gz ZSPREBSUUJLNFG-UHFFFAOYSA-N 2 1 347.547 2.740 10 30 EFEEMP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001479962123 1398048409 /nfs/dbraw/zinc/04/84/09/1398048409.db2.gz WENOVPLFUMTJOB-ZWKOTPCHSA-N 2 1 346.519 2.915 10 30 EFEEMP CCCCCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001479962123 1398048416 /nfs/dbraw/zinc/04/84/16/1398048416.db2.gz WENOVPLFUMTJOB-ZWKOTPCHSA-N 2 1 346.519 2.915 10 30 EFEEMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001479989080 1398073557 /nfs/dbraw/zinc/07/35/57/1398073557.db2.gz XNGIHYXRGQBANA-MOPGFXCFSA-N 2 1 341.499 2.836 10 30 EFEEMP C=C(C)C[NH+]1CCC(N(CCC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001479993714 1398078970 /nfs/dbraw/zinc/07/89/70/1398078970.db2.gz RHOASFPJMWAREU-RBUKOAKNSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001480086414 1398123082 /nfs/dbraw/zinc/12/30/82/1398123082.db2.gz XVRIGEYVBDAJNI-QFBILLFUSA-N 2 1 339.499 2.555 10 30 EFEEMP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001480086414 1398123087 /nfs/dbraw/zinc/12/30/87/1398123087.db2.gz XVRIGEYVBDAJNI-QFBILLFUSA-N 2 1 339.499 2.555 10 30 EFEEMP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001480086414 1398123092 /nfs/dbraw/zinc/12/30/92/1398123092.db2.gz XVRIGEYVBDAJNI-QFBILLFUSA-N 2 1 339.499 2.555 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001480367529 1398181533 /nfs/dbraw/zinc/18/15/33/1398181533.db2.gz KXFNNXDYIVENJY-HZPDHXFCSA-N 2 1 327.900 2.584 10 30 EFEEMP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001480620272 1398251904 /nfs/dbraw/zinc/25/19/04/1398251904.db2.gz DJMBQFITJJJWOX-ROUUACIJSA-N 2 1 346.519 2.915 10 30 EFEEMP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001480660866 1398268994 /nfs/dbraw/zinc/26/89/94/1398268994.db2.gz JLEVCUWIZWFOQJ-IEBWSBKVSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001480662061 1398269588 /nfs/dbraw/zinc/26/95/88/1398269588.db2.gz RXXBKRPNIKMGER-FHWLQOOXSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001480711339 1398303011 /nfs/dbraw/zinc/30/30/11/1398303011.db2.gz WWLQPWQPMYAZDY-RTBURBONSA-N 2 1 329.488 2.712 10 30 EFEEMP C=CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001480711339 1398303020 /nfs/dbraw/zinc/30/30/20/1398303020.db2.gz WWLQPWQPMYAZDY-RTBURBONSA-N 2 1 329.488 2.712 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@@H]21 ZINC001507364559 1406957530 /nfs/dbraw/zinc/95/75/30/1406957530.db2.gz PFZNFZZOMBXLKK-CEXWTWQISA-N 2 1 335.536 2.901 10 30 EFEEMP CCCCCCC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001493205208 1398530900 /nfs/dbraw/zinc/53/09/00/1398530900.db2.gz CXHOPLYIPCBFEN-MJGOQNOKSA-N 2 1 335.536 2.737 10 30 EFEEMP CCCCCCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001493205206 1398531401 /nfs/dbraw/zinc/53/14/01/1398531401.db2.gz CXHOPLYIPCBFEN-IEBWSBKVSA-N 2 1 335.536 2.737 10 30 EFEEMP CC#CC[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001493832686 1398910781 /nfs/dbraw/zinc/91/07/81/1398910781.db2.gz SCMWGAPQPSMTTI-QGZVFWFLSA-N 2 1 347.547 2.879 10 30 EFEEMP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001493849772 1398921455 /nfs/dbraw/zinc/92/14/55/1398921455.db2.gz KBCWFRHDTNMOAK-QFBILLFUSA-N 2 1 329.488 2.692 10 30 EFEEMP CC#CC[N@@H+](CCCNC(=O)C(C)(C)[NH+](C)C1CCCC1)C(C)C ZINC001493865671 1398935775 /nfs/dbraw/zinc/93/57/75/1398935775.db2.gz VOVXNTQQZOJMRJ-UHFFFAOYSA-N 2 1 335.536 2.879 10 30 EFEEMP CC#CC[NH+](CCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(C)C ZINC001493865671 1398935778 /nfs/dbraw/zinc/93/57/78/1398935778.db2.gz VOVXNTQQZOJMRJ-UHFFFAOYSA-N 2 1 335.536 2.879 10 30 EFEEMP CC#CC[NH+](CCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C(C)C ZINC001493865671 1398935781 /nfs/dbraw/zinc/93/57/81/1398935781.db2.gz VOVXNTQQZOJMRJ-UHFFFAOYSA-N 2 1 335.536 2.879 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCCCCC)[C@H]2C)CC1 ZINC001507388831 1407001017 /nfs/dbraw/zinc/00/10/17/1407001017.db2.gz VDGHMCVPSXRXPD-ICSRJNTNSA-N 2 1 347.547 2.881 10 30 EFEEMP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001495381444 1399928179 /nfs/dbraw/zinc/92/81/79/1399928179.db2.gz XAMJPGOEMYXCRG-AZUAARDMSA-N 2 1 341.499 2.531 10 30 EFEEMP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001495384825 1399930828 /nfs/dbraw/zinc/93/08/28/1399930828.db2.gz FLMXEJLCHLJBMI-ROUUACIJSA-N 2 1 344.503 2.548 10 30 EFEEMP C=CCC[C@H](C)[NH2+]CCC1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001495445268 1399984589 /nfs/dbraw/zinc/98/45/89/1399984589.db2.gz MDMSOKVETZLEJO-INIZCTEOSA-N 2 1 332.492 2.765 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001495465904 1400003712 /nfs/dbraw/zinc/00/37/12/1400003712.db2.gz CUCTURFPHPYQNM-BZSNNMDCSA-N 2 1 344.503 2.737 10 30 EFEEMP C#CCC[NH2+]C1(CNC(=O)CC[N@H+](C)C2CCCCC2)CCCC1 ZINC001495934671 1400364198 /nfs/dbraw/zinc/36/41/98/1400364198.db2.gz IYLGIXCGJAGWNS-UHFFFAOYSA-N 2 1 333.520 2.683 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001496173117 1400517861 /nfs/dbraw/zinc/51/78/61/1400517861.db2.gz YIEXPISRGGQVSO-JQHSSLGASA-N 2 1 349.906 2.521 10 30 EFEEMP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001496288557 1400603681 /nfs/dbraw/zinc/60/36/81/1400603681.db2.gz ODMCIIPABMWPNH-QAPCUYQASA-N 2 1 327.488 2.505 10 30 EFEEMP CC#CC[NH2+]C[C@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C1CCCCC1 ZINC001496313504 1400629711 /nfs/dbraw/zinc/62/97/11/1400629711.db2.gz XGBPUDLHRHHJEU-OALUTQOASA-N 2 1 333.520 2.539 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001496379382 1400687068 /nfs/dbraw/zinc/68/70/68/1400687068.db2.gz YTHZOVCJKFAWPE-QUCCMNQESA-N 2 1 343.515 2.911 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001496379382 1400687073 /nfs/dbraw/zinc/68/70/73/1400687073.db2.gz YTHZOVCJKFAWPE-QUCCMNQESA-N 2 1 343.515 2.911 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001496379379 1400687461 /nfs/dbraw/zinc/68/74/61/1400687461.db2.gz YTHZOVCJKFAWPE-ICSRJNTNSA-N 2 1 343.515 2.911 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001496379379 1400687469 /nfs/dbraw/zinc/68/74/69/1400687469.db2.gz YTHZOVCJKFAWPE-ICSRJNTNSA-N 2 1 343.515 2.911 10 30 EFEEMP C=CCCC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001496504391 1400778973 /nfs/dbraw/zinc/77/89/73/1400778973.db2.gz DNTISIKXXKFYQZ-LJQANCHMSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[NH+](C)CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001496504391 1400778978 /nfs/dbraw/zinc/77/89/78/1400778978.db2.gz DNTISIKXXKFYQZ-LJQANCHMSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[NH+](C)CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001496504391 1400778987 /nfs/dbraw/zinc/77/89/87/1400778987.db2.gz DNTISIKXXKFYQZ-LJQANCHMSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[N@H+](C)CCC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001496504972 1400780422 /nfs/dbraw/zinc/78/04/22/1400780422.db2.gz ZBRHUMHXNODDMM-UHFFFAOYSA-N 2 1 335.536 2.997 10 30 EFEEMP C#CC[N@H+](C)CCC1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001496506862 1400783028 /nfs/dbraw/zinc/78/30/28/1400783028.db2.gz XDSSHRJBDGZVMQ-UHFFFAOYSA-N 2 1 347.547 2.692 10 30 EFEEMP C#CCC[N@H+](C)CCC1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001496508165 1400783673 /nfs/dbraw/zinc/78/36/73/1400783673.db2.gz HGZHXYKTNPSSDP-UHFFFAOYSA-N 2 1 335.536 2.548 10 30 EFEEMP C#CCC[NH+](C)CCC1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001496508165 1400783675 /nfs/dbraw/zinc/78/36/75/1400783675.db2.gz HGZHXYKTNPSSDP-UHFFFAOYSA-N 2 1 335.536 2.548 10 30 EFEEMP C#CCC[NH+](C)CCC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001496508165 1400783677 /nfs/dbraw/zinc/78/36/77/1400783677.db2.gz HGZHXYKTNPSSDP-UHFFFAOYSA-N 2 1 335.536 2.548 10 30 EFEEMP CC#CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001496512374 1400787059 /nfs/dbraw/zinc/78/70/59/1400787059.db2.gz FUNZZYOMCQACLK-VQTJNVASSA-N 2 1 347.547 2.691 10 30 EFEEMP C=CC[N@H+](C)CCN(C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C(C)C ZINC001507834767 1407177354 /nfs/dbraw/zinc/17/73/54/1407177354.db2.gz ZPELJUPXLIRJRE-GOSISDBHSA-N 2 1 327.488 2.554 10 30 EFEEMP C=CC[NH+](C)CCN(C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C(C)C ZINC001507834767 1407177359 /nfs/dbraw/zinc/17/73/59/1407177359.db2.gz ZPELJUPXLIRJRE-GOSISDBHSA-N 2 1 327.488 2.554 10 30 EFEEMP C=CC[NH+](C)CCN(C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001507834767 1407177363 /nfs/dbraw/zinc/17/73/63/1407177363.db2.gz ZPELJUPXLIRJRE-GOSISDBHSA-N 2 1 327.488 2.554 10 30 EFEEMP CCCCCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001499049000 1402444270 /nfs/dbraw/zinc/44/42/70/1402444270.db2.gz STIWKABUCAVTAE-ZWKOTPCHSA-N 2 1 346.519 2.915 10 30 EFEEMP CCCCCCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001499049000 1402444273 /nfs/dbraw/zinc/44/42/73/1402444273.db2.gz STIWKABUCAVTAE-ZWKOTPCHSA-N 2 1 346.519 2.915 10 30 EFEEMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001499228171 1402529482 /nfs/dbraw/zinc/52/94/82/1402529482.db2.gz DYGNIYZYGOOKLE-KRWDZBQOSA-N 2 1 333.520 2.846 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2cncn2C)C1 ZINC001499480695 1402635177 /nfs/dbraw/zinc/63/51/77/1402635177.db2.gz INGBBUBRRWUXFE-PKOBYXMFSA-N 2 1 344.503 2.632 10 30 EFEEMP CCCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)C1 ZINC001499515163 1402652240 /nfs/dbraw/zinc/65/22/40/1402652240.db2.gz QFQJLBFVNGMQDQ-OTWHNJEPSA-N 2 1 335.536 2.974 10 30 EFEEMP CCCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001499515163 1402652242 /nfs/dbraw/zinc/65/22/42/1402652242.db2.gz QFQJLBFVNGMQDQ-OTWHNJEPSA-N 2 1 335.536 2.974 10 30 EFEEMP CCCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001499515163 1402652245 /nfs/dbraw/zinc/65/22/45/1402652245.db2.gz QFQJLBFVNGMQDQ-OTWHNJEPSA-N 2 1 335.536 2.974 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001499573185 1402692535 /nfs/dbraw/zinc/69/25/35/1402692535.db2.gz BADTXINQBSPDPR-FQEVSTJZSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001499573185 1402692538 /nfs/dbraw/zinc/69/25/38/1402692538.db2.gz BADTXINQBSPDPR-FQEVSTJZSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001499573185 1402692541 /nfs/dbraw/zinc/69/25/41/1402692541.db2.gz BADTXINQBSPDPR-FQEVSTJZSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001499601906 1402710863 /nfs/dbraw/zinc/71/08/63/1402710863.db2.gz FVSADFZAIYPUQO-MJGOQNOKSA-N 2 1 339.499 2.557 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001499610640 1402715958 /nfs/dbraw/zinc/71/59/58/1402715958.db2.gz QZFHHVSJWASFLR-AZUAARDMSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001499620203 1402724321 /nfs/dbraw/zinc/72/43/21/1402724321.db2.gz SZNIRRATNYBLAA-CTNGQTDRSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001499756350 1402772282 /nfs/dbraw/zinc/77/22/82/1402772282.db2.gz NFCFPJRHLDHJDK-MJGOQNOKSA-N 2 1 333.520 2.892 10 30 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ZINC001565882861 1415442830 /nfs/dbraw/zinc/44/28/30/1415442830.db2.gz OWAXZQWCAPAWOO-HSALFYBXSA-N 2 1 341.499 2.631 10 30 EFEEMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001565882861 1415442831 /nfs/dbraw/zinc/44/28/31/1415442831.db2.gz OWAXZQWCAPAWOO-HSALFYBXSA-N 2 1 341.499 2.631 10 30 EFEEMP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001565894614 1415445329 /nfs/dbraw/zinc/44/53/29/1415445329.db2.gz MBAQFBHBXBXQIV-GBESFXJTSA-N 2 1 345.531 2.539 10 30 EFEEMP C=C(Cl)C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)C(C)C ZINC001565943310 1415461452 /nfs/dbraw/zinc/46/14/52/1415461452.db2.gz OZYNLWXPNAQQDR-GOEBONIOSA-N 2 1 329.916 2.686 10 30 EFEEMP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001565971594 1415466471 /nfs/dbraw/zinc/46/64/71/1415466471.db2.gz FREPFIQFELVOFC-AYBZRNKSSA-N 2 1 344.503 2.547 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1ncc[nH]1 ZINC001565994738 1415475148 /nfs/dbraw/zinc/47/51/48/1415475148.db2.gz JWRHWNZGXBVUAO-FHLIZLRMSA-N 2 1 330.476 2.524 10 30 EFEEMP C=CCC[C@@H](C)[NH2+][C@@H]1CCCCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001566072366 1415503767 /nfs/dbraw/zinc/50/37/67/1415503767.db2.gz XZLHOFGOCBTDBR-SJLPKXTDSA-N 2 1 332.492 2.907 10 30 EFEEMP C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001566121273 1415520080 /nfs/dbraw/zinc/52/00/80/1415520080.db2.gz APPWNJQCKZGTEI-SFHVURJKSA-N 2 1 338.455 2.593 10 30 EFEEMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001566692199 1415733787 /nfs/dbraw/zinc/73/37/87/1415733787.db2.gz CAIFRUXAHDMGRI-KRWDZBQOSA-N 2 1 330.476 2.519 10 30 EFEEMP C=CC[NH+]1CCC(N(CCC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001566700361 1415739312 /nfs/dbraw/zinc/73/93/12/1415739312.db2.gz YBIIZDIQOIMRRV-KRWDZBQOSA-N 2 1 344.503 2.643 10 30 EFEEMP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C1CC1 ZINC001566719470 1415745597 /nfs/dbraw/zinc/74/55/97/1415745597.db2.gz LJNZPRLKOSZOEO-RTBURBONSA-N 2 1 333.520 2.844 10 30 EFEEMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001566741629 1415755087 /nfs/dbraw/zinc/75/50/87/1415755087.db2.gz GYBGGILRJBHRBY-SFHVURJKSA-N 2 1 343.515 2.761 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)CCc2cncn2C)C1 ZINC001566746555 1415759509 /nfs/dbraw/zinc/75/95/09/1415759509.db2.gz KWSQGRKUWCMIOS-MSOLQXFVSA-N 2 1 346.519 2.878 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001566895332 1415828387 /nfs/dbraw/zinc/82/83/87/1415828387.db2.gz GTYGCOPIPBPIII-IEBWSBKVSA-N 2 1 333.520 2.798 10 30 EFEEMP C#CCC[NH+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001566962973 1415876685 /nfs/dbraw/zinc/87/66/85/1415876685.db2.gz OHCOVGDHSKSAHS-ZWKOTPCHSA-N 2 1 347.547 2.879 10 30 EFEEMP C#CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001566962973 1415876687 /nfs/dbraw/zinc/87/66/87/1415876687.db2.gz OHCOVGDHSKSAHS-ZWKOTPCHSA-N 2 1 347.547 2.879 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001566962973 1415876690 /nfs/dbraw/zinc/87/66/90/1415876690.db2.gz OHCOVGDHSKSAHS-ZWKOTPCHSA-N 2 1 347.547 2.879 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001567124587 1415942343 /nfs/dbraw/zinc/94/23/43/1415942343.db2.gz JZPDDBZNLDWXNB-MSOLQXFVSA-N 2 1 333.520 2.655 10 30 EFEEMP CC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001567169750 1415967267 /nfs/dbraw/zinc/96/72/67/1415967267.db2.gz RKCAUMRNZZUBKZ-MSOLQXFVSA-N 2 1 333.520 2.681 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001567173745 1415969480 /nfs/dbraw/zinc/96/94/80/1415969480.db2.gz WSFLFAASJVIESL-IRXDYDNUSA-N 2 1 332.492 2.990 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001567173744 1415969782 /nfs/dbraw/zinc/96/97/82/1415969782.db2.gz WSFLFAASJVIESL-IAGOWNOFSA-N 2 1 332.492 2.990 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001567256328 1416028704 /nfs/dbraw/zinc/02/87/04/1416028704.db2.gz FRPFVXZEJGRTAN-IBGZPJMESA-N 2 1 347.547 2.883 10 30 EFEEMP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001567263708 1416041041 /nfs/dbraw/zinc/04/10/41/1416041041.db2.gz ZUNIKYWQEYAWKN-RTBURBONSA-N 2 1 333.520 2.633 10 30 EFEEMP CC#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001567263708 1416041047 /nfs/dbraw/zinc/04/10/47/1416041047.db2.gz ZUNIKYWQEYAWKN-RTBURBONSA-N 2 1 333.520 2.633 10 30 EFEEMP CC#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001567263708 1416041051 /nfs/dbraw/zinc/04/10/51/1416041051.db2.gz ZUNIKYWQEYAWKN-RTBURBONSA-N 2 1 333.520 2.633 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001567267394 1416046347 /nfs/dbraw/zinc/04/63/47/1416046347.db2.gz XBLHZJIPKOKNFE-HXUWFJFHSA-N 2 1 341.499 2.746 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001567286281 1416056580 /nfs/dbraw/zinc/05/65/80/1416056580.db2.gz CNCDXUUQUJQXKD-QAPCUYQASA-N 2 1 347.890 2.547 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001567286281 1416056585 /nfs/dbraw/zinc/05/65/85/1416056585.db2.gz CNCDXUUQUJQXKD-QAPCUYQASA-N 2 1 347.890 2.547 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001567286281 1416056592 /nfs/dbraw/zinc/05/65/92/1416056592.db2.gz CNCDXUUQUJQXKD-QAPCUYQASA-N 2 1 347.890 2.547 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001567286281 1416056599 /nfs/dbraw/zinc/05/65/99/1416056599.db2.gz CNCDXUUQUJQXKD-QAPCUYQASA-N 2 1 347.890 2.547 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001567416440 1416126728 /nfs/dbraw/zinc/12/67/28/1416126728.db2.gz ZPKOHCIKYGKMMC-ZWKOTPCHSA-N 2 1 335.536 2.900 10 30 EFEEMP CC#CC[NH2+][C@H](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001567625402 1416215041 /nfs/dbraw/zinc/21/50/41/1416215041.db2.gz ULQVXDJAKCVSNY-IAGOWNOFSA-N 2 1 344.503 2.637 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CCC(C)(C)C)C(C)C ZINC001567643240 1416225609 /nfs/dbraw/zinc/22/56/09/1416225609.db2.gz JPRNNHGISBHPPW-SFHVURJKSA-N 2 1 335.536 2.737 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CCC(C)(C)C)C(C)C ZINC001567643240 1416225611 /nfs/dbraw/zinc/22/56/11/1416225611.db2.gz JPRNNHGISBHPPW-SFHVURJKSA-N 2 1 335.536 2.737 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CCC(C)(C)C)C(C)C ZINC001567643240 1416225614 /nfs/dbraw/zinc/22/56/14/1416225614.db2.gz JPRNNHGISBHPPW-SFHVURJKSA-N 2 1 335.536 2.737 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CCC(C)(C)C)C(C)C ZINC001567643240 1416225619 /nfs/dbraw/zinc/22/56/19/1416225619.db2.gz JPRNNHGISBHPPW-SFHVURJKSA-N 2 1 335.536 2.737 10 30 EFEEMP C=CC[NH2+][C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC001567666282 1416238524 /nfs/dbraw/zinc/23/85/24/1416238524.db2.gz WUMOEXRQGUERBS-VQTJNVASSA-N 2 1 337.467 2.922 10 30 EFEEMP C=CC[NH+]1CC[C@@H](CCNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001567713159 1416258530 /nfs/dbraw/zinc/25/85/30/1416258530.db2.gz XTYKVLLIGLCGRW-MJGOQNOKSA-N 2 1 329.488 2.694 10 30 EFEEMP C=CC[N@H+]1CC[C@@H](CCNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001567713159 1416258531 /nfs/dbraw/zinc/25/85/31/1416258531.db2.gz XTYKVLLIGLCGRW-MJGOQNOKSA-N 2 1 329.488 2.694 10 30 EFEEMP C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001567713159 1416258532 /nfs/dbraw/zinc/25/85/32/1416258532.db2.gz XTYKVLLIGLCGRW-MJGOQNOKSA-N 2 1 329.488 2.694 10 30 EFEEMP C=CCCCCC[N@H+](C)CC1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001567741285 1416266893 /nfs/dbraw/zinc/26/68/93/1416266893.db2.gz DXQQQTLKKUTNTG-GOSISDBHSA-N 2 1 333.520 2.609 10 30 EFEEMP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001568061774 1416386710 /nfs/dbraw/zinc/38/67/10/1416386710.db2.gz PANODYVGDMMZKD-SFHVURJKSA-N 2 1 347.547 2.881 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]C[C@@H](C)CC)cc1 ZINC001568118485 1416416116 /nfs/dbraw/zinc/41/61/16/1416416116.db2.gz USSRYQVUTKDYLO-PXNSSMCTSA-N 2 1 341.499 2.536 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]C[C@@H](C)CC)cc1 ZINC001568118485 1416416119 /nfs/dbraw/zinc/41/61/19/1416416119.db2.gz USSRYQVUTKDYLO-PXNSSMCTSA-N 2 1 341.499 2.536 10 30 EFEEMP C=C(C)C[NH+]1CCC(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001568127063 1416420171 /nfs/dbraw/zinc/42/01/71/1416420171.db2.gz ZJORUIOGJQYEQO-OALUTQOASA-N 2 1 333.520 2.798 10 30 EFEEMP C=C(C)C[NH+]1CCC(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001568127062 1416420205 /nfs/dbraw/zinc/42/02/05/1416420205.db2.gz ZJORUIOGJQYEQO-MOPGFXCFSA-N 2 1 333.520 2.798 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CCCCCC)C2)CC1 ZINC001568250634 1416455299 /nfs/dbraw/zinc/45/52/99/1416455299.db2.gz OAKJKTPKTFIMGI-IBGZPJMESA-N 2 1 345.531 2.589 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CCCCCC)C2)CC1 ZINC001568250634 1416455301 /nfs/dbraw/zinc/45/53/01/1416455301.db2.gz OAKJKTPKTFIMGI-IBGZPJMESA-N 2 1 345.531 2.589 10 30 EFEEMP C=CCCCCC[NH+]1CC2(C1)CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)CC2 ZINC001568252832 1416456539 /nfs/dbraw/zinc/45/65/39/1416456539.db2.gz REDXXKHKMFZRAN-IBGZPJMESA-N 2 1 347.547 2.999 10 30 EFEEMP C=C(C)CC[N@@H+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001690009426 1417129973 /nfs/dbraw/zinc/12/99/73/1417129973.db2.gz VXQDMCYEWXBZMA-MOPGFXCFSA-N 2 1 333.520 2.940 10 30 EFEEMP C=C(C)CC[NH+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)C1CC1 ZINC001690009426 1417129977 /nfs/dbraw/zinc/12/99/77/1417129977.db2.gz VXQDMCYEWXBZMA-MOPGFXCFSA-N 2 1 333.520 2.940 10 30 EFEEMP C=C(C)CC[NH+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)C1CC1 ZINC001690009426 1417129983 /nfs/dbraw/zinc/12/99/83/1417129983.db2.gz VXQDMCYEWXBZMA-MOPGFXCFSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001690356618 1417195502 /nfs/dbraw/zinc/19/55/02/1417195502.db2.gz PHMSNZSCMDOPKL-GGXPGOJBSA-N 2 1 339.499 2.790 10 30 EFEEMP CCC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001690640696 1417223628 /nfs/dbraw/zinc/22/36/28/1417223628.db2.gz YSIKIAIAXOYABP-MRXNPFEDSA-N 2 1 349.906 2.518 10 30 EFEEMP C=CC[N@H+](C)CC1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001692017138 1417253567 /nfs/dbraw/zinc/25/35/67/1417253567.db2.gz UMDGYJLDESNOJP-UHFFFAOYSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CC[NH+](C)CC1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001692017138 1417253572 /nfs/dbraw/zinc/25/35/72/1417253572.db2.gz UMDGYJLDESNOJP-UHFFFAOYSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CC[NH+](C)CC1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001692017138 1417253576 /nfs/dbraw/zinc/25/35/76/1417253576.db2.gz UMDGYJLDESNOJP-UHFFFAOYSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H]1CC ZINC001692206210 1417261120 /nfs/dbraw/zinc/26/11/20/1417261120.db2.gz MUQJKKKGOVPPPZ-YTQUADARSA-N 2 1 344.503 2.689 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H]1CC ZINC001692206210 1417261121 /nfs/dbraw/zinc/26/11/21/1417261121.db2.gz MUQJKKKGOVPPPZ-YTQUADARSA-N 2 1 344.503 2.689 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCCCC)C1 ZINC001692322998 1417276556 /nfs/dbraw/zinc/27/65/56/1417276556.db2.gz XSKPXHLMMVPINE-OALUTQOASA-N 2 1 333.520 2.635 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCCCC)C1 ZINC001692322998 1417276559 /nfs/dbraw/zinc/27/65/59/1417276559.db2.gz XSKPXHLMMVPINE-OALUTQOASA-N 2 1 333.520 2.635 10 30 EFEEMP C=CCCC[N@H+](C)CCC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001698951872 1417355386 /nfs/dbraw/zinc/35/53/86/1417355386.db2.gz MDZLKNVWQNDQLC-FQEVSTJZSA-N 2 1 347.547 2.855 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)CC[C@@H]21 ZINC001699022296 1417373355 /nfs/dbraw/zinc/37/33/55/1417373355.db2.gz RPAVBPRXXGAVPQ-MOPGFXCFSA-N 2 1 344.503 2.861 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)CC[C@@H]21 ZINC001699022296 1417373358 /nfs/dbraw/zinc/37/33/58/1417373358.db2.gz RPAVBPRXXGAVPQ-MOPGFXCFSA-N 2 1 344.503 2.861 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)CCC)C1 ZINC001699672992 1417446406 /nfs/dbraw/zinc/44/64/06/1417446406.db2.gz IETCJOMIFDXTGQ-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001699672992 1417446408 /nfs/dbraw/zinc/44/64/08/1417446408.db2.gz IETCJOMIFDXTGQ-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001699672992 1417446409 /nfs/dbraw/zinc/44/64/09/1417446409.db2.gz IETCJOMIFDXTGQ-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)CCCCCC ZINC001699682621 1417449426 /nfs/dbraw/zinc/44/94/26/1417449426.db2.gz PTZUHFUUCKXDIZ-MOPGFXCFSA-N 2 1 333.520 2.587 10 30 EFEEMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CCCCCC ZINC001699682621 1417449427 /nfs/dbraw/zinc/44/94/27/1417449427.db2.gz PTZUHFUUCKXDIZ-MOPGFXCFSA-N 2 1 333.520 2.587 10 30 EFEEMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CCCCCC ZINC001699682621 1417449428 /nfs/dbraw/zinc/44/94/28/1417449428.db2.gz PTZUHFUUCKXDIZ-MOPGFXCFSA-N 2 1 333.520 2.587 10 30 EFEEMP C#CCN(C(=O)C[N@@H+](C)C1CCC1)C1CC[NH+](CCCC(C)C)CC1 ZINC001699781498 1417467944 /nfs/dbraw/zinc/46/79/44/1417467944.db2.gz JCGZTSOETHSGNW-UHFFFAOYSA-N 2 1 347.547 2.833 10 30 EFEEMP C#CCC[NH+]1CCC[C@](C)(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001699868125 1417486457 /nfs/dbraw/zinc/48/64/57/1417486457.db2.gz IULDZEVZSKMTHU-OAQYLSRUSA-N 2 1 347.547 2.881 10 30 EFEEMP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001699868125 1417486460 /nfs/dbraw/zinc/48/64/60/1417486460.db2.gz IULDZEVZSKMTHU-OAQYLSRUSA-N 2 1 347.547 2.881 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001699868125 1417486463 /nfs/dbraw/zinc/48/64/63/1417486463.db2.gz IULDZEVZSKMTHU-OAQYLSRUSA-N 2 1 347.547 2.881 10 30 EFEEMP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001699944104 1417517326 /nfs/dbraw/zinc/51/73/26/1417517326.db2.gz KNSAYEUCEMJESP-ICSRJNTNSA-N 2 1 343.515 2.564 10 30 EFEEMP C=C(Cl)C[NH2+]CCC[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001700709780 1417625565 /nfs/dbraw/zinc/62/55/65/1417625565.db2.gz VTMKNFCVWODEPW-ZWKOTPCHSA-N 2 1 349.906 2.918 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1C ZINC001707246885 1418229063 /nfs/dbraw/zinc/22/90/63/1418229063.db2.gz JUJADFKKWBAXDR-ZBFHGGJFSA-N 2 1 335.517 2.969 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1C ZINC001707246885 1418229069 /nfs/dbraw/zinc/22/90/69/1418229069.db2.gz JUJADFKKWBAXDR-ZBFHGGJFSA-N 2 1 335.517 2.969 10 30 EFEEMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001713132576 1418334954 /nfs/dbraw/zinc/33/49/54/1418334954.db2.gz BJKKRQMHMAKVMV-QUCCMNQESA-N 2 1 345.531 2.587 10 30 EFEEMP C#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001713132576 1418334958 /nfs/dbraw/zinc/33/49/58/1418334958.db2.gz BJKKRQMHMAKVMV-QUCCMNQESA-N 2 1 345.531 2.587 10 30 EFEEMP C#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001713132576 1418334960 /nfs/dbraw/zinc/33/49/60/1418334960.db2.gz BJKKRQMHMAKVMV-QUCCMNQESA-N 2 1 345.531 2.587 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001713278472 1418447776 /nfs/dbraw/zinc/44/77/76/1418447776.db2.gz SHNVBPSLLVMQAF-RBUKOAKNSA-N 2 1 335.536 2.901 10 30 EFEEMP C#CCC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001713287245 1418455503 /nfs/dbraw/zinc/45/55/03/1418455503.db2.gz VILDGLPMFFPROE-VIQWUECVSA-N 2 1 345.531 2.681 10 30 EFEEMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001713396247 1418506080 /nfs/dbraw/zinc/50/60/80/1418506080.db2.gz AOCOFWALBNOKNK-FQEVSTJZSA-N 2 1 343.515 2.903 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC)CCCC(C)(C)C)CC1 ZINC001713497428 1418552053 /nfs/dbraw/zinc/55/20/53/1418552053.db2.gz MONNZEMZQSEZRF-UHFFFAOYSA-N 2 1 335.536 2.596 10 30 EFEEMP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001714138785 1418584257 /nfs/dbraw/zinc/58/42/57/1418584257.db2.gz VNBBOLRXUXCVGU-PMACEKPBSA-N 2 1 341.499 2.673 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001714650727 1418612628 /nfs/dbraw/zinc/61/26/28/1418612628.db2.gz PHAHTYWCOGVJIX-IEBWSBKVSA-N 2 1 329.488 2.694 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001714650727 1418612630 /nfs/dbraw/zinc/61/26/30/1418612630.db2.gz PHAHTYWCOGVJIX-IEBWSBKVSA-N 2 1 329.488 2.694 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001714869128 1418641864 /nfs/dbraw/zinc/64/18/64/1418641864.db2.gz XQJIUTZWNGEQDF-IRXDYDNUSA-N 2 1 332.492 2.801 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001714869128 1418641868 /nfs/dbraw/zinc/64/18/68/1418641868.db2.gz XQJIUTZWNGEQDF-IRXDYDNUSA-N 2 1 332.492 2.801 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001714869126 1418642013 /nfs/dbraw/zinc/64/20/13/1418642013.db2.gz XQJIUTZWNGEQDF-IAGOWNOFSA-N 2 1 332.492 2.801 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001714869126 1418642016 /nfs/dbraw/zinc/64/20/16/1418642016.db2.gz XQJIUTZWNGEQDF-IAGOWNOFSA-N 2 1 332.492 2.801 10 30 EFEEMP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001715142632 1418653981 /nfs/dbraw/zinc/65/39/81/1418653981.db2.gz REORGHRTMGYOKQ-ROUUACIJSA-N 2 1 344.503 2.638 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@@H]21 ZINC001715543909 1418678037 /nfs/dbraw/zinc/67/80/37/1418678037.db2.gz BNUMGDGFQSMAGH-OALUTQOASA-N 2 1 333.520 2.751 10 30 EFEEMP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001716175642 1418714579 /nfs/dbraw/zinc/71/45/79/1418714579.db2.gz UPKACPIRXOKLDL-RLLQIKCJSA-N 2 1 343.515 2.782 10 30 EFEEMP C=C(C)C[NH+](CC1CC1)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001716715259 1418970483 /nfs/dbraw/zinc/97/04/83/1418970483.db2.gz QSIYEBNTQUBKDJ-GOSISDBHSA-N 2 1 333.520 2.607 10 30 EFEEMP C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001716715259 1418970486 /nfs/dbraw/zinc/97/04/86/1418970486.db2.gz QSIYEBNTQUBKDJ-GOSISDBHSA-N 2 1 333.520 2.607 10 30 EFEEMP C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001716715259 1418970489 /nfs/dbraw/zinc/97/04/89/1418970489.db2.gz QSIYEBNTQUBKDJ-GOSISDBHSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CC[N@H+](CC1CC1)C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001716715489 1418970640 /nfs/dbraw/zinc/97/06/40/1418970640.db2.gz XGAKCMFLZLCGPX-UHFFFAOYSA-N 2 1 344.503 2.861 10 30 EFEEMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001716715489 1418970641 /nfs/dbraw/zinc/97/06/41/1418970641.db2.gz XGAKCMFLZLCGPX-UHFFFAOYSA-N 2 1 344.503 2.861 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001716723307 1418974510 /nfs/dbraw/zinc/97/45/10/1418974510.db2.gz DLQRPJABFGYNGG-XLIONFOSSA-N 2 1 344.503 2.861 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001716723307 1418974516 /nfs/dbraw/zinc/97/45/16/1418974516.db2.gz DLQRPJABFGYNGG-XLIONFOSSA-N 2 1 344.503 2.861 10 30 EFEEMP C=CCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001716724211 1418975473 /nfs/dbraw/zinc/97/54/73/1418975473.db2.gz CPNBLSXRQJDFSA-QUCCMNQESA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001716724211 1418975476 /nfs/dbraw/zinc/97/54/76/1418975476.db2.gz CPNBLSXRQJDFSA-QUCCMNQESA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001716724211 1418975478 /nfs/dbraw/zinc/97/54/78/1418975478.db2.gz CPNBLSXRQJDFSA-QUCCMNQESA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001716731881 1418982258 /nfs/dbraw/zinc/98/22/58/1418982258.db2.gz QCZBWMNFMBZREE-MJGOQNOKSA-N 2 1 339.499 2.557 10 30 EFEEMP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001716777751 1419003945 /nfs/dbraw/zinc/00/39/45/1419003945.db2.gz VMFWTLSPAYQOAF-MJGOQNOKSA-N 2 1 333.520 2.798 10 30 EFEEMP C#CCN(C(=O)C[N@H+](C)C1CCC1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001716806789 1419021190 /nfs/dbraw/zinc/02/11/90/1419021190.db2.gz JLUFMDUPQFUCHM-UHFFFAOYSA-N 2 1 347.547 2.833 10 30 EFEEMP C#CCN(C(=O)C[N@H+](C)C(C)C)C1CC[NH+](CC2CCCCC2)CC1 ZINC001716811699 1419024610 /nfs/dbraw/zinc/02/46/10/1419024610.db2.gz JHDOWIDIHRIACF-UHFFFAOYSA-N 2 1 347.547 2.833 10 30 EFEEMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CCCCCCC)CC1 ZINC001716811883 1419025563 /nfs/dbraw/zinc/02/55/63/1419025563.db2.gz QFKSFCXCLFEPQI-LJQANCHMSA-N 2 1 347.547 2.835 10 30 EFEEMP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1CCCC1 ZINC001716822371 1419031967 /nfs/dbraw/zinc/03/19/67/1419031967.db2.gz KTNJUAHXDPIOSP-OALUTQOASA-N 2 1 333.520 2.537 10 30 EFEEMP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C1CCCC1 ZINC001716824913 1419033451 /nfs/dbraw/zinc/03/34/51/1419033451.db2.gz MZGOMCHFRHJYMK-WOJBJXKFSA-N 2 1 341.499 2.577 10 30 EFEEMP CC#CC[NH2+]C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C1CCCC1 ZINC001716824912 1419033767 /nfs/dbraw/zinc/03/37/67/1419033767.db2.gz MZGOMCHFRHJYMK-VQTJNVASSA-N 2 1 341.499 2.577 10 30 EFEEMP C#CCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001716885611 1419074770 /nfs/dbraw/zinc/07/47/70/1419074770.db2.gz XWWIGEAJNTWWGX-LJQANCHMSA-N 2 1 345.531 2.635 10 30 EFEEMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001716900707 1419086732 /nfs/dbraw/zinc/08/67/32/1419086732.db2.gz SHWMGBDFMVAEJU-NRFANRHFSA-N 2 1 341.499 2.603 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CCC[C@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001716901122 1419087154 /nfs/dbraw/zinc/08/71/54/1419087154.db2.gz BIJNFLQDPQUAOS-PKOBYXMFSA-N 2 1 333.520 2.655 10 30 EFEEMP C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001716901897 1419087602 /nfs/dbraw/zinc/08/76/02/1419087602.db2.gz RRPWEKMIFIKWSR-PMACEKPBSA-N 2 1 333.520 2.657 10 30 EFEEMP C=C(C)CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001716901897 1419087605 /nfs/dbraw/zinc/08/76/05/1419087605.db2.gz RRPWEKMIFIKWSR-PMACEKPBSA-N 2 1 333.520 2.657 10 30 EFEEMP C=C(C)CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001716901897 1419087607 /nfs/dbraw/zinc/08/76/07/1419087607.db2.gz RRPWEKMIFIKWSR-PMACEKPBSA-N 2 1 333.520 2.657 10 30 EFEEMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001717000266 1419135274 /nfs/dbraw/zinc/13/52/74/1419135274.db2.gz JZXQPGJAILMTAW-GSEOLPGOSA-N 2 1 341.499 2.835 10 30 EFEEMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001717000266 1419135278 /nfs/dbraw/zinc/13/52/78/1419135278.db2.gz JZXQPGJAILMTAW-GSEOLPGOSA-N 2 1 341.499 2.835 10 30 EFEEMP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001717002447 1419137944 /nfs/dbraw/zinc/13/79/44/1419137944.db2.gz ULABHOOFQYEZLM-UAFMIMERSA-N 2 1 345.531 2.539 10 30 EFEEMP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001717003338 1419138944 /nfs/dbraw/zinc/13/89/44/1419138944.db2.gz VWVJBHLSPWWRKE-GUDVDZBRSA-N 2 1 335.536 2.948 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001717034114 1419165686 /nfs/dbraw/zinc/16/56/86/1419165686.db2.gz ZLMUTLOMXBLQAX-GBESFXJTSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001717034114 1419165690 /nfs/dbraw/zinc/16/56/90/1419165690.db2.gz ZLMUTLOMXBLQAX-GBESFXJTSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001717034114 1419165693 /nfs/dbraw/zinc/16/56/93/1419165693.db2.gz ZLMUTLOMXBLQAX-GBESFXJTSA-N 2 1 333.520 2.892 10 30 EFEEMP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001717106277 1419212010 /nfs/dbraw/zinc/21/20/10/1419212010.db2.gz MFRWGQXHJMDWRT-UYAOXDASSA-N 2 1 341.499 2.531 10 30 EFEEMP C=C(C)CC[N@H+](C)Cc1ccccc1CNC(=O)C12CC[NH+](CC1)C2 ZINC001717115924 1419219778 /nfs/dbraw/zinc/21/97/78/1419219778.db2.gz GWUGFFHHWNTXMJ-UHFFFAOYSA-N 2 1 341.499 2.797 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001717199694 1419261651 /nfs/dbraw/zinc/26/16/51/1419261651.db2.gz RJPKHSPCAJYIHI-HXUWFJFHSA-N 2 1 343.515 2.708 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)CC1 ZINC001717199694 1419261652 /nfs/dbraw/zinc/26/16/52/1419261652.db2.gz RJPKHSPCAJYIHI-HXUWFJFHSA-N 2 1 343.515 2.708 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)CC1 ZINC001717199694 1419261654 /nfs/dbraw/zinc/26/16/54/1419261654.db2.gz RJPKHSPCAJYIHI-HXUWFJFHSA-N 2 1 343.515 2.708 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001717202424 1419263321 /nfs/dbraw/zinc/26/33/21/1419263321.db2.gz RZRXRNPAHZYUQO-MOPGFXCFSA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001717202424 1419263323 /nfs/dbraw/zinc/26/33/23/1419263323.db2.gz RZRXRNPAHZYUQO-MOPGFXCFSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001717216482 1419270101 /nfs/dbraw/zinc/27/01/01/1419270101.db2.gz JIRMXMSYIUMMSU-RBUKOAKNSA-N 2 1 335.536 2.855 10 30 EFEEMP CC#CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001717217731 1419270864 /nfs/dbraw/zinc/27/08/64/1419270864.db2.gz UQXXBYLPKNMEQB-UXHICEINSA-N 2 1 347.547 2.692 10 30 EFEEMP CC#CC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001717217731 1419270860 /nfs/dbraw/zinc/27/08/60/1419270860.db2.gz UQXXBYLPKNMEQB-UXHICEINSA-N 2 1 347.547 2.692 10 30 EFEEMP CC#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001717217731 1419270867 /nfs/dbraw/zinc/27/08/67/1419270867.db2.gz UQXXBYLPKNMEQB-UXHICEINSA-N 2 1 347.547 2.692 10 30 EFEEMP CC#CC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001717217733 1419271078 /nfs/dbraw/zinc/27/10/78/1419271078.db2.gz UQXXBYLPKNMEQB-WOJBJXKFSA-N 2 1 347.547 2.692 10 30 EFEEMP CC#CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001717217733 1419271081 /nfs/dbraw/zinc/27/10/81/1419271081.db2.gz UQXXBYLPKNMEQB-WOJBJXKFSA-N 2 1 347.547 2.692 10 30 EFEEMP CC#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001717217733 1419271085 /nfs/dbraw/zinc/27/10/85/1419271085.db2.gz UQXXBYLPKNMEQB-WOJBJXKFSA-N 2 1 347.547 2.692 10 30 EFEEMP C=C(C)C[NH+]1Cc2ccccc2C[C@H]1CNC(=O)CC[N@H+](C)CCC ZINC001717245015 1419287099 /nfs/dbraw/zinc/28/70/99/1419287099.db2.gz LUCRRJOSUGJMIN-FQEVSTJZSA-N 2 1 343.515 2.838 10 30 EFEEMP C=C(C)C[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001717245015 1419287103 /nfs/dbraw/zinc/28/71/03/1419287103.db2.gz LUCRRJOSUGJMIN-FQEVSTJZSA-N 2 1 343.515 2.838 10 30 EFEEMP C=C(C)C[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001717245015 1419287108 /nfs/dbraw/zinc/28/71/08/1419287108.db2.gz LUCRRJOSUGJMIN-FQEVSTJZSA-N 2 1 343.515 2.838 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC001717309181 1419320675 /nfs/dbraw/zinc/32/06/75/1419320675.db2.gz GZPFIDOZJFGHMK-QZTJIDSGSA-N 2 1 333.520 2.511 10 30 EFEEMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001717309649 1419321753 /nfs/dbraw/zinc/32/17/53/1419321753.db2.gz QMYMGZTZRTYAFE-IAGOWNOFSA-N 2 1 344.503 2.637 10 30 EFEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001717309649 1419321755 /nfs/dbraw/zinc/32/17/55/1419321755.db2.gz QMYMGZTZRTYAFE-IAGOWNOFSA-N 2 1 344.503 2.637 10 30 EFEEMP C=CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001717357631 1419352446 /nfs/dbraw/zinc/35/24/46/1419352446.db2.gz YNLOIWQKCWBAIV-MOPGFXCFSA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001717361190 1419354449 /nfs/dbraw/zinc/35/44/49/1419354449.db2.gz HQWOKLNFTPQIFX-OZOXKJRCSA-N 2 1 341.499 2.666 10 30 EFEEMP C=C(C)CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001717371743 1419364979 /nfs/dbraw/zinc/36/49/79/1419364979.db2.gz VQINVLNLZCQLNE-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001717371743 1419364981 /nfs/dbraw/zinc/36/49/81/1419364981.db2.gz VQINVLNLZCQLNE-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001717371743 1419364983 /nfs/dbraw/zinc/36/49/83/1419364983.db2.gz VQINVLNLZCQLNE-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@H+](C)[C@@H](C)CCC=C)CC1 ZINC001717376570 1419368086 /nfs/dbraw/zinc/36/80/86/1419368086.db2.gz UCCICDXJBDEWOD-AZUAARDMSA-N 2 1 345.531 2.609 10 30 EFEEMP C=CCC[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C(C)(C)C1 ZINC001717584182 1419456174 /nfs/dbraw/zinc/45/61/74/1419456174.db2.gz SAZCWOZUIAGDGN-KRWDZBQOSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)CCc3c[nH]cn3)C2)C1 ZINC001717628698 1419477298 /nfs/dbraw/zinc/47/72/98/1419477298.db2.gz DFTYKSANRRYYJM-INIZCTEOSA-N 2 1 330.476 2.621 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)CCc3cnc[nH]3)C2)C1 ZINC001717628698 1419477299 /nfs/dbraw/zinc/47/72/99/1419477299.db2.gz DFTYKSANRRYYJM-INIZCTEOSA-N 2 1 330.476 2.621 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)CCc3cnc[nH]3)C2)C1 ZINC001717628698 1419477300 /nfs/dbraw/zinc/47/73/00/1419477300.db2.gz DFTYKSANRRYYJM-INIZCTEOSA-N 2 1 330.476 2.621 10 30 EFEEMP C=CCCCCC[NH+]1CCCC2(CN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001717630530 1419478517 /nfs/dbraw/zinc/47/85/17/1419478517.db2.gz UNJQCEGTXBUQJG-UHFFFAOYSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCCCC[N@H+]1CCCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001717630530 1419478518 /nfs/dbraw/zinc/47/85/18/1419478518.db2.gz UNJQCEGTXBUQJG-UHFFFAOYSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCCCC[N@@H+]1CCCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001717630530 1419478522 /nfs/dbraw/zinc/47/85/22/1419478522.db2.gz UNJQCEGTXBUQJG-UHFFFAOYSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@H](C)[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@@]2(C)C1 ZINC001717631276 1419479452 /nfs/dbraw/zinc/47/94/52/1419479452.db2.gz RBVRIIAPMNKOTC-IZZBFERCSA-N 2 1 347.547 2.996 10 30 EFEEMP C=CCC[C@H](C)[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@@]2(C)C1 ZINC001717631276 1419479453 /nfs/dbraw/zinc/47/94/53/1419479453.db2.gz RBVRIIAPMNKOTC-IZZBFERCSA-N 2 1 347.547 2.996 10 30 EFEEMP C=CCC[NH2+]CCC[C@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001717684400 1419504721 /nfs/dbraw/zinc/50/47/21/1419504721.db2.gz LXEBHTALTFUELA-YJBOKZPZSA-N 2 1 327.488 2.650 10 30 EFEEMP C=C(C)CC[N@H+](C)C1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001717700722 1419514896 /nfs/dbraw/zinc/51/48/96/1419514896.db2.gz DPQKCRDZKTXXAP-QGZVFWFLSA-N 2 1 327.488 2.555 10 30 EFEEMP C=CC[NH+](C)C1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001717705973 1419518942 /nfs/dbraw/zinc/51/89/42/1419518942.db2.gz YUXFNHFRBJXHOQ-IBGZPJMESA-N 2 1 329.488 2.788 10 30 EFEEMP C=CC[N@@H+](C)C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001717705973 1419518943 /nfs/dbraw/zinc/51/89/43/1419518943.db2.gz YUXFNHFRBJXHOQ-IBGZPJMESA-N 2 1 329.488 2.788 10 30 EFEEMP C=CC[N@H+](C)C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001717705973 1419518944 /nfs/dbraw/zinc/51/89/44/1419518944.db2.gz YUXFNHFRBJXHOQ-IBGZPJMESA-N 2 1 329.488 2.788 10 30 EFEEMP C=CC[NH+](C)C1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001717705974 1419518965 /nfs/dbraw/zinc/51/89/65/1419518965.db2.gz YUXFNHFRBJXHOQ-LJQANCHMSA-N 2 1 329.488 2.788 10 30 EFEEMP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001717705974 1419518966 /nfs/dbraw/zinc/51/89/66/1419518966.db2.gz YUXFNHFRBJXHOQ-LJQANCHMSA-N 2 1 329.488 2.788 10 30 EFEEMP C=CC[N@H+](C)C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001717705974 1419518967 /nfs/dbraw/zinc/51/89/67/1419518967.db2.gz YUXFNHFRBJXHOQ-LJQANCHMSA-N 2 1 329.488 2.788 10 30 EFEEMP C=CCC[NH2+]C[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C(C)(C)C ZINC001717973873 1419636273 /nfs/dbraw/zinc/63/62/73/1419636273.db2.gz NAMXHVSPEABRMB-ROUUACIJSA-N 2 1 331.504 2.986 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001717978836 1419638861 /nfs/dbraw/zinc/63/88/61/1419638861.db2.gz KYIOQWRGHSAKEM-NSHGMRRFSA-N 2 1 345.531 2.655 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001717978836 1419638863 /nfs/dbraw/zinc/63/88/63/1419638863.db2.gz KYIOQWRGHSAKEM-NSHGMRRFSA-N 2 1 345.531 2.655 10 30 EFEEMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001723551293 1424522009 /nfs/dbraw/zinc/52/20/09/1424522009.db2.gz BYMLPUXRDIGRKJ-GOSISDBHSA-N 2 1 333.520 2.988 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001723605594 1424530785 /nfs/dbraw/zinc/53/07/85/1424530785.db2.gz AFVCEKNABRTJKI-RTBURBONSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001723608672 1424532631 /nfs/dbraw/zinc/53/26/31/1424532631.db2.gz RLEYVBVRCSNNBN-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C#CCC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001723608894 1424533663 /nfs/dbraw/zinc/53/36/63/1424533663.db2.gz SQRRVWUMZXSBRD-OALUTQOASA-N 2 1 347.547 2.691 10 30 EFEEMP C#CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001723608894 1424533665 /nfs/dbraw/zinc/53/36/65/1424533665.db2.gz SQRRVWUMZXSBRD-OALUTQOASA-N 2 1 347.547 2.691 10 30 EFEEMP C#CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001723608894 1424533668 /nfs/dbraw/zinc/53/36/68/1424533668.db2.gz SQRRVWUMZXSBRD-OALUTQOASA-N 2 1 347.547 2.691 10 30 EFEEMP C=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001723609712 1424535427 /nfs/dbraw/zinc/53/54/27/1424535427.db2.gz WGKJMARVSAJVAF-OALUTQOASA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001723610584 1424536881 /nfs/dbraw/zinc/53/68/81/1424536881.db2.gz ZWWIRBYPYPBTRE-RTBURBONSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001723610584 1424536886 /nfs/dbraw/zinc/53/68/86/1424536886.db2.gz ZWWIRBYPYPBTRE-RTBURBONSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001723610584 1424536890 /nfs/dbraw/zinc/53/68/90/1424536890.db2.gz ZWWIRBYPYPBTRE-RTBURBONSA-N 2 1 333.520 2.607 10 30 EFEEMP C=C(C)C[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001723646809 1424545108 /nfs/dbraw/zinc/54/51/08/1424545108.db2.gz BGNXXYOVMWJCKI-VQTJNVASSA-N 2 1 347.547 2.996 10 30 EFEEMP C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001723646809 1424545114 /nfs/dbraw/zinc/54/51/14/1424545114.db2.gz BGNXXYOVMWJCKI-VQTJNVASSA-N 2 1 347.547 2.996 10 30 EFEEMP C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001723646809 1424545123 /nfs/dbraw/zinc/54/51/23/1424545123.db2.gz BGNXXYOVMWJCKI-VQTJNVASSA-N 2 1 347.547 2.996 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCCCC)C2 ZINC001723680837 1424555993 /nfs/dbraw/zinc/55/59/93/1424555993.db2.gz RGFFQUKXOSXCSC-FPOVZHCZSA-N 2 1 345.531 2.589 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCCCC)C2 ZINC001723680837 1424555999 /nfs/dbraw/zinc/55/59/99/1424555999.db2.gz RGFFQUKXOSXCSC-FPOVZHCZSA-N 2 1 345.531 2.589 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CCCCC)C2 ZINC001723680837 1424556006 /nfs/dbraw/zinc/55/60/06/1424556006.db2.gz RGFFQUKXOSXCSC-FPOVZHCZSA-N 2 1 345.531 2.589 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CCCCC)C2 ZINC001723680837 1424556011 /nfs/dbraw/zinc/55/60/11/1424556011.db2.gz RGFFQUKXOSXCSC-FPOVZHCZSA-N 2 1 345.531 2.589 10 30 EFEEMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H](c3ccccc3)[N@H+](C)CC)C2)C1 ZINC001723721577 1424568295 /nfs/dbraw/zinc/56/82/95/1424568295.db2.gz NOMCXBODARTBFW-PZJWPPBQSA-N 2 1 341.499 2.790 10 30 EFEEMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)CC)C2)C1 ZINC001723721577 1424568302 /nfs/dbraw/zinc/56/83/02/1424568302.db2.gz NOMCXBODARTBFW-PZJWPPBQSA-N 2 1 341.499 2.790 10 30 EFEEMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)CC)C2)C1 ZINC001723721577 1424568307 /nfs/dbraw/zinc/56/83/07/1424568307.db2.gz NOMCXBODARTBFW-PZJWPPBQSA-N 2 1 341.499 2.790 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001723727272 1424571371 /nfs/dbraw/zinc/57/13/71/1424571371.db2.gz QPMHOSZICFGBFZ-QUCCMNQESA-N 2 1 335.536 2.997 10 30 EFEEMP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC[NH+](CCC(=C)C)CC1 ZINC001724046177 1424633492 /nfs/dbraw/zinc/63/34/92/1424633492.db2.gz CKKSPVZQTPHGEM-HXUWFJFHSA-N 2 1 345.531 2.752 10 30 EFEEMP C#CCN(C(=O)CC[N@@H+](C)C1CCCCC1)C1CC[NH+](CCC)CC1 ZINC001724054288 1424638517 /nfs/dbraw/zinc/63/85/17/1424638517.db2.gz YQVQPPRKPBNJJT-UHFFFAOYSA-N 2 1 347.547 2.977 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001724126391 1424668691 /nfs/dbraw/zinc/66/86/91/1424668691.db2.gz SGSPQEDITNWABU-NRFANRHFSA-N 2 1 347.547 2.999 10 30 EFEEMP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001724273738 1424719593 /nfs/dbraw/zinc/71/95/93/1424719593.db2.gz RQUGHEWNVFEJKF-AZUAARDMSA-N 2 1 329.488 2.694 10 30 EFEEMP C=CC[NH+]1CCC[C@@](C)(CNC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001724332690 1424738482 /nfs/dbraw/zinc/73/84/82/1424738482.db2.gz JJCPKHFZRJWHCS-NRFANRHFSA-N 2 1 343.515 2.565 10 30 EFEEMP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001724332690 1424738483 /nfs/dbraw/zinc/73/84/83/1424738483.db2.gz JJCPKHFZRJWHCS-NRFANRHFSA-N 2 1 343.515 2.565 10 30 EFEEMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001724332690 1424738485 /nfs/dbraw/zinc/73/84/85/1424738485.db2.gz JJCPKHFZRJWHCS-NRFANRHFSA-N 2 1 343.515 2.565 10 30 EFEEMP C=CCCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001724376434 1424750833 /nfs/dbraw/zinc/75/08/33/1424750833.db2.gz QXTODULVSIBCGZ-JKSUJKDBSA-N 2 1 343.462 2.510 10 30 EFEEMP C=CCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001724376434 1424750839 /nfs/dbraw/zinc/75/08/39/1424750839.db2.gz QXTODULVSIBCGZ-JKSUJKDBSA-N 2 1 343.462 2.510 10 30 EFEEMP C=CCCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001724376434 1424750842 /nfs/dbraw/zinc/75/08/42/1424750842.db2.gz QXTODULVSIBCGZ-JKSUJKDBSA-N 2 1 343.462 2.510 10 30 EFEEMP C=C(C)C[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1C)c1ccccc1CC ZINC001724513246 1424776946 /nfs/dbraw/zinc/77/69/46/1424776946.db2.gz ZUJRXZCWYQTNGI-IBGZPJMESA-N 2 1 340.471 2.777 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001724608019 1424826576 /nfs/dbraw/zinc/82/65/76/1424826576.db2.gz OCBIOKLAOYTDNH-ICSRJNTNSA-N 2 1 343.515 2.769 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001724608019 1424826593 /nfs/dbraw/zinc/82/65/93/1424826593.db2.gz OCBIOKLAOYTDNH-ICSRJNTNSA-N 2 1 343.515 2.769 10 30 EFEEMP C=CCCCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001724649188 1424879985 /nfs/dbraw/zinc/87/99/85/1424879985.db2.gz LJYCZKNSCLVLET-GUDVDZBRSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001724649188 1424879995 /nfs/dbraw/zinc/87/99/95/1424879995.db2.gz LJYCZKNSCLVLET-GUDVDZBRSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001724649188 1424880001 /nfs/dbraw/zinc/88/00/01/1424880001.db2.gz LJYCZKNSCLVLET-GUDVDZBRSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCC[NH+]1CCCC1 ZINC001724653941 1424886175 /nfs/dbraw/zinc/88/61/75/1424886175.db2.gz XADMVNRKYCPSQJ-OALUTQOASA-N 2 1 333.520 2.894 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001724654808 1424887969 /nfs/dbraw/zinc/88/79/69/1424887969.db2.gz JVJTUWJLVHVEAU-QZTJIDSGSA-N 2 1 333.520 2.892 10 30 EFEEMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001724655822 1424891950 /nfs/dbraw/zinc/89/19/50/1424891950.db2.gz MSJOXJNJIPRZEP-RBUKOAKNSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001724659497 1424900505 /nfs/dbraw/zinc/90/05/05/1424900505.db2.gz VNSORSZHMJGIGK-PMACEKPBSA-N 2 1 345.531 2.730 10 30 EFEEMP C#CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001724659497 1424900510 /nfs/dbraw/zinc/90/05/10/1424900510.db2.gz VNSORSZHMJGIGK-PMACEKPBSA-N 2 1 345.531 2.730 10 30 EFEEMP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001724659497 1424900516 /nfs/dbraw/zinc/90/05/16/1424900516.db2.gz VNSORSZHMJGIGK-PMACEKPBSA-N 2 1 345.531 2.730 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001724660197 1424901140 /nfs/dbraw/zinc/90/11/40/1424901140.db2.gz YSVJAJOAHRMZIS-SLFFLAALSA-N 2 1 347.547 2.996 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1C[C@@H]2CCCN(C(=O)CC[N@H+](C)CCC)[C@@H]2C1 ZINC001724660357 1424901182 /nfs/dbraw/zinc/90/11/82/1424901182.db2.gz XKCZSWKGNBHHPO-CEXWTWQISA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)CCC)[C@@H]2C1 ZINC001724660357 1424901184 /nfs/dbraw/zinc/90/11/84/1424901184.db2.gz XKCZSWKGNBHHPO-CEXWTWQISA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)CCC)[C@@H]2C1 ZINC001724660357 1424901186 /nfs/dbraw/zinc/90/11/86/1424901186.db2.gz XKCZSWKGNBHHPO-CEXWTWQISA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001724738552 1424964512 /nfs/dbraw/zinc/96/45/12/1424964512.db2.gz NDPKLGWYHVNTMN-LJQANCHMSA-N 2 1 331.504 2.897 10 30 EFEEMP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001724752477 1424981586 /nfs/dbraw/zinc/98/15/86/1424981586.db2.gz RRJLJFFJFCOXRC-BZSNNMDCSA-N 2 1 344.503 2.595 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001724753719 1424983407 /nfs/dbraw/zinc/98/34/07/1424983407.db2.gz CVZAMZWMBPQRCB-MKXGPGLRSA-N 2 1 333.520 2.844 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001724848991 1425067640 /nfs/dbraw/zinc/06/76/40/1425067640.db2.gz QDCUCVOUBRRESB-GOSISDBHSA-N 2 1 332.492 2.909 10 30 EFEEMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001724848991 1425067646 /nfs/dbraw/zinc/06/76/46/1425067646.db2.gz QDCUCVOUBRRESB-GOSISDBHSA-N 2 1 332.492 2.909 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001724902808 1425122202 /nfs/dbraw/zinc/12/22/02/1425122202.db2.gz YVYHGBCRTJBEEP-HXUWFJFHSA-N 2 1 333.520 2.753 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001724902805 1425122600 /nfs/dbraw/zinc/12/26/00/1425122600.db2.gz YVYHGBCRTJBEEP-FQEVSTJZSA-N 2 1 333.520 2.753 10 30 EFEEMP C=CCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001724970464 1425180770 /nfs/dbraw/zinc/18/07/70/1425180770.db2.gz LAOJRSKQIRJUHT-ROUUACIJSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001724970464 1425180779 /nfs/dbraw/zinc/18/07/79/1425180779.db2.gz LAOJRSKQIRJUHT-ROUUACIJSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001724970464 1425180784 /nfs/dbraw/zinc/18/07/84/1425180784.db2.gz LAOJRSKQIRJUHT-ROUUACIJSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cnc2C)C[C@@H]1C ZINC001724997965 1425208345 /nfs/dbraw/zinc/20/83/45/1425208345.db2.gz BLDACGAKVDQZBL-DOTOQJQBSA-N 2 1 332.492 2.976 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCC(C)C)[C@H](C)C2)CC1 ZINC001725000084 1425212791 /nfs/dbraw/zinc/21/27/91/1425212791.db2.gz FZNAXQLTPMOBNX-QUCCMNQESA-N 2 1 347.547 2.737 10 30 EFEEMP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001725025633 1425236216 /nfs/dbraw/zinc/23/62/16/1425236216.db2.gz HZQOGSOXJZSKNR-QZTJIDSGSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCC[N@H+](CC)CC1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001725026360 1425236742 /nfs/dbraw/zinc/23/67/42/1425236742.db2.gz RETYUYAOKPTVHX-NRFANRHFSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCCC[NH+](CC)CC1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001725026360 1425236746 /nfs/dbraw/zinc/23/67/46/1425236746.db2.gz RETYUYAOKPTVHX-NRFANRHFSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCCC[NH+](CC)CC1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001725026360 1425236750 /nfs/dbraw/zinc/23/67/50/1425236750.db2.gz RETYUYAOKPTVHX-NRFANRHFSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001725027034 1425238425 /nfs/dbraw/zinc/23/84/25/1425238425.db2.gz OCSFHQBBJMPWEP-LJQANCHMSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001725027034 1425238429 /nfs/dbraw/zinc/23/84/29/1425238429.db2.gz OCSFHQBBJMPWEP-LJQANCHMSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001725027034 1425238433 /nfs/dbraw/zinc/23/84/33/1425238433.db2.gz OCSFHQBBJMPWEP-LJQANCHMSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001725031920 1425241830 /nfs/dbraw/zinc/24/18/30/1425241830.db2.gz FFQASDRWKOLIDA-VAMGGRTRSA-N 2 1 341.499 2.809 10 30 EFEEMP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001725035533 1425247656 /nfs/dbraw/zinc/24/76/56/1425247656.db2.gz KBSJBHLQSQQYAO-IFMALSPDSA-N 2 1 349.478 2.676 10 30 EFEEMP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001725035533 1425247666 /nfs/dbraw/zinc/24/76/66/1425247666.db2.gz KBSJBHLQSQQYAO-IFMALSPDSA-N 2 1 349.478 2.676 10 30 EFEEMP CC#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001725050620 1425261578 /nfs/dbraw/zinc/26/15/78/1425261578.db2.gz BKPBULAHGMYCQR-WOJBJXKFSA-N 2 1 341.499 2.626 10 30 EFEEMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001725050620 1425261580 /nfs/dbraw/zinc/26/15/80/1425261580.db2.gz BKPBULAHGMYCQR-WOJBJXKFSA-N 2 1 341.499 2.626 10 30 EFEEMP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001725050620 1425261582 /nfs/dbraw/zinc/26/15/82/1425261582.db2.gz BKPBULAHGMYCQR-WOJBJXKFSA-N 2 1 341.499 2.626 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001725058996 1425270686 /nfs/dbraw/zinc/27/06/86/1425270686.db2.gz NEAZZRVBCOHGAZ-MOPGFXCFSA-N 2 1 347.547 2.855 10 30 EFEEMP C=C(C)CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001725150505 1425335027 /nfs/dbraw/zinc/33/50/27/1425335027.db2.gz OSWGMYUADCJWBP-KRWDZBQOSA-N 2 1 346.519 2.794 10 30 EFEEMP C=CC[NH2+][C@@H](CCN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001725213033 1425382165 /nfs/dbraw/zinc/38/21/65/1425382165.db2.gz IHMBCNVHUQOWKF-QFBILLFUSA-N 2 1 341.515 2.848 10 30 EFEEMP C#CCC[NH2+]CC1(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CCCCC1 ZINC001725222405 1425389876 /nfs/dbraw/zinc/38/98/76/1425389876.db2.gz IETDCXSUXYTRBC-QGZVFWFLSA-N 2 1 344.503 2.829 10 30 EFEEMP C=CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)Cc3ccccc3)C[C@H]2C1 ZINC001725336743 1425480808 /nfs/dbraw/zinc/48/08/08/1425480808.db2.gz VYEMEXLOYSWLDP-UFYCRDLUSA-N 2 1 341.499 2.521 10 30 EFEEMP C=CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@H+](C)Cc3ccccc3)C[C@H]2C1 ZINC001725336743 1425480811 /nfs/dbraw/zinc/48/08/11/1425480811.db2.gz VYEMEXLOYSWLDP-UFYCRDLUSA-N 2 1 341.499 2.521 10 30 EFEEMP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)Cc3ccccc3)C[C@H]2C1 ZINC001725336743 1425480815 /nfs/dbraw/zinc/48/08/15/1425480815.db2.gz VYEMEXLOYSWLDP-UFYCRDLUSA-N 2 1 341.499 2.521 10 30 EFEEMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)Cc3ccccc3)C[C@H]2C1 ZINC001725336743 1425480820 /nfs/dbraw/zinc/48/08/20/1425480820.db2.gz VYEMEXLOYSWLDP-UFYCRDLUSA-N 2 1 341.499 2.521 10 30 EFEEMP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001725338201 1425484386 /nfs/dbraw/zinc/48/43/86/1425484386.db2.gz ZWUPVIQOESYJFV-OTWHNJEPSA-N 2 1 333.520 2.655 10 30 EFEEMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)CC[N@H+](C)C3CCCCC3)C[C@@]2(C)C1 ZINC001725345192 1425493448 /nfs/dbraw/zinc/49/34/48/1425493448.db2.gz IDMHIYYTAQLENO-OYRHEFFESA-N 2 1 347.547 2.997 10 30 EFEEMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)C3CCCCC3)C[C@@]2(C)C1 ZINC001725345192 1425493449 /nfs/dbraw/zinc/49/34/49/1425493449.db2.gz IDMHIYYTAQLENO-OYRHEFFESA-N 2 1 347.547 2.997 10 30 EFEEMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)C3CCCCC3)C[C@@]2(C)C1 ZINC001725345192 1425493450 /nfs/dbraw/zinc/49/34/50/1425493450.db2.gz IDMHIYYTAQLENO-OYRHEFFESA-N 2 1 347.547 2.997 10 30 EFEEMP C=C(C)CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001725401892 1425544107 /nfs/dbraw/zinc/54/41/07/1425544107.db2.gz OHKIQLPTILQKJO-DOTOQJQBSA-N 2 1 332.492 2.595 10 30 EFEEMP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001725417461 1425561366 /nfs/dbraw/zinc/56/13/66/1425561366.db2.gz PELMCXUSLOZVNW-YOEHRIQHSA-N 2 1 347.906 2.826 10 30 EFEEMP C#CCC[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC001725442727 1425584711 /nfs/dbraw/zinc/58/47/11/1425584711.db2.gz LYBNQNDTDLZMJD-UYAOXDASSA-N 2 1 347.547 2.785 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001725582827 1425666861 /nfs/dbraw/zinc/66/68/61/1425666861.db2.gz DNFIVTPQXRFLLO-PKOBYXMFSA-N 2 1 329.488 2.664 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001725582827 1425666863 /nfs/dbraw/zinc/66/68/63/1425666863.db2.gz DNFIVTPQXRFLLO-PKOBYXMFSA-N 2 1 329.488 2.664 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CCCCC1)C(C)(C)C ZINC001725743364 1425811566 /nfs/dbraw/zinc/81/15/66/1425811566.db2.gz YOFXQTYSZPOQRC-OALUTQOASA-N 2 1 347.547 2.785 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CCCCC1)C(C)(C)C ZINC001725743364 1425811571 /nfs/dbraw/zinc/81/15/71/1425811571.db2.gz YOFXQTYSZPOQRC-OALUTQOASA-N 2 1 347.547 2.785 10 30 EFEEMP CC#CC[NH2+]C[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C(C)(C)C ZINC001725743687 1425811785 /nfs/dbraw/zinc/81/17/85/1425811785.db2.gz YVGVCVLMWBNEHH-CVEARBPZSA-N 2 1 332.492 2.540 10 30 EFEEMP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001725770926 1425837454 /nfs/dbraw/zinc/83/74/54/1425837454.db2.gz IHYBYGLDTAHKFF-LPHOPBHVSA-N 2 1 329.488 2.692 10 30 EFEEMP C=CCCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@@H]1C(F)(F)F ZINC001725784190 1425849751 /nfs/dbraw/zinc/84/97/51/1425849751.db2.gz XHDIVCBOOIPBBB-GJZGRUSLSA-N 2 1 349.441 2.663 10 30 EFEEMP C=C(C)CC[N@H+]1CC=C(CNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001725827583 1425892417 /nfs/dbraw/zinc/89/24/17/1425892417.db2.gz ZHBVMBZFAOITHG-UHFFFAOYSA-N 2 1 330.476 2.686 10 30 EFEEMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001725827583 1425892420 /nfs/dbraw/zinc/89/24/20/1425892420.db2.gz ZHBVMBZFAOITHG-UHFFFAOYSA-N 2 1 330.476 2.686 10 30 EFEEMP Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000162823370 716783337 /nfs/dbraw/zinc/78/33/37/716783337.db2.gz DXLBDNDWBUSUID-UHFFFAOYSA-N 2 1 349.442 2.610 10 30 EFEEMP Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000162823370 716783340 /nfs/dbraw/zinc/78/33/40/716783340.db2.gz DXLBDNDWBUSUID-UHFFFAOYSA-N 2 1 349.442 2.610 10 30 EFEEMP C[NH+]=C(NC[C@H](C)[N@@H+](C)C1CC1)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000262001781 722684557 /nfs/dbraw/zinc/68/45/57/722684557.db2.gz UMQFEYDQROOVQL-YOEHRIQHSA-N 2 1 344.503 2.937 10 30 EFEEMP CC[NH+]=C(NCc1ccc2c(c1)COC2)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000262010604 722711134 /nfs/dbraw/zinc/71/11/34/722711134.db2.gz WMMFUPDNQXWVEY-DNVCBOLYSA-N 2 1 344.503 2.501 10 30 EFEEMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000896208374 723192179 /nfs/dbraw/zinc/19/21/79/723192179.db2.gz FSUNUWDOJNZWNU-PMACEKPBSA-N 2 1 341.499 2.836 10 30 EFEEMP COc1ccc(CCNC(NC[C@@H]2CCC[N@H+]2C)=[NH+]C(C)(C)C)cc1 ZINC000912509499 727719583 /nfs/dbraw/zinc/71/95/83/727719583.db2.gz IQKFMIHJLVSZCZ-KRWDZBQOSA-N 2 1 346.519 2.666 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C(C)(C)C1 ZINC000941236988 727925382 /nfs/dbraw/zinc/92/53/82/727925382.db2.gz FBFFIIMZEFYMRO-JKSUJKDBSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC000941236988 727925383 /nfs/dbraw/zinc/92/53/83/727925383.db2.gz FBFFIIMZEFYMRO-JKSUJKDBSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941236988 727925385 /nfs/dbraw/zinc/92/53/85/727925385.db2.gz FBFFIIMZEFYMRO-JKSUJKDBSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941236988 727925388 /nfs/dbraw/zinc/92/53/88/727925388.db2.gz FBFFIIMZEFYMRO-JKSUJKDBSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000940736208 728223848 /nfs/dbraw/zinc/22/38/48/728223848.db2.gz BXQACTREMQZSOK-JKSUJKDBSA-N 2 1 341.927 2.828 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000940736208 728223852 /nfs/dbraw/zinc/22/38/52/728223852.db2.gz BXQACTREMQZSOK-JKSUJKDBSA-N 2 1 341.927 2.828 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940736208 728223855 /nfs/dbraw/zinc/22/38/55/728223855.db2.gz BXQACTREMQZSOK-JKSUJKDBSA-N 2 1 341.927 2.828 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940736208 728223857 /nfs/dbraw/zinc/22/38/57/728223857.db2.gz BXQACTREMQZSOK-JKSUJKDBSA-N 2 1 341.927 2.828 10 30 EFEEMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940971718 728344530 /nfs/dbraw/zinc/34/45/30/728344530.db2.gz ARJYTGHRDJKTSW-MOPGFXCFSA-N 2 1 345.531 2.633 10 30 EFEEMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000940971718 728344532 /nfs/dbraw/zinc/34/45/32/728344532.db2.gz ARJYTGHRDJKTSW-MOPGFXCFSA-N 2 1 345.531 2.633 10 30 EFEEMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940971718 728344534 /nfs/dbraw/zinc/34/45/34/728344534.db2.gz ARJYTGHRDJKTSW-MOPGFXCFSA-N 2 1 345.531 2.633 10 30 EFEEMP C=C(Cl)CN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940979391 728347529 /nfs/dbraw/zinc/34/75/29/728347529.db2.gz IGHPUBGWLUEXQK-JYJNAYRXSA-N 2 1 341.927 2.686 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940979391 728347531 /nfs/dbraw/zinc/34/75/31/728347531.db2.gz IGHPUBGWLUEXQK-JYJNAYRXSA-N 2 1 341.927 2.686 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940979391 728347533 /nfs/dbraw/zinc/34/75/33/728347533.db2.gz IGHPUBGWLUEXQK-JYJNAYRXSA-N 2 1 341.927 2.686 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940979391 728347536 /nfs/dbraw/zinc/34/75/36/728347536.db2.gz IGHPUBGWLUEXQK-JYJNAYRXSA-N 2 1 341.927 2.686 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940979391 728347539 /nfs/dbraw/zinc/34/75/39/728347539.db2.gz IGHPUBGWLUEXQK-JYJNAYRXSA-N 2 1 341.927 2.686 10 30 EFEEMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000940988592 728361109 /nfs/dbraw/zinc/36/11/09/728361109.db2.gz UOXGTTSNLCTTIF-SJLPKXTDSA-N 2 1 344.503 2.547 10 30 EFEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000940988592 728361111 /nfs/dbraw/zinc/36/11/11/728361111.db2.gz UOXGTTSNLCTTIF-SJLPKXTDSA-N 2 1 344.503 2.547 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001569433857 1085202458 /nfs/dbraw/zinc/20/24/58/1085202458.db2.gz ADLGOQGSFJZHOB-LJQANCHMSA-N 2 1 344.503 2.718 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001569433857 1085202463 /nfs/dbraw/zinc/20/24/63/1085202463.db2.gz ADLGOQGSFJZHOB-LJQANCHMSA-N 2 1 344.503 2.718 10 30 EFEEMP C=CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001569451532 1085236275 /nfs/dbraw/zinc/23/62/75/1085236275.db2.gz AXMBMNOJFFDFJH-FQEVSTJZSA-N 2 1 347.547 2.996 10 30 EFEEMP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001569451532 1085236289 /nfs/dbraw/zinc/23/62/89/1085236289.db2.gz AXMBMNOJFFDFJH-FQEVSTJZSA-N 2 1 347.547 2.996 10 30 EFEEMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001569451532 1085236302 /nfs/dbraw/zinc/23/63/02/1085236302.db2.gz AXMBMNOJFFDFJH-FQEVSTJZSA-N 2 1 347.547 2.996 10 30 EFEEMP C=CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001569452257 1085238670 /nfs/dbraw/zinc/23/86/70/1085238670.db2.gz SAROZSQIAOTSML-WMZOPIPTSA-N 2 1 333.520 2.606 10 30 EFEEMP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001569452257 1085238676 /nfs/dbraw/zinc/23/86/76/1085238676.db2.gz SAROZSQIAOTSML-WMZOPIPTSA-N 2 1 333.520 2.606 10 30 EFEEMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001569452257 1085238688 /nfs/dbraw/zinc/23/86/88/1085238688.db2.gz SAROZSQIAOTSML-WMZOPIPTSA-N 2 1 333.520 2.606 10 30 EFEEMP C=CCCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001569479567 1085287494 /nfs/dbraw/zinc/28/74/94/1085287494.db2.gz YRXXRKQELIIGSY-BJLQDIEVSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001569479567 1085287502 /nfs/dbraw/zinc/28/75/02/1085287502.db2.gz YRXXRKQELIIGSY-BJLQDIEVSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001569479567 1085287510 /nfs/dbraw/zinc/28/75/10/1085287510.db2.gz YRXXRKQELIIGSY-BJLQDIEVSA-N 2 1 333.520 2.607 10 30 EFEEMP C#CCN(C(=O)C[N@H+](C)CCC)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001569595082 1085418576 /nfs/dbraw/zinc/41/85/76/1085418576.db2.gz CKHHIAXMDMQZPZ-UHFFFAOYSA-N 2 1 335.536 2.691 10 30 EFEEMP C=C(C)C[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccccc1CC ZINC001569802441 1085618797 /nfs/dbraw/zinc/61/87/97/1085618797.db2.gz VHFLTHFDHZMMIW-XLIONFOSSA-N 2 1 343.515 2.914 10 30 EFEEMP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@H]2C1 ZINC001569884014 1085718046 /nfs/dbraw/zinc/71/80/46/1085718046.db2.gz MAJGFGQENLFXDU-KDURUIRLSA-N 2 1 333.520 2.609 10 30 EFEEMP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001569989112 1085824678 /nfs/dbraw/zinc/82/46/78/1085824678.db2.gz YPZWJZKYGKRYJZ-DLBZAZTESA-N 2 1 341.927 2.688 10 30 EFEEMP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001569998842 1085841629 /nfs/dbraw/zinc/84/16/29/1085841629.db2.gz VEMQTJYKJUDVSL-AZUAARDMSA-N 2 1 345.531 2.635 10 30 EFEEMP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001570031449 1085883166 /nfs/dbraw/zinc/88/31/66/1085883166.db2.gz PJEASIYADXZDLP-FXAWDEMLSA-N 2 1 341.499 2.850 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)CCC)C1 ZINC001570219634 1086060110 /nfs/dbraw/zinc/06/01/10/1086060110.db2.gz FEMFAQJFQOCLBH-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001570219634 1086060115 /nfs/dbraw/zinc/06/01/15/1086060115.db2.gz FEMFAQJFQOCLBH-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001570219634 1086060124 /nfs/dbraw/zinc/06/01/24/1086060124.db2.gz FEMFAQJFQOCLBH-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001570220874 1086062296 /nfs/dbraw/zinc/06/22/96/1086062296.db2.gz XWCTWEDVFOOFKM-RTBURBONSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[NH2+]C1(CC)CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001570262596 1086096016 /nfs/dbraw/zinc/09/60/16/1086096016.db2.gz UZUMWWZWGOJSLL-UHFFFAOYSA-N 2 1 332.492 2.943 10 30 EFEEMP C=C(C)C[NH+]1CCC(CCCCCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001570266928 1086099128 /nfs/dbraw/zinc/09/91/28/1086099128.db2.gz FCWYLYVBYQXWAP-LJQANCHMSA-N 2 1 335.536 2.903 10 30 EFEEMP C=C(C)CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001570269567 1086104490 /nfs/dbraw/zinc/10/44/90/1086104490.db2.gz XWJCIDWMZWYLFK-FQEVSTJZSA-N 2 1 343.515 2.838 10 30 EFEEMP C=C(C)CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC[NH+](C)CC ZINC001570269567 1086104495 /nfs/dbraw/zinc/10/44/95/1086104495.db2.gz XWJCIDWMZWYLFK-FQEVSTJZSA-N 2 1 343.515 2.838 10 30 EFEEMP C=C(C)CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC[NH+](C)CC ZINC001570269567 1086104500 /nfs/dbraw/zinc/10/45/00/1086104500.db2.gz XWJCIDWMZWYLFK-FQEVSTJZSA-N 2 1 343.515 2.838 10 30 EFEEMP C=CCCC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001570269002 1086105074 /nfs/dbraw/zinc/10/50/74/1086105074.db2.gz MMTAXTVTKQBHOZ-WOJBJXKFSA-N 2 1 341.499 2.590 10 30 EFEEMP C=CCCC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001570269002 1086105080 /nfs/dbraw/zinc/10/50/80/1086105080.db2.gz MMTAXTVTKQBHOZ-WOJBJXKFSA-N 2 1 341.499 2.590 10 30 EFEEMP C=CCCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001570269002 1086105084 /nfs/dbraw/zinc/10/50/84/1086105084.db2.gz MMTAXTVTKQBHOZ-WOJBJXKFSA-N 2 1 341.499 2.590 10 30 EFEEMP C=CCC[NH2+]C1(C)CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001570380900 1086183571 /nfs/dbraw/zinc/18/35/71/1086183571.db2.gz OKEAYTQPRKMEPL-LJQANCHMSA-N 2 1 339.499 2.746 10 30 EFEEMP C=CCCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001570476437 1086265973 /nfs/dbraw/zinc/26/59/73/1086265973.db2.gz CGMGXSUKDFITDX-VQTJNVASSA-N 2 1 341.499 2.762 10 30 EFEEMP C=CCCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001570476437 1086265982 /nfs/dbraw/zinc/26/59/82/1086265982.db2.gz CGMGXSUKDFITDX-VQTJNVASSA-N 2 1 341.499 2.762 10 30 EFEEMP C=CCCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001570476437 1086265986 /nfs/dbraw/zinc/26/59/86/1086265986.db2.gz CGMGXSUKDFITDX-VQTJNVASSA-N 2 1 341.499 2.762 10 30 EFEEMP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001570504880 1086293988 /nfs/dbraw/zinc/29/39/88/1086293988.db2.gz YJWDQULASPOAOF-FQEVSTJZSA-N 2 1 333.520 2.609 10 30 EFEEMP C=C(C)C[NH+](CC)CC1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001570504880 1086293999 /nfs/dbraw/zinc/29/39/99/1086293999.db2.gz YJWDQULASPOAOF-FQEVSTJZSA-N 2 1 333.520 2.609 10 30 EFEEMP C=C(C)C[NH+](CC)CC1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001570504880 1086294009 /nfs/dbraw/zinc/29/40/09/1086294009.db2.gz YJWDQULASPOAOF-FQEVSTJZSA-N 2 1 333.520 2.609 10 30 EFEEMP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001570544568 1086340679 /nfs/dbraw/zinc/34/06/79/1086340679.db2.gz YVQNZUONIJYCAH-LJQANCHMSA-N 2 1 333.520 2.607 10 30 EFEEMP CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001570641509 1086430111 /nfs/dbraw/zinc/43/01/11/1086430111.db2.gz MTNTWQKYPFJCHV-CVEARBPZSA-N 2 1 349.906 2.516 10 30 EFEEMP C=C(C)CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001570680826 1086457811 /nfs/dbraw/zinc/45/78/11/1086457811.db2.gz LHYQSFDEHMMMCJ-QGZVFWFLSA-N 2 1 346.519 2.794 10 30 EFEEMP CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C)C(C)C ZINC001570777009 1086512486 /nfs/dbraw/zinc/51/24/86/1086512486.db2.gz GQKHZDAONUQPCQ-OALUTQOASA-N 2 1 335.536 2.593 10 30 EFEEMP CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C)C(C)C ZINC001570777010 1086512865 /nfs/dbraw/zinc/51/28/65/1086512865.db2.gz GQKHZDAONUQPCQ-RBUKOAKNSA-N 2 1 335.536 2.593 10 30 EFEEMP C=C(C)C[N@H+]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001570897514 1086596879 /nfs/dbraw/zinc/59/68/79/1086596879.db2.gz SSPCPUWXMQJQTP-CVEARBPZSA-N 2 1 332.492 2.799 10 30 EFEEMP C=C(C)C[N@@H+]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001570897514 1086596890 /nfs/dbraw/zinc/59/68/90/1086596890.db2.gz SSPCPUWXMQJQTP-CVEARBPZSA-N 2 1 332.492 2.799 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001570905405 1086605484 /nfs/dbraw/zinc/60/54/84/1086605484.db2.gz SIIKXFDQVHCPEX-SJLPKXTDSA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(C)CC[NH+]1C[C@@H]2CC[C@H](NC(=O)CC[N@H+](C)CCC)C[C@@H]2C1 ZINC001571022486 1086645643 /nfs/dbraw/zinc/64/56/43/1086645643.db2.gz MZLBASGUAYIIHC-OTWHNJEPSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)CCC)C[C@@H]2C1 ZINC001571022486 1086645650 /nfs/dbraw/zinc/64/56/50/1086645650.db2.gz MZLBASGUAYIIHC-OTWHNJEPSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)CCC)C[C@@H]2C1 ZINC001571022486 1086645656 /nfs/dbraw/zinc/64/56/56/1086645656.db2.gz MZLBASGUAYIIHC-OTWHNJEPSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001571038364 1086651286 /nfs/dbraw/zinc/65/12/86/1086651286.db2.gz FMOQDHAMNVZSNW-GOSISDBHSA-N 2 1 345.531 2.894 10 30 EFEEMP C=CCCCCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001571036132 1086651699 /nfs/dbraw/zinc/65/16/99/1086651699.db2.gz SCVDFRYQOQHBJK-RTBURBONSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCCCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001571036132 1086651700 /nfs/dbraw/zinc/65/17/00/1086651700.db2.gz SCVDFRYQOQHBJK-RTBURBONSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001571036132 1086651702 /nfs/dbraw/zinc/65/17/02/1086651702.db2.gz SCVDFRYQOQHBJK-RTBURBONSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@]2(C)C1 ZINC001571067997 1086658896 /nfs/dbraw/zinc/65/88/96/1086658896.db2.gz CMNJCXZQFFAYMV-BWPNAZKDSA-N 2 1 335.536 2.852 10 30 EFEEMP C=C(C)C[NH2+]CCCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001571337546 1086737321 /nfs/dbraw/zinc/73/73/21/1086737321.db2.gz MACWAKBDLGERPS-LJQANCHMSA-N 2 1 329.488 2.523 10 30 EFEEMP CC#CC[NH2+]CCC[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)c1ccccc1 ZINC001571347345 1086745382 /nfs/dbraw/zinc/74/53/82/1086745382.db2.gz RGVCZGXRECYWGG-ICSRJNTNSA-N 2 1 341.499 2.579 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C(F)(F)F ZINC001571571818 1086971680 /nfs/dbraw/zinc/97/16/80/1086971680.db2.gz IAXNHVYCBDEPLK-CABCVRRESA-N 2 1 349.441 2.519 10 30 EFEEMP C#CCC[NH2+]C[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)C(C)(C)C ZINC001571629798 1087000086 /nfs/dbraw/zinc/00/00/86/1087000086.db2.gz SBBCQTLFNGGLKU-SFHVURJKSA-N 2 1 335.536 2.785 10 30 EFEEMP C#CCC[NH+]1CCC([C@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001571649090 1087018969 /nfs/dbraw/zinc/01/89/69/1087018969.db2.gz RGAZGNHXLKCMHC-SFHVURJKSA-N 2 1 347.547 2.881 10 30 EFEEMP C=C(C)C[NH+]1CCC(C2(NC(=O)Cn3cc[nH+]c3C(C)C)CC2)CC1 ZINC001571669688 1087034096 /nfs/dbraw/zinc/03/40/96/1087034096.db2.gz KFQIXYPVOLLGRZ-UHFFFAOYSA-N 2 1 344.503 2.943 10 30 EFEEMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001571700613 1087072492 /nfs/dbraw/zinc/07/24/92/1087072492.db2.gz JEFBEZWYJXGKCS-LJQANCHMSA-N 2 1 333.520 2.821 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001584625342 1092222666 /nfs/dbraw/zinc/22/26/66/1092222666.db2.gz PZFJSOFEWJMWIW-HXUWFJFHSA-N 2 1 343.515 2.863 10 30 EFEEMP C=C(C)CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)Cn1c[nH+]cc1C ZINC001649435572 1092456001 /nfs/dbraw/zinc/45/60/01/1092456001.db2.gz UPULJMGKFMVDDP-FUHWJXTLSA-N 2 1 332.492 2.765 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001649461655 1092496745 /nfs/dbraw/zinc/49/67/45/1092496745.db2.gz GAKUSUINRQZLFS-UXHICEINSA-N 2 1 347.547 2.692 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001267071900 1092543297 /nfs/dbraw/zinc/54/32/97/1092543297.db2.gz YRDVRKHAZBMFNA-PKOBYXMFSA-N 2 1 329.488 2.694 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCCCCCC)C1 ZINC001267105212 1092741130 /nfs/dbraw/zinc/74/11/30/1092741130.db2.gz YOUNFARQRPINBW-PMACEKPBSA-N 2 1 347.547 2.977 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CCCCCCC)C1 ZINC001267105212 1092741137 /nfs/dbraw/zinc/74/11/37/1092741137.db2.gz YOUNFARQRPINBW-PMACEKPBSA-N 2 1 347.547 2.977 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCCCCCC)C1 ZINC001267105212 1092741141 /nfs/dbraw/zinc/74/11/41/1092741141.db2.gz YOUNFARQRPINBW-PMACEKPBSA-N 2 1 347.547 2.977 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCCCCCC)C1 ZINC001267105212 1092741144 /nfs/dbraw/zinc/74/11/44/1092741144.db2.gz YOUNFARQRPINBW-PMACEKPBSA-N 2 1 347.547 2.977 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001279585500 1092908160 /nfs/dbraw/zinc/90/81/60/1092908160.db2.gz CELODGVADQRTGC-OALUTQOASA-N 2 1 333.520 2.894 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001267163871 1093010610 /nfs/dbraw/zinc/01/06/10/1093010610.db2.gz BJJPNPYDQVQLJB-DLBZAZTESA-N 2 1 341.927 2.973 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001267163871 1093010614 /nfs/dbraw/zinc/01/06/14/1093010614.db2.gz BJJPNPYDQVQLJB-DLBZAZTESA-N 2 1 341.927 2.973 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001267163871 1093010620 /nfs/dbraw/zinc/01/06/20/1093010620.db2.gz BJJPNPYDQVQLJB-DLBZAZTESA-N 2 1 341.927 2.973 10 30 EFEEMP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001267200342 1093173676 /nfs/dbraw/zinc/17/36/76/1093173676.db2.gz BTQHMVUXQQZIFN-DNVCBOLYSA-N 2 1 339.499 2.602 10 30 EFEEMP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001267200341 1093174049 /nfs/dbraw/zinc/17/40/49/1093174049.db2.gz BTQHMVUXQQZIFN-BEFAXECRSA-N 2 1 339.499 2.602 10 30 EFEEMP C=CCC[NH2+][C@H](C)C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001267208204 1093201370 /nfs/dbraw/zinc/20/13/70/1093201370.db2.gz MDHYAWDGVLZBFU-MRXNPFEDSA-N 2 1 332.492 2.765 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001267250160 1093366930 /nfs/dbraw/zinc/36/69/30/1093366930.db2.gz HKOYKOZWJMQWND-LPHOPBHVSA-N 2 1 341.515 2.992 10 30 EFEEMP C=CCC[C@H](C)[NH+](CC)CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001267250160 1093366940 /nfs/dbraw/zinc/36/69/40/1093366940.db2.gz HKOYKOZWJMQWND-LPHOPBHVSA-N 2 1 341.515 2.992 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC)c1ccc(C(C)C)cc1 ZINC001267346846 1093633753 /nfs/dbraw/zinc/63/37/53/1093633753.db2.gz XHHRQMGODGCSEV-UXHICEINSA-N 2 1 341.499 2.674 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC)c1ccc(C(C)C)cc1 ZINC001267346846 1093633760 /nfs/dbraw/zinc/63/37/60/1093633760.db2.gz XHHRQMGODGCSEV-UXHICEINSA-N 2 1 341.499 2.674 10 30 EFEEMP C=CCCC[NH+](C)CC1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001267604126 1094413515 /nfs/dbraw/zinc/41/35/15/1094413515.db2.gz KAIPVUIFEWVVIA-HDICACEKSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCC[N@@H+](C)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001267604126 1094413517 /nfs/dbraw/zinc/41/35/17/1094413517.db2.gz KAIPVUIFEWVVIA-HDICACEKSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCC[N@H+](C)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001267604126 1094413521 /nfs/dbraw/zinc/41/35/21/1094413521.db2.gz KAIPVUIFEWVVIA-HDICACEKSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](N(CCC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001267475627 1094778133 /nfs/dbraw/zinc/77/81/33/1094778133.db2.gz OTYXLKAOGNURKM-SJLPKXTDSA-N 2 1 332.492 2.859 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(CCC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001267475627 1094778142 /nfs/dbraw/zinc/77/81/42/1094778142.db2.gz OTYXLKAOGNURKM-SJLPKXTDSA-N 2 1 332.492 2.859 10 30 EFEEMP C=CCC[N@H+]1CC[C@@H](N(CCC)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001267481396 1094852037 /nfs/dbraw/zinc/85/20/37/1094852037.db2.gz IHXXKUFBFVYWRL-QGZVFWFLSA-N 2 1 332.492 2.896 10 30 EFEEMP C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001267481396 1094852052 /nfs/dbraw/zinc/85/20/52/1094852052.db2.gz IHXXKUFBFVYWRL-QGZVFWFLSA-N 2 1 332.492 2.896 10 30 EFEEMP C=CCC[N@H+]1CC[C@H](N(CCC)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001267481394 1094853853 /nfs/dbraw/zinc/85/38/53/1094853853.db2.gz IHXXKUFBFVYWRL-KRWDZBQOSA-N 2 1 332.492 2.896 10 30 EFEEMP C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001267481394 1094853872 /nfs/dbraw/zinc/85/38/72/1094853872.db2.gz IHXXKUFBFVYWRL-KRWDZBQOSA-N 2 1 332.492 2.896 10 30 EFEEMP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001267487138 1094908342 /nfs/dbraw/zinc/90/83/42/1094908342.db2.gz ATEHUXXPGXKILY-HKUYNNGSSA-N 2 1 335.536 2.900 10 30 EFEEMP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+](CCC)C1)c1ccccc1 ZINC001267518884 1095199481 /nfs/dbraw/zinc/19/94/81/1095199481.db2.gz DWBFBWBCZZHRII-PMACEKPBSA-N 2 1 341.499 2.579 10 30 EFEEMP C=CCCC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001267520527 1095219523 /nfs/dbraw/zinc/21/95/23/1095219523.db2.gz QVRPQJWKRMFQSU-MOPGFXCFSA-N 2 1 329.488 2.884 10 30 EFEEMP CC#CCN[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)c1ccccc1 ZINC001267522450 1095243388 /nfs/dbraw/zinc/24/33/88/1095243388.db2.gz GRANKSAMIKSPRU-PMACEKPBSA-N 2 1 341.499 2.720 10 30 EFEEMP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)c1ccccc1 ZINC001267522450 1095243410 /nfs/dbraw/zinc/24/34/10/1095243410.db2.gz GRANKSAMIKSPRU-PMACEKPBSA-N 2 1 341.499 2.720 10 30 EFEEMP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001267666149 1095383079 /nfs/dbraw/zinc/38/30/79/1095383079.db2.gz QQGFSMWNWRBRAG-SFHVURJKSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CCCCC1 ZINC001268121891 1095411574 /nfs/dbraw/zinc/41/15/74/1095411574.db2.gz UZMCIZOPPZZEFF-IPMKNSEASA-N 2 1 335.536 2.948 10 30 EFEEMP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001268134672 1095461153 /nfs/dbraw/zinc/46/11/53/1095461153.db2.gz JPVYFKCUXWLVNN-ICSRJNTNSA-N 2 1 343.515 2.564 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N(CCC)[C@@H]2CC[N@@H+](CCC(C)C)C2)CC1 ZINC001267550508 1095471246 /nfs/dbraw/zinc/47/12/46/1095471246.db2.gz YAEYFCCVNOOREV-HXUWFJFHSA-N 2 1 347.547 2.691 10 30 EFEEMP C=CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001268160821 1095590056 /nfs/dbraw/zinc/59/00/56/1095590056.db2.gz BDPNRKGTQYYPOX-ZWKOTPCHSA-N 2 1 344.503 2.691 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001267713118 1095591162 /nfs/dbraw/zinc/59/11/62/1095591162.db2.gz ZEDBJNUBZJAFIA-ULQDDVLXSA-N 2 1 330.476 2.646 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001267713118 1095591170 /nfs/dbraw/zinc/59/11/70/1095591170.db2.gz ZEDBJNUBZJAFIA-ULQDDVLXSA-N 2 1 330.476 2.646 10 30 EFEEMP C=C(Cl)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001268161638 1095594375 /nfs/dbraw/zinc/59/43/75/1095594375.db2.gz FHPXMYWPJLNMHM-ULQDDVLXSA-N 2 1 341.927 2.830 10 30 EFEEMP C=CCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCCCC1 ZINC001267715543 1095618292 /nfs/dbraw/zinc/61/82/92/1095618292.db2.gz AJXWSFVAUGRPRP-OALUTQOASA-N 2 1 333.520 2.894 10 30 EFEEMP C=CCC[NH+]1CC[C@@H](CCNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001267575147 1095790846 /nfs/dbraw/zinc/79/08/46/1095790846.db2.gz CWCJFXGMETZVIJ-APWZRJJASA-N 2 1 339.499 2.603 10 30 EFEEMP C=CCC[N@H+]1CC[C@@H](CCNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267575147 1095790857 /nfs/dbraw/zinc/79/08/57/1095790857.db2.gz CWCJFXGMETZVIJ-APWZRJJASA-N 2 1 339.499 2.603 10 30 EFEEMP C=CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267575147 1095790870 /nfs/dbraw/zinc/79/08/70/1095790870.db2.gz CWCJFXGMETZVIJ-APWZRJJASA-N 2 1 339.499 2.603 10 30 EFEEMP C#CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001268187387 1096053212 /nfs/dbraw/zinc/05/32/12/1096053212.db2.gz DJKWKMOJKKWCQJ-QUCCMNQESA-N 2 1 347.547 2.881 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@@H+](C)C[C@@H](C)CC)CC1 ZINC001268199061 1096086034 /nfs/dbraw/zinc/08/60/34/1096086034.db2.gz CQKDBMQGSGVEQL-ICSRJNTNSA-N 2 1 347.547 2.691 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@H+](C)C[C@@H](C)CC)CC1 ZINC001268199061 1096086045 /nfs/dbraw/zinc/08/60/45/1096086045.db2.gz CQKDBMQGSGVEQL-ICSRJNTNSA-N 2 1 347.547 2.691 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](C)C[C@@H](C)CC)CC1 ZINC001268199061 1096086054 /nfs/dbraw/zinc/08/60/54/1096086054.db2.gz CQKDBMQGSGVEQL-ICSRJNTNSA-N 2 1 347.547 2.691 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](C)C[C@@H](C)CC)CC1 ZINC001268199061 1096086060 /nfs/dbraw/zinc/08/60/60/1096086060.db2.gz CQKDBMQGSGVEQL-ICSRJNTNSA-N 2 1 347.547 2.691 10 30 EFEEMP C=CCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001267601576 1096198172 /nfs/dbraw/zinc/19/81/72/1096198172.db2.gz PQAXLOFQNBHCHV-MOPGFXCFSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCC[NH+](C)CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001267601576 1096198179 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KUFZKMQCNFLAFK-OALUTQOASA-N 2 1 344.503 2.861 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]21 ZINC001268268880 1096216735 /nfs/dbraw/zinc/21/67/35/1096216735.db2.gz KUFZKMQCNFLAFK-OALUTQOASA-N 2 1 344.503 2.861 10 30 EFEEMP C=CCC[N@H+]1CC[C@H]2CN(C(=O)CCCC[NH+]3CCCC3)CC[C@H]21 ZINC001268273516 1096231172 /nfs/dbraw/zinc/23/11/72/1096231172.db2.gz YQYXTHWVXZIDOQ-RBUKOAKNSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001481740385 1096481312 /nfs/dbraw/zinc/48/13/12/1096481312.db2.gz BGQMYNJBUMMGKL-LPHOPBHVSA-N 2 1 339.499 2.698 10 30 EFEEMP C=CCCC[NH+]1CC[C@H](N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001481740385 1096481316 /nfs/dbraw/zinc/48/13/16/1096481316.db2.gz BGQMYNJBUMMGKL-LPHOPBHVSA-N 2 1 339.499 2.698 10 30 EFEEMP C=CCCC[NH+]1CC[C@H](N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001481740385 1096481321 /nfs/dbraw/zinc/48/13/21/1096481321.db2.gz BGQMYNJBUMMGKL-LPHOPBHVSA-N 2 1 339.499 2.698 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001481938539 1096968850 /nfs/dbraw/zinc/96/88/50/1096968850.db2.gz BXWNQTFFPARSAD-CRAIPNDOSA-N 2 1 341.927 2.735 10 30 EFEEMP C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001481976334 1097033998 /nfs/dbraw/zinc/03/39/98/1097033998.db2.gz HNSLMXNTWLJORW-MJGOQNOKSA-N 2 1 333.520 2.798 10 30 EFEEMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001482027640 1097110274 /nfs/dbraw/zinc/11/02/74/1097110274.db2.gz KEWSJNMZJBKMNG-GUDVDZBRSA-N 2 1 329.488 2.882 10 30 EFEEMP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)cc1 ZINC001482033224 1097128984 /nfs/dbraw/zinc/12/89/84/1097128984.db2.gz FXNWFSQAICQUHK-UXHICEINSA-N 2 1 341.499 2.985 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001269039011 1097802922 /nfs/dbraw/zinc/80/29/22/1097802922.db2.gz OHTZAMASTCPXSN-HOCLYGCPSA-N 2 1 326.444 2.802 10 30 EFEEMP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1CC ZINC001269174432 1097918629 /nfs/dbraw/zinc/91/86/29/1097918629.db2.gz MKBQIBXISBFSDX-AZUAARDMSA-N 2 1 347.547 2.881 10 30 EFEEMP C=CCCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001269346153 1098073549 /nfs/dbraw/zinc/07/35/49/1098073549.db2.gz ZRXWGWISFYINKA-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001269346153 1098073551 /nfs/dbraw/zinc/07/35/51/1098073551.db2.gz ZRXWGWISFYINKA-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001269346153 1098073558 /nfs/dbraw/zinc/07/35/58/1098073558.db2.gz ZRXWGWISFYINKA-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001269634698 1098312896 /nfs/dbraw/zinc/31/28/96/1098312896.db2.gz SYAJVOMWCRFFQY-OXQOHEQNSA-N 2 1 344.503 2.595 10 30 EFEEMP CC#CC[NH2+]C[C@@]1(NC(=O)Cn2cc[nH+]c2C(C)C)CCCC[C@@H]1C ZINC001269670074 1098340981 /nfs/dbraw/zinc/34/09/81/1098340981.db2.gz JNOQJUCFVQGENA-PXNSSMCTSA-N 2 1 344.503 2.685 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CCC[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001269700458 1098378722 /nfs/dbraw/zinc/37/87/22/1098378722.db2.gz YESUHHGDKCSAGZ-AZUAARDMSA-N 2 1 345.531 2.751 10 30 EFEEMP C=C(C)C[NH2+]CCC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001269877237 1098495009 /nfs/dbraw/zinc/49/50/09/1098495009.db2.gz GEYBUWOCEBTUGJ-OALUTQOASA-N 2 1 333.520 2.798 10 30 EFEEMP C=C(C)C[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001267916070 1098630256 /nfs/dbraw/zinc/63/02/56/1098630256.db2.gz OEHGVMHPZOWZCI-OALUTQOASA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCC[C@@H](C)[NH2+]CCC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001267917415 1098636989 /nfs/dbraw/zinc/63/69/89/1098636989.db2.gz FWEDFYUFSGZWMJ-IEBWSBKVSA-N 2 1 335.536 2.901 10 30 EFEEMP C#CC[NH2+]Cc1ccc(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)cc1 ZINC001270065504 1098653568 /nfs/dbraw/zinc/65/35/68/1098653568.db2.gz OJIJPWNQVTZHOU-UHFFFAOYSA-N 2 1 341.499 2.679 10 30 EFEEMP C=CC[NH2+]CCC1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001267920961 1098664767 /nfs/dbraw/zinc/66/47/67/1098664767.db2.gz GWRNLPWYQHLSOX-UHFFFAOYSA-N 2 1 329.488 2.523 10 30 EFEEMP C=CC[NH2+]CCC1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001267920961 1098664775 /nfs/dbraw/zinc/66/47/75/1098664775.db2.gz GWRNLPWYQHLSOX-UHFFFAOYSA-N 2 1 329.488 2.523 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001270118383 1098715486 /nfs/dbraw/zinc/71/54/86/1098715486.db2.gz NSLGKKSFTNXLQR-QUCCMNQESA-N 2 1 345.531 2.657 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001270118383 1098715497 /nfs/dbraw/zinc/71/54/97/1098715497.db2.gz NSLGKKSFTNXLQR-QUCCMNQESA-N 2 1 345.531 2.657 10 30 EFEEMP C=C(C)C[N@@H+](C)CC1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001267764113 1098918720 /nfs/dbraw/zinc/91/87/20/1098918720.db2.gz QJMLIHUKYYBISD-UHFFFAOYSA-N 2 1 335.536 2.999 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCC1CCCCCC1 ZINC001267990181 1099090669 /nfs/dbraw/zinc/09/06/69/1099090669.db2.gz QVELKGFPNYBTTK-QUCCMNQESA-N 2 1 347.547 2.786 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCC1CCCCCC1 ZINC001267990181 1099090682 /nfs/dbraw/zinc/09/06/82/1099090682.db2.gz QVELKGFPNYBTTK-QUCCMNQESA-N 2 1 347.547 2.786 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCC1CCCCCC1 ZINC001267990175 1099091058 /nfs/dbraw/zinc/09/10/58/1099091058.db2.gz QVELKGFPNYBTTK-ICSRJNTNSA-N 2 1 347.547 2.786 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCC1CCCCCC1 ZINC001267990175 1099091065 /nfs/dbraw/zinc/09/10/65/1099091065.db2.gz QVELKGFPNYBTTK-ICSRJNTNSA-N 2 1 347.547 2.786 10 30 EFEEMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C(C)C ZINC001615894790 1099165924 /nfs/dbraw/zinc/16/59/24/1099165924.db2.gz MITZBKBYYBTEQU-GUDVDZBRSA-N 2 1 333.520 2.818 10 30 EFEEMP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001481335099 1099350733 /nfs/dbraw/zinc/35/07/33/1099350733.db2.gz ONVWJLCVLQGJKV-XLIONFOSSA-N 2 1 345.531 2.633 10 30 EFEEMP C#CCC[NH2+][C@H](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001481335558 1099352868 /nfs/dbraw/zinc/35/28/68/1099352868.db2.gz UHVZTCVDWQHIFM-IAGOWNOFSA-N 2 1 344.503 2.637 10 30 EFEEMP C#CCN1CCC[C@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC001621068010 1099379954 /nfs/dbraw/zinc/37/99/54/1099379954.db2.gz XLEXULBBGUREQD-FQEVSTJZSA-N 2 1 327.516 2.832 10 30 EFEEMP CC[C@@H](CNC(=O)CC[N@@H+](C)CC)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001267826409 1099473790 /nfs/dbraw/zinc/47/37/90/1099473790.db2.gz HVZBHZFKOCPSFP-SFHVURJKSA-N 2 1 349.906 2.518 10 30 EFEEMP C=C(Cl)CN[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccccc1 ZINC001481371914 1099509075 /nfs/dbraw/zinc/50/90/75/1099509075.db2.gz ZGZQVYLXQPAZEA-WMLDXEAASA-N 2 1 335.879 2.528 10 30 EFEEMP C=CCC[C@@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001270751451 1099526524 /nfs/dbraw/zinc/52/65/24/1099526524.db2.gz BZWMUJIIKRSDRS-DNVCBOLYSA-N 2 1 348.491 2.533 10 30 EFEEMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CCCC1 ZINC001270756327 1099534676 /nfs/dbraw/zinc/53/46/76/1099534676.db2.gz BTZMDTUUYVZHTF-SFHVURJKSA-N 2 1 333.520 2.988 10 30 EFEEMP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001270778101 1099552708 /nfs/dbraw/zinc/55/27/08/1099552708.db2.gz FCIQCUDSDBUDFY-PZJWPPBQSA-N 2 1 345.531 2.635 10 30 EFEEMP C=CCCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001279136514 1099559147 /nfs/dbraw/zinc/55/91/47/1099559147.db2.gz LCDYPOWUNQKRMQ-YTQUADARSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001481399922 1099620685 /nfs/dbraw/zinc/62/06/85/1099620685.db2.gz ODHRGTATBKFQHZ-CEXWTWQISA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001481399922 1099620689 /nfs/dbraw/zinc/62/06/89/1099620689.db2.gz ODHRGTATBKFQHZ-CEXWTWQISA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001481399922 1099620694 /nfs/dbraw/zinc/62/06/94/1099620694.db2.gz ODHRGTATBKFQHZ-CEXWTWQISA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001270854410 1099725993 /nfs/dbraw/zinc/72/59/93/1099725993.db2.gz RWHFQFGPZRGIJZ-OAQYLSRUSA-N 2 1 343.515 2.913 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001270854410 1099726002 /nfs/dbraw/zinc/72/60/02/1099726002.db2.gz RWHFQFGPZRGIJZ-OAQYLSRUSA-N 2 1 343.515 2.913 10 30 EFEEMP C#CC[NH+]1CCCN(C(=O)c2ccc(C[N@@H+](CC)C(C)C)cc2)CC1 ZINC001629537000 1100221158 /nfs/dbraw/zinc/22/11/58/1100221158.db2.gz MTLRIEXUJZZBNM-UHFFFAOYSA-N 2 1 341.499 2.698 10 30 EFEEMP C#CC[NH+]1CCCN(C(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)CC1 ZINC001629537000 1100221162 /nfs/dbraw/zinc/22/11/62/1100221162.db2.gz MTLRIEXUJZZBNM-UHFFFAOYSA-N 2 1 341.499 2.698 10 30 EFEEMP C#CC[N@H+]1CCCN(C(=O)c2ccc(C[NH+](CC)C(C)C)cc2)CC1 ZINC001629537000 1100221165 /nfs/dbraw/zinc/22/11/65/1100221165.db2.gz MTLRIEXUJZZBNM-UHFFFAOYSA-N 2 1 341.499 2.698 10 30 EFEEMP C#CC[N@@H+]1CCCN(C(=O)c2ccc(C[NH+](CC)C(C)C)cc2)CC1 ZINC001629537000 1100221169 /nfs/dbraw/zinc/22/11/69/1100221169.db2.gz MTLRIEXUJZZBNM-UHFFFAOYSA-N 2 1 341.499 2.698 10 30 EFEEMP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001270959149 1100313706 /nfs/dbraw/zinc/31/37/06/1100313706.db2.gz SXFWXHASPIWIMP-YLJYHZDGSA-N 2 1 344.503 2.638 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001270959149 1100313717 /nfs/dbraw/zinc/31/37/17/1100313717.db2.gz SXFWXHASPIWIMP-YLJYHZDGSA-N 2 1 344.503 2.638 10 30 EFEEMP C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001271017403 1100379830 /nfs/dbraw/zinc/37/98/30/1100379830.db2.gz PRJWDQBDVOASNF-FQEVSTJZSA-N 2 1 345.487 2.587 10 30 EFEEMP C=CC[N@H+](C)CCN(CC)C(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC001640020180 1101005964 /nfs/dbraw/zinc/00/59/64/1101005964.db2.gz 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C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[C@H]3CCC[N@H+]31)CC2 ZINC001666834442 1105004405 /nfs/dbraw/zinc/00/44/05/1105004405.db2.gz IFKNPMHVPOQJFT-RBUKOAKNSA-N 2 1 345.531 2.894 10 30 EFEEMP CC[N@@H+](C)CCC(=O)N[C@H](C)CC[NH2+]CC#Cc1ccccc1Cl ZINC001482885711 1105134793 /nfs/dbraw/zinc/13/47/93/1105134793.db2.gz KDPJLSXVJQSZMQ-MRXNPFEDSA-N 2 1 349.906 2.518 10 30 EFEEMP C=C(C)CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001667412984 1105143243 /nfs/dbraw/zinc/14/32/43/1105143243.db2.gz HNTKDTYMVXIDJN-FQEVSTJZSA-N 2 1 347.547 2.855 10 30 EFEEMP C=CCC[C@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001482950143 1105246487 /nfs/dbraw/zinc/24/64/87/1105246487.db2.gz HEYWJTKQZKXKQI-DOTOQJQBSA-N 2 1 332.492 2.547 10 30 EFEEMP C=CCCC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001671419429 1105634694 /nfs/dbraw/zinc/63/46/94/1105634694.db2.gz OWLXPOIOFZFBTR-MSOLQXFVSA-N 2 1 333.520 2.940 10 30 EFEEMP C#CCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C1CC[NH+](CCC(C)C)CC1 ZINC001671481652 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ILGQGLKQUCOCKO-IBGZPJMESA-N 2 1 333.520 2.657 10 30 EFEEMP C=CCCC[NH+]1CCC[C@](C)(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001671916080 1105730008 /nfs/dbraw/zinc/73/00/08/1105730008.db2.gz DYSXMNAXHKXXPW-UXHICEINSA-N 2 1 333.520 2.657 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001671916080 1105730011 /nfs/dbraw/zinc/73/00/11/1105730011.db2.gz DYSXMNAXHKXXPW-UXHICEINSA-N 2 1 333.520 2.657 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001671916080 1105730016 /nfs/dbraw/zinc/73/00/16/1105730016.db2.gz DYSXMNAXHKXXPW-UXHICEINSA-N 2 1 333.520 2.657 10 30 EFEEMP C=CCCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001672315522 1105799210 /nfs/dbraw/zinc/79/92/10/1105799210.db2.gz NGZMUDMYYGGXEX-IRXDYDNUSA-N 2 1 332.492 2.657 10 30 EFEEMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001672355918 1105812096 /nfs/dbraw/zinc/81/20/96/1105812096.db2.gz KESDKIMASFZXQW-BCDXTJNWSA-N 2 1 344.503 2.942 10 30 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ZINC001673650685 1106067698 /nfs/dbraw/zinc/06/76/98/1106067698.db2.gz MJDOEYROZDKZBI-QUCCMNQESA-N 2 1 333.520 2.609 10 30 EFEEMP C=CC[N@H+]1Cc2ccc(CNC(=O)C[NH+]3CCC(C)CC3)cc2C1 ZINC001673769198 1106084975 /nfs/dbraw/zinc/08/49/75/1106084975.db2.gz AEKRQBRNCISZEX-UHFFFAOYSA-N 2 1 327.472 2.536 10 30 EFEEMP C=CC[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3CCC(C)CC3)cc2C1 ZINC001673769198 1106084979 /nfs/dbraw/zinc/08/49/79/1106084979.db2.gz AEKRQBRNCISZEX-UHFFFAOYSA-N 2 1 327.472 2.536 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC001674029082 1106126791 /nfs/dbraw/zinc/12/67/91/1106126791.db2.gz PFWUMHPOJYUAAY-AEFFLSMTSA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(C)CC[N@H+](CC)CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001674354137 1106176326 /nfs/dbraw/zinc/17/63/26/1106176326.db2.gz WPVLNVYEFOCURV-UHFFFAOYSA-N 2 1 333.520 2.609 10 30 EFEEMP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)Cc1ccccc1 ZINC001674499538 1106207307 /nfs/dbraw/zinc/20/73/07/1106207307.db2.gz 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C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001674510038 1106211479 /nfs/dbraw/zinc/21/14/79/1106211479.db2.gz ASTARCDTMGXVSD-LJQANCHMSA-N 2 1 335.536 2.855 10 30 EFEEMP CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)CC#Cc1ccccc1)[NH+](CC)CC ZINC001674997163 1106287973 /nfs/dbraw/zinc/28/79/73/1106287973.db2.gz POZHHMBMZYFCEQ-UYAOXDASSA-N 2 1 343.515 2.595 10 30 EFEEMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)CC#Cc1ccccc1)[NH+](CC)CC ZINC001674997163 1106287975 /nfs/dbraw/zinc/28/79/75/1106287975.db2.gz POZHHMBMZYFCEQ-UYAOXDASSA-N 2 1 343.515 2.595 10 30 EFEEMP C#CC[NH2+][C@@H](CCN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1)C(C)C ZINC001675130000 1106305636 /nfs/dbraw/zinc/30/56/36/1106305636.db2.gz RGQPYYICCOUACW-SFHVURJKSA-N 2 1 335.536 2.735 10 30 EFEEMP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001675276249 1106332796 /nfs/dbraw/zinc/33/27/96/1106332796.db2.gz ZZIVGQUDPUZSMA-HXUWFJFHSA-N 2 1 341.499 2.503 10 30 EFEEMP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001675276249 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C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCCCCC=C)C(C)(C)C1 ZINC001677004402 1106647261 /nfs/dbraw/zinc/64/72/61/1106647261.db2.gz UOBPETOHYHJLSP-OALUTQOASA-N 2 1 345.531 2.657 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCCCCC=C)C(C)(C)C1 ZINC001677004402 1106647263 /nfs/dbraw/zinc/64/72/63/1106647263.db2.gz UOBPETOHYHJLSP-OALUTQOASA-N 2 1 345.531 2.657 10 30 EFEEMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1(C)C ZINC001677018285 1106649143 /nfs/dbraw/zinc/64/91/43/1106649143.db2.gz AAGNCTOXABPDPW-RTBURBONSA-N 2 1 345.531 2.633 10 30 EFEEMP C=CCC[N@H+](C)CCN(C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C(C)C ZINC001677211615 1106676936 /nfs/dbraw/zinc/67/69/36/1106676936.db2.gz SFPJYXYXSUZREQ-IBGZPJMESA-N 2 1 341.515 2.944 10 30 EFEEMP C=CCC[NH+](C)CCN(C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C(C)C ZINC001677211615 1106676941 /nfs/dbraw/zinc/67/69/41/1106676941.db2.gz SFPJYXYXSUZREQ-IBGZPJMESA-N 2 1 341.515 2.944 10 30 EFEEMP C=CCC[NH+](C)CCN(C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001677211615 1106676945 /nfs/dbraw/zinc/67/69/45/1106676945.db2.gz SFPJYXYXSUZREQ-IBGZPJMESA-N 2 1 341.515 2.944 10 30 EFEEMP C=CCNC1(CNC(=O)C(C)(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC001677371265 1106706780 /nfs/dbraw/zinc/70/67/80/1106706780.db2.gz FZDVFYGPDAKBJM-UHFFFAOYSA-N 2 1 343.515 2.959 10 30 EFEEMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)CC[C@@H]21 ZINC001272216024 1107909452 /nfs/dbraw/zinc/90/94/52/1107909452.db2.gz NOIZLBNBMWMXJT-OALUTQOASA-N 2 1 347.547 2.997 10 30 EFEEMP C=C(C)C[NH+]1CCC([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000905097053 1108427057 /nfs/dbraw/zinc/42/70/57/1108427057.db2.gz NXJOCLMDMQMSDC-LBPRGKRZSA-N 2 1 330.341 2.565 10 30 EFEEMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2ccc3cc[nH]c3c2)CC1 ZINC000905096297 1108427321 /nfs/dbraw/zinc/42/73/21/1108427321.db2.gz LXDFQKYQIAJKKF-SFHVURJKSA-N 2 1 343.471 2.538 10 30 EFEEMP C=CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001272565866 1108673508 /nfs/dbraw/zinc/67/35/08/1108673508.db2.gz PIFCSBNZROWBCU-QFBILLFUSA-N 2 1 339.499 2.603 10 30 EFEEMP C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001272675004 1112386056 /nfs/dbraw/zinc/38/60/56/1112386056.db2.gz CQPYEIYXEKVAOF-UHFFFAOYSA-N 2 1 329.488 2.653 10 30 EFEEMP C#CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001483802322 1112465692 /nfs/dbraw/zinc/46/56/92/1112465692.db2.gz PJSLANFJLIMTBP-PMACEKPBSA-N 2 1 345.531 2.589 10 30 EFEEMP C#CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001483802324 1112465733 /nfs/dbraw/zinc/46/57/33/1112465733.db2.gz PJSLANFJLIMTBP-VQTJNVASSA-N 2 1 345.531 2.589 10 30 EFEEMP C=C(C)CC[N@@H+](CC1CC1)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001483817787 1112468149 /nfs/dbraw/zinc/46/81/49/1112468149.db2.gz ZCDDJBLTFKNNJO-UHFFFAOYSA-N 2 1 345.531 2.751 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001483936367 1112577395 /nfs/dbraw/zinc/57/73/95/1112577395.db2.gz KFXGTILMCBCMOL-INIZCTEOSA-N 2 1 341.927 2.973 10 30 EFEEMP C=CCCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001483971631 1112602826 /nfs/dbraw/zinc/60/28/26/1112602826.db2.gz VLECKSVZSUEMTK-QGZVFWFLSA-N 2 1 344.503 2.691 10 30 EFEEMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001483977058 1112618872 /nfs/dbraw/zinc/61/88/72/1112618872.db2.gz SJAKPAPACPUIBW-HUUCEWRRSA-N 2 1 327.900 2.582 10 30 EFEEMP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1ccc2ccccc2c1 ZINC001483992948 1112642206 /nfs/dbraw/zinc/64/22/06/1112642206.db2.gz RZLXGTIDFWNFHC-RTWAWAEBSA-N 2 1 349.478 2.562 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001484169160 1112876559 /nfs/dbraw/zinc/87/65/59/1112876559.db2.gz TWONFJHLYIDKLV-PXNSSMCTSA-N 2 1 344.503 2.548 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001484169160 1112876564 /nfs/dbraw/zinc/87/65/64/1112876564.db2.gz TWONFJHLYIDKLV-PXNSSMCTSA-N 2 1 344.503 2.548 10 30 EFEEMP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001484548691 1113000957 /nfs/dbraw/zinc/00/09/57/1113000957.db2.gz XTXJEPIYLZMLKI-ICSRJNTNSA-N 2 1 341.499 2.531 10 30 EFEEMP C#CCC[NH2+]C1(CC)CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001484819781 1117753805 /nfs/dbraw/zinc/75/38/05/1117753805.db2.gz AGQXBNKGDXNKOT-UHFFFAOYSA-N 2 1 341.499 2.503 10 30 EFEEMP C#CCC[NH2+]C1(CC)CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001484819781 1117753809 /nfs/dbraw/zinc/75/38/09/1117753809.db2.gz AGQXBNKGDXNKOT-UHFFFAOYSA-N 2 1 341.499 2.503 10 30 EFEEMP C=C(C)C[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001484824110 1117760237 /nfs/dbraw/zinc/76/02/37/1117760237.db2.gz OANZOFOFTJTSGT-FQEVSTJZSA-N 2 1 343.515 2.838 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC001484940919 1117865920 /nfs/dbraw/zinc/86/59/20/1117865920.db2.gz SEZJKFJFBGPXPK-SFHVURJKSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)CC[NH+](C)C ZINC001485004424 1117934356 /nfs/dbraw/zinc/93/43/56/1117934356.db2.gz NNKZDRQPSDYHGE-LJQANCHMSA-N 2 1 329.488 2.620 10 30 EFEEMP C#CC[N@H+](CC)CC1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001485032871 1117965071 /nfs/dbraw/zinc/96/50/71/1117965071.db2.gz MWERTUAKSKKMHY-UHFFFAOYSA-N 2 1 341.499 2.556 10 30 EFEEMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001485066956 1117989011 /nfs/dbraw/zinc/98/90/11/1117989011.db2.gz FFGGMADUIIAHPM-WOJBJXKFSA-N 2 1 345.531 2.730 10 30 EFEEMP CC#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001485066956 1117989014 /nfs/dbraw/zinc/98/90/14/1117989014.db2.gz FFGGMADUIIAHPM-WOJBJXKFSA-N 2 1 345.531 2.730 10 30 EFEEMP CC#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001485066956 1117989016 /nfs/dbraw/zinc/98/90/16/1117989016.db2.gz FFGGMADUIIAHPM-WOJBJXKFSA-N 2 1 345.531 2.730 10 30 EFEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001485066955 1117989202 /nfs/dbraw/zinc/98/92/02/1117989202.db2.gz FFGGMADUIIAHPM-VQTJNVASSA-N 2 1 345.531 2.730 10 30 EFEEMP CC#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001485066955 1117989205 /nfs/dbraw/zinc/98/92/05/1117989205.db2.gz FFGGMADUIIAHPM-VQTJNVASSA-N 2 1 345.531 2.730 10 30 EFEEMP CC#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001485066955 1117989208 /nfs/dbraw/zinc/98/92/08/1117989208.db2.gz FFGGMADUIIAHPM-VQTJNVASSA-N 2 1 345.531 2.730 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC/C=C\CCC ZINC001485059532 1117998629 /nfs/dbraw/zinc/99/86/29/1117998629.db2.gz JHVYPHZYTFNEGA-COJDAZNPSA-N 2 1 345.531 2.753 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC/C=C\CCC ZINC001485059532 1117998631 /nfs/dbraw/zinc/99/86/31/1117998631.db2.gz JHVYPHZYTFNEGA-COJDAZNPSA-N 2 1 345.531 2.753 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC/C=C\CCC ZINC001485059532 1117998634 /nfs/dbraw/zinc/99/86/34/1117998634.db2.gz JHVYPHZYTFNEGA-COJDAZNPSA-N 2 1 345.531 2.753 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC/C=C\CCC ZINC001485059532 1117998637 /nfs/dbraw/zinc/99/86/37/1117998637.db2.gz JHVYPHZYTFNEGA-COJDAZNPSA-N 2 1 345.531 2.753 10 30 EFEEMP C=CC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001485081524 1118030844 /nfs/dbraw/zinc/03/08/44/1118030844.db2.gz FCYMCSNXZWOJFX-QZTJIDSGSA-N 2 1 335.536 2.711 10 30 EFEEMP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001485081524 1118030848 /nfs/dbraw/zinc/03/08/48/1118030848.db2.gz FCYMCSNXZWOJFX-QZTJIDSGSA-N 2 1 335.536 2.711 10 30 EFEEMP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001485081524 1118030853 /nfs/dbraw/zinc/03/08/53/1118030853.db2.gz FCYMCSNXZWOJFX-QZTJIDSGSA-N 2 1 335.536 2.711 10 30 EFEEMP CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC001485432753 1118344941 /nfs/dbraw/zinc/34/49/41/1118344941.db2.gz BWJMHXZULMDOSX-VQTJNVASSA-N 2 1 347.547 2.879 10 30 EFEEMP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCn3cc[nH+]c3C)C[C@@H]2C1 ZINC001485659332 1118509424 /nfs/dbraw/zinc/50/94/24/1118509424.db2.gz ZSQXESOQLYVMKN-IPMKNSEASA-N 2 1 344.503 2.765 10 30 EFEEMP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCn3cc[nH+]c3C)C[C@@H]2C1 ZINC001485659332 1118509427 /nfs/dbraw/zinc/50/94/27/1118509427.db2.gz ZSQXESOQLYVMKN-IPMKNSEASA-N 2 1 344.503 2.765 10 30 EFEEMP CC#CC[NH+](C)C1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001485766664 1118578897 /nfs/dbraw/zinc/57/88/97/1118578897.db2.gz MFRXAALRNKUAHE-HXUWFJFHSA-N 2 1 341.499 2.626 10 30 EFEEMP CC#CC[N@@H+](C)C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001485766664 1118578899 /nfs/dbraw/zinc/57/88/99/1118578899.db2.gz MFRXAALRNKUAHE-HXUWFJFHSA-N 2 1 341.499 2.626 10 30 EFEEMP CC#CC[N@H+](C)C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001485766664 1118578901 /nfs/dbraw/zinc/57/89/01/1118578901.db2.gz MFRXAALRNKUAHE-HXUWFJFHSA-N 2 1 341.499 2.626 10 30 EFEEMP C=CC[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000941027079 1118657506 /nfs/dbraw/zinc/65/75/06/1118657506.db2.gz RRGGUVXNLSNAJK-HNAYVOBHSA-N 2 1 339.499 2.602 10 30 EFEEMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000941027079 1118657509 /nfs/dbraw/zinc/65/75/09/1118657509.db2.gz RRGGUVXNLSNAJK-HNAYVOBHSA-N 2 1 339.499 2.602 10 30 EFEEMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000941027079 1118657512 /nfs/dbraw/zinc/65/75/12/1118657512.db2.gz RRGGUVXNLSNAJK-HNAYVOBHSA-N 2 1 339.499 2.602 10 30 EFEEMP C=CCC[C@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001272727091 1119570988 /nfs/dbraw/zinc/57/09/88/1119570988.db2.gz PRIFSBSHAFDSJN-XCDZQEORSA-N 2 1 335.536 2.946 10 30 EFEEMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)CC1 ZINC000245591937 240257524 /nfs/dbraw/zinc/25/75/24/240257524.db2.gz BEIFAGZMMCCFCH-MOPGFXCFSA-N 2 1 348.535 2.684 10 30 EFEEMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000247549924 240282711 /nfs/dbraw/zinc/28/27/11/240282711.db2.gz DWZNHRRBAJFIKY-IAGOWNOFSA-N 2 1 332.492 2.896 10 30 EFEEMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000247549924 240282716 /nfs/dbraw/zinc/28/27/16/240282716.db2.gz DWZNHRRBAJFIKY-IAGOWNOFSA-N 2 1 332.492 2.896 10 30 EFEEMP CC[NH+]=C(NCc1ccc2c(c1)COC2)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000262010605 240338753 /nfs/dbraw/zinc/33/87/53/240338753.db2.gz WMMFUPDNQXWVEY-HNAYVOBHSA-N 2 1 344.503 2.501 10 30 EFEEMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCn3cc(C)nc32)[C@H](C)C1 ZINC000328656406 241213770 /nfs/dbraw/zinc/21/37/70/241213770.db2.gz NUZWAPSQWXYFJW-PVAVHDDUSA-N 2 1 347.507 2.645 10 30 EFEEMP C=CCOc1ccccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000355214376 242024861 /nfs/dbraw/zinc/02/48/61/242024861.db2.gz AISNIGVBQWVZRP-WSTZPKSXSA-N 2 1 330.472 2.935 10 30 EFEEMP C=CCOc1ccccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000355214376 242024870 /nfs/dbraw/zinc/02/48/70/242024870.db2.gz AISNIGVBQWVZRP-WSTZPKSXSA-N 2 1 330.472 2.935 10 30 EFEEMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2C#N)[C@H](C)C1 ZINC000081095195 217361319 /nfs/dbraw/zinc/36/13/19/217361319.db2.gz ADPLQSUCHPUUBN-QAPCUYQASA-N 2 1 328.460 2.549 10 30 EFEEMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccccc2C#N)[C@H](C)C1 ZINC000081095195 217361323 /nfs/dbraw/zinc/36/13/23/217361323.db2.gz ADPLQSUCHPUUBN-QAPCUYQASA-N 2 1 328.460 2.549 10 30 EFEEMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2C#N)[C@H](C)C1 ZINC000081095195 217361326 /nfs/dbraw/zinc/36/13/26/217361326.db2.gz ADPLQSUCHPUUBN-QAPCUYQASA-N 2 1 328.460 2.549 10 30 EFEEMP CCCCCCC[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000157959483 472878347 /nfs/dbraw/zinc/87/83/47/472878347.db2.gz GMLKMFJGGUHACQ-IBGZPJMESA-N 2 1 325.541 2.684 10 30 EFEEMP CCCCCCC[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000157959342 472879006 /nfs/dbraw/zinc/87/90/06/472879006.db2.gz GMLKMFJGGUHACQ-LJQANCHMSA-N 2 1 325.541 2.684 10 30 EFEEMP C[N@@H+](CCCNCc1cnc2ccc(C#N)cn12)Cc1ccccc1 ZINC000123192253 473108924 /nfs/dbraw/zinc/10/89/24/473108924.db2.gz WTMLIJRVXUDPJJ-UHFFFAOYSA-N 2 1 333.439 2.818 10 30 EFEEMP CN(CCC[NH2+]Cc1cnc2ccc(C#N)cn12)Cc1ccccc1 ZINC000123192253 473108926 /nfs/dbraw/zinc/10/89/26/473108926.db2.gz WTMLIJRVXUDPJJ-UHFFFAOYSA-N 2 1 333.439 2.818 10 30 EFEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000178747093 473553537 /nfs/dbraw/zinc/55/35/37/473553537.db2.gz KZZBRFORCPTGST-GOSISDBHSA-N 2 1 337.427 2.556 10 30 EFEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000178747093 473553541 /nfs/dbraw/zinc/55/35/41/473553541.db2.gz KZZBRFORCPTGST-GOSISDBHSA-N 2 1 337.427 2.556 10 30 EFEEMP CC(C)[N@H+]1C[C@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@@H](C)C1 ZINC000182011921 474080124 /nfs/dbraw/zinc/08/01/24/474080124.db2.gz GKMGNXDRZMDOIU-UWJYYQICSA-N 2 1 340.515 2.841 10 30 EFEEMP CC(C)[N@@H+]1C[C@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@@H](C)C1 ZINC000182011921 474080126 /nfs/dbraw/zinc/08/01/26/474080126.db2.gz GKMGNXDRZMDOIU-UWJYYQICSA-N 2 1 340.515 2.841 10 30 EFEEMP N#CCCOCCN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000292858092 474679718 /nfs/dbraw/zinc/67/97/18/474679718.db2.gz RFWQCSZUCANOJY-PMACEKPBSA-N 2 1 327.472 2.903 10 30 EFEEMP N#CCCOCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000292858092 474679724 /nfs/dbraw/zinc/67/97/24/474679724.db2.gz RFWQCSZUCANOJY-PMACEKPBSA-N 2 1 327.472 2.903 10 30 EFEEMP N#CCCOCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000292858092 474679729 /nfs/dbraw/zinc/67/97/29/474679729.db2.gz RFWQCSZUCANOJY-PMACEKPBSA-N 2 1 327.472 2.903 10 30 EFEEMP N#CCCOCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000292858092 474679734 /nfs/dbraw/zinc/67/97/34/474679734.db2.gz RFWQCSZUCANOJY-PMACEKPBSA-N 2 1 327.472 2.903 10 30 EFEEMP N#CCCOCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000292858092 474679740 /nfs/dbraw/zinc/67/97/40/474679740.db2.gz RFWQCSZUCANOJY-PMACEKPBSA-N 2 1 327.472 2.903 10 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C=CC[C@]1(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)CCC[NH2+]1 ZINC000662797053 481974233 /nfs/dbraw/zinc/97/42/33/481974233.db2.gz GDWALVOSUHCIEA-YQVWRLOYSA-N 2 1 347.890 2.900 10 30 EFEEMP C=CCOc1ccc(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)cc1 ZINC000355649164 534883329 /nfs/dbraw/zinc/88/33/29/534883329.db2.gz GBJQRELAPNXZQJ-UHFFFAOYSA-N 2 1 339.439 2.977 10 30 EFEEMP C=CCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000355207529 534883544 /nfs/dbraw/zinc/88/35/44/534883544.db2.gz ODOQIPIXUBQUQK-YZGWKJHDSA-N 2 1 330.472 2.935 10 30 EFEEMP C=CCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000355207529 534883546 /nfs/dbraw/zinc/88/35/46/534883546.db2.gz ODOQIPIXUBQUQK-YZGWKJHDSA-N 2 1 330.472 2.935 10 30 EFEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(-c2ccccn2)c1 ZINC000160784326 529074064 /nfs/dbraw/zinc/07/40/64/529074064.db2.gz JONLVCPFOPFDRE-GOSISDBHSA-N 2 1 337.471 2.637 10 30 EFEEMP COCC[N@H+](C)CCC[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000352841424 536798036 /nfs/dbraw/zinc/79/80/36/536798036.db2.gz REJKCKVZSBYHJW-UHFFFAOYSA-N 2 1 329.366 2.635 10 30 EFEEMP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000352841424 536798041 /nfs/dbraw/zinc/79/80/41/536798041.db2.gz REJKCKVZSBYHJW-UHFFFAOYSA-N 2 1 329.366 2.635 10 30 EFEEMP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001691356535 1248692200 /nfs/dbraw/zinc/69/22/00/1248692200.db2.gz UHVFNNVIEWHMHO-KURKYZTESA-N 2 1 344.503 2.637 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001691409925 1248747986 /nfs/dbraw/zinc/74/79/86/1248747986.db2.gz JJVFBDGQKJZQAR-YLJYHZDGSA-N 2 1 347.547 2.996 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)[C@@H]21 ZINC001691429093 1248882664 /nfs/dbraw/zinc/88/26/64/1248882664.db2.gz UYZMNIGYQGHDSI-BHIYHBOVSA-N 2 1 335.536 2.900 10 30 EFEEMP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C1CCCCC1 ZINC001691790747 1249607229 /nfs/dbraw/zinc/60/72/29/1249607229.db2.gz 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C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+](C)CC(C)(C)C)C2)CC1 ZINC001691277223 1248588444 /nfs/dbraw/zinc/58/84/44/1248588444.db2.gz SZRYAAHMGNEMMU-SFHVURJKSA-N 2 1 347.547 2.691 10 30 EFEEMP C=CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001691305129 1248636706 /nfs/dbraw/zinc/63/67/06/1248636706.db2.gz JGOYGQFCACCKHD-AEFFLSMTSA-N 2 1 332.492 2.765 10 30 EFEEMP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001691594841 1251805762 /nfs/dbraw/zinc/80/57/62/1251805762.db2.gz DFWNWOUMXIYFSJ-SCTDSRPQSA-N 2 1 333.520 2.844 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001691633552 1251894720 /nfs/dbraw/zinc/89/47/20/1251894720.db2.gz FSXXNGLDYNRSJT-DLBZAZTESA-N 2 1 332.492 2.847 10 30 EFEEMP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001484113612 1252265087 /nfs/dbraw/zinc/26/50/87/1252265087.db2.gz AVPXBDBEKLSTJQ-OAQYLSRUSA-N 2 1 343.515 2.565 10 30 EFEEMP C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)CC[N@H+](C)CCC)C2)CC1 ZINC001484323331 1252392749 /nfs/dbraw/zinc/39/27/49/1252392749.db2.gz KEXBSFVDERBVJE-HXUWFJFHSA-N 2 1 347.547 2.692 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001484389357 1252513967 /nfs/dbraw/zinc/51/39/67/1252513967.db2.gz GEXNCZXOHROBLA-QXCZDIPSSA-N 2 1 333.520 2.795 10 30 EFEEMP C=CCC[C@H](C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001484389357 1252513970 /nfs/dbraw/zinc/51/39/70/1252513970.db2.gz GEXNCZXOHROBLA-QXCZDIPSSA-N 2 1 333.520 2.795 10 30 EFEEMP C=CCC[C@H](C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001484389357 1252513977 /nfs/dbraw/zinc/51/39/77/1252513977.db2.gz GEXNCZXOHROBLA-QXCZDIPSSA-N 2 1 333.520 2.795 10 30 EFEEMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC001484411147 1252552882 /nfs/dbraw/zinc/55/28/82/1252552882.db2.gz AKLCZYIBRIMMRL-QRVBRYPASA-N 2 1 333.520 2.607 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC/C=C/CC)CC2)CC1 ZINC001484727856 1252818660 /nfs/dbraw/zinc/81/86/60/1252818660.db2.gz HDFJXSGNGDZRBV-XJDXJNMNSA-N 2 1 345.531 2.659 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)[C@H](C)c1ccccc1 ZINC001484745718 1252858100 /nfs/dbraw/zinc/85/81/00/1252858100.db2.gz QEYYDJVXSKINCE-QUCCMNQESA-N 2 1 341.499 2.626 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)[C@H](C)c1ccccc1 ZINC001484745718 1252858107 /nfs/dbraw/zinc/85/81/07/1252858107.db2.gz QEYYDJVXSKINCE-QUCCMNQESA-N 2 1 341.499 2.626 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)[C@H](C)c1ccccc1 ZINC001484745718 1252858116 /nfs/dbraw/zinc/85/81/16/1252858116.db2.gz QEYYDJVXSKINCE-QUCCMNQESA-N 2 1 341.499 2.626 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)[C@H](C)c1ccccc1 ZINC001484745718 1252858126 /nfs/dbraw/zinc/85/81/26/1252858126.db2.gz QEYYDJVXSKINCE-QUCCMNQESA-N 2 1 341.499 2.626 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001484772326 1252945290 /nfs/dbraw/zinc/94/52/90/1252945290.db2.gz QRXLPTFACKSUNR-RBUKOAKNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CC[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001484772335 1252945946 /nfs/dbraw/zinc/94/59/46/1252945946.db2.gz QWPHNWMKRUBCMN-RTBURBONSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001484772335 1252945952 /nfs/dbraw/zinc/94/59/52/1252945952.db2.gz QWPHNWMKRUBCMN-RTBURBONSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001484772335 1252945967 /nfs/dbraw/zinc/94/59/67/1252945967.db2.gz QWPHNWMKRUBCMN-RTBURBONSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001485827537 1257000373 /nfs/dbraw/zinc/00/03/73/1257000373.db2.gz PLCLUDAWSRNRDE-QFBILLFUSA-N 2 1 339.499 2.602 10 30 EFEEMP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001273027305 1266189112 /nfs/dbraw/zinc/18/91/12/1266189112.db2.gz RWKOYQXXWOQUPO-NXHRZFHOSA-N 2 1 349.906 2.569 10 30 EFEEMP C=C(C)CC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001687475772 1258514982 /nfs/dbraw/zinc/51/49/82/1258514982.db2.gz TWRWGYUSJJEZER-GOSISDBHSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001670923568 1258701822 /nfs/dbraw/zinc/70/18/22/1258701822.db2.gz NTOTYCOGHBFJHE-ZWKOTPCHSA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cn1c[nH+]cc1C ZINC001670936947 1258771447 /nfs/dbraw/zinc/77/14/47/1258771447.db2.gz BGHRVBAJWVARCY-AYHJJNSGSA-N 2 1 330.476 2.659 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001671698140 1259420170 /nfs/dbraw/zinc/42/01/70/1259420170.db2.gz BUVQSUIZYLGHPV-HXUWFJFHSA-N 2 1 329.488 2.665 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001671698140 1259420174 /nfs/dbraw/zinc/42/01/74/1259420174.db2.gz BUVQSUIZYLGHPV-HXUWFJFHSA-N 2 1 329.488 2.665 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001671698140 1259420180 /nfs/dbraw/zinc/42/01/80/1259420180.db2.gz BUVQSUIZYLGHPV-HXUWFJFHSA-N 2 1 329.488 2.665 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001671698140 1259420189 /nfs/dbraw/zinc/42/01/89/1259420189.db2.gz BUVQSUIZYLGHPV-HXUWFJFHSA-N 2 1 329.488 2.665 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001671038552 1259821545 /nfs/dbraw/zinc/82/15/45/1259821545.db2.gz DTIHHROTLQPARH-MJGOQNOKSA-N 2 1 339.499 2.557 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001671039567 1259843847 /nfs/dbraw/zinc/84/38/47/1259843847.db2.gz OYZFYVYZYQTYEL-AZUAARDMSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001671044086 1259930352 /nfs/dbraw/zinc/93/03/52/1259930352.db2.gz BATAKSJXPVNYNR-ICSRJNTNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001671044086 1259930360 /nfs/dbraw/zinc/93/03/60/1259930360.db2.gz BATAKSJXPVNYNR-ICSRJNTNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001671044086 1259930369 /nfs/dbraw/zinc/93/03/69/1259930369.db2.gz BATAKSJXPVNYNR-ICSRJNTNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CC[N@@H+]1CCc2c(CNC(=O)[C@H](CC)[NH+](CC)CC)cccc2C1 ZINC001272917321 1261330557 /nfs/dbraw/zinc/33/05/57/1261330557.db2.gz SRLYMPKTBQZTDU-FQEVSTJZSA-N 2 1 343.515 2.967 10 30 EFEEMP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]21 ZINC001486165571 1262727137 /nfs/dbraw/zinc/72/71/37/1262727137.db2.gz GXGKDGBNLYPAGD-GBESFXJTSA-N 2 1 344.503 2.765 10 30 EFEEMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001486247647 1262851683 /nfs/dbraw/zinc/85/16/83/1262851683.db2.gz JGLNCEWNKCAKIV-QZTJIDSGSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)C[N@@H+](C)CCN(C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1)C(C)C ZINC001486370120 1262967842 /nfs/dbraw/zinc/96/78/42/1262967842.db2.gz REIUANNOUJVDEL-SFHVURJKSA-N 2 1 347.507 2.535 10 30 EFEEMP C=C(C)C[N@H+](C)CCN(C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1)C(C)C ZINC001486370120 1262967848 /nfs/dbraw/zinc/96/78/48/1262967848.db2.gz REIUANNOUJVDEL-SFHVURJKSA-N 2 1 347.507 2.535 10 30 EFEEMP C=C(C)C[NH+](C)CCN(C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1)C(C)C ZINC001486370120 1262967855 /nfs/dbraw/zinc/96/78/55/1262967855.db2.gz REIUANNOUJVDEL-SFHVURJKSA-N 2 1 347.507 2.535 10 30 EFEEMP C=C(C)C[NH+](C)CCN(C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1)C(C)C ZINC001486370120 1262967860 /nfs/dbraw/zinc/96/78/60/1262967860.db2.gz REIUANNOUJVDEL-SFHVURJKSA-N 2 1 347.507 2.535 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001486446432 1263132178 /nfs/dbraw/zinc/13/21/78/1263132178.db2.gz KYIOQWRGHSAKEM-BJLQDIEVSA-N 2 1 345.531 2.655 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001486446432 1263132180 /nfs/dbraw/zinc/13/21/80/1263132180.db2.gz KYIOQWRGHSAKEM-BJLQDIEVSA-N 2 1 345.531 2.655 10 30 EFEEMP C=CCCC[NH2+]C1CC(N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001486476603 1263202910 /nfs/dbraw/zinc/20/29/10/1263202910.db2.gz GJQFWGKPZHEGHP-LADRWXRNSA-N 2 1 339.499 2.744 10 30 EFEEMP C=CCCn1cc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)nn1 ZINC000872156099 1287451467 /nfs/dbraw/zinc/45/14/67/1287451467.db2.gz DTVSAXCVJPABSO-LPHOPBHVSA-N 2 1 331.508 2.974 10 30 EFEEMP C=CCCn1cc(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)nn1 ZINC000872156099 1287451473 /nfs/dbraw/zinc/45/14/73/1287451473.db2.gz DTVSAXCVJPABSO-LPHOPBHVSA-N 2 1 331.508 2.974 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001671085317 1281423699 /nfs/dbraw/zinc/42/36/99/1281423699.db2.gz OFQQMARERNFCIM-PZJWPPBQSA-N 2 1 347.547 2.997 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC001137552959 1281478232 /nfs/dbraw/zinc/47/82/32/1281478232.db2.gz IKJBFBAQOXHCPW-ZWKOTPCHSA-N 2 1 329.488 2.616 10 30 EFEEMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cnc3ccc(C#N)cn23)cc1 ZINC000809738571 1282437511 /nfs/dbraw/zinc/43/75/11/1282437511.db2.gz ZIEMHVGTKNEWDN-UHFFFAOYSA-N 2 1 333.439 2.900 10 30 EFEEMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cnc3ccc(C#N)cn23)cc1 ZINC000809738571 1282437516 /nfs/dbraw/zinc/43/75/16/1282437516.db2.gz ZIEMHVGTKNEWDN-UHFFFAOYSA-N 2 1 333.439 2.900 10 30 EFEEMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC001178826312 1288930390 /nfs/dbraw/zinc/93/03/90/1288930390.db2.gz ARXOWXVNQDWBMK-UHFFFAOYSA-N 2 1 332.341 2.812 10 30 EFEEMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC001178826312 1288930398 /nfs/dbraw/zinc/93/03/98/1288930398.db2.gz ARXOWXVNQDWBMK-UHFFFAOYSA-N 2 1 332.341 2.812 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001277695676 1312752769 /nfs/dbraw/zinc/75/27/69/1312752769.db2.gz UJROKXZXACQTMZ-HKUYNNGSSA-N 2 1 344.503 2.547 10 30 EFEEMP C=CCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001273474476 1290145921 /nfs/dbraw/zinc/14/59/21/1290145921.db2.gz GELWMJDPJPVILS-LJQANCHMSA-N 2 1 329.488 2.665 10 30 EFEEMP C=CCC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001273474476 1290145926 /nfs/dbraw/zinc/14/59/26/1290145926.db2.gz GELWMJDPJPVILS-LJQANCHMSA-N 2 1 329.488 2.665 10 30 EFEEMP C=CCC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001273474476 1290145931 /nfs/dbraw/zinc/14/59/31/1290145931.db2.gz GELWMJDPJPVILS-LJQANCHMSA-N 2 1 329.488 2.665 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001273474476 1290145937 /nfs/dbraw/zinc/14/59/37/1290145937.db2.gz GELWMJDPJPVILS-LJQANCHMSA-N 2 1 329.488 2.665 10 30 EFEEMP Cc1cc(C#N)cc(C)c1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903506099 1312785429 /nfs/dbraw/zinc/78/54/29/1312785429.db2.gz OHPUNTIIYFFYKU-BGYRXZFFSA-N 2 1 338.499 2.576 10 30 EFEEMP Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903506099 1312785431 /nfs/dbraw/zinc/78/54/31/1312785431.db2.gz OHPUNTIIYFFYKU-BGYRXZFFSA-N 2 1 338.499 2.576 10 30 EFEEMP Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903506099 1312785433 /nfs/dbraw/zinc/78/54/33/1312785433.db2.gz OHPUNTIIYFFYKU-BGYRXZFFSA-N 2 1 338.499 2.576 10 30 EFEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000876885738 1291058184 /nfs/dbraw/zinc/05/81/84/1291058184.db2.gz ZJIODPRUSKGSRU-RDJZCZTQSA-N 2 1 335.879 2.579 10 30 EFEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000876903153 1291065805 /nfs/dbraw/zinc/06/58/05/1291065805.db2.gz RKSXVVZEWDWDMZ-NXHRZFHOSA-N 2 1 349.906 2.873 10 30 EFEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000876903152 1291065916 /nfs/dbraw/zinc/06/59/16/1291065916.db2.gz RKSXVVZEWDWDMZ-NJAFHUGGSA-N 2 1 349.906 2.873 10 30 EFEEMP C=CCC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001273599022 1292115445 /nfs/dbraw/zinc/11/54/45/1292115445.db2.gz MSFZZGJKDOSMTL-MOPGFXCFSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001273599022 1292115450 /nfs/dbraw/zinc/11/54/50/1292115450.db2.gz MSFZZGJKDOSMTL-MOPGFXCFSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001273599022 1292115458 /nfs/dbraw/zinc/11/54/58/1292115458.db2.gz MSFZZGJKDOSMTL-MOPGFXCFSA-N 2 1 335.536 2.855 10 30 EFEEMP CC#CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001273606544 1292295933 /nfs/dbraw/zinc/29/59/33/1292295933.db2.gz ADXFJFUQSRRONZ-WOJBJXKFSA-N 2 1 347.547 2.835 10 30 EFEEMP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001276319113 1292743007 /nfs/dbraw/zinc/74/30/07/1292743007.db2.gz HIFPAHOUBZRLQI-HXUWFJFHSA-N 2 1 343.515 2.708 10 30 EFEEMP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001276319113 1292743017 /nfs/dbraw/zinc/74/30/17/1292743017.db2.gz HIFPAHOUBZRLQI-HXUWFJFHSA-N 2 1 343.515 2.708 10 30 EFEEMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001276319113 1292743029 /nfs/dbraw/zinc/74/30/29/1292743029.db2.gz HIFPAHOUBZRLQI-HXUWFJFHSA-N 2 1 343.515 2.708 10 30 EFEEMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001276319113 1292743038 /nfs/dbraw/zinc/74/30/38/1292743038.db2.gz HIFPAHOUBZRLQI-HXUWFJFHSA-N 2 1 343.515 2.708 10 30 EFEEMP C=CC[N@H+](CCc1ccco1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC001192653620 1292955283 /nfs/dbraw/zinc/95/52/83/1292955283.db2.gz PEQAYEIHGYCNPY-OAQYLSRUSA-N 2 1 340.467 2.947 10 30 EFEEMP C=CCC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[C@@H]1CCCO1 ZINC000883216905 1293510122 /nfs/dbraw/zinc/51/01/22/1293510122.db2.gz XTUHRNJBQLKXHH-HKBOAZHASA-N 2 1 344.499 2.857 10 30 EFEEMP C=CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001273789379 1295773905 /nfs/dbraw/zinc/77/39/05/1295773905.db2.gz HEWUUWMCDHPMRK-ZWKOTPCHSA-N 2 1 333.520 2.940 10 30 EFEEMP C=C(C)C[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)CC[NH+](C)CC ZINC001274855433 1296191967 /nfs/dbraw/zinc/19/19/67/1296191967.db2.gz DUMFKHAOZDWCPL-LJQANCHMSA-N 2 1 329.488 2.620 10 30 EFEEMP C=C(C)C[N@H+]1CCc2ccccc2[C@H]1CNC(=O)CC[NH+](C)CC ZINC001274855433 1296191973 /nfs/dbraw/zinc/19/19/73/1296191973.db2.gz DUMFKHAOZDWCPL-LJQANCHMSA-N 2 1 329.488 2.620 10 30 EFEEMP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000930136585 1297238282 /nfs/dbraw/zinc/23/82/82/1297238282.db2.gz NWJDWJOGUYFKML-WIYYLYMNSA-N 2 1 340.515 2.633 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001489087629 1298047718 /nfs/dbraw/zinc/04/77/18/1298047718.db2.gz RGGKBMGMHWBPKY-QYZOEREBSA-N 2 1 347.547 2.900 10 30 EFEEMP C#CCN1CCC[C@H]1C(=O)NCCC[N@H+](C)[C@@H](C)c1ccccc1C ZINC001490209423 1298602959 /nfs/dbraw/zinc/60/29/59/1298602959.db2.gz ZMOILJJTHYNUOT-ICSRJNTNSA-N 2 1 341.499 2.592 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)[C@@H](C)c1ccccc1C ZINC001490209423 1298602967 /nfs/dbraw/zinc/60/29/67/1298602967.db2.gz ZMOILJJTHYNUOT-ICSRJNTNSA-N 2 1 341.499 2.592 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)[C@@H](C)c1ccccc1C ZINC001490209423 1298602974 /nfs/dbraw/zinc/60/29/74/1298602974.db2.gz ZMOILJJTHYNUOT-ICSRJNTNSA-N 2 1 341.499 2.592 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@@H](C)c1ccccc1C ZINC001490209423 1298602979 /nfs/dbraw/zinc/60/29/79/1298602979.db2.gz ZMOILJJTHYNUOT-ICSRJNTNSA-N 2 1 341.499 2.592 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@@H](C)c1ccccc1C ZINC001490209423 1298602987 /nfs/dbraw/zinc/60/29/87/1298602987.db2.gz ZMOILJJTHYNUOT-ICSRJNTNSA-N 2 1 341.499 2.592 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001490443390 1298871034 /nfs/dbraw/zinc/87/10/34/1298871034.db2.gz QWOQOCYMMKXDSP-LJQANCHMSA-N 2 1 343.515 2.951 10 30 EFEEMP C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001490777282 1299242219 /nfs/dbraw/zinc/24/22/19/1299242219.db2.gz OUJUSSXGSWHNSG-MOPGFXCFSA-N 2 1 335.536 2.853 10 30 EFEEMP C#CCN(C(=O)C[N@H+](C)CCC)C1CC[NH+](CC2CCCCC2)CC1 ZINC001278194318 1313769696 /nfs/dbraw/zinc/76/96/96/1313769696.db2.gz KFGYPVGWKKNAAI-UHFFFAOYSA-N 2 1 347.547 2.835 10 30 EFEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1cc(C(F)(F)F)cc(C#N)n1 ZINC000865933893 1303461011 /nfs/dbraw/zinc/46/10/11/1303461011.db2.gz NUWGEIUPKZATDO-LBPRGKRZSA-N 2 1 343.397 2.656 10 30 EFEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1cc(C(F)(F)F)cc(C#N)n1 ZINC000865933893 1303461012 /nfs/dbraw/zinc/46/10/12/1303461012.db2.gz NUWGEIUPKZATDO-LBPRGKRZSA-N 2 1 343.397 2.656 10 30 EFEEMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2Cc3ccc(C#N)cc3C2)[C@H](C)C1 ZINC000866617436 1303711503 /nfs/dbraw/zinc/71/15/03/1303711503.db2.gz JMFJGDQRCGTSSI-CZAAIQMYSA-N 2 1 341.499 2.752 10 30 EFEEMP CCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C)CC1 ZINC001490802378 1303943408 /nfs/dbraw/zinc/94/34/08/1303943408.db2.gz YIILTTUWJNZGIQ-KDURUIRLSA-N 2 1 335.536 2.974 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCCCC)CC2(C)C)CC1 ZINC001276622686 1314109553 /nfs/dbraw/zinc/10/95/53/1314109553.db2.gz AXTIRHLKNGRIFO-LJQANCHMSA-N 2 1 347.547 2.739 10 30 EFEEMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001276623531 1314113796 /nfs/dbraw/zinc/11/37/96/1314113796.db2.gz FERVPVGVYMVBNA-MSOLQXFVSA-N 2 1 329.488 2.692 10 30 EFEEMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001276623531 1314113798 /nfs/dbraw/zinc/11/37/98/1314113798.db2.gz FERVPVGVYMVBNA-MSOLQXFVSA-N 2 1 329.488 2.692 10 30 EFEEMP C=CCC[N@@H+]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001276624617 1314117532 /nfs/dbraw/zinc/11/75/32/1314117532.db2.gz KYOKDQJONVPHEY-ROUUACIJSA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000900590576 1308367373 /nfs/dbraw/zinc/36/73/73/1308367373.db2.gz PGTGIBWTSYMWNF-INIZCTEOSA-N 2 1 331.460 2.526 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000900905549 1308897060 /nfs/dbraw/zinc/89/70/60/1308897060.db2.gz YQFWUVTXWUFOCP-HXUWFJFHSA-N 2 1 343.515 2.865 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000901309766 1310108662 /nfs/dbraw/zinc/10/86/62/1310108662.db2.gz XODXENVHLGENDR-UHFFFAOYSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000901359905 1310224969 /nfs/dbraw/zinc/22/49/69/1310224969.db2.gz HBAARXPOLQNVQJ-IEBWSBKVSA-N 2 1 329.488 2.521 10 30 EFEEMP CCCCCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001276689434 1314385705 /nfs/dbraw/zinc/38/57/05/1314385705.db2.gz CZMYPHDJWBZTHY-AKHDSKFASA-N 2 1 335.536 2.735 10 30 EFEEMP CCCCCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001276689434 1314385708 /nfs/dbraw/zinc/38/57/08/1314385708.db2.gz CZMYPHDJWBZTHY-AKHDSKFASA-N 2 1 335.536 2.735 10 30 EFEEMP CCCCCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001276689434 1314385711 /nfs/dbraw/zinc/38/57/11/1314385711.db2.gz CZMYPHDJWBZTHY-AKHDSKFASA-N 2 1 335.536 2.735 10 30 EFEEMP CCC[N@H+](CCO[C@H](C)C#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000801931947 1311118583 /nfs/dbraw/zinc/11/85/83/1311118583.db2.gz DXGMVLYRAJRQQA-MRXNPFEDSA-N 2 1 345.491 2.703 10 30 EFEEMP CCC[N@@H+](CCO[C@H](C)C#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000801931947 1311118585 /nfs/dbraw/zinc/11/85/85/1311118585.db2.gz DXGMVLYRAJRQQA-MRXNPFEDSA-N 2 1 345.491 2.703 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001276862730 1311216755 /nfs/dbraw/zinc/21/67/55/1311216755.db2.gz PHCMZGDEYIMCOZ-QGZVFWFLSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCCC2(CN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001276862730 1311216758 /nfs/dbraw/zinc/21/67/58/1311216758.db2.gz PHCMZGDEYIMCOZ-QGZVFWFLSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCCC2(CN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001276862730 1311216759 /nfs/dbraw/zinc/21/67/59/1311216759.db2.gz PHCMZGDEYIMCOZ-QGZVFWFLSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCCC[N@H+]1CCCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001276886655 1311253979 /nfs/dbraw/zinc/25/39/79/1311253979.db2.gz MRYRDTMLMHVIKP-UHFFFAOYSA-N 2 1 333.520 2.753 10 30 EFEEMP C=C(C)C[NH2+][C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)Cc1ccccc1 ZINC001284149789 1320237025 /nfs/dbraw/zinc/23/70/25/1320237025.db2.gz YLBJEKDWELWMAB-UXHICEINSA-N 2 1 343.515 2.754 10 30 EFEEMP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001159052042 1311441703 /nfs/dbraw/zinc/44/17/03/1311441703.db2.gz RTPCYZKNQUSLNU-HSALFYBXSA-N 2 1 341.499 2.521 10 30 EFEEMP C=CCC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1(C)C ZINC001284291719 1320306717 /nfs/dbraw/zinc/30/67/17/1320306717.db2.gz KXLQFYSCFUZEOB-MSOLQXFVSA-N 2 1 333.520 2.796 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001277092702 1311602849 /nfs/dbraw/zinc/60/28/49/1311602849.db2.gz KKKPIQLCHODKSK-BHIYHBOVSA-N 2 1 329.488 2.740 10 30 EFEEMP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001277279883 1311915512 /nfs/dbraw/zinc/91/55/12/1311915512.db2.gz KEPNOLCKTCAULR-HKUYNNGSSA-N 2 1 333.520 2.681 10 30 EFEEMP C=CCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001277359561 1312053135 /nfs/dbraw/zinc/05/31/35/1312053135.db2.gz FEIDIARPEIPTMQ-QRVBRYPASA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001277359561 1312053139 /nfs/dbraw/zinc/05/31/39/1312053139.db2.gz FEIDIARPEIPTMQ-QRVBRYPASA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001277359561 1312053142 /nfs/dbraw/zinc/05/31/42/1312053142.db2.gz FEIDIARPEIPTMQ-QRVBRYPASA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@]1(C)CCCCO1 ZINC000902794650 1312113263 /nfs/dbraw/zinc/11/32/63/1312113263.db2.gz XPLVZRZJPLXKKS-UXHICEINSA-N 2 1 337.552 2.898 10 30 EFEEMP C=CCC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@@]1(C)CCCCO1 ZINC000902794651 1312113565 /nfs/dbraw/zinc/11/35/65/1312113565.db2.gz XPLVZRZJPLXKKS-VQTJNVASSA-N 2 1 337.552 2.898 10 30 EFEEMP C#CCC[N@H+](C)C1CCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001277417650 1312135072 /nfs/dbraw/zinc/13/50/72/1312135072.db2.gz QYXBPYDOTLDGFD-UHFFFAOYSA-N 2 1 333.520 2.587 10 30 EFEEMP C#CCC[NH+](C)C1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001277417650 1312135075 /nfs/dbraw/zinc/13/50/75/1312135075.db2.gz QYXBPYDOTLDGFD-UHFFFAOYSA-N 2 1 333.520 2.587 10 30 EFEEMP C#CCC[NH+](C)C1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001277417650 1312135077 /nfs/dbraw/zinc/13/50/77/1312135077.db2.gz QYXBPYDOTLDGFD-UHFFFAOYSA-N 2 1 333.520 2.587 10 30 EFEEMP C=C(C)CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001277430208 1312158121 /nfs/dbraw/zinc/15/81/21/1312158121.db2.gz ZRUMOTQFPIJRNR-MOPGFXCFSA-N 2 1 333.520 2.892 10 30 EFEEMP C=C(C)CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001277430208 1312158124 /nfs/dbraw/zinc/15/81/24/1312158124.db2.gz ZRUMOTQFPIJRNR-MOPGFXCFSA-N 2 1 333.520 2.892 10 30 EFEEMP 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ZINC001277609874 1312621774 /nfs/dbraw/zinc/62/17/74/1312621774.db2.gz IMAJHBKTHJITHK-QFBILLFUSA-N 2 1 333.520 2.891 10 30 EFEEMP C=CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CC[NH+](C)CC1 ZINC001318215731 1328529477 /nfs/dbraw/zinc/52/94/77/1328529477.db2.gz SFICSWDUTRIDNP-OALUTQOASA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001278453110 1314648262 /nfs/dbraw/zinc/64/82/62/1314648262.db2.gz RFWBGQYQCDMKFP-NLWGTHIKSA-N 2 1 333.520 2.939 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001278453110 1314648266 /nfs/dbraw/zinc/64/82/66/1314648266.db2.gz RFWBGQYQCDMKFP-NLWGTHIKSA-N 2 1 333.520 2.939 10 30 EFEEMP C=CCCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001278453110 1314648270 /nfs/dbraw/zinc/64/82/70/1314648270.db2.gz RFWBGQYQCDMKFP-NLWGTHIKSA-N 2 1 333.520 2.939 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)CCCC[NH+]3CCCC3)CCC[C@H]12 ZINC001278473427 1314712333 /nfs/dbraw/zinc/71/23/33/1314712333.db2.gz INXLOSOVLQJLCC-AZUAARDMSA-N 2 1 333.520 2.942 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)CCCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001278473429 1314712528 /nfs/dbraw/zinc/71/25/28/1314712528.db2.gz INXLOSOVLQJLCC-QUCCMNQESA-N 2 1 333.520 2.942 10 30 EFEEMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001278580271 1315223874 /nfs/dbraw/zinc/22/38/74/1315223874.db2.gz OXLXPJDIWGULDR-ROUUACIJSA-N 2 1 333.520 2.539 10 30 EFEEMP C=CCC(C)(C)CNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC001251417592 1315347157 /nfs/dbraw/zinc/34/71/57/1315347157.db2.gz JUTCKZKHNAFQFE-QGZVFWFLSA-N 2 1 338.540 2.646 10 30 EFEEMP C#CCC[NH+]1CCC(C)(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001278636942 1315376254 /nfs/dbraw/zinc/37/62/54/1315376254.db2.gz ORRBPYKDNPGUKW-IBGZPJMESA-N 2 1 341.499 2.531 10 30 EFEEMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001318442999 1328593245 /nfs/dbraw/zinc/59/32/45/1328593245.db2.gz OXXNYNUJGHKALK-MOPGFXCFSA-N 2 1 329.488 2.788 10 30 EFEEMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001318442999 1328593250 /nfs/dbraw/zinc/59/32/50/1328593250.db2.gz OXXNYNUJGHKALK-MOPGFXCFSA-N 2 1 329.488 2.788 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001318442999 1328593255 /nfs/dbraw/zinc/59/32/55/1328593255.db2.gz OXXNYNUJGHKALK-MOPGFXCFSA-N 2 1 329.488 2.788 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001318442999 1328593259 /nfs/dbraw/zinc/59/32/59/1328593259.db2.gz OXXNYNUJGHKALK-MOPGFXCFSA-N 2 1 329.488 2.788 10 30 EFEEMP C=C(C)CC[NH+]1CCC(F)(F)[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001278742443 1315643250 /nfs/dbraw/zinc/64/32/50/1315643250.db2.gz ZCOSNAJYUHEZML-OAHLLOKOSA-N 2 1 343.462 2.510 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001278742443 1315643253 /nfs/dbraw/zinc/64/32/53/1315643253.db2.gz ZCOSNAJYUHEZML-OAHLLOKOSA-N 2 1 343.462 2.510 10 30 EFEEMP C=C(C)CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001278742443 1315643257 /nfs/dbraw/zinc/64/32/57/1315643257.db2.gz ZCOSNAJYUHEZML-OAHLLOKOSA-N 2 1 343.462 2.510 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]C(C)C)c1ccccc1CC ZINC001278969519 1316000391 /nfs/dbraw/zinc/00/03/91/1316000391.db2.gz LSJWLEQYLSYISC-PMACEKPBSA-N 2 1 341.499 2.502 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]C(C)C)c1ccccc1CC ZINC001278969519 1316000394 /nfs/dbraw/zinc/00/03/94/1316000394.db2.gz LSJWLEQYLSYISC-PMACEKPBSA-N 2 1 341.499 2.502 10 30 EFEEMP C=CC[NH2+]C[C@@H](NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC)C(C)(C)C ZINC001279021967 1316073035 /nfs/dbraw/zinc/07/30/35/1316073035.db2.gz RJVCEGORWWUBHC-QZTJIDSGSA-N 2 1 331.504 2.986 10 30 EFEEMP C=C(C)CC[NH2+][C@H](CC)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001318575955 1328643232 /nfs/dbraw/zinc/64/32/32/1328643232.db2.gz LGDBFINIWZTXAD-AQNXPRMDSA-N 2 1 343.515 2.782 10 30 EFEEMP C=C[C@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1ccccc1 ZINC001263712176 1316557662 /nfs/dbraw/zinc/55/76/62/1316557662.db2.gz XKFXAAYHQFUELA-KRWDZBQOSA-N 2 1 336.439 2.742 10 30 EFEEMP C=C(Cl)C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)Cn1c[nH+]cc1C ZINC001264516358 1316626611 /nfs/dbraw/zinc/62/66/11/1316626611.db2.gz ZTHXJZNCSGVCRB-XJKSGUPXSA-N 2 1 338.883 2.551 10 30 EFEEMP C=CCC[NH2+][C@H]1CCCCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001264684133 1316655660 /nfs/dbraw/zinc/65/56/60/1316655660.db2.gz SCYAWQVHCKAUIZ-SFHVURJKSA-N 2 1 332.492 2.909 10 30 EFEEMP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001264684132 1316655840 /nfs/dbraw/zinc/65/58/40/1316655840.db2.gz SCYAWQVHCKAUIZ-GOSISDBHSA-N 2 1 332.492 2.909 10 30 EFEEMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001265329338 1316783399 /nfs/dbraw/zinc/78/33/99/1316783399.db2.gz DRBLCVCPUARIRY-QZTJIDSGSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001265356067 1316789269 /nfs/dbraw/zinc/78/92/69/1316789269.db2.gz HZJIPHIKMZDLJS-IEBWSBKVSA-N 2 1 333.520 2.702 10 30 EFEEMP C=C(C)C[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001265522636 1316818580 /nfs/dbraw/zinc/81/85/80/1316818580.db2.gz ACLNCSFKKXOKFB-MSOLQXFVSA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001265522636 1316818581 /nfs/dbraw/zinc/81/85/81/1316818581.db2.gz ACLNCSFKKXOKFB-MSOLQXFVSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001265654261 1316845306 /nfs/dbraw/zinc/84/53/06/1316845306.db2.gz QKSYMJYAPCJMME-QGZVFWFLSA-N 2 1 332.492 2.943 10 30 EFEEMP C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001265654261 1316845308 /nfs/dbraw/zinc/84/53/08/1316845308.db2.gz QKSYMJYAPCJMME-QGZVFWFLSA-N 2 1 332.492 2.943 10 30 EFEEMP C=CCC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001265736530 1316868714 /nfs/dbraw/zinc/86/87/14/1316868714.db2.gz YSKHYKUIJRQEBO-TVPLGVNVSA-N 2 1 333.520 2.987 10 30 EFEEMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001265926615 1316916153 /nfs/dbraw/zinc/91/61/53/1316916153.db2.gz CDYGJSNRCNRBRW-MSOLQXFVSA-N 2 1 344.503 2.691 10 30 EFEEMP C=C(Cl)C[N@@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001265978823 1316936495 /nfs/dbraw/zinc/93/64/95/1316936495.db2.gz ZBCJHGRXRDWLDJ-MRXNPFEDSA-N 2 1 329.916 2.688 10 30 EFEEMP C=C(Cl)C[N@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001265978823 1316936496 /nfs/dbraw/zinc/93/64/96/1316936496.db2.gz ZBCJHGRXRDWLDJ-MRXNPFEDSA-N 2 1 329.916 2.688 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001266215011 1317155238 /nfs/dbraw/zinc/15/52/38/1317155238.db2.gz HHAAWBRBCKUFQU-YESZJQIVSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001266215011 1317155243 /nfs/dbraw/zinc/15/52/43/1317155243.db2.gz HHAAWBRBCKUFQU-YESZJQIVSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001266215011 1317155247 /nfs/dbraw/zinc/15/52/47/1317155247.db2.gz HHAAWBRBCKUFQU-YESZJQIVSA-N 2 1 341.927 2.830 10 30 EFEEMP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001279311405 1317233980 /nfs/dbraw/zinc/23/39/80/1317233980.db2.gz MKTLUYSTCIHQAV-HKUYNNGSSA-N 2 1 329.488 2.521 10 30 EFEEMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)C[C@H]2C1 ZINC001279380554 1317251973 /nfs/dbraw/zinc/25/19/73/1317251973.db2.gz SGVMUTDFRYARDO-KDURUIRLSA-N 2 1 347.547 2.855 10 30 EFEEMP C=CCCC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001279618467 1317332599 /nfs/dbraw/zinc/33/25/99/1317332599.db2.gz HZYFFBOWVBDMCG-SLFFLAALSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001279618467 1317332608 /nfs/dbraw/zinc/33/26/08/1317332608.db2.gz HZYFFBOWVBDMCG-SLFFLAALSA-N 2 1 347.547 2.997 10 30 EFEEMP 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C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001327531812 1330496381 /nfs/dbraw/zinc/49/63/81/1330496381.db2.gz UPQNTACRESHFBT-HXUWFJFHSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001327531812 1330496382 /nfs/dbraw/zinc/49/63/82/1330496382.db2.gz UPQNTACRESHFBT-HXUWFJFHSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CC[C@]1(C(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)CCC[NH2+]1 ZINC001327601207 1330499670 /nfs/dbraw/zinc/49/96/70/1330499670.db2.gz JADXEQQZQXTHRE-OAQYLSRUSA-N 2 1 341.499 2.728 10 30 EFEEMP C#CCC[NH+]1Cc2ccc(CNC(=O)CC[C@H]3CCC[N@@H+]3C)cc2C1 ZINC001327684381 1330508426 /nfs/dbraw/zinc/50/84/26/1330508426.db2.gz CTWVEIPGFLTATG-HXUWFJFHSA-N 2 1 339.483 2.516 10 30 EFEEMP C#CCC[N@H+]1Cc2ccc(CNC(=O)CC[C@H]3CCC[NH+]3C)cc2C1 ZINC001327684381 1330508429 /nfs/dbraw/zinc/50/84/29/1330508429.db2.gz CTWVEIPGFLTATG-HXUWFJFHSA-N 2 1 339.483 2.516 10 30 EFEEMP C#CCC[N@@H+]1Cc2ccc(CNC(=O)CC[C@H]3CCC[NH+]3C)cc2C1 ZINC001327684381 1330508432 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329.488 2.620 10 30 EFEEMP C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001328469887 1330594908 /nfs/dbraw/zinc/59/49/08/1330594908.db2.gz SUCAXHQFKAGRKN-IBGZPJMESA-N 2 1 329.488 2.620 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](CC)CC1CCN(C(=O)Cc2cnc[nH]2)CC1 ZINC001328588147 1330605642 /nfs/dbraw/zinc/60/56/42/1330605642.db2.gz RVHIGLSCIJXHIK-INIZCTEOSA-N 2 1 332.492 2.867 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](CC)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001328588875 1330606202 /nfs/dbraw/zinc/60/62/02/1330606202.db2.gz ODHPFJXOXUZZRJ-GOSISDBHSA-N 2 1 335.536 2.997 10 30 EFEEMP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)CCCC[NH+](C)C)CC2)C1 ZINC001328811772 1330637051 /nfs/dbraw/zinc/63/70/51/1330637051.db2.gz FQZBQHYZEDVTNM-FQEVSTJZSA-N 2 1 347.547 2.692 10 30 EFEEMP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001329291795 1330690788 /nfs/dbraw/zinc/69/07/88/1330690788.db2.gz YLODXNVOLBQMBL-GOSISDBHSA-N 2 1 347.547 2.739 10 30 EFEEMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001329308445 1330692795 /nfs/dbraw/zinc/69/27/95/1330692795.db2.gz WMTQRUVYPPINIP-UHFFFAOYSA-N 2 1 335.536 2.737 10 30 EFEEMP C=CCC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC001329762113 1330734618 /nfs/dbraw/zinc/73/46/18/1330734618.db2.gz UXZXGAZLADNXCM-HKUYNNGSSA-N 2 1 346.519 2.793 10 30 EFEEMP C=CCCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC001330512200 1330763824 /nfs/dbraw/zinc/76/38/24/1330763824.db2.gz NCRZSPAUBQXUSM-RBUKOAKNSA-N 2 1 345.531 2.894 10 30 EFEEMP C=CCCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C2)C1 ZINC001330512200 1330763827 /nfs/dbraw/zinc/76/38/27/1330763827.db2.gz NCRZSPAUBQXUSM-RBUKOAKNSA-N 2 1 345.531 2.894 10 30 EFEEMP C=CCCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)C1 ZINC001330512200 1330763830 /nfs/dbraw/zinc/76/38/30/1330763830.db2.gz NCRZSPAUBQXUSM-RBUKOAKNSA-N 2 1 345.531 2.894 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001330657639 1330764592 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341.927 2.782 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001377637511 1344246154 /nfs/dbraw/zinc/24/61/54/1344246154.db2.gz FJNJVQHBCMHUDT-SJORKVTESA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)CN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001377637502 1344246345 /nfs/dbraw/zinc/24/63/45/1344246345.db2.gz FJNJVQHBCMHUDT-IRXDYDNUSA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001377637502 1344246347 /nfs/dbraw/zinc/24/63/47/1344246347.db2.gz FJNJVQHBCMHUDT-IRXDYDNUSA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001377637502 1344246350 /nfs/dbraw/zinc/24/63/50/1344246350.db2.gz FJNJVQHBCMHUDT-IRXDYDNUSA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001377637502 1344246352 /nfs/dbraw/zinc/24/63/52/1344246352.db2.gz FJNJVQHBCMHUDT-IRXDYDNUSA-N 2 1 341.927 2.782 10 30 EFEEMP 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C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC001506869113 1406385197 /nfs/dbraw/zinc/38/51/97/1406385197.db2.gz YQLXULNDUNTLKZ-NRSPTQNISA-N 2 1 347.547 2.996 10 30 EFEEMP C=C(Cl)C[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC001441102469 1391094487 /nfs/dbraw/zinc/09/44/87/1391094487.db2.gz KMYLFIXEVRBTNM-HOTGVXAUSA-N 2 1 341.927 2.878 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001441121911 1391116682 /nfs/dbraw/zinc/11/66/82/1391116682.db2.gz VAIRSEHPTDZBRT-HRCADAONSA-N 2 1 329.916 2.734 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001441306639 1391244514 /nfs/dbraw/zinc/24/45/14/1391244514.db2.gz QAWUIMWEJUEUDZ-HZPDHXFCSA-N 2 1 347.906 2.589 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001441306633 1391244822 /nfs/dbraw/zinc/24/48/22/1391244822.db2.gz QAWUIMWEJUEUDZ-CVEARBPZSA-N 2 1 347.906 2.589 10 30 EFEEMP C=CCC[N@H+](C)C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001506978474 1406538156 /nfs/dbraw/zinc/53/81/56/1406538156.db2.gz PEVUDNIFLFFMJJ-UHFFFAOYSA-N 2 1 329.488 2.861 10 30 EFEEMP C=CCC[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001460888032 1396267527 /nfs/dbraw/zinc/26/75/27/1396267527.db2.gz YFWAHXXOIHUYOH-MOPGFXCFSA-N 2 1 329.488 2.836 10 30 EFEEMP C#CC[N@H+](CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC001462255202 1396429757 /nfs/dbraw/zinc/42/97/57/1396429757.db2.gz MYJWMFVXZWJJMF-UHFFFAOYSA-N 2 1 341.455 2.947 10 30 EFEEMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001479423906 1397722854 /nfs/dbraw/zinc/72/28/54/1397722854.db2.gz CQMZMMGICLXITE-XUVXKRRUSA-N 2 1 343.515 2.877 10 30 EFEEMP CC#CC[NH+]1CC[C@@]2(NC(=O)C[N@H+](C)CCCCCC)CCC[C@@H]12 ZINC001507350431 1406932055 /nfs/dbraw/zinc/93/20/55/1406932055.db2.gz NOPJYPQJBNVJQL-QUCCMNQESA-N 2 1 333.520 2.635 10 30 EFEEMP CC#CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)CCCCCC)CCC[C@@H]12 ZINC001507350431 1406932062 /nfs/dbraw/zinc/93/20/62/1406932062.db2.gz NOPJYPQJBNVJQL-QUCCMNQESA-N 2 1 333.520 2.635 10 30 EFEEMP CC#CC[N@H+]1CC[C@@]2(NC(=O)C[NH+](C)CCCCCC)CCC[C@@H]12 ZINC001507350431 1406932069 /nfs/dbraw/zinc/93/20/69/1406932069.db2.gz NOPJYPQJBNVJQL-QUCCMNQESA-N 2 1 333.520 2.635 10 30 EFEEMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001480158423 1398132919 /nfs/dbraw/zinc/13/29/19/1398132919.db2.gz PHMSNZSCMDOPKL-YKTARERQSA-N 2 1 339.499 2.790 10 30 EFEEMP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001480365067 1398179495 /nfs/dbraw/zinc/17/94/95/1398179495.db2.gz NBZWQHVSGUMGNY-VQTJNVASSA-N 2 1 341.499 2.673 10 30 EFEEMP C=CCC[N@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001507358378 1406947628 /nfs/dbraw/zinc/94/76/28/1406947628.db2.gz WGIOBQCOWVAZHY-QUCCMNQESA-N 2 1 333.520 2.942 10 30 EFEEMP C#CCC[NH+]1CC[C@@]2(NC(=O)CC[N@H+](C)C3CCCCC3)CCC[C@@H]12 ZINC001507361072 1406952051 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333.520 2.652 10 30 EFEEMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001501166321 1403470884 /nfs/dbraw/zinc/47/08/84/1403470884.db2.gz OMCOFYFSDOVBGY-UJWQCDCRSA-N 2 1 333.520 2.652 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CCCCC)CC1 ZINC001501407333 1403592216 /nfs/dbraw/zinc/59/22/16/1403592216.db2.gz BKJYSFCOWZGSBA-PMACEKPBSA-N 2 1 345.531 2.587 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001501422353 1403599345 /nfs/dbraw/zinc/59/93/45/1403599345.db2.gz MPQIVTKKXFIPKG-CADBVGFASA-N 2 1 333.520 2.748 10 30 EFEEMP C=CCC[C@H](C)[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001501422353 1403599346 /nfs/dbraw/zinc/59/93/46/1403599346.db2.gz MPQIVTKKXFIPKG-CADBVGFASA-N 2 1 333.520 2.748 10 30 EFEEMP C=CCC[C@H](C)[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001501422353 1403599347 /nfs/dbraw/zinc/59/93/47/1403599347.db2.gz MPQIVTKKXFIPKG-CADBVGFASA-N 2 1 333.520 2.748 10 30 EFEEMP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001501618336 1403648939 /nfs/dbraw/zinc/64/89/39/1403648939.db2.gz KJTUIFVPUSOCTI-OAHLLOKOSA-N 2 1 329.916 2.545 10 30 EFEEMP C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001501619500 1403649385 /nfs/dbraw/zinc/64/93/85/1403649385.db2.gz ULNZTGRVPZUCSU-QZTJIDSGSA-N 2 1 344.503 2.548 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001508210606 1407347477 /nfs/dbraw/zinc/34/74/77/1407347477.db2.gz DKAUVXSIZAZBIB-AOIWGVFYSA-N 2 1 333.520 2.820 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CC=C(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001508210606 1407347482 /nfs/dbraw/zinc/34/74/82/1407347482.db2.gz DKAUVXSIZAZBIB-AOIWGVFYSA-N 2 1 333.520 2.820 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001508210606 1407347486 /nfs/dbraw/zinc/34/74/86/1407347486.db2.gz DKAUVXSIZAZBIB-AOIWGVFYSA-N 2 1 333.520 2.820 10 30 EFEEMP CC#CC[N@@H+](C)Cc1ccccc1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001501665835 1403685149 /nfs/dbraw/zinc/68/51/49/1403685149.db2.gz RIWTYAZEZFPJDV-UHFFFAOYSA-N 2 1 341.499 2.632 10 30 EFEEMP C=CCC[NH+]1CC=C(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001508220203 1407356871 /nfs/dbraw/zinc/35/68/71/1407356871.db2.gz RNOSAMJCCLDXPK-IBGZPJMESA-N 2 1 337.483 2.523 10 30 EFEEMP C=CCC[N@H+]1CC=C(CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001508220203 1407356877 /nfs/dbraw/zinc/35/68/77/1407356877.db2.gz RNOSAMJCCLDXPK-IBGZPJMESA-N 2 1 337.483 2.523 10 30 EFEEMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001508220203 1407356880 /nfs/dbraw/zinc/35/68/80/1407356880.db2.gz RNOSAMJCCLDXPK-IBGZPJMESA-N 2 1 337.483 2.523 10 30 EFEEMP C=CCCC[N@@H+]1CCc2c(CNC(=O)[C@@H](CC)[NH+](C)C)cccc2C1 ZINC001501854371 1403828094 /nfs/dbraw/zinc/82/80/94/1403828094.db2.gz PVMQFBVADKXAEL-HXUWFJFHSA-N 2 1 343.515 2.967 10 30 EFEEMP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001508228696 1407366123 /nfs/dbraw/zinc/36/61/23/1407366123.db2.gz IFFSZVBAJYNQDU-IBGZPJMESA-N 2 1 327.472 2.614 10 30 EFEEMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001508228696 1407366125 /nfs/dbraw/zinc/36/61/25/1407366125.db2.gz IFFSZVBAJYNQDU-IBGZPJMESA-N 2 1 327.472 2.614 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001502126452 1404020699 /nfs/dbraw/zinc/02/06/99/1404020699.db2.gz YKAYPWIJIPCGCV-JKSUJKDBSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001502126452 1404020704 /nfs/dbraw/zinc/02/07/04/1404020704.db2.gz YKAYPWIJIPCGCV-JKSUJKDBSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001502126452 1404020710 /nfs/dbraw/zinc/02/07/10/1404020710.db2.gz YKAYPWIJIPCGCV-JKSUJKDBSA-N 2 1 327.900 2.584 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001502137294 1404036774 /nfs/dbraw/zinc/03/67/74/1404036774.db2.gz GLHCPCBUXSTCTO-ZWKOTPCHSA-N 2 1 344.503 2.691 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001502137294 1404036781 /nfs/dbraw/zinc/03/67/81/1404036781.db2.gz GLHCPCBUXSTCTO-ZWKOTPCHSA-N 2 1 344.503 2.691 10 30 EFEEMP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001502404329 1404143809 /nfs/dbraw/zinc/14/38/09/1404143809.db2.gz FQXSRYHZLLIFJT-MOPGFXCFSA-N 2 1 335.536 2.855 10 30 EFEEMP C#CCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](C(C)C)CC1 ZINC001502405204 1404145738 /nfs/dbraw/zinc/14/57/38/1404145738.db2.gz UGZIGFMKBUPVQR-BGYRXZFFSA-N 2 1 345.531 2.728 10 30 EFEEMP C#CCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](C(C)C)CC1 ZINC001502405204 1404145747 /nfs/dbraw/zinc/14/57/47/1404145747.db2.gz UGZIGFMKBUPVQR-BGYRXZFFSA-N 2 1 345.531 2.728 10 30 EFEEMP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001502545574 1404235942 /nfs/dbraw/zinc/23/59/42/1404235942.db2.gz CYAXYPOEGFNQCW-FQEVSTJZSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001502545574 1404235949 /nfs/dbraw/zinc/23/59/49/1404235949.db2.gz CYAXYPOEGFNQCW-FQEVSTJZSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001502545574 1404235953 /nfs/dbraw/zinc/23/59/53/1404235953.db2.gz CYAXYPOEGFNQCW-FQEVSTJZSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001502741295 1404319055 /nfs/dbraw/zinc/31/90/55/1404319055.db2.gz CCVSYOFGASZVEY-AZUAARDMSA-N 2 1 343.515 2.564 10 30 EFEEMP C#CCC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C(C)(C)C1 ZINC001502829455 1404380229 /nfs/dbraw/zinc/38/02/29/1404380229.db2.gz VJGKNQBJDMEVTR-GOSISDBHSA-N 2 1 347.547 2.879 10 30 EFEEMP C#CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C(C)(C)C1 ZINC001502829455 1404380239 /nfs/dbraw/zinc/38/02/39/1404380239.db2.gz VJGKNQBJDMEVTR-GOSISDBHSA-N 2 1 347.547 2.879 10 30 EFEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C(C)(C)C1 ZINC001502829455 1404380248 /nfs/dbraw/zinc/38/02/48/1404380248.db2.gz VJGKNQBJDMEVTR-GOSISDBHSA-N 2 1 347.547 2.879 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)Cn2ccnc2C)C(C)(C)C1 ZINC001502836512 1404393684 /nfs/dbraw/zinc/39/36/84/1404393684.db2.gz PYSFGMLPQZIHTI-NVXWUHKLSA-N 2 1 332.492 2.763 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC001502836512 1404393693 /nfs/dbraw/zinc/39/36/93/1404393693.db2.gz PYSFGMLPQZIHTI-NVXWUHKLSA-N 2 1 332.492 2.763 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC001502836512 1404393699 /nfs/dbraw/zinc/39/36/99/1404393699.db2.gz PYSFGMLPQZIHTI-NVXWUHKLSA-N 2 1 332.492 2.763 10 30 EFEEMP C=C(C)CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)CC[NH+](C)C ZINC001503678299 1404497411 /nfs/dbraw/zinc/49/74/11/1404497411.db2.gz OCWQWICVDMVJMV-LJQANCHMSA-N 2 1 329.488 2.620 10 30 EFEEMP C=CCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001503692848 1404500188 /nfs/dbraw/zinc/50/01/88/1404500188.db2.gz XXFNKDUGYCJGAN-LJQANCHMSA-N 2 1 329.488 2.620 10 30 EFEEMP C=CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)CC[NH+](C)CC ZINC001503692848 1404500193 /nfs/dbraw/zinc/50/01/93/1404500193.db2.gz XXFNKDUGYCJGAN-LJQANCHMSA-N 2 1 329.488 2.620 10 30 EFEEMP C=CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)CC[NH+](C)CC ZINC001503692848 1404500195 /nfs/dbraw/zinc/50/01/95/1404500195.db2.gz XXFNKDUGYCJGAN-LJQANCHMSA-N 2 1 329.488 2.620 10 30 EFEEMP C#CC[N@@H+](CC)CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001505396773 1404548780 /nfs/dbraw/zinc/54/87/80/1404548780.db2.gz POAORXUZFCQPSE-QGZVFWFLSA-N 2 1 344.503 2.590 10 30 EFEEMP C#CC[N@H+](CC)CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001505396773 1404548788 /nfs/dbraw/zinc/54/87/88/1404548788.db2.gz POAORXUZFCQPSE-QGZVFWFLSA-N 2 1 344.503 2.590 10 30 EFEEMP C=CCCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001505414559 1404572788 /nfs/dbraw/zinc/57/27/88/1404572788.db2.gz KWQSZKJBNDWZPP-TZIWHRDSSA-N 2 1 341.499 2.809 10 30 EFEEMP C=CCC[NH2+]CC1(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CCCCC1 ZINC001506533176 1405918883 /nfs/dbraw/zinc/91/88/83/1405918883.db2.gz PAFMBHPCFFCNLU-MSOLQXFVSA-N 2 1 333.520 2.988 10 30 EFEEMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001506588736 1406014272 /nfs/dbraw/zinc/01/42/72/1406014272.db2.gz ZCJXRAGOPSIZID-LJQANCHMSA-N 2 1 333.520 2.637 10 30 EFEEMP C=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001565984197 1415470208 /nfs/dbraw/zinc/47/02/08/1415470208.db2.gz JSSRKQDLXGCWLR-FCGDIQPGSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001566697703 1415737704 /nfs/dbraw/zinc/73/77/04/1415737704.db2.gz KJIGNROENZKFKL-MJGOQNOKSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001566741628 1415755119 /nfs/dbraw/zinc/75/51/19/1415755119.db2.gz GYBGGILRJBHRBY-GOSISDBHSA-N 2 1 343.515 2.761 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001566883081 1415823099 /nfs/dbraw/zinc/82/30/99/1415823099.db2.gz ZKYVVADGHJCALL-QGZVFWFLSA-N 2 1 341.927 2.833 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001566883081 1415823106 /nfs/dbraw/zinc/82/31/06/1415823106.db2.gz ZKYVVADGHJCALL-QGZVFWFLSA-N 2 1 341.927 2.833 10 30 EFEEMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001566929902 1415853367 /nfs/dbraw/zinc/85/33/67/1415853367.db2.gz LQYPBGNFLZUPPB-MOPGFXCFSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001566929902 1415853368 /nfs/dbraw/zinc/85/33/68/1415853368.db2.gz LQYPBGNFLZUPPB-MOPGFXCFSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001566955308 1415868797 /nfs/dbraw/zinc/86/87/97/1415868797.db2.gz KSXIBPWTUGWXSO-RBUKOAKNSA-N 2 1 345.531 2.894 10 30 EFEEMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001566972952 1415883379 /nfs/dbraw/zinc/88/33/79/1415883379.db2.gz CDHDGKYXRSANOY-CENDIDJXSA-N 2 1 345.531 2.796 10 30 EFEEMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001566972952 1415883382 /nfs/dbraw/zinc/88/33/82/1415883382.db2.gz CDHDGKYXRSANOY-CENDIDJXSA-N 2 1 345.531 2.796 10 30 EFEEMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001566972952 1415883391 /nfs/dbraw/zinc/88/33/91/1415883391.db2.gz CDHDGKYXRSANOY-CENDIDJXSA-N 2 1 345.531 2.796 10 30 EFEEMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001567124589 1415942094 /nfs/dbraw/zinc/94/20/94/1415942094.db2.gz JZPDDBZNLDWXNB-ROUUACIJSA-N 2 1 333.520 2.655 10 30 EFEEMP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001567266833 1416046124 /nfs/dbraw/zinc/04/61/24/1416046124.db2.gz OADDJIUZNLHQRB-UXHICEINSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001567266833 1416046128 /nfs/dbraw/zinc/04/61/28/1416046128.db2.gz OADDJIUZNLHQRB-UXHICEINSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NCCC[C@@H]2CCC[N@@H+]2C[C@@H](C)CC)CC1 ZINC001567266840 1416046715 /nfs/dbraw/zinc/04/67/15/1416046715.db2.gz OASHUZFJCHXJSW-AZUAARDMSA-N 2 1 347.547 2.739 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001567409390 1416123562 /nfs/dbraw/zinc/12/35/62/1416123562.db2.gz GWPQKKCLRINRPI-LPHOPBHVSA-N 2 1 339.499 2.603 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001567409390 1416123567 /nfs/dbraw/zinc/12/35/67/1416123567.db2.gz GWPQKKCLRINRPI-LPHOPBHVSA-N 2 1 339.499 2.603 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001567409390 1416123571 /nfs/dbraw/zinc/12/35/71/1416123571.db2.gz GWPQKKCLRINRPI-LPHOPBHVSA-N 2 1 339.499 2.603 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001567413445 1416126122 /nfs/dbraw/zinc/12/61/22/1416126122.db2.gz DBJBTHHUZLLZPL-SJORKVTESA-N 2 1 332.492 2.799 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001567413445 1416126127 /nfs/dbraw/zinc/12/61/27/1416126127.db2.gz DBJBTHHUZLLZPL-SJORKVTESA-N 2 1 332.492 2.799 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001567416439 1416126950 /nfs/dbraw/zinc/12/69/50/1416126950.db2.gz ZPKOHCIKYGKMMC-ROUUACIJSA-N 2 1 335.536 2.900 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CCC)CC2CCCCC2)CC1 ZINC001567433110 1416135492 /nfs/dbraw/zinc/13/54/92/1416135492.db2.gz STXZUTBFDZUVOV-UHFFFAOYSA-N 2 1 347.547 2.740 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001567685207 1416247338 /nfs/dbraw/zinc/24/73/38/1416247338.db2.gz BJUBWDYRKBIGGY-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001567685207 1416247339 /nfs/dbraw/zinc/24/73/39/1416247339.db2.gz BJUBWDYRKBIGGY-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001567685207 1416247342 /nfs/dbraw/zinc/24/73/42/1416247342.db2.gz BJUBWDYRKBIGGY-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCCCC[N@H+](C)C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001567741286 1416267141 /nfs/dbraw/zinc/26/71/41/1416267141.db2.gz DXQQQTLKKUTNTG-SFHVURJKSA-N 2 1 333.520 2.609 10 30 EFEEMP C=CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCCC1 ZINC001567998112 1416354952 /nfs/dbraw/zinc/35/49/52/1416354952.db2.gz AYDZYRCLJLTEAF-QGZVFWFLSA-N 2 1 333.520 2.846 10 30 EFEEMP CC#CC[NH2+]C[C@]1(NC(=O)C[N@@H+](C)CC(C)(C)C)CCCC[C@@H]1C ZINC001568040091 1416371580 /nfs/dbraw/zinc/37/15/80/1416371580.db2.gz JEPWDTGEANYMBN-FXAWDEMLSA-N 2 1 335.536 2.642 10 30 EFEEMP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001568061919 1416386610 /nfs/dbraw/zinc/38/66/10/1416386610.db2.gz QZYDCEUIAKWDII-RBUKOAKNSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)C[NH+]1CCC(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001568127065 1416420307 /nfs/dbraw/zinc/42/03/07/1416420307.db2.gz ZJORUIOGJQYEQO-RTBURBONSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001568130000 1416420876 /nfs/dbraw/zinc/42/08/76/1416420876.db2.gz PINYJVVTJUQYLG-MOPGFXCFSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CCC2(C1)CCN(C(=O)C1CC[NH+](C)CC1)CC2 ZINC001568155673 1416428003 /nfs/dbraw/zinc/42/80/03/1416428003.db2.gz XVIGQCWAUWULFS-GOSISDBHSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CC[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1C(C)C)C1CCCCC1 ZINC001568346427 1416485353 /nfs/dbraw/zinc/48/53/53/1416485353.db2.gz HNYVLJUWKSOBGW-KRWDZBQOSA-N 2 1 332.492 2.847 10 30 EFEEMP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001568386030 1416506467 /nfs/dbraw/zinc/50/64/67/1416506467.db2.gz SRYQSQWTRVGSOO-IAGOWNOFSA-N 2 1 332.492 2.943 10 30 EFEEMP C=CC[N@H+](CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C(C)C ZINC001691751601 1416665230 /nfs/dbraw/zinc/66/52/30/1416665230.db2.gz NHBVKSLGZXPZJI-SFHVURJKSA-N 2 1 327.488 2.602 10 30 EFEEMP C=CC[NH+](CCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C(C)C ZINC001691751601 1416665232 /nfs/dbraw/zinc/66/52/32/1416665232.db2.gz NHBVKSLGZXPZJI-SFHVURJKSA-N 2 1 327.488 2.602 10 30 EFEEMP C=CC[NH+](CCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001691751601 1416665234 /nfs/dbraw/zinc/66/52/34/1416665234.db2.gz NHBVKSLGZXPZJI-SFHVURJKSA-N 2 1 327.488 2.602 10 30 EFEEMP C=C(C)C[N@@H+](CCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC001691751501 1416665318 /nfs/dbraw/zinc/66/53/18/1416665318.db2.gz LDXUNQPGAHJRGY-QGZVFWFLSA-N 2 1 332.492 2.547 10 30 EFEEMP C=C(C)C[N@H+](CCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC001691751501 1416665321 /nfs/dbraw/zinc/66/53/21/1416665321.db2.gz LDXUNQPGAHJRGY-QGZVFWFLSA-N 2 1 332.492 2.547 10 30 EFEEMP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001690126534 1417159354 /nfs/dbraw/zinc/15/93/54/1417159354.db2.gz QOMPUWOKWCTALF-BZSNNMDCSA-N 2 1 333.520 2.654 10 30 EFEEMP C=C(C)CC[NH+]1CCC(N(CCC)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001690136431 1417162953 /nfs/dbraw/zinc/16/29/53/1417162953.db2.gz MIXSYBQFHMTKJH-GOSISDBHSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCCCC[N@H+]1CCC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001690392443 1417208224 /nfs/dbraw/zinc/20/82/24/1417208224.db2.gz XTAKCAXYXZJLDF-SFHVURJKSA-N 2 1 333.520 2.657 10 30 EFEEMP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001690409980 1417211452 /nfs/dbraw/zinc/21/14/52/1417211452.db2.gz XOSBFILGWGVRJK-HKUYNNGSSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H]1C ZINC001692164105 1417257871 /nfs/dbraw/zinc/25/78/71/1417257871.db2.gz LHTHELQLILBWTO-ZACQAIPSSA-N 2 1 332.492 2.942 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H]1C ZINC001692164105 1417257874 /nfs/dbraw/zinc/25/78/74/1417257874.db2.gz LHTHELQLILBWTO-ZACQAIPSSA-N 2 1 332.492 2.942 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H]1CC ZINC001692206209 1417260960 /nfs/dbraw/zinc/26/09/60/1417260960.db2.gz MUQJKKKGOVPPPZ-NZSAHSFTSA-N 2 1 344.503 2.689 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H]1CC ZINC001692206209 1417260962 /nfs/dbraw/zinc/26/09/62/1417260962.db2.gz MUQJKKKGOVPPPZ-NZSAHSFTSA-N 2 1 344.503 2.689 10 30 EFEEMP CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001692329819 1417278395 /nfs/dbraw/zinc/27/83/95/1417278395.db2.gz NVSHXSBVFCPTQB-RBUKOAKNSA-N 2 1 333.520 2.633 10 30 EFEEMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)cc1 ZINC001698717783 1417319454 /nfs/dbraw/zinc/31/94/54/1417319454.db2.gz KCDLSPOGHHIHPM-RBUKOAKNSA-N 2 1 327.472 2.595 10 30 EFEEMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)cc1 ZINC001698717785 1417319608 /nfs/dbraw/zinc/31/96/08/1417319608.db2.gz KCDLSPOGHHIHPM-RTBURBONSA-N 2 1 327.472 2.595 10 30 EFEEMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@@H]21 ZINC001699011497 1417367020 /nfs/dbraw/zinc/36/70/20/1417367020.db2.gz ALYPNYNCUFSSSG-MOPGFXCFSA-N 2 1 333.520 2.751 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)CC[C@H]21 ZINC001699022305 1417373419 /nfs/dbraw/zinc/37/34/19/1417373419.db2.gz RPAVBPRXXGAVPQ-RTBURBONSA-N 2 1 344.503 2.861 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)CC[C@H]21 ZINC001699022305 1417373424 /nfs/dbraw/zinc/37/34/24/1417373424.db2.gz RPAVBPRXXGAVPQ-RTBURBONSA-N 2 1 344.503 2.861 10 30 EFEEMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1C ZINC001699683060 1417450041 /nfs/dbraw/zinc/45/00/41/1417450041.db2.gz WFVWKJPXGPFNAQ-MSOLQXFVSA-N 2 1 330.476 2.613 10 30 EFEEMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1C ZINC001699683060 1417450043 /nfs/dbraw/zinc/45/00/43/1417450043.db2.gz WFVWKJPXGPFNAQ-MSOLQXFVSA-N 2 1 330.476 2.613 10 30 EFEEMP C=CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001699866450 1417485290 /nfs/dbraw/zinc/48/52/90/1417485290.db2.gz ZZMPPRCFCLAUMY-MSOLQXFVSA-N 2 1 333.520 2.798 10 30 EFEEMP C#CCC[NH+]1CCC[C@@](C)(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001699868124 1417486410 /nfs/dbraw/zinc/48/64/10/1417486410.db2.gz IULDZEVZSKMTHU-NRFANRHFSA-N 2 1 347.547 2.881 10 30 EFEEMP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001699868124 1417486413 /nfs/dbraw/zinc/48/64/13/1417486413.db2.gz IULDZEVZSKMTHU-NRFANRHFSA-N 2 1 347.547 2.881 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001699868124 1417486417 /nfs/dbraw/zinc/48/64/17/1417486417.db2.gz IULDZEVZSKMTHU-NRFANRHFSA-N 2 1 347.547 2.881 10 30 EFEEMP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001699874699 1417490654 /nfs/dbraw/zinc/49/06/54/1417490654.db2.gz PMJZBHOWJZCUGO-LPHOPBHVSA-N 2 1 332.492 2.801 10 30 EFEEMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001699874699 1417490656 /nfs/dbraw/zinc/49/06/56/1417490656.db2.gz PMJZBHOWJZCUGO-LPHOPBHVSA-N 2 1 332.492 2.801 10 30 EFEEMP C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001699875896 1417492006 /nfs/dbraw/zinc/49/20/06/1417492006.db2.gz WZOGDWARUSIZLX-AZUAARDMSA-N 2 1 333.520 2.513 10 30 EFEEMP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001699948288 1417519029 /nfs/dbraw/zinc/51/90/29/1417519029.db2.gz NBGVPBDGIAGHOY-WMZOPIPTSA-N 2 1 332.492 2.765 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)C[C@H](C)n3ccnc3)C[C@H]2C1 ZINC001699991552 1417539261 /nfs/dbraw/zinc/53/92/61/1417539261.db2.gz PIQIHADNVFTITA-XDNAFOTISA-N 2 1 330.476 2.579 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC001699991151 1417539300 /nfs/dbraw/zinc/53/93/00/1417539300.db2.gz BDDGLRIFCAOEOA-LWYYNNOASA-N 2 1 347.547 2.996 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC001699991153 1417539531 /nfs/dbraw/zinc/53/95/31/1417539531.db2.gz BDDGLRIFCAOEOA-WTGUMLROSA-N 2 1 347.547 2.996 10 30 EFEEMP C=C(Cl)C[NH2+]CCC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001700709777 1417625248 /nfs/dbraw/zinc/62/52/48/1417625248.db2.gz VTMKNFCVWODEPW-MSOLQXFVSA-N 2 1 349.906 2.918 10 30 EFEEMP C#CCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1(C)C ZINC001700942191 1417691320 /nfs/dbraw/zinc/69/13/20/1417691320.db2.gz LKOQTZALHUKVSV-OALUTQOASA-N 2 1 345.531 2.633 10 30 EFEEMP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001713144975 1418336524 /nfs/dbraw/zinc/33/65/24/1418336524.db2.gz JEJMJHFBOBKWLZ-HSALFYBXSA-N 2 1 341.499 2.931 10 30 EFEEMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001713144975 1418336526 /nfs/dbraw/zinc/33/65/26/1418336526.db2.gz JEJMJHFBOBKWLZ-HSALFYBXSA-N 2 1 341.499 2.931 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713223710 1418395217 /nfs/dbraw/zinc/39/52/17/1418395217.db2.gz FWZFZEUGTQXNJD-OALUTQOASA-N 2 1 335.536 2.901 10 30 EFEEMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001713257254 1418427131 /nfs/dbraw/zinc/42/71/31/1418427131.db2.gz YQPSTRXCDSCJBB-UXHICEINSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001713257254 1418427136 /nfs/dbraw/zinc/42/71/36/1418427136.db2.gz YQPSTRXCDSCJBB-UXHICEINSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001713257254 1418427141 /nfs/dbraw/zinc/42/71/41/1418427141.db2.gz YQPSTRXCDSCJBB-UXHICEINSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001713257254 1418427145 /nfs/dbraw/zinc/42/71/45/1418427145.db2.gz YQPSTRXCDSCJBB-UXHICEINSA-N 2 1 341.499 2.673 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001713277409 1418447633 /nfs/dbraw/zinc/44/76/33/1418447633.db2.gz IJWAAKLVFNEEPG-RTBURBONSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001713360607 1418490698 /nfs/dbraw/zinc/49/06/98/1418490698.db2.gz MCKOTOWPXLKMIY-HKUYNNGSSA-N 2 1 329.488 2.694 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@H]1CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001713435834 1418528920 /nfs/dbraw/zinc/52/89/20/1418528920.db2.gz YWCISFKRIZRAIM-MRXNPFEDSA-N 2 1 339.911 2.728 10 30 EFEEMP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001714225402 1418590291 /nfs/dbraw/zinc/59/02/91/1418590291.db2.gz MVDNKDKSNJDDNQ-ZWKOTPCHSA-N 2 1 344.503 2.548 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CCC(C)C)cc1 ZINC001714320100 1418600511 /nfs/dbraw/zinc/60/05/11/1418600511.db2.gz FMSUZMDNXDDBAJ-FQEVSTJZSA-N 2 1 341.499 2.536 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CCC(C)C)cc1 ZINC001714320100 1418600512 /nfs/dbraw/zinc/60/05/12/1418600512.db2.gz FMSUZMDNXDDBAJ-FQEVSTJZSA-N 2 1 341.499 2.536 10 30 EFEEMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)cc1 ZINC001714321746 1418601242 /nfs/dbraw/zinc/60/12/42/1418601242.db2.gz ATPQAHVXLRBPLM-MOPGFXCFSA-N 2 1 327.472 2.595 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001714650728 1418612252 /nfs/dbraw/zinc/61/22/52/1418612252.db2.gz PHAHTYWCOGVJIX-MJGOQNOKSA-N 2 1 329.488 2.694 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001714650728 1418612259 /nfs/dbraw/zinc/61/22/59/1418612259.db2.gz PHAHTYWCOGVJIX-MJGOQNOKSA-N 2 1 329.488 2.694 10 30 EFEEMP C#CC[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001715175665 1418656005 /nfs/dbraw/zinc/65/60/05/1418656005.db2.gz MIRDIFIUFOEPIS-HXUWFJFHSA-N 2 1 345.531 2.635 10 30 EFEEMP C=CCC[C@H](C)[NH2+]CC[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001715442199 1418676259 /nfs/dbraw/zinc/67/62/59/1418676259.db2.gz KOXCHLCWOLLXGJ-FUHWJXTLSA-N 2 1 332.492 2.907 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C(C)C)cc1 ZINC001716440957 1418883891 /nfs/dbraw/zinc/88/38/91/1418883891.db2.gz ZMFPLXABMOIFPN-PXNSSMCTSA-N 2 1 341.499 2.502 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C(C)C)cc1 ZINC001716440957 1418883894 /nfs/dbraw/zinc/88/38/94/1418883894.db2.gz ZMFPLXABMOIFPN-PXNSSMCTSA-N 2 1 341.499 2.502 10 30 EFEEMP C=CCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1CC ZINC001716639492 1418934373 /nfs/dbraw/zinc/93/43/73/1418934373.db2.gz OIWPYOPIMIUDSJ-IAGOWNOFSA-N 2 1 332.492 2.799 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001716668092 1418950275 /nfs/dbraw/zinc/95/02/75/1418950275.db2.gz NNSDWZCFYBBKEZ-LPHOPBHVSA-N 2 1 333.520 2.654 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001716668093 1418950839 /nfs/dbraw/zinc/95/08/39/1418950839.db2.gz NNSDWZCFYBBKEZ-QFBILLFUSA-N 2 1 333.520 2.654 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@@H](C2CCN(C(=O)CC[N@H+](C)CC)CC2)C1 ZINC001716704595 1418963162 /nfs/dbraw/zinc/96/31/62/1418963162.db2.gz XMFPMFBXTAUGEM-LJQANCHMSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001716704595 1418963167 /nfs/dbraw/zinc/96/31/67/1418963167.db2.gz XMFPMFBXTAUGEM-LJQANCHMSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001716704595 1418963171 /nfs/dbraw/zinc/96/31/71/1418963171.db2.gz XMFPMFBXTAUGEM-LJQANCHMSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCCCCC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001716734591 1418983563 /nfs/dbraw/zinc/98/35/63/1418983563.db2.gz CGTNRIUQYQSQFP-FPOVZHCZSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001716734591 1418983567 /nfs/dbraw/zinc/98/35/67/1418983567.db2.gz CGTNRIUQYQSQFP-FPOVZHCZSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001716734591 1418983570 /nfs/dbraw/zinc/98/35/70/1418983570.db2.gz CGTNRIUQYQSQFP-FPOVZHCZSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCCCCC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001716734590 1418983783 /nfs/dbraw/zinc/98/37/83/1418983783.db2.gz CGTNRIUQYQSQFP-CTNGQTDRSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001716734590 1418983785 /nfs/dbraw/zinc/98/37/85/1418983785.db2.gz CGTNRIUQYQSQFP-CTNGQTDRSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001716734590 1418983788 /nfs/dbraw/zinc/98/37/88/1418983788.db2.gz CGTNRIUQYQSQFP-CTNGQTDRSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001716784324 1419006776 /nfs/dbraw/zinc/00/67/76/1419006776.db2.gz QZOPMRJIVQIKRH-QFBILLFUSA-N 2 1 339.499 2.746 10 30 EFEEMP C#CCN(C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)C1CC[NH+](CCC=C)CC1 ZINC001716810683 1419024114 /nfs/dbraw/zinc/02/41/14/1419024114.db2.gz ZQLHOPPTBAEBAP-UYAOXDASSA-N 2 1 343.515 2.506 10 30 EFEEMP C#CCN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)C1CC[NH+](CCC=C)CC1 ZINC001716810682 1419024253 /nfs/dbraw/zinc/02/42/53/1419024253.db2.gz ZQLHOPPTBAEBAP-QUCCMNQESA-N 2 1 343.515 2.506 10 30 EFEEMP C=CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001716903156 1419088859 /nfs/dbraw/zinc/08/88/59/1419088859.db2.gz YHVAXHWACDPVJB-AZUAARDMSA-N 2 1 329.488 2.694 10 30 EFEEMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001716903156 1419088864 /nfs/dbraw/zinc/08/88/64/1419088864.db2.gz YHVAXHWACDPVJB-AZUAARDMSA-N 2 1 329.488 2.694 10 30 EFEEMP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001717003123 1419138750 /nfs/dbraw/zinc/13/87/50/1419138750.db2.gz MXSUFMBGCFYMJT-WGSAOQKQSA-N 2 1 344.503 2.507 10 30 EFEEMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001717036858 1419168882 /nfs/dbraw/zinc/16/88/82/1419168882.db2.gz HDUMJTCYBVNXDI-ZCNNSNEGSA-N 2 1 341.499 2.931 10 30 EFEEMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001717036858 1419168887 /nfs/dbraw/zinc/16/88/87/1419168887.db2.gz HDUMJTCYBVNXDI-ZCNNSNEGSA-N 2 1 341.499 2.931 10 30 EFEEMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001717036858 1419168891 /nfs/dbraw/zinc/16/88/91/1419168891.db2.gz HDUMJTCYBVNXDI-ZCNNSNEGSA-N 2 1 341.499 2.931 10 30 EFEEMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001717036858 1419168892 /nfs/dbraw/zinc/16/88/92/1419168892.db2.gz HDUMJTCYBVNXDI-ZCNNSNEGSA-N 2 1 341.499 2.931 10 30 EFEEMP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001717101280 1419208608 /nfs/dbraw/zinc/20/86/08/1419208608.db2.gz IZWXYNOHRDJRKC-IRXDYDNUSA-N 2 1 341.927 2.830 10 30 EFEEMP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)cc1 ZINC001717115864 1419219841 /nfs/dbraw/zinc/21/98/41/1419219841.db2.gz PIVJJIZTQMWBRA-PXNSSMCTSA-N 2 1 341.499 2.709 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001717202425 1419263263 /nfs/dbraw/zinc/26/32/63/1419263263.db2.gz RZRXRNPAHZYUQO-OALUTQOASA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001717202425 1419263265 /nfs/dbraw/zinc/26/32/65/1419263265.db2.gz RZRXRNPAHZYUQO-OALUTQOASA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCCC[NH+]1Cc2ccc(CNC(=O)C[C@@H]3CC[N@H+](C)C3)cc2C1 ZINC001717270893 1419300566 /nfs/dbraw/zinc/30/05/66/1419300566.db2.gz PCRIMGHCDILTRL-SFHVURJKSA-N 2 1 341.499 2.926 10 30 EFEEMP C=CCCC[N@H+]1Cc2ccc(CNC(=O)C[C@@H]3CC[NH+](C)C3)cc2C1 ZINC001717270893 1419300571 /nfs/dbraw/zinc/30/05/71/1419300571.db2.gz PCRIMGHCDILTRL-SFHVURJKSA-N 2 1 341.499 2.926 10 30 EFEEMP C=CCCC[N@@H+]1Cc2ccc(CNC(=O)C[C@@H]3CC[NH+](C)C3)cc2C1 ZINC001717270893 1419300577 /nfs/dbraw/zinc/30/05/77/1419300577.db2.gz PCRIMGHCDILTRL-SFHVURJKSA-N 2 1 341.499 2.926 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC001717309180 1419320902 /nfs/dbraw/zinc/32/09/02/1419320902.db2.gz GZPFIDOZJFGHMK-MSOLQXFVSA-N 2 1 333.520 2.511 10 30 EFEEMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001717309648 1419321685 /nfs/dbraw/zinc/32/16/85/1419321685.db2.gz QMYMGZTZRTYAFE-DLBZAZTESA-N 2 1 344.503 2.637 10 30 EFEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001717309648 1419321687 /nfs/dbraw/zinc/32/16/87/1419321687.db2.gz QMYMGZTZRTYAFE-DLBZAZTESA-N 2 1 344.503 2.637 10 30 EFEEMP CC#CC[N@H+](CC)CC1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001717357000 1419351477 /nfs/dbraw/zinc/35/14/77/1419351477.db2.gz UAEWKXCHTBOCHO-UHFFFAOYSA-N 2 1 335.536 2.548 10 30 EFEEMP CC#CC[NH+](CC)CC1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001717357000 1419351480 /nfs/dbraw/zinc/35/14/80/1419351480.db2.gz UAEWKXCHTBOCHO-UHFFFAOYSA-N 2 1 335.536 2.548 10 30 EFEEMP CC#CC[NH+](CC)CC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001717357000 1419351484 /nfs/dbraw/zinc/35/14/84/1419351484.db2.gz UAEWKXCHTBOCHO-UHFFFAOYSA-N 2 1 335.536 2.548 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001717368774 1419362325 /nfs/dbraw/zinc/36/23/25/1419362325.db2.gz FMGDEEBHXWTCBV-ROUUACIJSA-N 2 1 333.520 2.892 10 30 EFEEMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001717371489 1419363484 /nfs/dbraw/zinc/36/34/84/1419363484.db2.gz QDHNSYGBLSSWPG-WOJBJXKFSA-N 2 1 345.531 2.730 10 30 EFEEMP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001717371489 1419363489 /nfs/dbraw/zinc/36/34/89/1419363489.db2.gz QDHNSYGBLSSWPG-WOJBJXKFSA-N 2 1 345.531 2.730 10 30 EFEEMP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001717371489 1419363492 /nfs/dbraw/zinc/36/34/92/1419363492.db2.gz QDHNSYGBLSSWPG-WOJBJXKFSA-N 2 1 345.531 2.730 10 30 EFEEMP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001717375595 1419367312 /nfs/dbraw/zinc/36/73/12/1419367312.db2.gz YXWUYZMGAYMYPQ-HXUWFJFHSA-N 2 1 347.547 2.997 10 30 EFEEMP C#CC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+](C)CCCCCC)C2)C1 ZINC001717377465 1419368927 /nfs/dbraw/zinc/36/89/27/1419368927.db2.gz CDSUGAXJZPSLJI-WOJBJXKFSA-N 2 1 347.547 2.692 10 30 EFEEMP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)CCCCCC)C2)C1 ZINC001717377465 1419368928 /nfs/dbraw/zinc/36/89/28/1419368928.db2.gz CDSUGAXJZPSLJI-WOJBJXKFSA-N 2 1 347.547 2.692 10 30 EFEEMP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)CCCCCC)C2)C1 ZINC001717377465 1419368929 /nfs/dbraw/zinc/36/89/29/1419368929.db2.gz CDSUGAXJZPSLJI-WOJBJXKFSA-N 2 1 347.547 2.692 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001717377283 1419369488 /nfs/dbraw/zinc/36/94/88/1419369488.db2.gz AYTLWYGYBSVYFW-OALUTQOASA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001717377283 1419369490 /nfs/dbraw/zinc/36/94/90/1419369490.db2.gz AYTLWYGYBSVYFW-OALUTQOASA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001717377283 1419369494 /nfs/dbraw/zinc/36/94/94/1419369494.db2.gz AYTLWYGYBSVYFW-OALUTQOASA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)C[NH2+]CC1(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CCCCC1 ZINC001717523762 1419426773 /nfs/dbraw/zinc/42/67/73/1419426773.db2.gz DFWCSGMOVFJQQA-ZWKOTPCHSA-N 2 1 333.520 2.988 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001717629823 1419478353 /nfs/dbraw/zinc/47/83/53/1419478353.db2.gz XOQCUXFTANUTQK-ROUUACIJSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCCC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001717629823 1419478354 /nfs/dbraw/zinc/47/83/54/1419478354.db2.gz XOQCUXFTANUTQK-ROUUACIJSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCCC2(CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001717629823 1419478356 /nfs/dbraw/zinc/47/83/56/1419478356.db2.gz XOQCUXFTANUTQK-ROUUACIJSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)CCC[NH+]3CCCCC3)C[C@@]2(C)C1 ZINC001717632232 1419480580 /nfs/dbraw/zinc/48/05/80/1419480580.db2.gz DOJJWNBHBYKEOX-BGYRXZFFSA-N 2 1 333.520 2.609 10 30 EFEEMP C=CCC[NH2+]CCC[C@@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001717684399 1419504763 /nfs/dbraw/zinc/50/47/63/1419504763.db2.gz LXEBHTALTFUELA-QAPCUYQASA-N 2 1 327.488 2.650 10 30 EFEEMP C=C(C)C[NH2+]CCCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001717706519 1419518846 /nfs/dbraw/zinc/51/88/46/1419518846.db2.gz IUSRSZSTHKLSFE-UYAOXDASSA-N 2 1 343.515 2.911 10 30 EFEEMP C=CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001717829596 1419561010 /nfs/dbraw/zinc/56/10/10/1419561010.db2.gz HZPTXHUJXCGBNA-PKOBYXMFSA-N 2 1 329.488 2.664 10 30 EFEEMP C=CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001717829596 1419561012 /nfs/dbraw/zinc/56/10/12/1419561012.db2.gz HZPTXHUJXCGBNA-PKOBYXMFSA-N 2 1 329.488 2.664 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1(C)C ZINC001717905578 1419612330 /nfs/dbraw/zinc/61/23/30/1419612330.db2.gz QXSHNYQUFNSIAZ-IBGZPJMESA-N 2 1 343.515 2.911 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)CC1(C)C ZINC001717905578 1419612331 /nfs/dbraw/zinc/61/23/31/1419612331.db2.gz QXSHNYQUFNSIAZ-IBGZPJMESA-N 2 1 343.515 2.911 10 30 EFEEMP C=CC[N@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)C(C)C ZINC001717948088 1419624272 /nfs/dbraw/zinc/62/42/72/1419624272.db2.gz FHOZWCQKJNWYEZ-GOSISDBHSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CC[NH+](C)CCN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001717948088 1419624274 /nfs/dbraw/zinc/62/42/74/1419624274.db2.gz FHOZWCQKJNWYEZ-GOSISDBHSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CC[NH+](C)CCN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC001717948088 1419624276 /nfs/dbraw/zinc/62/42/76/1419624276.db2.gz FHOZWCQKJNWYEZ-GOSISDBHSA-N 2 1 335.536 2.996 10 30 EFEEMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001717984818 1419642523 /nfs/dbraw/zinc/64/25/23/1419642523.db2.gz NZJPKHWHDPRGTO-PXNSSMCTSA-N 2 1 341.499 2.529 10 30 EFEEMP C=C(C)CC[NH2+]CCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001723125500 1424430221 /nfs/dbraw/zinc/43/02/21/1424430221.db2.gz FSLWSZHBTYIABH-UXHICEINSA-N 2 1 343.515 2.736 10 30 EFEEMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001723300734 1424461584 /nfs/dbraw/zinc/46/15/84/1424461584.db2.gz MDJQKIXATKROPS-IEBWSBKVSA-N 2 1 333.520 2.702 10 30 EFEEMP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1CC ZINC001723390549 1424484916 /nfs/dbraw/zinc/48/49/16/1424484916.db2.gz XGHCRGMREVEGAP-MOPGFXCFSA-N 2 1 329.488 2.521 10 30 EFEEMP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1CC ZINC001723390549 1424484921 /nfs/dbraw/zinc/48/49/21/1424484921.db2.gz XGHCRGMREVEGAP-MOPGFXCFSA-N 2 1 329.488 2.521 10 30 EFEEMP CCCCCCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001723456636 1424502683 /nfs/dbraw/zinc/50/26/83/1424502683.db2.gz COXCJXSMAHEDOL-MSOLQXFVSA-N 2 1 346.519 2.915 10 30 EFEEMP CCCCCCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001723456636 1424502688 /nfs/dbraw/zinc/50/26/88/1424502688.db2.gz COXCJXSMAHEDOL-MSOLQXFVSA-N 2 1 346.519 2.915 10 30 EFEEMP C#CCC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001723608896 1424534138 /nfs/dbraw/zinc/53/41/38/1424534138.db2.gz SQRRVWUMZXSBRD-RTBURBONSA-N 2 1 347.547 2.691 10 30 EFEEMP C#CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001723608896 1424534145 /nfs/dbraw/zinc/53/41/45/1424534145.db2.gz SQRRVWUMZXSBRD-RTBURBONSA-N 2 1 347.547 2.691 10 30 EFEEMP C#CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001723608896 1424534151 /nfs/dbraw/zinc/53/41/51/1424534151.db2.gz SQRRVWUMZXSBRD-RTBURBONSA-N 2 1 347.547 2.691 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001723610578 1424536489 /nfs/dbraw/zinc/53/64/89/1424536489.db2.gz ZWWIRBYPYPBTRE-MOPGFXCFSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001723610578 1424536494 /nfs/dbraw/zinc/53/64/94/1424536494.db2.gz ZWWIRBYPYPBTRE-MOPGFXCFSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001723610578 1424536497 /nfs/dbraw/zinc/53/64/97/1424536497.db2.gz ZWWIRBYPYPBTRE-MOPGFXCFSA-N 2 1 333.520 2.607 10 30 EFEEMP C#CC[N@H+](CCNC(=O)CC[NH+]1CCCCC1)C1CCCCCC1 ZINC001723639609 1424543559 /nfs/dbraw/zinc/54/35/59/1424543559.db2.gz CEGCCKPMXNTYRP-UHFFFAOYSA-N 2 1 333.520 2.637 10 30 EFEEMP C#CC[N@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)C1CCCCCC1 ZINC001723641178 1424544479 /nfs/dbraw/zinc/54/44/79/1424544479.db2.gz REDYGZWGIHFEKF-UHFFFAOYSA-N 2 1 345.531 2.637 10 30 EFEEMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001723690985 1424558057 /nfs/dbraw/zinc/55/80/57/1424558057.db2.gz KUXHTLNQVCNLEU-OAQYLSRUSA-N 2 1 345.531 2.590 10 30 EFEEMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H](c3ccccc3)[N@H+](C)CC)C2)C1 ZINC001723721575 1424567597 /nfs/dbraw/zinc/56/75/97/1424567597.db2.gz NOMCXBODARTBFW-CTNGQTDRSA-N 2 1 341.499 2.790 10 30 EFEEMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)CC)C2)C1 ZINC001723721575 1424567603 /nfs/dbraw/zinc/56/76/03/1424567603.db2.gz NOMCXBODARTBFW-CTNGQTDRSA-N 2 1 341.499 2.790 10 30 EFEEMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)CC)C2)C1 ZINC001723721575 1424567609 /nfs/dbraw/zinc/56/76/09/1424567609.db2.gz NOMCXBODARTBFW-CTNGQTDRSA-N 2 1 341.499 2.790 10 30 EFEEMP C#CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC[NH+](CCC(=C)C)CC1 ZINC001724046176 1424633999 /nfs/dbraw/zinc/63/39/99/1424633999.db2.gz CKKSPVZQTPHGEM-FQEVSTJZSA-N 2 1 345.531 2.752 10 30 EFEEMP C#CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C1CC[NH+](CC(C)C)CC1 ZINC001724046999 1424634755 /nfs/dbraw/zinc/63/47/55/1424634755.db2.gz IWRZGQIBMDEUIK-ICSRJNTNSA-N 2 1 345.531 2.586 10 30 EFEEMP C#CCN(C(=O)CC[N@H+](C)CC)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001724061130 1424641738 /nfs/dbraw/zinc/64/17/38/1424641738.db2.gz LEJMRUBRFPVRKF-UHFFFAOYSA-N 2 1 335.536 2.691 10 30 EFEEMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C1CCCC1 ZINC001724094913 1424653794 /nfs/dbraw/zinc/65/37/94/1424653794.db2.gz LGVIFCWTLJWHPL-IEBWSBKVSA-N 2 1 344.503 2.595 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCC(C)(CNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001724292713 1424722695 /nfs/dbraw/zinc/72/26/95/1424722695.db2.gz VMVLVJGAINVFAO-MRXNPFEDSA-N 2 1 332.492 2.765 10 30 EFEEMP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001724325623 1424736025 /nfs/dbraw/zinc/73/60/25/1424736025.db2.gz ZTXMSBNUPAAQKD-PZJWPPBQSA-N 2 1 345.531 2.635 10 30 EFEEMP CC#CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001724325623 1424736030 /nfs/dbraw/zinc/73/60/30/1424736030.db2.gz ZTXMSBNUPAAQKD-PZJWPPBQSA-N 2 1 345.531 2.635 10 30 EFEEMP CC#CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001724325623 1424736035 /nfs/dbraw/zinc/73/60/35/1424736035.db2.gz ZTXMSBNUPAAQKD-PZJWPPBQSA-N 2 1 345.531 2.635 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001724329230 1424737592 /nfs/dbraw/zinc/73/75/92/1424737592.db2.gz DTRHDPZFKBNYSN-YLJYHZDGSA-N 2 1 344.503 2.548 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001724329230 1424737599 /nfs/dbraw/zinc/73/75/99/1424737599.db2.gz DTRHDPZFKBNYSN-YLJYHZDGSA-N 2 1 344.503 2.548 10 30 EFEEMP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001724343645 1424742587 /nfs/dbraw/zinc/74/25/87/1424742587.db2.gz OCHMTSODNQXONU-OAQYLSRUSA-N 2 1 341.499 2.603 10 30 EFEEMP C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001724380205 1424751752 /nfs/dbraw/zinc/75/17/52/1424751752.db2.gz MMWQWARJCAVPHD-OAHLLOKOSA-N 2 1 343.462 2.510 10 30 EFEEMP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001724381162 1424753680 /nfs/dbraw/zinc/75/36/80/1424753680.db2.gz GXXNFRPMHKIKPG-MRXNPFEDSA-N 2 1 343.462 2.512 10 30 EFEEMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@@H+](C)Cc1ccccc1)C2 ZINC001724600104 1424815697 /nfs/dbraw/zinc/81/56/97/1424815697.db2.gz NHNGANMZZFFQRF-ACDBMABISA-N 2 1 341.499 2.664 10 30 EFEEMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@H+](C)Cc1ccccc1)C2 ZINC001724600104 1424815703 /nfs/dbraw/zinc/81/57/03/1424815703.db2.gz NHNGANMZZFFQRF-ACDBMABISA-N 2 1 341.499 2.664 10 30 EFEEMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+](C)Cc1ccccc1)C2 ZINC001724600104 1424815711 /nfs/dbraw/zinc/81/57/11/1424815711.db2.gz NHNGANMZZFFQRF-ACDBMABISA-N 2 1 341.499 2.664 10 30 EFEEMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+](C)Cc1ccccc1)C2 ZINC001724600104 1424815718 /nfs/dbraw/zinc/81/57/18/1424815718.db2.gz NHNGANMZZFFQRF-ACDBMABISA-N 2 1 341.499 2.664 10 30 EFEEMP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001724613405 1424834280 /nfs/dbraw/zinc/83/42/80/1424834280.db2.gz VKZPYHIHVODDPT-VJANTYMQSA-N 2 1 333.520 2.702 10 30 EFEEMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001724655823 1424891821 /nfs/dbraw/zinc/89/18/21/1424891821.db2.gz MSJOXJNJIPRZEP-RTBURBONSA-N 2 1 345.531 2.587 10 30 EFEEMP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001724740270 1424967611 /nfs/dbraw/zinc/96/76/11/1424967611.db2.gz FBNFUSWKRYOGAL-FRQCXROJSA-N 2 1 329.488 2.870 10 30 EFEEMP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)CC[C@@H]2CCC[N@H+]2C)cc1 ZINC001724744206 1424972708 /nfs/dbraw/zinc/97/27/08/1424972708.db2.gz OKPIEZISTLCGIO-PXNSSMCTSA-N 2 1 341.499 2.851 10 30 EFEEMP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)CC[C@H]2CCC[N@H+]2C)cc1 ZINC001724744205 1424973322 /nfs/dbraw/zinc/97/33/22/1424973322.db2.gz OKPIEZISTLCGIO-FXAWDEMLSA-N 2 1 341.499 2.851 10 30 EFEEMP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001724752203 1424981366 /nfs/dbraw/zinc/98/13/66/1424981366.db2.gz PXVOLRYDESFZIG-CADBVGFASA-N 2 1 333.520 2.844 10 30 EFEEMP C=C(C)CC[N@H+](C)CCCN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001724856042 1425073201 /nfs/dbraw/zinc/07/32/01/1425073201.db2.gz QIVDHVAAIZNTBT-IBGZPJMESA-N 2 1 341.515 2.945 10 30 EFEEMP C=C(C)CC[NH+](C)CCCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001724856042 1425073211 /nfs/dbraw/zinc/07/32/11/1425073211.db2.gz QIVDHVAAIZNTBT-IBGZPJMESA-N 2 1 341.515 2.945 10 30 EFEEMP C=C(C)CC[NH+](C)CCCN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001724856042 1425073223 /nfs/dbraw/zinc/07/32/23/1425073223.db2.gz QIVDHVAAIZNTBT-IBGZPJMESA-N 2 1 341.515 2.945 10 30 EFEEMP C=CCC[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001724867950 1425084327 /nfs/dbraw/zinc/08/43/27/1425084327.db2.gz NWCHXERSQHFIQG-RTBURBONSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001724867950 1425084334 /nfs/dbraw/zinc/08/43/34/1425084334.db2.gz NWCHXERSQHFIQG-RTBURBONSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001724867950 1425084343 /nfs/dbraw/zinc/08/43/43/1425084343.db2.gz NWCHXERSQHFIQG-RTBURBONSA-N 2 1 335.536 2.997 10 30 EFEEMP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001724886174 1425100507 /nfs/dbraw/zinc/10/05/07/1425100507.db2.gz WSVFMAHKRDFUIB-IBGZPJMESA-N 2 1 345.531 2.778 10 30 EFEEMP C=C(C)CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H](CC)[NH+](C)C)cc2C1 ZINC001724922727 1425133964 /nfs/dbraw/zinc/13/39/64/1425133964.db2.gz HTWQADNDELRUDI-LJQANCHMSA-N 2 1 329.488 2.925 10 30 EFEEMP C=CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)CCC[NH+](C)C ZINC001725011176 1425223366 /nfs/dbraw/zinc/22/33/66/1425223366.db2.gz BUJNVVZLMRNWLA-LJQANCHMSA-N 2 1 329.488 2.620 10 30 EFEEMP C=CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001725013101 1425226931 /nfs/dbraw/zinc/22/69/31/1425226931.db2.gz MMZWUJGBZBTGTJ-IBGZPJMESA-N 2 1 341.499 2.762 10 30 EFEEMP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001725039681 1425249971 /nfs/dbraw/zinc/24/99/71/1425249971.db2.gz DKODQGBDBPSSJP-HOTGVXAUSA-N 2 1 348.491 2.627 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001725039681 1425249980 /nfs/dbraw/zinc/24/99/80/1425249980.db2.gz DKODQGBDBPSSJP-HOTGVXAUSA-N 2 1 348.491 2.627 10 30 EFEEMP C=C(C)CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001725150514 1425335002 /nfs/dbraw/zinc/33/50/02/1425335002.db2.gz OSWGMYUADCJWBP-QGZVFWFLSA-N 2 1 346.519 2.794 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001725175708 1425356549 /nfs/dbraw/zinc/35/65/49/1425356549.db2.gz NISBWLXEFMRRQI-HOTGVXAUSA-N 2 1 341.459 2.672 10 30 EFEEMP C=CC[NH2+][C@H](CCN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001725213027 1425381926 /nfs/dbraw/zinc/38/19/26/1425381926.db2.gz IHMBCNVHUQOWKF-APWZRJJASA-N 2 1 341.515 2.848 10 30 EFEEMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001725238031 1425403266 /nfs/dbraw/zinc/40/32/66/1425403266.db2.gz SLFSYOVUWIPRIH-ZWKOTPCHSA-N 2 1 344.503 2.781 10 30 EFEEMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001725238031 1425403268 /nfs/dbraw/zinc/40/32/68/1425403268.db2.gz SLFSYOVUWIPRIH-ZWKOTPCHSA-N 2 1 344.503 2.781 10 30 EFEEMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001725243760 1425410020 /nfs/dbraw/zinc/41/00/20/1425410020.db2.gz ZONZPEJFWXDUQF-IBGZPJMESA-N 2 1 333.520 2.637 10 30 EFEEMP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001725251205 1425415699 /nfs/dbraw/zinc/41/56/99/1425415699.db2.gz BGYQAYIMPFWGEK-LPHOPBHVSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC001725290015 1425444300 /nfs/dbraw/zinc/44/43/00/1425444300.db2.gz NVJHZARBYNAXHP-DLBZAZTESA-N 2 1 333.520 2.796 10 30 EFEEMP C=CCCCCC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC001725290791 1425445858 /nfs/dbraw/zinc/44/58/58/1425445858.db2.gz HHQOKUPTXKZUHO-KRWDZBQOSA-N 2 1 332.492 2.765 10 30 EFEEMP C=CCCCCC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC001725290791 1425445861 /nfs/dbraw/zinc/44/58/61/1425445861.db2.gz HHQOKUPTXKZUHO-KRWDZBQOSA-N 2 1 332.492 2.765 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001725343755 1425492122 /nfs/dbraw/zinc/49/21/22/1425492122.db2.gz XTGHGOIOVWVYTQ-FHWLQOOXSA-N 2 1 347.547 2.996 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001725343755 1425492124 /nfs/dbraw/zinc/49/21/24/1425492124.db2.gz XTGHGOIOVWVYTQ-FHWLQOOXSA-N 2 1 347.547 2.996 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001725343755 1425492128 /nfs/dbraw/zinc/49/21/28/1425492128.db2.gz XTGHGOIOVWVYTQ-FHWLQOOXSA-N 2 1 347.547 2.996 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3c[nH+]cc3C)C[C@@]2(C)C1 ZINC001725345733 1425494535 /nfs/dbraw/zinc/49/45/35/1425494535.db2.gz MFPOZGVSSNVUDU-AHRSYUTCSA-N 2 1 344.503 2.717 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)Cn3c[nH+]cc3C)C[C@@]2(C)C1 ZINC001725345733 1425494536 /nfs/dbraw/zinc/49/45/36/1425494536.db2.gz MFPOZGVSSNVUDU-AHRSYUTCSA-N 2 1 344.503 2.717 10 30 EFEEMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)CCCC[NH+]3CCCC3)C[C@@]2(C)C1 ZINC001725347212 1425496415 /nfs/dbraw/zinc/49/64/15/1425496415.db2.gz PISRWPLLPMKMES-OYRHEFFESA-N 2 1 347.547 2.999 10 30 EFEEMP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001725417458 1425561457 /nfs/dbraw/zinc/56/14/57/1425561457.db2.gz PELMCXUSLOZVNW-WMLDXEAASA-N 2 1 347.906 2.826 10 30 EFEEMP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001725417452 1425562120 /nfs/dbraw/zinc/56/21/20/1425562120.db2.gz PELMCXUSLOZVNW-RHSMWYFYSA-N 2 1 347.906 2.826 10 30 EFEEMP C=CCC[N@H+](C)C1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001725424297 1425569404 /nfs/dbraw/zinc/56/94/04/1425569404.db2.gz KKMHIRZPHPXILA-LJQANCHMSA-N 2 1 339.499 2.698 10 30 EFEEMP C=CCC[NH+](C)C1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001725424297 1425569408 /nfs/dbraw/zinc/56/94/08/1425569408.db2.gz KKMHIRZPHPXILA-LJQANCHMSA-N 2 1 339.499 2.698 10 30 EFEEMP C=CCC[NH+](C)C1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001725424297 1425569413 /nfs/dbraw/zinc/56/94/13/1425569413.db2.gz KKMHIRZPHPXILA-LJQANCHMSA-N 2 1 339.499 2.698 10 30 EFEEMP C#CCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001725426434 1425572432 /nfs/dbraw/zinc/57/24/32/1425572432.db2.gz ZILFQISJRSBPNX-FQEVSTJZSA-N 2 1 345.531 2.730 10 30 EFEEMP C#CCC[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001725426434 1425572436 /nfs/dbraw/zinc/57/24/36/1425572436.db2.gz ZILFQISJRSBPNX-FQEVSTJZSA-N 2 1 345.531 2.730 10 30 EFEEMP C#CCC[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001725426434 1425572440 /nfs/dbraw/zinc/57/24/40/1425572440.db2.gz ZILFQISJRSBPNX-FQEVSTJZSA-N 2 1 345.531 2.730 10 30 EFEEMP C#CCC[NH+](C)C1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001725426727 1425572456 /nfs/dbraw/zinc/57/24/56/1425572456.db2.gz YRIQOQKOHYHNBD-HXUWFJFHSA-N 2 1 341.499 2.626 10 30 EFEEMP C=C(C)C[NH2+][C@H](CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001725445575 1425586923 /nfs/dbraw/zinc/58/69/23/1425586923.db2.gz UJSKUXAJTFHPGQ-VQIMIIECSA-N 2 1 341.515 2.896 10 30 EFEEMP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001725454795 1425591699 /nfs/dbraw/zinc/59/16/99/1425591699.db2.gz QZJVWAQIRPATNJ-MJGOQNOKSA-N 2 1 333.520 2.654 10 30 EFEEMP CC#CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1C ZINC001725626211 1425722335 /nfs/dbraw/zinc/72/23/35/1425722335.db2.gz KVXDDIBGBKTXBM-AEFFLSMTSA-N 2 1 333.520 2.632 10 30 EFEEMP CC#CC[NH+]1CCC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H]1C ZINC001725626211 1425722340 /nfs/dbraw/zinc/72/23/40/1425722340.db2.gz KVXDDIBGBKTXBM-AEFFLSMTSA-N 2 1 333.520 2.632 10 30 EFEEMP CC#CC[NH+]1CCC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H]1C ZINC001725626211 1425722344 /nfs/dbraw/zinc/72/23/44/1425722344.db2.gz KVXDDIBGBKTXBM-AEFFLSMTSA-N 2 1 333.520 2.632 10 30 EFEEMP C=C(C)CC[N@@H+](C)CCN(C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001725730452 1425800326 /nfs/dbraw/zinc/80/03/26/1425800326.db2.gz GEPOGDBISYTLPF-GOSISDBHSA-N 2 1 346.519 2.889 10 30 EFEEMP C=C(C)CC[N@H+](C)CCN(C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001725730452 1425800334 /nfs/dbraw/zinc/80/03/34/1425800334.db2.gz GEPOGDBISYTLPF-GOSISDBHSA-N 2 1 346.519 2.889 10 30 EFEEMP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C(C)(C)C ZINC001725739880 1425808571 /nfs/dbraw/zinc/80/85/71/1425808571.db2.gz NGNVTIWXURWAOW-ROUUACIJSA-N 2 1 333.520 2.537 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCCCCC)CC1 ZINC001725763187 1425829833 /nfs/dbraw/zinc/82/98/33/1425829833.db2.gz NWSXWVGJTKTFTL-QUCCMNQESA-N 2 1 347.547 2.881 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCCCCC)CC1 ZINC001725763187 1425829835 /nfs/dbraw/zinc/82/98/35/1425829835.db2.gz NWSXWVGJTKTFTL-QUCCMNQESA-N 2 1 347.547 2.881 10 30 EFEEMP C=CC[NH+]1CCC([C@@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001725763359 1425830179 /nfs/dbraw/zinc/83/01/79/1425830179.db2.gz SOYJTAUHYJFYIN-HZPDHXFCSA-N 2 1 332.492 2.799 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCC([C@H](C)NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001725767847 1425834230 /nfs/dbraw/zinc/83/42/30/1425834230.db2.gz UVHQDWZSIASNHH-WBVHZDCISA-N 2 1 332.492 2.763 10 30 EFEEMP C=CCCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001725779546 1425844519 /nfs/dbraw/zinc/84/45/19/1425844519.db2.gz IGVSCGNAALIAAM-KVZIAJEVSA-N 2 1 333.520 2.939 10 30 EFEEMP C=C(C)CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001725780654 1425845339 /nfs/dbraw/zinc/84/53/39/1425845339.db2.gz UYETWFQXULOKSV-KVZIAJEVSA-N 2 1 333.520 2.939 10 30 EFEEMP C=C(C)CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001725780655 1425845347 /nfs/dbraw/zinc/84/53/47/1425845347.db2.gz UYETWFQXULOKSV-NKELODKYSA-N 2 1 333.520 2.939 10 30 EFEEMP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C(C)(C)C ZINC001725795671 1425856915 /nfs/dbraw/zinc/85/69/15/1425856915.db2.gz OSKABNKCPQUNIY-RTBURBONSA-N 2 1 347.547 2.927 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001725817905 1425877110 /nfs/dbraw/zinc/87/71/10/1425877110.db2.gz YZHVJSNFZAIEJQ-MJGOQNOKSA-N 2 1 333.520 2.964 10 30 EFEEMP 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CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H](c1ccccc1)N(C)C ZINC001267180805 1093100804 /nfs/dbraw/zinc/10/08/04/1093100804.db2.gz CEPZWNJGHGPBRF-UXHICEINSA-N 2 1 341.499 2.673 10 30 EFEEMP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001267180805 1093100807 /nfs/dbraw/zinc/10/08/07/1093100807.db2.gz CEPZWNJGHGPBRF-UXHICEINSA-N 2 1 341.499 2.673 10 30 EFEEMP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001267180805 1093100810 /nfs/dbraw/zinc/10/08/10/1093100810.db2.gz CEPZWNJGHGPBRF-UXHICEINSA-N 2 1 341.499 2.673 10 30 EFEEMP C=C(C)C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)C1CC1 ZINC001267325521 1093581898 /nfs/dbraw/zinc/58/18/98/1093581898.db2.gz JPFQIQCNRGJNAT-QGZVFWFLSA-N 2 1 333.520 2.798 10 30 EFEEMP C=C(C)C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001267325521 1093581905 /nfs/dbraw/zinc/58/19/05/1093581905.db2.gz JPFQIQCNRGJNAT-QGZVFWFLSA-N 2 1 333.520 2.798 10 30 EFEEMP C=C(C)C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001267325521 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C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)Cc2cnccc2OC)C1 ZINC001267657734 1095356133 /nfs/dbraw/zinc/35/61/33/1095356133.db2.gz DAQPPOCEJWDNKX-IRXDYDNUSA-N 2 1 345.487 2.768 10 30 EFEEMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001268112532 1095382562 /nfs/dbraw/zinc/38/25/62/1095382562.db2.gz QTJCCURBQVYRCE-RTBURBONSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001268112532 1095382574 /nfs/dbraw/zinc/38/25/74/1095382574.db2.gz QTJCCURBQVYRCE-RTBURBONSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001268112532 1095382580 /nfs/dbraw/zinc/38/25/80/1095382580.db2.gz QTJCCURBQVYRCE-RTBURBONSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001268112532 1095382593 /nfs/dbraw/zinc/38/25/93/1095382593.db2.gz QTJCCURBQVYRCE-RTBURBONSA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001267557852 1095519999 /nfs/dbraw/zinc/51/99/99/1095519999.db2.gz NVGQKWGOBMBCKZ-HKUYNNGSSA-N 2 1 333.520 2.798 10 30 EFEEMP C=C(C)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001267557852 1095520006 /nfs/dbraw/zinc/52/00/06/1095520006.db2.gz NVGQKWGOBMBCKZ-HKUYNNGSSA-N 2 1 333.520 2.798 10 30 EFEEMP C=C(C)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001267557852 1095520016 /nfs/dbraw/zinc/52/00/16/1095520016.db2.gz NVGQKWGOBMBCKZ-HKUYNNGSSA-N 2 1 333.520 2.798 10 30 EFEEMP CC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001267562694 1095563993 /nfs/dbraw/zinc/56/39/93/1095563993.db2.gz MIWNTNDEFFOEED-QUCCMNQESA-N 2 1 345.531 2.635 10 30 EFEEMP CC#CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001267562694 1095564003 /nfs/dbraw/zinc/56/40/03/1095564003.db2.gz MIWNTNDEFFOEED-QUCCMNQESA-N 2 1 345.531 2.635 10 30 EFEEMP CC#CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001267562694 1095564014 /nfs/dbraw/zinc/56/40/14/1095564014.db2.gz MIWNTNDEFFOEED-QUCCMNQESA-N 2 1 345.531 2.635 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2CC[N@H+]([C@H](C)CCC=C)C2)CC1 ZINC001267572116 1095711694 /nfs/dbraw/zinc/71/16/94/1095711694.db2.gz WRCYPSOOEDXIQS-RTBURBONSA-N 2 1 345.531 2.515 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001267733111 1095749540 /nfs/dbraw/zinc/74/95/40/1095749540.db2.gz CESRUKLACUEGMY-MJGOQNOKSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[C@@H](C)[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001267733111 1095749553 /nfs/dbraw/zinc/74/95/53/1095749553.db2.gz CESRUKLACUEGMY-MJGOQNOKSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[C@@H](C)[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001267733111 1095749565 /nfs/dbraw/zinc/74/95/65/1095749565.db2.gz CESRUKLACUEGMY-MJGOQNOKSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCC[N@H+](C)CC1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001267733132 1095749858 /nfs/dbraw/zinc/74/98/58/1095749858.db2.gz DFTDJHIRJZGRBK-IBGZPJMESA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[NH+](C)CC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001267733132 1095749871 /nfs/dbraw/zinc/74/98/71/1095749871.db2.gz DFTDJHIRJZGRBK-IBGZPJMESA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[NH+](C)CC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001267733132 1095749882 /nfs/dbraw/zinc/74/98/82/1095749882.db2.gz DFTDJHIRJZGRBK-IBGZPJMESA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267588530 1096009861 /nfs/dbraw/zinc/00/98/61/1096009861.db2.gz CLJRBISACUQXRT-VQIMIIECSA-N 2 1 339.499 2.555 10 30 EFEEMP C=CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001267588530 1096009872 /nfs/dbraw/zinc/00/98/72/1096009872.db2.gz CLJRBISACUQXRT-VQIMIIECSA-N 2 1 339.499 2.555 10 30 EFEEMP C=CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001267588530 1096009882 /nfs/dbraw/zinc/00/98/82/1096009882.db2.gz CLJRBISACUQXRT-VQIMIIECSA-N 2 1 339.499 2.555 10 30 EFEEMP C=CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001268182225 1096039800 /nfs/dbraw/zinc/03/98/00/1096039800.db2.gz ZUWNZTKYZMKHKJ-SJORKVTESA-N 2 1 332.492 2.799 10 30 EFEEMP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001268378172 1096434022 /nfs/dbraw/zinc/43/40/22/1096434022.db2.gz RVWOHGRYLWCBFC-CQSZACIVSA-N 2 1 329.916 2.876 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@](C)(NC(=O)[C@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001481938544 1096968804 /nfs/dbraw/zinc/96/88/04/1096968804.db2.gz BXWNQTFFPARSAD-YJBOKZPZSA-N 2 1 341.927 2.735 10 30 EFEEMP C=C(C)CC[NH2+]C[C@]1(NC(=O)Cn2cc[nH+]c2C)CCCC[C@@H]1C ZINC001481962288 1097003238 /nfs/dbraw/zinc/00/32/38/1097003238.db2.gz DXYLOMDELXDNNI-QFBILLFUSA-N 2 1 332.492 2.812 10 30 EFEEMP C#CC[NH2+]C[C@@]1(NC(=O)CC[N@@H+](C)C2CCCCC2)CCCC[C@@H]1C ZINC001481963262 1097004241 /nfs/dbraw/zinc/00/42/41/1097004241.db2.gz UXVKHQRVCUVHLJ-RXVVDRJESA-N 2 1 347.547 2.929 10 30 EFEEMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC001482032578 1097124820 /nfs/dbraw/zinc/12/48/20/1097124820.db2.gz ZVPHJEPUXPGMGW-IBGZPJMESA-N 2 1 329.488 2.699 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001482103161 1097263888 /nfs/dbraw/zinc/26/38/88/1097263888.db2.gz YBNCZIIIYQZLKN-ZWKOTPCHSA-N 2 1 335.536 2.949 10 30 EFEEMP C=C(C)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001268769755 1097616974 /nfs/dbraw/zinc/61/69/74/1097616974.db2.gz DDXLQSJFSVXYTL-IRXDYDNUSA-N 2 1 332.492 2.847 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001268769753 1097617075 /nfs/dbraw/zinc/61/70/75/1097617075.db2.gz DDXLQSJFSVXYTL-IAGOWNOFSA-N 2 1 332.492 2.847 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCCCCC)CC1 ZINC001268988078 1097773855 /nfs/dbraw/zinc/77/38/55/1097773855.db2.gz LMHBNOANWQTSBF-PMACEKPBSA-N 2 1 345.531 2.587 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001269281682 1098015922 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2.508 10 30 EFEEMP C=C(Cl)C[N@H+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C(C)C ZINC001481349823 1099411721 /nfs/dbraw/zinc/41/17/21/1099411721.db2.gz BSRVWPLPCNJPCY-IAGOWNOFSA-N 2 1 341.927 2.973 10 30 EFEEMP C=C(Cl)C[NH+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C(C)C ZINC001481349823 1099411726 /nfs/dbraw/zinc/41/17/26/1099411726.db2.gz BSRVWPLPCNJPCY-IAGOWNOFSA-N 2 1 341.927 2.973 10 30 EFEEMP C=C(Cl)C[NH+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C(C)C ZINC001481349823 1099411728 /nfs/dbraw/zinc/41/17/28/1099411728.db2.gz BSRVWPLPCNJPCY-IAGOWNOFSA-N 2 1 341.927 2.973 10 30 EFEEMP C=CCC[C@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001270751455 1099526944 /nfs/dbraw/zinc/52/69/44/1099526944.db2.gz BZWMUJIIKRSDRS-HNAYVOBHSA-N 2 1 348.491 2.533 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001481408114 1099657115 /nfs/dbraw/zinc/65/71/15/1099657115.db2.gz JUNLWNGVRQUSBX-QZTJIDSGSA-N 2 1 344.503 2.643 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001481408114 1099657124 /nfs/dbraw/zinc/65/71/24/1099657124.db2.gz JUNLWNGVRQUSBX-QZTJIDSGSA-N 2 1 344.503 2.643 10 30 EFEEMP C=C(C[NH+](C)C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001624547883 1099704610 /nfs/dbraw/zinc/70/46/10/1099704610.db2.gz AVSJRGPZEXDEQS-KRWDZBQOSA-N 2 1 329.488 2.795 10 30 EFEEMP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)CC2 ZINC001270869791 1099918678 /nfs/dbraw/zinc/91/86/78/1099918678.db2.gz DQUVXLWLFJEPIG-SFHVURJKSA-N 2 1 333.520 2.751 10 30 EFEEMP CC#CC[NH+]1CCC(C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001270878836 1099990702 /nfs/dbraw/zinc/99/07/02/1099990702.db2.gz DCCXALOMYVFHGJ-QGZVFWFLSA-N 2 1 344.503 2.638 10 30 EFEEMP C=CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001270885433 1100090092 /nfs/dbraw/zinc/09/00/92/1100090092.db2.gz JBVZTMXCDCLSLI-GOSISDBHSA-N 2 1 333.520 2.798 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001270974531 1100327878 /nfs/dbraw/zinc/32/78/78/1100327878.db2.gz QTWOTIPYUOTOMT-UYAOXDASSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001270974531 1100327886 /nfs/dbraw/zinc/32/78/86/1100327886.db2.gz QTWOTIPYUOTOMT-UYAOXDASSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001270974531 1100327892 /nfs/dbraw/zinc/32/78/92/1100327892.db2.gz QTWOTIPYUOTOMT-UYAOXDASSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001270999242 1100352342 /nfs/dbraw/zinc/35/23/42/1100352342.db2.gz MLZMBXJHSHJUHH-LJQANCHMSA-N 2 1 332.492 2.766 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001270999242 1100352354 /nfs/dbraw/zinc/35/23/54/1100352354.db2.gz MLZMBXJHSHJUHH-LJQANCHMSA-N 2 1 332.492 2.766 10 30 EFEEMP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CC[N@H+]1C1CCCC1)C(C)C ZINC001632735227 1100497608 /nfs/dbraw/zinc/49/76/08/1100497608.db2.gz XVFQBGHVAAAFDL-OALUTQOASA-N 2 1 333.520 2.818 10 30 EFEEMP C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001266601805 1101363442 /nfs/dbraw/zinc/36/34/42/1101363442.db2.gz NHNCGBAEDXTCNJ-CADBVGFASA-N 2 1 333.520 2.987 10 30 EFEEMP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001271438809 1101686265 /nfs/dbraw/zinc/68/62/65/1101686265.db2.gz PHDAIHXZEPRGPI-IBGZPJMESA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266659403 1101698227 /nfs/dbraw/zinc/69/82/27/1101698227.db2.gz OPDSMFABZOPCOA-MSOLQXFVSA-N 2 1 333.520 2.607 10 30 EFEEMP C#CCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001656447442 1102089594 /nfs/dbraw/zinc/08/95/94/1102089594.db2.gz HPSDZFRKQVAJGR-QZTJIDSGSA-N 2 1 335.536 2.594 10 30 EFEEMP C=CCCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1C ZINC001656454986 1102098149 /nfs/dbraw/zinc/09/81/49/1102098149.db2.gz WGXINCCWJAIVBA-WMZOPIPTSA-N 2 1 332.492 2.765 10 30 EFEEMP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001656542747 1102117891 /nfs/dbraw/zinc/11/78/91/1102117891.db2.gz NBSKBTRWJXZABU-SQNIBIBYSA-N 2 1 344.503 2.637 10 30 EFEEMP C=CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001656673440 1102169039 /nfs/dbraw/zinc/16/90/39/1102169039.db2.gz JQTOHTWAVNSXGR-RTBURBONSA-N 2 1 347.478 2.628 10 30 EFEEMP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001271607646 1102170584 /nfs/dbraw/zinc/17/05/84/1102170584.db2.gz GUTHUUFSRUGSKF-AEFFLSMTSA-N 2 1 332.492 2.907 10 30 EFEEMP C=CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001656677685 1102171269 /nfs/dbraw/zinc/17/12/69/1102171269.db2.gz DFTMMCSXEGBUPW-RTBURBONSA-N 2 1 347.478 2.628 10 30 EFEEMP C=CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001656677685 1102171275 /nfs/dbraw/zinc/17/12/75/1102171275.db2.gz DFTMMCSXEGBUPW-RTBURBONSA-N 2 1 347.478 2.628 10 30 EFEEMP 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RRRINYZHNXPKKU-TZIWHRDSSA-N 2 1 347.547 2.835 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001484164882 1112869202 /nfs/dbraw/zinc/86/92/02/1112869202.db2.gz HKOLIQVDLZLUMI-SFHVURJKSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001484164882 1112869203 /nfs/dbraw/zinc/86/92/03/1112869203.db2.gz HKOLIQVDLZLUMI-SFHVURJKSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001484170985 1112881316 /nfs/dbraw/zinc/88/13/16/1112881316.db2.gz BZDNDYXQNHHAMA-IBGZPJMESA-N 2 1 332.492 2.766 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001484170985 1112881319 /nfs/dbraw/zinc/88/13/19/1112881319.db2.gz BZDNDYXQNHHAMA-IBGZPJMESA-N 2 1 332.492 2.766 10 30 EFEEMP C=C(C)C[NH+]1CCC(F)(F)[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001484195306 1112909558 /nfs/dbraw/zinc/90/95/58/1112909558.db2.gz KFQHOEHQPBLSGR-JKSUJKDBSA-N 2 1 343.462 2.510 10 30 EFEEMP C=C(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001484195306 1112909566 /nfs/dbraw/zinc/90/95/66/1112909566.db2.gz KFQHOEHQPBLSGR-JKSUJKDBSA-N 2 1 343.462 2.510 10 30 EFEEMP C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001484195306 1112909571 /nfs/dbraw/zinc/90/95/71/1112909571.db2.gz KFQHOEHQPBLSGR-JKSUJKDBSA-N 2 1 343.462 2.510 10 30 EFEEMP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001484558487 1113012267 /nfs/dbraw/zinc/01/22/67/1113012267.db2.gz HHXFOPGULYGEGI-YLJYHZDGSA-N 2 1 341.499 2.850 10 30 EFEEMP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC001484562811 1113024243 /nfs/dbraw/zinc/02/42/43/1113024243.db2.gz GVKOFQNDDYKMEX-XLIONFOSSA-N 2 1 341.499 2.851 10 30 EFEEMP C=C(C)C[N@@H+]1CCc2c(CNC(=O)[C@H](CC)[NH+](C)C)cccc2C1 ZINC001484611994 1113053149 /nfs/dbraw/zinc/05/31/49/1113053149.db2.gz AWRAXBBUWQMDGX-IBGZPJMESA-N 2 1 329.488 2.577 10 30 EFEEMP C=C(C)C[NH+]1Cc2ccc(CNC(=O)C[C@H]3CC[N@H+](C)C3)cc2C1 ZINC001484875781 1117790820 /nfs/dbraw/zinc/79/08/20/1117790820.db2.gz RFNPEXLFNGTHJO-QGZVFWFLSA-N 2 1 327.472 2.536 10 30 EFEEMP C=C(C)C[N@H+]1Cc2ccc(CNC(=O)C[C@H]3CC[NH+](C)C3)cc2C1 ZINC001484875781 1117790824 /nfs/dbraw/zinc/79/08/24/1117790824.db2.gz RFNPEXLFNGTHJO-QGZVFWFLSA-N 2 1 327.472 2.536 10 30 EFEEMP C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)C[C@H]3CC[NH+](C)C3)cc2C1 ZINC001484875781 1117790826 /nfs/dbraw/zinc/79/08/26/1117790826.db2.gz RFNPEXLFNGTHJO-QGZVFWFLSA-N 2 1 327.472 2.536 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001484939885 1117856992 /nfs/dbraw/zinc/85/69/92/1117856992.db2.gz GFOWGQNMYXZHSH-GOSISDBHSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001484943298 1117869132 /nfs/dbraw/zinc/86/91/32/1117869132.db2.gz MBQJXRPXJROMPZ-ZWKOTPCHSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001484984253 1117909597 /nfs/dbraw/zinc/90/95/97/1117909597.db2.gz ZTVAHJPADKKNAD-QZTJIDSGSA-N 2 1 333.520 2.798 10 30 EFEEMP C=C(C)CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001485006186 1117937717 /nfs/dbraw/zinc/93/77/17/1117937717.db2.gz MKCVFCYAIXZOEA-FQEVSTJZSA-N 2 1 341.499 2.764 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001485029194 1117954186 /nfs/dbraw/zinc/95/41/86/1117954186.db2.gz KHWFGTITDHXNLD-MJGOQNOKSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[C@@H](C)[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001485029194 1117954188 /nfs/dbraw/zinc/95/41/88/1117954188.db2.gz KHWFGTITDHXNLD-MJGOQNOKSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[C@@H](C)[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001485029194 1117954190 /nfs/dbraw/zinc/95/41/90/1117954190.db2.gz KHWFGTITDHXNLD-MJGOQNOKSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001485029195 1117954383 /nfs/dbraw/zinc/95/43/83/1117954383.db2.gz KHWFGTITDHXNLD-PKOBYXMFSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[C@H](C)[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001485029195 1117954386 /nfs/dbraw/zinc/95/43/86/1117954386.db2.gz KHWFGTITDHXNLD-PKOBYXMFSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[C@H](C)[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001485029195 1117954391 /nfs/dbraw/zinc/95/43/91/1117954391.db2.gz KHWFGTITDHXNLD-PKOBYXMFSA-N 2 1 335.536 2.996 10 30 EFEEMP C#CCN1CCC[C@H]1C(=O)N1CCC(C[N@H+](CC)C[C@H](C)CC)CC1 ZINC001485030953 1117956336 /nfs/dbraw/zinc/95/63/36/1117956336.db2.gz FBSLAHXQTHLEOH-QUCCMNQESA-N 2 1 347.547 2.691 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@@H+](CC)C[C@H](C)CC)CC1 ZINC001485030953 1117956339 /nfs/dbraw/zinc/95/63/39/1117956339.db2.gz FBSLAHXQTHLEOH-QUCCMNQESA-N 2 1 347.547 2.691 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@H+](CC)C[C@H](C)CC)CC1 ZINC001485030953 1117956340 /nfs/dbraw/zinc/95/63/40/1117956340.db2.gz FBSLAHXQTHLEOH-QUCCMNQESA-N 2 1 347.547 2.691 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](CC)C[C@H](C)CC)CC1 ZINC001485030953 1117956342 /nfs/dbraw/zinc/95/63/42/1117956342.db2.gz FBSLAHXQTHLEOH-QUCCMNQESA-N 2 1 347.547 2.691 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](CC)C[C@H](C)CC)CC1 ZINC001485030953 1117956343 /nfs/dbraw/zinc/95/63/43/1117956343.db2.gz FBSLAHXQTHLEOH-QUCCMNQESA-N 2 1 347.547 2.691 10 30 EFEEMP C=CCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001485031728 1117957434 /nfs/dbraw/zinc/95/74/34/1117957434.db2.gz TUQWWSSBSWPDGE-IBGZPJMESA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001485031728 1117957438 /nfs/dbraw/zinc/95/74/38/1117957438.db2.gz TUQWWSSBSWPDGE-IBGZPJMESA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001485031728 1117957442 /nfs/dbraw/zinc/95/74/42/1117957442.db2.gz TUQWWSSBSWPDGE-IBGZPJMESA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC001485058475 1117996736 /nfs/dbraw/zinc/99/67/36/1117996736.db2.gz OCKFHSRWGDDKLX-INIZCTEOSA-N 2 1 335.517 2.922 10 30 EFEEMP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001485073505 1118012820 /nfs/dbraw/zinc/01/28/20/1118012820.db2.gz SGJMHERLSBXVSZ-LJQANCHMSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001485085298 1118024927 /nfs/dbraw/zinc/02/49/27/1118024927.db2.gz ZQVZJVLJUXTQHX-OALUTQOASA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001485085298 1118024933 /nfs/dbraw/zinc/02/49/33/1118024933.db2.gz ZQVZJVLJUXTQHX-OALUTQOASA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001485085298 1118024936 /nfs/dbraw/zinc/02/49/36/1118024936.db2.gz ZQVZJVLJUXTQHX-OALUTQOASA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)C[NH2+]CC1CC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001485091828 1118025469 /nfs/dbraw/zinc/02/54/69/1118025469.db2.gz GDIZHWGLBXHHQN-ADKAHSJRSA-N 2 1 333.520 2.702 10 30 EFEEMP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001485467052 1118376731 /nfs/dbraw/zinc/37/67/31/1118376731.db2.gz YXCFDEQRGPGYKO-IEBWSBKVSA-N 2 1 333.520 2.681 10 30 EFEEMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001485481646 1118409621 /nfs/dbraw/zinc/40/96/21/1118409621.db2.gz DXHUNPAGWQTLRJ-GOSISDBHSA-N 2 1 332.492 2.909 10 30 EFEEMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001485481646 1118409624 /nfs/dbraw/zinc/40/96/24/1118409624.db2.gz DXHUNPAGWQTLRJ-GOSISDBHSA-N 2 1 332.492 2.909 10 30 EFEEMP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001485617823 1118482268 /nfs/dbraw/zinc/48/22/68/1118482268.db2.gz AQTLVOHQCVWTKW-CADBVGFASA-N 2 1 333.520 2.511 10 30 EFEEMP C=CCC[NH+]1CCCC2(CN(C(=O)C[N@@H+](C)Cc3ccccc3)C2)C1 ZINC001485665468 1118514396 /nfs/dbraw/zinc/51/43/96/1118514396.db2.gz NQLLBGBYBPOJJA-UHFFFAOYSA-N 2 1 341.499 2.619 10 30 EFEEMP C=CCC[NH+]1CCCC2(CN(C(=O)C[N@H+](C)Cc3ccccc3)C2)C1 ZINC001485665468 1118514399 /nfs/dbraw/zinc/51/43/99/1118514399.db2.gz NQLLBGBYBPOJJA-UHFFFAOYSA-N 2 1 341.499 2.619 10 30 EFEEMP C=CCC[N@H+]1CCCC2(CN(C(=O)C[NH+](C)Cc3ccccc3)C2)C1 ZINC001485665468 1118514400 /nfs/dbraw/zinc/51/44/00/1118514400.db2.gz NQLLBGBYBPOJJA-UHFFFAOYSA-N 2 1 341.499 2.619 10 30 EFEEMP C=CCC[N@@H+]1CCCC2(CN(C(=O)C[NH+](C)Cc3ccccc3)C2)C1 ZINC001485665468 1118514403 /nfs/dbraw/zinc/51/44/03/1118514403.db2.gz NQLLBGBYBPOJJA-UHFFFAOYSA-N 2 1 341.499 2.619 10 30 EFEEMP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001485740151 1118552387 /nfs/dbraw/zinc/55/23/87/1118552387.db2.gz IBYVCKSCFABAAY-HOTGVXAUSA-N 2 1 329.916 2.876 10 30 EFEEMP C=CCCCCC[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001485758073 1118562801 /nfs/dbraw/zinc/56/28/01/1118562801.db2.gz WZMSXADKFONYRZ-FQEVSTJZSA-N 2 1 347.547 2.997 10 30 EFEEMP C=C(C)C[NH2+]CCC[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001485779322 1118587823 /nfs/dbraw/zinc/58/78/23/1118587823.db2.gz ADZKLVPYRXPIED-OALUTQOASA-N 2 1 329.488 2.742 10 30 EFEEMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940800536 1118634127 /nfs/dbraw/zinc/63/41/27/1118634127.db2.gz BZVSKDHTPKZNES-RTBURBONSA-N 2 1 345.531 2.633 10 30 EFEEMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000940800536 1118634128 /nfs/dbraw/zinc/63/41/28/1118634128.db2.gz BZVSKDHTPKZNES-RTBURBONSA-N 2 1 345.531 2.633 10 30 EFEEMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940800536 1118634130 /nfs/dbraw/zinc/63/41/30/1118634130.db2.gz BZVSKDHTPKZNES-RTBURBONSA-N 2 1 345.531 2.633 10 30 EFEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000941092986 1118667235 /nfs/dbraw/zinc/66/72/35/1118667235.db2.gz IMYSFUOXXYTDJT-IBGZPJMESA-N 2 1 341.499 2.602 10 30 EFEEMP c1ccc(NC(=[NH+]C[C@@H]2C[N@@H+](C3CC3)CCO2)N2CCCCC2)cc1 ZINC000262700443 240365417 /nfs/dbraw/zinc/36/54/17/240365417.db2.gz KJMNFGDNXHRFOE-LJQANCHMSA-N 2 1 342.487 2.804 10 30 EFEEMP c1ccc(NC(=[NH+]C[C@@H]2C[N@H+](C3CC3)CCO2)N2CCCCC2)cc1 ZINC000262700443 240365422 /nfs/dbraw/zinc/36/54/22/240365422.db2.gz KJMNFGDNXHRFOE-LJQANCHMSA-N 2 1 342.487 2.804 10 30 EFEEMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000246084113 240263834 /nfs/dbraw/zinc/26/38/34/240263834.db2.gz DZNAOTFNFZZXRY-ROUUACIJSA-N 2 1 344.503 2.937 10 30 EFEEMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000261694972 240319507 /nfs/dbraw/zinc/31/95/07/240319507.db2.gz IVGVUEGXTILLCD-RDBSUJKOSA-N 2 1 334.430 2.614 10 30 EFEEMP C=CCOc1cccc(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)c1 ZINC000355649642 242041806 /nfs/dbraw/zinc/04/18/06/242041806.db2.gz MAEFKUHIUGRALZ-UHFFFAOYSA-N 2 1 339.439 2.977 10 30 EFEEMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCCCC(C)(C)C#N)CC2)CC1 ZINC000365631313 242330562 /nfs/dbraw/zinc/33/05/62/242330562.db2.gz WOSXKAKDZBUCSI-UHFFFAOYSA-N 2 1 348.535 2.583 10 30 EFEEMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(C#N)cc2)[C@H](C)C1 ZINC000081096167 217361265 /nfs/dbraw/zinc/36/12/65/217361265.db2.gz CTQQEMCLLJYAMW-CRAIPNDOSA-N 2 1 328.460 2.549 10 30 EFEEMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)[C@H](C)C1 ZINC000081096167 217361268 /nfs/dbraw/zinc/36/12/68/217361268.db2.gz CTQQEMCLLJYAMW-CRAIPNDOSA-N 2 1 328.460 2.549 10 30 EFEEMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)[C@H](C)C1 ZINC000081096167 217361270 /nfs/dbraw/zinc/36/12/70/217361270.db2.gz CTQQEMCLLJYAMW-CRAIPNDOSA-N 2 1 328.460 2.549 10 30 EFEEMP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)ccc1C#N ZINC000443988529 250245122 /nfs/dbraw/zinc/24/51/22/250245122.db2.gz OXXPLKLRPRRAQY-UHFFFAOYSA-N 2 1 335.451 2.989 10 30 EFEEMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@@H+]1C ZINC000123463889 222281987 /nfs/dbraw/zinc/28/19/87/222281987.db2.gz SINJNVAGDXLFTO-XJKSGUPXSA-N 2 1 348.878 2.955 10 30 EFEEMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@H+]1C ZINC000123463889 222281989 /nfs/dbraw/zinc/28/19/89/222281989.db2.gz SINJNVAGDXLFTO-XJKSGUPXSA-N 2 1 348.878 2.955 10 30 EFEEMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[NH+]1C ZINC000123463889 222281992 /nfs/dbraw/zinc/28/19/92/222281992.db2.gz SINJNVAGDXLFTO-XJKSGUPXSA-N 2 1 348.878 2.955 10 30 EFEEMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[NH+]1C ZINC000123463889 222281994 /nfs/dbraw/zinc/28/19/94/222281994.db2.gz SINJNVAGDXLFTO-XJKSGUPXSA-N 2 1 348.878 2.955 10 30 EFEEMP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245425148 274276185 /nfs/dbraw/zinc/27/61/85/274276185.db2.gz KMMYACNCPFUFHW-FXAWDEMLSA-N 2 1 326.488 2.721 10 30 EFEEMP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245425148 274276188 /nfs/dbraw/zinc/27/61/88/274276188.db2.gz KMMYACNCPFUFHW-FXAWDEMLSA-N 2 1 326.488 2.721 10 30 EFEEMP C=CCC[C@@H](C[N@H+]1CCCOCC1)Oc1ccc(C[NH+](C)C)cn1 ZINC000072420098 472663195 /nfs/dbraw/zinc/66/31/95/472663195.db2.gz HHROEIXAWDOKGG-SFHVURJKSA-N 2 1 333.476 2.579 10 30 EFEEMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000120836267 472755277 /nfs/dbraw/zinc/75/52/77/472755277.db2.gz IPIWLRCHXVDXDM-KRWDZBQOSA-N 2 1 325.460 2.664 10 30 EFEEMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000120836267 472755282 /nfs/dbraw/zinc/75/52/82/472755282.db2.gz IPIWLRCHXVDXDM-KRWDZBQOSA-N 2 1 325.460 2.664 10 30 EFEEMP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000106213708 472832538 /nfs/dbraw/zinc/83/25/38/472832538.db2.gz DWZNHRRBAJFIKY-IRXDYDNUSA-N 2 1 332.492 2.896 10 30 EFEEMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000106213708 472832543 /nfs/dbraw/zinc/83/25/43/472832543.db2.gz DWZNHRRBAJFIKY-IRXDYDNUSA-N 2 1 332.492 2.896 10 30 EFEEMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(OC)c3c(c2)OCCO3)CC1 ZINC000106246263 472836109 /nfs/dbraw/zinc/83/61/09/472836109.db2.gz KJEYQNWXYBAXPP-UHFFFAOYSA-N 2 1 332.444 2.597 10 30 EFEEMP C=CC[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000625701607 480016216 /nfs/dbraw/zinc/01/62/16/480016216.db2.gz AOQNBSVXIKPJKY-IBGZPJMESA-N 2 1 341.499 2.797 10 30 EFEEMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc(C#N)cc2OC)[C@H](C)C1 ZINC000081095979 473145612 /nfs/dbraw/zinc/14/56/12/473145612.db2.gz OVSKANFWJQHHFB-WBVHZDCISA-N 2 1 331.460 2.608 10 30 EFEEMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc(C#N)cc2OC)[C@H](C)C1 ZINC000081095979 473145617 /nfs/dbraw/zinc/14/56/17/473145617.db2.gz OVSKANFWJQHHFB-WBVHZDCISA-N 2 1 331.460 2.608 10 30 EFEEMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc(C#N)cc2OC)[C@H](C)C1 ZINC000081095979 473145624 /nfs/dbraw/zinc/14/56/24/473145624.db2.gz OVSKANFWJQHHFB-WBVHZDCISA-N 2 1 331.460 2.608 10 30 EFEEMP N#CC1(c2ccccc2)CCC([NH2+]CCC[NH+]2CCC(O)CC2)CC1 ZINC000271055782 474389459 /nfs/dbraw/zinc/38/94/59/474389459.db2.gz CTWRKQXDOVWGDC-UHFFFAOYSA-N 2 1 341.499 2.827 10 30 EFEEMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)cc1 ZINC000183684431 474412618 /nfs/dbraw/zinc/41/26/18/474412618.db2.gz GJOWPIBHOVRIQQ-HUUCEWRRSA-N 2 1 339.443 2.592 10 30 EFEEMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2OC)[C@@H](C)C1 ZINC000248941560 474487727 /nfs/dbraw/zinc/48/77/27/474487727.db2.gz CSGZJICAXRQWTB-QFBILLFUSA-N 2 1 345.487 2.793 10 30 EFEEMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2OC)[C@@H](C)C1 ZINC000248941560 474487735 /nfs/dbraw/zinc/48/77/35/474487735.db2.gz CSGZJICAXRQWTB-QFBILLFUSA-N 2 1 345.487 2.793 10 30 EFEEMP C[N@H+]1CC[C@]2(CCN(CC#Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000292207074 474904530 /nfs/dbraw/zinc/90/45/30/474904530.db2.gz SXAGANPOHFYBEE-KRWDZBQOSA-N 2 1 338.373 2.964 10 30 EFEEMP COC1CCC([NH+](C)CC#CC[N@H+](C)C2CCC(OC)CC2)CC1 ZINC000341879195 475376813 /nfs/dbraw/zinc/37/68/13/475376813.db2.gz AWYCJJSYTKBQAZ-UHFFFAOYSA-N 2 1 336.520 2.769 10 30 EFEEMP C=CCOc1ccccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354026425 476374857 /nfs/dbraw/zinc/37/48/57/476374857.db2.gz SUHBYKMIAWFZFO-UYAOXDASSA-N 2 1 343.515 2.709 10 30 EFEEMP C=CCOc1ccccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354026425 476374862 /nfs/dbraw/zinc/37/48/62/476374862.db2.gz SUHBYKMIAWFZFO-UYAOXDASSA-N 2 1 343.515 2.709 10 30 EFEEMP C=CC[C@@H]1[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CCCC1(C)C ZINC000444777379 476730018 /nfs/dbraw/zinc/73/00/18/476730018.db2.gz FOOGPRVGSLALPB-SFHVURJKSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CCOc1ccccc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415049356 476908401 /nfs/dbraw/zinc/90/84/01/476908401.db2.gz GYIDFRQLXCVIJE-UHFFFAOYSA-N 2 1 329.488 2.557 10 30 EFEEMP CC[N@H+]1CC[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)[C@@H](C)C1 ZINC000437102735 477671112 /nfs/dbraw/zinc/67/11/12/477671112.db2.gz HEKJXKCGGMMZCO-RXQRSOPUSA-N 2 1 342.487 2.963 10 30 EFEEMP C[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000594445347 478392755 /nfs/dbraw/zinc/39/27/55/478392755.db2.gz JKYJGZLVRDPPOG-IXDOHACOSA-N 2 1 348.878 2.613 10 30 EFEEMP C[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000594445347 478392759 /nfs/dbraw/zinc/39/27/59/478392759.db2.gz JKYJGZLVRDPPOG-IXDOHACOSA-N 2 1 348.878 2.613 10 30 EFEEMP CC[C@H]1CN(C(=O)[C@H]([NH3+])CCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000594447250 478393994 /nfs/dbraw/zinc/39/39/94/478393994.db2.gz WLEQWSGMJMHEOB-RBUKOAKNSA-N 2 1 342.487 2.521 10 30 EFEEMP CC[C@H]1CN(C(=O)[C@H]([NH3+])CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000594447250 478394003 /nfs/dbraw/zinc/39/40/03/478394003.db2.gz WLEQWSGMJMHEOB-RBUKOAKNSA-N 2 1 342.487 2.521 10 30 EFEEMP CC(C)(C#N)c1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000594499897 478413264 /nfs/dbraw/zinc/41/32/64/478413264.db2.gz DLUDPWYFDSJLPW-IBGZPJMESA-N 2 1 329.488 2.814 10 30 EFEEMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600715749 478482618 /nfs/dbraw/zinc/48/26/18/478482618.db2.gz IBVJRKATUAWTEP-IBGZPJMESA-N 2 1 327.472 2.604 10 30 EFEEMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000527731864 478495979 /nfs/dbraw/zinc/49/59/79/478495979.db2.gz XTMWLYRGJDWKRK-LJQANCHMSA-N 2 1 348.535 2.733 10 30 EFEEMP Cc1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)ccc1C#N ZINC000594975862 478615506 /nfs/dbraw/zinc/61/55/06/478615506.db2.gz WCTBZGJFJXXVFJ-NRFANRHFSA-N 2 1 335.451 2.723 10 30 EFEEMP CC1(C#N)CCC([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000594976311 478615653 /nfs/dbraw/zinc/61/56/53/478615653.db2.gz ZSNOORSPBFBWFD-GPJFCIFZSA-N 2 1 327.472 2.815 10 30 EFEEMP N#Cc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000582610013 478641999 /nfs/dbraw/zinc/64/19/99/478641999.db2.gz SQHBPFFCFKWLGL-UHFFFAOYSA-N 2 1 328.416 2.774 10 30 EFEEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000599372389 479275070 /nfs/dbraw/zinc/27/50/70/479275070.db2.gz IZTCOSBIWMFIES-QRQLOZEOSA-N 2 1 327.472 2.541 10 30 EFEEMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@@H](O)CC3(C#N)CC3)C2)s1 ZINC000599405542 479286265 /nfs/dbraw/zinc/28/62/65/479286265.db2.gz YOAGXXIGODPVRC-IRXDYDNUSA-N 2 1 347.528 2.865 10 30 EFEEMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@@H](O)CC3(C#N)CC3)C2)s1 ZINC000599405542 479286267 /nfs/dbraw/zinc/28/62/67/479286267.db2.gz YOAGXXIGODPVRC-IRXDYDNUSA-N 2 1 347.528 2.865 10 30 EFEEMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@@H](O)CC3(C#N)CC3)C2)s1 ZINC000599405542 479286271 /nfs/dbraw/zinc/28/62/71/479286271.db2.gz YOAGXXIGODPVRC-IRXDYDNUSA-N 2 1 347.528 2.865 10 30 EFEEMP C[NH+](C)CCC[N@H+](C)CCNc1ccc(Br)cc1C#N ZINC000596425580 479290728 /nfs/dbraw/zinc/29/07/28/479290728.db2.gz REMIYQXUMAYBGP-UHFFFAOYSA-N 2 1 339.281 2.616 10 30 EFEEMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc(Br)cc1C#N ZINC000596425580 479290733 /nfs/dbraw/zinc/29/07/33/479290733.db2.gz REMIYQXUMAYBGP-UHFFFAOYSA-N 2 1 339.281 2.616 10 30 EFEEMP CN(CC[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1)C1CC[NH+](C)CC1 ZINC000597131315 479586774 /nfs/dbraw/zinc/58/67/74/479586774.db2.gz VLOZGVKGAQSTQX-UHFFFAOYSA-N 2 1 340.515 2.700 10 30 EFEEMP CN(CCC[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1)CC[NH+](C)C ZINC000597133628 479590158 /nfs/dbraw/zinc/59/01/58/479590158.db2.gz WWHMRODPPXFBJM-UHFFFAOYSA-N 2 1 328.504 2.557 10 30 EFEEMP CN(CC[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1)C1CC[NH+](C)CC1 ZINC000614176883 480217051 /nfs/dbraw/zinc/21/70/51/480217051.db2.gz AIFRUKCWZAOLPO-UHFFFAOYSA-N 2 1 342.531 2.946 10 30 EFEEMP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000662089727 481542572 /nfs/dbraw/zinc/54/25/72/481542572.db2.gz DILLOMFFKOHSIX-CEXWTWQISA-N 2 1 327.472 2.589 10 30 EFEEMP C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000651678477 481901606 /nfs/dbraw/zinc/90/16/06/481901606.db2.gz RQIMAFVNBUSFHM-PXNSSMCTSA-N 2 1 341.499 2.909 10 30 EFEEMP C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000651678476 481902502 /nfs/dbraw/zinc/90/25/02/481902502.db2.gz RQIMAFVNBUSFHM-FXAWDEMLSA-N 2 1 341.499 2.909 10 30 EFEEMP C=CC[C@]1(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000662680271 481930965 /nfs/dbraw/zinc/93/09/65/481930965.db2.gz UHCASWQNPTWUQY-OAQYLSRUSA-N 2 1 341.499 2.638 10 30 EFEEMP C=CC[C@@]1(C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)CCC[NH2+]1 ZINC000662696411 481937873 /nfs/dbraw/zinc/93/78/73/481937873.db2.gz ZTLJPSSZRDVYME-FQEVSTJZSA-N 2 1 329.488 2.841 10 30 EFEEMP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000245851122 519693540 /nfs/dbraw/zinc/69/35/40/519693540.db2.gz GKMGNXDRZMDOIU-DYESRHJHSA-N 2 1 340.515 2.841 10 30 EFEEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000245851122 519693541 /nfs/dbraw/zinc/69/35/41/519693541.db2.gz GKMGNXDRZMDOIU-DYESRHJHSA-N 2 1 340.515 2.841 10 30 EFEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000154587221 534779797 /nfs/dbraw/zinc/77/97/97/534779797.db2.gz KDGNFAPLXUWYCY-KSSFIOAISA-N 2 1 337.427 2.555 10 30 EFEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000154587221 534779800 /nfs/dbraw/zinc/77/98/00/534779800.db2.gz KDGNFAPLXUWYCY-KSSFIOAISA-N 2 1 337.427 2.555 10 30 EFEEMP N#Cc1ccc2ncc(C[NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)n2c1 ZINC000192929067 526694440 /nfs/dbraw/zinc/69/44/40/526694440.db2.gz DSYGLSXCRHMKJY-IBGZPJMESA-N 2 1 345.450 2.818 10 30 EFEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000262849211 535549566 /nfs/dbraw/zinc/54/95/66/535549566.db2.gz WLNISWOWLQHUTD-KBRIMQKVSA-N 2 1 336.430 2.599 10 30 EFEEMP C=CCOc1ccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000685457657 550154539 /nfs/dbraw/zinc/15/45/39/550154539.db2.gz IQOJEEJSIAKKTE-FQEVSTJZSA-N 2 1 343.515 2.852 10 30 EFEEMP N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000768404115 577271846 /nfs/dbraw/zinc/27/18/46/577271846.db2.gz VLJCMBBWZBKZAU-RKDVLTNBSA-N 2 1 339.483 2.843 10 30 EFEEMP N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000768404115 577271848 /nfs/dbraw/zinc/27/18/48/577271848.db2.gz VLJCMBBWZBKZAU-RKDVLTNBSA-N 2 1 339.483 2.843 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001691417031 1248758214 /nfs/dbraw/zinc/75/82/14/1248758214.db2.gz SRCKKBNJPUNNMO-RTBURBONSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)[C@H]21 ZINC001691429094 1248883128 /nfs/dbraw/zinc/88/31/28/1248883128.db2.gz UYZMNIGYQGHDSI-NEWSRXKRSA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1C(F)(F)F ZINC001691935177 1249062161 /nfs/dbraw/zinc/06/21/61/1249062161.db2.gz BQLCQNOVOICEMP-CABCVRRESA-N 2 1 349.441 2.519 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@H](C)CC(C)C)CC1 ZINC001772517264 1247946347 /nfs/dbraw/zinc/94/63/47/1247946347.db2.gz FBHGKJYKOCCJNC-WTGUMLROSA-N 2 1 347.547 2.783 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@H](C)CC(C)C)CC1 ZINC001772517264 1247946366 /nfs/dbraw/zinc/94/63/66/1247946366.db2.gz FBHGKJYKOCCJNC-WTGUMLROSA-N 2 1 347.547 2.783 10 30 EFEEMP C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001691798352 1248316656 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OHTMXMLCQFWUJJ-FQEVSTJZSA-N 2 1 347.547 2.835 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CC/C=C\CCC)CC1 ZINC001691075532 1248362520 /nfs/dbraw/zinc/36/25/20/1248362520.db2.gz TYXPUYZHUDDRSO-WHXUGTBJSA-N 2 1 345.531 2.611 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001691086446 1248383596 /nfs/dbraw/zinc/38/35/96/1248383596.db2.gz QSGAKRQGKWQHSH-MRXNPFEDSA-N 2 1 326.444 2.803 10 30 EFEEMP C=C(C)CC[N@H+](CCC)CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001691191376 1248521577 /nfs/dbraw/zinc/52/15/77/1248521577.db2.gz YIWKHXZXYOGEQM-KRWDZBQOSA-N 2 1 332.492 2.548 10 30 EFEEMP C=C(C)CC[N@@H+](CCC)CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001691191376 1248521583 /nfs/dbraw/zinc/52/15/83/1248521583.db2.gz YIWKHXZXYOGEQM-KRWDZBQOSA-N 2 1 332.492 2.548 10 30 EFEEMP C=CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001691276869 1248589999 /nfs/dbraw/zinc/58/99/99/1248589999.db2.gz GSAFELYREOZZRU-RTBURBONSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001484094352 1252234273 /nfs/dbraw/zinc/23/42/73/1252234273.db2.gz OKFSZNTYUGCLOY-QWFCFKBJSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001484397582 1252521844 /nfs/dbraw/zinc/52/18/44/1252521844.db2.gz KPLCVFYSRZZECI-GUDVDZBRSA-N 2 1 335.536 2.949 10 30 EFEEMP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001484394387 1252532578 /nfs/dbraw/zinc/53/25/78/1252532578.db2.gz LCUBOAQWOQKXGD-VAMGGRTRSA-N 2 1 347.547 2.644 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC/C=C\CC)CC2)CC1 ZINC001484727853 1252818909 /nfs/dbraw/zinc/81/89/09/1252818909.db2.gz HDFJXSGNGDZRBV-KKHYBRAUSA-N 2 1 345.531 2.659 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001484721845 1252843053 /nfs/dbraw/zinc/84/30/53/1252843053.db2.gz ONQAMZQUHZADJG-JKSUJKDBSA-N 2 1 329.916 2.830 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001484772327 1252947067 /nfs/dbraw/zinc/94/70/67/1252947067.db2.gz QRXLPTFACKSUNR-RTBURBONSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[NH2+]CC[C@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001273018577 1265828202 /nfs/dbraw/zinc/82/82/02/1265828202.db2.gz MRQFKJUYXKRZEC-MAUKXSAKSA-N 2 1 327.488 2.650 10 30 EFEEMP C=CCC[C@@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001272777374 1257942430 /nfs/dbraw/zinc/94/24/30/1257942430.db2.gz GOOPXIHJJNUDBV-KBAYOESNSA-N 2 1 332.492 2.811 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001670919494 1258632947 /nfs/dbraw/zinc/63/29/47/1258632947.db2.gz VEZUTEYNDCHZJL-LJQANCHMSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001670919494 1258632957 /nfs/dbraw/zinc/63/29/57/1258632957.db2.gz VEZUTEYNDCHZJL-LJQANCHMSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001670919494 1258632964 /nfs/dbraw/zinc/63/29/64/1258632964.db2.gz VEZUTEYNDCHZJL-LJQANCHMSA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001670922565 1258673528 /nfs/dbraw/zinc/67/35/28/1258673528.db2.gz DGTNADZIEUSJSR-ROUUACIJSA-N 2 1 333.520 2.607 10 30 EFEEMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001670960973 1259078250 /nfs/dbraw/zinc/07/82/50/1259078250.db2.gz RKMJTNKDASPUAE-UXHICEINSA-N 2 1 345.531 2.730 10 30 EFEEMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C1CCCCC1 ZINC001670960973 1259078259 /nfs/dbraw/zinc/07/82/59/1259078259.db2.gz RKMJTNKDASPUAE-UXHICEINSA-N 2 1 345.531 2.730 10 30 EFEEMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C1CCCCC1 ZINC001670960973 1259078267 /nfs/dbraw/zinc/07/82/67/1259078267.db2.gz RKMJTNKDASPUAE-UXHICEINSA-N 2 1 345.531 2.730 10 30 EFEEMP C=CCC[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CCCCCC1 ZINC001670976510 1259258666 /nfs/dbraw/zinc/25/86/66/1259258666.db2.gz BHWWGBKYKLTKNZ-UHFFFAOYSA-N 2 1 333.520 2.799 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001671044088 1259930502 /nfs/dbraw/zinc/93/05/02/1259930502.db2.gz BATAKSJXPVNYNR-UYAOXDASSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001671044088 1259930511 /nfs/dbraw/zinc/93/05/11/1259930511.db2.gz BATAKSJXPVNYNR-UYAOXDASSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001671044088 1259930517 /nfs/dbraw/zinc/93/05/17/1259930517.db2.gz BATAKSJXPVNYNR-UYAOXDASSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001671044085 1259931383 /nfs/dbraw/zinc/93/13/83/1259931383.db2.gz BATAKSJXPVNYNR-AZUAARDMSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001671044085 1259931385 /nfs/dbraw/zinc/93/13/85/1259931385.db2.gz BATAKSJXPVNYNR-AZUAARDMSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001671044085 1259931387 /nfs/dbraw/zinc/93/13/87/1259931387.db2.gz BATAKSJXPVNYNR-AZUAARDMSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001671045192 1259936630 /nfs/dbraw/zinc/93/66/30/1259936630.db2.gz RJYWNNUBRKDUPC-HXUWFJFHSA-N 2 1 333.520 2.753 10 30 EFEEMP Cc1cc(N2CCC([NH2+]Cc3csc(C#N)c3)CC2)nc(C)[nH+]1 ZINC000921816685 1261796856 /nfs/dbraw/zinc/79/68/56/1261796856.db2.gz HAYCTDHDUKYGAY-UHFFFAOYSA-N 2 1 327.457 2.785 10 30 EFEEMP C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923501782 1261799452 /nfs/dbraw/zinc/79/94/52/1261799452.db2.gz VLSOWTSUDRAANB-GJZGRUSLSA-N 2 1 333.501 2.820 10 30 EFEEMP C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923501782 1261799454 /nfs/dbraw/zinc/79/94/54/1261799454.db2.gz VLSOWTSUDRAANB-GJZGRUSLSA-N 2 1 333.501 2.820 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC001486097084 1262621520 /nfs/dbraw/zinc/62/15/20/1262621520.db2.gz TYUDTYKDUAANBI-MJGOQNOKSA-N 2 1 329.488 2.664 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC001486097084 1262621527 /nfs/dbraw/zinc/62/15/27/1262621527.db2.gz TYUDTYKDUAANBI-MJGOQNOKSA-N 2 1 329.488 2.664 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@H]12 ZINC001486154503 1262711535 /nfs/dbraw/zinc/71/15/35/1262711535.db2.gz LNWFJFGIODGEBS-IEZWGBDMSA-N 2 1 330.476 2.659 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@H]12 ZINC001486154503 1262711539 /nfs/dbraw/zinc/71/15/39/1262711539.db2.gz LNWFJFGIODGEBS-IEZWGBDMSA-N 2 1 330.476 2.659 10 30 EFEEMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001486182388 1262756406 /nfs/dbraw/zinc/75/64/06/1262756406.db2.gz VSPIEXSTPKRXEL-SJLPKXTDSA-N 2 1 332.492 2.907 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001486182388 1262756407 /nfs/dbraw/zinc/75/64/07/1262756407.db2.gz VSPIEXSTPKRXEL-SJLPKXTDSA-N 2 1 332.492 2.907 10 30 EFEEMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001486182386 1262756610 /nfs/dbraw/zinc/75/66/10/1262756610.db2.gz VSPIEXSTPKRXEL-AEFFLSMTSA-N 2 1 332.492 2.907 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001486182386 1262756614 /nfs/dbraw/zinc/75/66/14/1262756614.db2.gz VSPIEXSTPKRXEL-AEFFLSMTSA-N 2 1 332.492 2.907 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1(C)C ZINC001486236232 1262833356 /nfs/dbraw/zinc/83/33/56/1262833356.db2.gz ONKFKBYZGVKBSM-ROUUACIJSA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1(C)C ZINC001486250578 1262856493 /nfs/dbraw/zinc/85/64/93/1262856493.db2.gz RYHOTHGYKAETJQ-GOSISDBHSA-N 2 1 329.488 2.521 10 30 EFEEMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)CC1(C)C ZINC001486250578 1262856505 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MHAFVRASQRQDEF-IEBWSBKVSA-N 2 1 335.536 2.994 10 30 EFEEMP C[C@H]1C[N@@H+](Cc2ccccc2)CCC1=NNCC[NH+]1CCCCC1 ZINC000734365132 1266954722 /nfs/dbraw/zinc/95/47/22/1266954722.db2.gz CCYYPWCCABJDRL-SFHVURJKSA-N 2 1 328.504 2.960 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)(C)C ZINC001411214773 1272028915 /nfs/dbraw/zinc/02/89/15/1272028915.db2.gz VJOPLMUTVHUHPK-CABCVRRESA-N 2 1 329.916 2.732 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001137552958 1281478111 /nfs/dbraw/zinc/47/81/11/1281478111.db2.gz IKJBFBAQOXHCPW-ROUUACIJSA-N 2 1 329.488 2.616 10 30 EFEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000876738555 1290997327 /nfs/dbraw/zinc/99/73/27/1290997327.db2.gz GSAABRDMORVAKF-UKRRQHHQSA-N 2 1 341.908 2.546 10 30 EFEEMP C#CCCOc1ccc(C[N@@H+](CCOC)CC2CC[NH+](C)CC2)cc1 ZINC000877665238 1291319218 /nfs/dbraw/zinc/31/92/18/1291319218.db2.gz NJXPLMHUZZCJLC-UHFFFAOYSA-N 2 1 344.499 2.879 10 30 EFEEMP C#CCC[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001273607068 1292290511 /nfs/dbraw/zinc/29/05/11/1292290511.db2.gz IAIVWJWKUJIWKT-VQTJNVASSA-N 2 1 347.547 2.835 10 30 EFEEMP C#CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001273607068 1292290521 /nfs/dbraw/zinc/29/05/21/1292290521.db2.gz IAIVWJWKUJIWKT-VQTJNVASSA-N 2 1 347.547 2.835 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001273607068 1292290529 /nfs/dbraw/zinc/29/05/29/1292290529.db2.gz IAIVWJWKUJIWKT-VQTJNVASSA-N 2 1 347.547 2.835 10 30 EFEEMP CC#CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001273606538 1292295276 /nfs/dbraw/zinc/29/52/76/1292295276.db2.gz ADXFJFUQSRRONZ-PMACEKPBSA-N 2 1 347.547 2.835 10 30 EFEEMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001276334635 1292840242 /nfs/dbraw/zinc/84/02/42/1292840242.db2.gz RJHXOMDELDGINB-VQTJNVASSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C 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C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001490793701 1299261942 /nfs/dbraw/zinc/26/19/42/1299261942.db2.gz JXCIJAXLGGYPLK-OTWHNJEPSA-N 2 1 333.520 2.748 10 30 EFEEMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001490793701 1299261951 /nfs/dbraw/zinc/26/19/51/1299261951.db2.gz JXCIJAXLGGYPLK-OTWHNJEPSA-N 2 1 333.520 2.748 10 30 EFEEMP C#CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CC2CCCCC2)CC1 ZINC001278129233 1313688211 /nfs/dbraw/zinc/68/82/11/1313688211.db2.gz XXICRIOHXNPPGZ-FQEVSTJZSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CCN(C(=O)Cn1c[nH+]cc1C)C1CC[NH+](CC(CC)CC)CC1 ZINC001278163865 1313732289 /nfs/dbraw/zinc/73/22/89/1313732289.db2.gz WGQHPGWKQVGUII-UHFFFAOYSA-N 2 1 344.503 2.554 10 30 EFEEMP C#CCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C1CC[NH+](CCC2CC2)CC1 ZINC001278200573 1313781536 /nfs/dbraw/zinc/78/15/36/1313781536.db2.gz NJHZXXBCEVGZNB-HDICACEKSA-N 2 1 345.531 2.586 10 30 EFEEMP C=CC[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1C)c1ccc2ccccc2c1 ZINC001278205561 1313786859 /nfs/dbraw/zinc/78/68/59/1313786859.db2.gz BCDANECQRVCMKZ-HXUWFJFHSA-N 2 1 348.450 2.978 10 30 EFEEMP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CCCC1 ZINC001278240448 1313830624 /nfs/dbraw/zinc/83/06/24/1313830624.db2.gz BUTZOYNHEVYOOH-WOJBJXKFSA-N 2 1 345.531 2.681 10 30 EFEEMP CC#CC[NH2+]C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C1CCCC1 ZINC001278241317 1313832055 /nfs/dbraw/zinc/83/20/55/1313832055.db2.gz NNNURFQVDBKAIH-FUHWJXTLSA-N 2 1 344.503 2.685 10 30 EFEEMP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)[C@@H](C)C1 ZINC000866445322 1303644785 /nfs/dbraw/zinc/64/47/85/1303644785.db2.gz JCDODRCAWUPRPN-QFBILLFUSA-N 2 1 326.488 2.847 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)CC1 ZINC001490804044 1303948515 /nfs/dbraw/zinc/94/85/15/1303948515.db2.gz KZAMMINYNAVALD-QRVBRYPASA-N 2 1 333.520 2.748 10 30 EFEEMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001276623532 1314113645 /nfs/dbraw/zinc/11/36/45/1314113645.db2.gz FERVPVGVYMVBNA-QZTJIDSGSA-N 2 1 329.488 2.692 10 30 EFEEMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001276623532 1314113647 /nfs/dbraw/zinc/11/36/47/1314113647.db2.gz FERVPVGVYMVBNA-QZTJIDSGSA-N 2 1 329.488 2.692 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000900918248 1308932493 /nfs/dbraw/zinc/93/24/93/1308932493.db2.gz ORJCAUPBBBTVRN-LJQANCHMSA-N 2 1 329.488 2.617 10 30 EFEEMP CCC[N@H+](CCO[C@@H](C)C#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000801931945 1311118260 /nfs/dbraw/zinc/11/82/60/1311118260.db2.gz DXGMVLYRAJRQQA-INIZCTEOSA-N 2 1 345.491 2.703 10 30 EFEEMP CCC[N@@H+](CCO[C@@H](C)C#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000801931945 1311118262 /nfs/dbraw/zinc/11/82/62/1311118262.db2.gz DXGMVLYRAJRQQA-INIZCTEOSA-N 2 1 345.491 2.703 10 30 EFEEMP C=C(C)C[NH2+][C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1ccccc1 ZINC001284149197 1320237653 /nfs/dbraw/zinc/23/76/53/1320237653.db2.gz SWVSNCGTYKLRNG-YZGWKJHDSA-N 2 1 343.515 2.610 10 30 EFEEMP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001277283644 1311922985 /nfs/dbraw/zinc/92/29/85/1311922985.db2.gz GQWHFIUIIOBQCM-MSOLQXFVSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001277283653 1311923366 /nfs/dbraw/zinc/92/33/66/1311923366.db2.gz GQWHFIUIIOBQCM-ZWKOTPCHSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001277389067 1312099095 /nfs/dbraw/zinc/09/90/95/1312099095.db2.gz ZIZNNJCBBUVSLC-UHFFFAOYSA-N 2 1 331.504 2.504 10 30 EFEEMP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001277393721 1312106036 /nfs/dbraw/zinc/10/60/36/1312106036.db2.gz PGIMAKVVFQZMIJ-FQEVSTJZSA-N 2 1 345.531 2.586 10 30 EFEEMP C#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001277393721 1312106040 /nfs/dbraw/zinc/10/60/40/1312106040.db2.gz PGIMAKVVFQZMIJ-FQEVSTJZSA-N 2 1 345.531 2.586 10 30 EFEEMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001277393721 1312106044 /nfs/dbraw/zinc/10/60/44/1312106044.db2.gz PGIMAKVVFQZMIJ-FQEVSTJZSA-N 2 1 345.531 2.586 10 30 EFEEMP C=CCC[NH+](C)C1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001277428664 1312154868 /nfs/dbraw/zinc/15/48/68/1312154868.db2.gz BTHYNQULVKRLPR-UHFFFAOYSA-N 2 1 343.515 2.660 10 30 EFEEMP C=CCC[N@@H+](C)C1CCN(C(=O)C[NH+](C)CCc2ccccc2)CC1 ZINC001277428664 1312154870 /nfs/dbraw/zinc/15/48/70/1312154870.db2.gz BTHYNQULVKRLPR-UHFFFAOYSA-N 2 1 343.515 2.660 10 30 EFEEMP C=CCC[N@H+](C)C1CCN(C(=O)C[NH+](C)CCc2ccccc2)CC1 ZINC001277428664 1312154873 /nfs/dbraw/zinc/15/48/73/1312154873.db2.gz BTHYNQULVKRLPR-UHFFFAOYSA-N 2 1 343.515 2.660 10 30 EFEEMP C=CCCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001277441087 1312174996 /nfs/dbraw/zinc/17/49/96/1312174996.db2.gz KAHWBQYRLUOZJJ-IEBWSBKVSA-N 2 1 335.536 2.996 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N2CCC([N@H+](C)CC/C=C/CC)CC2)CC1 ZINC001277447613 1312197475 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YXVUZSOCDBKGDP-XUVXKRRUSA-N 2 1 341.499 2.577 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@H]12 ZINC001278466104 1314684135 /nfs/dbraw/zinc/68/41/35/1314684135.db2.gz GRDKQAKDUFALIO-AZUAARDMSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCCC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@H]12 ZINC001278466104 1314684139 /nfs/dbraw/zinc/68/41/39/1314684139.db2.gz GRDKQAKDUFALIO-AZUAARDMSA-N 2 1 333.520 2.798 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)CCCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001278473430 1314712407 /nfs/dbraw/zinc/71/24/07/1314712407.db2.gz INXLOSOVLQJLCC-UYAOXDASSA-N 2 1 333.520 2.942 10 30 EFEEMP C=CCC(C)(C)CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC001251417591 1315347148 /nfs/dbraw/zinc/34/71/48/1315347148.db2.gz JUTCKZKHNAFQFE-KRWDZBQOSA-N 2 1 338.540 2.646 10 30 EFEEMP C=CCCC[NH2+][C@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1(C)C ZINC001278668657 1315456378 /nfs/dbraw/zinc/45/63/78/1315456378.db2.gz ZPMARUDLBOBEEP-WMZOPIPTSA-N 2 1 344.503 2.547 10 30 EFEEMP 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QEWYSGFBUIFKFI-MOPGFXCFSA-N 2 1 347.547 2.739 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCCC(C)(C)C)C1 ZINC001265584582 1316828786 /nfs/dbraw/zinc/82/87/86/1316828786.db2.gz QEWYSGFBUIFKFI-MOPGFXCFSA-N 2 1 347.547 2.739 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCCC(C)(C)C)C1 ZINC001265584582 1316828789 /nfs/dbraw/zinc/82/87/89/1316828789.db2.gz QEWYSGFBUIFKFI-MOPGFXCFSA-N 2 1 347.547 2.739 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001265680387 1316852303 /nfs/dbraw/zinc/85/23/03/1316852303.db2.gz OFGPJOHQMFUEBP-QZTJIDSGSA-N 2 1 344.503 2.691 10 30 EFEEMP CC#CC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001265697471 1316858559 /nfs/dbraw/zinc/85/85/59/1316858559.db2.gz SPSQFRRWODWQGJ-OALUTQOASA-N 2 1 333.520 2.587 10 30 EFEEMP CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)CCC ZINC001265697471 1316858561 /nfs/dbraw/zinc/85/85/61/1316858561.db2.gz SPSQFRRWODWQGJ-OALUTQOASA-N 2 1 333.520 2.587 10 30 EFEEMP CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)CCC ZINC001265697471 1316858563 /nfs/dbraw/zinc/85/85/63/1316858563.db2.gz SPSQFRRWODWQGJ-OALUTQOASA-N 2 1 333.520 2.587 10 30 EFEEMP CC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001265702856 1316861228 /nfs/dbraw/zinc/86/12/28/1316861228.db2.gz ISYYZBRZFHKMFF-QZTJIDSGSA-N 2 1 347.547 2.879 10 30 EFEEMP CC#CC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001265702856 1316861230 /nfs/dbraw/zinc/86/12/30/1316861230.db2.gz ISYYZBRZFHKMFF-QZTJIDSGSA-N 2 1 347.547 2.879 10 30 EFEEMP CC#CC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001265702856 1316861231 /nfs/dbraw/zinc/86/12/31/1316861231.db2.gz ISYYZBRZFHKMFF-QZTJIDSGSA-N 2 1 347.547 2.879 10 30 EFEEMP C=CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001265708417 1316864313 /nfs/dbraw/zinc/86/43/13/1316864313.db2.gz NUPORKKLKAMNEJ-FUHWJXTLSA-N 2 1 332.492 2.765 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001265708417 1316864317 /nfs/dbraw/zinc/86/43/17/1316864317.db2.gz NUPORKKLKAMNEJ-FUHWJXTLSA-N 2 1 332.492 2.765 10 30 EFEEMP C=CCC[C@@H](C)[N@H+](C)CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001265911832 1316910732 /nfs/dbraw/zinc/91/07/32/1316910732.db2.gz HCRHFWRDSXDMCX-WBVHZDCISA-N 2 1 332.492 2.547 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001265911832 1316910736 /nfs/dbraw/zinc/91/07/36/1316910736.db2.gz HCRHFWRDSXDMCX-WBVHZDCISA-N 2 1 332.492 2.547 10 30 EFEEMP CC#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001266009996 1316949921 /nfs/dbraw/zinc/94/99/21/1316949921.db2.gz CDNTXEHBHHEOFS-ICSRJNTNSA-N 2 1 341.499 2.501 10 30 EFEEMP CC#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001266009996 1316949924 /nfs/dbraw/zinc/94/99/24/1316949924.db2.gz CDNTXEHBHHEOFS-ICSRJNTNSA-N 2 1 341.499 2.501 10 30 EFEEMP CC#CC[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 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/nfs/dbraw/zinc/74/00/22/1327740022.db2.gz QBDKAKBOWYHFTL-DLBZAZTESA-N 2 1 332.492 2.799 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001317218010 1327762757 /nfs/dbraw/zinc/76/27/57/1327762757.db2.gz ZPHGZNCMVADJOJ-ACBHZAAOSA-N 2 1 347.547 2.927 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001317218010 1327762764 /nfs/dbraw/zinc/76/27/64/1327762764.db2.gz ZPHGZNCMVADJOJ-ACBHZAAOSA-N 2 1 347.547 2.927 10 30 EFEEMP CCC[N@@H+](C)CC(=O)NCC[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001317411099 1327960587 /nfs/dbraw/zinc/96/05/87/1327960587.db2.gz BKEWKGFPKOYNRB-INIZCTEOSA-N 2 1 349.906 2.518 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CC[C@H]2CCC[C@H](C)C2)CC1 ZINC001317471963 1328059884 /nfs/dbraw/zinc/05/98/84/1328059884.db2.gz SGDJDJMNNGYZKA-RBUKOAKNSA-N 2 1 347.547 2.596 10 30 EFEEMP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001317531687 1328117834 /nfs/dbraw/zinc/11/78/34/1328117834.db2.gz BXSMOVNAMFGYRY-MJGOQNOKSA-N 2 1 329.488 2.694 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001317531687 1328117839 /nfs/dbraw/zinc/11/78/39/1328117839.db2.gz BXSMOVNAMFGYRY-MJGOQNOKSA-N 2 1 329.488 2.694 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001317531687 1328117841 /nfs/dbraw/zinc/11/78/41/1328117841.db2.gz BXSMOVNAMFGYRY-MJGOQNOKSA-N 2 1 329.488 2.694 10 30 EFEEMP C=C(Cl)C[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(C)C ZINC001317686400 1328291059 /nfs/dbraw/zinc/29/10/59/1328291059.db2.gz LWFYEEBGTFJICH-JKSUJKDBSA-N 2 1 329.916 2.686 10 30 EFEEMP C=C(Cl)C[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C(C)C ZINC001317686400 1328291072 /nfs/dbraw/zinc/29/10/72/1328291072.db2.gz LWFYEEBGTFJICH-JKSUJKDBSA-N 2 1 329.916 2.686 10 30 EFEEMP C=C(Cl)C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C(C)C ZINC001317686400 1328291081 /nfs/dbraw/zinc/29/10/81/1328291081.db2.gz LWFYEEBGTFJICH-JKSUJKDBSA-N 2 1 329.916 2.686 10 30 EFEEMP C=C(C)C[N@H+](CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1)C(C)C ZINC001317694169 1328298395 /nfs/dbraw/zinc/29/83/95/1328298395.db2.gz RWEGUDYGBIMBPL-UHFFFAOYSA-N 2 1 341.459 2.674 10 30 EFEEMP C=CCCC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001317721027 1328330522 /nfs/dbraw/zinc/33/05/22/1328330522.db2.gz QVRPQJWKRMFQSU-RTBURBONSA-N 2 1 329.488 2.884 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001317796812 1328385694 /nfs/dbraw/zinc/38/56/94/1328385694.db2.gz GIFZMYILPLCFQX-ROUUACIJSA-N 2 1 344.503 2.548 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001317796812 1328385702 /nfs/dbraw/zinc/38/57/02/1328385702.db2.gz GIFZMYILPLCFQX-ROUUACIJSA-N 2 1 344.503 2.548 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](C)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001317875188 1328432906 /nfs/dbraw/zinc/43/29/06/1328432906.db2.gz CHWJEUYFPSLHCD-KRWDZBQOSA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001317877198 1328434108 /nfs/dbraw/zinc/43/41/08/1328434108.db2.gz UONYYWQBRMLHIO-MOPGFXCFSA-N 2 1 333.520 2.750 10 30 EFEEMP C=C(C)C[NH+](C)CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001317877198 1328434114 /nfs/dbraw/zinc/43/41/14/1328434114.db2.gz UONYYWQBRMLHIO-MOPGFXCFSA-N 2 1 333.520 2.750 10 30 EFEEMP C=C(C)C[NH+](C)CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001317877198 1328434119 /nfs/dbraw/zinc/43/41/19/1328434119.db2.gz UONYYWQBRMLHIO-MOPGFXCFSA-N 2 1 333.520 2.750 10 30 EFEEMP CCCCCCC[NH+]1CC(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001318148495 1328507618 /nfs/dbraw/zinc/50/76/18/1328507618.db2.gz IXWYHCIHROMBAH-SFHVURJKSA-N 2 1 346.519 2.772 10 30 EFEEMP C=CCO[C@@H]1CC[N@@H+](C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC001322278196 1329443059 /nfs/dbraw/zinc/44/30/59/1329443059.db2.gz VQVSQZXMPRXPRM-UXHICEINSA-N 2 1 330.472 2.554 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)CC2CCC(C)CC2)CC1 ZINC001322306285 1329445287 /nfs/dbraw/zinc/44/52/87/1329445287.db2.gz JACVEDQFWQWCNT-JLAWEPINSA-N 2 1 347.547 2.594 10 30 EFEEMP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001323540450 1329550475 /nfs/dbraw/zinc/55/04/75/1329550475.db2.gz CUHBCNZVAGSJHP-DNVCBOLYSA-N 2 1 339.499 2.792 10 30 EFEEMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001323638267 1329557043 /nfs/dbraw/zinc/55/70/43/1329557043.db2.gz QFKULIYQMKOAGT-LJQANCHMSA-N 2 1 333.520 2.609 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001323645220 1329558409 /nfs/dbraw/zinc/55/84/09/1329558409.db2.gz YFTCENZUWWCKMP-MOPGFXCFSA-N 2 1 345.531 2.751 10 30 EFEEMP CC#CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001323645069 1329558713 /nfs/dbraw/zinc/55/87/13/1329558713.db2.gz XKGPNNDGGODQCH-UXHICEINSA-N 2 1 345.531 2.589 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)C[NH+](CC)CC ZINC001323685582 1329561351 /nfs/dbraw/zinc/56/13/51/1329561351.db2.gz ZMBZDDCKEWEHNF-FGTMMUONSA-N 2 1 339.499 2.698 10 30 EFEEMP C=CCCC[NH+](CC1CC1)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001323734143 1329566522 /nfs/dbraw/zinc/56/65/22/1329566522.db2.gz XAUVEKOXTCIAIK-GOSISDBHSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@H+](CC1CC1)C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001323734143 1329566525 /nfs/dbraw/zinc/56/65/25/1329566525.db2.gz XAUVEKOXTCIAIK-GOSISDBHSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@@H+](CC1CC1)C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001323734143 1329566526 /nfs/dbraw/zinc/56/65/26/1329566526.db2.gz XAUVEKOXTCIAIK-GOSISDBHSA-N 2 1 347.547 2.997 10 30 EFEEMP C=C(C)C[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001323733937 1329566601 /nfs/dbraw/zinc/56/66/01/1329566601.db2.gz PLCXJXIHBQCNCC-IBGZPJMESA-N 2 1 333.520 2.750 10 30 EFEEMP C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001323733937 1329566603 /nfs/dbraw/zinc/56/66/03/1329566603.db2.gz PLCXJXIHBQCNCC-IBGZPJMESA-N 2 1 333.520 2.750 10 30 EFEEMP C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001323733937 1329566606 /nfs/dbraw/zinc/56/66/06/1329566606.db2.gz PLCXJXIHBQCNCC-IBGZPJMESA-N 2 1 333.520 2.750 10 30 EFEEMP C=CC[NH+](CC1CC1)C1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001323736191 1329567134 /nfs/dbraw/zinc/56/71/34/1329567134.db2.gz LLJJBRVUSKPZFI-CALCHBBNSA-N 2 1 333.520 2.748 10 30 EFEEMP C=CC[N@H+](CC1CC1)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001323736191 1329567136 /nfs/dbraw/zinc/56/71/36/1329567136.db2.gz LLJJBRVUSKPZFI-CALCHBBNSA-N 2 1 333.520 2.748 10 30 EFEEMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001323736191 1329567138 /nfs/dbraw/zinc/56/71/38/1329567138.db2.gz LLJJBRVUSKPZFI-CALCHBBNSA-N 2 1 333.520 2.748 10 30 EFEEMP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+](C)CCCCCC)C2)C1 ZINC001323813140 1329573835 /nfs/dbraw/zinc/57/38/35/1329573835.db2.gz OLUCUIRJUPEIEF-NRFANRHFSA-N 2 1 347.547 2.836 10 30 EFEEMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)CCCCCC)C2)C1 ZINC001323813140 1329573837 /nfs/dbraw/zinc/57/38/37/1329573837.db2.gz OLUCUIRJUPEIEF-NRFANRHFSA-N 2 1 347.547 2.836 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)CCCCCC)C2)C1 ZINC001323813140 1329573840 /nfs/dbraw/zinc/57/38/40/1329573840.db2.gz OLUCUIRJUPEIEF-NRFANRHFSA-N 2 1 347.547 2.836 10 30 EFEEMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001323813032 1329573873 /nfs/dbraw/zinc/57/38/73/1329573873.db2.gz MZNVUTCUUZZOIU-HXUWFJFHSA-N 2 1 344.503 2.862 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001323813032 1329573874 /nfs/dbraw/zinc/57/38/74/1329573874.db2.gz MZNVUTCUUZZOIU-HXUWFJFHSA-N 2 1 344.503 2.862 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001323860833 1329580814 /nfs/dbraw/zinc/58/08/14/1329580814.db2.gz WXZSFPQCQKJIMR-OAQYLSRUSA-N 2 1 347.547 2.999 10 30 EFEEMP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)CCC[NH+](CCC)CCC)C2)C1 ZINC001323872466 1329581583 /nfs/dbraw/zinc/58/15/83/1329581583.db2.gz JQACYVXSAFNBJV-NRFANRHFSA-N 2 1 347.547 2.836 10 30 EFEEMP C#CCN(C(=O)Cn1c[nH+]cc1C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001324408596 1329624594 /nfs/dbraw/zinc/62/45/94/1329624594.db2.gz WQTGNEADXFPVPK-UHFFFAOYSA-N 2 1 344.503 2.554 10 30 EFEEMP C#CCN(C(=O)CC[N@@H+](C)C1CCCCC1)C1CC[NH+](CC)CC1 ZINC001324407273 1329624683 /nfs/dbraw/zinc/62/46/83/1329624683.db2.gz IHQGXRANNGQDIE-UHFFFAOYSA-N 2 1 333.520 2.587 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CC/C=C\CCC)C2)CC1 ZINC001324673823 1329650458 /nfs/dbraw/zinc/65/04/58/1329650458.db2.gz OJCQKGSWKZTBIF-GIWCCYDRSA-N 2 1 345.531 2.659 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CC/C=C/CCC)C2)CC1 ZINC001324673826 1329650657 /nfs/dbraw/zinc/65/06/57/1329650657.db2.gz OJCQKGSWKZTBIF-QQUYBBDPSA-N 2 1 345.531 2.659 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001324958161 1329663183 /nfs/dbraw/zinc/66/31/83/1329663183.db2.gz PNWBDSSZCUGNRG-ICSRJNTNSA-N 2 1 335.536 2.903 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001324958161 1329663185 /nfs/dbraw/zinc/66/31/85/1329663185.db2.gz PNWBDSSZCUGNRG-ICSRJNTNSA-N 2 1 335.536 2.903 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001324958161 1329663187 /nfs/dbraw/zinc/66/31/87/1329663187.db2.gz PNWBDSSZCUGNRG-ICSRJNTNSA-N 2 1 335.536 2.903 10 30 EFEEMP C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001325472691 1329690819 /nfs/dbraw/zinc/69/08/19/1329690819.db2.gz CVZQRCOFXMAIQB-MJGOQNOKSA-N 2 1 329.488 2.521 10 30 EFEEMP C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001325472691 1329690820 /nfs/dbraw/zinc/69/08/20/1329690820.db2.gz CVZQRCOFXMAIQB-MJGOQNOKSA-N 2 1 329.488 2.521 10 30 EFEEMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C2 ZINC001325642478 1329703373 /nfs/dbraw/zinc/70/33/73/1329703373.db2.gz GOHARMPKCGJMCH-DQCOHUIHSA-N 2 1 333.520 2.795 10 30 EFEEMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)C2 ZINC001325642478 1329703374 /nfs/dbraw/zinc/70/33/74/1329703374.db2.gz GOHARMPKCGJMCH-DQCOHUIHSA-N 2 1 333.520 2.795 10 30 EFEEMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)C2 ZINC001325642478 1329703376 /nfs/dbraw/zinc/70/33/76/1329703376.db2.gz GOHARMPKCGJMCH-DQCOHUIHSA-N 2 1 333.520 2.795 10 30 EFEEMP C=CCCCCC[NH+]1C[C@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001325740863 1329710018 /nfs/dbraw/zinc/71/00/18/1329710018.db2.gz PWKDNAWFAUSSBR-HSALFYBXSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001325740863 1329710020 /nfs/dbraw/zinc/71/00/20/1329710020.db2.gz PWKDNAWFAUSSBR-HSALFYBXSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001325740863 1329710022 /nfs/dbraw/zinc/71/00/22/1329710022.db2.gz PWKDNAWFAUSSBR-HSALFYBXSA-N 2 1 347.547 2.997 10 30 EFEEMP CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001325753814 1329710919 /nfs/dbraw/zinc/71/09/19/1329710919.db2.gz MLFJPJAHYOAZGC-CEXWTWQISA-N 2 1 335.536 2.831 10 30 EFEEMP CCCCCCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]2C1 ZINC001325753814 1329710920 /nfs/dbraw/zinc/71/09/20/1329710920.db2.gz MLFJPJAHYOAZGC-CEXWTWQISA-N 2 1 335.536 2.831 10 30 EFEEMP CCCCCCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@H]2C1 ZINC001325753814 1329710921 /nfs/dbraw/zinc/71/09/21/1329710921.db2.gz MLFJPJAHYOAZGC-CEXWTWQISA-N 2 1 335.536 2.831 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](F)C[NH+](CC)CC ZINC001325900935 1329722811 /nfs/dbraw/zinc/72/28/11/1329722811.db2.gz UJCFDUYCNFAMRO-KZNAEPCWSA-N 2 1 339.499 2.698 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001325916383 1329723868 /nfs/dbraw/zinc/72/38/68/1329723868.db2.gz IMAPASZTIYQTDJ-MOPGFXCFSA-N 2 1 333.520 2.894 10 30 EFEEMP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001326411907 1329754449 /nfs/dbraw/zinc/75/44/49/1329754449.db2.gz OQEKKKJCYNHZAA-HKUYNNGSSA-N 2 1 329.488 2.694 10 30 EFEEMP C=CC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001326458950 1329758683 /nfs/dbraw/zinc/75/86/83/1329758683.db2.gz UCUBYNVYWDWQNC-IRXDYDNUSA-N 2 1 329.488 2.651 10 30 EFEEMP C=CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001326458950 1329758685 /nfs/dbraw/zinc/75/86/85/1329758685.db2.gz UCUBYNVYWDWQNC-IRXDYDNUSA-N 2 1 329.488 2.651 10 30 EFEEMP C=CC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001326458950 1329758686 /nfs/dbraw/zinc/75/86/86/1329758686.db2.gz UCUBYNVYWDWQNC-IRXDYDNUSA-N 2 1 329.488 2.651 10 30 EFEEMP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC001326467031 1329758889 /nfs/dbraw/zinc/75/88/89/1329758889.db2.gz DWPWGXBXLXXBPL-PXNSSMCTSA-N 2 1 341.499 2.707 10 30 EFEEMP CC[C@H](C(=O)N(CC[N@@H+](C)Cc1ccc(C#N)cc1)C(C)C)[NH+](C)C ZINC001382506838 1348973890 /nfs/dbraw/zinc/97/38/90/1348973890.db2.gz PJLJYPSNVPEDKY-LJQANCHMSA-N 2 1 344.503 2.567 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001326585511 1330321578 /nfs/dbraw/zinc/32/15/78/1330321578.db2.gz HJEAUKYSOBXBRJ-MSOLQXFVSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCCn2ccnc2)C1 ZINC001327307907 1330456414 /nfs/dbraw/zinc/45/64/14/1330456414.db2.gz HCTVJHMFWMJAOE-MOPGFXCFSA-N 2 1 344.503 2.942 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CC/C=C\CC)CC1 ZINC001327456243 1330481456 /nfs/dbraw/zinc/48/14/56/1330481456.db2.gz YRFMSQCFIUEEBQ-FQQSSWHASA-N 2 1 345.531 2.801 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CC/C=C\CC)CC1 ZINC001327456243 1330481461 /nfs/dbraw/zinc/48/14/61/1330481461.db2.gz YRFMSQCFIUEEBQ-FQQSSWHASA-N 2 1 345.531 2.801 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001327528882 1330495544 /nfs/dbraw/zinc/49/55/44/1330495544.db2.gz DCPSXJFHGLYSDB-YLJYHZDGSA-N 2 1 344.503 2.861 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001327528882 1330495545 /nfs/dbraw/zinc/49/55/45/1330495545.db2.gz DCPSXJFHGLYSDB-YLJYHZDGSA-N 2 1 344.503 2.861 10 30 EFEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C(C)(C)C1 ZINC001328079657 1330551175 /nfs/dbraw/zinc/55/11/75/1330551175.db2.gz DMJQQNOHLOBTGI-GOSISDBHSA-N 2 1 347.547 2.879 10 30 EFEEMP CC#CC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C(C)(C)C1 ZINC001328079657 1330551177 /nfs/dbraw/zinc/55/11/77/1330551177.db2.gz DMJQQNOHLOBTGI-GOSISDBHSA-N 2 1 347.547 2.879 10 30 EFEEMP CC#CC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C(C)(C)C1 ZINC001328079657 1330551180 /nfs/dbraw/zinc/55/11/80/1330551180.db2.gz DMJQQNOHLOBTGI-GOSISDBHSA-N 2 1 347.547 2.879 10 30 EFEEMP C#CCC[N@H+](CC)CC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001328586854 1330605597 /nfs/dbraw/zinc/60/55/97/1330605597.db2.gz GVLXONWKVLGFBO-UHFFFAOYSA-N 2 1 347.547 2.691 10 30 EFEEMP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001328737770 1330623906 /nfs/dbraw/zinc/62/39/06/1330623906.db2.gz QFAVOBIXZQGYSB-IRXDYDNUSA-N 2 1 332.492 2.896 10 30 EFEEMP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001328737770 1330623907 /nfs/dbraw/zinc/62/39/07/1330623907.db2.gz QFAVOBIXZQGYSB-IRXDYDNUSA-N 2 1 332.492 2.896 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC/C=C/CC)CC1 ZINC001329230570 1330683277 /nfs/dbraw/zinc/68/32/77/1330683277.db2.gz JCPHZWPQONXELC-HPEWHVDNSA-N 2 1 345.531 2.800 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC/C=C/CC)CC1 ZINC001329230570 1330683281 /nfs/dbraw/zinc/68/32/81/1330683281.db2.gz JCPHZWPQONXELC-HPEWHVDNSA-N 2 1 345.531 2.800 10 30 EFEEMP C=CC[NH2+]C1CCC(N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001329256643 1330686906 /nfs/dbraw/zinc/68/69/06/1330686906.db2.gz IZDGEHICORUUTH-CTWPCTMYSA-N 2 1 329.488 2.835 10 30 EFEEMP CC#CC[NH2+]CCC[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001331177434 1330802945 /nfs/dbraw/zinc/80/29/45/1330802945.db2.gz UOZMAWTUJFRSKJ-WOJBJXKFSA-N 2 1 341.499 2.721 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001331318311 1330821321 /nfs/dbraw/zinc/82/13/21/1330821321.db2.gz KHTQRNSDJPRJKL-IEBWSBKVSA-N 2 1 344.503 2.547 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001332121138 1330924355 /nfs/dbraw/zinc/92/43/55/1330924355.db2.gz XLGMGAGFFGEYAV-WBVHZDCISA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001332121138 1330924353 /nfs/dbraw/zinc/92/43/53/1330924353.db2.gz XLGMGAGFFGEYAV-WBVHZDCISA-N 2 1 327.900 2.584 10 30 EFEEMP C=CCC[C@H](C)[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001333119376 1331080979 /nfs/dbraw/zinc/08/09/79/1331080979.db2.gz IUKPCLASLWMBQK-GTPINHCMSA-N 2 1 332.492 2.940 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001333456367 1331147961 /nfs/dbraw/zinc/14/79/61/1331147961.db2.gz CCRPEJMXIWWXOV-MJGOQNOKSA-N 2 1 333.520 2.964 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001333456369 1331148130 /nfs/dbraw/zinc/14/81/30/1331148130.db2.gz CCRPEJMXIWWXOV-PKOBYXMFSA-N 2 1 333.520 2.964 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](CC/C=C/CC)C2)CC1 ZINC001480272689 1333516880 /nfs/dbraw/zinc/51/68/80/1333516880.db2.gz YAMPXVSSUYSYHL-ZMBJWTFHSA-N 2 1 345.531 2.516 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](CCCCCC)C2)CC1 ZINC001480272733 1333516984 /nfs/dbraw/zinc/51/69/84/1333516984.db2.gz ZBAIXQLADFRCRF-LJQANCHMSA-N 2 1 347.547 2.740 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](CCCCCC)C2)CC1 ZINC001480272732 1333517006 /nfs/dbraw/zinc/51/70/06/1333517006.db2.gz ZBAIXQLADFRCRF-IBGZPJMESA-N 2 1 347.547 2.740 10 30 EFEEMP COc1ccc(C#N)cc1CN1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001363321292 1336874129 /nfs/dbraw/zinc/87/41/29/1336874129.db2.gz ZQIIXUWUNNQIGQ-BGYRXZFFSA-N 2 1 325.456 2.875 10 30 EFEEMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001480741831 1337970464 /nfs/dbraw/zinc/97/04/64/1337970464.db2.gz BNJDAMVAZHKERZ-OALUTQOASA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001366830820 1338084343 /nfs/dbraw/zinc/08/43/43/1338084343.db2.gz ANBWZTKOOWUQMC-IAGOWNOFSA-N 2 1 341.927 2.689 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001366830820 1338084347 /nfs/dbraw/zinc/08/43/47/1338084347.db2.gz ANBWZTKOOWUQMC-IAGOWNOFSA-N 2 1 341.927 2.689 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001366830820 1338084351 /nfs/dbraw/zinc/08/43/51/1338084351.db2.gz ANBWZTKOOWUQMC-IAGOWNOFSA-N 2 1 341.927 2.689 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001366841668 1338102162 /nfs/dbraw/zinc/10/21/62/1338102162.db2.gz MABAWIJBCOXTSZ-DLBZAZTESA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CCCC1 ZINC001367321179 1338618347 /nfs/dbraw/zinc/61/83/47/1338618347.db2.gz DFLMVHCCGSYGAD-HOTGVXAUSA-N 2 1 339.911 2.774 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001368127036 1339205589 /nfs/dbraw/zinc/20/55/89/1339205589.db2.gz VYEKASKFPQMZOO-CVEARBPZSA-N 2 1 327.900 2.582 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001368417111 1339350330 /nfs/dbraw/zinc/35/03/30/1339350330.db2.gz WDNBBASKIRNHIJ-PBHICJAKSA-N 2 1 335.879 2.658 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001370778130 1340205204 /nfs/dbraw/zinc/20/52/04/1340205204.db2.gz QQYVSTUFMIBORJ-IAGOWNOFSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001370778130 1340205206 /nfs/dbraw/zinc/20/52/06/1340205206.db2.gz QQYVSTUFMIBORJ-IAGOWNOFSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[NH2+]C1(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CCCC1 ZINC001374178958 1341518811 /nfs/dbraw/zinc/51/88/11/1341518811.db2.gz HKCLUNRSGVXNEN-GASCZTMLSA-N 2 1 327.900 2.630 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001375746413 1342972414 /nfs/dbraw/zinc/97/24/14/1342972414.db2.gz DKALDNFMCGCPPR-GJZGRUSLSA-N 2 1 338.883 2.730 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001375746244 1342972509 /nfs/dbraw/zinc/97/25/09/1342972509.db2.gz DKALDNFMCGCPPR-CABCVRRESA-N 2 1 338.883 2.730 10 30 EFEEMP C=C(Cl)CN(C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001377637491 1344246732 /nfs/dbraw/zinc/24/67/32/1344246732.db2.gz FJNJVQHBCMHUDT-IAGOWNOFSA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001377637491 1344246737 /nfs/dbraw/zinc/24/67/37/1344246737.db2.gz FJNJVQHBCMHUDT-IAGOWNOFSA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001377637491 1344246741 /nfs/dbraw/zinc/24/67/41/1344246741.db2.gz FJNJVQHBCMHUDT-IAGOWNOFSA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001377637491 1344246745 /nfs/dbraw/zinc/24/67/45/1344246745.db2.gz FJNJVQHBCMHUDT-IAGOWNOFSA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001377637491 1344246750 /nfs/dbraw/zinc/24/67/50/1344246750.db2.gz FJNJVQHBCMHUDT-IAGOWNOFSA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001377764642 1344415206 /nfs/dbraw/zinc/41/52/06/1344415206.db2.gz JFQVGPBNUGXFFW-IRXDYDNUSA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001377764642 1344415209 /nfs/dbraw/zinc/41/52/09/1344415209.db2.gz JFQVGPBNUGXFFW-IRXDYDNUSA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001377764642 1344415211 /nfs/dbraw/zinc/41/52/11/1344415211.db2.gz JFQVGPBNUGXFFW-IRXDYDNUSA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1CC ZINC001380663066 1347797910 /nfs/dbraw/zinc/79/79/10/1347797910.db2.gz AIXSRYDQRULBFN-SJLPKXTDSA-N 2 1 349.906 2.700 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1CC ZINC001380663066 1347797915 /nfs/dbraw/zinc/79/79/15/1347797915.db2.gz AIXSRYDQRULBFN-SJLPKXTDSA-N 2 1 349.906 2.700 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1CC ZINC001380663073 1347798244 /nfs/dbraw/zinc/79/82/44/1347798244.db2.gz AIXSRYDQRULBFN-WMZOPIPTSA-N 2 1 349.906 2.700 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1CC ZINC001380663073 1347798246 /nfs/dbraw/zinc/79/82/46/1347798246.db2.gz AIXSRYDQRULBFN-WMZOPIPTSA-N 2 1 349.906 2.700 10 30 EFEEMP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001394008939 1357381687 /nfs/dbraw/zinc/38/16/87/1357381687.db2.gz MTZHUWSNPQJMHF-CGZBRXJRSA-N 2 1 341.927 2.973 10 30 EFEEMP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001381125406 1348093254 /nfs/dbraw/zinc/09/32/54/1348093254.db2.gz DCASIBNCBXXFJN-JKSUJKDBSA-N 2 1 339.911 2.727 10 30 EFEEMP CC(C)N(CC[N@@H+](C)Cc1cccc(C#N)c1)C(=O)C[NH+](C)C(C)C ZINC001382502799 1348967659 /nfs/dbraw/zinc/96/76/59/1348967659.db2.gz AVMFVCCLIUBPAA-UHFFFAOYSA-N 2 1 344.503 2.567 10 30 EFEEMP CC(C)N(CC[NH+](C)Cc1cccc(C#N)c1)C(=O)C[N@H+](C)C(C)C ZINC001382502799 1348967664 /nfs/dbraw/zinc/96/76/64/1348967664.db2.gz AVMFVCCLIUBPAA-UHFFFAOYSA-N 2 1 344.503 2.567 10 30 EFEEMP CC(C)N(CC[NH+](C)Cc1cccc(C#N)c1)C(=O)C[N@@H+](C)C(C)C ZINC001382502799 1348967666 /nfs/dbraw/zinc/96/76/66/1348967666.db2.gz AVMFVCCLIUBPAA-UHFFFAOYSA-N 2 1 344.503 2.567 10 30 EFEEMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001382582703 1349032105 /nfs/dbraw/zinc/03/21/05/1349032105.db2.gz ATHBHUGHAPEDMD-JCYILVPMSA-N 2 1 335.879 2.621 10 30 EFEEMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001382582706 1349032246 /nfs/dbraw/zinc/03/22/46/1349032246.db2.gz ATHBHUGHAPEDMD-OFLPRAFFSA-N 2 1 335.879 2.621 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCCC[N@H+]1C)C(C)C ZINC001394170718 1357543679 /nfs/dbraw/zinc/54/36/79/1357543679.db2.gz HFZWSZOLJWQVMH-JKSUJKDBSA-N 2 1 329.916 2.686 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001388765314 1352989468 /nfs/dbraw/zinc/98/94/68/1352989468.db2.gz HGVXHWWYTNPJRI-IWCQGFGOSA-N 2 1 341.927 2.686 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC(C)(C)C1 ZINC001388839189 1353079064 /nfs/dbraw/zinc/07/90/64/1353079064.db2.gz NWSPTUPIOGGIGA-HZPDHXFCSA-N 2 1 343.943 2.932 10 30 EFEEMP C=C(Cl)C[N@@H+](CCC)CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001391127925 1354836843 /nfs/dbraw/zinc/83/68/43/1354836843.db2.gz GKLJAUUIKUBHKT-CVEARBPZSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)C[NH+](CCC)CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001391127925 1354836845 /nfs/dbraw/zinc/83/68/45/1354836845.db2.gz GKLJAUUIKUBHKT-CVEARBPZSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)C[NH+](CCC)CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001391127925 1354836863 /nfs/dbraw/zinc/83/68/63/1354836863.db2.gz GKLJAUUIKUBHKT-CVEARBPZSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)C[N@H+](CCC)CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001391127925 1354836841 /nfs/dbraw/zinc/83/68/41/1354836841.db2.gz GKLJAUUIKUBHKT-CVEARBPZSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC001392247672 1355904938 /nfs/dbraw/zinc/90/49/38/1355904938.db2.gz DVEVYLKFLICFKJ-DLBZAZTESA-N 2 1 337.895 2.772 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001398469590 1360585472 /nfs/dbraw/zinc/58/54/72/1360585472.db2.gz WUNSTHXDRMLHMD-SJORKVTESA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001398469590 1360585480 /nfs/dbraw/zinc/58/54/80/1360585480.db2.gz WUNSTHXDRMLHMD-SJORKVTESA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001400150743 1361786671 /nfs/dbraw/zinc/78/66/71/1361786671.db2.gz CFTKGKGKHDZKAC-IAGOWNOFSA-N 2 1 341.927 2.688 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001400150743 1361786674 /nfs/dbraw/zinc/78/66/74/1361786674.db2.gz CFTKGKGKHDZKAC-IAGOWNOFSA-N 2 1 341.927 2.688 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001400150743 1361786676 /nfs/dbraw/zinc/78/66/76/1361786676.db2.gz CFTKGKGKHDZKAC-IAGOWNOFSA-N 2 1 341.927 2.688 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)CCC ZINC001402476949 1363721227 /nfs/dbraw/zinc/72/12/27/1363721227.db2.gz NZUJPTFOSWRACX-CVEARBPZSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[N@H+](C)CCC ZINC001402476949 1363721228 /nfs/dbraw/zinc/72/12/28/1363721228.db2.gz NZUJPTFOSWRACX-CVEARBPZSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)CCC ZINC001402476949 1363721230 /nfs/dbraw/zinc/72/12/30/1363721230.db2.gz NZUJPTFOSWRACX-CVEARBPZSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)CCC ZINC001402476949 1363721232 /nfs/dbraw/zinc/72/12/32/1363721232.db2.gz NZUJPTFOSWRACX-CVEARBPZSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001402526966 1363760929 /nfs/dbraw/zinc/76/09/29/1363760929.db2.gz LECBLCBLGRMWOJ-JKSUJKDBSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001402681953 1363930924 /nfs/dbraw/zinc/93/09/24/1363930924.db2.gz OGQCVCKPMXIJJG-IRXDYDNUSA-N 2 1 341.927 2.641 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001402918155 1364134000 /nfs/dbraw/zinc/13/40/00/1364134000.db2.gz BHMJMTRZSGGDCE-IAGOWNOFSA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001402918155 1364134004 /nfs/dbraw/zinc/13/40/04/1364134004.db2.gz BHMJMTRZSGGDCE-IAGOWNOFSA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001403525548 1364731132 /nfs/dbraw/zinc/73/11/32/1364731132.db2.gz LCUILOAMMCYUPW-IAGOWNOFSA-N 2 1 341.927 2.828 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC001403807249 1364962036 /nfs/dbraw/zinc/96/20/36/1364962036.db2.gz TWFJDTSRTPVYJA-MSOLQXFVSA-N 2 1 349.906 2.540 10 30 EFEEMP C=C(Cl)CN(CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C1CC1 ZINC001404262226 1365408983 /nfs/dbraw/zinc/40/89/83/1365408983.db2.gz VONOGBIIGZSWEU-UHFFFAOYSA-N 2 1 341.927 2.973 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1ccccc1 ZINC001404369575 1365478163 /nfs/dbraw/zinc/47/81/63/1365478163.db2.gz FNANHDNBBZKSLF-RCCFBDPRSA-N 2 1 349.906 2.916 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1ccccc1 ZINC001404369575 1365478168 /nfs/dbraw/zinc/47/81/68/1365478168.db2.gz FNANHDNBBZKSLF-RCCFBDPRSA-N 2 1 349.906 2.916 10 30 EFEEMP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001408004623 1369518537 /nfs/dbraw/zinc/51/85/37/1369518537.db2.gz XVUXMNZSFPBIOV-INIZCTEOSA-N 2 1 341.927 2.973 10 30 EFEEMP C=C(Cl)C[N@H+](CCC)CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001437763495 1388035421 /nfs/dbraw/zinc/03/54/21/1388035421.db2.gz YSKVGPYYZCIASN-QGZVFWFLSA-N 2 1 347.906 2.780 10 30 EFEEMP C=C(Cl)C[N@@H+](CCC)CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001437763495 1388035432 /nfs/dbraw/zinc/03/54/32/1388035432.db2.gz YSKVGPYYZCIASN-QGZVFWFLSA-N 2 1 347.906 2.780 10 30 EFEEMP C=C(Cl)C[NH+](CCC)CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001437763495 1388035440 /nfs/dbraw/zinc/03/54/40/1388035440.db2.gz YSKVGPYYZCIASN-QGZVFWFLSA-N 2 1 347.906 2.780 10 30 EFEEMP C=C(Cl)C[NH+](CCC)CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001437763495 1388035448 /nfs/dbraw/zinc/03/54/48/1388035448.db2.gz YSKVGPYYZCIASN-QGZVFWFLSA-N 2 1 347.906 2.780 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001502126451 1404021604 /nfs/dbraw/zinc/02/16/04/1404021604.db2.gz YKAYPWIJIPCGCV-HZPDHXFCSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001502126451 1404021609 /nfs/dbraw/zinc/02/16/09/1404021609.db2.gz YKAYPWIJIPCGCV-HZPDHXFCSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001437958882 1388275974 /nfs/dbraw/zinc/27/59/74/1388275974.db2.gz ONXNGGZBHYWOMS-FUHWJXTLSA-N 2 1 349.906 2.870 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001437958882 1388275976 /nfs/dbraw/zinc/27/59/76/1388275976.db2.gz ONXNGGZBHYWOMS-FUHWJXTLSA-N 2 1 349.906 2.870 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001419578857 1375474541 /nfs/dbraw/zinc/47/45/41/1375474541.db2.gz KDVHQKXOCYUJGZ-SJORKVTESA-N 2 1 341.927 2.689 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001421010413 1378016806 /nfs/dbraw/zinc/01/68/06/1378016806.db2.gz ZFEMYTOVIMHGNE-SJORKVTESA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001421652111 1378949205 /nfs/dbraw/zinc/94/92/05/1378949205.db2.gz UKFNZUIYGHLKCO-IAGOWNOFSA-N 2 1 335.879 2.622 10 30 EFEEMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001421894975 1379316970 /nfs/dbraw/zinc/31/69/70/1379316970.db2.gz WXGUOXKTMARNIL-HOTGVXAUSA-N 2 1 329.916 2.640 10 30 EFEEMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001421894975 1379316975 /nfs/dbraw/zinc/31/69/75/1379316975.db2.gz WXGUOXKTMARNIL-HOTGVXAUSA-N 2 1 329.916 2.640 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001423486472 1381979184 /nfs/dbraw/zinc/97/91/84/1381979184.db2.gz RFZOAXFUUWILMB-YOEHRIQHSA-N 2 1 345.890 2.532 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001424278617 1382916789 /nfs/dbraw/zinc/91/67/89/1382916789.db2.gz KUXILARRDWBRII-DLBZAZTESA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)CC[C@H]3CCC[N@H+]3C)CCC[C@H]12 ZINC001425908663 1383846461 /nfs/dbraw/zinc/84/64/61/1383846461.db2.gz NIUZDYRGNRVZDK-SOLBZPMBSA-N 2 1 339.911 2.727 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)CC[C@H]3CCC[N@@H+]3C)CCC[C@H]12 ZINC001425908663 1383846467 /nfs/dbraw/zinc/84/64/67/1383846467.db2.gz NIUZDYRGNRVZDK-SOLBZPMBSA-N 2 1 339.911 2.727 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@H]12 ZINC001425908663 1383846471 /nfs/dbraw/zinc/84/64/71/1383846471.db2.gz NIUZDYRGNRVZDK-SOLBZPMBSA-N 2 1 339.911 2.727 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@H]12 ZINC001425908663 1383846478 /nfs/dbraw/zinc/84/64/78/1383846478.db2.gz NIUZDYRGNRVZDK-SOLBZPMBSA-N 2 1 339.911 2.727 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C(C)(C)C ZINC001426134131 1384016659 /nfs/dbraw/zinc/01/66/59/1384016659.db2.gz INWQFNNJSMQURB-HOTGVXAUSA-N 2 1 343.943 2.980 10 30 EFEEMP C=CC[NH+]1C[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C(C)(C)C1 ZINC001506749517 1406247546 /nfs/dbraw/zinc/24/75/46/1406247546.db2.gz GGABCEFTELYVIK-ZWKOTPCHSA-N 2 1 329.488 2.692 10 30 EFEEMP C=CC[NH+]1C[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C(C)(C)C1 ZINC001506749517 1406247554 /nfs/dbraw/zinc/24/75/54/1406247554.db2.gz GGABCEFTELYVIK-ZWKOTPCHSA-N 2 1 329.488 2.692 10 30 EFEEMP C=CC[N@H+]1C[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C(C)(C)C1 ZINC001506749517 1406247561 /nfs/dbraw/zinc/24/75/61/1406247561.db2.gz GGABCEFTELYVIK-ZWKOTPCHSA-N 2 1 329.488 2.692 10 30 EFEEMP C=CC[N@@H+]1C[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C(C)(C)C1 ZINC001506749517 1406247568 /nfs/dbraw/zinc/24/75/68/1406247568.db2.gz GGABCEFTELYVIK-ZWKOTPCHSA-N 2 1 329.488 2.692 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001506796259 1406284870 /nfs/dbraw/zinc/28/48/70/1406284870.db2.gz QNOURAAHCTWOIK-CADBVGFASA-N 2 1 345.531 2.511 10 30 EFEEMP C[N@H+]1C[C@]23C[NH+](CCCC4(C#N)CCOCC4)C[C@@]2(C1)CCCC3 ZINC001434495574 1387180109 /nfs/dbraw/zinc/18/01/09/1387180109.db2.gz YBFZYTFEMIONSO-BGYRXZFFSA-N 2 1 331.504 2.895 10 30 EFEEMP C[NH+]1C[C@]23C[N@H+](CCCC4(C#N)CCOCC4)C[C@@]2(C1)CCCC3 ZINC001434495574 1387180112 /nfs/dbraw/zinc/18/01/12/1387180112.db2.gz YBFZYTFEMIONSO-BGYRXZFFSA-N 2 1 331.504 2.895 10 30 EFEEMP C[NH+]1C[C@]23C[N@@H+](CCCC4(C#N)CCOCC4)C[C@@]2(C1)CCCC3 ZINC001434495574 1387180113 /nfs/dbraw/zinc/18/01/13/1387180113.db2.gz YBFZYTFEMIONSO-BGYRXZFFSA-N 2 1 331.504 2.895 10 30 EFEEMP C=C(Cl)CN(C)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001440219913 1389449586 /nfs/dbraw/zinc/44/95/86/1389449586.db2.gz RQUVDVRPFQPNIU-GOSISDBHSA-N 2 1 349.906 2.971 10 30 EFEEMP C=C(Cl)CN(C)Cc1ccccc1CNC(=O)[C@H]1CCCCN1C ZINC001440219913 1389449588 /nfs/dbraw/zinc/44/95/88/1389449588.db2.gz RQUVDVRPFQPNIU-GOSISDBHSA-N 2 1 349.906 2.971 10 30 EFEEMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001440290980 1389508796 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ZINC001566694230 1415735354 /nfs/dbraw/zinc/73/53/54/1415735354.db2.gz CEOHUDKAQSCHMT-MSOLQXFVSA-N 2 1 335.536 2.879 10 30 EFEEMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C1CC1 ZINC001566719468 1415745171 /nfs/dbraw/zinc/74/51/71/1415745171.db2.gz LJNZPRLKOSZOEO-OALUTQOASA-N 2 1 333.520 2.844 10 30 EFEEMP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C1CC1 ZINC001566719466 1415745289 /nfs/dbraw/zinc/74/52/89/1415745289.db2.gz LJNZPRLKOSZOEO-MOPGFXCFSA-N 2 1 333.520 2.844 10 30 EFEEMP C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001566742556 1415756613 /nfs/dbraw/zinc/75/66/13/1415756613.db2.gz YIRMLPWUCQBVGO-GOSISDBHSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001566746305 1415759344 /nfs/dbraw/zinc/75/93/44/1415759344.db2.gz FQPVOQLABOQHMJ-FQEVSTJZSA-N 2 1 343.515 2.865 10 30 EFEEMP C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001566746305 1415759347 /nfs/dbraw/zinc/75/93/47/1415759347.db2.gz 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AGKATKOXKIHRCJ-UXHICEINSA-N 2 1 347.547 2.786 10 30 EFEEMP C=CC[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)C1CCCCC1 ZINC001568346428 1416485674 /nfs/dbraw/zinc/48/56/74/1416485674.db2.gz HNYVLJUWKSOBGW-QGZVFWFLSA-N 2 1 332.492 2.847 10 30 EFEEMP C=C(Cl)C[NH2+]CC[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001568387173 1416507235 /nfs/dbraw/zinc/50/72/35/1416507235.db2.gz RDZBLDYCIJVCKB-DLBZAZTESA-N 2 1 341.927 2.974 10 30 EFEEMP C=C(Cl)C[NH2+]CC[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001568387174 1416507398 /nfs/dbraw/zinc/50/73/98/1416507398.db2.gz RDZBLDYCIJVCKB-IAGOWNOFSA-N 2 1 341.927 2.974 10 30 EFEEMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)c3ccccc3CC[NH+](C)C)C2)C1 ZINC001686266745 1416794059 /nfs/dbraw/zinc/79/40/59/1416794059.db2.gz HBEPOMHZNVHVST-UHFFFAOYSA-N 2 1 341.499 2.515 10 30 EFEEMP C=CCC[C@@H](C)[N@H+](C)CCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001689840865 1417085218 /nfs/dbraw/zinc/08/52/18/1417085218.db2.gz PEXXRFJIAQYTNJ-WBVHZDCISA-N 2 1 332.492 2.547 10 30 EFEEMP 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IETCJOMIFDXTGQ-RTBURBONSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1C ZINC001699681087 1417448927 /nfs/dbraw/zinc/44/89/27/1417448927.db2.gz JQUSJPCAETZMBE-AYHJJNSGSA-N 2 1 330.476 2.659 10 30 EFEEMP C#CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001699785179 1417468686 /nfs/dbraw/zinc/46/86/86/1417468686.db2.gz GYVUGZXDMMJDGT-RTBURBONSA-N 2 1 345.531 2.609 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCC[NH+](C)C)C2 ZINC001699804654 1417471661 /nfs/dbraw/zinc/47/16/61/1417471661.db2.gz CEFZBXJDCCCHDS-FQEVSTJZSA-N 2 1 335.536 2.999 10 30 EFEEMP C=C(C)CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001699948285 1417519048 /nfs/dbraw/zinc/51/90/48/1417519048.db2.gz NBGVPBDGIAGHOY-AEFFLSMTSA-N 2 1 332.492 2.765 10 30 EFEEMP CC#CC[N@@H+]1CC[C@]2(NC(=O)C[C@H](C)n3cc[nH+]c3CC)CCC[C@H]12 ZINC001700864190 1417666795 /nfs/dbraw/zinc/66/67/95/1417666795.db2.gz DOZXXEAXEQRIER-ABSDTBQOSA-N 2 1 342.487 2.533 10 30 EFEEMP CC#CC[N@H+]1CC[C@]2(NC(=O)C[C@H](C)n3cc[nH+]c3CC)CCC[C@H]12 ZINC001700864190 1417666798 /nfs/dbraw/zinc/66/67/98/1417666798.db2.gz DOZXXEAXEQRIER-ABSDTBQOSA-N 2 1 342.487 2.533 10 30 EFEEMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001713132577 1418335207 /nfs/dbraw/zinc/33/52/07/1418335207.db2.gz BJKKRQMHMAKVMV-UYAOXDASSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001713132577 1418335212 /nfs/dbraw/zinc/33/52/12/1418335212.db2.gz BJKKRQMHMAKVMV-UYAOXDASSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001713132577 1418335218 /nfs/dbraw/zinc/33/52/18/1418335218.db2.gz BJKKRQMHMAKVMV-UYAOXDASSA-N 2 1 345.531 2.587 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001713269475 1418436239 /nfs/dbraw/zinc/43/62/39/1418436239.db2.gz DRUUQOMTNWQTNE-QZTJIDSGSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCCC[NH2+]C1CCC(NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001713290008 1418456553 /nfs/dbraw/zinc/45/65/53/1418456553.db2.gz DMTOZEVSRMERNW-UHFFFAOYSA-N 2 1 332.492 2.990 10 30 EFEEMP C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001713395227 1418505023 /nfs/dbraw/zinc/50/50/23/1418505023.db2.gz DTEIVXQGINZBHO-MJGOQNOKSA-N 2 1 344.503 2.643 10 30 EFEEMP C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001713395227 1418505027 /nfs/dbraw/zinc/50/50/27/1418505027.db2.gz DTEIVXQGINZBHO-MJGOQNOKSA-N 2 1 344.503 2.643 10 30 EFEEMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001713400892 1418507733 /nfs/dbraw/zinc/50/77/33/1418507733.db2.gz LGHJUPIUJGQFLO-QGZVFWFLSA-N 2 1 341.927 2.928 10 30 EFEEMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001713400892 1418507738 /nfs/dbraw/zinc/50/77/38/1418507738.db2.gz LGHJUPIUJGQFLO-QGZVFWFLSA-N 2 1 341.927 2.928 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@H+](C)CC(CC)CC)C2)CC1 ZINC001713400148 1418508125 /nfs/dbraw/zinc/50/81/25/1418508125.db2.gz BBIUMWJMWGBGGK-HXUWFJFHSA-N 2 1 347.547 2.691 10 30 EFEEMP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001713432975 1418526933 /nfs/dbraw/zinc/52/69/33/1418526933.db2.gz PEFISNDJMDRTAH-HKUYNNGSSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001713432975 1418526937 /nfs/dbraw/zinc/52/69/37/1418526937.db2.gz PEFISNDJMDRTAH-HKUYNNGSSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001713432975 1418526945 /nfs/dbraw/zinc/52/69/45/1418526945.db2.gz PEFISNDJMDRTAH-HKUYNNGSSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001713432976 1418526955 /nfs/dbraw/zinc/52/69/55/1418526955.db2.gz PEFISNDJMDRTAH-IEBWSBKVSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001713432976 1418526960 /nfs/dbraw/zinc/52/69/60/1418526960.db2.gz PEFISNDJMDRTAH-IEBWSBKVSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001713432976 1418526965 /nfs/dbraw/zinc/52/69/65/1418526965.db2.gz PEFISNDJMDRTAH-IEBWSBKVSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)cc1 ZINC001714321747 1418600984 /nfs/dbraw/zinc/60/09/84/1418600984.db2.gz ATPQAHVXLRBPLM-OALUTQOASA-N 2 1 327.472 2.595 10 30 EFEEMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)C[N@@H+](C)Cc1ccccc1)CC2 ZINC001715316069 1418663179 /nfs/dbraw/zinc/66/31/79/1418663179.db2.gz HFWPSIXSLKWQQC-UHFFFAOYSA-N 2 1 341.499 2.619 10 30 EFEEMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)C[N@H+](C)Cc1ccccc1)CC2 ZINC001715316069 1418663182 /nfs/dbraw/zinc/66/31/82/1418663182.db2.gz HFWPSIXSLKWQQC-UHFFFAOYSA-N 2 1 341.499 2.619 10 30 EFEEMP C=CCC[C@H](C)[NH2+]CC[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001715442203 1418676495 /nfs/dbraw/zinc/67/64/95/1418676495.db2.gz KOXCHLCWOLLXGJ-WMZOPIPTSA-N 2 1 332.492 2.907 10 30 EFEEMP C#CCC[N@H+](C)CCC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001715496878 1418677504 /nfs/dbraw/zinc/67/75/04/1418677504.db2.gz BMVZOMMBSGUWMY-UHFFFAOYSA-N 2 1 347.547 2.691 10 30 EFEEMP C=C(C)CC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001716294124 1418755865 /nfs/dbraw/zinc/75/58/65/1418755865.db2.gz QFCPPKDGNGJMJS-IPLHWJFFSA-N 2 1 333.520 2.869 10 30 EFEEMP CC#CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001716706537 1418965496 /nfs/dbraw/zinc/96/54/96/1418965496.db2.gz QUMOAPIKABLVGG-RBUKOAKNSA-N 2 1 347.547 2.691 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001716725001 1418975798 /nfs/dbraw/zinc/97/57/98/1418975798.db2.gz QLLVBYTWMYRMJB-IBGZPJMESA-N 2 1 333.520 2.609 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCC2(CCN(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001716728490 1418978518 /nfs/dbraw/zinc/97/85/18/1418978518.db2.gz TWEXEUUMQSTGGE-QGZVFWFLSA-N 2 1 344.503 2.861 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001716731479 1418980909 /nfs/dbraw/zinc/98/09/09/1418980909.db2.gz MWVJURFTNZOJJS-AZUAARDMSA-N 2 1 345.531 2.894 10 30 EFEEMP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001716787642 1419008525 /nfs/dbraw/zinc/00/85/25/1419008525.db2.gz GBNKUIRTJHPIJP-RBUKOAKNSA-N 2 1 329.488 2.836 10 30 EFEEMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CCCCCCC)CC1 ZINC001716811882 1419025655 /nfs/dbraw/zinc/02/56/55/1419025655.db2.gz QFKSFCXCLFEPQI-IBGZPJMESA-N 2 1 347.547 2.835 10 30 EFEEMP C#CC[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)c1ccc2ccccc2c1 ZINC001716812886 1419025792 /nfs/dbraw/zinc/02/57/92/1419025792.db2.gz UKDCUQSFGUSYHZ-UTKZUKDTSA-N 2 1 349.478 2.562 10 30 EFEEMP C#CC[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccc2ccccc2c1 ZINC001716812887 1419026117 /nfs/dbraw/zinc/02/61/17/1419026117.db2.gz UKDCUQSFGUSYHZ-UWJYYQICSA-N 2 1 349.478 2.562 10 30 EFEEMP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001716865055 1419063724 /nfs/dbraw/zinc/06/37/24/1419063724.db2.gz PAWQQZYOIHHERJ-QFBILLFUSA-N 2 1 332.492 2.801 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001716869700 1419065834 /nfs/dbraw/zinc/06/58/34/1419065834.db2.gz WBOUXVIETVXRPS-UYAOXDASSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001716903157 1419088573 /nfs/dbraw/zinc/08/85/73/1419088573.db2.gz YHVAXHWACDPVJB-ICSRJNTNSA-N 2 1 329.488 2.694 10 30 EFEEMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001716903157 1419088578 /nfs/dbraw/zinc/08/85/78/1419088578.db2.gz YHVAXHWACDPVJB-ICSRJNTNSA-N 2 1 329.488 2.694 10 30 EFEEMP C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001716912593 1419095172 /nfs/dbraw/zinc/09/51/72/1419095172.db2.gz LAESYJFDQGZNEB-INIZCTEOSA-N 2 1 343.462 2.512 10 30 EFEEMP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1CC ZINC001716954033 1419107992 /nfs/dbraw/zinc/10/79/92/1419107992.db2.gz MQKBEXNIOOUHBR-SZVBFZGTSA-N 2 1 329.488 2.522 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2C1 ZINC001717013953 1419148302 /nfs/dbraw/zinc/14/83/02/1419148302.db2.gz YRPJXMQHXKVVLU-RLLQIKCJSA-N 2 1 347.547 2.852 10 30 EFEEMP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001717101278 1419208651 /nfs/dbraw/zinc/20/86/51/1419208651.db2.gz IZWXYNOHRDJRKC-DLBZAZTESA-N 2 1 341.927 2.830 10 30 EFEEMP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001717106276 1419212139 /nfs/dbraw/zinc/21/21/39/1419212139.db2.gz MFRWGQXHJMDWRT-QUCCMNQESA-N 2 1 341.499 2.531 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001717199693 1419261986 /nfs/dbraw/zinc/26/19/86/1419261986.db2.gz RJPKHSPCAJYIHI-FQEVSTJZSA-N 2 1 343.515 2.708 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CCc2ccccc2)CC1 ZINC001717199693 1419261989 /nfs/dbraw/zinc/26/19/89/1419261989.db2.gz RJPKHSPCAJYIHI-FQEVSTJZSA-N 2 1 343.515 2.708 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CCc2ccccc2)CC1 ZINC001717199693 1419261993 /nfs/dbraw/zinc/26/19/93/1419261993.db2.gz RJPKHSPCAJYIHI-FQEVSTJZSA-N 2 1 343.515 2.708 10 30 EFEEMP C=C(C)C[NH2+]C1(CC)CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001717240868 1419282382 /nfs/dbraw/zinc/28/23/82/1419282382.db2.gz OGRGHGUETJHJSL-UHFFFAOYSA-N 2 1 332.492 2.943 10 30 EFEEMP C=C(C)CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)C[N@H+](C)CCC ZINC001717245358 1419288564 /nfs/dbraw/zinc/28/85/64/1419288564.db2.gz RFBABQRRSAHKMV-HXUWFJFHSA-N 2 1 343.515 2.838 10 30 EFEEMP C=C(C)CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001717245358 1419288570 /nfs/dbraw/zinc/28/85/70/1419288570.db2.gz RFBABQRRSAHKMV-HXUWFJFHSA-N 2 1 343.515 2.838 10 30 EFEEMP C=C(C)CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001717245358 1419288574 /nfs/dbraw/zinc/28/85/74/1419288574.db2.gz RFBABQRRSAHKMV-HXUWFJFHSA-N 2 1 343.515 2.838 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@]13CC[NH+](C1)CCC3)C2 ZINC001717247130 1419290610 /nfs/dbraw/zinc/29/06/10/1419290610.db2.gz COQHIYZRMPIJNM-RTWAWAEBSA-N 2 1 345.531 2.753 10 30 EFEEMP C=CCCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@]13CC[N@H+](C1)CCC3)C2 ZINC001717247130 1419290613 /nfs/dbraw/zinc/29/06/13/1419290613.db2.gz COQHIYZRMPIJNM-RTWAWAEBSA-N 2 1 345.531 2.753 10 30 EFEEMP C=CCCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@]13CC[N@@H+](C1)CCC3)C2 ZINC001717247130 1419290616 /nfs/dbraw/zinc/29/06/16/1419290616.db2.gz COQHIYZRMPIJNM-RTWAWAEBSA-N 2 1 345.531 2.753 10 30 EFEEMP C=C(C)CC[NH+]1Cc2ccc(CNC(=O)C[C@@H]3CC[N@H+](C)C3)cc2C1 ZINC001717271108 1419300012 /nfs/dbraw/zinc/30/00/12/1419300012.db2.gz XPGNDNRLQZVBTL-SFHVURJKSA-N 2 1 341.499 2.926 10 30 EFEEMP C=C(C)CC[N@H+]1Cc2ccc(CNC(=O)C[C@@H]3CC[NH+](C)C3)cc2C1 ZINC001717271108 1419300013 /nfs/dbraw/zinc/30/00/13/1419300013.db2.gz XPGNDNRLQZVBTL-SFHVURJKSA-N 2 1 341.499 2.926 10 30 EFEEMP C=C(C)CC[N@@H+]1Cc2ccc(CNC(=O)C[C@@H]3CC[NH+](C)C3)cc2C1 ZINC001717271108 1419300016 /nfs/dbraw/zinc/30/00/16/1419300016.db2.gz XPGNDNRLQZVBTL-SFHVURJKSA-N 2 1 341.499 2.926 10 30 EFEEMP C=CCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001717297692 1419313173 /nfs/dbraw/zinc/31/31/73/1419313173.db2.gz FKUSAOGRBBJROO-ROUUACIJSA-N 2 1 333.520 2.940 10 30 EFEEMP C#CCC[N@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001717309651 1419321203 /nfs/dbraw/zinc/32/12/03/1419321203.db2.gz QMYMGZTZRTYAFE-SJORKVTESA-N 2 1 344.503 2.637 10 30 EFEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001717309651 1419321207 /nfs/dbraw/zinc/32/12/07/1419321207.db2.gz QMYMGZTZRTYAFE-SJORKVTESA-N 2 1 344.503 2.637 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCC=C)CC2(C)C)CC1 ZINC001717313400 1419324986 /nfs/dbraw/zinc/32/49/86/1419324986.db2.gz SSEYSSWCRLKMQZ-LJQANCHMSA-N 2 1 345.531 2.515 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@H](C)c1ccccc1C ZINC001717340926 1419341846 /nfs/dbraw/zinc/34/18/46/1419341846.db2.gz KBIWPHWZLNLCCR-NSHGMRRFSA-N 2 1 341.499 2.638 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@H](C)c1ccccc1C ZINC001717340926 1419341851 /nfs/dbraw/zinc/34/18/51/1419341851.db2.gz KBIWPHWZLNLCCR-NSHGMRRFSA-N 2 1 341.499 2.638 10 30 EFEEMP C=CCCC[NH+]1CCC2(CCN(C(=O)CC[N@H+](C)CC)CC2)CC1 ZINC001717348362 1419347237 /nfs/dbraw/zinc/34/72/37/1419347237.db2.gz DIUZYMGJSVXPFG-UHFFFAOYSA-N 2 1 335.536 2.999 10 30 EFEEMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001717365178 1419358020 /nfs/dbraw/zinc/35/80/20/1419358020.db2.gz JQPVTTCERHECNT-QUCCMNQESA-N 2 1 345.531 2.587 10 30 EFEEMP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001717365178 1419358023 /nfs/dbraw/zinc/35/80/23/1419358023.db2.gz JQPVTTCERHECNT-QUCCMNQESA-N 2 1 345.531 2.587 10 30 EFEEMP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001717365178 1419358027 /nfs/dbraw/zinc/35/80/27/1419358027.db2.gz JQPVTTCERHECNT-QUCCMNQESA-N 2 1 345.531 2.587 10 30 EFEEMP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001717375449 1419367265 /nfs/dbraw/zinc/36/72/65/1419367265.db2.gz YCZLRAALHPKEPE-ZWKOTPCHSA-N 2 1 344.503 2.643 10 30 EFEEMP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001717375449 1419367267 /nfs/dbraw/zinc/36/72/67/1419367267.db2.gz YCZLRAALHPKEPE-ZWKOTPCHSA-N 2 1 344.503 2.643 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001717377284 1419369171 /nfs/dbraw/zinc/36/91/71/1419369171.db2.gz AYTLWYGYBSVYFW-RBUKOAKNSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001717377284 1419369175 /nfs/dbraw/zinc/36/91/75/1419369175.db2.gz AYTLWYGYBSVYFW-RBUKOAKNSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001717377284 1419369176 /nfs/dbraw/zinc/36/91/76/1419369176.db2.gz AYTLWYGYBSVYFW-RBUKOAKNSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)CC[N@H+](C)CC)CC2)C1 ZINC001717377810 1419369184 /nfs/dbraw/zinc/36/91/84/1419369184.db2.gz OREKQXSMACKSCS-IBGZPJMESA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001717377810 1419369187 /nfs/dbraw/zinc/36/91/87/1419369187.db2.gz OREKQXSMACKSCS-IBGZPJMESA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001717377810 1419369188 /nfs/dbraw/zinc/36/91/88/1419369188.db2.gz OREKQXSMACKSCS-IBGZPJMESA-N 2 1 335.536 2.855 10 30 EFEEMP C#CCC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC001717514580 1419422541 /nfs/dbraw/zinc/42/25/41/1419422541.db2.gz UGYZVGMRDXIECL-WOJBJXKFSA-N 2 1 347.547 2.879 10 30 EFEEMP C=C(C)C[NH2+]CC1(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CCCCC1 ZINC001717523760 1419426719 /nfs/dbraw/zinc/42/67/19/1419426719.db2.gz DFWCSGMOVFJQQA-QZTJIDSGSA-N 2 1 333.520 2.988 10 30 EFEEMP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001717541053 1419436110 /nfs/dbraw/zinc/43/61/10/1419436110.db2.gz URLBTMIPBLMEGB-INIZCTEOSA-N 2 1 329.916 2.832 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001717541053 1419436111 /nfs/dbraw/zinc/43/61/11/1419436111.db2.gz URLBTMIPBLMEGB-INIZCTEOSA-N 2 1 329.916 2.832 10 30 EFEEMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC001717584889 1419456902 /nfs/dbraw/zinc/45/69/02/1419456902.db2.gz FTAKUZHBXZQGPI-FUHWJXTLSA-N 2 1 344.503 2.547 10 30 EFEEMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC001717584889 1419456904 /nfs/dbraw/zinc/45/69/04/1419456904.db2.gz FTAKUZHBXZQGPI-FUHWJXTLSA-N 2 1 344.503 2.547 10 30 EFEEMP C=CCC[N@H+]1C[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001717588450 1419459578 /nfs/dbraw/zinc/45/95/78/1419459578.db2.gz AMNKDNKBKLPJDR-ROUUACIJSA-N 2 1 329.488 2.692 10 30 EFEEMP C=CCC[N@@H+]1C[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001717588450 1419459580 /nfs/dbraw/zinc/45/95/80/1419459580.db2.gz AMNKDNKBKLPJDR-ROUUACIJSA-N 2 1 329.488 2.692 10 30 EFEEMP C=CCC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[C@H]2C1 ZINC001717625098 1419474284 /nfs/dbraw/zinc/47/42/84/1419474284.db2.gz WMBQLSOZWDREEH-OKZBNKHCSA-N 2 1 335.536 2.757 10 30 EFEEMP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@H]2C1 ZINC001717625098 1419474286 /nfs/dbraw/zinc/47/42/86/1419474286.db2.gz WMBQLSOZWDREEH-OKZBNKHCSA-N 2 1 335.536 2.757 10 30 EFEEMP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@H]2C1 ZINC001717625098 1419474288 /nfs/dbraw/zinc/47/42/88/1419474288.db2.gz WMBQLSOZWDREEH-OKZBNKHCSA-N 2 1 335.536 2.757 10 30 EFEEMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001717629071 1419477752 /nfs/dbraw/zinc/47/77/52/1419477752.db2.gz JKILMCBCCYPPNG-GOSISDBHSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001717629228 1419477852 /nfs/dbraw/zinc/47/78/52/1419477852.db2.gz NKBQPRWYFXFVQC-IBGZPJMESA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001717629228 1419477854 /nfs/dbraw/zinc/47/78/54/1419477854.db2.gz NKBQPRWYFXFVQC-IBGZPJMESA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001717629228 1419477855 /nfs/dbraw/zinc/47/78/55/1419477855.db2.gz NKBQPRWYFXFVQC-IBGZPJMESA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)CC[NH+]3CCCCC3)C[C@@]2(C)C1 ZINC001717632143 1419480022 /nfs/dbraw/zinc/48/00/22/1419480022.db2.gz AYYXMCNCTMCIIL-OYRHEFFESA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@@]2(C)C1 ZINC001717632923 1419480486 /nfs/dbraw/zinc/48/04/86/1419480486.db2.gz WNXOBJSFVULLEW-NRSPTQNISA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@]2(C)C1 ZINC001717632923 1419480489 /nfs/dbraw/zinc/48/04/89/1419480489.db2.gz WNXOBJSFVULLEW-NRSPTQNISA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@]2(C)C1 ZINC001717632923 1419480491 /nfs/dbraw/zinc/48/04/91/1419480491.db2.gz WNXOBJSFVULLEW-NRSPTQNISA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCC[NH2+]CCC[C@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001717684398 1419504657 /nfs/dbraw/zinc/50/46/57/1419504657.db2.gz LXEBHTALTFUELA-MAUKXSAKSA-N 2 1 327.488 2.650 10 30 EFEEMP C=CCC[NH2+]CCC[C@@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001717684397 1419504893 /nfs/dbraw/zinc/50/48/93/1419504893.db2.gz LXEBHTALTFUELA-CRAIPNDOSA-N 2 1 327.488 2.650 10 30 EFEEMP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001717861092 1419588877 /nfs/dbraw/zinc/58/88/77/1419588877.db2.gz SZHPDEQHNTZLRP-QZTJIDSGSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC001717861094 1419589279 /nfs/dbraw/zinc/58/92/79/1419589279.db2.gz SZHPDEQHNTZLRP-ZWKOTPCHSA-N 2 1 333.520 2.798 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1C(F)(F)F ZINC001717909409 1419615292 /nfs/dbraw/zinc/61/52/92/1419615292.db2.gz RRBDTXKRSBDVOP-GJZGRUSLSA-N 2 1 349.441 2.521 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1C(F)(F)F ZINC001717909408 1419615348 /nfs/dbraw/zinc/61/53/48/1419615348.db2.gz RRBDTXKRSBDVOP-CABCVRRESA-N 2 1 349.441 2.521 10 30 EFEEMP C#CCC[N@H+](C)CCN(C(=O)c1cccc(C[NH+](C)C)c1)C(C)C ZINC001717952630 1419626561 /nfs/dbraw/zinc/62/65/61/1419626561.db2.gz KGFRAGCVEGGANA-UHFFFAOYSA-N 2 1 329.488 2.554 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCCC(C)C)C(C)(C)C ZINC001717959657 1419630036 /nfs/dbraw/zinc/63/00/36/1419630036.db2.gz HESQNODLPCVDNM-ZWKOTPCHSA-N 2 1 335.536 2.641 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCCC(C)C)C(C)(C)C ZINC001717959657 1419630039 /nfs/dbraw/zinc/63/00/39/1419630039.db2.gz HESQNODLPCVDNM-ZWKOTPCHSA-N 2 1 335.536 2.641 10 30 EFEEMP C=CCC[NH2+]C[C@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1)C(C)(C)C ZINC001717970969 1419634940 /nfs/dbraw/zinc/63/49/40/1419634940.db2.gz VUUHTFFYZBOURW-KRWDZBQOSA-N 2 1 341.459 2.578 10 30 EFEEMP C=CCC[NH2+]C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C(C)(C)C ZINC001717973874 1419636331 /nfs/dbraw/zinc/63/63/31/1419636331.db2.gz NAMXHVSPEABRMB-ZWKOTPCHSA-N 2 1 331.504 2.986 10 30 EFEEMP C=CCC[NH2+]C[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C(C)(C)C ZINC001717973871 1419636487 /nfs/dbraw/zinc/63/64/87/1419636487.db2.gz NAMXHVSPEABRMB-MSOLQXFVSA-N 2 1 331.504 2.986 10 30 EFEEMP C#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001722945689 1424378827 /nfs/dbraw/zinc/37/88/27/1424378827.db2.gz QQSPRXCORGABBP-PKOBYXMFSA-N 2 1 333.520 2.539 10 30 EFEEMP C#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001722945687 1424379312 /nfs/dbraw/zinc/37/93/12/1424379312.db2.gz QQSPRXCORGABBP-MJGOQNOKSA-N 2 1 333.520 2.539 10 30 EFEEMP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001723100917 1424423623 /nfs/dbraw/zinc/42/36/23/1424423623.db2.gz ITSPUUVZVUYTME-QGZVFWFLSA-N 2 1 341.927 2.974 10 30 EFEEMP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1CC ZINC001723389716 1424485042 /nfs/dbraw/zinc/48/50/42/1424485042.db2.gz QKDIBTUNDNVCKJ-VQTJNVASSA-N 2 1 343.515 2.911 10 30 EFEEMP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1CC ZINC001723389716 1424485047 /nfs/dbraw/zinc/48/50/47/1424485047.db2.gz QKDIBTUNDNVCKJ-VQTJNVASSA-N 2 1 343.515 2.911 10 30 EFEEMP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1CC ZINC001723390550 1424485318 /nfs/dbraw/zinc/48/53/18/1424485318.db2.gz XGHCRGMREVEGAP-OALUTQOASA-N 2 1 329.488 2.521 10 30 EFEEMP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1CC ZINC001723390550 1424485321 /nfs/dbraw/zinc/48/53/21/1424485321.db2.gz XGHCRGMREVEGAP-OALUTQOASA-N 2 1 329.488 2.521 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001723605587 1424529413 /nfs/dbraw/zinc/52/94/13/1424529413.db2.gz AFVCEKNABRTJKI-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCCn2ccnc2)C1 ZINC001723606557 1424530837 /nfs/dbraw/zinc/53/08/37/1424530837.db2.gz GMPGLWZSAMEKJD-ZWKOTPCHSA-N 2 1 330.476 2.552 10 30 EFEEMP C#CCC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001723608895 1424534514 /nfs/dbraw/zinc/53/45/14/1424534514.db2.gz SQRRVWUMZXSBRD-RBUKOAKNSA-N 2 1 347.547 2.691 10 30 EFEEMP C#CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001723608895 1424534516 /nfs/dbraw/zinc/53/45/16/1424534516.db2.gz SQRRVWUMZXSBRD-RBUKOAKNSA-N 2 1 347.547 2.691 10 30 EFEEMP C#CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001723608895 1424534518 /nfs/dbraw/zinc/53/45/18/1424534518.db2.gz SQRRVWUMZXSBRD-RBUKOAKNSA-N 2 1 347.547 2.691 10 30 EFEEMP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)CC[N@H+](C)CCC)CC2)C1 ZINC001723610263 1424535790 /nfs/dbraw/zinc/53/57/90/1424535790.db2.gz WAAWXQJJLZFCQU-IBGZPJMESA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)CC[NH+](C)CCC)CC2)C1 ZINC001723610263 1424535796 /nfs/dbraw/zinc/53/57/96/1424535796.db2.gz WAAWXQJJLZFCQU-IBGZPJMESA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)CC[NH+](C)CCC)CC2)C1 ZINC001723610263 1424535803 /nfs/dbraw/zinc/53/58/03/1424535803.db2.gz WAAWXQJJLZFCQU-IBGZPJMESA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001723631186 1424540281 /nfs/dbraw/zinc/54/02/81/1424540281.db2.gz FZIRLFSHOKRZEH-MSOLQXFVSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001723647201 1424545438 /nfs/dbraw/zinc/54/54/38/1424545438.db2.gz IMCBRUXPMUGDHD-LJQANCHMSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001723647201 1424545439 /nfs/dbraw/zinc/54/54/39/1424545439.db2.gz IMCBRUXPMUGDHD-LJQANCHMSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001723647201 1424545442 /nfs/dbraw/zinc/54/54/42/1424545442.db2.gz 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ZINC001724626604 1424852528 /nfs/dbraw/zinc/85/25/28/1424852528.db2.gz HVSZLXQXZQRVFU-HSALFYBXSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001724654811 1424889997 /nfs/dbraw/zinc/88/99/97/1424889997.db2.gz JVJTUWJLVHVEAU-ROUUACIJSA-N 2 1 333.520 2.892 10 30 EFEEMP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001724749567 1424978980 /nfs/dbraw/zinc/97/89/80/1424978980.db2.gz NONWXFFOKOQEEG-FXAWDEMLSA-N 2 1 341.499 2.850 10 30 EFEEMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)CC1 ZINC001724760010 1424990591 /nfs/dbraw/zinc/99/05/91/1424990591.db2.gz PCTVYHHWUUJRLF-RTBURBONSA-N 2 1 345.531 2.894 10 30 EFEEMP C=CC[N@H+]1CCc2c(CNC(=O)CC[NH+]3CCCCC3)cccc2C1 ZINC001724776008 1425004091 /nfs/dbraw/zinc/00/40/91/1425004091.db2.gz DXSVBCHGQDNGOQ-UHFFFAOYSA-N 2 1 341.499 2.723 10 30 EFEEMP CC#CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001724837818 1425052518 /nfs/dbraw/zinc/05/25/18/1425052518.db2.gz 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ZINC001724958831 1425166875 /nfs/dbraw/zinc/16/68/75/1425166875.db2.gz LGVOKMDFZDWWDY-UHFFFAOYSA-N 2 1 333.520 2.635 10 30 EFEEMP C=CCCCCC[NH2+]C1(C)CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001724959118 1425166925 /nfs/dbraw/zinc/16/69/25/1425166925.db2.gz YUYPRQWARAXQRL-UHFFFAOYSA-N 2 1 332.492 2.909 10 30 EFEEMP C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001725011667 1425225731 /nfs/dbraw/zinc/22/57/31/1425225731.db2.gz DLRHTMCUDCMKKG-FQEVSTJZSA-N 2 1 341.499 2.764 10 30 EFEEMP C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001725011667 1425225734 /nfs/dbraw/zinc/22/57/34/1425225734.db2.gz DLRHTMCUDCMKKG-FQEVSTJZSA-N 2 1 341.499 2.764 10 30 EFEEMP C=CCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001725025629 1425237096 /nfs/dbraw/zinc/23/70/96/1425237096.db2.gz HVOXYNONMYQXQI-IBGZPJMESA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001725025629 1425237098 /nfs/dbraw/zinc/23/70/98/1425237098.db2.gz HVOXYNONMYQXQI-IBGZPJMESA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001725025629 1425237100 /nfs/dbraw/zinc/23/71/00/1425237100.db2.gz HVOXYNONMYQXQI-IBGZPJMESA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001725025630 1425237178 /nfs/dbraw/zinc/23/71/78/1425237178.db2.gz HVOXYNONMYQXQI-LJQANCHMSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[NH+](CC)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001725025630 1425237181 /nfs/dbraw/zinc/23/71/81/1425237181.db2.gz HVOXYNONMYQXQI-LJQANCHMSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[NH+](CC)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001725025630 1425237187 /nfs/dbraw/zinc/23/71/87/1425237187.db2.gz HVOXYNONMYQXQI-LJQANCHMSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[N@H+](CC)CC1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001725026147 1425237280 /nfs/dbraw/zinc/23/72/80/1425237280.db2.gz IHEROAGVLILAGP-SFHVURJKSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)CC[NH+](CC)CC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001725026147 1425237289 /nfs/dbraw/zinc/23/72/89/1425237289.db2.gz IHEROAGVLILAGP-SFHVURJKSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)CC[NH+](CC)CC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001725026147 1425237296 /nfs/dbraw/zinc/23/72/96/1425237296.db2.gz IHEROAGVLILAGP-SFHVURJKSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001725039682 1425250499 /nfs/dbraw/zinc/25/04/99/1425250499.db2.gz DKODQGBDBPSSJP-HZPDHXFCSA-N 2 1 348.491 2.627 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001725039682 1425250506 /nfs/dbraw/zinc/25/05/06/1425250506.db2.gz DKODQGBDBPSSJP-HZPDHXFCSA-N 2 1 348.491 2.627 10 30 EFEEMP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001725045614 1425258469 /nfs/dbraw/zinc/25/84/69/1425258469.db2.gz YAGPLFAVVNIEAP-SFHVURJKSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001725056244 1425267891 /nfs/dbraw/zinc/26/78/91/1425267891.db2.gz SHNOZHCEGMPEMD-IBGZPJMESA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001725056244 1425267896 /nfs/dbraw/zinc/26/78/96/1425267896.db2.gz SHNOZHCEGMPEMD-IBGZPJMESA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001725056244 1425267902 /nfs/dbraw/zinc/26/79/02/1425267902.db2.gz SHNOZHCEGMPEMD-IBGZPJMESA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001725056344 1425268297 /nfs/dbraw/zinc/26/82/97/1425268297.db2.gz TWNLCPNPYVJNBO-WOJBJXKFSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001725137700 1425327504 /nfs/dbraw/zinc/32/75/04/1425327504.db2.gz IOZAFHSJNJDVLL-WWDZGPRUSA-N 2 1 344.503 2.689 10 30 EFEEMP C=CCC[C@@H](C)[NH2+]C1CCC(N(C)C(=O)Cn2cc[nH+]c2C)CC1 ZINC001725137577 1425327528 /nfs/dbraw/zinc/32/75/28/1425327528.db2.gz UBGLCLDKDMSNJZ-FAEJEUNOSA-N 2 1 332.492 2.905 10 30 EFEEMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001725183704 1425363249 /nfs/dbraw/zinc/36/32/49/1425363249.db2.gz NQZHGKPNJUMHQW-SFHVURJKSA-N 2 1 347.547 2.739 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[C@@H]([NH2+]CC1CCCC1)C(C)C ZINC001725212797 1425382108 /nfs/dbraw/zinc/38/21/08/1425382108.db2.gz NCGPQFHKLPWFNP-UXHICEINSA-N 2 1 347.547 2.737 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[C@@H]([NH2+]CC1CCCC1)C(C)C ZINC001725212797 1425382114 /nfs/dbraw/zinc/38/21/14/1425382114.db2.gz NCGPQFHKLPWFNP-UXHICEINSA-N 2 1 347.547 2.737 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC001725290016 1425443792 /nfs/dbraw/zinc/44/37/92/1425443792.db2.gz NVJHZARBYNAXHP-IAGOWNOFSA-N 2 1 333.520 2.796 10 30 EFEEMP C=C(C)C[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[C@H]2C1 ZINC001725337286 1425482012 /nfs/dbraw/zinc/48/20/12/1425482012.db2.gz OWJZBTNKRBLEIB-BZSNNMDCSA-N 2 1 335.536 2.757 10 30 EFEEMP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@H]2C1 ZINC001725337286 1425482016 /nfs/dbraw/zinc/48/20/16/1425482016.db2.gz OWJZBTNKRBLEIB-BZSNNMDCSA-N 2 1 335.536 2.757 10 30 EFEEMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@H]2C1 ZINC001725337286 1425482018 /nfs/dbraw/zinc/48/20/18/1425482018.db2.gz OWJZBTNKRBLEIB-BZSNNMDCSA-N 2 1 335.536 2.757 10 30 EFEEMP C=C(C)C[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001725337287 1425482380 /nfs/dbraw/zinc/48/23/80/1425482380.db2.gz OWJZBTNKRBLEIB-KSZLIROESA-N 2 1 335.536 2.757 10 30 EFEEMP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001725337287 1425482384 /nfs/dbraw/zinc/48/23/84/1425482384.db2.gz OWJZBTNKRBLEIB-KSZLIROESA-N 2 1 335.536 2.757 10 30 EFEEMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001725337287 1425482389 /nfs/dbraw/zinc/48/23/89/1425482389.db2.gz OWJZBTNKRBLEIB-KSZLIROESA-N 2 1 335.536 2.757 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001725339425 1425486879 /nfs/dbraw/zinc/48/68/79/1425486879.db2.gz WCPYFGVGJAEJBX-KZNAEPCWSA-N 2 1 333.520 2.606 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001725339425 1425486886 /nfs/dbraw/zinc/48/68/86/1425486886.db2.gz WCPYFGVGJAEJBX-KZNAEPCWSA-N 2 1 333.520 2.606 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001725339425 1425486891 /nfs/dbraw/zinc/48/68/91/1425486891.db2.gz WCPYFGVGJAEJBX-KZNAEPCWSA-N 2 1 333.520 2.606 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001725343757 1425492241 /nfs/dbraw/zinc/49/22/41/1425492241.db2.gz XTGHGOIOVWVYTQ-QYZOEREBSA-N 2 1 347.547 2.996 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001725343757 1425492242 /nfs/dbraw/zinc/49/22/42/1425492242.db2.gz XTGHGOIOVWVYTQ-QYZOEREBSA-N 2 1 347.547 2.996 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001725343757 1425492245 /nfs/dbraw/zinc/49/22/45/1425492245.db2.gz XTGHGOIOVWVYTQ-QYZOEREBSA-N 2 1 347.547 2.996 10 30 EFEEMP C=CCCC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1(C)C ZINC001725664760 1425763901 /nfs/dbraw/zinc/76/39/01/1425763901.db2.gz MWGBNSFEFMRHCC-MSOLQXFVSA-N 2 1 335.536 2.900 10 30 EFEEMP CC#CC[NH2+]C[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C(C)(C)C ZINC001725743688 1425811813 /nfs/dbraw/zinc/81/18/13/1425811813.db2.gz YVGVCVLMWBNEHH-HOTGVXAUSA-N 2 1 332.492 2.540 10 30 EFEEMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]1C(F)(F)F ZINC001725779822 1425845334 /nfs/dbraw/zinc/84/53/34/1425845334.db2.gz GNIITXREFNZRCK-UONOGXRCSA-N 2 1 349.441 2.519 10 30 EFEEMP C=CCCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@H]1C(F)(F)F ZINC001725784188 1425849230 /nfs/dbraw/zinc/84/92/30/1425849230.db2.gz XHDIVCBOOIPBBB-CABCVRRESA-N 2 1 349.441 2.663 10 30 EFEEMP 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ZINC000908145739 727102232 /nfs/dbraw/zinc/10/22/32/727102232.db2.gz IHASHALFBVXECP-OAQYLSRUSA-N 2 1 341.499 2.619 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC000911301312 727523628 /nfs/dbraw/zinc/52/36/28/727523628.db2.gz ZIXDDEJKHRNQJP-UHFFFAOYSA-N 2 1 336.505 2.746 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000941137708 727862434 /nfs/dbraw/zinc/86/24/34/727862434.db2.gz CVQIZSLVMDYHHT-GOSISDBHSA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000940788592 728242579 /nfs/dbraw/zinc/24/25/79/728242579.db2.gz BOIMMSUUYNVQHH-JKSUJKDBSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000940788592 728242581 /nfs/dbraw/zinc/24/25/81/728242581.db2.gz BOIMMSUUYNVQHH-JKSUJKDBSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000940788592 728242582 /nfs/dbraw/zinc/24/25/82/728242582.db2.gz BOIMMSUUYNVQHH-JKSUJKDBSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000940788592 728242585 /nfs/dbraw/zinc/24/25/85/728242585.db2.gz BOIMMSUUYNVQHH-JKSUJKDBSA-N 2 1 341.927 2.830 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(CC)CC)CC1(C)C ZINC000940807398 728254296 /nfs/dbraw/zinc/25/42/96/728254296.db2.gz NMSFMGQIGKGRTB-OALUTQOASA-N 2 1 347.547 2.737 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(CC)CC)CC1(C)C ZINC000940807398 728254298 /nfs/dbraw/zinc/25/42/98/728254298.db2.gz NMSFMGQIGKGRTB-OALUTQOASA-N 2 1 347.547 2.737 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(CC)CC)CC1(C)C ZINC000940807398 728254301 /nfs/dbraw/zinc/25/43/01/728254301.db2.gz NMSFMGQIGKGRTB-OALUTQOASA-N 2 1 347.547 2.737 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(CC)CC)CC1(C)C ZINC000940807398 728254303 /nfs/dbraw/zinc/25/43/03/728254303.db2.gz NMSFMGQIGKGRTB-OALUTQOASA-N 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C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940979294 728347371 /nfs/dbraw/zinc/34/73/71/728347371.db2.gz GWHYSBHGJOVGSI-BZSNNMDCSA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940979294 728347374 /nfs/dbraw/zinc/34/73/74/728347374.db2.gz GWHYSBHGJOVGSI-BZSNNMDCSA-N 2 1 335.536 2.900 10 30 EFEEMP N#Cc1ccc(C[NH+]2CCC3(C[N@@H+](C4CCC4)C[C@@H]3CO)CC2)cc1 ZINC000169782435 728404654 /nfs/dbraw/zinc/40/46/54/728404654.db2.gz FMKRICRVFGZMND-LJQANCHMSA-N 2 1 339.483 2.617 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001569433856 1085203030 /nfs/dbraw/zinc/20/30/30/1085203030.db2.gz ADLGOQGSFJZHOB-IBGZPJMESA-N 2 1 344.503 2.718 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001569433856 1085203040 /nfs/dbraw/zinc/20/30/40/1085203040.db2.gz ADLGOQGSFJZHOB-IBGZPJMESA-N 2 1 344.503 2.718 10 30 EFEEMP C=C(C)CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001569452473 1085239662 /nfs/dbraw/zinc/23/96/62/1085239662.db2.gz TXSHCITVOBXZLD-LJQANCHMSA-N 2 1 333.520 2.750 10 30 EFEEMP C=C(C)CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001569452473 1085239671 /nfs/dbraw/zinc/23/96/71/1085239671.db2.gz TXSHCITVOBXZLD-LJQANCHMSA-N 2 1 333.520 2.750 10 30 EFEEMP C=C(C)CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001569452473 1085239680 /nfs/dbraw/zinc/23/96/80/1085239680.db2.gz TXSHCITVOBXZLD-LJQANCHMSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCCC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001569455258 1085241856 /nfs/dbraw/zinc/24/18/56/1085241856.db2.gz DPBVLULJQJJAFD-GOSISDBHSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001569455258 1085241864 /nfs/dbraw/zinc/24/18/64/1085241864.db2.gz DPBVLULJQJJAFD-GOSISDBHSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001569455258 1085241873 /nfs/dbraw/zinc/24/18/73/1085241873.db2.gz DPBVLULJQJJAFD-GOSISDBHSA-N 2 1 333.520 2.607 10 30 EFEEMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001569595905 1085419801 /nfs/dbraw/zinc/41/98/01/1085419801.db2.gz GJUJRBBNGXMACU-RTBURBONSA-N 2 1 347.547 2.547 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001569648663 1085482657 /nfs/dbraw/zinc/48/26/57/1085482657.db2.gz YORWWBQIWDGADI-NRFANRHFSA-N 2 1 343.515 2.951 10 30 EFEEMP C#CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001569704184 1085533607 /nfs/dbraw/zinc/53/36/07/1085533607.db2.gz FTAULBDTUCWYSZ-IBGZPJMESA-N 2 1 345.531 2.635 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCC(C)(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001569705886 1085535282 /nfs/dbraw/zinc/53/52/82/1085535282.db2.gz ZKXAWBVBUWRINB-ZWKOTPCHSA-N 2 1 335.536 2.901 10 30 EFEEMP C#CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001569716404 1085551885 /nfs/dbraw/zinc/55/18/85/1085551885.db2.gz XDVVWEGRPNEXKR-CTNGQTDRSA-N 2 1 345.531 2.635 10 30 EFEEMP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001569716404 1085551888 /nfs/dbraw/zinc/55/18/88/1085551888.db2.gz XDVVWEGRPNEXKR-CTNGQTDRSA-N 2 1 345.531 2.635 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001569716404 1085551894 /nfs/dbraw/zinc/55/18/94/1085551894.db2.gz XDVVWEGRPNEXKR-CTNGQTDRSA-N 2 1 345.531 2.635 10 30 EFEEMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001569722659 1085558231 /nfs/dbraw/zinc/55/82/31/1085558231.db2.gz MOEMROLNDQOZHD-HXUWFJFHSA-N 2 1 329.488 2.766 10 30 EFEEMP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001569869312 1085698748 /nfs/dbraw/zinc/69/87/48/1085698748.db2.gz RPBZVNZSJQKQQA-PMACEKPBSA-N 2 1 341.499 2.808 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@H]2C1 ZINC001569883479 1085715831 /nfs/dbraw/zinc/71/58/31/1085715831.db2.gz DFTPKKZJJVSDNK-SLFFLAALSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[NH+]1C[C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001569920301 1085769694 /nfs/dbraw/zinc/76/96/94/1085769694.db2.gz YFABYKNEAPHZNL-IPMKNSEASA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001569920301 1085769701 /nfs/dbraw/zinc/76/97/01/1085769701.db2.gz YFABYKNEAPHZNL-IPMKNSEASA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001569920301 1085769709 /nfs/dbraw/zinc/76/97/09/1085769709.db2.gz YFABYKNEAPHZNL-IPMKNSEASA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001569921141 1085771060 /nfs/dbraw/zinc/77/10/60/1085771060.db2.gz BYIUCAWBPYJBFN-RBUKOAKNSA-N 2 1 333.520 2.751 10 30 EFEEMP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001569998845 1085841670 /nfs/dbraw/zinc/84/16/70/1085841670.db2.gz VEMQTJYKJUDVSL-UYAOXDASSA-N 2 1 345.531 2.635 10 30 EFEEMP C=CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001570031848 1085883237 /nfs/dbraw/zinc/88/32/37/1085883237.db2.gz WMXIJQQRAWXUKY-GPMSIDNRSA-N 2 1 329.488 2.870 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CC(C)C)cc1 ZINC001570031781 1085883313 /nfs/dbraw/zinc/88/33/13/1085883313.db2.gz UUBNZBYALURGFE-PXNSSMCTSA-N 2 1 341.499 2.707 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CC(C)C)cc1 ZINC001570031781 1085883321 /nfs/dbraw/zinc/88/33/21/1085883321.db2.gz UUBNZBYALURGFE-PXNSSMCTSA-N 2 1 341.499 2.707 10 30 EFEEMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001570043570 1085895950 /nfs/dbraw/zinc/89/59/50/1085895950.db2.gz XLVUMHXVAIRWSR-QWFCFKBJSA-N 2 1 345.531 2.681 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001570179733 1086021584 /nfs/dbraw/zinc/02/15/84/1086021584.db2.gz UVHQRLQHMCWLML-GOSISDBHSA-N 2 1 333.520 2.799 10 30 EFEEMP C#CCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CC)CC1 ZINC001570219915 1086059937 /nfs/dbraw/zinc/05/99/37/1086059937.db2.gz IYMMWBYWKAQUHH-BGYRXZFFSA-N 2 1 345.531 2.730 10 30 EFEEMP C#CCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CC)CC1 ZINC001570219915 1086059940 /nfs/dbraw/zinc/05/99/40/1086059940.db2.gz IYMMWBYWKAQUHH-BGYRXZFFSA-N 2 1 345.531 2.730 10 30 EFEEMP C=CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001570269087 1086103974 /nfs/dbraw/zinc/10/39/74/1086103974.db2.gz NXWRUBUQTWMSFG-PMACEKPBSA-N 2 1 341.499 2.590 10 30 EFEEMP C=CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001570269087 1086103977 /nfs/dbraw/zinc/10/39/77/1086103977.db2.gz NXWRUBUQTWMSFG-PMACEKPBSA-N 2 1 341.499 2.590 10 30 EFEEMP C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001570269087 1086103983 /nfs/dbraw/zinc/10/39/83/1086103983.db2.gz NXWRUBUQTWMSFG-PMACEKPBSA-N 2 1 341.499 2.590 10 30 EFEEMP C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001570269087 1086103987 /nfs/dbraw/zinc/10/39/87/1086103987.db2.gz NXWRUBUQTWMSFG-PMACEKPBSA-N 2 1 341.499 2.590 10 30 EFEEMP C=C(C)CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001570269371 1086104791 /nfs/dbraw/zinc/10/47/91/1086104791.db2.gz UHEBMSBKYYSQAJ-PMACEKPBSA-N 2 1 343.515 2.836 10 30 EFEEMP C=C(C)CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001570269687 1086106957 /nfs/dbraw/zinc/10/69/57/1086106957.db2.gz ZYYYLYAWHOKCHU-FQEVSTJZSA-N 2 1 343.515 2.838 10 30 EFEEMP C=CCCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001570273972 1086114420 /nfs/dbraw/zinc/11/44/20/1086114420.db2.gz ZWXGBWJWPFWYBH-ZVDOUQERSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001570273972 1086114425 /nfs/dbraw/zinc/11/44/25/1086114425.db2.gz ZWXGBWJWPFWYBH-ZVDOUQERSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001570273972 1086114432 /nfs/dbraw/zinc/11/44/32/1086114432.db2.gz ZWXGBWJWPFWYBH-ZVDOUQERSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+](C)Cc1ccccc1)C2 ZINC001570277005 1086119122 /nfs/dbraw/zinc/11/91/22/1086119122.db2.gz SNMKTHGAIVPVGW-OAQYLSRUSA-N 2 1 341.499 2.619 10 30 EFEEMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+](C)Cc1ccccc1)C2 ZINC001570277005 1086119127 /nfs/dbraw/zinc/11/91/27/1086119127.db2.gz SNMKTHGAIVPVGW-OAQYLSRUSA-N 2 1 341.499 2.619 10 30 EFEEMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)Cc1ccccc1)C2 ZINC001570277005 1086119130 /nfs/dbraw/zinc/11/91/30/1086119130.db2.gz SNMKTHGAIVPVGW-OAQYLSRUSA-N 2 1 341.499 2.619 10 30 EFEEMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)Cc1ccccc1)C2 ZINC001570277005 1086119132 /nfs/dbraw/zinc/11/91/32/1086119132.db2.gz SNMKTHGAIVPVGW-OAQYLSRUSA-N 2 1 341.499 2.619 10 30 EFEEMP C=CCCCCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001570530426 1086319649 /nfs/dbraw/zinc/31/96/49/1086319649.db2.gz KUZNFFYAMIWWMD-GUDVDZBRSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCCCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001570530426 1086319659 /nfs/dbraw/zinc/31/96/59/1086319659.db2.gz KUZNFFYAMIWWMD-GUDVDZBRSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001570530426 1086319672 /nfs/dbraw/zinc/31/96/72/1086319672.db2.gz KUZNFFYAMIWWMD-GUDVDZBRSA-N 2 1 335.536 2.996 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@H+](C)CCCCCC)CC1 ZINC001570548963 1086350716 /nfs/dbraw/zinc/35/07/16/1086350716.db2.gz SQZGCSCHCJKOJC-HXUWFJFHSA-N 2 1 347.547 2.835 10 30 EFEEMP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001570551780 1086358243 /nfs/dbraw/zinc/35/82/43/1086358243.db2.gz UJSLQZHHKCHIGH-OALUTQOASA-N 2 1 335.536 2.855 10 30 EFEEMP C=CC[NH2+]C1CCC(N(C)C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001570659973 1086443588 /nfs/dbraw/zinc/44/35/88/1086443588.db2.gz HHARBLRWQAVFLF-KLAILNCOSA-N 2 1 332.492 2.942 10 30 EFEEMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001570680653 1086456860 /nfs/dbraw/zinc/45/68/60/1086456860.db2.gz JORIGKBWKGIUDT-IBGZPJMESA-N 2 1 347.547 2.881 10 30 EFEEMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001570680654 1086457398 /nfs/dbraw/zinc/45/73/98/1086457398.db2.gz JORIGKBWKGIUDT-LJQANCHMSA-N 2 1 347.547 2.881 10 30 EFEEMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C(C)(C)C1 ZINC001570909221 1086607564 /nfs/dbraw/zinc/60/75/64/1086607564.db2.gz FLYNUPDVVPASTP-GOSISDBHSA-N 2 1 329.488 2.521 10 30 EFEEMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C(C)(C)C1 ZINC001570909221 1086607569 /nfs/dbraw/zinc/60/75/69/1086607569.db2.gz FLYNUPDVVPASTP-GOSISDBHSA-N 2 1 329.488 2.521 10 30 EFEEMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C(C)(C)C1 ZINC001570909221 1086607573 /nfs/dbraw/zinc/60/75/73/1086607573.db2.gz FLYNUPDVVPASTP-GOSISDBHSA-N 2 1 329.488 2.521 10 30 EFEEMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C(C)(C)C1 ZINC001570909221 1086607574 /nfs/dbraw/zinc/60/75/74/1086607574.db2.gz FLYNUPDVVPASTP-GOSISDBHSA-N 2 1 329.488 2.521 10 30 EFEEMP C=CCCCCC[NH+]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001570908018 1086607602 /nfs/dbraw/zinc/60/76/02/1086607602.db2.gz SYQSVJRQNRIKCQ-MSOLQXFVSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCCCCC[N@H+]1C[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001570908018 1086607605 /nfs/dbraw/zinc/60/76/05/1086607605.db2.gz SYQSVJRQNRIKCQ-MSOLQXFVSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCCCCC[N@@H+]1C[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001570908018 1086607608 /nfs/dbraw/zinc/60/76/08/1086607608.db2.gz SYQSVJRQNRIKCQ-MSOLQXFVSA-N 2 1 335.536 2.901 10 30 EFEEMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC001570909896 1086609145 /nfs/dbraw/zinc/60/91/45/1086609145.db2.gz SKYRVLTZEJKCMF-QGZVFWFLSA-N 2 1 334.508 2.989 10 30 EFEEMP CCCCCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC001570909896 1086609147 /nfs/dbraw/zinc/60/91/47/1086609147.db2.gz SKYRVLTZEJKCMF-QGZVFWFLSA-N 2 1 334.508 2.989 10 30 EFEEMP C=CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC001571021289 1086645254 /nfs/dbraw/zinc/64/52/54/1086645254.db2.gz GCXUOYBYQLQTFA-ZCNNSNEGSA-N 2 1 347.547 2.901 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001571043518 1086653672 /nfs/dbraw/zinc/65/36/72/1086653672.db2.gz GLMCDECOLUQHGC-KRWDZBQOSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@]2(C)C1 ZINC001571068000 1086659470 /nfs/dbraw/zinc/65/94/70/1086659470.db2.gz CMNJCXZQFFAYMV-QGZVKYPTSA-N 2 1 335.536 2.852 10 30 EFEEMP C=C(C)C[NH+](C)C1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001571336423 1086736292 /nfs/dbraw/zinc/73/62/92/1086736292.db2.gz UJLAVWNNUBQGNX-UHFFFAOYSA-N 2 1 329.488 2.617 10 30 EFEEMP C=C(C)C[NH+](C)C1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001571336423 1086736297 /nfs/dbraw/zinc/73/62/97/1086736297.db2.gz UJLAVWNNUBQGNX-UHFFFAOYSA-N 2 1 329.488 2.617 10 30 EFEEMP C=C(C)C[N@@H+](C)C1CCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001571336423 1086736301 /nfs/dbraw/zinc/73/63/01/1086736301.db2.gz UJLAVWNNUBQGNX-UHFFFAOYSA-N 2 1 329.488 2.617 10 30 EFEEMP C=C(C)C[N@H+](C)C1CCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001571336423 1086736306 /nfs/dbraw/zinc/73/63/06/1086736306.db2.gz UJLAVWNNUBQGNX-UHFFFAOYSA-N 2 1 329.488 2.617 10 30 EFEEMP C=C(C)CC[NH2+][C@H](CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001571351350 1086748865 /nfs/dbraw/zinc/74/88/65/1086748865.db2.gz QLKLPXPODPKVJL-PKOBYXMFSA-N 2 1 346.519 2.841 10 30 EFEEMP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001571361811 1086757295 /nfs/dbraw/zinc/75/72/95/1086757295.db2.gz WWOFMMORBBUJAU-MOPGFXCFSA-N 2 1 333.520 2.796 10 30 EFEEMP CC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001571537400 1086944391 /nfs/dbraw/zinc/94/43/91/1086944391.db2.gz BFUIRWXENZLFFC-DLBZAZTESA-N 2 1 333.520 2.537 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001571571821 1086971816 /nfs/dbraw/zinc/97/18/16/1086971816.db2.gz IAXNHVYCBDEPLK-LSDHHAIUSA-N 2 1 349.441 2.519 10 30 EFEEMP C#CCC[N@H+](C)CCN(C(=O)c1ccc(C[NH+](C)C)cc1)C(C)C ZINC001571615334 1086988789 /nfs/dbraw/zinc/98/87/89/1086988789.db2.gz NXGJSVQLWMXMQF-UHFFFAOYSA-N 2 1 329.488 2.554 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCCC(C)C)CC1 ZINC001571649097 1087019287 /nfs/dbraw/zinc/01/92/87/1087019287.db2.gz ROQXIGRUFZAKCC-ICSRJNTNSA-N 2 1 347.547 2.737 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCCC(C)C)CC1 ZINC001571649097 1087019294 /nfs/dbraw/zinc/01/92/94/1087019294.db2.gz ROQXIGRUFZAKCC-ICSRJNTNSA-N 2 1 347.547 2.737 10 30 EFEEMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001571651115 1087021098 /nfs/dbraw/zinc/02/10/98/1087021098.db2.gz MSIWLNZKHUFQKO-FXAWDEMLSA-N 2 1 341.499 2.529 10 30 EFEEMP C=C(C)CC[NH2+]C1CC(N(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001571665820 1087031624 /nfs/dbraw/zinc/03/16/24/1087031624.db2.gz LNXAEBZEKZSYQG-ACBHZAAOSA-N 2 1 329.488 2.835 10 30 EFEEMP C=CC[NH+]1CCC(C2(NC(=O)C[C@@H](C)n3cc[nH+]c3CC)CC2)CC1 ZINC001571669378 1087034168 /nfs/dbraw/zinc/03/41/68/1087034168.db2.gz ZDUGSHLGTDYZCG-MRXNPFEDSA-N 2 1 344.503 2.943 10 30 EFEEMP C=CC[NH+]1CCC(C2(NC(=O)C[C@H](C)n3cc[nH+]c3CC)CC2)CC1 ZINC001571669377 1087034222 /nfs/dbraw/zinc/03/42/22/1087034222.db2.gz ZDUGSHLGTDYZCG-INIZCTEOSA-N 2 1 344.503 2.943 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001267045176 1092447132 /nfs/dbraw/zinc/44/71/32/1092447132.db2.gz NRXJUDXRAJDVPN-PKOBYXMFSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001649462523 1092498348 /nfs/dbraw/zinc/49/83/48/1092498348.db2.gz KDFHSVPPXYFHED-MOPGFXCFSA-N 2 1 347.547 2.855 10 30 EFEEMP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001267094223 1092666883 /nfs/dbraw/zinc/66/68/83/1092666883.db2.gz SKYRYFGQIVEWGC-RTBURBONSA-N 2 1 329.488 2.712 10 30 EFEEMP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001267094223 1092666888 /nfs/dbraw/zinc/66/68/88/1092666888.db2.gz SKYRYFGQIVEWGC-RTBURBONSA-N 2 1 329.488 2.712 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCCCCCC)C1 ZINC001267105213 1092741438 /nfs/dbraw/zinc/74/14/38/1092741438.db2.gz YOUNFARQRPINBW-UXHICEINSA-N 2 1 347.547 2.977 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCCCCCC)C1 ZINC001267105213 1092741445 /nfs/dbraw/zinc/74/14/45/1092741445.db2.gz YOUNFARQRPINBW-UXHICEINSA-N 2 1 347.547 2.977 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCCCCCC)C1 ZINC001267105213 1092741448 /nfs/dbraw/zinc/74/14/48/1092741448.db2.gz YOUNFARQRPINBW-UXHICEINSA-N 2 1 347.547 2.977 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCCCCCC)C1 ZINC001267105213 1092741456 /nfs/dbraw/zinc/74/14/56/1092741456.db2.gz YOUNFARQRPINBW-UXHICEINSA-N 2 1 347.547 2.977 10 30 EFEEMP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001267110819 1092774120 /nfs/dbraw/zinc/77/41/20/1092774120.db2.gz IXTATDCUAJBOJB-PKOBYXMFSA-N 2 1 344.503 2.643 10 30 EFEEMP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001267110819 1092774125 /nfs/dbraw/zinc/77/41/25/1092774125.db2.gz IXTATDCUAJBOJB-PKOBYXMFSA-N 2 1 344.503 2.643 10 30 EFEEMP C[C@H](CCNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]CC#Cc1ccccc1 ZINC001267144589 1092902014 /nfs/dbraw/zinc/90/20/14/1092902014.db2.gz BIJQNSQUHZATQX-GOSISDBHSA-N 2 1 343.515 2.500 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001279585501 1092907370 /nfs/dbraw/zinc/90/73/70/1092907370.db2.gz CELODGVADQRTGC-RBUKOAKNSA-N 2 1 333.520 2.894 10 30 EFEEMP C=CCC[N@H+]1CCC[C@@H]1CCCNC(=O)Cc1cn2c(n1)CCCC2 ZINC001267168147 1093031084 /nfs/dbraw/zinc/03/10/84/1093031084.db2.gz NEBRDXRVXNSDAL-SFHVURJKSA-N 2 1 344.503 2.699 10 30 EFEEMP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001267176494 1093075073 /nfs/dbraw/zinc/07/50/73/1093075073.db2.gz IXLGDUUIPSYHSX-IBGZPJMESA-N 2 1 329.488 2.909 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@H](C)c1cc(C)ccc1C ZINC001267201182 1093176746 /nfs/dbraw/zinc/17/67/46/1093176746.db2.gz XJHQLPIHNQKJLS-QUCCMNQESA-N 2 1 341.499 2.510 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@H](C)c1cc(C)ccc1C ZINC001267201182 1093176753 /nfs/dbraw/zinc/17/67/53/1093176753.db2.gz XJHQLPIHNQKJLS-QUCCMNQESA-N 2 1 341.499 2.510 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)c1cc(C)ccc1C ZINC001267201182 1093176758 /nfs/dbraw/zinc/17/67/58/1093176758.db2.gz XJHQLPIHNQKJLS-QUCCMNQESA-N 2 1 341.499 2.510 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)c1cc(C)ccc1C ZINC001267201182 1093176762 /nfs/dbraw/zinc/17/67/62/1093176762.db2.gz XJHQLPIHNQKJLS-QUCCMNQESA-N 2 1 341.499 2.510 10 30 EFEEMP CCCCCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001267267139 1093425782 /nfs/dbraw/zinc/42/57/82/1093425782.db2.gz LNTDNBIZWQQDMZ-RTBURBONSA-N 2 1 335.536 2.879 10 30 EFEEMP CCCCCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001267267132 1093425881 /nfs/dbraw/zinc/42/58/81/1093425881.db2.gz LNTDNBIZWQQDMZ-MOPGFXCFSA-N 2 1 335.536 2.879 10 30 EFEEMP C=CC[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1C)c1ccc(C(C)C)cc1 ZINC001267346499 1093632149 /nfs/dbraw/zinc/63/21/49/1093632149.db2.gz RLXMTQQBPUIXED-IBGZPJMESA-N 2 1 340.471 2.948 10 30 EFEEMP C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001267604179 1094418862 /nfs/dbraw/zinc/41/88/62/1094418862.db2.gz OFCWCQPSTYUMLQ-LJQANCHMSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001481092700 1094422915 /nfs/dbraw/zinc/42/29/15/1094422915.db2.gz MZFRNTZIUYNMBK-PKOBYXMFSA-N 2 1 333.520 2.513 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001481100421 1094501681 /nfs/dbraw/zinc/50/16/81/1094501681.db2.gz PTOPMJQESXKEHR-GOSISDBHSA-N 2 1 333.520 2.799 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001481459841 1094658214 /nfs/dbraw/zinc/65/82/14/1094658214.db2.gz LVNQXMNQSRSWHM-GOSISDBHSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001267489620 1094928605 /nfs/dbraw/zinc/92/86/05/1094928605.db2.gz WAUGHINHGVOYEU-IEBWSBKVSA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001267489619 1094928906 /nfs/dbraw/zinc/92/89/06/1094928906.db2.gz WAUGHINHGVOYEU-HKUYNNGSSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCc3cnc(C)n3C2)CC1 ZINC001481517561 1095066429 /nfs/dbraw/zinc/06/64/29/1095066429.db2.gz NMVKTHVHCDGBCM-SFHVURJKSA-N 2 1 344.503 2.500 10 30 EFEEMP C=CCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001481517561 1095066440 /nfs/dbraw/zinc/06/64/40/1095066440.db2.gz NMVKTHVHCDGBCM-SFHVURJKSA-N 2 1 344.503 2.500 10 30 EFEEMP C=CCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001481517561 1095066453 /nfs/dbraw/zinc/06/64/53/1095066453.db2.gz NMVKTHVHCDGBCM-SFHVURJKSA-N 2 1 344.503 2.500 10 30 EFEEMP C=CCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)C1CC1 ZINC001481170123 1095104057 /nfs/dbraw/zinc/10/40/57/1095104057.db2.gz FIQPLFFUZBACQR-KRWDZBQOSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001481170123 1095104064 /nfs/dbraw/zinc/10/40/64/1095104064.db2.gz FIQPLFFUZBACQR-KRWDZBQOSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001481170123 1095104072 /nfs/dbraw/zinc/10/40/72/1095104072.db2.gz FIQPLFFUZBACQR-KRWDZBQOSA-N 2 1 333.520 2.798 10 30 EFEEMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCCCCCC)C1 ZINC001481535511 1095173987 /nfs/dbraw/zinc/17/39/87/1095173987.db2.gz QVFQSTXEDYBLLF-OALUTQOASA-N 2 1 333.520 2.635 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC=C(C)C)C1CCCCC1 ZINC001268120536 1095406834 /nfs/dbraw/zinc/40/68/34/1095406834.db2.gz WPLGSHONLQOCSC-UXHICEINSA-N 2 1 345.531 2.705 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC=C(C)C)C1CCCCC1 ZINC001268120536 1095406847 /nfs/dbraw/zinc/40/68/47/1095406847.db2.gz WPLGSHONLQOCSC-UXHICEINSA-N 2 1 345.531 2.705 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001267682086 1095441008 /nfs/dbraw/zinc/44/10/08/1095441008.db2.gz HIPNVXNKXAUFSC-APWZRJJASA-N 2 1 333.520 2.796 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001267544621 1095441915 /nfs/dbraw/zinc/44/19/15/1095441915.db2.gz SAFYVVDVTVMEJD-ZWKOTPCHSA-N 2 1 344.503 2.725 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H](N(CCC)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001267546952 1095449964 /nfs/dbraw/zinc/44/99/64/1095449964.db2.gz GDAUUKKQTMOJOO-IBGZPJMESA-N 2 1 335.536 2.997 10 30 EFEEMP C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001267547350 1095457201 /nfs/dbraw/zinc/45/72/01/1095457201.db2.gz MBQCZWWCNUPNBT-FQEVSTJZSA-N 2 1 343.515 2.903 10 30 EFEEMP C=C(C)CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001267589105 1096016852 /nfs/dbraw/zinc/01/68/52/1096016852.db2.gz LIVJALCADDSLFM-RBUKOAKNSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001267589105 1096016866 /nfs/dbraw/zinc/01/68/66/1096016866.db2.gz LIVJALCADDSLFM-RBUKOAKNSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001267589105 1096016878 /nfs/dbraw/zinc/01/68/78/1096016878.db2.gz LIVJALCADDSLFM-RBUKOAKNSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001267589808 1096034225 /nfs/dbraw/zinc/03/42/25/1096034225.db2.gz MMMISYRPLVRDBQ-QGZVFWFLSA-N 2 1 332.492 2.753 10 30 EFEEMP C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001267589808 1096034237 /nfs/dbraw/zinc/03/42/37/1096034237.db2.gz MMMISYRPLVRDBQ-QGZVFWFLSA-N 2 1 332.492 2.753 10 30 EFEEMP C#CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001268187381 1096052488 /nfs/dbraw/zinc/05/24/88/1096052488.db2.gz DJKWKMOJKKWCQJ-AZUAARDMSA-N 2 1 347.547 2.881 10 30 EFEEMP C=CC[N@H+](C)CCC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001268201492 1096087571 /nfs/dbraw/zinc/08/75/71/1096087571.db2.gz PGSSKVQYKORABJ-UHFFFAOYSA-N 2 1 335.536 2.853 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N2CCC(CC[N@H+](C)CCCC)CC2)CC1 ZINC001268205727 1096095686 /nfs/dbraw/zinc/09/56/86/1096095686.db2.gz NUPYHETZSUCVHH-UHFFFAOYSA-N 2 1 347.547 2.692 10 30 EFEEMP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001267596297 1096119862 /nfs/dbraw/zinc/11/98/62/1096119862.db2.gz LZXUYQJMVDSEMV-IEBWSBKVSA-N 2 1 329.488 2.646 10 30 EFEEMP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001267596297 1096119867 /nfs/dbraw/zinc/11/98/67/1096119867.db2.gz LZXUYQJMVDSEMV-IEBWSBKVSA-N 2 1 329.488 2.646 10 30 EFEEMP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001267596297 1096119872 /nfs/dbraw/zinc/11/98/72/1096119872.db2.gz LZXUYQJMVDSEMV-IEBWSBKVSA-N 2 1 329.488 2.646 10 30 EFEEMP C#CCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001267602033 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C=CCC[C@H](C)[N@H+]1CCC[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001483834005 1112494956 /nfs/dbraw/zinc/49/49/56/1112494956.db2.gz UBJGEWHNMNLLLT-RXVVDRJESA-N 2 1 347.547 2.997 10 30 EFEEMP CCCCCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001483847030 1112508704 /nfs/dbraw/zinc/50/87/04/1112508704.db2.gz IGSYNHXAGQXSAU-ICSRJNTNSA-N 2 1 335.536 2.833 10 30 EFEEMP CCCCCCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001483847030 1112508708 /nfs/dbraw/zinc/50/87/08/1112508708.db2.gz IGSYNHXAGQXSAU-ICSRJNTNSA-N 2 1 335.536 2.833 10 30 EFEEMP CCCCCCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001483847030 1112508712 /nfs/dbraw/zinc/50/87/12/1112508712.db2.gz IGSYNHXAGQXSAU-ICSRJNTNSA-N 2 1 335.536 2.833 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001483840745 1112516724 /nfs/dbraw/zinc/51/67/24/1112516724.db2.gz CWGGZOUGVXNWBX-FQEVSTJZSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1C(C)C 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/nfs/dbraw/zinc/89/07/45/1112890745.db2.gz QNUHHDJCIDYJIZ-UYAOXDASSA-N 2 1 335.536 2.903 10 30 EFEEMP C=CCCCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001484175937 1112890747 /nfs/dbraw/zinc/89/07/47/1112890747.db2.gz QNUHHDJCIDYJIZ-UYAOXDASSA-N 2 1 335.536 2.903 10 30 EFEEMP C=C(C)C[NH+]1CCC(F)(F)[C@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001484195305 1112910013 /nfs/dbraw/zinc/91/00/13/1112910013.db2.gz KFQHOEHQPBLSGR-HZPDHXFCSA-N 2 1 343.462 2.510 10 30 EFEEMP C=C(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001484195305 1112910019 /nfs/dbraw/zinc/91/00/19/1112910019.db2.gz KFQHOEHQPBLSGR-HZPDHXFCSA-N 2 1 343.462 2.510 10 30 EFEEMP C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001484195305 1112910025 /nfs/dbraw/zinc/91/00/25/1112910025.db2.gz KFQHOEHQPBLSGR-HZPDHXFCSA-N 2 1 343.462 2.510 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CCC=C)cc1 ZINC001484558286 1113011687 /nfs/dbraw/zinc/01/16/87/1113011687.db2.gz CUCQCJSQAZELFT-PXNSSMCTSA-N 2 1 339.483 2.627 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CCC=C)cc1 ZINC001484558286 1113011692 /nfs/dbraw/zinc/01/16/92/1113011692.db2.gz CUCQCJSQAZELFT-PXNSSMCTSA-N 2 1 339.483 2.627 10 30 EFEEMP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001484558485 1113012154 /nfs/dbraw/zinc/01/21/54/1113012154.db2.gz HHXFOPGULYGEGI-PXNSSMCTSA-N 2 1 341.499 2.850 10 30 EFEEMP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)cc1 ZINC001484559194 1113012728 /nfs/dbraw/zinc/01/27/28/1113012728.db2.gz OCJPBBFIZXOIER-AYOQOUSVSA-N 2 1 329.488 2.870 10 30 EFEEMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001484568436 1113023559 /nfs/dbraw/zinc/02/35/59/1113023559.db2.gz JJNURCXRFDJIFV-BZSNNMDCSA-N 2 1 344.503 2.685 10 30 EFEEMP C=C(C)CC[N@H+]1CCc2c(CNC(=O)C[NH+]3CCCC3)cccc2C1 ZINC001484612022 1113052876 /nfs/dbraw/zinc/05/28/76/1113052876.db2.gz CPAHUUWNXTYHGX-UHFFFAOYSA-N 2 1 341.499 2.723 10 30 EFEEMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CCC1 ZINC001484663091 1113103272 /nfs/dbraw/zinc/10/32/72/1113103272.db2.gz GZCDGOZXMUNQSM-SFHVURJKSA-N 2 1 329.488 2.884 10 30 EFEEMP C=C(C)C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001484824112 1117760901 /nfs/dbraw/zinc/76/09/01/1117760901.db2.gz OANZOFOFTJTSGT-HXUWFJFHSA-N 2 1 343.515 2.838 10 30 EFEEMP C=C(C)C[NH+]1Cc2ccc(CNC(=O)C[C@@H]3CC[N@H+](C)C3)cc2C1 ZINC001484875780 1117790677 /nfs/dbraw/zinc/79/06/77/1117790677.db2.gz RFNPEXLFNGTHJO-KRWDZBQOSA-N 2 1 327.472 2.536 10 30 EFEEMP C=C(C)C[N@H+]1Cc2ccc(CNC(=O)C[C@@H]3CC[NH+](C)C3)cc2C1 ZINC001484875780 1117790678 /nfs/dbraw/zinc/79/06/78/1117790678.db2.gz RFNPEXLFNGTHJO-KRWDZBQOSA-N 2 1 327.472 2.536 10 30 EFEEMP C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)C[C@@H]3CC[NH+](C)C3)cc2C1 ZINC001484875780 1117790682 /nfs/dbraw/zinc/79/06/82/1117790682.db2.gz RFNPEXLFNGTHJO-KRWDZBQOSA-N 2 1 327.472 2.536 10 30 EFEEMP C=CCCCCC[NH2+]C1(C)CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001484927607 1117831410 /nfs/dbraw/zinc/83/14/10/1117831410.db2.gz SMQJKUFAMPTWSO-UHFFFAOYSA-N 2 1 332.492 2.909 10 30 EFEEMP C=C(C)C[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001484923017 1117839105 /nfs/dbraw/zinc/83/91/05/1117839105.db2.gz ARHVESMIBYBJGI-UHFFFAOYSA-N 2 1 343.515 2.708 10 30 EFEEMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001484943914 1117870718 /nfs/dbraw/zinc/87/07/18/1117870718.db2.gz ZGYDKEVHMUMJGA-RTBURBONSA-N 2 1 341.499 2.529 10 30 EFEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001484943914 1117870721 /nfs/dbraw/zinc/87/07/21/1117870721.db2.gz ZGYDKEVHMUMJGA-RTBURBONSA-N 2 1 341.499 2.529 10 30 EFEEMP C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001485003551 1117931820 /nfs/dbraw/zinc/93/18/20/1117931820.db2.gz CHFLDBWLQFDWCC-MOPGFXCFSA-N 2 1 347.478 2.568 10 30 EFEEMP C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001485003551 1117931824 /nfs/dbraw/zinc/93/18/24/1117931824.db2.gz CHFLDBWLQFDWCC-MOPGFXCFSA-N 2 1 347.478 2.568 10 30 EFEEMP C=C(C)CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001485006187 1117937191 /nfs/dbraw/zinc/93/71/91/1117937191.db2.gz MKCVFCYAIXZOEA-HXUWFJFHSA-N 2 1 341.499 2.764 10 30 EFEEMP C#CCN1CCC[C@H]1C(=O)N1CCC(C[N@H+](CC)C[C@@H](C)CC)CC1 ZINC001485030952 1117956130 /nfs/dbraw/zinc/95/61/30/1117956130.db2.gz FBSLAHXQTHLEOH-ICSRJNTNSA-N 2 1 347.547 2.691 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@@H+](CC)C[C@@H](C)CC)CC1 ZINC001485030952 1117956132 /nfs/dbraw/zinc/95/61/32/1117956132.db2.gz FBSLAHXQTHLEOH-ICSRJNTNSA-N 2 1 347.547 2.691 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@H+](CC)C[C@@H](C)CC)CC1 ZINC001485030952 1117956136 /nfs/dbraw/zinc/95/61/36/1117956136.db2.gz FBSLAHXQTHLEOH-ICSRJNTNSA-N 2 1 347.547 2.691 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](CC)C[C@@H](C)CC)CC1 ZINC001485030952 1117956141 /nfs/dbraw/zinc/95/61/41/1117956141.db2.gz FBSLAHXQTHLEOH-ICSRJNTNSA-N 2 1 347.547 2.691 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](CC)C[C@@H](C)CC)CC1 ZINC001485030952 1117956143 /nfs/dbraw/zinc/95/61/43/1117956143.db2.gz FBSLAHXQTHLEOH-ICSRJNTNSA-N 2 1 347.547 2.691 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CCC ZINC001485058845 1117997988 /nfs/dbraw/zinc/99/79/88/1117997988.db2.gz VXQFSXHAIOKJEH-HZPDHXFCSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001485058845 1117997990 /nfs/dbraw/zinc/99/79/90/1117997990.db2.gz VXQFSXHAIOKJEH-HZPDHXFCSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CCC ZINC001485058845 1117997992 /nfs/dbraw/zinc/99/79/92/1117997992.db2.gz VXQFSXHAIOKJEH-HZPDHXFCSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CCC ZINC001485058845 1117997994 /nfs/dbraw/zinc/99/79/94/1117997994.db2.gz VXQFSXHAIOKJEH-HZPDHXFCSA-N 2 1 327.900 2.536 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC/C=C/CCC ZINC001485059534 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KLMIRXKUAOFZPF-DLBZAZTESA-N 2 1 341.927 2.925 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001485071165 1118009001 /nfs/dbraw/zinc/00/90/01/1118009001.db2.gz KLMIRXKUAOFZPF-DLBZAZTESA-N 2 1 341.927 2.925 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001485071165 1118009006 /nfs/dbraw/zinc/00/90/06/1118009006.db2.gz KLMIRXKUAOFZPF-DLBZAZTESA-N 2 1 341.927 2.925 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001485084680 1118024127 /nfs/dbraw/zinc/02/41/27/1118024127.db2.gz PQHSIDWEVPSLAV-IBGZPJMESA-N 2 1 347.547 2.855 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001485082270 1118032317 /nfs/dbraw/zinc/03/23/17/1118032317.db2.gz NVOJWBYXVFRLQM-OALUTQOASA-N 2 1 344.503 2.718 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001485082270 1118032320 /nfs/dbraw/zinc/03/23/20/1118032320.db2.gz NVOJWBYXVFRLQM-OALUTQOASA-N 2 1 344.503 2.718 10 30 EFEEMP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001485258529 1118189828 /nfs/dbraw/zinc/18/98/28/1118189828.db2.gz NCMCODRXJOECSG-IBGZPJMESA-N 2 1 347.547 2.881 10 30 EFEEMP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC001272699554 1118332317 /nfs/dbraw/zinc/33/23/17/1118332317.db2.gz BPYPTZMGTAUIDO-QKLQHJQFSA-N 2 1 341.499 2.707 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001485439679 1118351765 /nfs/dbraw/zinc/35/17/65/1118351765.db2.gz JCIQYSMLAYVODZ-CVEARBPZSA-N 2 1 329.916 2.543 10 30 EFEEMP CC#CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001485467054 1118377010 /nfs/dbraw/zinc/37/70/10/1118377010.db2.gz YXCFDEQRGPGYKO-PKOBYXMFSA-N 2 1 333.520 2.681 10 30 EFEEMP C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)CC3CC[NH+](C)CC3)C[C@@]2(C)C1 ZINC001485669635 1118518280 /nfs/dbraw/zinc/51/82/80/1118518280.db2.gz ZRUGVAXKXZQUSG-OYRHEFFESA-N 2 1 347.547 2.855 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC=C(C)C)CC2(C)C)CC1 ZINC000941238223 1118695670 /nfs/dbraw/zinc/69/56/70/1118695670.db2.gz VGBSYESDFWEEGF-LJQANCHMSA-N 2 1 345.531 2.515 10 30 EFEEMP C[NH+](C)[C@@]1(CNC(=[NH2+])Nc2cccc3c2CCCC3)CCSC1 ZINC000262458612 240354692 /nfs/dbraw/zinc/35/46/92/240354692.db2.gz LWNWFRTYMOSUIC-GOSISDBHSA-N 2 1 332.517 2.729 10 30 EFEEMP C[N@@H+](CCNC(=[NH2+])N[C@H]1CCOc2ccccc21)C1CCCCC1 ZINC000262478919 240356166 /nfs/dbraw/zinc/35/61/66/240356166.db2.gz HRNFRZRVFZGGCT-KRWDZBQOSA-N 2 1 330.476 2.679 10 30 EFEEMP Cc1nc(C[NH+]2CCC(CNC(=[NH2+])NC3CCCCC3)CC2)cs1 ZINC000262541524 240359274 /nfs/dbraw/zinc/35/92/74/240359274.db2.gz SFRGSIUVUXALMD-UHFFFAOYSA-N 2 1 349.548 2.901 10 30 EFEEMP c1ccc(NC(=[NH+]C[C@H]2C[N@@H+](C3CC3)CCO2)N2CCCCC2)cc1 ZINC000262700441 240364864 /nfs/dbraw/zinc/36/48/64/240364864.db2.gz KJMNFGDNXHRFOE-IBGZPJMESA-N 2 1 342.487 2.804 10 30 EFEEMP c1ccc(NC(=[NH+]C[C@H]2C[N@H+](C3CC3)CCO2)N2CCCCC2)cc1 ZINC000262700441 240364870 /nfs/dbraw/zinc/36/48/70/240364870.db2.gz KJMNFGDNXHRFOE-IBGZPJMESA-N 2 1 342.487 2.804 10 30 EFEEMP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000246077498 240264227 /nfs/dbraw/zinc/26/42/27/240264227.db2.gz CWEOLDUYOLIAKZ-QZTJIDSGSA-N 2 1 342.487 2.713 10 30 EFEEMP C=CCOc1ccccc1C[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000355652338 242043275 /nfs/dbraw/zinc/04/32/75/242043275.db2.gz JQTDBWISBDHAKE-UHFFFAOYSA-N 2 1 339.439 2.977 10 30 EFEEMP C=CCOc1ccccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000355214372 242024337 /nfs/dbraw/zinc/02/43/37/242024337.db2.gz AISNIGVBQWVZRP-CMKODMSKSA-N 2 1 330.472 2.935 10 30 EFEEMP C=CCOc1ccccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000355214372 242024339 /nfs/dbraw/zinc/02/43/39/242024339.db2.gz AISNIGVBQWVZRP-CMKODMSKSA-N 2 1 330.472 2.935 10 30 EFEEMP C[NH+]=C(NCC[N@H+]1CCCC[C@@H]1C)N1CCC(OC(C)(C)C)CC1 ZINC000261675865 533477355 /nfs/dbraw/zinc/47/73/55/533477355.db2.gz CNTRYIXGYPOHPP-INIZCTEOSA-N 2 1 338.540 2.716 10 30 EFEEMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123312957 473126117 /nfs/dbraw/zinc/12/61/17/473126117.db2.gz IWHYHAZNWBBROF-MRXNPFEDSA-N 2 1 325.460 2.950 10 30 EFEEMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000123318001 473127016 /nfs/dbraw/zinc/12/70/16/473127016.db2.gz HPRWNDVRQRAGPE-HOTGVXAUSA-N 2 1 325.460 2.664 10 30 EFEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000178747079 473553155 /nfs/dbraw/zinc/55/31/55/473553155.db2.gz KZZBRFORCPTGST-SFHVURJKSA-N 2 1 337.427 2.556 10 30 EFEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000178747079 473553164 /nfs/dbraw/zinc/55/31/64/473553164.db2.gz KZZBRFORCPTGST-SFHVURJKSA-N 2 1 337.427 2.556 10 30 EFEEMP CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2sc(C)c(C)c2C#N)[C@@H](C)C1 ZINC000247246055 474097727 /nfs/dbraw/zinc/09/77/27/474097727.db2.gz UEAYLVMWUDOZOI-BLLLJJGKSA-N 2 1 348.516 2.837 10 30 EFEEMP CC[N@H+]1CC[C@@H](N(C)CC(=O)N(CCC#N)c2ccccc2)[C@@H](C)C1 ZINC000245413887 474582442 /nfs/dbraw/zinc/58/24/42/474582442.db2.gz BWBNXXQJYBTRQG-PKOBYXMFSA-N 2 1 342.487 2.595 10 30 EFEEMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc(C#N)cc2OC)[C@@H](C)C1 ZINC000245432884 474585363 /nfs/dbraw/zinc/58/53/63/474585363.db2.gz OVSKANFWJQHHFB-RDJZCZTQSA-N 2 1 331.460 2.608 10 30 EFEEMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc(C#N)cc2OC)[C@@H](C)C1 ZINC000245432884 474585371 /nfs/dbraw/zinc/58/53/71/474585371.db2.gz OVSKANFWJQHHFB-RDJZCZTQSA-N 2 1 331.460 2.608 10 30 EFEEMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc(C#N)cc2OC)[C@@H](C)C1 ZINC000245432884 474585374 /nfs/dbraw/zinc/58/53/74/474585374.db2.gz OVSKANFWJQHHFB-RDJZCZTQSA-N 2 1 331.460 2.608 10 30 EFEEMP C=CCOCC[N@@H+](CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000339035909 474862620 /nfs/dbraw/zinc/86/26/20/474862620.db2.gz KUZJGRJRDSWRSP-UHFFFAOYSA-N 2 1 332.492 2.977 10 30 EFEEMP C=CCOCC[N@H+](CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000339035909 474862630 /nfs/dbraw/zinc/86/26/30/474862630.db2.gz KUZJGRJRDSWRSP-UHFFFAOYSA-N 2 1 332.492 2.977 10 30 EFEEMP C=CCOc1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000349035425 475898421 /nfs/dbraw/zinc/89/84/21/475898421.db2.gz JFZULZYWZOAUOG-UHFFFAOYSA-N 2 1 331.504 2.709 10 30 EFEEMP C=CCOc1ccccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354026424 476375036 /nfs/dbraw/zinc/37/50/36/476375036.db2.gz SUHBYKMIAWFZFO-QUCCMNQESA-N 2 1 343.515 2.709 10 30 EFEEMP C=CCOc1ccccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354026424 476375040 /nfs/dbraw/zinc/37/50/40/476375040.db2.gz SUHBYKMIAWFZFO-QUCCMNQESA-N 2 1 343.515 2.709 10 30 EFEEMP N#Cc1ccc(N2CCC([NH2+]CCC[NH2+]Cc3cccnc3)CC2)cc1 ZINC000423189491 476959616 /nfs/dbraw/zinc/95/96/16/476959616.db2.gz PMVZSULSGHGSRC-UHFFFAOYSA-N 2 1 349.482 2.692 10 30 EFEEMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@H]([NH3+])CCCCC#N)cc1 ZINC000594439815 478389401 /nfs/dbraw/zinc/38/94/01/478389401.db2.gz VKOUWERIBKBYGJ-RDTXWAMCSA-N 2 1 339.443 2.769 10 30 EFEEMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594439087 478389663 /nfs/dbraw/zinc/38/96/63/478389663.db2.gz SGNYBJUYBSHFSN-KURKYZTESA-N 2 1 334.508 2.511 10 30 EFEEMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@H]([NH3+])CCCCC#N)cc1 ZINC000594439810 478389854 /nfs/dbraw/zinc/38/98/54/478389854.db2.gz VKOUWERIBKBYGJ-KBXCAEBGSA-N 2 1 339.443 2.769 10 30 EFEEMP N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000600720525 478483042 /nfs/dbraw/zinc/48/30/42/478483042.db2.gz HNZSGNCPHARJLI-JKSUJKDBSA-N 2 1 333.501 2.604 10 30 EFEEMP N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000600720525 478483046 /nfs/dbraw/zinc/48/30/46/478483046.db2.gz HNZSGNCPHARJLI-JKSUJKDBSA-N 2 1 333.501 2.604 10 30 EFEEMP N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000600720199 478483304 /nfs/dbraw/zinc/48/33/04/478483304.db2.gz HNZSGNCPHARJLI-HZPDHXFCSA-N 2 1 333.501 2.604 10 30 EFEEMP N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000600720199 478483314 /nfs/dbraw/zinc/48/33/14/478483314.db2.gz HNZSGNCPHARJLI-HZPDHXFCSA-N 2 1 333.501 2.604 10 30 EFEEMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)[C@@H]1c1cccs1 ZINC000600726705 478488269 /nfs/dbraw/zinc/48/82/69/478488269.db2.gz UFTSPPCDMZNAON-HLLBOEOZSA-N 2 1 333.501 2.775 10 30 EFEEMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)[C@@H]1c1cccs1 ZINC000600726705 478488274 /nfs/dbraw/zinc/48/82/74/478488274.db2.gz UFTSPPCDMZNAON-HLLBOEOZSA-N 2 1 333.501 2.775 10 30 EFEEMP N#CC1(c2ccc(C[NH2+]CCCC[N@@H+]3CCC[C@H]3CO)cc2)CC1 ZINC000594928489 478591299 /nfs/dbraw/zinc/59/12/99/478591299.db2.gz ZKWUKIKLCKDEAL-IBGZPJMESA-N 2 1 327.472 2.568 10 30 EFEEMP N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C[N@@H+]3CC[C@@H](O)C3)cc1)CC2 ZINC000595066864 478649439 /nfs/dbraw/zinc/64/94/39/478649439.db2.gz FXCHJHUOGIHWGG-IRLDBZIGSA-N 2 1 347.462 2.902 10 30 EFEEMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@H](O)CC2(C#N)CC2)CC1 ZINC000528365844 478737036 /nfs/dbraw/zinc/73/70/36/478737036.db2.gz DCIUZMIQYIJSJA-HXUWFJFHSA-N 2 1 341.499 2.885 10 30 EFEEMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1C(C)(C)C#N)CCO2 ZINC000592183832 478816927 /nfs/dbraw/zinc/81/69/27/478816927.db2.gz WVXBVTCLEZZBIV-UHFFFAOYSA-N 2 1 327.472 2.784 10 30 EFEEMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000599402120 479284512 /nfs/dbraw/zinc/28/45/12/479284512.db2.gz JEDDLVJRHZGVGC-OALUTQOASA-N 2 1 341.499 2.931 10 30 EFEEMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000599402120 479284518 /nfs/dbraw/zinc/28/45/18/479284518.db2.gz JEDDLVJRHZGVGC-OALUTQOASA-N 2 1 341.499 2.931 10 30 EFEEMP C[NH+](C)CCC[N@H+](C)CCNc1ccc(C#N)cc1Br ZINC000596423683 479288993 /nfs/dbraw/zinc/28/89/93/479288993.db2.gz ACUZKYATFWNANK-UHFFFAOYSA-N 2 1 339.281 2.616 10 30 EFEEMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc(C#N)cc1Br ZINC000596423683 479288998 /nfs/dbraw/zinc/28/89/98/479288998.db2.gz ACUZKYATFWNANK-UHFFFAOYSA-N 2 1 339.281 2.616 10 30 EFEEMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3nc(C#N)cs3)CC2)oc1C ZINC000574508655 479299474 /nfs/dbraw/zinc/29/94/74/479299474.db2.gz JANZUHGUDBVHIS-UHFFFAOYSA-N 2 1 345.472 2.621 10 30 EFEEMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)CCO1 ZINC000597248383 479642862 /nfs/dbraw/zinc/64/28/62/479642862.db2.gz SAOSUBLGBFUWEQ-FQEVSTJZSA-N 2 1 345.487 2.912 10 30 EFEEMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CCO1 ZINC000597248383 479642868 /nfs/dbraw/zinc/64/28/68/479642868.db2.gz SAOSUBLGBFUWEQ-FQEVSTJZSA-N 2 1 345.487 2.912 10 30 EFEEMP C=CCN(CC=C)C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637868412 481820274 /nfs/dbraw/zinc/82/02/74/481820274.db2.gz BZLNFJIPUQICRF-UHFFFAOYSA-N 2 1 327.472 2.571 10 30 EFEEMP C=CC[C@]1(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CCC[NH2+]1 ZINC000662663261 481921449 /nfs/dbraw/zinc/92/14/49/481921449.db2.gz GNWHZAWXNRMKBF-SJLPKXTDSA-N 2 1 335.879 2.757 10 30 EFEEMP C=CC[C@@]1(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662693791 481936739 /nfs/dbraw/zinc/93/67/39/481936739.db2.gz RAXJZNGGVDLBJY-FPOVZHCZSA-N 2 1 341.499 2.713 10 30 EFEEMP C=CC[C@]1(C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)CCC[NH2+]1 ZINC000662696122 481938528 /nfs/dbraw/zinc/93/85/28/481938528.db2.gz SWYRRQQAGVVYTD-LJQANCHMSA-N 2 1 342.418 2.634 10 30 EFEEMP C=CC[C@]1(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CCC[NH2+]1 ZINC000662696861 481938718 /nfs/dbraw/zinc/93/87/18/481938718.db2.gz XKSMCAYUNQENLB-YVWKXTFCSA-N 2 1 327.472 2.636 10 30 EFEEMP C=CC[C@]1(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CCC[NH2+]1 ZINC000662697897 481939762 /nfs/dbraw/zinc/93/97/62/481939762.db2.gz FOFJVNGADOVEKI-CMKODMSKSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CC[C@]1(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662729148 481952106 /nfs/dbraw/zinc/95/21/06/481952106.db2.gz KRSZZZLWELPHOH-PZJWPPBQSA-N 2 1 341.499 2.665 10 30 EFEEMP C[C@@H]1CCCC[N@@H+]1CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181506970 534161082 /nfs/dbraw/zinc/16/10/82/534161082.db2.gz FZQYLCUJDDHSDX-GOSISDBHSA-N 2 1 340.515 2.987 10 30 EFEEMP C[C@@H]1CCCC[N@H+]1CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181506970 534161090 /nfs/dbraw/zinc/16/10/90/534161090.db2.gz FZQYLCUJDDHSDX-GOSISDBHSA-N 2 1 340.515 2.987 10 30 EFEEMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2C#N)[C@@H](C)C1 ZINC000245412206 521719532 /nfs/dbraw/zinc/71/95/32/521719532.db2.gz ADPLQSUCHPUUBN-YJBOKZPZSA-N 2 1 328.460 2.549 10 30 EFEEMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccccc2C#N)[C@@H](C)C1 ZINC000245412206 521719533 /nfs/dbraw/zinc/71/95/33/521719533.db2.gz ADPLQSUCHPUUBN-YJBOKZPZSA-N 2 1 328.460 2.549 10 30 EFEEMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2C#N)[C@@H](C)C1 ZINC000245412206 521719534 /nfs/dbraw/zinc/71/95/34/521719534.db2.gz ADPLQSUCHPUUBN-YJBOKZPZSA-N 2 1 328.460 2.549 10 30 EFEEMP C=CCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000355207527 534883085 /nfs/dbraw/zinc/88/30/85/534883085.db2.gz ODOQIPIXUBQUQK-YSIASYRMSA-N 2 1 330.472 2.935 10 30 EFEEMP C=CCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000355207527 534883090 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ONKFKBYZGVKBSM-QZTJIDSGSA-N 2 1 335.536 2.900 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCCC1CCC1)C(C)(C)C ZINC001486401007 1263046535 /nfs/dbraw/zinc/04/65/35/1263046535.db2.gz KCBNFMKKTCYDGP-OALUTQOASA-N 2 1 347.547 2.785 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCCC1CCC1)C(C)(C)C ZINC001486401007 1263046548 /nfs/dbraw/zinc/04/65/48/1263046548.db2.gz KCBNFMKKTCYDGP-OALUTQOASA-N 2 1 347.547 2.785 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@@H]1C(F)(F)F ZINC001486451744 1263147070 /nfs/dbraw/zinc/14/70/70/1263147070.db2.gz BIFLCAGVFAMXRM-LSDHHAIUSA-N 2 1 349.441 2.663 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@H]1C(F)(F)F ZINC001486451741 1263147271 /nfs/dbraw/zinc/14/72/71/1263147271.db2.gz BIFLCAGVFAMXRM-CABCVRRESA-N 2 1 349.441 2.663 10 30 EFEEMP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)c(F)c1 ZINC001486524061 1263325428 /nfs/dbraw/zinc/32/54/28/1263325428.db2.gz OEBUKNNYUMYEIE-SFHVURJKSA-N 2 1 333.451 2.592 10 30 EFEEMP C=CCCC[NH+]1CCC2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001671059833 1270141954 /nfs/dbraw/zinc/14/19/54/1270141954.db2.gz RLJUMJZQRZBILJ-GOSISDBHSA-N 2 1 333.520 2.609 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)(C)C ZINC001411214793 1272028243 /nfs/dbraw/zinc/02/82/43/1272028243.db2.gz VJOPLMUTVHUHPK-GJZGRUSLSA-N 2 1 329.916 2.732 10 30 EFEEMP C=CCCn1cc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)nn1 ZINC000872156100 1287452233 /nfs/dbraw/zinc/45/22/33/1287452233.db2.gz DTVSAXCVJPABSO-QFBILLFUSA-N 2 1 331.508 2.974 10 30 EFEEMP C=CCCn1cc(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)nn1 ZINC000872156100 1287452238 /nfs/dbraw/zinc/45/22/38/1287452238.db2.gz DTVSAXCVJPABSO-QFBILLFUSA-N 2 1 331.508 2.974 10 30 EFEEMP C#CC1(O)CC[NH+](CCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001174883044 1287195518 /nfs/dbraw/zinc/19/55/18/1287195518.db2.gz KQRQPGDXIRDEKL-UHFFFAOYSA-N 2 1 340.511 2.791 10 30 EFEEMP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 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/nfs/dbraw/zinc/05/92/21/1291059221.db2.gz ZJIODPRUSKGSRU-DOTOQJQBSA-N 2 1 335.879 2.579 10 30 EFEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](CC)C1 ZINC000876892617 1291062215 /nfs/dbraw/zinc/06/22/15/1291062215.db2.gz DAXMNEAQOLIHKN-IAGOWNOFSA-N 2 1 335.879 2.579 10 30 EFEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](CC)C1 ZINC000876892617 1291062224 /nfs/dbraw/zinc/06/22/24/1291062224.db2.gz DAXMNEAQOLIHKN-IAGOWNOFSA-N 2 1 335.879 2.579 10 30 EFEEMP CCC[NH+]=C(NCCc1[nH+]ccn1Cc1ccccc1)N1CCCC1 ZINC000095405072 1292128775 /nfs/dbraw/zinc/12/87/75/1292128775.db2.gz NXOVEFJHLUEPEE-UHFFFAOYSA-N 2 1 339.487 2.925 10 30 EFEEMP C#CCC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001273607064 1292290423 /nfs/dbraw/zinc/29/04/23/1292290423.db2.gz IAIVWJWKUJIWKT-PMACEKPBSA-N 2 1 347.547 2.835 10 30 EFEEMP C#CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001273607064 1292290431 /nfs/dbraw/zinc/29/04/31/1292290431.db2.gz IAIVWJWKUJIWKT-PMACEKPBSA-N 2 1 347.547 2.835 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001273607064 1292290439 /nfs/dbraw/zinc/29/04/39/1292290439.db2.gz IAIVWJWKUJIWKT-PMACEKPBSA-N 2 1 347.547 2.835 10 30 EFEEMP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001276334344 1292839841 /nfs/dbraw/zinc/83/98/41/1292839841.db2.gz OBGRJZJYYDDIIV-LJQANCHMSA-N 2 1 329.488 2.665 10 30 EFEEMP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001276334344 1292839850 /nfs/dbraw/zinc/83/98/50/1292839850.db2.gz OBGRJZJYYDDIIV-LJQANCHMSA-N 2 1 329.488 2.665 10 30 EFEEMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001276334344 1292839853 /nfs/dbraw/zinc/83/98/53/1292839853.db2.gz OBGRJZJYYDDIIV-LJQANCHMSA-N 2 1 329.488 2.665 10 30 EFEEMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001276334344 1292839862 /nfs/dbraw/zinc/83/98/62/1292839862.db2.gz OBGRJZJYYDDIIV-LJQANCHMSA-N 2 1 329.488 2.665 10 30 EFEEMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001276334633 1292841184 /nfs/dbraw/zinc/84/11/84/1292841184.db2.gz RJHXOMDELDGINB-UXHICEINSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001276334633 1292841194 /nfs/dbraw/zinc/84/11/94/1292841194.db2.gz RJHXOMDELDGINB-UXHICEINSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001276334632 1292841283 /nfs/dbraw/zinc/84/12/83/1292841283.db2.gz RJHXOMDELDGINB-PMACEKPBSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001276334632 1292841295 /nfs/dbraw/zinc/84/12/95/1292841295.db2.gz RJHXOMDELDGINB-PMACEKPBSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CCN1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000886209382 1294766779 /nfs/dbraw/zinc/76/67/79/1294766779.db2.gz LDYRLVXGLNFJIK-RTWAWAEBSA-N 2 1 337.511 2.871 10 30 EFEEMP C#CCN1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000886209382 1294766786 /nfs/dbraw/zinc/76/67/86/1294766786.db2.gz LDYRLVXGLNFJIK-RTWAWAEBSA-N 2 1 337.511 2.871 10 30 EFEEMP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000930136583 1297237147 /nfs/dbraw/zinc/23/71/47/1297237147.db2.gz NWJDWJOGUYFKML-NQIIRXRSSA-N 2 1 340.515 2.633 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C(C)(C)[C@H]21 ZINC001489087371 1298009643 /nfs/dbraw/zinc/00/96/43/1298009643.db2.gz QNKJVHVEYLSCGZ-KURKYZTESA-N 2 1 347.547 2.900 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@@H]2[C@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)[C@H]21 ZINC001489087361 1298009689 /nfs/dbraw/zinc/00/96/89/1298009689.db2.gz QKBZNFDUKXCMTP-PVAVHDDUSA-N 2 1 341.927 2.686 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@@H]2[C@H](NC(=O)CC[N@H+](C)CC)C(C)(C)[C@H]21 ZINC001489087361 1298009699 /nfs/dbraw/zinc/00/96/99/1298009699.db2.gz QKBZNFDUKXCMTP-PVAVHDDUSA-N 2 1 341.927 2.686 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@@H]2[C@H](NC(=O)CC[NH+](C)CC)C(C)(C)[C@H]21 ZINC001489087361 1298009709 /nfs/dbraw/zinc/00/97/09/1298009709.db2.gz QKBZNFDUKXCMTP-PVAVHDDUSA-N 2 1 341.927 2.686 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CC[NH+](C)CC)C(C)(C)[C@H]21 ZINC001489087361 1298009720 /nfs/dbraw/zinc/00/97/20/1298009720.db2.gz QKBZNFDUKXCMTP-PVAVHDDUSA-N 2 1 341.927 2.686 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C(C)(C)[C@@H]21 ZINC001489087372 1298010014 /nfs/dbraw/zinc/01/00/14/1298010014.db2.gz QNKJVHVEYLSCGZ-KZNAEPCWSA-N 2 1 347.547 2.900 10 30 EFEEMP C#CCN1CCC[C@H]1C(=O)NCCC[N@H+](C)[C@H](C)c1ccccc1C ZINC001490209426 1298601666 /nfs/dbraw/zinc/60/16/66/1298601666.db2.gz ZMOILJJTHYNUOT-QUCCMNQESA-N 2 1 341.499 2.592 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)[C@H](C)c1ccccc1C ZINC001490209426 1298601672 /nfs/dbraw/zinc/60/16/72/1298601672.db2.gz ZMOILJJTHYNUOT-QUCCMNQESA-N 2 1 341.499 2.592 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)[C@H](C)c1ccccc1C ZINC001490209426 1298601679 /nfs/dbraw/zinc/60/16/79/1298601679.db2.gz ZMOILJJTHYNUOT-QUCCMNQESA-N 2 1 341.499 2.592 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@H](C)c1ccccc1C ZINC001490209426 1298601688 /nfs/dbraw/zinc/60/16/88/1298601688.db2.gz ZMOILJJTHYNUOT-QUCCMNQESA-N 2 1 341.499 2.592 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@H](C)c1ccccc1C ZINC001490209426 1298601697 /nfs/dbraw/zinc/60/16/97/1298601697.db2.gz ZMOILJJTHYNUOT-QUCCMNQESA-N 2 1 341.499 2.592 10 30 EFEEMP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001490611569 1299037485 /nfs/dbraw/zinc/03/74/85/1299037485.db2.gz XKGKWJKWSJXMOW-ZWKOTPCHSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001490758715 1299198340 /nfs/dbraw/zinc/19/83/40/1299198340.db2.gz MAWLDEWLFNUGMV-GOSISDBHSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001490768075 1299218352 /nfs/dbraw/zinc/21/83/52/1299218352.db2.gz YIMCWMXJTUKCSP-IBGZPJMESA-N 2 1 347.547 2.999 10 30 EFEEMP CCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001490792970 1299262711 /nfs/dbraw/zinc/26/27/11/1299262711.db2.gz PNULVYSSPRITPB-ZCNNSNEGSA-N 2 1 347.547 2.974 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001490793694 1299262768 /nfs/dbraw/zinc/26/27/68/1299262768.db2.gz JVLNQQAFGYTHIC-HCXYKTFWSA-N 2 1 333.520 2.891 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001490793694 1299262777 /nfs/dbraw/zinc/26/27/77/1299262777.db2.gz JVLNQQAFGYTHIC-HCXYKTFWSA-N 2 1 333.520 2.891 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001490793694 1299262781 /nfs/dbraw/zinc/26/27/81/1299262781.db2.gz JVLNQQAFGYTHIC-HCXYKTFWSA-N 2 1 333.520 2.891 10 30 EFEEMP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001490797533 1299368031 /nfs/dbraw/zinc/36/80/31/1299368031.db2.gz ATEDLVDBXWEDBN-INDMIFKZSA-N 2 1 331.504 2.645 10 30 EFEEMP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001490797533 1299368041 /nfs/dbraw/zinc/36/80/41/1299368041.db2.gz ATEDLVDBXWEDBN-INDMIFKZSA-N 2 1 331.504 2.645 10 30 EFEEMP C=C(Cl)C[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001691739643 1299907143 /nfs/dbraw/zinc/90/71/43/1299907143.db2.gz OPKSOLCZJFTDPD-UHFFFAOYSA-N 2 1 327.900 2.584 10 30 EFEEMP C#CCN(C(=O)CC[C@H]1CCC[N@H+]1C)C1CC[NH+](CCCCC)CC1 ZINC001278157878 1313725071 /nfs/dbraw/zinc/72/50/71/1313725071.db2.gz XAWDWBXULPNUNS-LJQANCHMSA-N 2 1 347.547 2.977 10 30 EFEEMP C#CCN(C(=O)Cn1c[nH+]cc1C)C1CC[NH+](CCCC(C)C)CC1 ZINC001278163801 1313732028 /nfs/dbraw/zinc/73/20/28/1313732028.db2.gz UQZDLXBBXYTHCE-UHFFFAOYSA-N 2 1 344.503 2.554 10 30 EFEEMP CC#CC[NH2+]C[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C1CCCC1 ZINC001278241318 1313831727 /nfs/dbraw/zinc/83/17/27/1313831727.db2.gz NNNURFQVDBKAIH-SJLPKXTDSA-N 2 1 344.503 2.685 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)CC1 ZINC001490804043 1303948796 /nfs/dbraw/zinc/94/87/96/1303948796.db2.gz KZAMMINYNAVALD-GBESFXJTSA-N 2 1 333.520 2.748 10 30 EFEEMP C=CCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001278337117 1314156010 /nfs/dbraw/zinc/15/60/10/1314156010.db2.gz XNLCQWAOWVBAOV-CTNGQTDRSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001278337117 1314156012 /nfs/dbraw/zinc/15/60/12/1314156012.db2.gz XNLCQWAOWVBAOV-CTNGQTDRSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001278337117 1314156014 /nfs/dbraw/zinc/15/60/14/1314156014.db2.gz XNLCQWAOWVBAOV-CTNGQTDRSA-N 2 1 347.547 2.999 10 30 EFEEMP CCCCCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001276668931 1314233389 /nfs/dbraw/zinc/23/33/89/1314233389.db2.gz AEEDHRWLDZSULN-LWYYNNOASA-N 2 1 347.547 2.593 10 30 EFEEMP CC#CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@H+](C)CCCCCC)C[C@H]2C1 ZINC001276838999 1311185299 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/nfs/dbraw/zinc/90/59/19/1311905919.db2.gz PCQJEOPOSADFSR-LJQANCHMSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001277283646 1311923150 /nfs/dbraw/zinc/92/31/50/1311923150.db2.gz GQWHFIUIIOBQCM-QZTJIDSGSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001277308375 1311960777 /nfs/dbraw/zinc/96/07/77/1311960777.db2.gz ILHQSAUAUDBIRZ-HRVKUGKESA-N 2 1 333.520 2.939 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CC1 ZINC001277350963 1312040763 /nfs/dbraw/zinc/04/07/63/1312040763.db2.gz BSCFXIXXZRNXIJ-KURKYZTESA-N 2 1 333.520 2.748 10 30 EFEEMP C#CCC[NH+](CC1CC1)C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001277388860 1312099564 /nfs/dbraw/zinc/09/95/64/1312099564.db2.gz UTVKDGURVHBFGS-LJQANCHMSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CCC[N@H+](CC1CC1)C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001277388860 1312099566 /nfs/dbraw/zinc/09/95/66/1312099566.db2.gz UTVKDGURVHBFGS-LJQANCHMSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001277388860 1312099569 /nfs/dbraw/zinc/09/95/69/1312099569.db2.gz UTVKDGURVHBFGS-LJQANCHMSA-N 2 1 345.531 2.587 10 30 EFEEMP C=CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001277389074 1312099591 /nfs/dbraw/zinc/09/95/91/1312099591.db2.gz ZQCRSHFIZUHEBS-IBGZPJMESA-N 2 1 333.520 2.750 10 30 EFEEMP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001277389074 1312099593 /nfs/dbraw/zinc/09/95/93/1312099593.db2.gz ZQCRSHFIZUHEBS-IBGZPJMESA-N 2 1 333.520 2.750 10 30 EFEEMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001277389074 1312099594 /nfs/dbraw/zinc/09/95/94/1312099594.db2.gz ZQCRSHFIZUHEBS-IBGZPJMESA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001277428961 1312155258 /nfs/dbraw/zinc/15/52/58/1312155258.db2.gz GEZHGWZTAGYJEK-QGZVFWFLSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001277515992 1312505946 /nfs/dbraw/zinc/50/59/46/1312505946.db2.gz DWLMGWCKGJTFST-FXAWDEMLSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001277526144 1312514161 /nfs/dbraw/zinc/51/41/61/1312514161.db2.gz XVHUTKFVMPPLEM-FQEVSTJZSA-N 2 1 345.531 2.753 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CC[C@@]2(CCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001277537853 1312527849 /nfs/dbraw/zinc/52/78/49/1312527849.db2.gz NOUGSDVEBICEPG-AZUAARDMSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001277537853 1312527853 /nfs/dbraw/zinc/52/78/53/1312527853.db2.gz NOUGSDVEBICEPG-AZUAARDMSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001277537853 1312527857 /nfs/dbraw/zinc/52/78/57/1312527857.db2.gz NOUGSDVEBICEPG-AZUAARDMSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CC[C@@]2(CCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001277537856 1312528179 /nfs/dbraw/zinc/52/81/79/1312528179.db2.gz NOUGSDVEBICEPG-UYAOXDASSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001277537856 1312528182 /nfs/dbraw/zinc/52/81/82/1312528182.db2.gz NOUGSDVEBICEPG-UYAOXDASSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001277537856 1312528184 /nfs/dbraw/zinc/52/81/84/1312528184.db2.gz NOUGSDVEBICEPG-UYAOXDASSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCCCC[NH+]1CC[C@@]2(NC(=O)[C@H]3CCC[N@H+]3C)CCC[C@H]12 ZINC001278458059 1314656830 /nfs/dbraw/zinc/65/68/30/1314656830.db2.gz BATPHTSWCKODMM-HBFSDRIKSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCCCCC[NH+]1CC[C@@]2(NC(=O)[C@H]3CCC[N@@H+]3C)CCC[C@H]12 ZINC001278458059 1314656835 /nfs/dbraw/zinc/65/68/35/1314656835.db2.gz BATPHTSWCKODMM-HBFSDRIKSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@H]12 ZINC001278458059 1314656839 /nfs/dbraw/zinc/65/68/39/1314656839.db2.gz BATPHTSWCKODMM-HBFSDRIKSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@H]12 ZINC001278458059 1314656847 /nfs/dbraw/zinc/65/68/47/1314656847.db2.gz BATPHTSWCKODMM-HBFSDRIKSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCCCCC[NH+]1CC[C@@]2(NC(=O)[C@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001278458058 1314657149 /nfs/dbraw/zinc/65/71/49/1314657149.db2.gz BATPHTSWCKODMM-GGPKGHCWSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCCCCC[NH+]1CC[C@@]2(NC(=O)[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001278458058 1314657153 /nfs/dbraw/zinc/65/71/53/1314657153.db2.gz BATPHTSWCKODMM-GGPKGHCWSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001278458058 1314657157 /nfs/dbraw/zinc/65/71/57/1314657157.db2.gz BATPHTSWCKODMM-GGPKGHCWSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001278458058 1314657161 /nfs/dbraw/zinc/65/71/61/1314657161.db2.gz BATPHTSWCKODMM-GGPKGHCWSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCCCCC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@H+]3C)CCC[C@H]12 ZINC001278458063 1314657321 /nfs/dbraw/zinc/65/73/21/1314657321.db2.gz BATPHTSWCKODMM-WSTZPKSXSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCCCCC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@@H+]3C)CCC[C@H]12 ZINC001278458063 1314657325 /nfs/dbraw/zinc/65/73/25/1314657325.db2.gz BATPHTSWCKODMM-WSTZPKSXSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@H]12 ZINC001278458063 1314657329 /nfs/dbraw/zinc/65/73/29/1314657329.db2.gz BATPHTSWCKODMM-WSTZPKSXSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@H]12 ZINC001278458063 1314657334 /nfs/dbraw/zinc/65/73/34/1314657334.db2.gz BATPHTSWCKODMM-WSTZPKSXSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@H]12 ZINC001278462191 1314671859 /nfs/dbraw/zinc/67/18/59/1314671859.db2.gz ZKIMZMXMDURYPH-ZWOKBUDYSA-N 2 1 333.520 2.796 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1CC ZINC001276739044 1314943437 /nfs/dbraw/zinc/94/34/37/1314943437.db2.gz JNNGSYLAYPAPEV-WBVHZDCISA-N 2 1 348.491 2.533 10 30 EFEEMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1CC ZINC001276762016 1315113850 /nfs/dbraw/zinc/11/38/50/1315113850.db2.gz OTYMMSVGPWMIQT-ZWKOTPCHSA-N 2 1 332.492 2.765 10 30 EFEEMP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1CC ZINC001276762013 1315114100 /nfs/dbraw/zinc/11/41/00/1315114100.db2.gz OTYMMSVGPWMIQT-MSOLQXFVSA-N 2 1 332.492 2.765 10 30 EFEEMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1CC ZINC001276762014 1315114236 /nfs/dbraw/zinc/11/42/36/1315114236.db2.gz OTYMMSVGPWMIQT-QZTJIDSGSA-N 2 1 332.492 2.765 10 30 EFEEMP C=CCCCCC[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC001278644463 1315413160 /nfs/dbraw/zinc/41/31/60/1315413160.db2.gz FPFSXZSALRKEJW-KURKYZTESA-N 2 1 335.536 2.900 10 30 EFEEMP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001278692743 1315556039 /nfs/dbraw/zinc/55/60/39/1315556039.db2.gz BXXMZGQLJSBLDV-FPOVZHCZSA-N 2 1 341.499 2.531 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001278692743 1315556042 /nfs/dbraw/zinc/55/60/42/1315556042.db2.gz BXXMZGQLJSBLDV-FPOVZHCZSA-N 2 1 341.499 2.531 10 30 EFEEMP C=C(C)CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001278741447 1315640612 /nfs/dbraw/zinc/64/06/12/1315640612.db2.gz OZLYCIGDUIQTKE-HNNXBMFYSA-N 2 1 343.462 2.510 10 30 EFEEMP CCCCCCC[N@H+]1CC[C@H](N(CC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001318483989 1328613689 /nfs/dbraw/zinc/61/36/89/1328613689.db2.gz IUAPISLWBOHIBR-SFHVURJKSA-N 2 1 335.536 2.975 10 30 EFEEMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001279079473 1316125822 /nfs/dbraw/zinc/12/58/22/1316125822.db2.gz OIOUKQHZWQKZNS-DLBZAZTESA-N 2 1 344.503 2.637 10 30 EFEEMP C=CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001264017742 1316581159 /nfs/dbraw/zinc/58/11/59/1316581159.db2.gz LVABCHFJEIHLKP-NCXUSEDFSA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001264177072 1316594784 /nfs/dbraw/zinc/59/47/84/1316594784.db2.gz YUZPDLVTAOTPME-CVEARBPZSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001264177072 1316594787 /nfs/dbraw/zinc/59/47/87/1316594787.db2.gz YUZPDLVTAOTPME-CVEARBPZSA-N 2 1 327.900 2.584 10 30 EFEEMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001264196719 1316600147 /nfs/dbraw/zinc/60/01/47/1316600147.db2.gz JUMNZXXRXFMAKI-ZWKOTPCHSA-N 2 1 335.536 2.900 10 30 EFEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC(C)(C)C1 ZINC001264196714 1316600434 /nfs/dbraw/zinc/60/04/34/1316600434.db2.gz JSBUBDKGNFJLHH-LJQANCHMSA-N 2 1 347.547 2.883 10 30 EFEEMP C=C(Cl)C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)Cn1c[nH+]cc1C ZINC001264516357 1316626562 /nfs/dbraw/zinc/62/65/62/1316626562.db2.gz ZTHXJZNCSGVCRB-CZUORRHYSA-N 2 1 338.883 2.551 10 30 EFEEMP C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001264742836 1316664315 /nfs/dbraw/zinc/66/43/15/1316664315.db2.gz JJXJUBFTTQTYML-MJGOQNOKSA-N 2 1 344.503 2.643 10 30 EFEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001264742836 1316664318 /nfs/dbraw/zinc/66/43/18/1316664318.db2.gz JJXJUBFTTQTYML-MJGOQNOKSA-N 2 1 344.503 2.643 10 30 EFEEMP C=CCCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001281086495 1316671809 /nfs/dbraw/zinc/67/18/09/1316671809.db2.gz DKTQLFOHIFUIIU-UYAOXDASSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001281086495 1316671810 /nfs/dbraw/zinc/67/18/10/1316671810.db2.gz DKTQLFOHIFUIIU-UYAOXDASSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001281086495 1316671811 /nfs/dbraw/zinc/67/18/11/1316671811.db2.gz DKTQLFOHIFUIIU-UYAOXDASSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001281086493 1316671922 /nfs/dbraw/zinc/67/19/22/1316671922.db2.gz DKTQLFOHIFUIIU-ICSRJNTNSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001281086493 1316671926 /nfs/dbraw/zinc/67/19/26/1316671926.db2.gz DKTQLFOHIFUIIU-ICSRJNTNSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001281086493 1316671929 /nfs/dbraw/zinc/67/19/29/1316671929.db2.gz DKTQLFOHIFUIIU-ICSRJNTNSA-N 2 1 333.520 2.751 10 30 EFEEMP C=C(C)CC[N@@H+](CC)CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001265134389 1316731789 /nfs/dbraw/zinc/73/17/89/1316731789.db2.gz SNIUYNCPEKWFPI-IBGZPJMESA-N 2 1 341.515 2.993 10 30 EFEEMP C=C(C)CC[NH+](CC)CCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001265134389 1316731791 /nfs/dbraw/zinc/73/17/91/1316731791.db2.gz SNIUYNCPEKWFPI-IBGZPJMESA-N 2 1 341.515 2.993 10 30 EFEEMP C=C(C)CC[NH+](CC)CCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001265134389 1316731792 /nfs/dbraw/zinc/73/17/92/1316731792.db2.gz SNIUYNCPEKWFPI-IBGZPJMESA-N 2 1 341.515 2.993 10 30 EFEEMP C=CC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)C1CC1 ZINC001265161189 1316744019 /nfs/dbraw/zinc/74/40/19/1316744019.db2.gz FGFPXUCNUFYNNR-QGZVFWFLSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CC[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001265161189 1316744021 /nfs/dbraw/zinc/74/40/21/1316744021.db2.gz FGFPXUCNUFYNNR-QGZVFWFLSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CC[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001265161189 1316744022 /nfs/dbraw/zinc/74/40/22/1316744022.db2.gz FGFPXUCNUFYNNR-QGZVFWFLSA-N 2 1 333.520 2.798 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001265193930 1316749415 /nfs/dbraw/zinc/74/94/15/1316749415.db2.gz ZOQGXNWGXFWVSR-IBGZPJMESA-N 2 1 347.547 2.833 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001265193930 1316749418 /nfs/dbraw/zinc/74/94/18/1316749418.db2.gz ZOQGXNWGXFWVSR-IBGZPJMESA-N 2 1 347.547 2.833 10 30 EFEEMP C=CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001265390636 1316795712 /nfs/dbraw/zinc/79/57/12/1316795712.db2.gz JMBFLQOVRMLUBB-MOPGFXCFSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001265390636 1316795713 /nfs/dbraw/zinc/79/57/13/1316795713.db2.gz JMBFLQOVRMLUBB-MOPGFXCFSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001265390636 1316795715 /nfs/dbraw/zinc/79/57/15/1316795715.db2.gz JMBFLQOVRMLUBB-MOPGFXCFSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1C ZINC001265408478 1316800917 /nfs/dbraw/zinc/80/09/17/1316800917.db2.gz JOZIGVMIDXHZEH-HDICACEKSA-N 2 1 338.455 2.898 10 30 EFEEMP C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001265411015 1316801424 /nfs/dbraw/zinc/80/14/24/1316801424.db2.gz BPLLKDQDRJUWFP-CEXWTWQISA-N 2 1 335.536 2.994 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC/C=C/CCC ZINC001265673189 1316850543 /nfs/dbraw/zinc/85/05/43/1316850543.db2.gz AEPLXIGXFZVZFZ-HEVSSNLLSA-N 2 1 345.531 2.801 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC/C=C/CCC ZINC001265673189 1316850545 /nfs/dbraw/zinc/85/05/45/1316850545.db2.gz AEPLXIGXFZVZFZ-HEVSSNLLSA-N 2 1 345.531 2.801 10 30 EFEEMP CC#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001266009998 1316949819 /nfs/dbraw/zinc/94/98/19/1316949819.db2.gz CDNTXEHBHHEOFS-UYAOXDASSA-N 2 1 341.499 2.501 10 30 EFEEMP CC#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001266009998 1316949822 /nfs/dbraw/zinc/94/98/22/1316949822.db2.gz CDNTXEHBHHEOFS-UYAOXDASSA-N 2 1 341.499 2.501 10 30 EFEEMP CC#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001266009995 1316950117 /nfs/dbraw/zinc/95/01/17/1316950117.db2.gz CDNTXEHBHHEOFS-AZUAARDMSA-N 2 1 341.499 2.501 10 30 EFEEMP CC#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001266009995 1316950120 /nfs/dbraw/zinc/95/01/20/1316950120.db2.gz CDNTXEHBHHEOFS-AZUAARDMSA-N 2 1 341.499 2.501 10 30 EFEEMP CC#CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001318687429 1328669267 /nfs/dbraw/zinc/66/92/67/1328669267.db2.gz WWFOCBZJSZWANO-UTKZUKDTSA-N 2 1 345.531 2.539 10 30 EFEEMP C=C(C)CC[N@H+]1CCC[C@@H]1CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001266223522 1317165427 /nfs/dbraw/zinc/16/54/27/1317165427.db2.gz RUDPXNPEJBQIDE-SFHVURJKSA-N 2 1 333.520 2.942 10 30 EFEEMP CC#CC[NH2+]CCN(Cc1ccccc1)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001279328891 1317238705 /nfs/dbraw/zinc/23/87/05/1317238705.db2.gz ZWFTXSFUROCHLH-KDURUIRLSA-N 2 1 341.499 2.501 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001279566248 1317302596 /nfs/dbraw/zinc/30/25/96/1317302596.db2.gz OWLVLAZPUIWEFV-MOPGFXCFSA-N 2 1 345.531 2.894 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](C[C@H](C)CC(C)C)CC1 ZINC001279583083 1317312959 /nfs/dbraw/zinc/31/29/59/1317312959.db2.gz WEAQXVSDCLLBBU-QUCCMNQESA-N 2 1 345.531 2.515 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](C[C@H](C)CC(C)C)CC1 ZINC001279583083 1317312969 /nfs/dbraw/zinc/31/29/69/1317312969.db2.gz WEAQXVSDCLLBBU-QUCCMNQESA-N 2 1 345.531 2.515 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001279583083 1317312975 /nfs/dbraw/zinc/31/29/75/1317312975.db2.gz WEAQXVSDCLLBBU-QUCCMNQESA-N 2 1 345.531 2.515 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001279583083 1317312986 /nfs/dbraw/zinc/31/29/86/1317312986.db2.gz WEAQXVSDCLLBBU-QUCCMNQESA-N 2 1 345.531 2.515 10 30 EFEEMP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)Cn2cc[nH+]c2C(C)C)cc1 ZINC001280355087 1317519356 /nfs/dbraw/zinc/51/93/56/1317519356.db2.gz XPMMUAQFBHZWAJ-INIZCTEOSA-N 2 1 338.455 2.607 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001280379048 1317533827 /nfs/dbraw/zinc/53/38/27/1317533827.db2.gz TVKCKKLCNBWSEA-BJLQDIEVSA-N 2 1 333.520 2.703 10 30 EFEEMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001280770561 1317767244 /nfs/dbraw/zinc/76/72/44/1317767244.db2.gz SKDNFUZHFAKRRO-VQTJNVASSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001280770561 1317767249 /nfs/dbraw/zinc/76/72/49/1317767249.db2.gz SKDNFUZHFAKRRO-VQTJNVASSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001280770561 1317767255 /nfs/dbraw/zinc/76/72/55/1317767255.db2.gz SKDNFUZHFAKRRO-VQTJNVASSA-N 2 1 341.499 2.673 10 30 EFEEMP C=CCCCCC[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001280770796 1317767472 /nfs/dbraw/zinc/76/74/72/1317767472.db2.gz XGZOOLUIMHGHDY-SFHVURJKSA-N 2 1 333.520 2.799 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001280890216 1317883079 /nfs/dbraw/zinc/88/30/79/1317883079.db2.gz VNZJZTPPKJOLFQ-VQTJNVASSA-N 2 1 345.531 2.589 10 30 EFEEMP C=C(C)C[NH2+]C1(CC)CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001281037340 1317986578 /nfs/dbraw/zinc/98/65/78/1317986578.db2.gz RWFHJHBSQGHGMR-KRWDZBQOSA-N 2 1 344.503 2.691 10 30 EFEEMP C=CC[N@H+]1Cc2ccc(CNC(=O)C[NH+]3[C@H](C)CC[C@H]3C)cc2C1 ZINC001281304835 1318162791 /nfs/dbraw/zinc/16/27/91/1318162791.db2.gz GLPMLCKFIOPENP-HZPDHXFCSA-N 2 1 327.472 2.677 10 30 EFEEMP C=CC[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3[C@H](C)CC[C@H]3C)cc2C1 ZINC001281304835 1318162797 /nfs/dbraw/zinc/16/27/97/1318162797.db2.gz GLPMLCKFIOPENP-HZPDHXFCSA-N 2 1 327.472 2.677 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]cn2)C(C)(C)C1 ZINC001281554288 1318444304 /nfs/dbraw/zinc/44/43/04/1318444304.db2.gz AZSFCJKMCJWFBN-NVXWUHKLSA-N 2 1 332.492 2.914 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CCc2cnc[nH]2)C(C)(C)C1 ZINC001281554288 1318444308 /nfs/dbraw/zinc/44/43/08/1318444308.db2.gz AZSFCJKMCJWFBN-NVXWUHKLSA-N 2 1 332.492 2.914 10 30 EFEEMP C#CCC[NH+]1CCC(CCNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001319029412 1328767167 /nfs/dbraw/zinc/76/71/67/1328767167.db2.gz FXMHQLGGKVBJRB-UHFFFAOYSA-N 2 1 347.547 2.883 10 30 EFEEMP CC#CC[N@H+](CC)CC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001281845288 1318602604 /nfs/dbraw/zinc/60/26/04/1318602604.db2.gz WLFLTBSURSVAKX-UHFFFAOYSA-N 2 1 347.547 2.691 10 30 EFEEMP C=CCCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001281939575 1318631891 /nfs/dbraw/zinc/63/18/91/1318631891.db2.gz IZLDWRYKOKLPOR-VQTJNVASSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001281975173 1318642042 /nfs/dbraw/zinc/64/20/42/1318642042.db2.gz LFZNIDOLGSUZIK-RTBURBONSA-N 2 1 335.536 2.855 10 30 EFEEMP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001282221005 1318784294 /nfs/dbraw/zinc/78/42/94/1318784294.db2.gz XTOWFDGLYKUJDE-CVEARBPZSA-N 2 1 349.906 2.516 10 30 EFEEMP C=C(C)C[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001282648131 1319046592 /nfs/dbraw/zinc/04/65/92/1319046592.db2.gz PMZMPVICFJRWTL-SJORKVTESA-N 2 1 332.492 2.595 10 30 EFEEMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001282833497 1319150298 /nfs/dbraw/zinc/15/02/98/1319150298.db2.gz LCWIBAVXLIDAOT-QZTJIDSGSA-N 2 1 335.536 2.900 10 30 EFEEMP CCCCCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001282874579 1319179247 /nfs/dbraw/zinc/17/92/47/1319179247.db2.gz GMSRTSMUSCCGOA-VYJAJWGXSA-N 2 1 349.563 2.981 10 30 EFEEMP CCCCCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001282874579 1319179253 /nfs/dbraw/zinc/17/92/53/1319179253.db2.gz GMSRTSMUSCCGOA-VYJAJWGXSA-N 2 1 349.563 2.981 10 30 EFEEMP CCCCCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001282874579 1319179257 /nfs/dbraw/zinc/17/92/57/1319179257.db2.gz GMSRTSMUSCCGOA-VYJAJWGXSA-N 2 1 349.563 2.981 10 30 EFEEMP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001282896419 1319194976 /nfs/dbraw/zinc/19/49/76/1319194976.db2.gz UWUXSLHBXDAETI-YSTOQKLRSA-N 2 1 341.499 2.550 10 30 EFEEMP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001282896419 1319194984 /nfs/dbraw/zinc/19/49/84/1319194984.db2.gz UWUXSLHBXDAETI-YSTOQKLRSA-N 2 1 341.499 2.550 10 30 EFEEMP C=CCCC[N@@H+]1CCCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001282966618 1319224373 /nfs/dbraw/zinc/22/43/73/1319224373.db2.gz FHGXBBSUFHMFNK-UHFFFAOYSA-N 2 1 333.520 2.751 10 30 EFEEMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+](C)CCCCCC)C[C@@]2(C)C1 ZINC001282993445 1319246492 /nfs/dbraw/zinc/24/64/92/1319246492.db2.gz YPECAUHFHGHSLB-OYRHEFFESA-N 2 1 347.547 2.692 10 30 EFEEMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)CCCCCC)C[C@@]2(C)C1 ZINC001282993445 1319246506 /nfs/dbraw/zinc/24/65/06/1319246506.db2.gz YPECAUHFHGHSLB-OYRHEFFESA-N 2 1 347.547 2.692 10 30 EFEEMP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)CCCCCC)C[C@@]2(C)C1 ZINC001282993445 1319246515 /nfs/dbraw/zinc/24/65/15/1319246515.db2.gz YPECAUHFHGHSLB-OYRHEFFESA-N 2 1 347.547 2.692 10 30 EFEEMP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001283172546 1319395528 /nfs/dbraw/zinc/39/55/28/1319395528.db2.gz DLRMOIRAWHOFIA-QZTJIDSGSA-N 2 1 333.520 2.539 10 30 EFEEMP C=CCC[C@H](C)[NH2+][C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CC1(C)C ZINC001284294082 1320308004 /nfs/dbraw/zinc/30/80/04/1320308004.db2.gz WGYOYYZSVFBJFQ-YOEHRIQHSA-N 2 1 348.491 2.531 10 30 EFEEMP C=CCC[NH+]1CCC(C2(NC(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001284844077 1320559731 /nfs/dbraw/zinc/55/97/31/1320559731.db2.gz ZGVNEBNZDFMOCX-SFHVURJKSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001284853279 1320562514 /nfs/dbraw/zinc/56/25/14/1320562514.db2.gz PCRJBJDEEOIHRW-DLBZAZTESA-N 2 1 333.520 2.654 10 30 EFEEMP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001319610083 1328928756 /nfs/dbraw/zinc/92/87/56/1328928756.db2.gz RIPZLCPGKSKFGL-QZTJIDSGSA-N 2 1 335.536 2.948 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001319635186 1328934267 /nfs/dbraw/zinc/93/42/67/1328934267.db2.gz UAKGLKHVIQPJPQ-ZWKOTPCHSA-N 2 1 346.519 2.841 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001319635183 1328934300 /nfs/dbraw/zinc/93/43/00/1328934300.db2.gz UAKGLKHVIQPJPQ-QZTJIDSGSA-N 2 1 346.519 2.841 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001319635184 1328934376 /nfs/dbraw/zinc/93/43/76/1328934376.db2.gz UAKGLKHVIQPJPQ-ROUUACIJSA-N 2 1 346.519 2.841 10 30 EFEEMP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C1CCCCC1 ZINC001319657684 1328940956 /nfs/dbraw/zinc/94/09/56/1328940956.db2.gz SWEPOIKQADPZEQ-WOJBJXKFSA-N 2 1 347.547 2.785 10 30 EFEEMP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C1CCCCC1 ZINC001319670065 1328946336 /nfs/dbraw/zinc/94/63/36/1328946336.db2.gz XDTJDRSPWORSNT-MOPGFXCFSA-N 2 1 333.520 2.539 10 30 EFEEMP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001316644401 1321568790 /nfs/dbraw/zinc/56/87/90/1321568790.db2.gz PGFVRRJHKIABKF-ZCNNSNEGSA-N 2 1 343.515 2.733 10 30 EFEEMP C=CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001319860812 1329017462 /nfs/dbraw/zinc/01/74/62/1329017462.db2.gz ISPBZZFTSISKEW-SJLPKXTDSA-N 2 1 332.492 2.765 10 30 EFEEMP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001491958434 1324076716 /nfs/dbraw/zinc/07/67/16/1324076716.db2.gz DDRQCSCWHCNILD-HXUWFJFHSA-N 2 1 347.547 2.997 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001316702286 1324650238 /nfs/dbraw/zinc/65/02/38/1324650238.db2.gz XSUVWZJAYMJCBD-CVEARBPZSA-N 2 1 348.491 2.533 10 30 EFEEMP N#Cc1ccc(OCCC[NH+]2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC001308073858 1324792028 /nfs/dbraw/zinc/79/20/28/1324792028.db2.gz VHZDSWZVFHKTIZ-UHFFFAOYSA-N 2 1 343.471 2.560 10 30 EFEEMP C=C(C)CC[N@@H+](C)CCCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001316848733 1325216546 /nfs/dbraw/zinc/21/65/46/1325216546.db2.gz AGJAKEMNIUYOHH-UXHICEINSA-N 2 1 343.515 2.736 10 30 EFEEMP C=C(C)CC[NH+](C)CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001316848733 1325216551 /nfs/dbraw/zinc/21/65/51/1325216551.db2.gz AGJAKEMNIUYOHH-UXHICEINSA-N 2 1 343.515 2.736 10 30 EFEEMP C=C(C)CC[NH+](C)CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001316848733 1325216557 /nfs/dbraw/zinc/21/65/57/1325216557.db2.gz AGJAKEMNIUYOHH-UXHICEINSA-N 2 1 343.515 2.736 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001316986345 1325448970 /nfs/dbraw/zinc/44/89/70/1325448970.db2.gz CWUUKVDKWPAKKY-ROUUACIJSA-N 2 1 344.503 2.691 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001316986345 1325448978 /nfs/dbraw/zinc/44/89/78/1325448978.db2.gz CWUUKVDKWPAKKY-ROUUACIJSA-N 2 1 344.503 2.691 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001316986343 1325449273 /nfs/dbraw/zinc/44/92/73/1325449273.db2.gz CWUUKVDKWPAKKY-MSOLQXFVSA-N 2 1 344.503 2.691 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001316986343 1325449280 /nfs/dbraw/zinc/44/92/80/1325449280.db2.gz CWUUKVDKWPAKKY-MSOLQXFVSA-N 2 1 344.503 2.691 10 30 EFEEMP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001317040372 1325508262 /nfs/dbraw/zinc/50/82/62/1325508262.db2.gz CVXBNDFDSKASKG-RBUKOAKNSA-N 2 1 335.536 2.997 10 30 EFEEMP CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001317099807 1325563923 /nfs/dbraw/zinc/56/39/23/1325563923.db2.gz JVMBDHUFQUZJTL-WOJBJXKFSA-N 2 1 345.531 2.589 10 30 EFEEMP C=CCCCCC[N@H+]1CCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001317176070 1327684935 /nfs/dbraw/zinc/68/49/35/1327684935.db2.gz JETRUEQEXCYVLM-GOSISDBHSA-N 2 1 333.520 2.799 10 30 EFEEMP C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001317176428 1327688133 /nfs/dbraw/zinc/68/81/33/1327688133.db2.gz BWNYUVJDRLWDRT-QZTJIDSGSA-N 2 1 344.503 2.691 10 30 EFEEMP C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001317176428 1327688143 /nfs/dbraw/zinc/68/81/43/1327688143.db2.gz BWNYUVJDRLWDRT-QZTJIDSGSA-N 2 1 344.503 2.691 10 30 EFEEMP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001317191623 1327711249 /nfs/dbraw/zinc/71/12/49/1327711249.db2.gz IPHSGXBGLGJEHM-QFBILLFUSA-N 2 1 339.499 2.746 10 30 EFEEMP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001317199682 1327726125 /nfs/dbraw/zinc/72/61/25/1327726125.db2.gz MMZDMMWLYOYIHU-RBUKOAKNSA-N 2 1 329.488 2.836 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC/C=C\CCC)CC1 ZINC001317216499 1327760477 /nfs/dbraw/zinc/76/04/77/1327760477.db2.gz AVYKYARROBYMNS-JSEXARSYSA-N 2 1 345.531 2.847 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC/C=C\CCC)CC1 ZINC001317216499 1327760485 /nfs/dbraw/zinc/76/04/85/1327760485.db2.gz AVYKYARROBYMNS-JSEXARSYSA-N 2 1 345.531 2.847 10 30 EFEEMP C=C(C)C[NH2+]C1CCC(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001317218775 1327763279 /nfs/dbraw/zinc/76/32/79/1327763279.db2.gz WIOWBRDHWUEPKA-KLAILNCOSA-N 2 1 332.492 2.990 10 30 EFEEMP CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001317358096 1327892072 /nfs/dbraw/zinc/89/20/72/1327892072.db2.gz MGZGPCKMAHUGPQ-DLBZAZTESA-N 2 1 333.520 2.680 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CCCC2CCC2)C1 ZINC001317373923 1327918305 /nfs/dbraw/zinc/91/83/05/1327918305.db2.gz AFISEWSWBZVBGO-PMACEKPBSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001317373923 1327918311 /nfs/dbraw/zinc/91/83/11/1327918311.db2.gz AFISEWSWBZVBGO-PMACEKPBSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCCC2CCC2)C1 ZINC001317373923 1327918318 /nfs/dbraw/zinc/91/83/18/1327918318.db2.gz AFISEWSWBZVBGO-PMACEKPBSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCCC2CCC2)C1 ZINC001317373923 1327918322 /nfs/dbraw/zinc/91/83/22/1327918322.db2.gz AFISEWSWBZVBGO-PMACEKPBSA-N 2 1 345.531 2.587 10 30 EFEEMP CCC[N@@H+](C)CC(=O)NCC[C@@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001317411102 1327960624 /nfs/dbraw/zinc/96/06/24/1327960624.db2.gz BKEWKGFPKOYNRB-MRXNPFEDSA-N 2 1 349.906 2.518 10 30 EFEEMP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001317423639 1327987373 /nfs/dbraw/zinc/98/73/73/1327987373.db2.gz ODALYJKJYAZXMD-ROUUACIJSA-N 2 1 344.503 2.781 10 30 EFEEMP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001317423639 1327987379 /nfs/dbraw/zinc/98/73/79/1327987379.db2.gz ODALYJKJYAZXMD-ROUUACIJSA-N 2 1 344.503 2.781 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001317436613 1328025546 /nfs/dbraw/zinc/02/55/46/1328025546.db2.gz ZCGCEKKTOGRLCX-HOTGVXAUSA-N 2 1 329.916 2.686 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CCC)[C@H](C)c1ccccc1 ZINC001317541322 1328126565 /nfs/dbraw/zinc/12/65/65/1328126565.db2.gz UQAKVORYDMUMAZ-QUCCMNQESA-N 2 1 341.499 2.673 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CCC)[C@H](C)c1ccccc1 ZINC001317541322 1328126570 /nfs/dbraw/zinc/12/65/70/1328126570.db2.gz UQAKVORYDMUMAZ-QUCCMNQESA-N 2 1 341.499 2.673 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)[C@H](C)c1ccccc1 ZINC001317541322 1328126577 /nfs/dbraw/zinc/12/65/77/1328126577.db2.gz UQAKVORYDMUMAZ-QUCCMNQESA-N 2 1 341.499 2.673 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)[C@H](C)c1ccccc1 ZINC001317541322 1328126583 /nfs/dbraw/zinc/12/65/83/1328126583.db2.gz UQAKVORYDMUMAZ-QUCCMNQESA-N 2 1 341.499 2.673 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CCCC(C)C)CC1 ZINC001317685325 1328288026 /nfs/dbraw/zinc/28/80/26/1328288026.db2.gz GMRKEKOHUTYUNN-QUCCMNQESA-N 2 1 347.547 2.737 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CCCC(C)C)CC1 ZINC001317685325 1328288038 /nfs/dbraw/zinc/28/80/38/1328288038.db2.gz GMRKEKOHUTYUNN-QUCCMNQESA-N 2 1 347.547 2.737 10 30 EFEEMP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)c1ccc(C(C)C)cc1 ZINC001317711273 1328319392 /nfs/dbraw/zinc/31/93/92/1328319392.db2.gz LJOOZUJMXZIAEE-UXHICEINSA-N 2 1 341.499 2.674 10 30 EFEEMP C#CC[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)c1ccccc1 ZINC001317728483 1328337402 /nfs/dbraw/zinc/33/74/02/1328337402.db2.gz MSEZOEQLXIZWCY-WOJBJXKFSA-N 2 1 341.499 2.577 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N(CCC)[C@H]2CC[N@@H+](CC=C(C)C)C2)CC1 ZINC001317770735 1328367930 /nfs/dbraw/zinc/36/79/30/1328367930.db2.gz ATIOLEDHWRWJNM-FQEVSTJZSA-N 2 1 345.531 2.611 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001317796810 1328386657 /nfs/dbraw/zinc/38/66/57/1328386657.db2.gz GIFZMYILPLCFQX-MSOLQXFVSA-N 2 1 344.503 2.548 10 30 EFEEMP 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C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001317842714 1328411798 /nfs/dbraw/zinc/41/17/98/1328411798.db2.gz XTRHDNIBZXXXGN-KRWDZBQOSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)C[NH+](C)C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001317842714 1328411804 /nfs/dbraw/zinc/41/18/04/1328411804.db2.gz XTRHDNIBZXXXGN-KRWDZBQOSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)C[NH+](C)C[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001317842714 1328411808 /nfs/dbraw/zinc/41/18/08/1328411808.db2.gz XTRHDNIBZXXXGN-KRWDZBQOSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001317842695 1328412814 /nfs/dbraw/zinc/41/28/14/1328412814.db2.gz XJNOAUBPNHMQCE-GOSISDBHSA-N 2 1 333.520 2.609 10 30 EFEEMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001317848497 1328416090 /nfs/dbraw/zinc/41/60/90/1328416090.db2.gz MTIFTUYRHZXRCM-ICSRJNTNSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001317848497 1328416094 /nfs/dbraw/zinc/41/60/94/1328416094.db2.gz MTIFTUYRHZXRCM-ICSRJNTNSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001317848497 1328416097 /nfs/dbraw/zinc/41/60/97/1328416097.db2.gz MTIFTUYRHZXRCM-ICSRJNTNSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001317848495 1328416658 /nfs/dbraw/zinc/41/66/58/1328416658.db2.gz MTIFTUYRHZXRCM-AZUAARDMSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001317848495 1328416661 /nfs/dbraw/zinc/41/66/61/1328416661.db2.gz MTIFTUYRHZXRCM-AZUAARDMSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001317848495 1328416666 /nfs/dbraw/zinc/41/66/66/1328416666.db2.gz MTIFTUYRHZXRCM-AZUAARDMSA-N 2 1 345.531 2.587 10 30 EFEEMP CCCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001317935849 1328447512 /nfs/dbraw/zinc/44/75/12/1328447512.db2.gz KELCRPLKRDYJJL-QZTJIDSGSA-N 2 1 346.519 2.997 10 30 EFEEMP CC#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001323645066 1329558658 /nfs/dbraw/zinc/55/86/58/1329558658.db2.gz XKGPNNDGGODQCH-PMACEKPBSA-N 2 1 345.531 2.589 10 30 EFEEMP C#CCN(C(=O)CC[C@H]1CCC[N@H+]1C)C1CC[NH+](CCCC)CC1 ZINC001324395974 1329623316 /nfs/dbraw/zinc/62/33/16/1329623316.db2.gz KMTIXZLLKNNWGP-GOSISDBHSA-N 2 1 333.520 2.587 10 30 EFEEMP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1ccc2ccccc2c1 ZINC001324440228 1329628001 /nfs/dbraw/zinc/62/80/01/1329628001.db2.gz BSAIIYMJLYZWEG-UXHICEINSA-N 2 1 337.467 2.867 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CCCC1)C1CCCC1 ZINC001324483371 1329632014 /nfs/dbraw/zinc/63/20/14/1329632014.db2.gz RPYGWBHWSPEDRR-PMACEKPBSA-N 2 1 345.531 2.539 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CCCC1)C1CCCC1 ZINC001324483371 1329632016 /nfs/dbraw/zinc/63/20/16/1329632016.db2.gz RPYGWBHWSPEDRR-PMACEKPBSA-N 2 1 345.531 2.539 10 30 EFEEMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001324556713 1329639305 /nfs/dbraw/zinc/63/93/05/1329639305.db2.gz KXHSKCKWRPLZNJ-AZUAARDMSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001324555597 1329639408 /nfs/dbraw/zinc/63/94/08/1329639408.db2.gz AFLSKDSMVUTGQI-HXUWFJFHSA-N 2 1 333.520 2.753 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001324958162 1329663144 /nfs/dbraw/zinc/66/31/44/1329663144.db2.gz PNWBDSSZCUGNRG-QUCCMNQESA-N 2 1 335.536 2.903 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001324958162 1329663146 /nfs/dbraw/zinc/66/31/46/1329663146.db2.gz PNWBDSSZCUGNRG-QUCCMNQESA-N 2 1 335.536 2.903 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001324958162 1329663148 /nfs/dbraw/zinc/66/31/48/1329663148.db2.gz PNWBDSSZCUGNRG-QUCCMNQESA-N 2 1 335.536 2.903 10 30 EFEEMP C=C(C)C[NH2+][C@H](CNC(=O)Cn1c[nH+]cc1C)c1ccccc1CC ZINC001325366562 1329683266 /nfs/dbraw/zinc/68/32/66/1329683266.db2.gz NRZADAYDAQOMBQ-LJQANCHMSA-N 2 1 340.471 2.777 10 30 EFEEMP C=C(Cl)C[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001325694144 1329706794 /nfs/dbraw/zinc/70/67/94/1329706794.db2.gz SAIAANMWPBKYLC-GOSISDBHSA-N 2 1 349.906 2.842 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001325916385 1329723863 /nfs/dbraw/zinc/72/38/63/1329723863.db2.gz IMAPASZTIYQTDJ-OALUTQOASA-N 2 1 333.520 2.894 10 30 EFEEMP C=CCCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@H+](C)CC(C)(C)C ZINC001325918983 1329724104 /nfs/dbraw/zinc/72/41/04/1329724104.db2.gz FZWSTGYXWTVNHB-MSOLQXFVSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001325918983 1329724106 /nfs/dbraw/zinc/72/41/06/1329724106.db2.gz FZWSTGYXWTVNHB-MSOLQXFVSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001325918983 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/nfs/dbraw/zinc/30/94/37/1330309437.db2.gz FZIZEWQKHOVPMB-WTGUMLROSA-N 2 1 345.531 2.703 10 30 EFEEMP C=CCCCCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001326598479 1330324787 /nfs/dbraw/zinc/32/47/87/1330324787.db2.gz JORVCUHYIFACPS-LJQANCHMSA-N 2 1 347.547 2.999 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001327307403 1330457199 /nfs/dbraw/zinc/45/71/99/1330457199.db2.gz CEHRSJDNOCXAGB-RTBURBONSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001327307403 1330457201 /nfs/dbraw/zinc/45/72/01/1330457201.db2.gz CEHRSJDNOCXAGB-RTBURBONSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001327307403 1330457208 /nfs/dbraw/zinc/45/72/08/1330457208.db2.gz CEHRSJDNOCXAGB-RTBURBONSA-N 2 1 335.536 2.997 10 30 EFEEMP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001327456179 1330481530 /nfs/dbraw/zinc/48/15/30/1330481530.db2.gz XZGCRXDPZBHEST-IBGZPJMESA-N 2 1 345.531 2.778 10 30 EFEEMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001327540198 1330496670 /nfs/dbraw/zinc/49/66/70/1330496670.db2.gz HDFCMLLVGVHNIZ-OAQYLSRUSA-N 2 1 345.531 2.590 10 30 EFEEMP C=CC[C@@]1(C(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)CCC[NH2+]1 ZINC001327601205 1330499749 /nfs/dbraw/zinc/49/97/49/1330499749.db2.gz JADXEQQZQXTHRE-NRFANRHFSA-N 2 1 341.499 2.728 10 30 EFEEMP C=CCCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCC[N@@H+]3C)cc2C1 ZINC001327694811 1330509931 /nfs/dbraw/zinc/50/99/31/1330509931.db2.gz DDYLQWFCVYMDKF-LJQANCHMSA-N 2 1 327.472 2.679 10 30 EFEEMP C=CCCC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3C)cc2C1 ZINC001327694811 1330509933 /nfs/dbraw/zinc/50/99/33/1330509933.db2.gz DDYLQWFCVYMDKF-LJQANCHMSA-N 2 1 327.472 2.679 10 30 EFEEMP C=CCCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3C)cc2C1 ZINC001327694811 1330509935 /nfs/dbraw/zinc/50/99/35/1330509935.db2.gz DDYLQWFCVYMDKF-LJQANCHMSA-N 2 1 327.472 2.679 10 30 EFEEMP C=CC[N@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001328082714 1330552253 /nfs/dbraw/zinc/55/22/53/1330552253.db2.gz PNZJLBPDWLYNGZ-JKSUJKDBSA-N 2 1 332.492 2.799 10 30 EFEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001328082714 1330552257 /nfs/dbraw/zinc/55/22/57/1330552257.db2.gz PNZJLBPDWLYNGZ-JKSUJKDBSA-N 2 1 332.492 2.799 10 30 EFEEMP C=CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001328469889 1330594800 /nfs/dbraw/zinc/59/48/00/1330594800.db2.gz SUCAXHQFKAGRKN-LJQANCHMSA-N 2 1 329.488 2.620 10 30 EFEEMP C=CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)CC[N@H+](C)CCC ZINC001328469889 1330594802 /nfs/dbraw/zinc/59/48/02/1330594802.db2.gz SUCAXHQFKAGRKN-LJQANCHMSA-N 2 1 329.488 2.620 10 30 EFEEMP C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001328469889 1330594804 /nfs/dbraw/zinc/59/48/04/1330594804.db2.gz SUCAXHQFKAGRKN-LJQANCHMSA-N 2 1 329.488 2.620 10 30 EFEEMP C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001328469889 1330594808 /nfs/dbraw/zinc/59/48/08/1330594808.db2.gz SUCAXHQFKAGRKN-LJQANCHMSA-N 2 1 329.488 2.620 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](CC)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001328588876 1330606461 /nfs/dbraw/zinc/60/64/61/1330606461.db2.gz ODHPFJXOXUZZRJ-SFHVURJKSA-N 2 1 335.536 2.997 10 30 EFEEMP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CCCC[NH+](C)C)CC2)C1 ZINC001328811773 1330636852 /nfs/dbraw/zinc/63/68/52/1330636852.db2.gz FQZBQHYZEDVTNM-HXUWFJFHSA-N 2 1 347.547 2.692 10 30 EFEEMP C=CCCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001328811325 1330636888 /nfs/dbraw/zinc/63/68/88/1330636888.db2.gz ALJBACYVCTZXNB-VQTJNVASSA-N 2 1 347.547 2.855 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001328811325 1330636891 /nfs/dbraw/zinc/63/68/91/1330636891.db2.gz ALJBACYVCTZXNB-VQTJNVASSA-N 2 1 347.547 2.855 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001328811325 1330636899 /nfs/dbraw/zinc/63/68/99/1330636899.db2.gz ALJBACYVCTZXNB-VQTJNVASSA-N 2 1 347.547 2.855 10 30 EFEEMP C=CCCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC001330512198 1330763598 /nfs/dbraw/zinc/76/35/98/1330763598.db2.gz NCRZSPAUBQXUSM-MOPGFXCFSA-N 2 1 345.531 2.894 10 30 EFEEMP C=CCCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C2)C1 ZINC001330512198 1330763602 /nfs/dbraw/zinc/76/36/02/1330763602.db2.gz NCRZSPAUBQXUSM-MOPGFXCFSA-N 2 1 345.531 2.894 10 30 EFEEMP C=CCCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)C1 ZINC001330512198 1330763604 /nfs/dbraw/zinc/76/36/04/1330763604.db2.gz NCRZSPAUBQXUSM-MOPGFXCFSA-N 2 1 345.531 2.894 10 30 EFEEMP C#CC[NH2+]CCC[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001331175883 1330802208 /nfs/dbraw/zinc/80/22/08/1330802208.db2.gz DPGYHCMPHCSGKS-UXHICEINSA-N 2 1 341.499 2.720 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001331318314 1330821070 /nfs/dbraw/zinc/82/10/70/1330821070.db2.gz KHTQRNSDJPRJKL-PKOBYXMFSA-N 2 1 344.503 2.547 10 30 EFEEMP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001331559416 1330852326 /nfs/dbraw/zinc/85/23/26/1330852326.db2.gz FFPKMBHIEOQZPG-MAUKXSAKSA-N 2 1 327.488 2.602 10 30 EFEEMP C=CCCC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@H]12 ZINC001332089817 1330916572 /nfs/dbraw/zinc/91/65/72/1330916572.db2.gz KSKQESZMWAJFAE-DMUMMCEESA-N 2 1 333.520 2.796 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@H]12 ZINC001332089817 1330916575 /nfs/dbraw/zinc/91/65/75/1330916575.db2.gz KSKQESZMWAJFAE-DMUMMCEESA-N 2 1 333.520 2.796 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@H]12 ZINC001332089817 1330916576 /nfs/dbraw/zinc/91/65/76/1330916576.db2.gz KSKQESZMWAJFAE-DMUMMCEESA-N 2 1 333.520 2.796 10 30 EFEEMP C#CCC[N@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CCCCC3)CCC[C@H]12 ZINC001332099842 1330918907 /nfs/dbraw/zinc/91/89/07/1330918907.db2.gz LAWVYCMESNZVLI-GHTZIAJQSA-N 2 1 345.531 2.635 10 30 EFEEMP C=CCCCCC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001332118285 1330924076 /nfs/dbraw/zinc/92/40/76/1330924076.db2.gz NRDVNFDMJAFJQY-NLWGTHIKSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001332118285 1330924077 /nfs/dbraw/zinc/92/40/77/1330924077.db2.gz NRDVNFDMJAFJQY-NLWGTHIKSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001332118285 1330924080 /nfs/dbraw/zinc/92/40/80/1330924080.db2.gz NRDVNFDMJAFJQY-NLWGTHIKSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1(C)C ZINC001332424718 1330970477 /nfs/dbraw/zinc/97/04/77/1330970477.db2.gz UYPALISRTKFPPB-DNVCBOLYSA-N 2 1 339.499 2.602 10 30 EFEEMP C=C(C)C[NH+]1CC=C(CNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001333378107 1331129063 /nfs/dbraw/zinc/12/90/63/1331129063.db2.gz KVMMFSCLLJJTLW-UHFFFAOYSA-N 2 1 333.520 2.965 10 30 EFEEMP C=C(C)C[N@H+]1CC=C(CNC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001333378107 1331129065 /nfs/dbraw/zinc/12/90/65/1331129065.db2.gz KVMMFSCLLJJTLW-UHFFFAOYSA-N 2 1 333.520 2.965 10 30 EFEEMP C=C(C)C[N@@H+]1CC=C(CNC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001333378107 1331129067 /nfs/dbraw/zinc/12/90/67/1331129067.db2.gz KVMMFSCLLJJTLW-UHFFFAOYSA-N 2 1 333.520 2.965 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](CC/C=C\CC)C2)CC1 ZINC001480272688 1333516716 /nfs/dbraw/zinc/51/67/16/1333516716.db2.gz YAMPXVSSUYSYHL-VOFKWLDRSA-N 2 1 345.531 2.516 10 30 EFEEMP Cc1nccn1-c1ccc(-c2noc([C@H]([NH3+])CCCCC#N)n2)cn1 ZINC000848620888 1334815054 /nfs/dbraw/zinc/81/50/54/1334815054.db2.gz HFLMWJUSMHKLDF-CQSZACIVSA-N 2 1 337.387 2.710 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001366777087 1337996063 /nfs/dbraw/zinc/99/60/63/1337996063.db2.gz AYARCUXOKFWYEV-WBVHZDCISA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CCCC1 ZINC001367321175 1338618604 /nfs/dbraw/zinc/61/86/04/1338618604.db2.gz DFLMVHCCGSYGAD-CVEARBPZSA-N 2 1 339.911 2.774 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001368192307 1339246825 /nfs/dbraw/zinc/24/68/25/1339246825.db2.gz CXQJKLJKYRRQEG-WMZOPIPTSA-N 2 1 341.927 2.689 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001368215257 1339261361 /nfs/dbraw/zinc/26/13/61/1339261361.db2.gz CNRRLZOXXQDLCX-WMZOPIPTSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001368215257 1339261364 /nfs/dbraw/zinc/26/13/64/1339261364.db2.gz CNRRLZOXXQDLCX-WMZOPIPTSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001368215257 1339261367 /nfs/dbraw/zinc/26/13/67/1339261367.db2.gz CNRRLZOXXQDLCX-WMZOPIPTSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001368215257 1339261369 /nfs/dbraw/zinc/26/13/69/1339261369.db2.gz CNRRLZOXXQDLCX-WMZOPIPTSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CCC1 ZINC001368489968 1339427131 /nfs/dbraw/zinc/42/71/31/1339427131.db2.gz NUGVLIITIHYCCL-QGZVFWFLSA-N 2 1 345.890 2.580 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001373038492 1340881604 /nfs/dbraw/zinc/88/16/04/1340881604.db2.gz CYBMGJQLVWLRPS-RDJZCZTQSA-N 2 1 335.879 2.528 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001373038492 1340881606 /nfs/dbraw/zinc/88/16/06/1340881606.db2.gz CYBMGJQLVWLRPS-RDJZCZTQSA-N 2 1 335.879 2.528 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001373312434 1340986493 /nfs/dbraw/zinc/98/64/93/1340986493.db2.gz LQSZLGUSEBNSGU-FUHWJXTLSA-N 2 1 349.906 2.822 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001373312434 1340986494 /nfs/dbraw/zinc/98/64/94/1340986494.db2.gz LQSZLGUSEBNSGU-FUHWJXTLSA-N 2 1 349.906 2.822 10 30 EFEEMP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)cc1 ZINC001373929666 1341208843 /nfs/dbraw/zinc/20/88/43/1341208843.db2.gz GXYLJVINTDEKFT-ZWKOTPCHSA-N 2 1 349.906 2.875 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001374437751 1341921229 /nfs/dbraw/zinc/92/12/29/1341921229.db2.gz DSGNZWXPAHGYFA-JKSUJKDBSA-N 2 1 329.916 2.732 10 30 EFEEMP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001375917437 1343165233 /nfs/dbraw/zinc/16/52/33/1343165233.db2.gz LYAUQGUHTXKVKJ-INIZCTEOSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001377030898 1344076632 /nfs/dbraw/zinc/07/66/32/1344076632.db2.gz JEXWSWXYOBYMBJ-IAGOWNOFSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)CN[C@H](CNC(=O)[C@@H]1CCCCN1C)c1ccccc1 ZINC001377621048 1344230098 /nfs/dbraw/zinc/23/00/98/1344230098.db2.gz KPOBQRFQBMCQOG-SJORKVTESA-N 2 1 335.879 2.670 10 30 EFEEMP C=C(Cl)CN[C@@H](CNC(=O)[C@H]1CCCCN1C)c1ccccc1 ZINC001377621031 1344230172 /nfs/dbraw/zinc/23/01/72/1344230172.db2.gz KPOBQRFQBMCQOG-DLBZAZTESA-N 2 1 335.879 2.670 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001377643058 1344254488 /nfs/dbraw/zinc/25/44/88/1344254488.db2.gz VIFXCZYYNMOZHK-HZPDHXFCSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001377643058 1344254494 /nfs/dbraw/zinc/25/44/94/1344254494.db2.gz VIFXCZYYNMOZHK-HZPDHXFCSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001377643058 1344254499 /nfs/dbraw/zinc/25/44/99/1344254499.db2.gz VIFXCZYYNMOZHK-HZPDHXFCSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001377643058 1344254505 /nfs/dbraw/zinc/25/45/05/1344254505.db2.gz VIFXCZYYNMOZHK-HZPDHXFCSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001377764637 1344414876 /nfs/dbraw/zinc/41/48/76/1344414876.db2.gz JFQVGPBNUGXFFW-IAGOWNOFSA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001377764637 1344414878 /nfs/dbraw/zinc/41/48/78/1344414878.db2.gz JFQVGPBNUGXFFW-IAGOWNOFSA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001377764637 1344414881 /nfs/dbraw/zinc/41/48/81/1344414881.db2.gz JFQVGPBNUGXFFW-IAGOWNOFSA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(C)C ZINC001378372872 1345021120 /nfs/dbraw/zinc/02/11/20/1345021120.db2.gz QFGQPRIZNAKESJ-YESZJQIVSA-N 2 1 343.943 2.932 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001379612151 1345926666 /nfs/dbraw/zinc/92/66/66/1345926666.db2.gz CXVHDBLTCAIPNN-AEFFLSMTSA-N 2 1 339.911 2.728 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001379612151 1345926667 /nfs/dbraw/zinc/92/66/67/1345926667.db2.gz CXVHDBLTCAIPNN-AEFFLSMTSA-N 2 1 339.911 2.728 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[N@H+](C)CCC)C2 ZINC001381033484 1348034853 /nfs/dbraw/zinc/03/48/53/1348034853.db2.gz URYQOIGRLHQAOP-GOSISDBHSA-N 2 1 341.927 2.785 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)CCC)C2 ZINC001381033484 1348034854 /nfs/dbraw/zinc/03/48/54/1348034854.db2.gz URYQOIGRLHQAOP-GOSISDBHSA-N 2 1 341.927 2.785 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)CCC)C2 ZINC001381033484 1348034859 /nfs/dbraw/zinc/03/48/59/1348034859.db2.gz URYQOIGRLHQAOP-GOSISDBHSA-N 2 1 341.927 2.785 10 30 EFEEMP C=C(Cl)CN1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C(C)(C)C1 ZINC001381869634 1348580599 /nfs/dbraw/zinc/58/05/99/1348580599.db2.gz GQLOYUBYVMYARC-AWEZNQCLSA-N 2 1 329.916 2.543 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001390171472 1353890281 /nfs/dbraw/zinc/89/02/81/1353890281.db2.gz UTQIHKSDCSKRES-DLBZAZTESA-N 2 1 341.927 2.925 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001390171472 1353890284 /nfs/dbraw/zinc/89/02/84/1353890284.db2.gz UTQIHKSDCSKRES-DLBZAZTESA-N 2 1 341.927 2.925 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001390171472 1353890290 /nfs/dbraw/zinc/89/02/90/1353890290.db2.gz UTQIHKSDCSKRES-DLBZAZTESA-N 2 1 341.927 2.925 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001390171472 1353890296 /nfs/dbraw/zinc/89/02/96/1353890296.db2.gz UTQIHKSDCSKRES-DLBZAZTESA-N 2 1 341.927 2.925 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@]1(NC(=O)C[N@H+](C)C(C)C)CCCC[C@@H]1C ZINC001391812060 1355554991 /nfs/dbraw/zinc/55/49/91/1355554991.db2.gz QNMRYDIXLAOHHR-WMLDXEAASA-N 2 1 329.916 2.734 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001398447651 1360565236 /nfs/dbraw/zinc/56/52/36/1360565236.db2.gz CPEMIBHEURJHHU-IRXDYDNUSA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001398447651 1360565239 /nfs/dbraw/zinc/56/52/39/1360565239.db2.gz CPEMIBHEURJHHU-IRXDYDNUSA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001398447651 1360565244 /nfs/dbraw/zinc/56/52/44/1360565244.db2.gz CPEMIBHEURJHHU-IRXDYDNUSA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001398469579 1360585629 /nfs/dbraw/zinc/58/56/29/1360585629.db2.gz WUNSTHXDRMLHMD-IAGOWNOFSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001398469579 1360585631 /nfs/dbraw/zinc/58/56/31/1360585631.db2.gz WUNSTHXDRMLHMD-IAGOWNOFSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001401249855 1362589587 /nfs/dbraw/zinc/58/95/87/1362589587.db2.gz BZCHGVSLJZCSLB-WBVHZDCISA-N 2 1 337.895 2.868 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001401249851 1362589641 /nfs/dbraw/zinc/58/96/41/1362589641.db2.gz BZCHGVSLJZCSLB-NVXWUHKLSA-N 2 1 337.895 2.868 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001402526959 1363761257 /nfs/dbraw/zinc/76/12/57/1363761257.db2.gz LECBLCBLGRMWOJ-HZPDHXFCSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001402784872 1364032690 /nfs/dbraw/zinc/03/26/90/1364032690.db2.gz XMDWYZYPWJHFOQ-GASCZTMLSA-N 2 1 327.900 2.582 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001402950227 1364156590 /nfs/dbraw/zinc/15/65/90/1364156590.db2.gz YMBSMAKWJDEHHY-SJORKVTESA-N 2 1 341.927 2.640 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001402950227 1364156593 /nfs/dbraw/zinc/15/65/93/1364156593.db2.gz YMBSMAKWJDEHHY-SJORKVTESA-N 2 1 341.927 2.640 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001402950227 1364156595 /nfs/dbraw/zinc/15/65/95/1364156595.db2.gz YMBSMAKWJDEHHY-SJORKVTESA-N 2 1 341.927 2.640 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001403525547 1364731412 /nfs/dbraw/zinc/73/14/12/1364731412.db2.gz LCUILOAMMCYUPW-DLBZAZTESA-N 2 1 341.927 2.828 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001403594827 1364798443 /nfs/dbraw/zinc/79/84/43/1364798443.db2.gz JVMVGFHDAKHWRG-WBVHZDCISA-N 2 1 341.927 2.973 10 30 EFEEMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001403987577 1365136810 /nfs/dbraw/zinc/13/68/10/1365136810.db2.gz QYCFMCUEVXFEDL-OAHLLOKOSA-N 2 1 343.943 2.934 10 30 EFEEMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001403987577 1365136814 /nfs/dbraw/zinc/13/68/14/1365136814.db2.gz QYCFMCUEVXFEDL-OAHLLOKOSA-N 2 1 343.943 2.934 10 30 EFEEMP C=C(Cl)CN1CC[C@H](N(CCC)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001437888946 1388179556 /nfs/dbraw/zinc/17/95/56/1388179556.db2.gz GLPZVNDXIQNMCV-SJORKVTESA-N 2 1 341.927 2.926 10 30 EFEEMP C=C(Cl)CN1CC[C@@H](N(CCC)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001437888933 1388179938 /nfs/dbraw/zinc/17/99/38/1388179938.db2.gz GLPZVNDXIQNMCV-IAGOWNOFSA-N 2 1 341.927 2.926 10 30 EFEEMP C=C(Cl)CN1CC[C@@H](N(CCC)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001437888927 1388180072 /nfs/dbraw/zinc/18/00/72/1388180072.db2.gz GLPZVNDXIQNMCV-DLBZAZTESA-N 2 1 341.927 2.926 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001418931136 1374696737 /nfs/dbraw/zinc/69/67/37/1374696737.db2.gz CXKSVGRODACVDR-DLBZAZTESA-N 2 1 341.927 2.641 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001418931136 1374696739 /nfs/dbraw/zinc/69/67/39/1374696739.db2.gz CXKSVGRODACVDR-DLBZAZTESA-N 2 1 341.927 2.641 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001418931136 1374696742 /nfs/dbraw/zinc/69/67/42/1374696742.db2.gz CXKSVGRODACVDR-DLBZAZTESA-N 2 1 341.927 2.641 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001418931142 1374697326 /nfs/dbraw/zinc/69/73/26/1374697326.db2.gz CXKSVGRODACVDR-SJORKVTESA-N 2 1 341.927 2.641 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001418931142 1374697328 /nfs/dbraw/zinc/69/73/28/1374697328.db2.gz CXKSVGRODACVDR-SJORKVTESA-N 2 1 341.927 2.641 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001418931142 1374697331 /nfs/dbraw/zinc/69/73/31/1374697331.db2.gz CXKSVGRODACVDR-SJORKVTESA-N 2 1 341.927 2.641 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001419578852 1375473832 /nfs/dbraw/zinc/47/38/32/1375473832.db2.gz KDVHQKXOCYUJGZ-DLBZAZTESA-N 2 1 341.927 2.689 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001419626025 1375574366 /nfs/dbraw/zinc/57/43/66/1375574366.db2.gz RPHBMYSRQSCBDH-HZPDHXFCSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001419714625 1375759383 /nfs/dbraw/zinc/75/93/83/1375759383.db2.gz BBRWDWDATXICNF-WBVHZDCISA-N 2 1 341.927 2.973 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001438296974 1388490403 /nfs/dbraw/zinc/49/04/03/1388490403.db2.gz BMPVSRSTIFOHOA-CVEARBPZSA-N 2 1 341.927 2.878 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001421008277 1378014745 /nfs/dbraw/zinc/01/47/45/1378014745.db2.gz PYJBWPOXRZPEOS-IRXDYDNUSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001421008277 1378014747 /nfs/dbraw/zinc/01/47/47/1378014747.db2.gz PYJBWPOXRZPEOS-IRXDYDNUSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001421652115 1378949228 /nfs/dbraw/zinc/94/92/28/1378949228.db2.gz UKFNZUIYGHLKCO-SJORKVTESA-N 2 1 335.879 2.622 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@]1(NC(=O)Cn2c[nH+]cc2C)CCCC[C@H]1C ZINC001438434652 1388597582 /nfs/dbraw/zinc/59/75/82/1388597582.db2.gz YTDBIEWBQUEOPZ-DYVFJYSZSA-N 2 1 338.883 2.599 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC001423052982 1381275449 /nfs/dbraw/zinc/27/54/49/1381275449.db2.gz DQAHHSROWHBFCW-IAGOWNOFSA-N 2 1 335.879 2.526 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001423686039 1382288413 /nfs/dbraw/zinc/28/84/13/1382288413.db2.gz JAPWKZDVASTBGW-DOTOQJQBSA-N 2 1 347.906 2.637 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001423686039 1382288419 /nfs/dbraw/zinc/28/84/19/1382288419.db2.gz JAPWKZDVASTBGW-DOTOQJQBSA-N 2 1 347.906 2.637 10 30 EFEEMP C=CC[NH+]1C[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C(C)(C)C1 ZINC001506749516 1406247919 /nfs/dbraw/zinc/24/79/19/1406247919.db2.gz GGABCEFTELYVIK-ROUUACIJSA-N 2 1 329.488 2.692 10 30 EFEEMP C=CC[NH+]1C[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C(C)(C)C1 ZINC001506749516 1406247926 /nfs/dbraw/zinc/24/79/26/1406247926.db2.gz GGABCEFTELYVIK-ROUUACIJSA-N 2 1 329.488 2.692 10 30 EFEEMP C=CC[N@H+]1C[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C(C)(C)C1 ZINC001506749516 1406247930 /nfs/dbraw/zinc/24/79/30/1406247930.db2.gz GGABCEFTELYVIK-ROUUACIJSA-N 2 1 329.488 2.692 10 30 EFEEMP C=CC[N@@H+]1C[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C(C)(C)C1 ZINC001506749516 1406247935 /nfs/dbraw/zinc/24/79/35/1406247935.db2.gz GGABCEFTELYVIK-ROUUACIJSA-N 2 1 329.488 2.692 10 30 EFEEMP C=CCCCCC[N@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001506866749 1406377018 /nfs/dbraw/zinc/37/70/18/1406377018.db2.gz SYDPLXWPLJPKLS-UHFFFAOYSA-N 2 1 344.503 2.862 10 30 EFEEMP C=CCCCCC[N@@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001506866749 1406377028 /nfs/dbraw/zinc/37/70/28/1406377028.db2.gz SYDPLXWPLJPKLS-UHFFFAOYSA-N 2 1 344.503 2.862 10 30 EFEEMP C=C(Cl)CN(C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001440219917 1389450132 /nfs/dbraw/zinc/45/01/32/1389450132.db2.gz RQUVDVRPFQPNIU-SFHVURJKSA-N 2 1 349.906 2.971 10 30 EFEEMP C=C(Cl)CN(C)Cc1ccccc1CNC(=O)[C@@H]1CCCCN1C ZINC001440219917 1389450135 /nfs/dbraw/zinc/45/01/35/1389450135.db2.gz RQUVDVRPFQPNIU-SFHVURJKSA-N 2 1 349.906 2.971 10 30 EFEEMP C=CCC[C@H](C)[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+](C)C(C)C)C[C@@]2(C)C1 ZINC001506870527 1406389478 /nfs/dbraw/zinc/38/94/78/1406389478.db2.gz QSLKSMIDJKIGOL-YSIASYRMSA-N 2 1 335.536 2.852 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)C(C)C)C[C@@]2(C)C1 ZINC001506870527 1406389487 /nfs/dbraw/zinc/38/94/87/1406389487.db2.gz QSLKSMIDJKIGOL-YSIASYRMSA-N 2 1 335.536 2.852 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)C(C)C)C[C@@]2(C)C1 ZINC001506870527 1406389497 /nfs/dbraw/zinc/38/94/97/1406389497.db2.gz QSLKSMIDJKIGOL-YSIASYRMSA-N 2 1 335.536 2.852 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@@H]2[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)[C@H]21 ZINC001440436427 1389634692 /nfs/dbraw/zinc/63/46/92/1389634692.db2.gz FQSPDRYZUUARKF-PVAVHDDUSA-N 2 1 341.927 2.686 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)[C@H]21 ZINC001440436427 1389634697 /nfs/dbraw/zinc/63/46/97/1389634697.db2.gz FQSPDRYZUUARKF-PVAVHDDUSA-N 2 1 341.927 2.686 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001441121913 1391116294 /nfs/dbraw/zinc/11/62/94/1391116294.db2.gz VAIRSEHPTDZBRT-JYJNAYRXSA-N 2 1 329.916 2.734 10 30 EFEEMP C=CCCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001506960490 1406506148 /nfs/dbraw/zinc/50/61/48/1406506148.db2.gz JRXCDTSMAOIFRZ-QGZVFWFLSA-N 2 1 344.503 2.643 10 30 EFEEMP C=CCCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001506960490 1406506151 /nfs/dbraw/zinc/50/61/51/1406506151.db2.gz JRXCDTSMAOIFRZ-QGZVFWFLSA-N 2 1 344.503 2.643 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001446944361 1391642940 /nfs/dbraw/zinc/64/29/40/1391642940.db2.gz VRLBODPSCHDMOW-QAPCUYQASA-N 2 1 349.906 2.555 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001446944361 1391642943 /nfs/dbraw/zinc/64/29/43/1391642943.db2.gz VRLBODPSCHDMOW-QAPCUYQASA-N 2 1 349.906 2.555 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1)C(C)C ZINC001448217907 1392025229 /nfs/dbraw/zinc/02/52/29/1392025229.db2.gz PAPZIGHZOOQZSN-GOEBONIOSA-N 2 1 329.916 2.543 10 30 EFEEMP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001507021944 1406602164 /nfs/dbraw/zinc/60/21/64/1406602164.db2.gz JAHFYTKMNZJYDJ-MOPGFXCFSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CC[C@@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001460362717 1396029956 /nfs/dbraw/zinc/02/99/56/1396029956.db2.gz OIGPUMCEUQOHCY-MJGOQNOKSA-N 2 1 329.488 2.694 10 30 EFEEMP C=CCNC(=O)C[NH2+]C[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001461992285 1396414661 /nfs/dbraw/zinc/41/46/61/1396414661.db2.gz DUEZMZVZRZYVQU-NRFANRHFSA-N 2 1 343.515 2.817 10 30 EFEEMP C=CCNC(=O)C[NH2+]C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001461992285 1396414663 /nfs/dbraw/zinc/41/46/63/1396414663.db2.gz DUEZMZVZRZYVQU-NRFANRHFSA-N 2 1 343.515 2.817 10 30 EFEEMP C#Cc1ccc(NC(=O)CC[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC001473193540 1397289212 /nfs/dbraw/zinc/28/92/12/1397289212.db2.gz WEZWQGAZJVGKRL-LJQANCHMSA-N 2 1 327.472 2.803 10 30 EFEEMP C#Cc1ccc(NC(=O)CC[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC001473193540 1397289214 /nfs/dbraw/zinc/28/92/14/1397289214.db2.gz WEZWQGAZJVGKRL-LJQANCHMSA-N 2 1 327.472 2.803 10 30 EFEEMP C#Cc1ccc(NC(=O)CC[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC001473193540 1397289218 /nfs/dbraw/zinc/28/92/18/1397289218.db2.gz WEZWQGAZJVGKRL-LJQANCHMSA-N 2 1 327.472 2.803 10 30 EFEEMP C=CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001479504476 1397739576 /nfs/dbraw/zinc/73/95/76/1397739576.db2.gz RLRMPJBLAVMRGZ-ROUUACIJSA-N 2 1 333.520 2.607 10 30 EFEEMP CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001479695238 1397767320 /nfs/dbraw/zinc/76/73/20/1397767320.db2.gz JOQACLYXGGMAFQ-PMACEKPBSA-N 2 1 341.499 2.673 10 30 EFEEMP C=CCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001479735783 1397789672 /nfs/dbraw/zinc/78/96/72/1397789672.db2.gz FATNFHRSKUEIBE-INIZCTEOSA-N 2 1 348.491 2.629 10 30 EFEEMP C=CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001479735783 1397789675 /nfs/dbraw/zinc/78/96/75/1397789675.db2.gz FATNFHRSKUEIBE-INIZCTEOSA-N 2 1 348.491 2.629 10 30 EFEEMP C=CCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001479890844 1398004918 /nfs/dbraw/zinc/00/49/18/1398004918.db2.gz DXUWKFSOMLYXGU-QGZVFWFLSA-N 2 1 344.503 2.643 10 30 EFEEMP CCCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001479962120 1398048157 /nfs/dbraw/zinc/04/81/57/1398048157.db2.gz WENOVPLFUMTJOB-MSOLQXFVSA-N 2 1 346.519 2.915 10 30 EFEEMP CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001479962120 1398048160 /nfs/dbraw/zinc/04/81/60/1398048160.db2.gz WENOVPLFUMTJOB-MSOLQXFVSA-N 2 1 346.519 2.915 10 30 EFEEMP C=CCC[NH+]1CCC(N(CCC)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001479993175 1398078854 /nfs/dbraw/zinc/07/88/54/1398078854.db2.gz LRRIYWHQVZWLFL-UHFFFAOYSA-N 2 1 348.491 2.629 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001480154948 1398129750 /nfs/dbraw/zinc/12/97/50/1398129750.db2.gz DFKWPEIUHMMVEX-ZHALLVOQSA-N 2 1 333.520 2.987 10 30 EFEEMP C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001480189840 1398158909 /nfs/dbraw/zinc/15/89/09/1398158909.db2.gz SVHDHTQCQXBEPF-WOJBJXKFSA-N 2 1 345.531 2.589 10 30 EFEEMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001480665958 1398272111 /nfs/dbraw/zinc/27/21/11/1398272111.db2.gz QKZVQPFCQKOTBI-LPHOPBHVSA-N 2 1 339.499 2.603 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@H]12 ZINC001507355563 1406943201 /nfs/dbraw/zinc/94/32/01/1406943201.db2.gz LANOXZLXJANBDR-ICSRJNTNSA-N 2 1 333.520 2.942 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001507356462 1406944399 /nfs/dbraw/zinc/94/43/99/1406944399.db2.gz PNDCXYCOFUTZCF-QUCCMNQESA-N 2 1 333.520 2.942 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC)CC2CCC(C)CC2)CC1 ZINC001493062342 1398406045 /nfs/dbraw/zinc/40/60/45/1398406045.db2.gz NINRNLYHJBWXCP-UHFFFAOYSA-N 2 1 347.547 2.596 10 30 EFEEMP CCCCCCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001493205204 1398530861 /nfs/dbraw/zinc/53/08/61/1398530861.db2.gz CXHOPLYIPCBFEN-HKUYNNGSSA-N 2 1 335.536 2.737 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](CC/C=C\CCC)C2)CC1 ZINC001493266345 1398575000 /nfs/dbraw/zinc/57/50/00/1398575000.db2.gz FGHHZWZSLBRAMR-RURPWVQCSA-N 2 1 345.531 2.516 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001493271410 1398578076 /nfs/dbraw/zinc/57/80/76/1398578076.db2.gz QMWCBQHDPJPTRI-IBGZPJMESA-N 2 1 329.488 2.523 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001493271410 1398578079 /nfs/dbraw/zinc/57/80/79/1398578079.db2.gz QMWCBQHDPJPTRI-IBGZPJMESA-N 2 1 329.488 2.523 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001493271410 1398578082 /nfs/dbraw/zinc/57/80/82/1398578082.db2.gz QMWCBQHDPJPTRI-IBGZPJMESA-N 2 1 329.488 2.523 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001493271410 1398578086 /nfs/dbraw/zinc/57/80/86/1398578086.db2.gz QMWCBQHDPJPTRI-IBGZPJMESA-N 2 1 329.488 2.523 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CCC)CCC(C)(C)C)CC1 ZINC001493334708 1398621230 /nfs/dbraw/zinc/62/12/30/1398621230.db2.gz XXHQPUHZXANAFD-UHFFFAOYSA-N 2 1 335.536 2.596 10 30 EFEEMP C=CCCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC001493889483 1398955928 /nfs/dbraw/zinc/95/59/28/1398955928.db2.gz SGIXDSWIQMAXNX-QRQLOZEOSA-N 2 1 329.488 2.740 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCCCC)[C@@H]2C)CC1 ZINC001507388839 1407001007 /nfs/dbraw/zinc/00/10/07/1407001007.db2.gz VDGHMCVPSXRXPD-UYAOXDASSA-N 2 1 347.547 2.881 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001494055637 1399095471 /nfs/dbraw/zinc/09/54/71/1399095471.db2.gz IJXWLLZFOQIAGB-QGZVFWFLSA-N 2 1 332.492 2.801 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001494055637 1399095475 /nfs/dbraw/zinc/09/54/75/1399095475.db2.gz IJXWLLZFOQIAGB-QGZVFWFLSA-N 2 1 332.492 2.801 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001494146553 1399166568 /nfs/dbraw/zinc/16/65/68/1399166568.db2.gz VAYLMZKQUGNODW-OALUTQOASA-N 2 1 347.547 2.997 10 30 EFEEMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001494154616 1399172374 /nfs/dbraw/zinc/17/23/74/1399172374.db2.gz PJOVRYQRXIKRNW-IEBWSBKVSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001494154616 1399172375 /nfs/dbraw/zinc/17/23/75/1399172375.db2.gz PJOVRYQRXIKRNW-IEBWSBKVSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001494154616 1399172376 /nfs/dbraw/zinc/17/23/76/1399172376.db2.gz PJOVRYQRXIKRNW-IEBWSBKVSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001494158028 1399174192 /nfs/dbraw/zinc/17/41/92/1399174192.db2.gz WAUSKFYAWDWDQF-QZTJIDSGSA-N 2 1 344.503 2.500 10 30 EFEEMP C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001494158028 1399174193 /nfs/dbraw/zinc/17/41/93/1399174193.db2.gz WAUSKFYAWDWDQF-QZTJIDSGSA-N 2 1 344.503 2.500 10 30 EFEEMP C=CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001494195846 1399203447 /nfs/dbraw/zinc/20/34/47/1399203447.db2.gz MVVHUWAWFOCXNG-RBUKOAKNSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001494195846 1399203450 /nfs/dbraw/zinc/20/34/50/1399203450.db2.gz MVVHUWAWFOCXNG-RBUKOAKNSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001494195846 1399203452 /nfs/dbraw/zinc/20/34/52/1399203452.db2.gz MVVHUWAWFOCXNG-RBUKOAKNSA-N 2 1 335.536 2.853 10 30 EFEEMP C#CC[N@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001494205543 1399212391 /nfs/dbraw/zinc/21/23/91/1399212391.db2.gz RMCDPDYRYXVCNI-HXUWFJFHSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CC[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001494205543 1399212395 /nfs/dbraw/zinc/21/23/95/1399212395.db2.gz RMCDPDYRYXVCNI-HXUWFJFHSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CC[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001494205543 1399212397 /nfs/dbraw/zinc/21/23/97/1399212397.db2.gz RMCDPDYRYXVCNI-HXUWFJFHSA-N 2 1 345.531 2.587 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001494317535 1399277639 /nfs/dbraw/zinc/27/76/39/1399277639.db2.gz JZMUXGNWVYVJLM-IRXDYDNUSA-N 2 1 332.492 2.943 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001494317535 1399277642 /nfs/dbraw/zinc/27/76/42/1399277642.db2.gz JZMUXGNWVYVJLM-IRXDYDNUSA-N 2 1 332.492 2.943 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001494915933 1399554631 /nfs/dbraw/zinc/55/46/31/1399554631.db2.gz BIGVWIWIHTWAAJ-SFHVURJKSA-N 2 1 332.492 2.861 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001494915933 1399554632 /nfs/dbraw/zinc/55/46/32/1399554632.db2.gz BIGVWIWIHTWAAJ-SFHVURJKSA-N 2 1 332.492 2.861 10 30 EFEEMP C=CCCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1(C)C ZINC001507443308 1407058915 /nfs/dbraw/zinc/05/89/15/1407058915.db2.gz OBMWRCYNARGOFA-AEFFLSMTSA-N 2 1 344.503 2.547 10 30 EFEEMP C=CCCC[NH2+]C[C@@]1(NC(=O)Cn2c[nH+]cc2C)CCCC[C@@H]1C ZINC001495320965 1399841062 /nfs/dbraw/zinc/84/10/62/1399841062.db2.gz MSSDXUKIPWRBNR-LPHOPBHVSA-N 2 1 332.492 2.812 10 30 EFEEMP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001495361534 1399906123 /nfs/dbraw/zinc/90/61/23/1399906123.db2.gz YUYNONLEZUGZAF-MOPGFXCFSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)CC[NH2+]CCC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001495425014 1399969014 /nfs/dbraw/zinc/96/90/14/1399969014.db2.gz CAMIOLMJTLVDGJ-HKUYNNGSSA-N 2 1 335.536 2.901 10 30 EFEEMP C#CCC[NH2+]CCC1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001495437190 1399979845 /nfs/dbraw/zinc/97/98/45/1399979845.db2.gz HECKDLSFKOAKBS-FQEVSTJZSA-N 2 1 341.499 2.531 10 30 EFEEMP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001495461984 1400000044 /nfs/dbraw/zinc/00/00/44/1400000044.db2.gz HRXWTZQMZBPCLO-JYJNAYRXSA-N 2 1 348.491 2.722 10 30 EFEEMP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001495489438 1400022740 /nfs/dbraw/zinc/02/27/40/1400022740.db2.gz SLDAZBZJNKCNAE-VQIMIIECSA-N 2 1 329.488 2.699 10 30 EFEEMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)cc1 ZINC001495491724 1400025755 /nfs/dbraw/zinc/02/57/55/1400025755.db2.gz KOSHBRWBTADJBP-IBGZPJMESA-N 2 1 329.488 2.700 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C)CC2 ZINC001495598823 1400106846 /nfs/dbraw/zinc/10/68/46/1400106846.db2.gz LGZCJFGOZRWQDV-MSOLQXFVSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C)CC2 ZINC001495598823 1400106850 /nfs/dbraw/zinc/10/68/50/1400106850.db2.gz LGZCJFGOZRWQDV-MSOLQXFVSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C)CC2 ZINC001495598823 1400106853 /nfs/dbraw/zinc/10/68/53/1400106853.db2.gz LGZCJFGOZRWQDV-MSOLQXFVSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+](C)Cc1ccccc1)CC2 ZINC001495605891 1400114401 /nfs/dbraw/zinc/11/44/01/1400114401.db2.gz LOMURBPLVXRFAQ-UHFFFAOYSA-N 2 1 341.499 2.619 10 30 EFEEMP C=CC[NH+]1CCC2(C1)CCN(C(=O)C[N@H+](C)Cc1ccccc1)CC2 ZINC001495605891 1400114408 /nfs/dbraw/zinc/11/44/08/1400114408.db2.gz LOMURBPLVXRFAQ-UHFFFAOYSA-N 2 1 341.499 2.619 10 30 EFEEMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)Cc1ccccc1)CC2 ZINC001495605891 1400114417 /nfs/dbraw/zinc/11/44/17/1400114417.db2.gz LOMURBPLVXRFAQ-UHFFFAOYSA-N 2 1 341.499 2.619 10 30 EFEEMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)Cc1ccccc1)CC2 ZINC001495605891 1400114423 /nfs/dbraw/zinc/11/44/23/1400114423.db2.gz 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C=CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001716896522 1419084220 /nfs/dbraw/zinc/08/42/20/1419084220.db2.gz UMMVNSVIIJARPU-AZUAARDMSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001716896522 1419084221 /nfs/dbraw/zinc/08/42/21/1419084221.db2.gz UMMVNSVIIJARPU-AZUAARDMSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001716896522 1419084224 /nfs/dbraw/zinc/08/42/24/1419084224.db2.gz UMMVNSVIIJARPU-AZUAARDMSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001716901121 1419086751 /nfs/dbraw/zinc/08/67/51/1419086751.db2.gz BIJNFLQDPQUAOS-MJGOQNOKSA-N 2 1 333.520 2.655 10 30 EFEEMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)C2 ZINC001716998121 1419134002 /nfs/dbraw/zinc/13/40/02/1419134002.db2.gz IZUPCVDLJMYEAX-BCDXTJNWSA-N 2 1 333.520 2.796 10 30 EFEEMP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001717002446 1419137970 /nfs/dbraw/zinc/13/79/70/1419137970.db2.gz ULABHOOFQYEZLM-MUGJNUQGSA-N 2 1 345.531 2.539 10 30 EFEEMP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001717036507 1419169277 /nfs/dbraw/zinc/16/92/77/1419169277.db2.gz URKWCMLTFACUSO-PMACEKPBSA-N 2 1 345.531 2.730 10 30 EFEEMP CC#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001717036507 1419169280 /nfs/dbraw/zinc/16/92/80/1419169280.db2.gz URKWCMLTFACUSO-PMACEKPBSA-N 2 1 345.531 2.730 10 30 EFEEMP CC#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001717036507 1419169283 /nfs/dbraw/zinc/16/92/83/1419169283.db2.gz URKWCMLTFACUSO-PMACEKPBSA-N 2 1 345.531 2.730 10 30 EFEEMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001717036854 1419169476 /nfs/dbraw/zinc/16/94/76/1419169476.db2.gz HDUMJTCYBVNXDI-VAMGGRTRSA-N 2 1 341.499 2.931 10 30 EFEEMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001717036854 1419169478 /nfs/dbraw/zinc/16/94/78/1419169478.db2.gz HDUMJTCYBVNXDI-VAMGGRTRSA-N 2 1 341.499 2.931 10 30 EFEEMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001717036854 1419169481 /nfs/dbraw/zinc/16/94/81/1419169481.db2.gz HDUMJTCYBVNXDI-VAMGGRTRSA-N 2 1 341.499 2.931 10 30 EFEEMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001717036854 1419169484 /nfs/dbraw/zinc/16/94/84/1419169484.db2.gz HDUMJTCYBVNXDI-VAMGGRTRSA-N 2 1 341.499 2.931 10 30 EFEEMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001717123520 1419224930 /nfs/dbraw/zinc/22/49/30/1419224930.db2.gz HBLFNYZDUFCAAC-IYARVYRRSA-N 2 1 333.520 2.539 10 30 EFEEMP C#CCC[N@@H+]1Cc2ccc(CNC(=O)C(C)(C)[NH+]3CCCC3)cc2C1 ZINC001717270466 1419300076 /nfs/dbraw/zinc/30/00/76/1419300076.db2.gz YMHQXNMSWSMMPU-UHFFFAOYSA-N 2 1 339.483 2.516 10 30 EFEEMP C#CCC[N@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001717309650 1419321764 /nfs/dbraw/zinc/32/17/64/1419321764.db2.gz QMYMGZTZRTYAFE-IRXDYDNUSA-N 2 1 344.503 2.637 10 30 EFEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001717309650 1419321767 /nfs/dbraw/zinc/32/17/67/1419321767.db2.gz QMYMGZTZRTYAFE-IRXDYDNUSA-N 2 1 344.503 2.637 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@H](C)c1cccc(C)c1 ZINC001717340923 1419341684 /nfs/dbraw/zinc/34/16/84/1419341684.db2.gz JOGHCPVUESXYQY-NSHGMRRFSA-N 2 1 341.499 2.638 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@H](C)c1cccc(C)c1 ZINC001717340923 1419341686 /nfs/dbraw/zinc/34/16/86/1419341686.db2.gz JOGHCPVUESXYQY-NSHGMRRFSA-N 2 1 341.499 2.638 10 30 EFEEMP C=CCCC[N@H+](CC)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001717356725 1419351434 /nfs/dbraw/zinc/35/14/34/1419351434.db2.gz JHCAQGRRTVNOHC-UHFFFAOYSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001717377241 1419369164 /nfs/dbraw/zinc/36/91/64/1419369164.db2.gz AQXXKXJKZZGKFZ-RTBURBONSA-N 2 1 345.531 2.609 10 30 EFEEMP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001717537521 1419433830 /nfs/dbraw/zinc/43/38/30/1419433830.db2.gz GLOXTIYQTFTJML-DLBZAZTESA-N 2 1 327.488 2.603 10 30 EFEEMP C=CCCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC001717584888 1419456823 /nfs/dbraw/zinc/45/68/23/1419456823.db2.gz FTAKUZHBXZQGPI-AEFFLSMTSA-N 2 1 344.503 2.547 10 30 EFEEMP C=CCCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC001717584888 1419456824 /nfs/dbraw/zinc/45/68/24/1419456824.db2.gz FTAKUZHBXZQGPI-AEFFLSMTSA-N 2 1 344.503 2.547 10 30 EFEEMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC001717584890 1419457050 /nfs/dbraw/zinc/45/70/50/1419457050.db2.gz FTAKUZHBXZQGPI-SJLPKXTDSA-N 2 1 344.503 2.547 10 30 EFEEMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC001717584890 1419457053 /nfs/dbraw/zinc/45/70/53/1419457053.db2.gz FTAKUZHBXZQGPI-SJLPKXTDSA-N 2 1 344.503 2.547 10 30 EFEEMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001717629072 1419477873 /nfs/dbraw/zinc/47/78/73/1419477873.db2.gz JKILMCBCCYPPNG-SFHVURJKSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001717647891 1419486609 /nfs/dbraw/zinc/48/66/09/1419486609.db2.gz IIDHPQHKQIRKDR-VDHUWJSZSA-N 2 1 344.503 2.593 10 30 EFEEMP C=C(C)CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001717703446 1419517006 /nfs/dbraw/zinc/51/70/06/1419517006.db2.gz RJJFRMHXYDDZFE-KRWDZBQOSA-N 2 1 344.503 2.643 10 30 EFEEMP C=C(C)CC[N@H+](C)C1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001717703446 1419517008 /nfs/dbraw/zinc/51/70/08/1419517008.db2.gz RJJFRMHXYDDZFE-KRWDZBQOSA-N 2 1 344.503 2.643 10 30 EFEEMP CC#CC[N@H+](C)C1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001717706228 1419518873 /nfs/dbraw/zinc/51/88/73/1419518873.db2.gz XITVNBLRAQIHJL-UHFFFAOYSA-N 2 1 345.487 2.681 10 30 EFEEMP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001717743392 1419533078 /nfs/dbraw/zinc/53/30/78/1419533078.db2.gz FYUSTRXVJBVPSJ-SXLOBPIMSA-N 2 1 343.515 2.735 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C(F)(F)F ZINC001717909511 1419615273 /nfs/dbraw/zinc/61/52/73/1419615273.db2.gz RRBDTXKRSBDVOP-LSDHHAIUSA-N 2 1 349.441 2.521 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C(C)(C)C ZINC001717967993 1419633838 /nfs/dbraw/zinc/63/38/38/1419633838.db2.gz QCYQPQUYGMZFON-WMZOPIPTSA-N 2 1 346.519 2.841 10 30 EFEEMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001717998373 1419648798 /nfs/dbraw/zinc/64/87/98/1419648798.db2.gz FZHYXZBDQMJNNA-ACBHZAAOSA-N 2 1 329.488 2.835 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001723450970 1424499819 /nfs/dbraw/zinc/49/98/19/1424499819.db2.gz MDEDEPCOUYFNJM-RBUKOAKNSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001723450970 1424499823 /nfs/dbraw/zinc/49/98/23/1424499823.db2.gz MDEDEPCOUYFNJM-RBUKOAKNSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001723450970 1424499828 /nfs/dbraw/zinc/49/98/28/1424499828.db2.gz MDEDEPCOUYFNJM-RBUKOAKNSA-N 2 1 333.520 2.940 10 30 EFEEMP CCCCCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001723456638 1424502909 /nfs/dbraw/zinc/50/29/09/1424502909.db2.gz COXCJXSMAHEDOL-QZTJIDSGSA-N 2 1 346.519 2.915 10 30 EFEEMP CCCCCCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001723456638 1424502915 /nfs/dbraw/zinc/50/29/15/1424502915.db2.gz COXCJXSMAHEDOL-QZTJIDSGSA-N 2 1 346.519 2.915 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001723608678 1424533041 /nfs/dbraw/zinc/53/30/41/1424533041.db2.gz RLEYVBVRCSNNBN-RTBURBONSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)CC[N@H+](C)CCC)CC2)C1 ZINC001723610264 1424535053 /nfs/dbraw/zinc/53/50/53/1424535053.db2.gz WAAWXQJJLZFCQU-LJQANCHMSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+](C)CCC)CC2)C1 ZINC001723610264 1424535060 /nfs/dbraw/zinc/53/50/60/1424535060.db2.gz WAAWXQJJLZFCQU-LJQANCHMSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+](C)CCC)CC2)C1 ZINC001723610264 1424535064 /nfs/dbraw/zinc/53/50/64/1424535064.db2.gz WAAWXQJJLZFCQU-LJQANCHMSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)C[NH+](CC)CC ZINC001723632674 1424540856 /nfs/dbraw/zinc/54/08/56/1424540856.db2.gz LBRUSCVSMUBNJB-SQNIBIBYSA-N 2 1 339.499 2.698 10 30 EFEEMP C#CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CCCC=C)CC1 ZINC001724047200 1424634954 /nfs/dbraw/zinc/63/49/54/1424634954.db2.gz LFJPNYIKHRNUNT-IBGZPJMESA-N 2 1 345.531 2.753 10 30 EFEEMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001724125273 1424666677 /nfs/dbraw/zinc/66/66/77/1424666677.db2.gz CDLWVYMXYCDAMO-PKOBYXMFSA-N 2 1 339.499 2.557 10 30 EFEEMP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001724126746 1424668127 /nfs/dbraw/zinc/66/81/27/1424668127.db2.gz WTBOCJDKSFSCQL-OAQYLSRUSA-N 2 1 347.547 2.692 10 30 EFEEMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001724126746 1424668128 /nfs/dbraw/zinc/66/81/28/1424668128.db2.gz WTBOCJDKSFSCQL-OAQYLSRUSA-N 2 1 347.547 2.692 10 30 EFEEMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001724126746 1424668133 /nfs/dbraw/zinc/66/81/33/1424668133.db2.gz WTBOCJDKSFSCQL-OAQYLSRUSA-N 2 1 347.547 2.692 10 30 EFEEMP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001724239914 1424711321 /nfs/dbraw/zinc/71/13/21/1424711321.db2.gz OLTNAPKOAYDWSL-XLIONFOSSA-N 2 1 344.503 2.548 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001724285618 1424722548 /nfs/dbraw/zinc/72/25/48/1424722548.db2.gz OKGUOPRMTJWCTK-KZNAEPCWSA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001724301990 1424725569 /nfs/dbraw/zinc/72/55/69/1424725569.db2.gz VDAUKVDNABDFEY-QZTJIDSGSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1CC ZINC001724510961 1424776148 /nfs/dbraw/zinc/77/61/48/1424776148.db2.gz CICVYCINRGQBPC-POAQFYNOSA-N 2 1 343.515 2.912 10 30 EFEEMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1CC ZINC001724511105 1424776234 /nfs/dbraw/zinc/77/62/34/1424776234.db2.gz FWDXKBXQXQMZJP-MJGOQNOKSA-N 2 1 329.488 2.524 10 30 EFEEMP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001724613400 1424834460 /nfs/dbraw/zinc/83/44/60/1424834460.db2.gz VKZPYHIHVODDPT-CADBVGFASA-N 2 1 333.520 2.702 10 30 EFEEMP C=CCCCCC[NH+]1C[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2C1 ZINC001724621953 1424847451 /nfs/dbraw/zinc/84/74/51/1424847451.db2.gz DHHOTJYXQWIMPV-HDICACEKSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@H]2C1 ZINC001724621953 1424847459 /nfs/dbraw/zinc/84/74/59/1424847459.db2.gz DHHOTJYXQWIMPV-HDICACEKSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@H]2C1 ZINC001724621953 1424847466 /nfs/dbraw/zinc/84/74/66/1424847466.db2.gz DHHOTJYXQWIMPV-HDICACEKSA-N 2 1 333.520 2.607 10 30 EFEEMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)C[N@H+](C)CCCCCC)C[C@H]2C1 ZINC001724626013 1424851157 /nfs/dbraw/zinc/85/11/57/1424851157.db2.gz ACDNBAHHOQALMU-CALCHBBNSA-N 2 1 341.927 2.641 10 30 EFEEMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)C[NH+](C)CCCCCC)C[C@H]2C1 ZINC001724626013 1424851161 /nfs/dbraw/zinc/85/11/61/1424851161.db2.gz ACDNBAHHOQALMU-CALCHBBNSA-N 2 1 341.927 2.641 10 30 EFEEMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)C[NH+](C)CCCCCC)C[C@H]2C1 ZINC001724626013 1424851168 /nfs/dbraw/zinc/85/11/68/1424851168.db2.gz ACDNBAHHOQALMU-CALCHBBNSA-N 2 1 341.927 2.641 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001724647304 1424875929 /nfs/dbraw/zinc/87/59/29/1424875929.db2.gz IZXTZKBALOVUGE-GUDVDZBRSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CC ZINC001724647304 1424875934 /nfs/dbraw/zinc/87/59/34/1424875934.db2.gz IZXTZKBALOVUGE-GUDVDZBRSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CC ZINC001724647304 1424875937 /nfs/dbraw/zinc/87/59/37/1424875937.db2.gz IZXTZKBALOVUGE-GUDVDZBRSA-N 2 1 333.520 2.892 10 30 EFEEMP C#CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001724738394 1424964229 /nfs/dbraw/zinc/96/42/29/1424964229.db2.gz KYOVPHBIVJMARX-GOSISDBHSA-N 2 1 341.499 2.632 10 30 EFEEMP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001724749569 1424979060 /nfs/dbraw/zinc/97/90/60/1424979060.db2.gz NONWXFFOKOQEEG-XLIONFOSSA-N 2 1 341.499 2.850 10 30 EFEEMP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001724752206 1424981551 /nfs/dbraw/zinc/98/15/51/1424981551.db2.gz PXVOLRYDESFZIG-VJANTYMQSA-N 2 1 333.520 2.844 10 30 EFEEMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)CC1 ZINC001724760007 1424990318 /nfs/dbraw/zinc/99/03/18/1424990318.db2.gz PCTVYHHWUUJRLF-MOPGFXCFSA-N 2 1 345.531 2.894 10 30 EFEEMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CCC1 ZINC001724799364 1425020531 /nfs/dbraw/zinc/02/05/31/1425020531.db2.gz SXAJPVMHZVUUBM-GOSISDBHSA-N 2 1 329.488 2.884 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001724898094 1425116158 /nfs/dbraw/zinc/11/61/58/1425116158.db2.gz LSTMRLNXFBZFFR-ICSRJNTNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001724970082 1425178240 /nfs/dbraw/zinc/17/82/40/1425178240.db2.gz LAOJRSKQIRJUHT-QZTJIDSGSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCCCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001724970082 1425178233 /nfs/dbraw/zinc/17/82/33/1425178233.db2.gz LAOJRSKQIRJUHT-QZTJIDSGSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001724970082 1425178237 /nfs/dbraw/zinc/17/82/37/1425178237.db2.gz LAOJRSKQIRJUHT-QZTJIDSGSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cnc2C)C[C@H]1C ZINC001724997970 1425208992 /nfs/dbraw/zinc/20/89/92/1425208992.db2.gz BLDACGAKVDQZBL-WBVHZDCISA-N 2 1 332.492 2.976 10 30 EFEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001725039166 1425250373 /nfs/dbraw/zinc/25/03/73/1425250373.db2.gz CBZBXMVHIPKCNR-KRWDZBQOSA-N 2 1 326.444 2.755 10 30 EFEEMP CC#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001725050616 1425261693 /nfs/dbraw/zinc/26/16/93/1425261693.db2.gz BKPBULAHGMYCQR-VQTJNVASSA-N 2 1 341.499 2.626 10 30 EFEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001725050616 1425261700 /nfs/dbraw/zinc/26/17/00/1425261700.db2.gz BKPBULAHGMYCQR-VQTJNVASSA-N 2 1 341.499 2.626 10 30 EFEEMP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001725050616 1425261704 /nfs/dbraw/zinc/26/17/04/1425261704.db2.gz BKPBULAHGMYCQR-VQTJNVASSA-N 2 1 341.499 2.626 10 30 EFEEMP C=CCCC[NH+](C)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001725180436 1425359599 /nfs/dbraw/zinc/35/95/99/1425359599.db2.gz LPSIOJSGPAMJGP-RLLQIKCJSA-N 2 1 343.515 2.735 10 30 EFEEMP C=CCCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001725180436 1425359604 /nfs/dbraw/zinc/35/96/04/1425359604.db2.gz LPSIOJSGPAMJGP-RLLQIKCJSA-N 2 1 343.515 2.735 10 30 EFEEMP C=CCCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001725180436 1425359607 /nfs/dbraw/zinc/35/96/07/1425359607.db2.gz LPSIOJSGPAMJGP-RLLQIKCJSA-N 2 1 343.515 2.735 10 30 EFEEMP C#CCC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001725211006 1425380333 /nfs/dbraw/zinc/38/03/33/1425380333.db2.gz AQRHUTOILCDKQW-OALUTQOASA-N 2 1 335.536 2.735 10 30 EFEEMP C#CCC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001725211010 1425380529 /nfs/dbraw/zinc/38/05/29/1425380529.db2.gz AQRHUTOILCDKQW-RTBURBONSA-N 2 1 335.536 2.735 10 30 EFEEMP C=C(C)CC[NH2+]CC1(NC(=O)c2cc(C[NH+](C)C)on2)CCCCC1 ZINC001725223939 1425391236 /nfs/dbraw/zinc/39/12/36/1425391236.db2.gz PTGPFRLQHOSYNJ-UHFFFAOYSA-N 2 1 348.491 2.725 10 30 EFEEMP C=C(C)C[NH2+]CC1(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CCCCC1 ZINC001725229093 1425394208 /nfs/dbraw/zinc/39/42/08/1425394208.db2.gz YNUKRJRLYJUBEC-KRWDZBQOSA-N 2 1 344.503 2.739 10 30 EFEEMP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001725251206 1425415307 /nfs/dbraw/zinc/41/53/07/1425415307.db2.gz BGYQAYIMPFWGEK-QFBILLFUSA-N 2 1 333.520 2.796 10 30 EFEEMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001725271056 1425427626 /nfs/dbraw/zinc/42/76/26/1425427626.db2.gz XYVJAOVHPIRTSC-QFBILLFUSA-N 2 1 329.488 2.692 10 30 EFEEMP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3sccc3C[NH+](C)C)[C@@H]2C1 ZINC001725306971 1425457124 /nfs/dbraw/zinc/45/71/24/1425457124.db2.gz LWSCNYKPVZKYNB-OSYLJGHBSA-N 2 1 347.528 2.684 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001725312522 1425460153 /nfs/dbraw/zinc/46/01/53/1425460153.db2.gz QRYNCBPCYXECGP-TVFCKZIOSA-N 2 1 344.503 2.655 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001725312522 1425460156 /nfs/dbraw/zinc/46/01/56/1425460156.db2.gz QRYNCBPCYXECGP-TVFCKZIOSA-N 2 1 344.503 2.655 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001725312526 1425460177 /nfs/dbraw/zinc/46/01/77/1425460177.db2.gz QRYNCBPCYXECGP-XLAORIBOSA-N 2 1 344.503 2.655 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001725312526 1425460181 /nfs/dbraw/zinc/46/01/81/1425460181.db2.gz QRYNCBPCYXECGP-XLAORIBOSA-N 2 1 344.503 2.655 10 30 EFEEMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001725322674 1425467090 /nfs/dbraw/zinc/46/70/90/1425467090.db2.gz VQNPQMSHKVPRBT-LDLYASANSA-N 2 1 333.520 2.513 10 30 EFEEMP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001725336663 1425481240 /nfs/dbraw/zinc/48/12/40/1425481240.db2.gz VNVPZBTUMGOTSD-IPMKNSEASA-N 2 1 333.520 2.655 10 30 EFEEMP C#CCC[NH2+][C@H](CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC001725442708 1425584974 /nfs/dbraw/zinc/58/49/74/1425584974.db2.gz LYBNQNDTDLZMJD-AZUAARDMSA-N 2 1 347.547 2.785 10 30 EFEEMP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001725454793 1425591924 /nfs/dbraw/zinc/59/19/24/1425591924.db2.gz QZJVWAQIRPATNJ-IEBWSBKVSA-N 2 1 333.520 2.654 10 30 EFEEMP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C(C)(C)C ZINC001725739882 1425808338 /nfs/dbraw/zinc/80/83/38/1425808338.db2.gz NGNVTIWXURWAOW-ZWKOTPCHSA-N 2 1 333.520 2.537 10 30 EFEEMP C=CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC000941158239 727875490 /nfs/dbraw/zinc/87/54/90/727875490.db2.gz MCPHHBYDXJOMAZ-IBGZPJMESA-N 2 1 347.547 2.901 10 30 EFEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000941236966 727925743 /nfs/dbraw/zinc/92/57/43/727925743.db2.gz DPYICNPDPBOBCP-LJQANCHMSA-N 2 1 341.499 2.602 10 30 EFEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000940780210 728249983 /nfs/dbraw/zinc/24/99/83/728249983.db2.gz LOLOLLMVDWNRDY-MRXNPFEDSA-N 2 1 347.528 2.663 10 30 EFEEMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940801942 728251988 /nfs/dbraw/zinc/25/19/88/728251988.db2.gz ZZAAYLSMQOXKNY-ROUUACIJSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000940801942 728251992 /nfs/dbraw/zinc/25/19/92/728251992.db2.gz ZZAAYLSMQOXKNY-ROUUACIJSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940801942 728251996 /nfs/dbraw/zinc/25/19/96/728251996.db2.gz ZZAAYLSMQOXKNY-ROUUACIJSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000940859148 728297156 /nfs/dbraw/zinc/29/71/56/728297156.db2.gz RYAALPCRDBOGBX-ZWKOTPCHSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940859148 728297158 /nfs/dbraw/zinc/29/71/58/728297158.db2.gz RYAALPCRDBOGBX-ZWKOTPCHSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940859148 728297163 /nfs/dbraw/zinc/29/71/63/728297163.db2.gz RYAALPCRDBOGBX-ZWKOTPCHSA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000940942587 728341731 /nfs/dbraw/zinc/34/17/31/728341731.db2.gz FKXZFABEEZSXRW-OAHLLOKOSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000940942587 728341734 /nfs/dbraw/zinc/34/17/34/728341734.db2.gz FKXZFABEEZSXRW-OAHLLOKOSA-N 2 1 341.927 2.830 10 30 EFEEMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940971719 728344523 /nfs/dbraw/zinc/34/45/23/728344523.db2.gz ARJYTGHRDJKTSW-OALUTQOASA-N 2 1 345.531 2.633 10 30 EFEEMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000940971719 728344524 /nfs/dbraw/zinc/34/45/24/728344524.db2.gz ARJYTGHRDJKTSW-OALUTQOASA-N 2 1 345.531 2.633 10 30 EFEEMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940971719 728344525 /nfs/dbraw/zinc/34/45/25/728344525.db2.gz ARJYTGHRDJKTSW-OALUTQOASA-N 2 1 345.531 2.633 10 30 EFEEMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000940972262 728344559 /nfs/dbraw/zinc/34/45/59/728344559.db2.gz KEESVERHDRLGGA-ROUUACIJSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000940972262 728344560 /nfs/dbraw/zinc/34/45/60/728344560.db2.gz KEESVERHDRLGGA-ROUUACIJSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000940972262 728344562 /nfs/dbraw/zinc/34/45/62/728344562.db2.gz KEESVERHDRLGGA-ROUUACIJSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000940988591 728360923 /nfs/dbraw/zinc/36/09/23/728360923.db2.gz UOXGTTSNLCTTIF-FUHWJXTLSA-N 2 1 344.503 2.547 10 30 EFEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000940988591 728360925 /nfs/dbraw/zinc/36/09/25/728360925.db2.gz UOXGTTSNLCTTIF-FUHWJXTLSA-N 2 1 344.503 2.547 10 30 EFEEMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000941033998 728376505 /nfs/dbraw/zinc/37/65/05/728376505.db2.gz ZHEGTYNVWINYCQ-SJLPKXTDSA-N 2 1 344.503 2.547 10 30 EFEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000941033998 728376507 /nfs/dbraw/zinc/37/65/07/728376507.db2.gz ZHEGTYNVWINYCQ-SJLPKXTDSA-N 2 1 344.503 2.547 10 30 EFEEMP C=CCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000941067575 728389579 /nfs/dbraw/zinc/38/95/79/728389579.db2.gz FCNZSTQZGVYDKL-MRXNPFEDSA-N 2 1 332.492 2.799 10 30 EFEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000941067575 728389581 /nfs/dbraw/zinc/38/95/81/728389581.db2.gz FCNZSTQZGVYDKL-MRXNPFEDSA-N 2 1 332.492 2.799 10 30 EFEEMP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001569403530 1085184160 /nfs/dbraw/zinc/18/41/60/1085184160.db2.gz PAUYGYZIVDBAPB-FUHWJXTLSA-N 2 1 333.520 2.987 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001569434160 1085203949 /nfs/dbraw/zinc/20/39/49/1085203949.db2.gz HJQYVROYQVCDCE-IBGZPJMESA-N 2 1 335.536 2.855 10 30 EFEEMP C=CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001569452013 1085235759 /nfs/dbraw/zinc/23/57/59/1085235759.db2.gz KWHGITDECJGKQY-RBUKOAKNSA-N 2 1 333.520 2.606 10 30 EFEEMP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001569452013 1085235764 /nfs/dbraw/zinc/23/57/64/1085235764.db2.gz KWHGITDECJGKQY-RBUKOAKNSA-N 2 1 333.520 2.606 10 30 EFEEMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001569452013 1085235771 /nfs/dbraw/zinc/23/57/71/1085235771.db2.gz KWHGITDECJGKQY-RBUKOAKNSA-N 2 1 333.520 2.606 10 30 EFEEMP CC#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001569451608 1085236355 /nfs/dbraw/zinc/23/63/55/1085236355.db2.gz DGACDEDJKHMYPC-HXUWFJFHSA-N 2 1 347.547 2.833 10 30 EFEEMP C#CCN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)C1CC[NH+](CC(C)C)CC1 ZINC001569593899 1085416721 /nfs/dbraw/zinc/41/67/21/1085416721.db2.gz OYCOUXNKDOQXBP-QUCCMNQESA-N 2 1 345.531 2.586 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001569621057 1085447812 /nfs/dbraw/zinc/44/78/12/1085447812.db2.gz ACMQGBBGFQBBHP-ICSRJNTNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001569704508 1085535268 /nfs/dbraw/zinc/53/52/68/1085535268.db2.gz QFKSLAYYGKTVLQ-SFHVURJKSA-N 2 1 335.536 2.903 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCC(C)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001569705883 1085535331 /nfs/dbraw/zinc/53/53/31/1085535331.db2.gz ZKXAWBVBUWRINB-MSOLQXFVSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001569739429 1085578260 /nfs/dbraw/zinc/57/82/60/1085578260.db2.gz WKKRNZLIBWYHHK-CVEARBPZSA-N 2 1 343.462 2.510 10 30 EFEEMP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001569739431 1085580217 /nfs/dbraw/zinc/58/02/17/1085580217.db2.gz WKKRNZLIBWYHHK-HZPDHXFCSA-N 2 1 343.462 2.510 10 30 EFEEMP C=CCCC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001569919118 1085766987 /nfs/dbraw/zinc/76/69/87/1085766987.db2.gz GKMZMQZPDSQRLY-INDMIFKZSA-N 2 1 333.520 2.606 10 30 EFEEMP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001569919118 1085766992 /nfs/dbraw/zinc/76/69/92/1085766992.db2.gz GKMZMQZPDSQRLY-INDMIFKZSA-N 2 1 333.520 2.606 10 30 EFEEMP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001569919118 1085766998 /nfs/dbraw/zinc/76/69/98/1085766998.db2.gz GKMZMQZPDSQRLY-INDMIFKZSA-N 2 1 333.520 2.606 10 30 EFEEMP CC#CC[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001570028185 1085877361 /nfs/dbraw/zinc/87/73/61/1085877361.db2.gz MQQHVVJGJPVDIL-HDICACEKSA-N 2 1 341.499 2.631 10 30 EFEEMP CC#CC[NH+](C)Cc1ccccc1CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001570028185 1085877371 /nfs/dbraw/zinc/87/73/71/1085877371.db2.gz MQQHVVJGJPVDIL-HDICACEKSA-N 2 1 341.499 2.631 10 30 EFEEMP CC#CC[NH+](C)Cc1ccccc1CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001570028185 1085877384 /nfs/dbraw/zinc/87/73/84/1085877384.db2.gz MQQHVVJGJPVDIL-HDICACEKSA-N 2 1 341.499 2.631 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]CC(C)C)cc1 ZINC001570031782 1085883813 /nfs/dbraw/zinc/88/38/13/1085883813.db2.gz UUBNZBYALURGFE-XLIONFOSSA-N 2 1 341.499 2.707 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]CC(C)C)cc1 ZINC001570031782 1085883825 /nfs/dbraw/zinc/88/38/25/1085883825.db2.gz UUBNZBYALURGFE-XLIONFOSSA-N 2 1 341.499 2.707 10 30 EFEEMP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2CC)cc1 ZINC001570033208 1085886114 /nfs/dbraw/zinc/88/61/14/1085886114.db2.gz OMXNQNDFPXKPCI-FXAWDEMLSA-N 2 1 341.499 2.851 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001570185667 1086034111 /nfs/dbraw/zinc/03/41/11/1086034111.db2.gz PLGOKOPBAOEMNG-GOSISDBHSA-N 2 1 332.492 2.909 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001570185667 1086034121 /nfs/dbraw/zinc/03/41/21/1086034121.db2.gz PLGOKOPBAOEMNG-GOSISDBHSA-N 2 1 332.492 2.909 10 30 EFEEMP C=CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001570269088 1086103736 /nfs/dbraw/zinc/10/37/36/1086103736.db2.gz NXWRUBUQTWMSFG-UXHICEINSA-N 2 1 341.499 2.590 10 30 EFEEMP C=CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001570269088 1086103740 /nfs/dbraw/zinc/10/37/40/1086103740.db2.gz NXWRUBUQTWMSFG-UXHICEINSA-N 2 1 341.499 2.590 10 30 EFEEMP C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001570269088 1086103746 /nfs/dbraw/zinc/10/37/46/1086103746.db2.gz NXWRUBUQTWMSFG-UXHICEINSA-N 2 1 341.499 2.590 10 30 EFEEMP C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001570269088 1086103753 /nfs/dbraw/zinc/10/37/53/1086103753.db2.gz NXWRUBUQTWMSFG-UXHICEINSA-N 2 1 341.499 2.590 10 30 EFEEMP C=CCC[NH+]1Cc2ccc(CNC(=O)C[N@H+](C)C3CCC3)cc2C1 ZINC001570312509 1086142487 /nfs/dbraw/zinc/14/24/87/1086142487.db2.gz FMNVBDIVWWQVKO-UHFFFAOYSA-N 2 1 327.472 2.679 10 30 EFEEMP C=CCC[N@H+]1Cc2ccc(CNC(=O)C[NH+](C)C3CCC3)cc2C1 ZINC001570312509 1086142492 /nfs/dbraw/zinc/14/24/92/1086142492.db2.gz FMNVBDIVWWQVKO-UHFFFAOYSA-N 2 1 327.472 2.679 10 30 EFEEMP C=CCC[N@@H+]1Cc2ccc(CNC(=O)C[NH+](C)C3CCC3)cc2C1 ZINC001570312509 1086142498 /nfs/dbraw/zinc/14/24/98/1086142498.db2.gz FMNVBDIVWWQVKO-UHFFFAOYSA-N 2 1 327.472 2.679 10 30 EFEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001570400303 1086205879 /nfs/dbraw/zinc/20/58/79/1086205879.db2.gz WMMOXAGOAUTQNI-QZTJIDSGSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CCCC[NH2+]CC1CC(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001570572183 1086375149 /nfs/dbraw/zinc/37/51/49/1086375149.db2.gz VZDMUVGNWILHOF-LADRWXRNSA-N 2 1 339.499 2.650 10 30 EFEEMP CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001570641510 1086429775 /nfs/dbraw/zinc/42/97/75/1086429775.db2.gz MTNTWQKYPFJCHV-HOTGVXAUSA-N 2 1 349.906 2.516 10 30 EFEEMP C#CC[NH2+]C1CCC(N(C)C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001570661270 1086444151 /nfs/dbraw/zinc/44/41/51/1086444151.db2.gz STBGQMPFEIPJCO-UHFFFAOYSA-N 2 1 333.520 2.632 10 30 EFEEMP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001570859768 1086573557 /nfs/dbraw/zinc/57/35/57/1086573557.db2.gz FEZWUOLIZSNGNX-LPHOPBHVSA-N 2 1 329.488 2.692 10 30 EFEEMP C=CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001571016352 1086642001 /nfs/dbraw/zinc/64/20/01/1086642001.db2.gz SJUZWUHCUSTOEX-KSZLIROESA-N 2 1 333.520 2.654 10 30 EFEEMP C=CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001571016355 1086642601 /nfs/dbraw/zinc/64/26/01/1086642601.db2.gz SJUZWUHCUSTOEX-RCCFBDPRSA-N 2 1 333.520 2.654 10 30 EFEEMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCCn3cc[nH+]c3C)C[C@H]2C1 ZINC001571022335 1086645609 /nfs/dbraw/zinc/64/56/09/1086645609.db2.gz LVEUDYMOHXMFNK-FHWLQOOXSA-N 2 1 344.503 2.765 10 30 EFEEMP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCCn3cc[nH+]c3C)C[C@H]2C1 ZINC001571022335 1086645611 /nfs/dbraw/zinc/64/56/11/1086645611.db2.gz LVEUDYMOHXMFNK-FHWLQOOXSA-N 2 1 344.503 2.765 10 30 EFEEMP C=CC[NH+]1CCCC2(CN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001571039295 1086653204 /nfs/dbraw/zinc/65/32/04/1086653204.db2.gz OYVBCZBIYQGJGP-UHFFFAOYSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CC[N@H+]1CCCC2(CN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001571039295 1086653209 /nfs/dbraw/zinc/65/32/09/1086653209.db2.gz OYVBCZBIYQGJGP-UHFFFAOYSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CC[N@@H+]1CCCC2(CN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001571039295 1086653215 /nfs/dbraw/zinc/65/32/15/1086653215.db2.gz OYVBCZBIYQGJGP-UHFFFAOYSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@]2(C)C1 ZINC001571067998 1086658908 /nfs/dbraw/zinc/65/89/08/1086658908.db2.gz CMNJCXZQFFAYMV-KVPLUYHFSA-N 2 1 335.536 2.852 10 30 EFEEMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001571336051 1086734735 /nfs/dbraw/zinc/73/47/35/1086734735.db2.gz HVJTZQBQCXTPKT-UHFFFAOYSA-N 2 1 341.927 2.928 10 30 EFEEMP CC#CC[NH2+]CCC[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC001571347347 1086745928 /nfs/dbraw/zinc/74/59/28/1086745928.db2.gz RGVCZGXRECYWGG-UYAOXDASSA-N 2 1 341.499 2.579 10 30 EFEEMP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]21 ZINC001571511812 1086917269 /nfs/dbraw/zinc/91/72/69/1086917269.db2.gz WTQPLIMGOBXTPG-CEXWTWQISA-N 2 1 344.503 2.765 10 30 EFEEMP CC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001571537401 1086944471 /nfs/dbraw/zinc/94/44/71/1086944471.db2.gz BFUIRWXENZLFFC-IAGOWNOFSA-N 2 1 333.520 2.537 10 30 EFEEMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1(C)C ZINC001571563951 1086964886 /nfs/dbraw/zinc/96/48/86/1086964886.db2.gz UBYZKXKNNJDPNR-ZWKOTPCHSA-N 2 1 335.536 2.901 10 30 EFEEMP C#CCC[NH2+]C[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C(C)(C)C ZINC001571624047 1086994645 /nfs/dbraw/zinc/99/46/45/1086994645.db2.gz BICWNTYTHUIPFC-CVEARBPZSA-N 2 1 332.492 2.540 10 30 EFEEMP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C(C)(C)C ZINC001571626046 1086996223 /nfs/dbraw/zinc/99/62/23/1086996223.db2.gz QHMUOYAXVYSFEE-ZWKOTPCHSA-N 2 1 333.520 2.537 10 30 EFEEMP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C(C)(C)C ZINC001571626043 1086996255 /nfs/dbraw/zinc/99/62/55/1086996255.db2.gz QHMUOYAXVYSFEE-MSOLQXFVSA-N 2 1 333.520 2.537 10 30 EFEEMP C=CCC[NH+]1CCC([C@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001571650113 1087020099 /nfs/dbraw/zinc/02/00/99/1087020099.db2.gz GLIREYCAALSFQE-INIZCTEOSA-N 2 1 332.492 2.799 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCC([C@H](C)NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001571651145 1087021338 /nfs/dbraw/zinc/02/13/38/1087021338.db2.gz NOMXNHGJZZTLNZ-CVEARBPZSA-N 2 1 332.492 2.763 10 30 EFEEMP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)c(F)c1 ZINC001571704259 1087078170 /nfs/dbraw/zinc/07/81/70/1087078170.db2.gz MXWFIXKZXGTWCL-IBGZPJMESA-N 2 1 347.478 2.982 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001267058987 1092498741 /nfs/dbraw/zinc/49/87/41/1092498741.db2.gz XFJFUGJWTMPXFJ-VQIMIIECSA-N 2 1 339.499 2.603 10 30 EFEEMP C=CCC[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001267062627 1092510477 /nfs/dbraw/zinc/51/04/77/1092510477.db2.gz YIPHCHFVYJDJQT-IAGOWNOFSA-N 2 1 332.492 2.799 10 30 EFEEMP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001267104880 1092736385 /nfs/dbraw/zinc/73/63/85/1092736385.db2.gz VTIHDCOLJYCWEY-MOPGFXCFSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001267104880 1092736392 /nfs/dbraw/zinc/73/63/92/1092736392.db2.gz VTIHDCOLJYCWEY-MOPGFXCFSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001267104880 1092736396 /nfs/dbraw/zinc/73/63/96/1092736396.db2.gz VTIHDCOLJYCWEY-MOPGFXCFSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001267110817 1092774200 /nfs/dbraw/zinc/77/42/00/1092774200.db2.gz IXTATDCUAJBOJB-IEBWSBKVSA-N 2 1 344.503 2.643 10 30 EFEEMP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001267110817 1092774203 /nfs/dbraw/zinc/77/42/03/1092774203.db2.gz IXTATDCUAJBOJB-IEBWSBKVSA-N 2 1 344.503 2.643 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001267163874 1093010864 /nfs/dbraw/zinc/01/08/64/1093010864.db2.gz BJJPNPYDQVQLJB-SJORKVTESA-N 2 1 341.927 2.973 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001267163874 1093010870 /nfs/dbraw/zinc/01/08/70/1093010870.db2.gz BJJPNPYDQVQLJB-SJORKVTESA-N 2 1 341.927 2.973 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001267163874 1093010877 /nfs/dbraw/zinc/01/08/77/1093010877.db2.gz BJJPNPYDQVQLJB-SJORKVTESA-N 2 1 341.927 2.973 10 30 EFEEMP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001267176495 1093074956 /nfs/dbraw/zinc/07/49/56/1093074956.db2.gz IXLGDUUIPSYHSX-LJQANCHMSA-N 2 1 329.488 2.909 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](C)CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001267217189 1093227758 /nfs/dbraw/zinc/22/77/58/1093227758.db2.gz AEUSAZHPWXDGKJ-YJBOKZPZSA-N 2 1 327.488 2.602 10 30 EFEEMP C=CCC[C@H](C)[NH+](C)CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001267217189 1093227763 /nfs/dbraw/zinc/22/77/63/1093227763.db2.gz AEUSAZHPWXDGKJ-YJBOKZPZSA-N 2 1 327.488 2.602 10 30 EFEEMP C=CCC[C@H](C)[NH+](C)CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001267217189 1093227773 /nfs/dbraw/zinc/22/77/73/1093227773.db2.gz AEUSAZHPWXDGKJ-YJBOKZPZSA-N 2 1 327.488 2.602 10 30 EFEEMP C=CCC[C@H](C)[NH2+][C@@H](C)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001267222679 1093254607 /nfs/dbraw/zinc/25/46/07/1093254607.db2.gz PVUFSDLLRMZWLJ-HOTGVXAUSA-N 2 1 332.492 2.763 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)CC1CCC(C)(C)CC1 ZINC001267243040 1093343147 /nfs/dbraw/zinc/34/31/47/1093343147.db2.gz HWXVUBCSOVVOQT-IBGZPJMESA-N 2 1 347.547 2.739 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)CC1CCC(C)(C)CC1 ZINC001267243040 1093343156 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MDSVSUYLOJXXKT-ICSRJNTNSA-N 2 1 333.520 2.799 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)[C@H](C)c1cccc(C)c1 ZINC001480980249 1095651799 /nfs/dbraw/zinc/65/17/99/1095651799.db2.gz KNQJUPNHNROWOJ-QUCCMNQESA-N 2 1 341.499 2.592 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)[C@H](C)c1cccc(C)c1 ZINC001480980249 1095651805 /nfs/dbraw/zinc/65/18/05/1095651805.db2.gz KNQJUPNHNROWOJ-QUCCMNQESA-N 2 1 341.499 2.592 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)[C@H](C)c1cccc(C)c1 ZINC001480980249 1095651812 /nfs/dbraw/zinc/65/18/12/1095651812.db2.gz KNQJUPNHNROWOJ-QUCCMNQESA-N 2 1 341.499 2.592 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)[C@H](C)c1cccc(C)c1 ZINC001480980249 1095651815 /nfs/dbraw/zinc/65/18/15/1095651815.db2.gz KNQJUPNHNROWOJ-QUCCMNQESA-N 2 1 341.499 2.592 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001267571523 1095695221 /nfs/dbraw/zinc/69/52/21/1095695221.db2.gz NCOGAAZANSUUPI-OALUTQOASA-N 2 1 335.536 2.901 10 30 EFEEMP CC#CC[N@@H+](C)CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001267729863 1095731638 /nfs/dbraw/zinc/73/16/38/1095731638.db2.gz IMJSJZGSEQIXBZ-KRWDZBQOSA-N 2 1 344.503 2.590 10 30 EFEEMP CC#CC[N@H+](C)CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001267729863 1095731652 /nfs/dbraw/zinc/73/16/52/1095731652.db2.gz IMJSJZGSEQIXBZ-KRWDZBQOSA-N 2 1 344.503 2.590 10 30 EFEEMP CC#CC[N@@H+](C)CCC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001268198074 1096077888 /nfs/dbraw/zinc/07/78/88/1096077888.db2.gz PVOYAECKPOFADN-UHFFFAOYSA-N 2 1 347.547 2.835 10 30 EFEEMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001268224904 1096129900 /nfs/dbraw/zinc/12/99/00/1096129900.db2.gz QTSMNGHEBLMMMC-QFBILLFUSA-N 2 1 339.499 2.746 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001268224904 1096129902 /nfs/dbraw/zinc/12/99/02/1096129902.db2.gz QTSMNGHEBLMMMC-QFBILLFUSA-N 2 1 339.499 2.746 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001268224904 1096129906 /nfs/dbraw/zinc/12/99/06/1096129906.db2.gz QTSMNGHEBLMMMC-QFBILLFUSA-N 2 1 339.499 2.746 10 30 EFEEMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001268224903 1096130064 /nfs/dbraw/zinc/13/00/64/1096130064.db2.gz QTSMNGHEBLMMMC-LPHOPBHVSA-N 2 1 339.499 2.746 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001268224903 1096130067 /nfs/dbraw/zinc/13/00/67/1096130067.db2.gz QTSMNGHEBLMMMC-LPHOPBHVSA-N 2 1 339.499 2.746 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001268224903 1096130071 /nfs/dbraw/zinc/13/00/71/1096130071.db2.gz QTSMNGHEBLMMMC-LPHOPBHVSA-N 2 1 339.499 2.746 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001268228969 1096135825 /nfs/dbraw/zinc/13/58/25/1096135825.db2.gz MPDSUOOQAIEPCQ-OALUTQOASA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001268228969 1096135833 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OKNFEZOHURKZJU-QUCCMNQESA-N 2 1 345.531 2.587 10 30 EFEEMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)CC[C@@H]21 ZINC001268267660 1096214480 /nfs/dbraw/zinc/21/44/80/1096214480.db2.gz OKNFEZOHURKZJU-QUCCMNQESA-N 2 1 345.531 2.587 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@H]21 ZINC001268268883 1096217073 /nfs/dbraw/zinc/21/70/73/1096217073.db2.gz KUFZKMQCNFLAFK-RBUKOAKNSA-N 2 1 344.503 2.861 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@H]21 ZINC001268268883 1096217079 /nfs/dbraw/zinc/21/70/79/1096217079.db2.gz KUFZKMQCNFLAFK-RBUKOAKNSA-N 2 1 344.503 2.861 10 30 EFEEMP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001268378170 1096433029 /nfs/dbraw/zinc/43/30/29/1096433029.db2.gz RVWOHGRYLWCBFC-AWEZNQCLSA-N 2 1 329.916 2.876 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001481740387 1096481472 /nfs/dbraw/zinc/48/14/72/1096481472.db2.gz BGQMYNJBUMMGKL-VQIMIIECSA-N 2 1 339.499 2.698 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001481740387 1096481477 /nfs/dbraw/zinc/48/14/77/1096481477.db2.gz BGQMYNJBUMMGKL-VQIMIIECSA-N 2 1 339.499 2.698 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001481740387 1096481480 /nfs/dbraw/zinc/48/14/80/1096481480.db2.gz BGQMYNJBUMMGKL-VQIMIIECSA-N 2 1 339.499 2.698 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CC/C=C\CCC)C2)CC1 ZINC001481752413 1096527687 /nfs/dbraw/zinc/52/76/87/1096527687.db2.gz BKGUXVYKFYKZIO-WHXUGTBJSA-N 2 1 345.531 2.611 10 30 EFEEMP CC#CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCCC1 ZINC001481897010 1096888145 /nfs/dbraw/zinc/88/81/45/1096888145.db2.gz KYBJOKZCRMSNBS-GOSISDBHSA-N 2 1 345.531 2.683 10 30 EFEEMP C=CCCC[NH2+]CC1(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CCCC1 ZINC001481903378 1096895396 /nfs/dbraw/zinc/89/53/96/1096895396.db2.gz DOFLNOKLJUYZHJ-QGZVFWFLSA-N 2 1 344.503 2.739 10 30 EFEEMP 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ZINC001482103156 1097264185 /nfs/dbraw/zinc/26/41/85/1097264185.db2.gz YBNCZIIIYQZLKN-MSOLQXFVSA-N 2 1 335.536 2.949 10 30 EFEEMP C=C(C)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001268777314 1097627554 /nfs/dbraw/zinc/62/75/54/1097627554.db2.gz XROYCVOZFBAGQF-ROUUACIJSA-N 2 1 332.492 2.812 10 30 EFEEMP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001268944353 1097737541 /nfs/dbraw/zinc/73/75/41/1097737541.db2.gz TYEUMLGRQDKPDQ-HOJAQTOUSA-N 2 1 345.531 2.892 10 30 EFEEMP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001268944353 1097737547 /nfs/dbraw/zinc/73/75/47/1097737547.db2.gz TYEUMLGRQDKPDQ-HOJAQTOUSA-N 2 1 345.531 2.892 10 30 EFEEMP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001268944353 1097737552 /nfs/dbraw/zinc/73/75/52/1097737552.db2.gz TYEUMLGRQDKPDQ-HOJAQTOUSA-N 2 1 345.531 2.892 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001269347631 1098078004 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1 344.503 2.739 10 30 EFEEMP CC#CC[NH2+]C[C@@](C)(NC(=O)CC[N@@H+](C)C1CCCCC1)C1CC1 ZINC001269626936 1098302885 /nfs/dbraw/zinc/30/28/85/1098302885.db2.gz ZKOPVCAOLYZHDR-HXUWFJFHSA-N 2 1 333.520 2.539 10 30 EFEEMP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001269693298 1098373590 /nfs/dbraw/zinc/37/35/90/1098373590.db2.gz SMNWKXWFUQBXKR-FQEVSTJZSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001269693706 1098375334 /nfs/dbraw/zinc/37/53/34/1098375334.db2.gz YOIUEBVWJDJKRK-FQEVSTJZSA-N 2 1 345.531 2.896 10 30 EFEEMP C#CC[NH2+]CCC1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001269927741 1098525483 /nfs/dbraw/zinc/52/54/83/1098525483.db2.gz MIGNHPKDJDPYRW-FQEVSTJZSA-N 2 1 341.499 2.531 10 30 EFEEMP C=C(Cl)C[NH2+]CCC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001267908669 1098568775 /nfs/dbraw/zinc/56/87/75/1098568775.db2.gz MUEVBMFKSGWMSJ-DLBZAZTESA-N 2 1 341.927 2.688 10 30 EFEEMP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC001269989733 1098574708 /nfs/dbraw/zinc/57/47/08/1098574708.db2.gz WLADZVXEEHLYHK-HKUYNNGSSA-N 2 1 329.488 2.664 10 30 EFEEMP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC001269989733 1098574713 /nfs/dbraw/zinc/57/47/13/1098574713.db2.gz WLADZVXEEHLYHK-HKUYNNGSSA-N 2 1 329.488 2.664 10 30 EFEEMP C=C(C)C[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001267916066 1098630447 /nfs/dbraw/zinc/63/04/47/1098630447.db2.gz OEHGVMHPZOWZCI-MOPGFXCFSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCC[C@@H](C)[NH2+]CCC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001267917416 1098637090 /nfs/dbraw/zinc/63/70/90/1098637090.db2.gz FWEDFYUFSGZWMJ-MJGOQNOKSA-N 2 1 335.536 2.901 10 30 EFEEMP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC001270065298 1098653522 /nfs/dbraw/zinc/65/35/22/1098653522.db2.gz KTGJMONONPHDIC-HXUWFJFHSA-N 2 1 341.499 2.536 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001267930558 1098721401 /nfs/dbraw/zinc/72/14/01/1098721401.db2.gz JMIFYESNOSMXDI-CADBVGFASA-N 2 1 333.520 2.987 10 30 EFEEMP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001270254621 1098869566 /nfs/dbraw/zinc/86/95/66/1098869566.db2.gz WNEIFJAXZNCNRO-RTBURBONSA-N 2 1 333.520 2.940 10 30 EFEEMP C#CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1CC[NH+](CC=C(C)C)CC1 ZINC001270346081 1098989027 /nfs/dbraw/zinc/98/90/27/1098989027.db2.gz YMLZZLRBZVTSMT-UHFFFAOYSA-N 2 1 347.547 2.857 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC(C)(C)C)C1CCCC1 ZINC001270403831 1099057787 /nfs/dbraw/zinc/05/77/87/1099057787.db2.gz MZBFXFXBHNSCNS-MOPGFXCFSA-N 2 1 347.547 2.785 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC(C)(C)C)C1CCCC1 ZINC001270403831 1099057798 /nfs/dbraw/zinc/05/77/98/1099057798.db2.gz MZBFXFXBHNSCNS-MOPGFXCFSA-N 2 1 347.547 2.785 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001267791962 1099263814 /nfs/dbraw/zinc/26/38/14/1099263814.db2.gz RWMKLFIVIWADTL-IBGZPJMESA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001267791963 1099263882 /nfs/dbraw/zinc/26/38/82/1099263882.db2.gz RWMKLFIVIWADTL-LJQANCHMSA-N 2 1 335.536 2.997 10 30 EFEEMP CCC[N@@H+](C)CC(=O)NC[C@H](CC)[NH2+]CC#Cc1ccccc1Cl ZINC001267828257 1099490539 /nfs/dbraw/zinc/49/05/39/1099490539.db2.gz UGCJJXHUCFNHCD-KRWDZBQOSA-N 2 1 349.906 2.518 10 30 EFEEMP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001270854406 1099725308 /nfs/dbraw/zinc/72/53/08/1099725308.db2.gz RWHFQFGPZRGIJZ-NRFANRHFSA-N 2 1 343.515 2.913 10 30 EFEEMP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001270854406 1099725312 /nfs/dbraw/zinc/72/53/12/1099725312.db2.gz RWHFQFGPZRGIJZ-NRFANRHFSA-N 2 1 343.515 2.913 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001481437903 1099818847 /nfs/dbraw/zinc/81/88/47/1099818847.db2.gz 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C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)Cn1c[nH+]cc1C ZINC001672929192 1105941282 /nfs/dbraw/zinc/94/12/82/1105941282.db2.gz BMWPDTOMTIYMFA-UHFFFAOYSA-N 2 1 326.444 2.516 10 30 EFEEMP C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)Cn1c[nH+]cc1C ZINC001672929192 1105941287 /nfs/dbraw/zinc/94/12/87/1105941287.db2.gz BMWPDTOMTIYMFA-UHFFFAOYSA-N 2 1 326.444 2.516 10 30 EFEEMP C=CC[N@H+](C)Cc1ccccc1CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001672933600 1105942395 /nfs/dbraw/zinc/94/23/95/1105942395.db2.gz FXLNOIUWGHGWMG-IAGOWNOFSA-N 2 1 329.488 2.793 10 30 EFEEMP C=CCC[NH2+][C@H](C)c1ccc(CNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001672943463 1105945052 /nfs/dbraw/zinc/94/50/52/1105945052.db2.gz MOTWCMSRUSKBSJ-SJLPKXTDSA-N 2 1 329.488 2.871 10 30 EFEEMP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001672965707 1105950322 /nfs/dbraw/zinc/95/03/22/1105950322.db2.gz KOSNUDIRGBXWDM-KZNAEPCWSA-N 2 1 344.503 2.685 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001672983158 1105953785 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ZINC000941238185 1118695546 /nfs/dbraw/zinc/69/55/46/1118695546.db2.gz UMOMBHFODBZMAV-SFHVURJKSA-N 2 1 329.488 2.765 10 30 EFEEMP Cc1nc(C[NH+]2CCC(CNC(=[NH2+])N3CCC[C@@H](C)C3)CC2)cs1 ZINC000262507296 240357078 /nfs/dbraw/zinc/35/70/78/240357078.db2.gz BSZOLPCADMFCAW-CQSZACIVSA-N 2 1 349.548 2.710 10 30 EFEEMP Cc1nc(C[NH+]2CCC(CNC(=[NH2+])N3CCC[C@H](C)C3)CC2)cs1 ZINC000262507294 240357328 /nfs/dbraw/zinc/35/73/28/240357328.db2.gz BSZOLPCADMFCAW-AWEZNQCLSA-N 2 1 349.548 2.710 10 30 EFEEMP C=CCOc1cccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000179516048 201032011 /nfs/dbraw/zinc/03/20/11/201032011.db2.gz FTHBMZFJRFPBFI-KRWDZBQOSA-N 2 1 332.488 2.776 10 30 EFEEMP C=CCC[C@H](O)C[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000246878132 240274326 /nfs/dbraw/zinc/27/43/26/240274326.db2.gz DMZXEEXGIPJJBZ-LEWJYISDSA-N 2 1 346.515 2.691 10 30 EFEEMP OCC#Cc1csc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC2CC2)C3)c1 ZINC000011841142 211254613 /nfs/dbraw/zinc/25/46/13/211254613.db2.gz QRQDEFXHGAPHQS-FQEVSTJZSA-N 2 1 344.524 2.790 10 30 EFEEMP OCC#Cc1csc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CC2CC2)C3)c1 ZINC000011841142 211254616 /nfs/dbraw/zinc/25/46/16/211254616.db2.gz QRQDEFXHGAPHQS-FQEVSTJZSA-N 2 1 344.524 2.790 10 30 EFEEMP OCC#Cc1csc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)c1 ZINC000011841142 211254617 /nfs/dbraw/zinc/25/46/17/211254617.db2.gz QRQDEFXHGAPHQS-FQEVSTJZSA-N 2 1 344.524 2.790 10 30 EFEEMP OCC#Cc1csc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)c1 ZINC000011841142 211254620 /nfs/dbraw/zinc/25/46/20/211254620.db2.gz QRQDEFXHGAPHQS-FQEVSTJZSA-N 2 1 344.524 2.790 10 30 EFEEMP C[NH+]=C(NCC[N@H+]1CCCC[C@H]1C)N1CCC(OC(C)(C)C)CC1 ZINC000261675871 533478576 /nfs/dbraw/zinc/47/85/76/533478576.db2.gz CNTRYIXGYPOHPP-MRXNPFEDSA-N 2 1 338.540 2.716 10 30 EFEEMP Cc1cc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ccc1C#N ZINC000349370581 142325592 /nfs/dbraw/zinc/32/55/92/142325592.db2.gz RJEKGKYNZPUMDH-WCRBZPEASA-N 2 1 338.499 2.610 10 30 EFEEMP Cc1cc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ccc1C#N ZINC000349370581 142325593 /nfs/dbraw/zinc/32/55/93/142325593.db2.gz RJEKGKYNZPUMDH-WCRBZPEASA-N 2 1 338.499 2.610 10 30 EFEEMP COc1cc(C)[nH+]c(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000348925802 146025271 /nfs/dbraw/zinc/02/52/71/146025271.db2.gz YGBFHYGXPADEDE-UHFFFAOYSA-N 2 1 338.455 2.834 10 30 EFEEMP C=CC[C@@H]1CCN(C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)C1 ZINC000628492125 479920992 /nfs/dbraw/zinc/92/09/92/479920992.db2.gz OKMNSVDWNFXKLZ-QGZVFWFLSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCC[C@H](C)[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000091559919 472777541 /nfs/dbraw/zinc/77/75/41/472777541.db2.gz WHRQYBZKABXGJF-SFHVURJKSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@H+](C)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000121059032 472791193 /nfs/dbraw/zinc/79/11/93/472791193.db2.gz WIRAUPRMJGVFRQ-PKOBYXMFSA-N 2 1 329.488 2.664 10 30 EFEEMP C=CCCC[NH+](C)[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000121059032 472791198 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10 30 EFEEMP N#CCCOCCN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000292858099 474679321 /nfs/dbraw/zinc/67/93/21/474679321.db2.gz RFWQCSZUCANOJY-VQTJNVASSA-N 2 1 327.472 2.903 10 30 EFEEMP N#CCCOCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000292858099 474679327 /nfs/dbraw/zinc/67/93/27/474679327.db2.gz RFWQCSZUCANOJY-VQTJNVASSA-N 2 1 327.472 2.903 10 30 EFEEMP N#CCCOCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000292858099 474679333 /nfs/dbraw/zinc/67/93/33/474679333.db2.gz RFWQCSZUCANOJY-VQTJNVASSA-N 2 1 327.472 2.903 10 30 EFEEMP N#CCCOCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000292858099 474679341 /nfs/dbraw/zinc/67/93/41/474679341.db2.gz RFWQCSZUCANOJY-VQTJNVASSA-N 2 1 327.472 2.903 10 30 EFEEMP N#CCCOCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000292858099 474679347 /nfs/dbraw/zinc/67/93/47/474679347.db2.gz RFWQCSZUCANOJY-VQTJNVASSA-N 2 1 327.472 2.903 10 30 EFEEMP C[N@H+]1CC[C@@]2(CC[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)C1 ZINC000292085162 474839640 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C=CCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001671091996 1294515779 /nfs/dbraw/zinc/51/57/79/1294515779.db2.gz ZLSQBWVEEBZDNV-FQEVSTJZSA-N 2 1 344.503 2.862 10 30 EFEEMP CCCCCCC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001671089790 1294758362 /nfs/dbraw/zinc/75/83/62/1294758362.db2.gz CMAYQLSWQBOHMV-FQEVSTJZSA-N 2 1 335.536 2.977 10 30 EFEEMP CCCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001671089791 1294758808 /nfs/dbraw/zinc/75/88/08/1294758808.db2.gz CMAYQLSWQBOHMV-HXUWFJFHSA-N 2 1 335.536 2.977 10 30 EFEEMP C=CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001273789373 1295773934 /nfs/dbraw/zinc/77/39/34/1295773934.db2.gz HEWUUWMCDHPMRK-QZTJIDSGSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001273833690 1296243136 /nfs/dbraw/zinc/24/31/36/1296243136.db2.gz QFNPRNGWJACPOC-CTNGQTDRSA-N 2 1 345.531 2.609 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001273842039 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N#Cc1ccc(N[C@@H]2CCC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)nc1 ZINC000903988814 1313544944 /nfs/dbraw/zinc/54/49/44/1313544944.db2.gz XVTCWCPNGWQNLT-LJQANCHMSA-N 2 1 347.466 2.675 10 30 EFEEMP C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001490777286 1299241693 /nfs/dbraw/zinc/24/16/93/1299241693.db2.gz OUJUSSXGSWHNSG-RBUKOAKNSA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001490777459 1299244104 /nfs/dbraw/zinc/24/41/04/1299244104.db2.gz PVGYCIHNBFBHRP-RTBURBONSA-N 2 1 335.536 2.853 10 30 EFEEMP CCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001490792969 1299262394 /nfs/dbraw/zinc/26/23/94/1299262394.db2.gz PNULVYSSPRITPB-HSALFYBXSA-N 2 1 347.547 2.974 10 30 EFEEMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001490797535 1299455714 /nfs/dbraw/zinc/45/57/14/1299455714.db2.gz ATEDLVDBXWEDBN-OKYOBFRVSA-N 2 1 331.504 2.645 10 30 EFEEMP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001490797535 1299455718 /nfs/dbraw/zinc/45/57/18/1299455718.db2.gz ATEDLVDBXWEDBN-OKYOBFRVSA-N 2 1 331.504 2.645 10 30 EFEEMP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001490797535 1299455723 /nfs/dbraw/zinc/45/57/23/1299455723.db2.gz ATEDLVDBXWEDBN-OKYOBFRVSA-N 2 1 331.504 2.645 10 30 EFEEMP C#CCN(C(=O)CC[N@@H+](C)C1CCCCC1)C1CC[NH+](C(C)C)CC1 ZINC001278170180 1313738361 /nfs/dbraw/zinc/73/83/61/1313738361.db2.gz ZKEQWOXKKSCRKX-UHFFFAOYSA-N 2 1 347.547 2.976 10 30 EFEEMP C#CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1CC[NH+](CC2CCC2)CC1 ZINC001278184653 1313756157 /nfs/dbraw/zinc/75/61/57/1313756157.db2.gz PNKGNQWSZRDZFF-UHFFFAOYSA-N 2 1 347.547 2.691 10 30 EFEEMP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)[C@H](C)C1 ZINC000866445324 1303645079 /nfs/dbraw/zinc/64/50/79/1303645079.db2.gz JCDODRCAWUPRPN-VQIMIIECSA-N 2 1 326.488 2.847 10 30 EFEEMP CC1(C)[C@@H]([NH3+])c2ccccc2N1C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867988159 1304061401 /nfs/dbraw/zinc/06/14/01/1304061401.db2.gz VBKSNGPKDLMEFJ-MOPGFXCFSA-N 2 1 346.434 2.570 10 30 EFEEMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC001276609892 1314075173 /nfs/dbraw/zinc/07/51/73/1314075173.db2.gz ZYXYSCPKGCBKIV-GOSISDBHSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCCCCC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC001276609893 1314075287 /nfs/dbraw/zinc/07/52/87/1314075287.db2.gz ZYXYSCPKGCBKIV-SFHVURJKSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCCn1cc[nH+]c1C)C2 ZINC001278336907 1314154974 /nfs/dbraw/zinc/15/49/74/1314154974.db2.gz VOAQUMDIUHAURK-FQEVSTJZSA-N 2 1 344.503 2.862 10 30 EFEEMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCCn1cc[nH+]c1C)C2 ZINC001278336907 1314154975 /nfs/dbraw/zinc/15/49/75/1314154975.db2.gz VOAQUMDIUHAURK-FQEVSTJZSA-N 2 1 344.503 2.862 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000900498564 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KKKPIQLCHODKSK-WDSOQIARSA-N 2 1 329.488 2.740 10 30 EFEEMP C=C(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C ZINC001277324966 1311990031 /nfs/dbraw/zinc/99/00/31/1311990031.db2.gz VTQZODMKEDCIFC-AYHJJNSGSA-N 2 1 330.476 2.659 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001277369105 1312068057 /nfs/dbraw/zinc/06/80/57/1312068057.db2.gz SNJJGGVJIHLYGY-MOPGFXCFSA-N 2 1 333.520 2.894 10 30 EFEEMP C=CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001277388552 1312098363 /nfs/dbraw/zinc/09/83/63/1312098363.db2.gz PEQZEOJYMHOWBC-IBGZPJMESA-N 2 1 333.520 2.748 10 30 EFEEMP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001277388552 1312098365 /nfs/dbraw/zinc/09/83/65/1312098365.db2.gz PEQZEOJYMHOWBC-IBGZPJMESA-N 2 1 333.520 2.748 10 30 EFEEMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001277388552 1312098368 /nfs/dbraw/zinc/09/83/68/1312098368.db2.gz PEQZEOJYMHOWBC-IBGZPJMESA-N 2 1 333.520 2.748 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N2CCC([N@H+](C)CC/C=C\CC)CC2)CC1 ZINC001277447612 1312197230 /nfs/dbraw/zinc/19/72/30/1312197230.db2.gz NHYPEDHZLKPJKW-SREVYHEPSA-N 2 1 345.531 2.611 10 30 EFEEMP C=CC[NH2+]CCCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001277454414 1312229653 /nfs/dbraw/zinc/22/96/53/1312229653.db2.gz OGFSDICYIFSLFI-IEBWSBKVSA-N 2 1 329.488 2.521 10 30 EFEEMP C=CCCCCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001277618537 1312631923 /nfs/dbraw/zinc/63/19/23/1312631923.db2.gz VOACHNJDDJLCMD-HKUYNNGSSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCCCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001277618537 1312631927 /nfs/dbraw/zinc/63/19/27/1312631927.db2.gz VOACHNJDDJLCMD-HKUYNNGSSA-N 2 1 333.520 2.892 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001278427368 1314574042 /nfs/dbraw/zinc/57/40/42/1314574042.db2.gz SFQGJBMDDIJTBM-RTBURBONSA-N 2 1 339.499 2.746 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001278427368 1314574045 /nfs/dbraw/zinc/57/40/45/1314574045.db2.gz SFQGJBMDDIJTBM-RTBURBONSA-N 2 1 339.499 2.746 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001278427368 1314574050 /nfs/dbraw/zinc/57/40/50/1314574050.db2.gz SFQGJBMDDIJTBM-RTBURBONSA-N 2 1 339.499 2.746 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H](F)C[NH+](CC)CC)CCC[C@@H]12 ZINC001278451124 1314636474 /nfs/dbraw/zinc/63/64/74/1314636474.db2.gz HCJWQLNJAIBHMZ-ZHALLVOQSA-N 2 1 339.499 2.746 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001278462189 1314671736 /nfs/dbraw/zinc/67/17/36/1314671736.db2.gz ZKIMZMXMDURYPH-QKLQHJQFSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001278462190 1314671949 /nfs/dbraw/zinc/67/19/49/1314671949.db2.gz ZKIMZMXMDURYPH-SQGPQFPESA-N 2 1 333.520 2.796 10 30 EFEEMP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001278550685 1315175112 /nfs/dbraw/zinc/17/51/12/1315175112.db2.gz XOQYCWRQROIMHU-RTBURBONSA-N 2 1 339.499 2.603 10 30 EFEEMP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001278550682 1315175567 /nfs/dbraw/zinc/17/55/67/1315175567.db2.gz XOQYCWRQROIMHU-MOPGFXCFSA-N 2 1 339.499 2.603 10 30 EFEEMP C#CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001278580272 1315223734 /nfs/dbraw/zinc/22/37/34/1315223734.db2.gz OXLXPJDIWGULDR-ZWKOTPCHSA-N 2 1 333.520 2.539 10 30 EFEEMP C=CCCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1(C)C ZINC001278668654 1315456203 /nfs/dbraw/zinc/45/62/03/1315456203.db2.gz ZPMARUDLBOBEEP-AEFFLSMTSA-N 2 1 344.503 2.547 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001278674010 1315475661 /nfs/dbraw/zinc/47/56/61/1315475661.db2.gz XMKBNULSZRMQJJ-HXUWFJFHSA-N 2 1 347.547 2.740 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001278686754 1315527918 /nfs/dbraw/zinc/52/79/18/1315527918.db2.gz NAOKTEUOOIBQQD-NRFANRHFSA-N 2 1 347.547 2.903 10 30 EFEEMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C(F)(F)F ZINC001278703769 1315581651 /nfs/dbraw/zinc/58/16/51/1315581651.db2.gz MKHJUERRNBAVML-CABCVRRESA-N 2 1 349.441 2.519 10 30 EFEEMP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(C)(C)C ZINC001278962640 1315989234 /nfs/dbraw/zinc/98/92/34/1315989234.db2.gz SCEYTTIGCYERPC-WMZOPIPTSA-N 2 1 335.536 2.948 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]C(C)C)c1ccccc1CC ZINC001278969520 1316000279 /nfs/dbraw/zinc/00/02/79/1316000279.db2.gz LSJWLEQYLSYISC-UXHICEINSA-N 2 1 341.499 2.502 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]C(C)C)c1ccccc1CC ZINC001278969520 1316000282 /nfs/dbraw/zinc/00/02/82/1316000282.db2.gz LSJWLEQYLSYISC-UXHICEINSA-N 2 1 341.499 2.502 10 30 EFEEMP CC#CC[NH2+]C[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C(C)(C)C 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332.492 2.718 10 30 EFEEMP C=CCCC[N@H+](C)CCC1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001319891334 1329030018 /nfs/dbraw/zinc/03/00/18/1329030018.db2.gz UFOQIEQNELZOPM-UHFFFAOYSA-N 2 1 332.492 2.718 10 30 EFEEMP C=CCC[NH2+][C@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001319943704 1329041343 /nfs/dbraw/zinc/04/13/43/1329041343.db2.gz LBKWIMFBZGFJJE-QAPCUYQASA-N 2 1 327.488 2.505 10 30 EFEEMP C=CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)cc1 ZINC001491900578 1324012138 /nfs/dbraw/zinc/01/21/38/1324012138.db2.gz RLDTZAOAJWXVIJ-UXHICEINSA-N 2 1 341.499 2.638 10 30 EFEEMP C=CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)cc1 ZINC001491900579 1324012309 /nfs/dbraw/zinc/01/23/09/1324012309.db2.gz RLDTZAOAJWXVIJ-VQTJNVASSA-N 2 1 341.499 2.638 10 30 EFEEMP C=C(C)CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001491943219 1324057944 /nfs/dbraw/zinc/05/79/44/1324057944.db2.gz OLZNLRGBQYDWKD-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001491943219 1324057951 /nfs/dbraw/zinc/05/79/51/1324057951.db2.gz OLZNLRGBQYDWKD-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001491943219 1324057956 /nfs/dbraw/zinc/05/79/56/1324057956.db2.gz OLZNLRGBQYDWKD-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001491944505 1324060505 /nfs/dbraw/zinc/06/05/05/1324060505.db2.gz WKHHNHSOXKRDRF-WOJBJXKFSA-N 2 1 345.531 2.730 10 30 EFEEMP CC#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001491944505 1324060512 /nfs/dbraw/zinc/06/05/12/1324060512.db2.gz WKHHNHSOXKRDRF-WOJBJXKFSA-N 2 1 345.531 2.730 10 30 EFEEMP CC#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001491944505 1324060519 /nfs/dbraw/zinc/06/05/19/1324060519.db2.gz WKHHNHSOXKRDRF-WOJBJXKFSA-N 2 1 345.531 2.730 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCC1CCCCC1 ZINC001320450673 1329134680 /nfs/dbraw/zinc/13/46/80/1329134680.db2.gz QNWHJHXQGANWOQ-HKUYNNGSSA-N 2 1 333.520 2.539 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCC1CCCCC1 ZINC001320450673 1329134683 /nfs/dbraw/zinc/13/46/83/1329134683.db2.gz QNWHJHXQGANWOQ-HKUYNNGSSA-N 2 1 333.520 2.539 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCC1CCCCC1 ZINC001320450674 1329134811 /nfs/dbraw/zinc/13/48/11/1329134811.db2.gz QNWHJHXQGANWOQ-MJGOQNOKSA-N 2 1 333.520 2.539 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCC1CCCCC1 ZINC001320450674 1329134815 /nfs/dbraw/zinc/13/48/15/1329134815.db2.gz QNWHJHXQGANWOQ-MJGOQNOKSA-N 2 1 333.520 2.539 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001316752147 1325109555 /nfs/dbraw/zinc/10/95/55/1325109555.db2.gz IAIWITTWGDYMNT-CEXWTWQISA-N 2 1 333.520 2.606 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001316752147 1325109562 /nfs/dbraw/zinc/10/95/62/1325109562.db2.gz IAIWITTWGDYMNT-CEXWTWQISA-N 2 1 333.520 2.606 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001316752147 1325109566 /nfs/dbraw/zinc/10/95/66/1325109566.db2.gz IAIWITTWGDYMNT-CEXWTWQISA-N 2 1 333.520 2.606 10 30 EFEEMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)CC(C)(C)C1 ZINC001316811720 1325164931 /nfs/dbraw/zinc/16/49/31/1325164931.db2.gz ORWDDNVFIAZBGD-ZWKOTPCHSA-N 2 1 335.536 2.737 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC/C=C\CCC)C2)CC1 ZINC001316950486 1325408197 /nfs/dbraw/zinc/40/81/97/1325408197.db2.gz BNMNAEAYNZGQTK-HCZHMGAMSA-N 2 1 345.531 2.659 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001316986344 1325449023 /nfs/dbraw/zinc/44/90/23/1325449023.db2.gz CWUUKVDKWPAKKY-QZTJIDSGSA-N 2 1 344.503 2.691 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001316986344 1325449030 /nfs/dbraw/zinc/44/90/30/1325449030.db2.gz CWUUKVDKWPAKKY-QZTJIDSGSA-N 2 1 344.503 2.691 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCC2(C[C@@H]2NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001317006067 1325476050 /nfs/dbraw/zinc/47/60/50/1325476050.db2.gz IHASFULZUNJOPV-WBVHZDCISA-N 2 1 330.476 2.517 10 30 EFEEMP C=CCC[C@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001317049683 1325521979 /nfs/dbraw/zinc/52/19/79/1325521979.db2.gz MVKPYKBVRVCXEI-INDMIFKZSA-N 2 1 333.520 2.891 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CC ZINC001317049683 1325521987 /nfs/dbraw/zinc/52/19/87/1325521987.db2.gz MVKPYKBVRVCXEI-INDMIFKZSA-N 2 1 333.520 2.891 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CC ZINC001317049683 1325521998 /nfs/dbraw/zinc/52/19/98/1325521998.db2.gz MVKPYKBVRVCXEI-INDMIFKZSA-N 2 1 333.520 2.891 10 30 EFEEMP C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCC[NH+](CCC)CCC)C1 ZINC001317102248 1325569018 /nfs/dbraw/zinc/56/90/18/1325569018.db2.gz AUSRBVDSQUYIAF-VQTJNVASSA-N 2 1 347.547 2.835 10 30 EFEEMP C#CC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001317106658 1325578276 /nfs/dbraw/zinc/57/82/76/1325578276.db2.gz YSDXQROHSYYCGK-UYAOXDASSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001317106658 1325578287 /nfs/dbraw/zinc/57/82/87/1325578287.db2.gz YSDXQROHSYYCGK-UYAOXDASSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001317106658 1325578296 /nfs/dbraw/zinc/57/82/96/1325578296.db2.gz YSDXQROHSYYCGK-UYAOXDASSA-N 2 1 345.531 2.587 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001377643055 1344253830 /nfs/dbraw/zinc/25/38/30/1344253830.db2.gz VIFXCZYYNMOZHK-CVEARBPZSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001377643055 1344253833 /nfs/dbraw/zinc/25/38/33/1344253833.db2.gz VIFXCZYYNMOZHK-CVEARBPZSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001317176006 1327685752 /nfs/dbraw/zinc/68/57/52/1327685752.db2.gz GSPQNRIYTQRCET-IBGZPJMESA-N 2 1 329.488 2.665 10 30 EFEEMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001317176006 1327685763 /nfs/dbraw/zinc/68/57/63/1327685763.db2.gz GSPQNRIYTQRCET-IBGZPJMESA-N 2 1 329.488 2.665 10 30 EFEEMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001317176006 1327685775 /nfs/dbraw/zinc/68/57/75/1327685775.db2.gz GSPQNRIYTQRCET-IBGZPJMESA-N 2 1 329.488 2.665 10 30 EFEEMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001317176006 1327685780 /nfs/dbraw/zinc/68/57/80/1327685780.db2.gz GSPQNRIYTQRCET-IBGZPJMESA-N 2 1 329.488 2.665 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001317205594 1327740807 /nfs/dbraw/zinc/74/08/07/1327740807.db2.gz QBDKAKBOWYHFTL-IRXDYDNUSA-N 2 1 332.492 2.799 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001317205594 1327740812 /nfs/dbraw/zinc/74/08/12/1327740812.db2.gz QBDKAKBOWYHFTL-IRXDYDNUSA-N 2 1 332.492 2.799 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC/C=C/CCC)CC1 ZINC001317216498 1327760167 /nfs/dbraw/zinc/76/01/67/1327760167.db2.gz AVYKYARROBYMNS-HPEWHVDNSA-N 2 1 345.531 2.847 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC/C=C/CCC)CC1 ZINC001317216498 1327760174 /nfs/dbraw/zinc/76/01/74/1327760174.db2.gz AVYKYARROBYMNS-HPEWHVDNSA-N 2 1 345.531 2.847 10 30 EFEEMP CC#CC[NH2+][C@H]1CCC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001317358098 1327892294 /nfs/dbraw/zinc/89/22/94/1327892294.db2.gz MGZGPCKMAHUGPQ-IRXDYDNUSA-N 2 1 333.520 2.680 10 30 EFEEMP C=CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001317369522 1327911423 /nfs/dbraw/zinc/91/14/23/1327911423.db2.gz YTCNFEAOFFCXRY-HXUWFJFHSA-N 2 1 343.515 2.884 10 30 EFEEMP CC#CC[N@@H+](CCCNC(=O)c1ccc(C[NH+](C)C)cc1)C(C)C ZINC001317705161 1328310592 /nfs/dbraw/zinc/31/05/92/1328310592.db2.gz LZWOJTDJXPLKTG-UHFFFAOYSA-N 2 1 329.488 2.602 10 30 EFEEMP C=CCCC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001317721026 1328329979 /nfs/dbraw/zinc/32/99/79/1328329979.db2.gz QVRPQJWKRMFQSU-RBUKOAKNSA-N 2 1 329.488 2.884 10 30 EFEEMP C#CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001317757981 1328355671 /nfs/dbraw/zinc/35/56/71/1328355671.db2.gz BQBADHIWUPZNCL-QUCCMNQESA-N 2 1 345.531 2.587 10 30 EFEEMP C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001317757981 1328355678 /nfs/dbraw/zinc/35/56/78/1328355678.db2.gz BQBADHIWUPZNCL-QUCCMNQESA-N 2 1 345.531 2.587 10 30 EFEEMP C#CC[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001317757981 1328355687 /nfs/dbraw/zinc/35/56/87/1328355687.db2.gz BQBADHIWUPZNCL-QUCCMNQESA-N 2 1 345.531 2.587 10 30 EFEEMP C#CC[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001317757981 1328355695 /nfs/dbraw/zinc/35/56/95/1328355695.db2.gz BQBADHIWUPZNCL-QUCCMNQESA-N 2 1 345.531 2.587 10 30 EFEEMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001317835034 1328404288 /nfs/dbraw/zinc/40/42/88/1328404288.db2.gz BNUFHUUUFAIGFE-MSOLQXFVSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001317835034 1328404291 /nfs/dbraw/zinc/40/42/91/1328404291.db2.gz BNUFHUUUFAIGFE-MSOLQXFVSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001317835034 1328404296 /nfs/dbraw/zinc/40/42/96/1328404296.db2.gz BNUFHUUUFAIGFE-MSOLQXFVSA-N 2 1 333.520 2.607 10 30 EFEEMP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001317848635 1328415311 /nfs/dbraw/zinc/41/53/11/1328415311.db2.gz OMSGTEONOGITTA-ICSRJNTNSA-N 2 1 345.531 2.587 10 30 EFEEMP CC#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001317848635 1328415319 /nfs/dbraw/zinc/41/53/19/1328415319.db2.gz OMSGTEONOGITTA-ICSRJNTNSA-N 2 1 345.531 2.587 10 30 EFEEMP CC#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001317848635 1328415324 /nfs/dbraw/zinc/41/53/24/1328415324.db2.gz OMSGTEONOGITTA-ICSRJNTNSA-N 2 1 345.531 2.587 10 30 EFEEMP C=CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001317870216 1328429881 /nfs/dbraw/zinc/42/98/81/1328429881.db2.gz PNYOJGZNKCVECU-IBGZPJMESA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001317870216 1328429887 /nfs/dbraw/zinc/42/98/87/1328429887.db2.gz PNYOJGZNKCVECU-IBGZPJMESA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001317870216 1328429892 /nfs/dbraw/zinc/42/98/92/1328429892.db2.gz PNYOJGZNKCVECU-IBGZPJMESA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001322243878 1329440691 /nfs/dbraw/zinc/44/06/91/1329440691.db2.gz JEHNOCPFRAPBHV-CRAIPNDOSA-N 2 1 327.488 2.602 10 30 EFEEMP C=CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001322243878 1329440693 /nfs/dbraw/zinc/44/06/93/1329440693.db2.gz JEHNOCPFRAPBHV-CRAIPNDOSA-N 2 1 327.488 2.602 10 30 EFEEMP C=CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001322243878 1329440695 /nfs/dbraw/zinc/44/06/95/1329440695.db2.gz JEHNOCPFRAPBHV-CRAIPNDOSA-N 2 1 327.488 2.602 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)CC2CCC(C)CC2)CC1 ZINC001322306286 1329445170 /nfs/dbraw/zinc/44/51/70/1329445170.db2.gz JACVEDQFWQWCNT-XBMUEBEBSA-N 2 1 347.547 2.594 10 30 EFEEMP C#CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+](C)CCCCCC)CC2)C1 ZINC001323636041 1329556787 /nfs/dbraw/zinc/55/67/87/1329556787.db2.gz BFXFPLYDPAPQAF-FQEVSTJZSA-N 2 1 347.547 2.692 10 30 EFEEMP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)CCCCCC)CC2)C1 ZINC001323636041 1329556791 /nfs/dbraw/zinc/55/67/91/1329556791.db2.gz BFXFPLYDPAPQAF-FQEVSTJZSA-N 2 1 347.547 2.692 10 30 EFEEMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)CCCCCC)CC2)C1 ZINC001323636041 1329556793 /nfs/dbraw/zinc/55/67/93/1329556793.db2.gz BFXFPLYDPAPQAF-FQEVSTJZSA-N 2 1 347.547 2.692 10 30 EFEEMP CC#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC2)C1 ZINC001323637357 1329556867 /nfs/dbraw/zinc/55/68/67/1329556867.db2.gz KXBIOARYMHODOE-UXHICEINSA-N 2 1 347.547 2.691 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001323643012 1329558118 /nfs/dbraw/zinc/55/81/18/1329558118.db2.gz OSROERJPIYFXJS-OALUTQOASA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001323645226 1329558637 /nfs/dbraw/zinc/55/86/37/1329558637.db2.gz YFTCENZUWWCKMP-RBUKOAKNSA-N 2 1 345.531 2.751 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001323644744 1329558672 /nfs/dbraw/zinc/55/86/72/1329558672.db2.gz WNVYLIOHVJMLJQ-VQTJNVASSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCC[N@@H+](CC1CC1)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001323733815 1329566446 /nfs/dbraw/zinc/56/64/46/1329566446.db2.gz NYYBQYOUFOVIBG-UHFFFAOYSA-N 2 1 345.531 2.894 10 30 EFEEMP 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ZINC001330364450 1330762861 /nfs/dbraw/zinc/76/28/61/1330762861.db2.gz NBVNUDSGPSGGLD-CADBVGFASA-N 2 1 333.520 2.511 10 30 EFEEMP C=CCCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC001330512201 1330764017 /nfs/dbraw/zinc/76/40/17/1330764017.db2.gz NCRZSPAUBQXUSM-RTBURBONSA-N 2 1 345.531 2.894 10 30 EFEEMP C=CCCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C2)C1 ZINC001330512201 1330764020 /nfs/dbraw/zinc/76/40/20/1330764020.db2.gz NCRZSPAUBQXUSM-RTBURBONSA-N 2 1 345.531 2.894 10 30 EFEEMP C=CCCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)C1 ZINC001330512201 1330764025 /nfs/dbraw/zinc/76/40/25/1330764025.db2.gz NCRZSPAUBQXUSM-RTBURBONSA-N 2 1 345.531 2.894 10 30 EFEEMP C=CCCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001331058652 1330789782 /nfs/dbraw/zinc/78/97/82/1330789782.db2.gz DVHSXNMPYXLNDN-MOPGFXCFSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001331058652 1330789785 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GVQUMNVCTANXAO-INIZCTEOSA-N 2 1 341.927 2.876 10 30 EFEEMP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001402250284 1363569953 /nfs/dbraw/zinc/56/99/53/1363569953.db2.gz LXXUKMWYCDLQJT-HZPDHXFCSA-N 2 1 339.911 2.584 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)CCC ZINC001402476956 1363721400 /nfs/dbraw/zinc/72/14/00/1363721400.db2.gz NZUJPTFOSWRACX-HOTGVXAUSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[N@H+](C)CCC ZINC001402476956 1363721406 /nfs/dbraw/zinc/72/14/06/1363721406.db2.gz NZUJPTFOSWRACX-HOTGVXAUSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)CCC ZINC001402476956 1363721409 /nfs/dbraw/zinc/72/14/09/1363721409.db2.gz NZUJPTFOSWRACX-HOTGVXAUSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)CCC ZINC001402476956 1363721412 /nfs/dbraw/zinc/72/14/12/1363721412.db2.gz NZUJPTFOSWRACX-HOTGVXAUSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001403240954 1364453069 /nfs/dbraw/zinc/45/30/69/1364453069.db2.gz BUQIQABBSNTELZ-AEFFLSMTSA-N 2 1 349.906 2.870 10 30 EFEEMP C=C(Cl)C[NH+]1C[C@@H]2CC[C@H](NC(=O)CC[N@H+](C)CCC)C[C@H]2C1 ZINC001403428403 1364632614 /nfs/dbraw/zinc/63/26/14/1364632614.db2.gz ZHBRANSUKWUXNG-ULQDDVLXSA-N 2 1 341.927 2.688 10 30 EFEEMP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)CCC)C[C@H]2C1 ZINC001403428403 1364632617 /nfs/dbraw/zinc/63/26/17/1364632617.db2.gz ZHBRANSUKWUXNG-ULQDDVLXSA-N 2 1 341.927 2.688 10 30 EFEEMP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)CCC)C[C@H]2C1 ZINC001403428403 1364632623 /nfs/dbraw/zinc/63/26/23/1364632623.db2.gz ZHBRANSUKWUXNG-ULQDDVLXSA-N 2 1 341.927 2.688 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001404326155 1365452001 /nfs/dbraw/zinc/45/20/01/1365452001.db2.gz GBLXYVKKZKYVLT-WBVHZDCISA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CCCCC1 ZINC001405945048 1366984198 /nfs/dbraw/zinc/98/41/98/1366984198.db2.gz FMQJMFHVVMAYOW-PBHICJAKSA-N 2 1 341.927 2.735 10 30 EFEEMP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001408004628 1369517643 /nfs/dbraw/zinc/51/76/43/1369517643.db2.gz XVUXMNZSFPBIOV-MRXNPFEDSA-N 2 1 341.927 2.973 10 30 EFEEMP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001408099069 1369605628 /nfs/dbraw/zinc/60/56/28/1369605628.db2.gz SYUNJJUEHGGSSF-HOTGVXAUSA-N 2 1 339.911 2.727 10 30 EFEEMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001418696878 1374381102 /nfs/dbraw/zinc/38/11/02/1374381102.db2.gz FFVNTJFJGNHHOH-KKUMJFAQSA-N 2 1 338.883 2.634 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001419714609 1375758998 /nfs/dbraw/zinc/75/89/98/1375758998.db2.gz BBRWDWDATXICNF-NVXWUHKLSA-N 2 1 341.927 2.973 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001420928640 1377893146 /nfs/dbraw/zinc/89/31/46/1377893146.db2.gz HPZAIKXHYOIEFA-IRXDYDNUSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001421008279 1378014319 /nfs/dbraw/zinc/01/43/19/1378014319.db2.gz PYJBWPOXRZPEOS-SJORKVTESA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001421008279 1378014321 /nfs/dbraw/zinc/01/43/21/1378014321.db2.gz PYJBWPOXRZPEOS-SJORKVTESA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCC[NH+](C)C)C2 ZINC001421176763 1378233722 /nfs/dbraw/zinc/23/37/22/1378233722.db2.gz AZXILRBXFNAXSU-GOSISDBHSA-N 2 1 341.927 2.785 10 30 EFEEMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001421894984 1379318015 /nfs/dbraw/zinc/31/80/15/1379318015.db2.gz WXGUOXKTMARNIL-JKSUJKDBSA-N 2 1 329.916 2.640 10 30 EFEEMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001421894984 1379318018 /nfs/dbraw/zinc/31/80/18/1379318018.db2.gz WXGUOXKTMARNIL-JKSUJKDBSA-N 2 1 329.916 2.640 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001422002957 1379465793 /nfs/dbraw/zinc/46/57/93/1379465793.db2.gz LVDIHXDOZGLGOV-JKSUJKDBSA-N 2 1 329.916 2.732 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001424278624 1382916973 /nfs/dbraw/zinc/91/69/73/1382916973.db2.gz KUXILARRDWBRII-IAGOWNOFSA-N 2 1 341.927 2.830 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCCC3)C[C@@]2(C)C1 ZINC001506870494 1406386608 /nfs/dbraw/zinc/38/66/08/1406386608.db2.gz PZCUMLGZJCMDQH-YSIASYRMSA-N 2 1 333.520 2.607 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCC[NH+](C)C ZINC001440436423 1389634996 /nfs/dbraw/zinc/63/49/96/1389634996.db2.gz FQSPDRYZUUARKF-HYVNUMGLSA-N 2 1 341.927 2.686 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCC[NH+](C)C ZINC001440436423 1389634998 /nfs/dbraw/zinc/63/49/98/1389634998.db2.gz FQSPDRYZUUARKF-HYVNUMGLSA-N 2 1 341.927 2.686 10 30 EFEEMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001441504541 1391337948 /nfs/dbraw/zinc/33/79/48/1391337948.db2.gz GCBFZHHKCXONJV-GASCZTMLSA-N 2 1 327.900 2.630 10 30 EFEEMP C=CCC[N@@H+](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001506958075 1406501194 /nfs/dbraw/zinc/50/11/94/1406501194.db2.gz KWZDSQOESHNUJR-MRXNPFEDSA-N 2 1 332.492 2.896 10 30 EFEEMP C=CCC[N@H+](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001506958075 1406501198 /nfs/dbraw/zinc/50/11/98/1406501198.db2.gz KWZDSQOESHNUJR-MRXNPFEDSA-N 2 1 332.492 2.896 10 30 EFEEMP C=CCC[N@@H+](C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001506958074 1406501408 /nfs/dbraw/zinc/50/14/08/1406501408.db2.gz KWZDSQOESHNUJR-INIZCTEOSA-N 2 1 332.492 2.896 10 30 EFEEMP C=CCC[N@H+](C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001506958074 1406501409 /nfs/dbraw/zinc/50/14/09/1406501409.db2.gz KWZDSQOESHNUJR-INIZCTEOSA-N 2 1 332.492 2.896 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CCC[NH2+]C(C)C)c1ccccc1 ZINC001506980079 1406541714 /nfs/dbraw/zinc/54/17/14/1406541714.db2.gz LHRKHTOIEWTCSO-UXHICEINSA-N 2 1 341.499 2.720 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CCC[NH2+]C(C)C)c1ccccc1 ZINC001506980079 1406541720 /nfs/dbraw/zinc/54/17/20/1406541720.db2.gz LHRKHTOIEWTCSO-UXHICEINSA-N 2 1 341.499 2.720 10 30 EFEEMP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001507012414 1406587757 /nfs/dbraw/zinc/58/77/57/1406587757.db2.gz RKMHMNAFZWTRDF-OALUTQOASA-N 2 1 333.520 2.796 10 30 EFEEMP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001507012417 1406588343 /nfs/dbraw/zinc/58/83/43/1406588343.db2.gz RKMHMNAFZWTRDF-RBUKOAKNSA-N 2 1 333.520 2.796 10 30 EFEEMP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001717537522 1419434100 /nfs/dbraw/zinc/43/41/00/1419434100.db2.gz GLOXTIYQTFTJML-IAGOWNOFSA-N 2 1 327.488 2.603 10 30 EFEEMP C[N@@H+]1C[C@]23C[NH+](Cc4ccc(OCC#N)cc4)C[C@@]2(C1)CCCC3 ZINC001460973864 1396275938 /nfs/dbraw/zinc/27/59/38/1396275938.db2.gz LRZDVJQAJUHRAL-BGYRXZFFSA-N 2 1 325.456 2.897 10 30 EFEEMP C[N@H+]1C[C@]23C[NH+](Cc4ccc(OCC#N)cc4)C[C@@]2(C1)CCCC3 ZINC001460973864 1396275946 /nfs/dbraw/zinc/27/59/46/1396275946.db2.gz LRZDVJQAJUHRAL-BGYRXZFFSA-N 2 1 325.456 2.897 10 30 EFEEMP C[NH+]1C[C@]23C[N@H+](Cc4ccc(OCC#N)cc4)C[C@@]2(C1)CCCC3 ZINC001460973864 1396275953 /nfs/dbraw/zinc/27/59/53/1396275953.db2.gz LRZDVJQAJUHRAL-BGYRXZFFSA-N 2 1 325.456 2.897 10 30 EFEEMP C[NH+]1C[C@]23C[N@@H+](Cc4ccc(OCC#N)cc4)C[C@@]2(C1)CCCC3 ZINC001460973864 1396275964 /nfs/dbraw/zinc/27/59/64/1396275964.db2.gz LRZDVJQAJUHRAL-BGYRXZFFSA-N 2 1 325.456 2.897 10 30 EFEEMP C=CCNC(=O)C[NH2+]C[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001461992298 1396415043 /nfs/dbraw/zinc/41/50/43/1396415043.db2.gz DUEZMZVZRZYVQU-OAQYLSRUSA-N 2 1 343.515 2.817 10 30 EFEEMP C=CCNC(=O)C[NH2+]C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001461992298 1396415045 /nfs/dbraw/zinc/41/50/45/1396415045.db2.gz DUEZMZVZRZYVQU-OAQYLSRUSA-N 2 1 343.515 2.817 10 30 EFEEMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001479338227 1397692813 /nfs/dbraw/zinc/69/28/13/1397692813.db2.gz TUGXGXZQTZDXPF-NZSAHSFTSA-N 2 1 329.488 2.740 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@H]1C ZINC001479729898 1397784935 /nfs/dbraw/zinc/78/49/35/1397784935.db2.gz NNCZBFQXNSBJGV-NEWSRXKRSA-N 2 1 329.488 2.835 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@H]1C ZINC001479729898 1397784938 /nfs/dbraw/zinc/78/49/38/1397784938.db2.gz NNCZBFQXNSBJGV-NEWSRXKRSA-N 2 1 329.488 2.835 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)CCC1CCCCCC1 ZINC001479776781 1397844105 /nfs/dbraw/zinc/84/41/05/1397844105.db2.gz QQSMABQUAANUKD-FQEVSTJZSA-N 2 1 347.547 2.883 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)CCC1CCCCCC1 ZINC001479776781 1397844113 /nfs/dbraw/zinc/84/41/13/1397844113.db2.gz QQSMABQUAANUKD-FQEVSTJZSA-N 2 1 347.547 2.883 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CCC1CCCCCC1 ZINC001479776781 1397844120 /nfs/dbraw/zinc/84/41/20/1397844120.db2.gz QQSMABQUAANUKD-FQEVSTJZSA-N 2 1 347.547 2.883 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CCC1CCCCCC1 ZINC001479776781 1397844127 /nfs/dbraw/zinc/84/41/27/1397844127.db2.gz QQSMABQUAANUKD-FQEVSTJZSA-N 2 1 347.547 2.883 10 30 EFEEMP C#CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001479830374 1397925427 /nfs/dbraw/zinc/92/54/27/1397925427.db2.gz HPWIMWPZTLMNFF-QUCCMNQESA-N 2 1 341.499 2.501 10 30 EFEEMP C#CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001479830374 1397925432 /nfs/dbraw/zinc/92/54/32/1397925432.db2.gz HPWIMWPZTLMNFF-QUCCMNQESA-N 2 1 341.499 2.501 10 30 EFEEMP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001479962121 1398048039 /nfs/dbraw/zinc/04/80/39/1398048039.db2.gz WENOVPLFUMTJOB-QZTJIDSGSA-N 2 1 346.519 2.915 10 30 EFEEMP CCCCCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001479962121 1398048044 /nfs/dbraw/zinc/04/80/44/1398048044.db2.gz WENOVPLFUMTJOB-QZTJIDSGSA-N 2 1 346.519 2.915 10 30 EFEEMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001479989081 1398074334 /nfs/dbraw/zinc/07/43/34/1398074334.db2.gz XNGIHYXRGQBANA-OALUTQOASA-N 2 1 341.499 2.836 10 30 EFEEMP C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001480078388 1398112659 /nfs/dbraw/zinc/11/26/59/1398112659.db2.gz KVSHVIMQNBKXIL-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[NH+](C)C[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001480078388 1398112665 /nfs/dbraw/zinc/11/26/65/1398112665.db2.gz KVSHVIMQNBKXIL-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[NH+](C)C[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001480078388 1398112672 /nfs/dbraw/zinc/11/26/72/1398112672.db2.gz KVSHVIMQNBKXIL-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001480158420 1398132872 /nfs/dbraw/zinc/13/28/72/1398132872.db2.gz PHMSNZSCMDOPKL-FPXQBCRKSA-N 2 1 339.499 2.790 10 30 EFEEMP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001480365068 1398179451 /nfs/dbraw/zinc/17/94/51/1398179451.db2.gz NBZWQHVSGUMGNY-WOJBJXKFSA-N 2 1 341.499 2.673 10 30 EFEEMP C=CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC001507354553 1406940880 /nfs/dbraw/zinc/94/08/80/1406940880.db2.gz CCGXYICBQCEXQA-QXAKKESOSA-N 2 1 333.520 2.654 10 30 EFEEMP C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001480662063 1398269641 /nfs/dbraw/zinc/26/96/41/1398269641.db2.gz RXXBKRPNIKMGER-OTWHNJEPSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001507355565 1406943692 /nfs/dbraw/zinc/94/36/92/1406943692.db2.gz LANOXZLXJANBDR-QUCCMNQESA-N 2 1 333.520 2.942 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001480823458 1398333423 /nfs/dbraw/zinc/33/34/23/1398333423.db2.gz JHWVQHNLHOVYHQ-RBUKOAKNSA-N 2 1 333.520 2.655 10 30 EFEEMP C=CCC[N@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@H]12 ZINC001507358376 1406946959 /nfs/dbraw/zinc/94/69/59/1406946959.db2.gz WGIOBQCOWVAZHY-ICSRJNTNSA-N 2 1 333.520 2.942 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001480831984 1398344907 /nfs/dbraw/zinc/34/49/07/1398344907.db2.gz PCXPLRQZXSJKLN-FQEVSTJZSA-N 2 1 341.499 2.746 10 30 EFEEMP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001507364609 1406957103 /nfs/dbraw/zinc/95/71/03/1406957103.db2.gz PNXKGMHCOMJLAO-KZNAEPCWSA-N 2 1 344.503 2.799 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001493267001 1398574576 /nfs/dbraw/zinc/57/45/76/1398574576.db2.gz LZTNIUMQCJNTAF-OALUTQOASA-N 2 1 335.536 2.901 10 30 EFEEMP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001493832684 1398910877 /nfs/dbraw/zinc/91/08/77/1398910877.db2.gz SCMWGAPQPSMTTI-KRWDZBQOSA-N 2 1 347.547 2.879 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC001493888502 1398955283 /nfs/dbraw/zinc/95/52/83/1398955283.db2.gz ISSDFFLNPMEHRW-ROUUACIJSA-N 2 1 347.890 2.528 10 30 EFEEMP C=CCC[N@H+]1CC[C@H](CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001494083347 1399121856 /nfs/dbraw/zinc/12/18/56/1399121856.db2.gz PDRDRHLCGKOGPM-HKUYNNGSSA-N 2 1 329.488 2.694 10 30 EFEEMP C=CCC[N@@H+]1CC[C@H](CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001494083347 1399121859 /nfs/dbraw/zinc/12/18/59/1399121859.db2.gz PDRDRHLCGKOGPM-HKUYNNGSSA-N 2 1 329.488 2.694 10 30 EFEEMP C=C(C)C[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001494160474 1399175962 /nfs/dbraw/zinc/17/59/62/1399175962.db2.gz PKOFPNBYVXYNKU-FQEVSTJZSA-N 2 1 343.515 2.517 10 30 EFEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001494160474 1399175964 /nfs/dbraw/zinc/17/59/64/1399175964.db2.gz PKOFPNBYVXYNKU-FQEVSTJZSA-N 2 1 343.515 2.517 10 30 EFEEMP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001494160474 1399175967 /nfs/dbraw/zinc/17/59/67/1399175967.db2.gz PKOFPNBYVXYNKU-FQEVSTJZSA-N 2 1 343.515 2.517 10 30 EFEEMP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001494160476 1399176049 /nfs/dbraw/zinc/17/60/49/1399176049.db2.gz PKOFPNBYVXYNKU-HXUWFJFHSA-N 2 1 343.515 2.517 10 30 EFEEMP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001494160476 1399176052 /nfs/dbraw/zinc/17/60/52/1399176052.db2.gz PKOFPNBYVXYNKU-HXUWFJFHSA-N 2 1 343.515 2.517 10 30 EFEEMP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001494160476 1399176058 /nfs/dbraw/zinc/17/60/58/1399176058.db2.gz PKOFPNBYVXYNKU-HXUWFJFHSA-N 2 1 343.515 2.517 10 30 EFEEMP C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001494161172 1399176485 /nfs/dbraw/zinc/17/64/85/1399176485.db2.gz BSNXXXIDWHNYAK-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP CC#CC[N@@H+](C)CC1CCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001494201200 1399208288 /nfs/dbraw/zinc/20/82/88/1399208288.db2.gz FUQXGGFSSBUTHR-UHFFFAOYSA-N 2 1 347.547 2.835 10 30 EFEEMP CC#CC[NH+](C)CC1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001494201200 1399208293 /nfs/dbraw/zinc/20/82/93/1399208293.db2.gz FUQXGGFSSBUTHR-UHFFFAOYSA-N 2 1 347.547 2.835 10 30 EFEEMP CC#CC[NH+](C)CC1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001494201200 1399208296 /nfs/dbraw/zinc/20/82/96/1399208296.db2.gz FUQXGGFSSBUTHR-UHFFFAOYSA-N 2 1 347.547 2.835 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001494828248 1399489036 /nfs/dbraw/zinc/48/90/36/1399489036.db2.gz QUIZVBRWBFFTPX-IAGOWNOFSA-N 2 1 332.492 2.896 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001494828248 1399489043 /nfs/dbraw/zinc/48/90/43/1399489043.db2.gz QUIZVBRWBFFTPX-IAGOWNOFSA-N 2 1 332.492 2.896 10 30 EFEEMP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001495384820 1399930670 /nfs/dbraw/zinc/93/06/70/1399930670.db2.gz FLMXEJLCHLJBMI-MSOLQXFVSA-N 2 1 344.503 2.548 10 30 EFEEMP C=CC[NH+]1CCC(CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001495540916 1400070575 /nfs/dbraw/zinc/07/05/75/1400070575.db2.gz RHDNUHZCUMAYQW-LJQANCHMSA-N 2 1 329.488 2.694 10 30 EFEEMP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C1CCCCC1 ZINC001496320767 1400637163 /nfs/dbraw/zinc/63/71/63/1400637163.db2.gz QGSXLRAJQLZQMN-VQTJNVASSA-N 2 1 347.547 2.786 10 30 EFEEMP C=C(C)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001496465467 1400749425 /nfs/dbraw/zinc/74/94/25/1400749425.db2.gz YFVHODVWOQAYQA-ICSRJNTNSA-N 2 1 343.515 2.911 10 30 EFEEMP C=C(C)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001496465467 1400749429 /nfs/dbraw/zinc/74/94/29/1400749429.db2.gz YFVHODVWOQAYQA-ICSRJNTNSA-N 2 1 343.515 2.911 10 30 EFEEMP CC#CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001496504610 1400778931 /nfs/dbraw/zinc/77/89/31/1400778931.db2.gz HOWWRPQTFKGBAS-VQTJNVASSA-N 2 1 345.531 2.587 10 30 EFEEMP CC#CC[NH+](C)CCC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001496504610 1400778937 /nfs/dbraw/zinc/77/89/37/1400778937.db2.gz HOWWRPQTFKGBAS-VQTJNVASSA-N 2 1 345.531 2.587 10 30 EFEEMP CC#CC[NH+](C)CCC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001496504610 1400778944 /nfs/dbraw/zinc/77/89/44/1400778944.db2.gz HOWWRPQTFKGBAS-VQTJNVASSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CCC[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001496503770 1400779582 /nfs/dbraw/zinc/77/95/82/1400779582.db2.gz AGXISXNFKXHSFA-FQEVSTJZSA-N 2 1 347.547 2.692 10 30 EFEEMP C#CCC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001496503770 1400779588 /nfs/dbraw/zinc/77/95/88/1400779588.db2.gz AGXISXNFKXHSFA-FQEVSTJZSA-N 2 1 347.547 2.692 10 30 EFEEMP C#CCC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001496503770 1400779593 /nfs/dbraw/zinc/77/95/93/1400779593.db2.gz AGXISXNFKXHSFA-FQEVSTJZSA-N 2 1 347.547 2.692 10 30 EFEEMP CC#CC[N@@H+](C)CCC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001496511388 1400786172 /nfs/dbraw/zinc/78/61/72/1400786172.db2.gz SYBIOWHBMBEJEI-UHFFFAOYSA-N 2 1 347.547 2.691 10 30 EFEEMP CC#CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001496512372 1400787296 /nfs/dbraw/zinc/78/72/96/1400787296.db2.gz FUNZZYOMCQACLK-PMACEKPBSA-N 2 1 347.547 2.691 10 30 EFEEMP CC#CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001496512375 1400787591 /nfs/dbraw/zinc/78/75/91/1400787591.db2.gz FUNZZYOMCQACLK-WOJBJXKFSA-N 2 1 347.547 2.691 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+][C@H](C)c1ccccc1C ZINC001497402691 1401350414 /nfs/dbraw/zinc/35/04/14/1401350414.db2.gz CGEBCTCYIDHCKN-QUCCMNQESA-N 2 1 341.499 2.592 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+][C@H](C)c1ccccc1C ZINC001497402691 1401350416 /nfs/dbraw/zinc/35/04/16/1401350416.db2.gz CGEBCTCYIDHCKN-QUCCMNQESA-N 2 1 341.499 2.592 10 30 EFEEMP C#CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001498489964 1402142325 /nfs/dbraw/zinc/14/23/25/1402142325.db2.gz LRMCTGUOROZOGP-UYAOXDASSA-N 2 1 347.547 2.929 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@H](CC)c1ccccc1 ZINC001498559481 1402175130 /nfs/dbraw/zinc/17/51/30/1402175130.db2.gz FNSKKJYXFCMMNG-UXHICEINSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@H](CC)c1ccccc1 ZINC001498559481 1402175135 /nfs/dbraw/zinc/17/51/35/1402175135.db2.gz FNSKKJYXFCMMNG-UXHICEINSA-N 2 1 341.499 2.673 10 30 EFEEMP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+](C)C1CCC1 ZINC001499491851 1402640031 /nfs/dbraw/zinc/64/00/31/1402640031.db2.gz DXRXEYMQHRHBNA-JLYLLQBASA-N 2 1 333.520 2.939 10 30 EFEEMP C=CCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001499507074 1402648196 /nfs/dbraw/zinc/64/81/96/1402648196.db2.gz ZPBJNLFFSDEMFT-CEXWTWQISA-N 2 1 333.520 2.891 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001499507074 1402648201 /nfs/dbraw/zinc/64/82/01/1402648201.db2.gz ZPBJNLFFSDEMFT-CEXWTWQISA-N 2 1 333.520 2.891 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001499507074 1402648207 /nfs/dbraw/zinc/64/82/07/1402648207.db2.gz ZPBJNLFFSDEMFT-CEXWTWQISA-N 2 1 333.520 2.891 10 30 EFEEMP CC#CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CCCCCC1 ZINC001499519207 1402656725 /nfs/dbraw/zinc/65/67/25/1402656725.db2.gz POYZOSHMCOLNSP-VQTJNVASSA-N 2 1 347.547 2.881 10 30 EFEEMP CC#CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C1CCCCCC1 ZINC001499519207 1402656727 /nfs/dbraw/zinc/65/67/27/1402656727.db2.gz POYZOSHMCOLNSP-VQTJNVASSA-N 2 1 347.547 2.881 10 30 EFEEMP CC#CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C1CCCCCC1 ZINC001499519207 1402656731 /nfs/dbraw/zinc/65/67/31/1402656731.db2.gz POYZOSHMCOLNSP-VQTJNVASSA-N 2 1 347.547 2.881 10 30 EFEEMP C#CCC[N@H+](CCNC(=O)[C@@]12CC[NH+](C1)CCC2)C1CCCCCC1 ZINC001499522404 1402658340 /nfs/dbraw/zinc/65/83/40/1402658340.db2.gz HFISIZUTZNOJHU-NRFANRHFSA-N 2 1 345.531 2.637 10 30 EFEEMP C#CCC[NH+](CCNC(=O)[C@@]12CC[N@H+](C1)CCC2)C1CCCCCC1 ZINC001499522404 1402658344 /nfs/dbraw/zinc/65/83/44/1402658344.db2.gz HFISIZUTZNOJHU-NRFANRHFSA-N 2 1 345.531 2.637 10 30 EFEEMP C#CCC[NH+](CCNC(=O)[C@@]12CC[N@@H+](C1)CCC2)C1CCCCCC1 ZINC001499522404 1402658348 /nfs/dbraw/zinc/65/83/48/1402658348.db2.gz HFISIZUTZNOJHU-NRFANRHFSA-N 2 1 345.531 2.637 10 30 EFEEMP C#CCC[NH+](CC1CC1)C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001499530208 1402664064 /nfs/dbraw/zinc/66/40/64/1402664064.db2.gz FOOJKFJNLJYXGQ-UHFFFAOYSA-N 2 1 347.547 2.691 10 30 EFEEMP C#CCC[N@H+](CC1CC1)C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001499530208 1402664069 /nfs/dbraw/zinc/66/40/69/1402664069.db2.gz FOOJKFJNLJYXGQ-UHFFFAOYSA-N 2 1 347.547 2.691 10 30 EFEEMP C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001499530208 1402664074 /nfs/dbraw/zinc/66/40/74/1402664074.db2.gz FOOJKFJNLJYXGQ-UHFFFAOYSA-N 2 1 347.547 2.691 10 30 EFEEMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001499530603 1402665452 /nfs/dbraw/zinc/66/54/52/1402665452.db2.gz TZPRRJNZZQNGCB-HXUWFJFHSA-N 2 1 347.547 2.996 10 30 EFEEMP C=CCCC[NH+]1CC[C@@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001499606685 1402714176 /nfs/dbraw/zinc/71/41/76/1402714176.db2.gz RRANYWUYDNNPTG-UYAOXDASSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001499606685 1402714179 /nfs/dbraw/zinc/71/41/79/1402714179.db2.gz RRANYWUYDNNPTG-UYAOXDASSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001499606685 1402714182 /nfs/dbraw/zinc/71/41/82/1402714182.db2.gz RRANYWUYDNNPTG-UYAOXDASSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001499613660 1402718699 /nfs/dbraw/zinc/71/86/99/1402718699.db2.gz GNQMRDBVSHPGBR-MJGOQNOKSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001499613654 1402718802 /nfs/dbraw/zinc/71/88/02/1402718802.db2.gz GNQMRDBVSHPGBR-HKUYNNGSSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCCCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001499756351 1402772242 /nfs/dbraw/zinc/77/22/42/1402772242.db2.gz NFCFPJRHLDHJDK-PKOBYXMFSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCCCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001499756351 1402772243 /nfs/dbraw/zinc/77/22/43/1402772243.db2.gz NFCFPJRHLDHJDK-PKOBYXMFSA-N 2 1 333.520 2.892 10 30 EFEEMP C#CCN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)C1CC[NH+](CC(=C)C)CC1 ZINC001500051933 1402914491 /nfs/dbraw/zinc/91/44/91/1402914491.db2.gz MZXWYCIZDXWJGG-QUCCMNQESA-N 2 1 343.515 2.506 10 30 EFEEMP C=CCCC[NH2+]C1(CNC(C)=O)CC[NH+](Cc2ccccc2)CC1 ZINC001508093467 1407293398 /nfs/dbraw/zinc/29/33/98/1407293398.db2.gz VBUUWOWSYXLXRT-UHFFFAOYSA-N 2 1 329.488 2.713 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCC1 ZINC001500106494 1402939676 /nfs/dbraw/zinc/93/96/76/1402939676.db2.gz GMKGENVNNIHYOD-BHYGNILZSA-N 2 1 341.927 2.734 10 30 EFEEMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001500160907 1402962673 /nfs/dbraw/zinc/96/26/73/1402962673.db2.gz GHUOAUSOGCBOKV-NRFANRHFSA-N 2 1 345.531 2.590 10 30 EFEEMP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001500372295 1403080796 /nfs/dbraw/zinc/08/07/96/1403080796.db2.gz LBUPVZFLTVWKPM-TZIWHRDSSA-N 2 1 345.531 2.635 10 30 EFEEMP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001500372292 1403080824 /nfs/dbraw/zinc/08/08/24/1403080824.db2.gz LBUPVZFLTVWKPM-CTNGQTDRSA-N 2 1 345.531 2.635 10 30 EFEEMP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001500392656 1403092042 /nfs/dbraw/zinc/09/20/42/1403092042.db2.gz GFIBCPWORVULTK-CTNGQTDRSA-N 2 1 341.499 2.531 10 30 EFEEMP C#CC[NH+]1CCC(C)(CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001500457616 1403136715 /nfs/dbraw/zinc/13/67/15/1403136715.db2.gz RWDGPXXHUSTNFV-IBGZPJMESA-N 2 1 341.499 2.531 10 30 EFEEMP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1CC ZINC001501022076 1403409554 /nfs/dbraw/zinc/40/95/54/1403409554.db2.gz MSZXOGQPNLDGAQ-MOPGFXCFSA-N 2 1 329.488 2.666 10 30 EFEEMP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001501197277 1403487600 /nfs/dbraw/zinc/48/76/00/1403487600.db2.gz GVSQLFKFADYNCB-FQEVSTJZSA-N 2 1 341.499 2.501 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)CC(C)(C)C ZINC001501399425 1403587741 /nfs/dbraw/zinc/58/77/41/1403587741.db2.gz HCUWPEQTTOHMAJ-ZWKOTPCHSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001501399425 1403587742 /nfs/dbraw/zinc/58/77/42/1403587742.db2.gz HCUWPEQTTOHMAJ-ZWKOTPCHSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001501399425 1403587746 /nfs/dbraw/zinc/58/77/46/1403587746.db2.gz HCUWPEQTTOHMAJ-ZWKOTPCHSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCn1cc[nH+]c1C ZINC001501400882 1403588962 /nfs/dbraw/zinc/58/89/62/1403588962.db2.gz ZSFPYROEYZLENE-ROUUACIJSA-N 2 1 330.476 2.613 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCn1cc[nH+]c1C ZINC001501400882 1403588967 /nfs/dbraw/zinc/58/89/67/1403588967.db2.gz ZSFPYROEYZLENE-ROUUACIJSA-N 2 1 330.476 2.613 10 30 EFEEMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[N@H+](C)CC(C)(C)C)C2)CC1 ZINC001501744454 1403760440 /nfs/dbraw/zinc/76/04/40/1403760440.db2.gz COXGUMDYSMFLOI-UHFFFAOYSA-N 2 1 341.927 2.641 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001501746800 1403762779 /nfs/dbraw/zinc/76/27/79/1403762779.db2.gz RQYSTQKNENAZEY-QZTJIDSGSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001501746801 1403763175 /nfs/dbraw/zinc/76/31/75/1403763175.db2.gz RQYSTQKNENAZEY-ROUUACIJSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCCCC[NH+]1CCC2(CN(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001501749623 1403764437 /nfs/dbraw/zinc/76/44/37/1403764437.db2.gz ZCXAIWNNASKEEJ-UHFFFAOYSA-N 2 1 335.536 2.997 10 30 EFEEMP CC#CC[NH2+]C1(C)CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001502790132 1404345449 /nfs/dbraw/zinc/34/54/49/1404345449.db2.gz RJSXDSCYJZYBCQ-UHFFFAOYSA-N 2 1 333.520 2.635 10 30 EFEEMP CC#CC[NH2+]C1(C)CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001502804318 1404354100 /nfs/dbraw/zinc/35/41/00/1404354100.db2.gz PJIRJPOTEUYKMG-LJQANCHMSA-N 2 1 341.499 2.673 10 30 EFEEMP C=CCC[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001505396695 1404549087 /nfs/dbraw/zinc/54/90/87/1404549087.db2.gz MZSANNPRMPGENA-RBUKOAKNSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001505396695 1404549093 /nfs/dbraw/zinc/54/90/93/1404549093.db2.gz MZSANNPRMPGENA-RBUKOAKNSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[N@H+](CC)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001505396695 1404549097 /nfs/dbraw/zinc/54/90/97/1404549097.db2.gz MZSANNPRMPGENA-RBUKOAKNSA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)CC[N@H+](CC)CC1CCN(C(=O)Cc2[nH]cnc2C)CC1 ZINC001505400233 1404555706 /nfs/dbraw/zinc/55/57/06/1404555706.db2.gz IEFNTMAIEJVWGU-UHFFFAOYSA-N 2 1 332.492 2.787 10 30 EFEEMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C1CCCCC1 ZINC001505440726 1404619748 /nfs/dbraw/zinc/61/97/48/1404619748.db2.gz YVHFNBSTEFHWNG-IBGZPJMESA-N 2 1 333.520 2.587 10 30 EFEEMP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001505440726 1404619761 /nfs/dbraw/zinc/61/97/61/1404619761.db2.gz YVHFNBSTEFHWNG-IBGZPJMESA-N 2 1 333.520 2.587 10 30 EFEEMP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001505440726 1404619773 /nfs/dbraw/zinc/61/97/73/1404619773.db2.gz YVHFNBSTEFHWNG-IBGZPJMESA-N 2 1 333.520 2.587 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1CC ZINC001505465148 1404689740 /nfs/dbraw/zinc/68/97/40/1404689740.db2.gz GIGCXLHPTFBPEX-CVEARBPZSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1CC ZINC001505465148 1404689730 /nfs/dbraw/zinc/68/97/30/1404689730.db2.gz GIGCXLHPTFBPEX-CVEARBPZSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001505465148 1404689708 /nfs/dbraw/zinc/68/97/08/1404689708.db2.gz GIGCXLHPTFBPEX-CVEARBPZSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001505465148 1404689719 /nfs/dbraw/zinc/68/97/19/1404689719.db2.gz GIGCXLHPTFBPEX-CVEARBPZSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001505471888 1404706581 /nfs/dbraw/zinc/70/65/81/1404706581.db2.gz COLYPIWZUMYHQH-RBUKOAKNSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCCC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001505472604 1404707451 /nfs/dbraw/zinc/70/74/51/1404707451.db2.gz IYPINNRDZRTAAK-MOPGFXCFSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001505472604 1404707456 /nfs/dbraw/zinc/70/74/56/1404707456.db2.gz IYPINNRDZRTAAK-MOPGFXCFSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001505472604 1404707458 /nfs/dbraw/zinc/70/74/58/1404707458.db2.gz IYPINNRDZRTAAK-MOPGFXCFSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001505475217 1404711530 /nfs/dbraw/zinc/71/15/30/1404711530.db2.gz INAIJZHIZFTKDV-LJQANCHMSA-N 2 1 335.536 2.855 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC(CC)CC)CC1 ZINC001505782906 1405063359 /nfs/dbraw/zinc/06/33/59/1405063359.db2.gz POYDPMXIDLNPLM-MHJFOBGBSA-N 2 1 347.547 2.879 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC(CC)CC)CC1 ZINC001505782906 1405063362 /nfs/dbraw/zinc/06/33/62/1405063362.db2.gz POYDPMXIDLNPLM-MHJFOBGBSA-N 2 1 347.547 2.879 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC1CCC(C)(C)CC1 ZINC001505938103 1405251495 /nfs/dbraw/zinc/25/14/95/1405251495.db2.gz SLCKKLJLTPFKCA-HKUYNNGSSA-N 2 1 347.547 2.737 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC1CCC(C)(C)CC1 ZINC001505938103 1405251503 /nfs/dbraw/zinc/25/15/03/1405251503.db2.gz SLCKKLJLTPFKCA-HKUYNNGSSA-N 2 1 347.547 2.737 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CC1CCC(C)(C)CC1 ZINC001505938103 1405251509 /nfs/dbraw/zinc/25/15/09/1405251509.db2.gz SLCKKLJLTPFKCA-HKUYNNGSSA-N 2 1 347.547 2.737 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CC1CCC(C)(C)CC1 ZINC001505938103 1405251514 /nfs/dbraw/zinc/25/15/14/1405251514.db2.gz SLCKKLJLTPFKCA-HKUYNNGSSA-N 2 1 347.547 2.737 10 30 EFEEMP C=C(C)CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001506006527 1405338439 /nfs/dbraw/zinc/33/84/39/1405338439.db2.gz YSWKKYQMQGZUNJ-SXLOBPIMSA-N 2 1 343.515 2.735 10 30 EFEEMP C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001506006527 1405338447 /nfs/dbraw/zinc/33/84/47/1405338447.db2.gz YSWKKYQMQGZUNJ-SXLOBPIMSA-N 2 1 343.515 2.735 10 30 EFEEMP C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001506006527 1405338453 /nfs/dbraw/zinc/33/84/53/1405338453.db2.gz YSWKKYQMQGZUNJ-SXLOBPIMSA-N 2 1 343.515 2.735 10 30 EFEEMP C=C(C)C[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001506492421 1405846133 /nfs/dbraw/zinc/84/61/33/1405846133.db2.gz XTNDCFYZRMHUCO-MJGOQNOKSA-N 2 1 346.519 2.793 10 30 EFEEMP C#CC[NH2+]CC1(NC(=O)CC[N@H+](C)C2CCCCC2)CCCCC1 ZINC001506512230 1405885400 /nfs/dbraw/zinc/88/54/00/1405885400.db2.gz FWFGQYXADMJBDT-UHFFFAOYSA-N 2 1 333.520 2.683 10 30 EFEEMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001506565519 1405972725 /nfs/dbraw/zinc/97/27/25/1405972725.db2.gz SONVEPXAEUSOFA-IRXDYDNUSA-N 2 1 332.492 2.943 10 30 EFEEMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001506565519 1405972733 /nfs/dbraw/zinc/97/27/33/1405972733.db2.gz SONVEPXAEUSOFA-IRXDYDNUSA-N 2 1 332.492 2.943 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001566055459 1415494500 /nfs/dbraw/zinc/49/45/00/1415494500.db2.gz WOPQIPJSHNLIMD-HSALFYBXSA-N 2 1 347.547 2.853 10 30 EFEEMP C#CC[N@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC(C)(C)C1 ZINC001566130079 1415528616 /nfs/dbraw/zinc/52/86/16/1415528616.db2.gz OJVMDEQBSMWKLU-IAGOWNOFSA-N 2 1 344.503 2.637 10 30 EFEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC(C)(C)C1 ZINC001566130079 1415528621 /nfs/dbraw/zinc/52/86/21/1415528621.db2.gz OJVMDEQBSMWKLU-IAGOWNOFSA-N 2 1 344.503 2.637 10 30 EFEEMP C=CCCC[NH+]1CCC(N(C)C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001566608973 1415692775 /nfs/dbraw/zinc/69/27/75/1415692775.db2.gz MAVJQEPYSMCWLY-RTBURBONSA-N 2 1 333.520 2.892 10 30 EFEEMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001566692200 1415734175 /nfs/dbraw/zinc/73/41/75/1415734175.db2.gz CAIFRUXAHDMGRI-QGZVFWFLSA-N 2 1 330.476 2.519 10 30 EFEEMP CCCCCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001566694231 1415735547 /nfs/dbraw/zinc/73/55/47/1415735547.db2.gz CEOHUDKAQSCHMT-QZTJIDSGSA-N 2 1 335.536 2.879 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)CCc2cncn2C)C1 ZINC001566746558 1415759038 /nfs/dbraw/zinc/75/90/38/1415759038.db2.gz KWSQGRKUWCMIOS-ZWKOTPCHSA-N 2 1 346.519 2.878 10 30 EFEEMP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](CCC)C1 ZINC001566851345 1415798939 /nfs/dbraw/zinc/79/89/39/1415798939.db2.gz MLLVWYVQQPQYEQ-IBGZPJMESA-N 2 1 329.488 2.617 10 30 EFEEMP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001566897171 1415830475 /nfs/dbraw/zinc/83/04/75/1415830475.db2.gz RYOKOBQSVBCGQU-CVEARBPZSA-N 2 1 348.491 2.533 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001566906377 1415836261 /nfs/dbraw/zinc/83/62/61/1415836261.db2.gz KTBOUIDFTTWDGY-KRWDZBQOSA-N 2 1 332.492 2.801 10 30 EFEEMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001567155167 1415956003 /nfs/dbraw/zinc/95/60/03/1415956003.db2.gz NCEXTXBBEPIZIQ-PKOBYXMFSA-N 2 1 329.488 2.694 10 30 EFEEMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001567155165 1415956329 /nfs/dbraw/zinc/95/63/29/1415956329.db2.gz NCEXTXBBEPIZIQ-IEBWSBKVSA-N 2 1 329.488 2.694 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001567173746 1415969621 /nfs/dbraw/zinc/96/96/21/1415969621.db2.gz WSFLFAASJVIESL-SJORKVTESA-N 2 1 332.492 2.990 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001567173743 1415969662 /nfs/dbraw/zinc/96/96/62/1415969662.db2.gz WSFLFAASJVIESL-DLBZAZTESA-N 2 1 332.492 2.990 10 30 EFEEMP C=CCC[N@H+]1CCC[C@@H]1CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001567254522 1416025789 /nfs/dbraw/zinc/02/57/89/1416025789.db2.gz OYFOTYGELJXUKB-SFHVURJKSA-N 2 1 333.520 2.799 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NCCC[C@@H]2CCC[N@@H+]2C[C@H](C)CC)CC1 ZINC001567266845 1416046484 /nfs/dbraw/zinc/04/64/84/1416046484.db2.gz OASHUZFJCHXJSW-UYAOXDASSA-N 2 1 347.547 2.739 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001567267393 1416046838 /nfs/dbraw/zinc/04/68/38/1416046838.db2.gz XBLHZJIPKOKNFE-FQEVSTJZSA-N 2 1 341.499 2.746 10 30 EFEEMP C#CC[NH2+][C@H](CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)c1ccccc1 ZINC001567661397 1416235323 /nfs/dbraw/zinc/23/53/23/1416235323.db2.gz YCHXLELRHRPCKR-LJQANCHMSA-N 2 1 341.499 2.720 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001567702422 1416254483 /nfs/dbraw/zinc/25/44/83/1416254483.db2.gz CUZDPZZAJJECES-ROUUACIJSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCC[N@H+](C)CC1CCN(C(=O)CN(C)Cc2ccccc2)CC1 ZINC001567752722 1416273460 /nfs/dbraw/zinc/27/34/60/1416273460.db2.gz MCDYEMCVGRUFDL-UHFFFAOYSA-N 2 1 343.515 2.865 10 30 EFEEMP C=CCC[N@@H+](C)CC1CCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001567752722 1416273463 /nfs/dbraw/zinc/27/34/63/1416273463.db2.gz MCDYEMCVGRUFDL-UHFFFAOYSA-N 2 1 343.515 2.865 10 30 EFEEMP C=CCC[N@H+](C)CC1CCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001567752722 1416273466 /nfs/dbraw/zinc/27/34/66/1416273466.db2.gz MCDYEMCVGRUFDL-UHFFFAOYSA-N 2 1 343.515 2.865 10 30 EFEEMP C=CCC[NH+](C)CC1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001567752722 1416273469 /nfs/dbraw/zinc/27/34/69/1416273469.db2.gz MCDYEMCVGRUFDL-UHFFFAOYSA-N 2 1 343.515 2.865 10 30 EFEEMP C=CCC[NH+](C)CC1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001567752722 1416273471 /nfs/dbraw/zinc/27/34/71/1416273471.db2.gz MCDYEMCVGRUFDL-UHFFFAOYSA-N 2 1 343.515 2.865 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](C)CC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001567752254 1416273826 /nfs/dbraw/zinc/27/38/26/1416273826.db2.gz LCXNQWGWMLKOQL-MJGOQNOKSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[C@@H](C)[NH+](C)CC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001567752254 1416273831 /nfs/dbraw/zinc/27/38/31/1416273831.db2.gz LCXNQWGWMLKOQL-MJGOQNOKSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[C@@H](C)[NH+](C)CC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001567752254 1416273834 /nfs/dbraw/zinc/27/38/34/1416273834.db2.gz LCXNQWGWMLKOQL-MJGOQNOKSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCCC1 ZINC001567866266 1416303765 /nfs/dbraw/zinc/30/37/65/1416303765.db2.gz JXQMNUWAGFAVKP-FHWLQOOXSA-N 2 1 333.520 2.892 10 30 EFEEMP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001567940603 1416335840 /nfs/dbraw/zinc/33/58/40/1416335840.db2.gz JLZAJINKWVQLGM-LJQANCHMSA-N 2 1 333.520 2.587 10 30 EFEEMP CC#CC[NH+]1CC[C@@H](N(CC)C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001567940603 1416335844 /nfs/dbraw/zinc/33/58/44/1416335844.db2.gz JLZAJINKWVQLGM-LJQANCHMSA-N 2 1 333.520 2.587 10 30 EFEEMP CC#CC[NH+]1CC[C@@H](N(CC)C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001567940603 1416335847 /nfs/dbraw/zinc/33/58/47/1416335847.db2.gz JLZAJINKWVQLGM-LJQANCHMSA-N 2 1 333.520 2.587 10 30 EFEEMP CC#CC[NH2+]C[C@]1(NC(=O)C[N@@H+](C)CC(C)(C)C)CCCC[C@H]1C ZINC001568040098 1416371474 /nfs/dbraw/zinc/37/14/74/1416371474.db2.gz JEPWDTGEANYMBN-YLJYHZDGSA-N 2 1 335.536 2.642 10 30 EFEEMP C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001568056575 1416382501 /nfs/dbraw/zinc/38/25/01/1416382501.db2.gz GJVQUFABTAZABH-IAGOWNOFSA-N 2 1 341.927 2.830 10 30 EFEEMP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001568070764 1416394321 /nfs/dbraw/zinc/39/43/21/1416394321.db2.gz YCERMFINLFXGBM-KRWDZBQOSA-N 2 1 332.492 2.801 10 30 EFEEMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC001568121747 1416418278 /nfs/dbraw/zinc/41/82/78/1416418278.db2.gz MRYXNEXSJFDIRL-HXUWFJFHSA-N 2 1 337.467 2.881 10 30 EFEEMP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001568146331 1416424966 /nfs/dbraw/zinc/42/49/66/1416424966.db2.gz QZOPMRJIVQIKRH-VQIMIIECSA-N 2 1 339.499 2.746 10 30 EFEEMP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001568146330 1416425190 /nfs/dbraw/zinc/42/51/90/1416425190.db2.gz QZOPMRJIVQIKRH-APWZRJJASA-N 2 1 339.499 2.746 10 30 EFEEMP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001568330917 1416479438 /nfs/dbraw/zinc/47/94/38/1416479438.db2.gz HTXIRXHBELYOLJ-IEBWSBKVSA-N 2 1 333.520 2.537 10 30 EFEEMP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001568330919 1416479591 /nfs/dbraw/zinc/47/95/91/1416479591.db2.gz HTXIRXHBELYOLJ-PKOBYXMFSA-N 2 1 333.520 2.537 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC001568348847 1416486059 /nfs/dbraw/zinc/48/60/59/1416486059.db2.gz KLVBOKHSUXXLGX-MJGOQNOKSA-N 2 1 335.536 2.949 10 30 EFEEMP C=CC[N@H+](CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C(C)C ZINC001691751600 1416665249 /nfs/dbraw/zinc/66/52/49/1416665249.db2.gz NHBVKSLGZXPZJI-GOSISDBHSA-N 2 1 327.488 2.602 10 30 EFEEMP C=CC[NH+](CCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C(C)C ZINC001691751600 1416665251 /nfs/dbraw/zinc/66/52/51/1416665251.db2.gz NHBVKSLGZXPZJI-GOSISDBHSA-N 2 1 327.488 2.602 10 30 EFEEMP C=CC[NH+](CCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001691751600 1416665252 /nfs/dbraw/zinc/66/52/52/1416665252.db2.gz NHBVKSLGZXPZJI-GOSISDBHSA-N 2 1 327.488 2.602 10 30 EFEEMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001690123544 1417158945 /nfs/dbraw/zinc/15/89/45/1417158945.db2.gz RNCUNULFTQOGRO-LJQANCHMSA-N 2 1 345.531 2.635 10 30 EFEEMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001690123543 1417159042 /nfs/dbraw/zinc/15/90/42/1417159042.db2.gz RNCUNULFTQOGRO-IBGZPJMESA-N 2 1 345.531 2.635 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H](C)CC(C)C)[C@@H]2C)CC1 ZINC001692236621 1417265725 /nfs/dbraw/zinc/26/57/25/1417265725.db2.gz IJQBNKJLEZWTKD-GGPKGHCWSA-N 2 1 347.547 2.593 10 30 EFEEMP CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001692329818 1417278158 /nfs/dbraw/zinc/27/81/58/1417278158.db2.gz NVSHXSBVFCPTQB-OALUTQOASA-N 2 1 333.520 2.633 10 30 EFEEMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CCCC1 ZINC001698804097 1417337724 /nfs/dbraw/zinc/33/77/24/1417337724.db2.gz ROHZZGMITVSWQW-ROUUACIJSA-N 2 1 333.520 2.988 10 30 EFEEMP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001698921103 1417346765 /nfs/dbraw/zinc/34/67/65/1417346765.db2.gz QBIPTLYBYDRXEW-SFHVURJKSA-N 2 1 332.492 2.909 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]21 ZINC001699020250 1417371944 /nfs/dbraw/zinc/37/19/44/1417371944.db2.gz MRJFAPFJRZATIS-QZTJIDSGSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)CC[C@H]21 ZINC001699020250 1417371949 /nfs/dbraw/zinc/37/19/49/1417371949.db2.gz MRJFAPFJRZATIS-QZTJIDSGSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)CC[C@H]21 ZINC001699020250 1417371952 /nfs/dbraw/zinc/37/19/52/1417371952.db2.gz MRJFAPFJRZATIS-QZTJIDSGSA-N 2 1 335.536 2.853 10 30 EFEEMP CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001699021427 1417373731 /nfs/dbraw/zinc/37/37/31/1417373731.db2.gz JSOWMGQNQKRYPL-FUHWJXTLSA-N 2 1 333.520 2.537 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)CCC)C1 ZINC001699672993 1417445951 /nfs/dbraw/zinc/44/59/51/1417445951.db2.gz IETCJOMIFDXTGQ-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001699672993 1417445954 /nfs/dbraw/zinc/44/59/54/1417445954.db2.gz IETCJOMIFDXTGQ-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001699672993 1417445957 /nfs/dbraw/zinc/44/59/57/1417445957.db2.gz IETCJOMIFDXTGQ-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C#CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC[NH+](CC=C(C)C)CC1 ZINC001699782074 1417467794 /nfs/dbraw/zinc/46/77/94/1417467794.db2.gz IDHMORLPRGCOMB-FQEVSTJZSA-N 2 1 345.531 2.752 10 30 EFEEMP C#CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001699785178 1417468316 /nfs/dbraw/zinc/46/83/16/1417468316.db2.gz GYVUGZXDMMJDGT-RBUKOAKNSA-N 2 1 345.531 2.609 10 30 EFEEMP C=CCCC[NH+]1CCC(C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001699865032 1417484830 /nfs/dbraw/zinc/48/48/30/1417484830.db2.gz JLJGLBFRIFQLCV-ROUUACIJSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001699875899 1417492092 /nfs/dbraw/zinc/49/20/92/1417492092.db2.gz WZOGDWARUSIZLX-UYAOXDASSA-N 2 1 333.520 2.513 10 30 EFEEMP C=C(C)C[NH2+][C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccccc1CC ZINC001699929802 1417510569 /nfs/dbraw/zinc/51/05/69/1417510569.db2.gz AJPLHINJJYOCGA-YLJYHZDGSA-N 2 1 343.515 2.914 10 30 EFEEMP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001699980175 1417535833 /nfs/dbraw/zinc/53/58/33/1417535833.db2.gz WUZBSODGUNGTNR-MUGJNUQGSA-N 2 1 345.531 2.539 10 30 EFEEMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1(C)C ZINC001700942193 1417691580 /nfs/dbraw/zinc/69/15/80/1417691580.db2.gz LKOQTZALHUKVSV-RTBURBONSA-N 2 1 345.531 2.633 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001713224666 1418397932 /nfs/dbraw/zinc/39/79/32/1418397932.db2.gz ZPBPJEOYEFCXBU-OALUTQOASA-N 2 1 335.536 2.901 10 30 EFEEMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001713257253 1418426029 /nfs/dbraw/zinc/42/60/29/1418426029.db2.gz YQPSTRXCDSCJBB-PMACEKPBSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001713257253 1418426033 /nfs/dbraw/zinc/42/60/33/1418426033.db2.gz YQPSTRXCDSCJBB-PMACEKPBSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001713257253 1418426036 /nfs/dbraw/zinc/42/60/36/1418426036.db2.gz YQPSTRXCDSCJBB-PMACEKPBSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001713257253 1418426039 /nfs/dbraw/zinc/42/60/39/1418426039.db2.gz YQPSTRXCDSCJBB-PMACEKPBSA-N 2 1 341.499 2.673 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001713275893 1418445655 /nfs/dbraw/zinc/44/56/55/1418445655.db2.gz OGOJXYFZIIJROR-JKSUJKDBSA-N 2 1 348.491 2.533 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001713275893 1418445658 /nfs/dbraw/zinc/44/56/58/1418445658.db2.gz OGOJXYFZIIJROR-JKSUJKDBSA-N 2 1 348.491 2.533 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001713277408 1418447126 /nfs/dbraw/zinc/44/71/26/1418447126.db2.gz IJWAAKLVFNEEPG-RBUKOAKNSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CC[NH2+]C1CCC(NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001713291629 1418458173 /nfs/dbraw/zinc/45/81/73/1418458173.db2.gz SCRBUWSZNSZVRJ-ACBHZAAOSA-N 2 1 329.488 2.882 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001713442653 1418540043 /nfs/dbraw/zinc/54/00/43/1418540043.db2.gz DHAVAVOUWYUSIL-ICSRJNTNSA-N 2 1 333.520 2.799 10 30 EFEEMP C=CCCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001713442653 1418540051 /nfs/dbraw/zinc/54/00/51/1418540051.db2.gz DHAVAVOUWYUSIL-ICSRJNTNSA-N 2 1 333.520 2.799 10 30 EFEEMP C=CCCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001713442653 1418540059 /nfs/dbraw/zinc/54/00/59/1418540059.db2.gz DHAVAVOUWYUSIL-ICSRJNTNSA-N 2 1 333.520 2.799 10 30 EFEEMP C=C(C)CC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001716294123 1418755762 /nfs/dbraw/zinc/75/57/62/1418755762.db2.gz QFCPPKDGNGJMJS-HPFMTEOYSA-N 2 1 333.520 2.869 10 30 EFEEMP C=CCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1CC ZINC001716639493 1418934316 /nfs/dbraw/zinc/93/43/16/1418934316.db2.gz OIWPYOPIMIUDSJ-IRXDYDNUSA-N 2 1 332.492 2.799 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001716668094 1418950159 /nfs/dbraw/zinc/95/01/59/1418950159.db2.gz NNSDWZCFYBBKEZ-VQIMIIECSA-N 2 1 333.520 2.654 10 30 EFEEMP CC#CC[N@@H+](CCNC(=O)[C@@H](C)Cc1c[nH]cn1)C1CCCCCC1 ZINC001716713496 1418969113 /nfs/dbraw/zinc/96/91/13/1418969113.db2.gz LGKIKWUIGJXSEG-KRWDZBQOSA-N 2 1 344.503 2.753 10 30 EFEEMP C=CCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001716724212 1418975433 /nfs/dbraw/zinc/97/54/33/1418975433.db2.gz CPNBLSXRQJDFSA-UYAOXDASSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001716724212 1418975434 /nfs/dbraw/zinc/97/54/34/1418975434.db2.gz CPNBLSXRQJDFSA-UYAOXDASSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001716724212 1418975435 /nfs/dbraw/zinc/97/54/35/1418975435.db2.gz CPNBLSXRQJDFSA-UYAOXDASSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001716731481 1418981598 /nfs/dbraw/zinc/98/15/98/1418981598.db2.gz MWVJURFTNZOJJS-QUCCMNQESA-N 2 1 345.531 2.894 10 30 EFEEMP C=CCCCCC[NH+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001716734927 1418984637 /nfs/dbraw/zinc/98/46/37/1418984637.db2.gz GDSLPSROUXIULK-PZJWPPBQSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001716734927 1418984640 /nfs/dbraw/zinc/98/46/40/1418984640.db2.gz GDSLPSROUXIULK-PZJWPPBQSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001716734927 1418984642 /nfs/dbraw/zinc/98/46/42/1418984642.db2.gz GDSLPSROUXIULK-PZJWPPBQSA-N 2 1 347.547 2.999 10 30 EFEEMP C#CCN(C(=O)Cn1cc[nH+]c1C(C)C)C1CC[NH+](CC(=C)C)CC1 ZINC001716810240 1419023411 /nfs/dbraw/zinc/02/34/11/1419023411.db2.gz KDYIYHGHWSCHSP-UHFFFAOYSA-N 2 1 342.487 2.509 10 30 EFEEMP C#CCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)C1CC[NH+](CCC=C)CC1 ZINC001716809953 1419023528 /nfs/dbraw/zinc/02/35/28/1419023528.db2.gz YOHXSZKCTBKQST-IBGZPJMESA-N 2 1 345.531 2.611 10 30 EFEEMP C#CCN(C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)C1CC[NH+](CCC=C)CC1 ZINC001716810680 1419024107 /nfs/dbraw/zinc/02/41/07/1419024107.db2.gz ZQLHOPPTBAEBAP-AZUAARDMSA-N 2 1 343.515 2.506 10 30 EFEEMP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CCCC1 ZINC001716818054 1419029400 /nfs/dbraw/zinc/02/94/00/1419029400.db2.gz VUAONPFJGZWYNU-VQTJNVASSA-N 2 1 345.531 2.681 10 30 EFEEMP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001716896422 1419082616 /nfs/dbraw/zinc/08/26/16/1419082616.db2.gz NEWNKBIPAHEUEG-OAQYLSRUSA-N 2 1 347.547 2.883 10 30 EFEEMP CC#CC[NH+]1CCC[C@](C)(CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001716896422 1419082618 /nfs/dbraw/zinc/08/26/18/1419082618.db2.gz NEWNKBIPAHEUEG-OAQYLSRUSA-N 2 1 347.547 2.883 10 30 EFEEMP CC#CC[NH+]1CCC[C@](C)(CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001716896422 1419082621 /nfs/dbraw/zinc/08/26/21/1419082621.db2.gz NEWNKBIPAHEUEG-OAQYLSRUSA-N 2 1 347.547 2.883 10 30 EFEEMP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001716903158 1419088436 /nfs/dbraw/zinc/08/84/36/1419088436.db2.gz YHVAXHWACDPVJB-QUCCMNQESA-N 2 1 329.488 2.694 10 30 EFEEMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001716903158 1419088443 /nfs/dbraw/zinc/08/84/43/1419088443.db2.gz YHVAXHWACDPVJB-QUCCMNQESA-N 2 1 329.488 2.694 10 30 EFEEMP C=CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001716910167 1419092330 /nfs/dbraw/zinc/09/23/30/1419092330.db2.gz DADFMPPYFMVZEZ-JKSUJKDBSA-N 2 1 343.462 2.510 10 30 EFEEMP C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001716910167 1419092334 /nfs/dbraw/zinc/09/23/34/1419092334.db2.gz DADFMPPYFMVZEZ-JKSUJKDBSA-N 2 1 343.462 2.510 10 30 EFEEMP C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001716910167 1419092339 /nfs/dbraw/zinc/09/23/39/1419092339.db2.gz DADFMPPYFMVZEZ-JKSUJKDBSA-N 2 1 343.462 2.510 10 30 EFEEMP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1CC ZINC001716954032 1419108066 /nfs/dbraw/zinc/10/80/66/1419108066.db2.gz MQKBEXNIOOUHBR-SUMDDJOVSA-N 2 1 329.488 2.522 10 30 EFEEMP C#CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001717005102 1419141002 /nfs/dbraw/zinc/14/10/02/1419141002.db2.gz NKLIKNBMEYREBT-HXUWFJFHSA-N 2 1 341.499 2.501 10 30 EFEEMP CC#CC[NH2+]CCN(Cc1ccccc1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001717005735 1419141706 /nfs/dbraw/zinc/14/17/06/1419141706.db2.gz MNYIVCNCWMUXIT-HXUWFJFHSA-N 2 1 341.499 2.503 10 30 EFEEMP C#CCC[N@H+](C)Cc1ccccc1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001717112935 1419217339 /nfs/dbraw/zinc/21/73/39/1419217339.db2.gz QNMXCHBGFMEDNJ-FQEVSTJZSA-N 2 1 341.499 2.632 10 30 EFEEMP C#CCC[NH+](C)Cc1ccccc1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001717112935 1419217342 /nfs/dbraw/zinc/21/73/42/1419217342.db2.gz QNMXCHBGFMEDNJ-FQEVSTJZSA-N 2 1 341.499 2.632 10 30 EFEEMP C#CCC[NH+](C)Cc1ccccc1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001717112935 1419217344 /nfs/dbraw/zinc/21/73/44/1419217344.db2.gz QNMXCHBGFMEDNJ-FQEVSTJZSA-N 2 1 341.499 2.632 10 30 EFEEMP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)cc1 ZINC001717115861 1419219718 /nfs/dbraw/zinc/21/97/18/1419219718.db2.gz PIVJJIZTQMWBRA-FXAWDEMLSA-N 2 1 341.499 2.709 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]CCCC)cc1 ZINC001717116400 1419220513 /nfs/dbraw/zinc/22/05/13/1419220513.db2.gz UHCVPTNTTAZMQI-XLIONFOSSA-N 2 1 341.499 2.851 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]CCCC)cc1 ZINC001717116400 1419220516 /nfs/dbraw/zinc/22/05/16/1419220516.db2.gz UHCVPTNTTAZMQI-XLIONFOSSA-N 2 1 341.499 2.851 10 30 EFEEMP C=CCC[C@@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001717122337 1419224162 /nfs/dbraw/zinc/22/41/62/1419224162.db2.gz AGILBNXEXWZCJX-NCXUSEDFSA-N 2 1 335.536 2.948 10 30 EFEEMP C#CCC[NH+]1CCC(CCCCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001717242987 1419284711 /nfs/dbraw/zinc/28/47/11/1419284711.db2.gz UIHUAAGFAZGHPJ-UYAOXDASSA-N 2 1 347.547 2.739 10 30 EFEEMP C=CCCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001717300650 1419315103 /nfs/dbraw/zinc/31/51/03/1419315103.db2.gz NSHCAOYPDJIYDR-KRWDZBQOSA-N 2 1 344.503 2.691 10 30 EFEEMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C(C)(C)C1 ZINC001717311559 1419323653 /nfs/dbraw/zinc/32/36/53/1419323653.db2.gz CUWGJLHUWHWRGJ-MOPGFXCFSA-N 2 1 341.499 2.529 10 30 EFEEMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C(C)(C)C1 ZINC001717311559 1419323656 /nfs/dbraw/zinc/32/36/56/1419323656.db2.gz CUWGJLHUWHWRGJ-MOPGFXCFSA-N 2 1 341.499 2.529 10 30 EFEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C(C)(C)C1 ZINC001717311559 1419323659 /nfs/dbraw/zinc/32/36/59/1419323659.db2.gz CUWGJLHUWHWRGJ-MOPGFXCFSA-N 2 1 341.499 2.529 10 30 EFEEMP C=CCC[N@H+](CC)CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001717357095 1419351495 /nfs/dbraw/zinc/35/14/95/1419351495.db2.gz WZWOWCJOKGGSIT-UHFFFAOYSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001717368775 1419362327 /nfs/dbraw/zinc/36/23/27/1419362327.db2.gz FMGDEEBHXWTCBV-ZWKOTPCHSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001717374032 1419366690 /nfs/dbraw/zinc/36/66/90/1419366690.db2.gz QDDUPTRATMCIJN-FQEVSTJZSA-N 2 1 347.547 2.997 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@H+](C)[C@H](C)CCC=C)CC1 ZINC001717376573 1419368095 /nfs/dbraw/zinc/36/80/95/1419368095.db2.gz UCCICDXJBDEWOD-UYAOXDASSA-N 2 1 345.531 2.609 10 30 EFEEMP C#CC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@H+](C)CCCCCC)C2)C1 ZINC001717377462 1419368902 /nfs/dbraw/zinc/36/89/02/1419368902.db2.gz CDSUGAXJZPSLJI-PMACEKPBSA-N 2 1 347.547 2.692 10 30 EFEEMP C#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)CCCCCC)C2)C1 ZINC001717377462 1419368907 /nfs/dbraw/zinc/36/89/07/1419368907.db2.gz CDSUGAXJZPSLJI-PMACEKPBSA-N 2 1 347.547 2.692 10 30 EFEEMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)CCCCCC)C2)C1 ZINC001717377462 1419368910 /nfs/dbraw/zinc/36/89/10/1419368910.db2.gz CDSUGAXJZPSLJI-PMACEKPBSA-N 2 1 347.547 2.692 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001717377239 1419369065 /nfs/dbraw/zinc/36/90/65/1419369065.db2.gz AQXXKXJKZZGKFZ-OALUTQOASA-N 2 1 345.531 2.609 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)CC[N@H+](C)CC)CC2)C1 ZINC001717377811 1419369834 /nfs/dbraw/zinc/36/98/34/1419369834.db2.gz OREKQXSMACKSCS-LJQANCHMSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001717377811 1419369837 /nfs/dbraw/zinc/36/98/37/1419369837.db2.gz OREKQXSMACKSCS-LJQANCHMSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001717377811 1419369841 /nfs/dbraw/zinc/36/98/41/1419369841.db2.gz OREKQXSMACKSCS-LJQANCHMSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)C[NH2+]CC1(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CCCCC1 ZINC001717523759 1419426653 /nfs/dbraw/zinc/42/66/53/1419426653.db2.gz DFWCSGMOVFJQQA-MSOLQXFVSA-N 2 1 333.520 2.988 10 30 EFEEMP C=CCCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001717629229 1419477997 /nfs/dbraw/zinc/47/79/97/1419477997.db2.gz NKBQPRWYFXFVQC-LJQANCHMSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001717629229 1419477998 /nfs/dbraw/zinc/47/79/98/1419477998.db2.gz NKBQPRWYFXFVQC-LJQANCHMSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001717629229 1419478000 /nfs/dbraw/zinc/47/80/00/1419478000.db2.gz NKBQPRWYFXFVQC-LJQANCHMSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@@]2(C)C1 ZINC001717631278 1419479082 /nfs/dbraw/zinc/47/90/82/1419479082.db2.gz RBVRIIAPMNKOTC-UKAVVXHISA-N 2 1 347.547 2.996 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@@]2(C)C1 ZINC001717631278 1419479084 /nfs/dbraw/zinc/47/90/84/1419479084.db2.gz RBVRIIAPMNKOTC-UKAVVXHISA-N 2 1 347.547 2.996 10 30 EFEEMP C=CCCCCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001717830706 1419562409 /nfs/dbraw/zinc/56/24/09/1419562409.db2.gz BATPHTSWCKODMM-NLWGTHIKSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCCCCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001717830706 1419562410 /nfs/dbraw/zinc/56/24/10/1419562410.db2.gz BATPHTSWCKODMM-NLWGTHIKSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001717830706 1419562412 /nfs/dbraw/zinc/56/24/12/1419562412.db2.gz BATPHTSWCKODMM-NLWGTHIKSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001717830706 1419562413 /nfs/dbraw/zinc/56/24/13/1419562413.db2.gz BATPHTSWCKODMM-NLWGTHIKSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCC[NH2+]C[C@@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1)C(C)(C)C ZINC001717970970 1419634872 /nfs/dbraw/zinc/63/48/72/1419634872.db2.gz VUUHTFFYZBOURW-QGZVFWFLSA-N 2 1 341.459 2.578 10 30 EFEEMP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001717980708 1419640144 /nfs/dbraw/zinc/64/01/44/1419640144.db2.gz IHYBYGLDTAHKFF-VQIMIIECSA-N 2 1 329.488 2.692 10 30 EFEEMP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)c(F)c1 ZINC001718036434 1419673837 /nfs/dbraw/zinc/67/38/37/1419673837.db2.gz NGDUYFBEPVVWMX-FQEVSTJZSA-N 2 1 345.462 2.594 10 30 EFEEMP C#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001722945684 1424379449 /nfs/dbraw/zinc/37/94/49/1424379449.db2.gz QQSPRXCORGABBP-HKUYNNGSSA-N 2 1 333.520 2.539 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@@H](C)c1ccccc1C ZINC001723044534 1424410143 /nfs/dbraw/zinc/41/01/43/1424410143.db2.gz ZGZPMOLMUJRERK-ICSRJNTNSA-N 2 1 341.499 2.592 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@@H](C)c1ccccc1C ZINC001723044534 1424410146 /nfs/dbraw/zinc/41/01/46/1424410146.db2.gz ZGZPMOLMUJRERK-ICSRJNTNSA-N 2 1 341.499 2.592 10 30 EFEEMP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001723616402 1424537309 /nfs/dbraw/zinc/53/73/09/1424537309.db2.gz AJAGHRCFJAWVPM-QBUWPKIASA-N 2 1 333.520 2.796 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C)CC1 ZINC001723632172 1424540091 /nfs/dbraw/zinc/54/00/91/1424540091.db2.gz MYWDWWSZOVJZAA-QRQLOZEOSA-N 2 1 333.520 2.748 10 30 EFEEMP C#CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CCCCCC1 ZINC001723640305 1424543180 /nfs/dbraw/zinc/54/31/80/1424543180.db2.gz MEXWSIYTKANYOU-HXUWFJFHSA-N 2 1 347.547 2.881 10 30 EFEEMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN(C)Cc3ccccc3)C2)C1 ZINC001723691051 1424558226 /nfs/dbraw/zinc/55/82/26/1424558226.db2.gz MEYVOKYIASHSTM-OAQYLSRUSA-N 2 1 341.499 2.619 10 30 EFEEMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+](C)Cc3ccccc3)C2)C1 ZINC001723691051 1424558231 /nfs/dbraw/zinc/55/82/31/1424558231.db2.gz MEYVOKYIASHSTM-OAQYLSRUSA-N 2 1 341.499 2.619 10 30 EFEEMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+](C)Cc3ccccc3)C2)C1 ZINC001723691051 1424558234 /nfs/dbraw/zinc/55/82/34/1424558234.db2.gz MEYVOKYIASHSTM-OAQYLSRUSA-N 2 1 341.499 2.619 10 30 EFEEMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)Cc3ccccc3)C2)C1 ZINC001723691051 1424558239 /nfs/dbraw/zinc/55/82/39/1424558239.db2.gz MEYVOKYIASHSTM-OAQYLSRUSA-N 2 1 341.499 2.619 10 30 EFEEMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)Cc3ccccc3)C2)C1 ZINC001723691051 1424558244 /nfs/dbraw/zinc/55/82/44/1424558244.db2.gz MEYVOKYIASHSTM-OAQYLSRUSA-N 2 1 341.499 2.619 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001723692037 1424558781 /nfs/dbraw/zinc/55/87/81/1424558781.db2.gz VZLXDHXHCYESTI-FQEVSTJZSA-N 2 1 344.503 2.862 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001723692037 1424558787 /nfs/dbraw/zinc/55/87/87/1424558787.db2.gz VZLXDHXHCYESTI-FQEVSTJZSA-N 2 1 344.503 2.862 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001723727271 1424570699 /nfs/dbraw/zinc/57/06/99/1424570699.db2.gz QPMHOSZICFGBFZ-ICSRJNTNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)[C@H](C)C1 ZINC001723864660 1424598798 /nfs/dbraw/zinc/59/87/98/1424598798.db2.gz XBKAIIUMYLZGDV-QUCCMNQESA-N 2 1 343.515 2.706 10 30 EFEEMP C#CC[NH2+]C[C@@H](NC(=O)C[N@H+](C)C(C)C)c1ccc2ccccc2c1 ZINC001724071448 1424645123 /nfs/dbraw/zinc/64/51/23/1424645123.db2.gz MCJLSOCOKKWGII-HXUWFJFHSA-N 2 1 337.467 2.560 10 30 EFEEMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C1CCCC1 ZINC001724094268 1424654184 /nfs/dbraw/zinc/65/41/84/1424654184.db2.gz HITWNZIGBLOPGQ-UXHICEINSA-N 2 1 345.531 2.681 10 30 EFEEMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001724125271 1424666823 /nfs/dbraw/zinc/66/68/23/1424666823.db2.gz CDLWVYMXYCDAMO-IEBWSBKVSA-N 2 1 339.499 2.557 10 30 EFEEMP C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001724380204 1424752398 /nfs/dbraw/zinc/75/23/98/1424752398.db2.gz MMWQWARJCAVPHD-HNNXBMFYSA-N 2 1 343.462 2.510 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001724597982 1424814264 /nfs/dbraw/zinc/81/42/64/1424814264.db2.gz FNAVXFMJCTWRJU-FKSLSLAPSA-N 2 1 333.520 2.652 10 30 EFEEMP C=CCC[C@H](C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001724597982 1424814277 /nfs/dbraw/zinc/81/42/77/1424814277.db2.gz FNAVXFMJCTWRJU-FKSLSLAPSA-N 2 1 333.520 2.652 10 30 EFEEMP C=CCC[C@H](C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001724597982 1424814292 /nfs/dbraw/zinc/81/42/92/1424814292.db2.gz FNAVXFMJCTWRJU-FKSLSLAPSA-N 2 1 333.520 2.652 10 30 EFEEMP CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2C1 ZINC001724623822 1424848883 /nfs/dbraw/zinc/84/88/83/1424848883.db2.gz TZRQPVTUTOQFQG-KDURUIRLSA-N 2 1 347.547 2.975 10 30 EFEEMP C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)Cc3c[nH]cn3)C[C@H]2C1 ZINC001724632473 1424856568 /nfs/dbraw/zinc/85/65/68/1424856568.db2.gz XBNQNUMZQTUOBO-OKZBNKHCSA-N 2 1 344.503 2.725 10 30 EFEEMP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)CC[C@H]2CCC[N@H+]2C)cc1 ZINC001724744208 1424973186 /nfs/dbraw/zinc/97/31/86/1424973186.db2.gz OKPIEZISTLCGIO-YLJYHZDGSA-N 2 1 341.499 2.851 10 30 EFEEMP C=C(C)C[NH+]1CCc2c(CNC(=O)C[C@H]3CC[N@H+](C)C3)cccc2C1 ZINC001724776184 1425003421 /nfs/dbraw/zinc/00/34/21/1425003421.db2.gz HNVBYKLTNNXIAY-QGZVFWFLSA-N 2 1 341.499 2.579 10 30 EFEEMP C=C(C)C[N@H+]1CCc2c(CNC(=O)C[C@H]3CC[NH+](C)C3)cccc2C1 ZINC001724776184 1425003428 /nfs/dbraw/zinc/00/34/28/1425003428.db2.gz HNVBYKLTNNXIAY-QGZVFWFLSA-N 2 1 341.499 2.579 10 30 EFEEMP C=C(C)C[N@@H+]1CCc2c(CNC(=O)C[C@H]3CC[NH+](C)C3)cccc2C1 ZINC001724776184 1425003432 /nfs/dbraw/zinc/00/34/32/1425003432.db2.gz HNVBYKLTNNXIAY-QGZVFWFLSA-N 2 1 341.499 2.579 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001724866087 1425082245 /nfs/dbraw/zinc/08/22/45/1425082245.db2.gz ZVPNUTZVXJFEHM-OALUTQOASA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001724901307 1425121597 /nfs/dbraw/zinc/12/15/97/1425121597.db2.gz YMVIWMSKYTXKRA-OAQYLSRUSA-N 2 1 347.547 2.999 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCC(C)C)[C@H](C)C2)CC1 ZINC001725000085 1425214110 /nfs/dbraw/zinc/21/41/10/1425214110.db2.gz FZNAXQLTPMOBNX-UYAOXDASSA-N 2 1 347.547 2.737 10 30 EFEEMP C#CCC[N@H+](CC)CC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001725026310 1425236370 /nfs/dbraw/zinc/23/63/70/1425236370.db2.gz KVRXZVBLZCMPTP-LJQANCHMSA-N 2 1 347.547 2.835 10 30 EFEEMP C=CCC[N@H+](CC)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001725026096 1425236859 /nfs/dbraw/zinc/23/68/59/1425236859.db2.gz QRBBLGAPJPHFEL-HDICACEKSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[NH+](CC)CC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001725026096 1425236861 /nfs/dbraw/zinc/23/68/61/1425236861.db2.gz QRBBLGAPJPHFEL-HDICACEKSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[NH+](CC)CC1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001725026096 1425236864 /nfs/dbraw/zinc/23/68/64/1425236864.db2.gz QRBBLGAPJPHFEL-HDICACEKSA-N 2 1 335.536 2.996 10 30 EFEEMP CC#CC[N@@H+](CC)CC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001725027003 1425238415 /nfs/dbraw/zinc/23/84/15/1425238415.db2.gz MWVTVBMUASCNRK-UHFFFAOYSA-N 2 1 344.503 2.590 10 30 EFEEMP CC#CC[N@H+](CC)CC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001725027003 1425238417 /nfs/dbraw/zinc/23/84/17/1425238417.db2.gz MWVTVBMUASCNRK-UHFFFAOYSA-N 2 1 344.503 2.590 10 30 EFEEMP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001725045612 1425258420 /nfs/dbraw/zinc/25/84/20/1425258420.db2.gz YAGPLFAVVNIEAP-GOSISDBHSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001725056012 1425266224 /nfs/dbraw/zinc/26/62/24/1425266224.db2.gz PWDWXDPNCZCPDS-LJQANCHMSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)C[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001725055593 1425266256 /nfs/dbraw/zinc/26/62/56/1425266256.db2.gz MUMAHBVECVAYIT-RBUKOAKNSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001725055593 1425266262 /nfs/dbraw/zinc/26/62/62/1425266262.db2.gz MUMAHBVECVAYIT-RBUKOAKNSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001725055593 1425266267 /nfs/dbraw/zinc/26/62/67/1425266267.db2.gz MUMAHBVECVAYIT-RBUKOAKNSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001725056248 1425268340 /nfs/dbraw/zinc/26/83/40/1425268340.db2.gz SHNOZHCEGMPEMD-LJQANCHMSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001725056248 1425268349 /nfs/dbraw/zinc/26/83/49/1425268349.db2.gz SHNOZHCEGMPEMD-LJQANCHMSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001725056248 1425268358 /nfs/dbraw/zinc/26/83/58/1425268358.db2.gz SHNOZHCEGMPEMD-LJQANCHMSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001725058998 1425270400 /nfs/dbraw/zinc/27/04/00/1425270400.db2.gz NEAZZRVBCOHGAZ-OALUTQOASA-N 2 1 347.547 2.855 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001725175713 1425356091 /nfs/dbraw/zinc/35/60/91/1425356091.db2.gz NISBWLXEFMRRQI-JKSUJKDBSA-N 2 1 341.459 2.672 10 30 EFEEMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001725183700 1425362854 /nfs/dbraw/zinc/36/28/54/1425362854.db2.gz NQZHGKPNJUMHQW-GOSISDBHSA-N 2 1 347.547 2.739 10 30 EFEEMP C=CC[NH2+][C@H](CCN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001725213036 1425382470 /nfs/dbraw/zinc/38/24/70/1425382470.db2.gz IHMBCNVHUQOWKF-VQIMIIECSA-N 2 1 341.515 2.848 10 30 EFEEMP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C[C@H]2C1 ZINC001725331580 1425473588 /nfs/dbraw/zinc/47/35/88/1425473588.db2.gz CCFDNQGEMCSYPG-GBESFXJTSA-N 2 1 333.520 2.655 10 30 EFEEMP C=C(C)C[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[C@H]2C1 ZINC001725337288 1425481911 /nfs/dbraw/zinc/48/19/11/1425481911.db2.gz OWJZBTNKRBLEIB-OKZBNKHCSA-N 2 1 335.536 2.757 10 30 EFEEMP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@H]2C1 ZINC001725337288 1425481916 /nfs/dbraw/zinc/48/19/16/1425481916.db2.gz OWJZBTNKRBLEIB-OKZBNKHCSA-N 2 1 335.536 2.757 10 30 EFEEMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@H]2C1 ZINC001725337288 1425481920 /nfs/dbraw/zinc/48/19/20/1425481920.db2.gz OWJZBTNKRBLEIB-OKZBNKHCSA-N 2 1 335.536 2.757 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001725352153 1425500158 /nfs/dbraw/zinc/50/01/58/1425500158.db2.gz GDIZHWGLBXHHQN-KZNAEPCWSA-N 2 1 333.520 2.702 10 30 EFEEMP C=C(C)CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001725424193 1425570202 /nfs/dbraw/zinc/57/02/02/1425570202.db2.gz IUKKKQYDTVJTFY-SFHVURJKSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001725424193 1425570207 /nfs/dbraw/zinc/57/02/07/1425570207.db2.gz IUKKKQYDTVJTFY-SFHVURJKSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001725424193 1425570210 /nfs/dbraw/zinc/57/02/10/1425570210.db2.gz IUKKKQYDTVJTFY-SFHVURJKSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)CCc2cncn2C)CC1 ZINC001725428240 1425575227 /nfs/dbraw/zinc/57/52/27/1425575227.db2.gz ZRVGXBBPKANURN-MRXNPFEDSA-N 2 1 332.492 2.630 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)CCc2cncn2C)CC1 ZINC001725428239 1425575346 /nfs/dbraw/zinc/57/53/46/1425575346.db2.gz ZRVGXBBPKANURN-INIZCTEOSA-N 2 1 332.492 2.630 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001725582819 1425666883 /nfs/dbraw/zinc/66/68/83/1425666883.db2.gz DNFIVTPQXRFLLO-HKUYNNGSSA-N 2 1 329.488 2.664 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001725582819 1425666888 /nfs/dbraw/zinc/66/68/88/1425666888.db2.gz DNFIVTPQXRFLLO-HKUYNNGSSA-N 2 1 329.488 2.664 10 30 EFEEMP C=C(C)CC[N@@H+](C)CCN(C(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001725730453 1425801511 /nfs/dbraw/zinc/80/15/11/1425801511.db2.gz GEPOGDBISYTLPF-SFHVURJKSA-N 2 1 346.519 2.889 10 30 EFEEMP C=C(C)CC[N@H+](C)CCN(C(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001725730453 1425801519 /nfs/dbraw/zinc/80/15/19/1425801519.db2.gz GEPOGDBISYTLPF-SFHVURJKSA-N 2 1 346.519 2.889 10 30 EFEEMP C=C(C)C[NH2+]C[C@H](NC(=O)C[N@@H+](C)Cc1ccccc1)C(C)(C)C ZINC001725755169 1425821140 /nfs/dbraw/zinc/82/11/40/1425821140.db2.gz FOUDWGRQQCWKJL-SFHVURJKSA-N 2 1 331.504 2.815 10 30 EFEEMP C=C(C)C[NH2+]C[C@H](NC(=O)C[N@H+](C)Cc1ccccc1)C(C)(C)C ZINC001725755169 1425821146 /nfs/dbraw/zinc/82/11/46/1425821146.db2.gz FOUDWGRQQCWKJL-SFHVURJKSA-N 2 1 331.504 2.815 10 30 EFEEMP C=CC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]1C(F)(F)F ZINC001725779821 1425845352 /nfs/dbraw/zinc/84/53/52/1425845352.db2.gz GNIITXREFNZRCK-KGLIPLIRSA-N 2 1 349.441 2.519 10 30 EFEEMP C=CCC[N@H+]1CC=C(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001725816379 1425875319 /nfs/dbraw/zinc/87/53/19/1425875319.db2.gz BTLZJQGYVPBFKK-INIZCTEOSA-N 2 1 330.476 2.721 10 30 EFEEMP C=CCC[N@@H+]1CC=C(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001725816379 1425875329 /nfs/dbraw/zinc/87/53/29/1425875329.db2.gz BTLZJQGYVPBFKK-INIZCTEOSA-N 2 1 330.476 2.721 10 30 EFEEMP C=CCC[C@@H](C)[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C)c(F)c1 ZINC001725831925 1425899201 /nfs/dbraw/zinc/89/92/01/1425899201.db2.gz VYNMMUPJZUNVDX-BEFAXECRSA-N 2 1 347.478 2.980 10 30 EFEEMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C)C(C)C ZINC000891940476 715166199 /nfs/dbraw/zinc/16/61/99/715166199.db2.gz PLLDBUUAYWZBNG-CEXWTWQISA-N 2 1 348.535 2.563 10 30 EFEEMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000066243169 718160459 /nfs/dbraw/zinc/16/04/59/718160459.db2.gz GVUOSSMEEBLEMJ-LPHOPBHVSA-N 2 1 344.503 2.502 10 30 EFEEMP C[NH+]=C(NCC[N@@H+](C)C1CCCC1)N[C@@H]1CCOc2ccccc21 ZINC000085789179 725443777 /nfs/dbraw/zinc/44/37/77/725443777.db2.gz QRDZKDJRCAFVEX-QGZVFWFLSA-N 2 1 330.476 2.550 10 30 EFEEMP C[NH+]=C(NCC[N@@H+](C)C1CCCC1)N[C@H]1CCOc2ccccc21 ZINC000085789182 725443827 /nfs/dbraw/zinc/44/38/27/725443827.db2.gz QRDZKDJRCAFVEX-KRWDZBQOSA-N 2 1 330.476 2.550 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000908300688 727158161 /nfs/dbraw/zinc/15/81/61/727158161.db2.gz NZBKCQMOCOUXJM-HXUWFJFHSA-N 2 1 343.515 2.913 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940757131 728238854 /nfs/dbraw/zinc/23/88/54/728238854.db2.gz SLKJUKQGKHRSOV-KSZLIROESA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940757131 728238856 /nfs/dbraw/zinc/23/88/56/728238856.db2.gz SLKJUKQGKHRSOV-KSZLIROESA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940757131 728238858 /nfs/dbraw/zinc/23/88/58/728238858.db2.gz SLKJUKQGKHRSOV-KSZLIROESA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000940788589 728242608 /nfs/dbraw/zinc/24/26/08/728242608.db2.gz BOIMMSUUYNVQHH-CVEARBPZSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000940788589 728242610 /nfs/dbraw/zinc/24/26/10/728242610.db2.gz BOIMMSUUYNVQHH-CVEARBPZSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000940788589 728242612 /nfs/dbraw/zinc/24/26/12/728242612.db2.gz BOIMMSUUYNVQHH-CVEARBPZSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000940788589 728242614 /nfs/dbraw/zinc/24/26/14/728242614.db2.gz BOIMMSUUYNVQHH-CVEARBPZSA-N 2 1 341.927 2.830 10 30 EFEEMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940801941 728252026 /nfs/dbraw/zinc/25/20/26/728252026.db2.gz ZZAAYLSMQOXKNY-QZTJIDSGSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000940801941 728252029 /nfs/dbraw/zinc/25/20/29/728252029.db2.gz ZZAAYLSMQOXKNY-QZTJIDSGSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940801941 728252032 /nfs/dbraw/zinc/25/20/32/728252032.db2.gz ZZAAYLSMQOXKNY-QZTJIDSGSA-N 2 1 333.520 2.796 10 30 EFEEMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000940858353 728296914 /nfs/dbraw/zinc/29/69/14/728296914.db2.gz LZVUZKVAMUPESH-ROUUACIJSA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940858353 728296916 /nfs/dbraw/zinc/29/69/16/728296916.db2.gz LZVUZKVAMUPESH-ROUUACIJSA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940858353 728296917 /nfs/dbraw/zinc/29/69/17/728296917.db2.gz LZVUZKVAMUPESH-ROUUACIJSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000941067574 728389558 /nfs/dbraw/zinc/38/95/58/728389558.db2.gz FCNZSTQZGVYDKL-INIZCTEOSA-N 2 1 332.492 2.799 10 30 EFEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000941067574 728389560 /nfs/dbraw/zinc/38/95/60/728389560.db2.gz FCNZSTQZGVYDKL-INIZCTEOSA-N 2 1 332.492 2.799 10 30 EFEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000941092262 728398958 /nfs/dbraw/zinc/39/89/58/728398958.db2.gz CKKWQXOREVIFSJ-LJQANCHMSA-N 2 1 341.499 2.602 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001569434161 1085203334 /nfs/dbraw/zinc/20/33/34/1085203334.db2.gz HJQYVROYQVCDCE-LJQANCHMSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001569522560 1085334544 /nfs/dbraw/zinc/33/45/44/1085334544.db2.gz NFSGEPIZZAQMQP-SJORKVTESA-N 2 1 332.492 2.942 10 30 EFEEMP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001569567595 1085384564 /nfs/dbraw/zinc/38/45/64/1085384564.db2.gz ZKMLJSDGGCTEPP-MOPGFXCFSA-N 2 1 329.488 2.836 10 30 EFEEMP C#CCN(C(=O)C[N@H+](C)CCC)C1CC[NH+](CCC2CCCC2)CC1 ZINC001569595229 1085418611 /nfs/dbraw/zinc/41/86/11/1085418611.db2.gz IBOBMXANZLCSIS-UHFFFAOYSA-N 2 1 347.547 2.835 10 30 EFEEMP C#CCN(C(=O)CC[N@H+](C)CC)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001569595749 1085419990 /nfs/dbraw/zinc/41/99/90/1085419990.db2.gz ZNJFDJNTVFMSAF-UHFFFAOYSA-N 2 1 347.547 2.691 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@@]12CC[N@@H+](C1)CCC2)C1CCCC1 ZINC001569614604 1085440256 /nfs/dbraw/zinc/44/02/56/1085440256.db2.gz YCVNJKFTEAGUSA-ICSRJNTNSA-N 2 1 333.520 2.703 10 30 EFEEMP C=CCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001569625433 1085453380 /nfs/dbraw/zinc/45/33/80/1085453380.db2.gz WOAAJESYBBUVED-QUCCMNQESA-N 2 1 333.520 2.609 10 30 EFEEMP C=CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001569625433 1085453384 /nfs/dbraw/zinc/45/33/84/1085453384.db2.gz WOAAJESYBBUVED-QUCCMNQESA-N 2 1 333.520 2.609 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001569625433 1085453389 /nfs/dbraw/zinc/45/33/89/1085453389.db2.gz WOAAJESYBBUVED-QUCCMNQESA-N 2 1 333.520 2.609 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@@H+](CC/C=C/CC)C1 ZINC001569715484 1085548747 /nfs/dbraw/zinc/54/87/47/1085548747.db2.gz NQDKWIVVGNCHOO-GXGIYUIGSA-N 2 1 345.531 2.659 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@H+](CC/C=C/CC)C1 ZINC001569715484 1085548751 /nfs/dbraw/zinc/54/87/51/1085548751.db2.gz NQDKWIVVGNCHOO-GXGIYUIGSA-N 2 1 345.531 2.659 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](CC/C=C/CC)C1 ZINC001569715484 1085548755 /nfs/dbraw/zinc/54/87/55/1085548755.db2.gz NQDKWIVVGNCHOO-GXGIYUIGSA-N 2 1 345.531 2.659 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](CC/C=C/CC)C1 ZINC001569715484 1085548760 /nfs/dbraw/zinc/54/87/60/1085548760.db2.gz NQDKWIVVGNCHOO-GXGIYUIGSA-N 2 1 345.531 2.659 10 30 EFEEMP C#CCC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001569716416 1085551713 /nfs/dbraw/zinc/55/17/13/1085551713.db2.gz XDVVWEGRPNEXKR-TZIWHRDSSA-N 2 1 345.531 2.635 10 30 EFEEMP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001569716416 1085551720 /nfs/dbraw/zinc/55/17/20/1085551720.db2.gz XDVVWEGRPNEXKR-TZIWHRDSSA-N 2 1 345.531 2.635 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001569716416 1085551723 /nfs/dbraw/zinc/55/17/23/1085551723.db2.gz XDVVWEGRPNEXKR-TZIWHRDSSA-N 2 1 345.531 2.635 10 30 EFEEMP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1CC ZINC001569801865 1085617397 /nfs/dbraw/zinc/61/73/97/1085617397.db2.gz JNZPTZKUVNZJNK-PMACEKPBSA-N 2 1 341.499 2.504 10 30 EFEEMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1CC ZINC001569801138 1085617642 /nfs/dbraw/zinc/61/76/42/1085617642.db2.gz YYDOISBRRVOVBL-POAQFYNOSA-N 2 1 343.515 2.912 10 30 EFEEMP C=C(C)C[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)c1ccccc1CC ZINC001569802440 1085619214 /nfs/dbraw/zinc/61/92/14/1085619214.db2.gz VHFLTHFDHZMMIW-PXNSSMCTSA-N 2 1 343.515 2.914 10 30 EFEEMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001569858866 1085683282 /nfs/dbraw/zinc/68/32/82/1085683282.db2.gz DIPRUYPUVGWIHF-AKHDSKFASA-N 2 1 333.520 2.796 10 30 EFEEMP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001569858866 1085683285 /nfs/dbraw/zinc/68/32/85/1085683285.db2.gz DIPRUYPUVGWIHF-AKHDSKFASA-N 2 1 333.520 2.796 10 30 EFEEMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001569858866 1085683287 /nfs/dbraw/zinc/68/32/87/1085683287.db2.gz DIPRUYPUVGWIHF-AKHDSKFASA-N 2 1 333.520 2.796 10 30 EFEEMP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001569869313 1085698321 /nfs/dbraw/zinc/69/83/21/1085698321.db2.gz RPBZVNZSJQKQQA-UXHICEINSA-N 2 1 341.499 2.808 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+]1CCCC1 ZINC001569915156 1085759637 /nfs/dbraw/zinc/75/96/37/1085759637.db2.gz OIXKDNJOASUIIV-OALUTQOASA-N 2 1 333.520 2.894 10 30 EFEEMP C=CCC[C@H](C)[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001569919030 1085767043 /nfs/dbraw/zinc/76/70/43/1085767043.db2.gz COPAGBUBECKQMH-JENIJYKNSA-N 2 1 333.520 2.748 10 30 EFEEMP C=CCC[C@H](C)[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001569919030 1085767047 /nfs/dbraw/zinc/76/70/47/1085767047.db2.gz COPAGBUBECKQMH-JENIJYKNSA-N 2 1 333.520 2.748 10 30 EFEEMP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001569998673 1085840396 /nfs/dbraw/zinc/84/03/96/1085840396.db2.gz RMJZEAGLWPDMRO-RTBURBONSA-N 2 1 335.536 2.903 10 30 EFEEMP C=CC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001570026836 1085876092 /nfs/dbraw/zinc/87/60/92/1085876092.db2.gz LLILUVJXFJLHCC-WOJBJXKFSA-N 2 1 341.499 2.938 10 30 EFEEMP C=CC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001570026836 1085876099 /nfs/dbraw/zinc/87/60/99/1085876099.db2.gz LLILUVJXFJLHCC-WOJBJXKFSA-N 2 1 341.499 2.938 10 30 EFEEMP C=CC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001570026836 1085876102 /nfs/dbraw/zinc/87/61/02/1085876102.db2.gz LLILUVJXFJLHCC-WOJBJXKFSA-N 2 1 341.499 2.938 10 30 EFEEMP C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)Cn1cc[nH+]c1C ZINC001570028069 1085878177 /nfs/dbraw/zinc/87/81/77/1085878177.db2.gz IFNQQWLSDUHWLJ-UHFFFAOYSA-N 2 1 326.444 2.516 10 30 EFEEMP C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)Cn1cc[nH+]c1C ZINC001570028069 1085878186 /nfs/dbraw/zinc/87/81/86/1085878186.db2.gz IFNQQWLSDUHWLJ-UHFFFAOYSA-N 2 1 326.444 2.516 10 30 EFEEMP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)cc1 ZINC001570031371 1085882356 /nfs/dbraw/zinc/88/23/56/1085882356.db2.gz NCPWOMQYQBDPTR-FFZOFVMBSA-N 2 1 341.499 2.707 10 30 EFEEMP CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001570031451 1085883844 /nfs/dbraw/zinc/88/38/44/1085883844.db2.gz PJEASIYADXZDLP-XLIONFOSSA-N 2 1 341.499 2.850 10 30 EFEEMP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001570083823 1085937824 /nfs/dbraw/zinc/93/78/24/1085937824.db2.gz QZHHFJYHHZVAPH-DLBZAZTESA-N 2 1 332.492 2.943 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[N@H+](C)CCC)C1 ZINC001570219635 1086060589 /nfs/dbraw/zinc/06/05/89/1086060589.db2.gz FEMFAQJFQOCLBH-RBUKOAKNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001570219635 1086060598 /nfs/dbraw/zinc/06/05/98/1086060598.db2.gz FEMFAQJFQOCLBH-RBUKOAKNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001570219635 1086060609 /nfs/dbraw/zinc/06/06/09/1086060609.db2.gz FEMFAQJFQOCLBH-RBUKOAKNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001570219808 1086060730 /nfs/dbraw/zinc/06/07/30/1086060730.db2.gz HNPHYHAUAOKDCU-RTBURBONSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001570220873 1086061263 /nfs/dbraw/zinc/06/12/63/1086061263.db2.gz XWCTWEDVFOOFKM-RBUKOAKNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001570220871 1086062839 /nfs/dbraw/zinc/06/28/39/1086062839.db2.gz XWCTWEDVFOOFKM-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001570269001 1086102189 /nfs/dbraw/zinc/10/21/89/1086102189.db2.gz MMTAXTVTKQBHOZ-VQTJNVASSA-N 2 1 341.499 2.590 10 30 EFEEMP C=CCCC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001570269001 1086102192 /nfs/dbraw/zinc/10/21/92/1086102192.db2.gz MMTAXTVTKQBHOZ-VQTJNVASSA-N 2 1 341.499 2.590 10 30 EFEEMP C=CCCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001570269001 1086102194 /nfs/dbraw/zinc/10/21/94/1086102194.db2.gz MMTAXTVTKQBHOZ-VQTJNVASSA-N 2 1 341.499 2.590 10 30 EFEEMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+](C)Cc1ccccc1)C2 ZINC001570277004 1086119152 /nfs/dbraw/zinc/11/91/52/1086119152.db2.gz SNMKTHGAIVPVGW-NRFANRHFSA-N 2 1 341.499 2.619 10 30 EFEEMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+](C)Cc1ccccc1)C2 ZINC001570277004 1086119156 /nfs/dbraw/zinc/11/91/56/1086119156.db2.gz SNMKTHGAIVPVGW-NRFANRHFSA-N 2 1 341.499 2.619 10 30 EFEEMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)Cc1ccccc1)C2 ZINC001570277004 1086119158 /nfs/dbraw/zinc/11/91/58/1086119158.db2.gz SNMKTHGAIVPVGW-NRFANRHFSA-N 2 1 341.499 2.619 10 30 EFEEMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)Cc1ccccc1)C2 ZINC001570277004 1086119160 /nfs/dbraw/zinc/11/91/60/1086119160.db2.gz SNMKTHGAIVPVGW-NRFANRHFSA-N 2 1 341.499 2.619 10 30 EFEEMP C=CCC[NH2+]C1(C)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001570373204 1086178239 /nfs/dbraw/zinc/17/82/39/1086178239.db2.gz NNAXDEHTBSVNLG-MRXNPFEDSA-N 2 1 332.492 2.943 10 30 EFEEMP C=CCC[NH2+]C1(C)CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001570380899 1086183780 /nfs/dbraw/zinc/18/37/80/1086183780.db2.gz OKEAYTQPRKMEPL-IBGZPJMESA-N 2 1 339.499 2.746 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C(C)(C)C1 ZINC001570393270 1086193923 /nfs/dbraw/zinc/19/39/23/1086193923.db2.gz FXQIXHWMXVDWNP-IRXDYDNUSA-N 2 1 341.515 2.849 10 30 EFEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001570400302 1086205688 /nfs/dbraw/zinc/20/56/88/1086205688.db2.gz WMMOXAGOAUTQNI-MSOLQXFVSA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(C)CC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001570501320 1086286917 /nfs/dbraw/zinc/28/69/17/1086286917.db2.gz JYCDRDPRYQLVBJ-LJQANCHMSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001570501320 1086286924 /nfs/dbraw/zinc/28/69/24/1086286924.db2.gz JYCDRDPRYQLVBJ-LJQANCHMSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001570501320 1086286930 /nfs/dbraw/zinc/28/69/30/1086286930.db2.gz JYCDRDPRYQLVBJ-LJQANCHMSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CC[N@H+](CC)CC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001570504871 1086292741 /nfs/dbraw/zinc/29/27/41/1086292741.db2.gz YARARNWQJHKVMK-SFHVURJKSA-N 2 1 335.536 2.997 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)CC/C=C\CC)CC1 ZINC001570549081 1086348570 /nfs/dbraw/zinc/34/85/70/1086348570.db2.gz UFMGAEQTQSIMCF-HCZHMGAMSA-N 2 1 345.531 2.611 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)CCCCCC)CC1 ZINC001570548962 1086348870 /nfs/dbraw/zinc/34/88/70/1086348870.db2.gz SQZGCSCHCJKOJC-FQEVSTJZSA-N 2 1 347.547 2.835 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@H+](C)CC/C=C/CC)CC1 ZINC001570549084 1086349870 /nfs/dbraw/zinc/34/98/70/1086349870.db2.gz UFMGAEQTQSIMCF-ROUKRRSUSA-N 2 1 345.531 2.611 10 30 EFEEMP C=C(C)C[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001570570533 1086373267 /nfs/dbraw/zinc/37/32/67/1086373267.db2.gz DLJBPMRAUPRDPI-TVPLGVNVSA-N 2 1 333.520 2.844 10 30 EFEEMP C=CCC[C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001570689432 1086463116 /nfs/dbraw/zinc/46/31/16/1086463116.db2.gz ZDYTWIPENGTOLI-PXNSSMCTSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCCC[N@H+]1CCCCC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001570823134 1086545711 /nfs/dbraw/zinc/54/57/11/1086545711.db2.gz RNSMVFPUSDFCEF-INIZCTEOSA-N 2 1 348.491 2.677 10 30 EFEEMP C=CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001570823134 1086545714 /nfs/dbraw/zinc/54/57/14/1086545714.db2.gz RNSMVFPUSDFCEF-INIZCTEOSA-N 2 1 348.491 2.677 10 30 EFEEMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCCn3cc[nH+]c3C)C[C@@H]2C1 ZINC001571022347 1086645106 /nfs/dbraw/zinc/64/51/06/1086645106.db2.gz LVEUDYMOHXMFNK-OTWHNJEPSA-N 2 1 344.503 2.765 10 30 EFEEMP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCCn3cc[nH+]c3C)C[C@@H]2C1 ZINC001571022347 1086645110 /nfs/dbraw/zinc/64/51/10/1086645110.db2.gz LVEUDYMOHXMFNK-OTWHNJEPSA-N 2 1 344.503 2.765 10 30 EFEEMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCn3cc[nH+]c3C)C[C@H]2C1 ZINC001571022342 1086645442 /nfs/dbraw/zinc/64/54/42/1086645442.db2.gz LVEUDYMOHXMFNK-GBESFXJTSA-N 2 1 344.503 2.765 10 30 EFEEMP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCn3cc[nH+]c3C)C[C@H]2C1 ZINC001571022342 1086645447 /nfs/dbraw/zinc/64/54/47/1086645447.db2.gz LVEUDYMOHXMFNK-GBESFXJTSA-N 2 1 344.503 2.765 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)C3CCC3)C[C@@]2(C)C1 ZINC001571059530 1086657774 /nfs/dbraw/zinc/65/77/74/1086657774.db2.gz MMXYOPNCKRRQLA-UIFIKXQLSA-N 2 1 347.547 2.996 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+](C)C3CCC3)C[C@@]2(C)C1 ZINC001571059530 1086657779 /nfs/dbraw/zinc/65/77/79/1086657779.db2.gz MMXYOPNCKRRQLA-UIFIKXQLSA-N 2 1 347.547 2.996 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@]2(C)C1 ZINC001571059530 1086657786 /nfs/dbraw/zinc/65/77/86/1086657786.db2.gz MMXYOPNCKRRQLA-UIFIKXQLSA-N 2 1 347.547 2.996 10 30 EFEEMP C=CCC[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)Cc3ccccc3)CCC[C@@H]12 ZINC001571506144 1086911368 /nfs/dbraw/zinc/91/13/68/1086911368.db2.gz AOCFOMWDIGGPLR-CTNGQTDRSA-N 2 1 341.499 2.808 10 30 EFEEMP C=CCC[NH+]1CC[C@@]2(NC(=O)C[N@H+](C)Cc3ccccc3)CCC[C@@H]12 ZINC001571506144 1086911373 /nfs/dbraw/zinc/91/13/73/1086911373.db2.gz AOCFOMWDIGGPLR-CTNGQTDRSA-N 2 1 341.499 2.808 10 30 EFEEMP C=CCC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)Cc3ccccc3)CCC[C@@H]12 ZINC001571506144 1086911374 /nfs/dbraw/zinc/91/13/74/1086911374.db2.gz AOCFOMWDIGGPLR-CTNGQTDRSA-N 2 1 341.499 2.808 10 30 EFEEMP C=CCC[N@H+]1CC[C@@]2(NC(=O)C[NH+](C)Cc3ccccc3)CCC[C@@H]12 ZINC001571506144 1086911380 /nfs/dbraw/zinc/91/13/80/1086911380.db2.gz AOCFOMWDIGGPLR-CTNGQTDRSA-N 2 1 341.499 2.808 10 30 EFEEMP C=CCC[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)Cc3ccccc3)CCC[C@@H]12 ZINC001571506147 1086911489 /nfs/dbraw/zinc/91/14/89/1086911489.db2.gz AOCFOMWDIGGPLR-TZIWHRDSSA-N 2 1 341.499 2.808 10 30 EFEEMP C=CCC[NH+]1CC[C@]2(NC(=O)C[N@H+](C)Cc3ccccc3)CCC[C@@H]12 ZINC001571506147 1086911493 /nfs/dbraw/zinc/91/14/93/1086911493.db2.gz AOCFOMWDIGGPLR-TZIWHRDSSA-N 2 1 341.499 2.808 10 30 EFEEMP C=CCC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)Cc3ccccc3)CCC[C@@H]12 ZINC001571506147 1086911495 /nfs/dbraw/zinc/91/14/95/1086911495.db2.gz AOCFOMWDIGGPLR-TZIWHRDSSA-N 2 1 341.499 2.808 10 30 EFEEMP C=CCC[N@H+]1CC[C@]2(NC(=O)C[NH+](C)Cc3ccccc3)CCC[C@@H]12 ZINC001571506147 1086911499 /nfs/dbraw/zinc/91/14/99/1086911499.db2.gz AOCFOMWDIGGPLR-TZIWHRDSSA-N 2 1 341.499 2.808 10 30 EFEEMP C=CCC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H]1C ZINC001571526892 1086937738 /nfs/dbraw/zinc/93/77/38/1086937738.db2.gz OCYYKLNQDFDIPF-MJGOQNOKSA-N 2 1 329.488 2.664 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H]1C ZINC001571526892 1086937740 /nfs/dbraw/zinc/93/77/40/1086937740.db2.gz OCYYKLNQDFDIPF-MJGOQNOKSA-N 2 1 329.488 2.664 10 30 EFEEMP C=CCC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC001571526892 1086937743 /nfs/dbraw/zinc/93/77/43/1086937743.db2.gz OCYYKLNQDFDIPF-MJGOQNOKSA-N 2 1 329.488 2.664 10 30 EFEEMP C=CCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC001571526892 1086937745 /nfs/dbraw/zinc/93/77/45/1086937745.db2.gz OCYYKLNQDFDIPF-MJGOQNOKSA-N 2 1 329.488 2.664 10 30 EFEEMP C#CCC[N@H+](C)CCN(C(=O)[C@H]1CC[NH+](C2CCCCC2)C1)C(C)C ZINC001571611541 1086987212 /nfs/dbraw/zinc/98/72/12/1086987212.db2.gz CWIANRJWWVGCMF-IBGZPJMESA-N 2 1 347.547 2.833 10 30 EFEEMP C#CCC[NH+](C)CCN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001571611541 1086987214 /nfs/dbraw/zinc/98/72/14/1086987214.db2.gz 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IEKOCNIGOTZTNP-KRWDZBQOSA-N 2 1 341.927 2.641 10 30 EFEEMP C=C(Cl)C[NH+](C)CCC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001482507857 1102447611 /nfs/dbraw/zinc/44/76/11/1102447611.db2.gz IEKOCNIGOTZTNP-KRWDZBQOSA-N 2 1 341.927 2.641 10 30 EFEEMP C=C(Cl)C[NH+](C)CCC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001482507857 1102447617 /nfs/dbraw/zinc/44/76/17/1102447617.db2.gz IEKOCNIGOTZTNP-KRWDZBQOSA-N 2 1 341.927 2.641 10 30 EFEEMP C=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001271737517 1102545728 /nfs/dbraw/zinc/54/57/28/1102545728.db2.gz AUDYVKWTRSADTH-QUCCMNQESA-N 2 1 343.515 2.564 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001266877480 1102569012 /nfs/dbraw/zinc/56/90/12/1102569012.db2.gz FBFBRFATKRGISW-HXUWFJFHSA-N 2 1 343.515 2.708 10 30 EFEEMP CC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001266890183 1102603453 /nfs/dbraw/zinc/60/34/53/1102603453.db2.gz JBIJMNAJZQANLM-RTBURBONSA-N 2 1 347.547 2.881 10 30 EFEEMP 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C=CCC[N@H+]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001266545261 1102657611 /nfs/dbraw/zinc/65/76/11/1102657611.db2.gz OJXXPHIKUYYCBS-MJGOQNOKSA-N 2 1 329.488 2.694 10 30 EFEEMP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001266545261 1102657618 /nfs/dbraw/zinc/65/76/18/1102657618.db2.gz OJXXPHIKUYYCBS-MJGOQNOKSA-N 2 1 329.488 2.694 10 30 EFEEMP CC#CC[N@@H+](C)CCC1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001271785968 1102674954 /nfs/dbraw/zinc/67/49/54/1102674954.db2.gz ZAJYQYBQJUXBHS-UHFFFAOYSA-N 2 1 335.536 2.548 10 30 EFEEMP CC#CC[NH+](C)CCC1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001271785968 1102674958 /nfs/dbraw/zinc/67/49/58/1102674958.db2.gz ZAJYQYBQJUXBHS-UHFFFAOYSA-N 2 1 335.536 2.548 10 30 EFEEMP CC#CC[NH+](C)CCC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001271785968 1102674963 /nfs/dbraw/zinc/67/49/63/1102674963.db2.gz ZAJYQYBQJUXBHS-UHFFFAOYSA-N 2 1 335.536 2.548 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001670479628 1102706422 /nfs/dbraw/zinc/70/64/22/1102706422.db2.gz JRTSPWSYCMWBCA-RBUKOAKNSA-N 2 1 333.520 2.844 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001660847550 1102998480 /nfs/dbraw/zinc/99/84/80/1102998480.db2.gz KERGPPXEVBMQDF-LJQANCHMSA-N 2 1 329.488 2.909 10 30 EFEEMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001271900773 1103006932 /nfs/dbraw/zinc/00/69/32/1103006932.db2.gz KJWOGXLKKLEQLC-VQIMIIECSA-N 2 1 341.515 2.896 10 30 EFEEMP C=CCCC[NH+]1CCC(N(CCC)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001661094996 1103127477 /nfs/dbraw/zinc/12/74/77/1103127477.db2.gz UZDYKIBXJHXFEM-SFHVURJKSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001661554775 1103313705 /nfs/dbraw/zinc/31/37/05/1103313705.db2.gz FOOWGHUUFFJOHH-SJORKVTESA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001661554775 1103313720 /nfs/dbraw/zinc/31/37/20/1103313720.db2.gz 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C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001661890788 1103491139 /nfs/dbraw/zinc/49/11/39/1103491139.db2.gz LQBBJMYEVCLJEB-RBUKOAKNSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001661890788 1103491142 /nfs/dbraw/zinc/49/11/42/1103491142.db2.gz LQBBJMYEVCLJEB-RBUKOAKNSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001661890788 1103491146 /nfs/dbraw/zinc/49/11/46/1103491146.db2.gz LQBBJMYEVCLJEB-RBUKOAKNSA-N 2 1 329.488 2.836 10 30 EFEEMP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001661943733 1103514611 /nfs/dbraw/zinc/51/46/11/1103514611.db2.gz SARUWSBXPVXWEK-PMACEKPBSA-N 2 1 345.531 2.778 10 30 EFEEMP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001661943736 1103515468 /nfs/dbraw/zinc/51/54/68/1103515468.db2.gz SARUWSBXPVXWEK-WOJBJXKFSA-N 2 1 345.531 2.778 10 30 EFEEMP C=C(Cl)C[NH2+]CCCN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001483474491 1103781308 /nfs/dbraw/zinc/78/13/08/1103781308.db2.gz JIPMSADWKUYOSD-UHFFFAOYSA-N 2 1 329.916 2.830 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CCCCCC1)C1CC1 ZINC001483566664 1103964072 /nfs/dbraw/zinc/96/40/72/1103964072.db2.gz CFOXFIZLTHBDID-UXHICEINSA-N 2 1 345.531 2.539 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CCCCCC1)C1CC1 ZINC001483566664 1103964077 /nfs/dbraw/zinc/96/40/77/1103964077.db2.gz CFOXFIZLTHBDID-UXHICEINSA-N 2 1 345.531 2.539 10 30 EFEEMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001272034315 1104080737 /nfs/dbraw/zinc/08/07/37/1104080737.db2.gz NTBWPMDXGGLDHL-RTBURBONSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001272034315 1104080750 /nfs/dbraw/zinc/08/07/50/1104080750.db2.gz NTBWPMDXGGLDHL-RTBURBONSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001272034315 1104080763 /nfs/dbraw/zinc/08/07/63/1104080763.db2.gz 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ZINC001664830568 1104569578 /nfs/dbraw/zinc/56/95/78/1104569578.db2.gz VWWNMKHSNKYLCQ-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCCCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001664830568 1104569587 /nfs/dbraw/zinc/56/95/87/1104569587.db2.gz VWWNMKHSNKYLCQ-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCCCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001664830568 1104569595 /nfs/dbraw/zinc/56/95/95/1104569595.db2.gz VWWNMKHSNKYLCQ-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@H+](C)CC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001664884131 1104591799 /nfs/dbraw/zinc/59/17/99/1104591799.db2.gz ARBBVNBEFCKTRG-UHFFFAOYSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001665320790 1104668597 /nfs/dbraw/zinc/66/85/97/1104668597.db2.gz UZNRZOZUOXYCIR-IBGZPJMESA-N 2 1 333.520 2.798 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)N(C)CC)C1 ZINC001665588426 1104718951 /nfs/dbraw/zinc/71/89/51/1104718951.db2.gz KCMKSAIPTXJOMM-RTBURBONSA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001665588426 1104718956 /nfs/dbraw/zinc/71/89/56/1104718956.db2.gz KCMKSAIPTXJOMM-RTBURBONSA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001665588426 1104718964 /nfs/dbraw/zinc/71/89/64/1104718964.db2.gz KCMKSAIPTXJOMM-RTBURBONSA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001665588426 1104718966 /nfs/dbraw/zinc/71/89/66/1104718966.db2.gz KCMKSAIPTXJOMM-RTBURBONSA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001665588426 1104718974 /nfs/dbraw/zinc/71/89/74/1104718974.db2.gz KCMKSAIPTXJOMM-RTBURBONSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001665647789 1104738722 /nfs/dbraw/zinc/73/87/22/1104738722.db2.gz WTJRMEFHWWHRSL-SFHVURJKSA-N 2 1 333.520 2.894 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)CC[C@H]21 ZINC001482657613 1104748423 /nfs/dbraw/zinc/74/84/23/1104748423.db2.gz AMNBPEYQPFVWRZ-RTBURBONSA-N 2 1 347.547 2.997 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)CC[C@@H]21 ZINC001482657611 1104748842 /nfs/dbraw/zinc/74/88/42/1104748842.db2.gz AMNBPEYQPFVWRZ-OALUTQOASA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001665726347 1104766736 /nfs/dbraw/zinc/76/67/36/1104766736.db2.gz OGNZRGYAAXXMNN-GOSISDBHSA-N 2 1 335.536 2.997 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CCC1CCCCC1 ZINC001665805186 1104786742 /nfs/dbraw/zinc/78/67/42/1104786742.db2.gz RMLJFVWRDKDXGF-OALUTQOASA-N 2 1 333.520 2.539 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CCC1CCCCC1 ZINC001665805186 1104786748 /nfs/dbraw/zinc/78/67/48/1104786748.db2.gz RMLJFVWRDKDXGF-OALUTQOASA-N 2 1 333.520 2.539 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001666620226 1104970580 /nfs/dbraw/zinc/97/05/80/1104970580.db2.gz NQWXWSFASUQRPR-SXLOBPIMSA-N 2 1 343.515 2.640 10 30 EFEEMP C#CCC[NH2+]C1(CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CCCC1 ZINC001666800027 1104998746 /nfs/dbraw/zinc/99/87/46/1104998746.db2.gz CCVYPGVVOUCSGU-LJQANCHMSA-N 2 1 341.499 2.721 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC(C)C)C1CCCCC1 ZINC001667134148 1105058348 /nfs/dbraw/zinc/05/83/48/1105058348.db2.gz FCZAQKXAQIDJGC-UXHICEINSA-N 2 1 347.547 2.785 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC(C)C)C1CCCCC1 ZINC001667134148 1105058354 /nfs/dbraw/zinc/05/83/54/1105058354.db2.gz FCZAQKXAQIDJGC-UXHICEINSA-N 2 1 347.547 2.785 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001667203454 1105078677 /nfs/dbraw/zinc/07/86/77/1105078677.db2.gz JNXPLGSHTCUDSA-WMZOPIPTSA-N 2 1 332.492 2.765 10 30 EFEEMP C=C(Cl)C[NH2+]CC[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001667262383 1105101827 /nfs/dbraw/zinc/10/18/27/1105101827.db2.gz JHJHEADZJWGQMR-MRXNPFEDSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(C)CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001667332936 1105121102 /nfs/dbraw/zinc/12/11/02/1105121102.db2.gz RZGDSTMOFZSPBK-CVEARBPZSA-N 2 1 348.491 2.533 10 30 EFEEMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CC[NH2+]CC#Cc1ccccc1Cl ZINC001482885709 1105134885 /nfs/dbraw/zinc/13/48/85/1105134885.db2.gz KDPJLSXVJQSZMQ-INIZCTEOSA-N 2 1 349.906 2.518 10 30 EFEEMP C#CCC[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001667414154 1105144544 /nfs/dbraw/zinc/14/45/44/1105144544.db2.gz YYPUOVHRDRNPOD-HXUWFJFHSA-N 2 1 347.547 2.691 10 30 EFEEMP C#CCC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001667414154 1105144545 /nfs/dbraw/zinc/14/45/45/1105144545.db2.gz YYPUOVHRDRNPOD-HXUWFJFHSA-N 2 1 347.547 2.691 10 30 EFEEMP C#CCC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001667414154 1105144546 /nfs/dbraw/zinc/14/45/46/1105144546.db2.gz YYPUOVHRDRNPOD-HXUWFJFHSA-N 2 1 347.547 2.691 10 30 EFEEMP C=CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)CC[C@@H]21 ZINC001667688943 1105179410 /nfs/dbraw/zinc/17/94/10/1105179410.db2.gz YSHQMJSMYGJRRZ-MJGOQNOKSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)CC[C@@H]21 ZINC001667688943 1105179413 /nfs/dbraw/zinc/17/94/13/1105179413.db2.gz YSHQMJSMYGJRRZ-MJGOQNOKSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)CC[C@@H]21 ZINC001667688943 1105179416 /nfs/dbraw/zinc/17/94/16/1105179416.db2.gz YSHQMJSMYGJRRZ-MJGOQNOKSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCC[NH+]1CCC(C)(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001671429052 1105636270 /nfs/dbraw/zinc/63/62/70/1105636270.db2.gz VQUPNOQJTCIBTJ-IBGZPJMESA-N 2 1 339.499 2.746 10 30 EFEEMP C#CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC[NH+](CCCC)CC1 ZINC001671476960 1105642559 /nfs/dbraw/zinc/64/25/59/1105642559.db2.gz CAYKQEBOBUQEDQ-IBGZPJMESA-N 2 1 333.520 2.586 10 30 EFEEMP C#CCN(C(=O)C[N@@H+](C)C(C)C)C1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001671508032 1105647721 /nfs/dbraw/zinc/64/77/21/1105647721.db2.gz MOSYPEDDHMTIQX-IBGZPJMESA-N 2 1 349.563 2.935 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CC/C=C\CC)CC1 ZINC001671842217 1105712432 /nfs/dbraw/zinc/71/24/32/1105712432.db2.gz GYDFOYGTFZTZEI-RURPWVQCSA-N 2 1 345.531 2.659 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CC/C=C\CC)CC1 ZINC001671842217 1105712434 /nfs/dbraw/zinc/71/24/34/1105712434.db2.gz GYDFOYGTFZTZEI-RURPWVQCSA-N 2 1 345.531 2.659 10 30 EFEEMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001671886932 1105720523 /nfs/dbraw/zinc/72/05/23/1105720523.db2.gz DTBSGJJTQSETDQ-SFHVURJKSA-N 2 1 335.517 2.828 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@](C)(CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001671916759 1105731484 /nfs/dbraw/zinc/73/14/84/1105731484.db2.gz QMEZKFJMOUKMRX-OAQYLSRUSA-N 2 1 343.515 2.913 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@](C)(CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001671916759 1105731488 /nfs/dbraw/zinc/73/14/88/1105731488.db2.gz QMEZKFJMOUKMRX-OAQYLSRUSA-N 2 1 343.515 2.913 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001671916759 1105731494 /nfs/dbraw/zinc/73/14/94/1105731494.db2.gz QMEZKFJMOUKMRX-OAQYLSRUSA-N 2 1 343.515 2.913 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001671916759 1105731499 /nfs/dbraw/zinc/73/14/99/1105731499.db2.gz QMEZKFJMOUKMRX-OAQYLSRUSA-N 2 1 343.515 2.913 10 30 EFEEMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1CC ZINC001672183799 1105768248 /nfs/dbraw/zinc/76/82/48/1105768248.db2.gz QYZXBMCOTGKFBJ-QUCCMNQESA-N 2 1 343.515 2.914 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCC[NH+]1CCCC1 ZINC001672543787 1105868426 /nfs/dbraw/zinc/86/84/26/1105868426.db2.gz QJGPDSRTKCESMT-RTBURBONSA-N 2 1 333.520 2.894 10 30 EFEEMP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)cc1 ZINC001672938007 1105944351 /nfs/dbraw/zinc/94/43/51/1105944351.db2.gz OUYQNRYCCHDDCP-PXNSSMCTSA-N 2 1 341.499 2.851 10 30 EFEEMP C=CCC[NH2+][C@@H](C)c1ccc(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001672943464 1105945161 /nfs/dbraw/zinc/94/51/61/1105945161.db2.gz MOTWCMSRUSKBSJ-WMZOPIPTSA-N 2 1 329.488 2.871 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCC(C)(C)C)CC1 ZINC001672965874 1105950185 /nfs/dbraw/zinc/95/01/85/1105950185.db2.gz QPZZJUMQHZRQCW-FHWLQOOXSA-N 2 1 347.547 2.785 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCC(C)(C)C)CC1 ZINC001672965874 1105950190 /nfs/dbraw/zinc/95/01/90/1105950190.db2.gz QPZZJUMQHZRQCW-FHWLQOOXSA-N 2 1 347.547 2.785 10 30 EFEEMP C=CCC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001673496497 1106034907 /nfs/dbraw/zinc/03/49/07/1106034907.db2.gz NDPORCJSDXAAKL-RTBURBONSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001673496497 1106034912 /nfs/dbraw/zinc/03/49/12/1106034912.db2.gz NDPORCJSDXAAKL-RTBURBONSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001673496497 1106034917 /nfs/dbraw/zinc/03/49/17/1106034917.db2.gz NDPORCJSDXAAKL-RTBURBONSA-N 2 1 335.536 2.853 10 30 EFEEMP C#CC[NH2+]C1(CC)CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001673601438 1106053809 /nfs/dbraw/zinc/05/38/09/1106053809.db2.gz LZNHGOXXQFMMEY-UHFFFAOYSA-N 2 1 333.520 2.633 10 30 EFEEMP C=CC[NH2+]C1(CC)CCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001673613967 1106055333 /nfs/dbraw/zinc/05/53/33/1106055333.db2.gz GVVDQVAOUWQYIL-UHFFFAOYSA-N 2 1 343.515 2.708 10 30 EFEEMP C=CC[NH2+]C1(CC)CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001673625750 1106057113 /nfs/dbraw/zinc/05/71/13/1106057113.db2.gz UQBOBKLRKCCSEJ-SFHVURJKSA-N 2 1 329.488 2.836 10 30 EFEEMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+](CCC)CCC)C2 ZINC001673650542 1106067507 /nfs/dbraw/zinc/06/75/07/1106067507.db2.gz KIEWQLPERLZAEV-NRFANRHFSA-N 2 1 347.547 2.836 10 30 EFEEMP C=C(C)CC[NH+]1Cc2ccc(CNC(=O)C[N@H+](C)C(C)C)cc2C1 ZINC001673769631 1106084936 /nfs/dbraw/zinc/08/49/36/1106084936.db2.gz PFPBDLBNMIKPGI-UHFFFAOYSA-N 2 1 329.488 2.925 10 30 EFEEMP C=C(C)CC[N@H+]1Cc2ccc(CNC(=O)C[NH+](C)C(C)C)cc2C1 ZINC001673769631 1106084941 /nfs/dbraw/zinc/08/49/41/1106084941.db2.gz PFPBDLBNMIKPGI-UHFFFAOYSA-N 2 1 329.488 2.925 10 30 EFEEMP C=C(C)CC[N@@H+]1Cc2ccc(CNC(=O)C[NH+](C)C(C)C)cc2C1 ZINC001673769631 1106084946 /nfs/dbraw/zinc/08/49/46/1106084946.db2.gz PFPBDLBNMIKPGI-UHFFFAOYSA-N 2 1 329.488 2.925 10 30 EFEEMP C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)C3(C[NH+](C)C)CC3)cc2C1 ZINC001673765610 1106085784 /nfs/dbraw/zinc/08/57/84/1106085784.db2.gz UELQXATYPYNAOU-UHFFFAOYSA-N 2 1 327.472 2.536 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC001674022439 1106123267 /nfs/dbraw/zinc/12/32/67/1106123267.db2.gz COGQBVFQIQRUIQ-KRWDZBQOSA-N 2 1 348.491 2.533 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC001674022439 1106123268 /nfs/dbraw/zinc/12/32/68/1106123268.db2.gz COGQBVFQIQRUIQ-KRWDZBQOSA-N 2 1 348.491 2.533 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC001674029083 1106126547 /nfs/dbraw/zinc/12/65/47/1106126547.db2.gz PFWUMHPOJYUAAY-FUHWJXTLSA-N 2 1 335.536 2.900 10 30 EFEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[C@@H]1C ZINC001674132875 1106143081 /nfs/dbraw/zinc/14/30/81/1106143081.db2.gz BSEFRBYAUORORD-DLBZAZTESA-N 2 1 333.520 2.632 10 30 EFEEMP C#CCC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001674132875 1106143082 /nfs/dbraw/zinc/14/30/82/1106143082.db2.gz BSEFRBYAUORORD-DLBZAZTESA-N 2 1 333.520 2.632 10 30 EFEEMP C#CCC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001674132875 1106143083 /nfs/dbraw/zinc/14/30/83/1106143083.db2.gz BSEFRBYAUORORD-DLBZAZTESA-N 2 1 333.520 2.632 10 30 EFEEMP C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)CCCn1ccnc1 ZINC001674271376 1106163261 /nfs/dbraw/zinc/16/32/61/1106163261.db2.gz HANPVZFKFIQHKP-IBGZPJMESA-N 2 1 338.455 2.565 10 30 EFEEMP C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)CCCn1ccnc1 ZINC001674271376 1106163263 /nfs/dbraw/zinc/16/32/63/1106163263.db2.gz HANPVZFKFIQHKP-IBGZPJMESA-N 2 1 338.455 2.565 10 30 EFEEMP CC#CC[N@H+](CC)CC1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001674352500 1106176229 /nfs/dbraw/zinc/17/62/29/1106176229.db2.gz CZNKQTRSJKYBBY-UHFFFAOYSA-N 2 1 347.547 2.836 10 30 EFEEMP C#CCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001674354242 1106177107 /nfs/dbraw/zinc/17/71/07/1106177107.db2.gz ZICUUPNFQJIQDX-WOJBJXKFSA-N 2 1 347.547 2.691 10 30 EFEEMP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001674480696 1106200270 /nfs/dbraw/zinc/20/02/70/1106200270.db2.gz KFKYXNVAJWXFBD-HKUYNNGSSA-N 2 1 344.503 2.643 10 30 EFEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001674480696 1106200274 /nfs/dbraw/zinc/20/02/74/1106200274.db2.gz KFKYXNVAJWXFBD-HKUYNNGSSA-N 2 1 344.503 2.643 10 30 EFEEMP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001674486586 1106202168 /nfs/dbraw/zinc/20/21/68/1106202168.db2.gz MAQNXDBJUYROPR-LJQANCHMSA-N 2 1 329.488 2.861 10 30 EFEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001674499658 1106206661 /nfs/dbraw/zinc/20/66/61/1106206661.db2.gz MLWQNOKJBKSCLD-OALUTQOASA-N 2 1 335.536 2.996 10 30 EFEEMP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001674840306 1106264775 /nfs/dbraw/zinc/26/47/75/1106264775.db2.gz VECCRFYPRDQPGP-UHFFFAOYSA-N 2 1 335.536 2.737 10 30 EFEEMP CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)CC#Cc1ccccc1)[NH+](CC)CC ZINC001674997161 1106288510 /nfs/dbraw/zinc/28/85/10/1106288510.db2.gz POZHHMBMZYFCEQ-ICSRJNTNSA-N 2 1 343.515 2.595 10 30 EFEEMP CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CC#Cc1ccccc1)[NH+](CC)CC ZINC001674997161 1106288514 /nfs/dbraw/zinc/28/85/14/1106288514.db2.gz POZHHMBMZYFCEQ-ICSRJNTNSA-N 2 1 343.515 2.595 10 30 EFEEMP C=CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001675234688 1106321044 /nfs/dbraw/zinc/32/10/44/1106321044.db2.gz ZOVIMAAVKQBQFN-CRAIPNDOSA-N 2 1 327.488 2.650 10 30 EFEEMP C=CC[NH2+]C[C@H](CCCC)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001675234691 1106321155 /nfs/dbraw/zinc/32/11/55/1106321155.db2.gz ZOVIMAAVKQBQFN-YJBOKZPZSA-N 2 1 327.488 2.650 10 30 EFEEMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C(C)(C)C1 ZINC001675487195 1106372252 /nfs/dbraw/zinc/37/22/52/1106372252.db2.gz SOTQRSBOTGSZNT-GOSISDBHSA-N 2 1 329.488 2.521 10 30 EFEEMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C(C)(C)C1 ZINC001675487195 1106372255 /nfs/dbraw/zinc/37/22/55/1106372255.db2.gz SOTQRSBOTGSZNT-GOSISDBHSA-N 2 1 329.488 2.521 10 30 EFEEMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C(C)(C)C1 ZINC001675487195 1106372258 /nfs/dbraw/zinc/37/22/58/1106372258.db2.gz SOTQRSBOTGSZNT-GOSISDBHSA-N 2 1 329.488 2.521 10 30 EFEEMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C(C)(C)C1 ZINC001675487195 1106372261 /nfs/dbraw/zinc/37/22/61/1106372261.db2.gz SOTQRSBOTGSZNT-GOSISDBHSA-N 2 1 329.488 2.521 10 30 EFEEMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001675672919 1106408148 /nfs/dbraw/zinc/40/81/48/1106408148.db2.gz LHGKSODDGRSCMI-UHFFFAOYSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001675672919 1106408150 /nfs/dbraw/zinc/40/81/50/1106408150.db2.gz LHGKSODDGRSCMI-UHFFFAOYSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001675672919 1106408152 /nfs/dbraw/zinc/40/81/52/1106408152.db2.gz LHGKSODDGRSCMI-UHFFFAOYSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001675677107 1106409391 /nfs/dbraw/zinc/40/93/91/1106409391.db2.gz CRMNQLVGGKCYON-UHFFFAOYSA-N 2 1 333.520 2.753 10 30 EFEEMP C=CCCCCC[NH+]1CCCC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001675677071 1106409602 /nfs/dbraw/zinc/40/96/02/1106409602.db2.gz BVIJRILDWGOZOR-IBGZPJMESA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCCCCC[N@H+]1CCCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001675677071 1106409605 /nfs/dbraw/zinc/40/96/05/1106409605.db2.gz BVIJRILDWGOZOR-IBGZPJMESA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCCCCC[N@@H+]1CCCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001675677071 1106409609 /nfs/dbraw/zinc/40/96/09/1106409609.db2.gz BVIJRILDWGOZOR-IBGZPJMESA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCCC[N@H+]1CCCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001675678930 1106409619 /nfs/dbraw/zinc/40/96/19/1106409619.db2.gz XRPMYZSKZSVHCA-UHFFFAOYSA-N 2 1 333.520 2.753 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@]2(C)C1 ZINC001675693099 1106412378 /nfs/dbraw/zinc/41/23/78/1106412378.db2.gz RBVRIIAPMNKOTC-JYRKZWEQSA-N 2 1 347.547 2.996 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@]2(C)C1 ZINC001675693099 1106412381 /nfs/dbraw/zinc/41/23/81/1106412381.db2.gz RBVRIIAPMNKOTC-JYRKZWEQSA-N 2 1 347.547 2.996 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@@]2(C)C1 ZINC001675693099 1106412384 /nfs/dbraw/zinc/41/23/84/1106412384.db2.gz RBVRIIAPMNKOTC-JYRKZWEQSA-N 2 1 347.547 2.996 10 30 EFEEMP C=C(C)CC[N@@H+](C)C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001676074902 1106480472 /nfs/dbraw/zinc/48/04/72/1106480472.db2.gz VTYFSJPMOBURCE-UHFFFAOYSA-N 2 1 332.492 2.861 10 30 EFEEMP C=C(C)CC[N@H+](C)C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001676074902 1106480473 /nfs/dbraw/zinc/48/04/73/1106480473.db2.gz VTYFSJPMOBURCE-UHFFFAOYSA-N 2 1 332.492 2.861 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001676074788 1106480889 /nfs/dbraw/zinc/48/08/89/1106480889.db2.gz SPVDDMZFCULIRK-GOSISDBHSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCCCC[N@H+](C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001676079197 1106481669 /nfs/dbraw/zinc/48/16/69/1106481669.db2.gz JLZVQOXEMMCETB-UHFFFAOYSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC001676692432 1106559478 /nfs/dbraw/zinc/55/94/78/1106559478.db2.gz DXIPPLSKSXIPGB-IEBWSBKVSA-N 2 1 329.488 2.664 10 30 EFEEMP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC001676692432 1106559480 /nfs/dbraw/zinc/55/94/80/1106559480.db2.gz DXIPPLSKSXIPGB-IEBWSBKVSA-N 2 1 329.488 2.664 10 30 EFEEMP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC001676692433 1106559586 /nfs/dbraw/zinc/55/95/86/1106559586.db2.gz DXIPPLSKSXIPGB-MJGOQNOKSA-N 2 1 329.488 2.664 10 30 EFEEMP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC001676692433 1106559590 /nfs/dbraw/zinc/55/95/90/1106559590.db2.gz DXIPPLSKSXIPGB-MJGOQNOKSA-N 2 1 329.488 2.664 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]21 ZINC001676839198 1106601299 /nfs/dbraw/zinc/60/12/99/1106601299.db2.gz ZSAKRGGTKJCGPX-NZSAHSFTSA-N 2 1 333.520 2.654 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC001676839197 1106601431 /nfs/dbraw/zinc/60/14/31/1106601431.db2.gz ZSAKRGGTKJCGPX-BHIYHBOVSA-N 2 1 333.520 2.654 10 30 EFEEMP CC#CC[N@@H+](C)CCN(C(=O)c1cccc(C[NH+](C)C)c1)C(C)C ZINC001677218988 1106676881 /nfs/dbraw/zinc/67/68/81/1106676881.db2.gz IYMKYZAZZZODHC-UHFFFAOYSA-N 2 1 329.488 2.554 10 30 EFEEMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001677603381 1106771400 /nfs/dbraw/zinc/77/14/00/1106771400.db2.gz PJXFAYRWVZSPFM-IBGZPJMESA-N 2 1 337.483 2.523 10 30 EFEEMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001677603381 1106771412 /nfs/dbraw/zinc/77/14/12/1106771412.db2.gz PJXFAYRWVZSPFM-IBGZPJMESA-N 2 1 337.483 2.523 10 30 EFEEMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001677603381 1106771422 /nfs/dbraw/zinc/77/14/22/1106771422.db2.gz PJXFAYRWVZSPFM-IBGZPJMESA-N 2 1 337.483 2.523 10 30 EFEEMP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001272565868 1108673639 /nfs/dbraw/zinc/67/36/39/1108673639.db2.gz PIFCSBNZROWBCU-VQIMIIECSA-N 2 1 339.499 2.603 10 30 EFEEMP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001272651620 1111879863 /nfs/dbraw/zinc/87/98/63/1111879863.db2.gz GHEFRKMWJMVUJU-AEFFLSMTSA-N 2 1 349.906 2.870 10 30 EFEEMP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001272651621 1111880107 /nfs/dbraw/zinc/88/01/07/1111880107.db2.gz GHEFRKMWJMVUJU-FUHWJXTLSA-N 2 1 349.906 2.870 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)CCCC[NH+](C)C)CC2)C1 ZINC001483800367 1112459382 /nfs/dbraw/zinc/45/93/82/1112459382.db2.gz YHIKIGZZCJVJKO-LJQANCHMSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001483802797 1112466754 /nfs/dbraw/zinc/46/67/54/1112466754.db2.gz VAMMEOVDWQFDOB-IAGOWNOFSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@H+](C)CCC)C1 ZINC001483802797 1112466749 /nfs/dbraw/zinc/46/67/49/1112466749.db2.gz VAMMEOVDWQFDOB-IAGOWNOFSA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001483802797 1112466752 /nfs/dbraw/zinc/46/67/52/1112466752.db2.gz VAMMEOVDWQFDOB-IAGOWNOFSA-N 2 1 341.927 2.784 10 30 EFEEMP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001483805207 1112473403 /nfs/dbraw/zinc/47/34/03/1112473403.db2.gz ZOBGXERTOAHLQN-NXEWRWPSSA-N 2 1 345.531 2.632 10 30 EFEEMP C=CCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001483832470 1112493211 /nfs/dbraw/zinc/49/32/11/1112493211.db2.gz CPNBLSXRQJDFSA-ICSRJNTNSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001483832470 1112493212 /nfs/dbraw/zinc/49/32/12/1112493212.db2.gz CPNBLSXRQJDFSA-ICSRJNTNSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001483832470 1112493214 /nfs/dbraw/zinc/49/32/14/1112493214.db2.gz CPNBLSXRQJDFSA-ICSRJNTNSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001483846873 1112507090 /nfs/dbraw/zinc/50/70/90/1112507090.db2.gz CUASOIYTZPYSFC-WIYYLYMNSA-N 2 1 347.547 2.997 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001483847110 1112508234 /nfs/dbraw/zinc/50/82/34/1112508234.db2.gz JADQYLIULIIBKL-HXUWFJFHSA-N 2 1 333.520 2.753 10 30 EFEEMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)C[N@H+](C)CCCCCC)C2)C1 ZINC001483849110 1112510569 /nfs/dbraw/zinc/51/05/69/1112510569.db2.gz QNQGRRFPGOUEEM-FQEVSTJZSA-N 2 1 335.536 2.999 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001483959297 1112589790 /nfs/dbraw/zinc/58/97/90/1112589790.db2.gz PXZPQXCQHFUOMH-RTBURBONSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCCCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001483953861 1112597133 /nfs/dbraw/zinc/59/71/33/1112597133.db2.gz QVBKAYQUKSUQSC-ICSRJNTNSA-N 2 1 333.520 2.799 10 30 EFEEMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001483977055 1112618890 /nfs/dbraw/zinc/61/88/90/1112618890.db2.gz SJAKPAPACPUIBW-GASCZTMLSA-N 2 1 327.900 2.582 10 30 EFEEMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001483977055 1112618892 /nfs/dbraw/zinc/61/88/92/1112618892.db2.gz SJAKPAPACPUIBW-GASCZTMLSA-N 2 1 327.900 2.582 10 30 EFEEMP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC[NH+](CC2CCC2)CC1 ZINC001483983930 1112629559 /nfs/dbraw/zinc/62/95/59/1112629559.db2.gz FEJLGJMACFVQPL-HXUWFJFHSA-N 2 1 345.531 2.586 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001484019307 1112670658 /nfs/dbraw/zinc/67/06/58/1112670658.db2.gz ACMQGBBGFQBBHP-UYAOXDASSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001484021113 1112673456 /nfs/dbraw/zinc/67/34/56/1112673456.db2.gz YCTXROCCQXDNPZ-UYAOXDASSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001484021113 1112673457 /nfs/dbraw/zinc/67/34/57/1112673457.db2.gz YCTXROCCQXDNPZ-UYAOXDASSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001484021113 1112673459 /nfs/dbraw/zinc/67/34/59/1112673459.db2.gz YCTXROCCQXDNPZ-UYAOXDASSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001484022870 1112675781 /nfs/dbraw/zinc/67/57/81/1112675781.db2.gz QWUYDCAZCFDYSM-FQEVSTJZSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001484022870 1112675782 /nfs/dbraw/zinc/67/57/82/1112675782.db2.gz QWUYDCAZCFDYSM-FQEVSTJZSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001484022870 1112675783 /nfs/dbraw/zinc/67/57/83/1112675783.db2.gz QWUYDCAZCFDYSM-FQEVSTJZSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001484022871 1112675829 /nfs/dbraw/zinc/67/58/29/1112675829.db2.gz QWUYDCAZCFDYSM-HXUWFJFHSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001484022871 1112675830 /nfs/dbraw/zinc/67/58/30/1112675830.db2.gz QWUYDCAZCFDYSM-HXUWFJFHSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001484022871 1112675832 /nfs/dbraw/zinc/67/58/32/1112675832.db2.gz QWUYDCAZCFDYSM-HXUWFJFHSA-N 2 1 335.536 2.855 10 30 EFEEMP CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001484022938 1112676349 /nfs/dbraw/zinc/67/63/49/1112676349.db2.gz RRRINYZHNXPKKU-CTNGQTDRSA-N 2 1 347.547 2.835 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001484173471 1112866187 /nfs/dbraw/zinc/86/61/87/1112866187.db2.gz FUTMYEWDTINPGP-WMZOPIPTSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001484173471 1112866189 /nfs/dbraw/zinc/86/61/89/1112866189.db2.gz FUTMYEWDTINPGP-WMZOPIPTSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001484173471 1112866191 /nfs/dbraw/zinc/86/61/91/1112866191.db2.gz FUTMYEWDTINPGP-WMZOPIPTSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001484173471 1112866193 /nfs/dbraw/zinc/86/61/93/1112866193.db2.gz FUTMYEWDTINPGP-WMZOPIPTSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(C)C[NH+]1CCC(F)(F)[C@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001484195303 1112909590 /nfs/dbraw/zinc/90/95/90/1112909590.db2.gz KFQHOEHQPBLSGR-CVEARBPZSA-N 2 1 343.462 2.510 10 30 EFEEMP C=C(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001484195303 1112909595 /nfs/dbraw/zinc/90/95/95/1112909595.db2.gz KFQHOEHQPBLSGR-CVEARBPZSA-N 2 1 343.462 2.510 10 30 EFEEMP C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001484195303 1112909600 /nfs/dbraw/zinc/90/96/00/1112909600.db2.gz KFQHOEHQPBLSGR-CVEARBPZSA-N 2 1 343.462 2.510 10 30 EFEEMP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001484544070 1112997193 /nfs/dbraw/zinc/99/71/93/1112997193.db2.gz SWSHFUVILSYPEZ-MRXNPFEDSA-N 2 1 338.883 2.552 10 30 EFEEMP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001484548689 1113001296 /nfs/dbraw/zinc/00/12/96/1113001296.db2.gz XTXJEPIYLZMLKI-AZUAARDMSA-N 2 1 341.499 2.531 10 30 EFEEMP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)cc1 ZINC001484559196 1113013001 /nfs/dbraw/zinc/01/30/01/1113013001.db2.gz OCJPBBFIZXOIER-ZYSHUDEJSA-N 2 1 329.488 2.870 10 30 EFEEMP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2CC)cc1 ZINC001484562812 1113024933 /nfs/dbraw/zinc/02/49/33/1113024933.db2.gz GVKOFQNDDYKMEX-YLJYHZDGSA-N 2 1 341.499 2.851 10 30 EFEEMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CCC1 ZINC001484663090 1113103612 /nfs/dbraw/zinc/10/36/12/1113103612.db2.gz GZCDGOZXMUNQSM-GOSISDBHSA-N 2 1 329.488 2.884 10 30 EFEEMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001484832216 1117766849 /nfs/dbraw/zinc/76/68/49/1117766849.db2.gz VUGOSGRCBZBLPV-FQEVSTJZSA-N 2 1 333.520 2.753 10 30 EFEEMP C=CCCC[NH2+]C1(C)CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001484923825 1117840295 /nfs/dbraw/zinc/84/02/95/1117840295.db2.gz DEXBPURAARMZHF-UHFFFAOYSA-N 2 1 332.492 2.943 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001484943297 1117870238 /nfs/dbraw/zinc/87/02/38/1117870238.db2.gz MBQJXRPXJROMPZ-ROUUACIJSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CCCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)CC[NH+](C)C ZINC001485004423 1117933956 /nfs/dbraw/zinc/93/39/56/1117933956.db2.gz NNKZDRQPSDYHGE-IBGZPJMESA-N 2 1 329.488 2.620 10 30 EFEEMP C=CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001485005634 1117936173 /nfs/dbraw/zinc/93/61/73/1117936173.db2.gz DECQVRWBXVTTPD-WOJBJXKFSA-N 2 1 343.515 2.864 10 30 EFEEMP C=CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001485005632 1117936470 /nfs/dbraw/zinc/93/64/70/1117936470.db2.gz DECQVRWBXVTTPD-VQTJNVASSA-N 2 1 343.515 2.864 10 30 EFEEMP C=CC[N@H+](CC)CC1CCN(C(=O)Cc2cn3c(n2)CCCC3)CC1 ZINC001485030804 1117956152 /nfs/dbraw/zinc/95/61/52/1117956152.db2.gz CVINAVLVNAWGSQ-UHFFFAOYSA-N 2 1 344.503 2.508 10 30 EFEEMP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001485041838 1117959701 /nfs/dbraw/zinc/95/97/01/1117959701.db2.gz OBESMPOBZZLXLE-IBGZPJMESA-N 2 1 329.488 2.665 10 30 EFEEMP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001485041838 1117959704 /nfs/dbraw/zinc/95/97/04/1117959704.db2.gz OBESMPOBZZLXLE-IBGZPJMESA-N 2 1 329.488 2.665 10 30 EFEEMP C=CCC[C@@H](C)[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001485043986 1117962350 /nfs/dbraw/zinc/96/23/50/1117962350.db2.gz JLKYDPVCIHTBDG-HUYLIWGRSA-N 2 1 341.499 2.807 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001485036872 1117969640 /nfs/dbraw/zinc/96/96/40/1117969640.db2.gz GTJLGURJSGHOOL-JKSUJKDBSA-N 2 1 327.900 2.582 10 30 EFEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001485073504 1118012069 /nfs/dbraw/zinc/01/20/69/1118012069.db2.gz SGJMHERLSBXVSZ-IBGZPJMESA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001485253239 1118168857 /nfs/dbraw/zinc/16/88/57/1118168857.db2.gz DUNGWIMKXCKVDL-CVEARBPZSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001485439680 1118351778 /nfs/dbraw/zinc/35/17/78/1118351778.db2.gz JCIQYSMLAYVODZ-HOTGVXAUSA-N 2 1 329.916 2.543 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CC2CCCCC2)CC1 ZINC000940158086 1118376887 /nfs/dbraw/zinc/37/68/87/1118376887.db2.gz OPJONASLMJAKFI-IBGZPJMESA-N 2 1 345.531 2.635 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CC2CCCCC2)CC1 ZINC000940158086 1118376892 /nfs/dbraw/zinc/37/68/92/1118376892.db2.gz OPJONASLMJAKFI-IBGZPJMESA-N 2 1 345.531 2.635 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@@H+]2CCCC=C)CC1 ZINC001485484547 1118391344 /nfs/dbraw/zinc/39/13/44/1118391344.db2.gz HYBQNIPHCGZKTL-FQEVSTJZSA-N 2 1 345.531 2.659 10 30 EFEEMP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCn3cc[nH+]c3C)C[C@H]2C1 ZINC001485659330 1118509394 /nfs/dbraw/zinc/50/93/94/1118509394.db2.gz ZSQXESOQLYVMKN-GBESFXJTSA-N 2 1 344.503 2.765 10 30 EFEEMP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCn3cc[nH+]c3C)C[C@H]2C1 ZINC001485659330 1118509396 /nfs/dbraw/zinc/50/93/96/1118509396.db2.gz ZSQXESOQLYVMKN-GBESFXJTSA-N 2 1 344.503 2.765 10 30 EFEEMP CC#CC[NH+]1CCCC2(CN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001485661482 1118510518 /nfs/dbraw/zinc/51/05/18/1118510518.db2.gz AHKUIQWAWPPDPN-UHFFFAOYSA-N 2 1 345.531 2.589 10 30 EFEEMP CC#CC[NH+]1CCCC2(CN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001485661482 1118510520 /nfs/dbraw/zinc/51/05/20/1118510520.db2.gz AHKUIQWAWPPDPN-UHFFFAOYSA-N 2 1 345.531 2.589 10 30 EFEEMP C=CCCC[N@H+]1CCCC2(CN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001485664463 1118513033 /nfs/dbraw/zinc/51/30/33/1118513033.db2.gz WIUFSGKOYMVQOI-UHFFFAOYSA-N 2 1 344.503 2.862 10 30 EFEEMP C=CCCC[N@@H+]1CCCC2(CN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001485664463 1118513036 /nfs/dbraw/zinc/51/30/36/1118513036.db2.gz WIUFSGKOYMVQOI-UHFFFAOYSA-N 2 1 344.503 2.862 10 30 EFEEMP CCCCCCC[N@H+]1CCCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001485666345 1118515096 /nfs/dbraw/zinc/51/50/96/1118515096.db2.gz KNSKAPVMCMCYLN-UHFFFAOYSA-N 2 1 347.547 2.977 10 30 EFEEMP CC#CC[NH2+][C@H](CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C(C)C ZINC001485786934 1118593130 /nfs/dbraw/zinc/59/31/30/1118593130.db2.gz WFPWBXTYAFJDBD-GOSISDBHSA-N 2 1 335.536 2.783 10 30 EFEEMP C[NH+]=C(NCc1nc(C(C)C)c(C)s1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262009061 240338044 /nfs/dbraw/zinc/33/80/44/240338044.db2.gz WDWPJKJCWXPHON-SWLSCSKDSA-N 2 1 349.548 2.723 10 30 EFEEMP C[NH+]=C(NCc1cccc(-c2ccccn2)c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262030192 240342732 /nfs/dbraw/zinc/34/27/32/240342732.db2.gz SGZDXXSRVKEPPR-GOSISDBHSA-N 2 1 349.482 2.650 10 30 EFEEMP C[NH+]=C(NCc1cccc(-c2ccccn2)c1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262030192 240342739 /nfs/dbraw/zinc/34/27/39/240342739.db2.gz SGZDXXSRVKEPPR-GOSISDBHSA-N 2 1 349.482 2.650 10 30 EFEEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CCCn2cc(C)nc21 ZINC000328660242 241213144 /nfs/dbraw/zinc/21/31/44/241213144.db2.gz VAIORSHELGWQPJ-BRWVUGGUSA-N 2 1 345.491 2.542 10 30 EFEEMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCn3cc(C)nc32)[C@@H](C)C1 ZINC000328656407 241214718 /nfs/dbraw/zinc/21/47/18/241214718.db2.gz NUZWAPSQWXYFJW-XIRDDKMYSA-N 2 1 347.507 2.645 10 30 EFEEMP C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000342767332 145187799 /nfs/dbraw/zinc/18/77/99/145187799.db2.gz ALUBDPPAUIPMNW-DOTOQJQBSA-N 2 1 337.471 2.949 10 30 EFEEMP C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000342767332 145187804 /nfs/dbraw/zinc/18/78/04/145187804.db2.gz ALUBDPPAUIPMNW-DOTOQJQBSA-N 2 1 337.471 2.949 10 30 EFEEMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000113323927 544569932 /nfs/dbraw/zinc/56/99/32/544569932.db2.gz QXNXQSXJXCKZIN-KRWDZBQOSA-N 2 1 337.471 2.895 10 30 EFEEMP C=CCCC[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000076734305 472393490 /nfs/dbraw/zinc/39/34/90/472393490.db2.gz HURMPCRNFPZQQM-UHFFFAOYSA-N 2 1 343.515 2.974 10 30 EFEEMP C=CCCC[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000076735137 472394022 /nfs/dbraw/zinc/39/40/22/472394022.db2.gz IUXHFTPMYVJOGZ-UHFFFAOYSA-N 2 1 343.515 2.927 10 30 EFEEMP C=CCCC[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000076735137 472394028 /nfs/dbraw/zinc/39/40/28/472394028.db2.gz IUXHFTPMYVJOGZ-UHFFFAOYSA-N 2 1 343.515 2.927 10 30 EFEEMP C=CCCC[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000076735137 472394034 /nfs/dbraw/zinc/39/40/34/472394034.db2.gz IUXHFTPMYVJOGZ-UHFFFAOYSA-N 2 1 343.515 2.927 10 30 EFEEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000130834753 472631987 /nfs/dbraw/zinc/63/19/87/472631987.db2.gz OIVHWBVYMUTSEE-WBVHZDCISA-N 2 1 330.476 2.535 10 30 EFEEMP C#CCCOc1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000121127440 472803762 /nfs/dbraw/zinc/80/37/62/472803762.db2.gz APOBUJQWDFEEDN-SFHVURJKSA-N 2 1 344.499 2.613 10 30 EFEEMP C[NH+](C)C1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000134984938 473002569 /nfs/dbraw/zinc/00/25/69/473002569.db2.gz UDCZLCHUIAIILD-UHFFFAOYSA-N 2 1 334.851 2.566 10 30 EFEEMP C[NH+]=C(NCc1cc(C(C)C)no1)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000080893740 473097084 /nfs/dbraw/zinc/09/70/84/473097084.db2.gz OACFMQYHSHIORP-HNNXBMFYSA-N 2 1 335.496 2.583 10 30 EFEEMP N#Cc1ccc2ncc(C[NH2+]C3CC[NH+](CC4CCCC4)CC3)n2c1 ZINC000123503912 473149208 /nfs/dbraw/zinc/14/92/08/473149208.db2.gz UMYFWWDAUUXUBT-UHFFFAOYSA-N 2 1 337.471 2.950 10 30 EFEEMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H](O)c3ccc(C#N)cc3)C2)n1 ZINC000127364844 473603589 /nfs/dbraw/zinc/60/35/89/473603589.db2.gz RDTNLCBNLCYPJB-HKUYNNGSSA-N 2 1 336.439 2.729 10 30 EFEEMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H](O)c3ccc(C#N)cc3)C2)[nH+]1 ZINC000127364844 473603603 /nfs/dbraw/zinc/60/36/03/473603603.db2.gz RDTNLCBNLCYPJB-HKUYNNGSSA-N 2 1 336.439 2.729 10 30 EFEEMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@H](O)c3ccc(C#N)cc3)C2)n1 ZINC000127365072 473604236 /nfs/dbraw/zinc/60/42/36/473604236.db2.gz RDTNLCBNLCYPJB-MJGOQNOKSA-N 2 1 336.439 2.729 10 30 EFEEMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@H](O)c3ccc(C#N)cc3)C2)[nH+]1 ZINC000127365072 473604248 /nfs/dbraw/zinc/60/42/48/473604248.db2.gz RDTNLCBNLCYPJB-MJGOQNOKSA-N 2 1 336.439 2.729 10 30 EFEEMP Cc1cc(C#N)ccc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000186313184 473645978 /nfs/dbraw/zinc/64/59/78/473645978.db2.gz FOMOQENDUMUYEH-WCRBZPEASA-N 2 1 338.499 2.610 10 30 EFEEMP Cc1cc(C#N)ccc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000186313184 473645984 /nfs/dbraw/zinc/64/59/84/473645984.db2.gz FOMOQENDUMUYEH-WCRBZPEASA-N 2 1 338.499 2.610 10 30 EFEEMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2sccc2C#N)[C@@H](C)C1 ZINC000246428257 473860343 /nfs/dbraw/zinc/86/03/43/473860343.db2.gz CLLXXJAYKHUBLN-ZFWWWQNUSA-N 2 1 334.489 2.610 10 30 EFEEMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2sccc2C#N)[C@@H](C)C1 ZINC000246428257 473860349 /nfs/dbraw/zinc/86/03/49/473860349.db2.gz CLLXXJAYKHUBLN-ZFWWWQNUSA-N 2 1 334.489 2.610 10 30 EFEEMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2sccc2C#N)[C@@H](C)C1 ZINC000246428257 473860356 /nfs/dbraw/zinc/86/03/56/473860356.db2.gz CLLXXJAYKHUBLN-ZFWWWQNUSA-N 2 1 334.489 2.610 10 30 EFEEMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)cc1 ZINC000183684449 474412068 /nfs/dbraw/zinc/41/20/68/474412068.db2.gz GJOWPIBHOVRIQQ-LSDHHAIUSA-N 2 1 339.443 2.592 10 30 EFEEMP CC[N@H+]1CC[C@H](N(C)CC(=O)N(CCC#N)c2ccccc2)[C@@H](C)C1 ZINC000245413886 474582656 /nfs/dbraw/zinc/58/26/56/474582656.db2.gz BWBNXXQJYBTRQG-HKUYNNGSSA-N 2 1 342.487 2.595 10 30 EFEEMP N#CCCOCCN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000292858094 474678188 /nfs/dbraw/zinc/67/81/88/474678188.db2.gz RFWQCSZUCANOJY-UXHICEINSA-N 2 1 327.472 2.903 10 30 EFEEMP N#CCCOCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000292858094 474678197 /nfs/dbraw/zinc/67/81/97/474678197.db2.gz RFWQCSZUCANOJY-UXHICEINSA-N 2 1 327.472 2.903 10 30 EFEEMP N#CCCOCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000292858094 474678205 /nfs/dbraw/zinc/67/82/05/474678205.db2.gz RFWQCSZUCANOJY-UXHICEINSA-N 2 1 327.472 2.903 10 30 EFEEMP N#CCCOCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000292858094 474678209 /nfs/dbraw/zinc/67/82/09/474678209.db2.gz RFWQCSZUCANOJY-UXHICEINSA-N 2 1 327.472 2.903 10 30 EFEEMP N#CCCOCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000292858094 474678218 /nfs/dbraw/zinc/67/82/18/474678218.db2.gz RFWQCSZUCANOJY-UXHICEINSA-N 2 1 327.472 2.903 10 30 EFEEMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(C#N)cc1F ZINC000358556361 475768552 /nfs/dbraw/zinc/76/85/52/475768552.db2.gz ARGCBKAWWMNGQA-OAHLLOKOSA-N 2 1 332.467 2.622 10 30 EFEEMP C=CCOc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000354017958 476367809 /nfs/dbraw/zinc/36/78/09/476367809.db2.gz NHZQZEBUMXFDQW-WIYYLYMNSA-N 2 1 343.515 2.709 10 30 EFEEMP C=CCOc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000354017958 476367815 /nfs/dbraw/zinc/36/78/15/476367815.db2.gz NHZQZEBUMXFDQW-WIYYLYMNSA-N 2 1 343.515 2.709 10 30 EFEEMP C=CCOc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000354017955 476368036 /nfs/dbraw/zinc/36/80/36/476368036.db2.gz NHZQZEBUMXFDQW-GHTZIAJQSA-N 2 1 343.515 2.709 10 30 EFEEMP C=CCOc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000354017955 476368041 /nfs/dbraw/zinc/36/80/41/476368041.db2.gz NHZQZEBUMXFDQW-GHTZIAJQSA-N 2 1 343.515 2.709 10 30 EFEEMP C=CCOc1ccccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354026422 476375375 /nfs/dbraw/zinc/37/53/75/476375375.db2.gz SUHBYKMIAWFZFO-AZUAARDMSA-N 2 1 343.515 2.709 10 30 EFEEMP C=CCOc1ccccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354026422 476375381 /nfs/dbraw/zinc/37/53/81/476375381.db2.gz SUHBYKMIAWFZFO-AZUAARDMSA-N 2 1 343.515 2.709 10 30 EFEEMP N#C[C@@H]1CCCC[C@@H]1NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390878298 476807913 /nfs/dbraw/zinc/80/79/13/476807913.db2.gz UBVRPJOSYSVPKO-UFYCRDLUSA-N 2 1 327.472 2.949 10 30 EFEEMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCCCC#N ZINC000594310121 478327493 /nfs/dbraw/zinc/32/74/93/478327493.db2.gz WAUVLCYJRYCRTN-UHFFFAOYSA-N 2 1 348.535 2.725 10 30 EFEEMP C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000594436825 478387484 /nfs/dbraw/zinc/38/74/84/478387484.db2.gz GGTKMVWQEDZFNT-NZSAHSFTSA-N 2 1 342.487 2.567 10 30 EFEEMP C[C@@H]1C[C@@H](CC[NH2+]C[C@H](O)CC2(C#N)CC2)C[N@H+]1Cc1ccccc1 ZINC000600729695 478492577 /nfs/dbraw/zinc/49/25/77/478492577.db2.gz WWHQYKNMBROESA-MISYRCLQSA-N 2 1 341.499 2.931 10 30 EFEEMP CC(C)(C)[N@@H+]1CC[C@@H]1CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000594962868 478607991 /nfs/dbraw/zinc/60/79/91/478607991.db2.gz MDQAVJZUNYVVRL-HXUWFJFHSA-N 2 1 340.515 2.985 10 30 EFEEMP CC(C)(C)[N@H+]1CC[C@@H]1CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000594962868 478608001 /nfs/dbraw/zinc/60/80/01/478608001.db2.gz MDQAVJZUNYVVRL-HXUWFJFHSA-N 2 1 340.515 2.985 10 30 EFEEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000599372386 479274507 /nfs/dbraw/zinc/27/45/07/479274507.db2.gz IZTCOSBIWMFIES-BHIYHBOVSA-N 2 1 327.472 2.541 10 30 EFEEMP Cc1ccc(CN(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000599379781 479276722 /nfs/dbraw/zinc/27/67/22/479276722.db2.gz SZTXIGPXBYHPJZ-QFIPXVFZSA-N 2 1 349.478 2.936 10 30 EFEEMP Cc1ccc(C[N@@H+](C)C[C@@]2(O)CCN(Cc3ccccc3)C2)cc1C#N ZINC000599379781 479276727 /nfs/dbraw/zinc/27/67/27/479276727.db2.gz SZTXIGPXBYHPJZ-QFIPXVFZSA-N 2 1 349.478 2.936 10 30 EFEEMP Cc1ccc(C[N@H+](C)C[C@@]2(O)CCN(Cc3ccccc3)C2)cc1C#N ZINC000599379781 479276732 /nfs/dbraw/zinc/27/67/32/479276732.db2.gz SZTXIGPXBYHPJZ-QFIPXVFZSA-N 2 1 349.478 2.936 10 30 EFEEMP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3c(CC#N)cccc3C2)CC1 ZINC000599679354 479386550 /nfs/dbraw/zinc/38/65/50/479386550.db2.gz YZCJYQXQDUZABH-UHFFFAOYSA-N 2 1 340.515 2.527 10 30 EFEEMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(C2(C#N)CC2)cc1 ZINC000597030708 479541984 /nfs/dbraw/zinc/54/19/84/479541984.db2.gz VBBGTUSFRVSIEP-AABGKKOBSA-N 2 1 339.483 2.925 10 30 EFEEMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C3(C#N)CC3)cc1)CCO2 ZINC000597158782 479598605 /nfs/dbraw/zinc/59/86/05/479598605.db2.gz YNKWUYUZIYMXKV-UHFFFAOYSA-N 2 1 325.456 2.538 10 30 EFEEMP CN(c1ccccc1C[N@@H+]1CC[C@@](C)(C#N)C1)C1CC[NH+](C)CC1 ZINC000597229591 479633517 /nfs/dbraw/zinc/63/35/17/479633517.db2.gz MXKNZEYVHHMHNG-FQEVSTJZSA-N 2 1 326.488 2.953 10 30 EFEEMP CN(c1ccccc1C[N@H+]1CC[C@@](C)(C#N)C1)C1CC[NH+](C)CC1 ZINC000597229591 479633520 /nfs/dbraw/zinc/63/35/20/479633520.db2.gz MXKNZEYVHHMHNG-FQEVSTJZSA-N 2 1 326.488 2.953 10 30 EFEEMP C=CCCCN(C)C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638012164 480460429 /nfs/dbraw/zinc/46/04/29/480460429.db2.gz UOXBBFAGOWZWPS-UHFFFAOYSA-N 2 1 329.488 2.795 10 30 EFEEMP C=CCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650705877 481272432 /nfs/dbraw/zinc/27/24/32/481272432.db2.gz ZKBIHOIEBXCGAF-NSHGMRRFSA-N 2 1 330.472 2.970 10 30 EFEEMP C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000651678478 481901803 /nfs/dbraw/zinc/90/18/03/481901803.db2.gz RQIMAFVNBUSFHM-XLIONFOSSA-N 2 1 341.499 2.909 10 30 EFEEMP C=CC[C@]1(C(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)CCC[NH2+]1 ZINC000662673609 481927728 /nfs/dbraw/zinc/92/77/28/481927728.db2.gz NCWJKBQJVAFDEB-OAQYLSRUSA-N 2 1 341.499 2.728 10 30 EFEEMP C=CC[C@@]1(C(=O)NC[C@@H](CC)[N@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000662678941 481930508 /nfs/dbraw/zinc/93/05/08/481930508.db2.gz KRPSZUPQCAPMTM-CTNGQTDRSA-N 2 1 341.499 2.638 10 30 EFEEMP C=CC[C@]1(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662693792 481936993 /nfs/dbraw/zinc/93/69/93/481936993.db2.gz RAXJZNGGVDLBJY-PZJWPPBQSA-N 2 1 341.499 2.713 10 30 EFEEMP C=CC[C@]1(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CCC[NH2+]1 ZINC000662696859 481938283 /nfs/dbraw/zinc/93/82/83/481938283.db2.gz XKSMCAYUNQENLB-IMFGXOCKSA-N 2 1 327.472 2.636 10 30 EFEEMP C=CC[C@]1(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CCC[NH2+]1 ZINC000662697949 481939596 /nfs/dbraw/zinc/93/95/96/481939596.db2.gz FOFJVNGADOVEKI-NLWGTHIKSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CC[C@@]1(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000662750707 481957851 /nfs/dbraw/zinc/95/78/51/481957851.db2.gz DPRQCCACSZOUQX-XLIONFOSSA-N 2 1 329.488 2.712 10 30 EFEEMP CC(C)[N@@H+]1C[C@H](C)[C@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000245851126 519695699 /nfs/dbraw/zinc/69/56/99/519695699.db2.gz GKMGNXDRZMDOIU-LAUBAEHRSA-N 2 1 340.515 2.841 10 30 EFEEMP CC(C)[N@H+]1C[C@H](C)[C@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000245851126 519695702 /nfs/dbraw/zinc/69/57/02/519695702.db2.gz GKMGNXDRZMDOIU-LAUBAEHRSA-N 2 1 340.515 2.841 10 30 EFEEMP CC[NH+]=C(NC[C@H](C)[NH+](C)C)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000261970965 535264450 /nfs/dbraw/zinc/26/44/50/535264450.db2.gz MVPMXDOFDYLYPL-GOEBONIOSA-N 2 1 332.492 2.794 10 30 EFEEMP CCC#C[C@@H](C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000671720142 547658229 /nfs/dbraw/zinc/65/82/29/547658229.db2.gz HPMMAYTVFSOIEK-CTNGQTDRSA-N 2 1 325.500 2.680 10 30 EFEEMP CCC#C[C@@H](C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000671720142 547658232 /nfs/dbraw/zinc/65/82/32/547658232.db2.gz HPMMAYTVFSOIEK-CTNGQTDRSA-N 2 1 325.500 2.680 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001691350200 1248681686 /nfs/dbraw/zinc/68/16/86/1248681686.db2.gz QUPUQRXNVRCKSG-QAPCUYQASA-N 2 1 347.890 2.547 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001691350200 1248681700 /nfs/dbraw/zinc/68/17/00/1248681700.db2.gz QUPUQRXNVRCKSG-QAPCUYQASA-N 2 1 347.890 2.547 10 30 EFEEMP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001691370209 1248705717 /nfs/dbraw/zinc/70/57/17/1248705717.db2.gz HVNQECDBOXWAMV-NXHRZFHOSA-N 2 1 344.503 2.547 10 30 EFEEMP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001691410537 1248751794 /nfs/dbraw/zinc/75/17/94/1248751794.db2.gz RAIGWFMAFSSGFK-RTBURBONSA-N 2 1 329.488 2.788 10 30 EFEEMP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001691410537 1248751807 /nfs/dbraw/zinc/75/18/07/1248751807.db2.gz RAIGWFMAFSSGFK-RTBURBONSA-N 2 1 329.488 2.788 10 30 EFEEMP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001691410537 1248751814 /nfs/dbraw/zinc/75/18/14/1248751814.db2.gz RAIGWFMAFSSGFK-RTBURBONSA-N 2 1 329.488 2.788 10 30 EFEEMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001691410537 1248751822 /nfs/dbraw/zinc/75/18/22/1248751822.db2.gz RAIGWFMAFSSGFK-RTBURBONSA-N 2 1 329.488 2.788 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001691417029 1248757671 /nfs/dbraw/zinc/75/76/71/1248757671.db2.gz SRCKKBNJPUNNMO-OALUTQOASA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@@H]2[C@H](NC(=O)CC[N@H+](C)CCC)C(C)(C)[C@H]21 ZINC001691428994 1248883452 /nfs/dbraw/zinc/88/34/52/1248883452.db2.gz SXYGYMOSKSSQPH-NEWSRXKRSA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@@H]2[C@H](NC(=O)CC[NH+](C)CCC)C(C)(C)[C@H]21 ZINC001691428994 1248883464 /nfs/dbraw/zinc/88/34/64/1248883464.db2.gz SXYGYMOSKSSQPH-NEWSRXKRSA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CC[NH+](C)CCC)C(C)(C)[C@H]21 ZINC001691428994 1248883472 /nfs/dbraw/zinc/88/34/72/1248883472.db2.gz SXYGYMOSKSSQPH-NEWSRXKRSA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@H]1C(F)(F)F ZINC001691445917 1249136390 /nfs/dbraw/zinc/13/63/90/1249136390.db2.gz NDTQFAHANTZPEZ-HUUCEWRRSA-N 2 1 349.441 2.521 10 30 EFEEMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@@H]1C(F)(F)F ZINC001691445915 1249137097 /nfs/dbraw/zinc/13/70/97/1249137097.db2.gz NDTQFAHANTZPEZ-CABCVRRESA-N 2 1 349.441 2.521 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CCCCC1 ZINC001268121788 1249697429 /nfs/dbraw/zinc/69/74/29/1249697429.db2.gz XIHILANXGNKSIB-IEBWSBKVSA-N 2 1 335.536 2.949 10 30 EFEEMP C=C(C)CC[N@@H+](C)CCCN(C)C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1 ZINC001772542002 1248275601 /nfs/dbraw/zinc/27/56/01/1248275601.db2.gz VODOWFSXRAZEFE-GOSISDBHSA-N 2 1 347.507 2.537 10 30 EFEEMP C=C(C)CC[N@H+](C)CCCN(C)C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1 ZINC001772542002 1248275611 /nfs/dbraw/zinc/27/56/11/1248275611.db2.gz VODOWFSXRAZEFE-GOSISDBHSA-N 2 1 347.507 2.537 10 30 EFEEMP C=C(C)CC[NH+](C)CCCN(C)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001772542002 1248275620 /nfs/dbraw/zinc/27/56/20/1248275620.db2.gz VODOWFSXRAZEFE-GOSISDBHSA-N 2 1 347.507 2.537 10 30 EFEEMP C=C(C)CC[NH+](C)CCCN(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001772542002 1248275626 /nfs/dbraw/zinc/27/56/26/1248275626.db2.gz VODOWFSXRAZEFE-GOSISDBHSA-N 2 1 347.507 2.537 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001691057960 1248319048 /nfs/dbraw/zinc/31/90/48/1248319048.db2.gz FPPHMUZYIFGIMH-LPHOPBHVSA-N 2 1 339.499 2.698 10 30 EFEEMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001691057960 1248319059 /nfs/dbraw/zinc/31/90/59/1248319059.db2.gz FPPHMUZYIFGIMH-LPHOPBHVSA-N 2 1 339.499 2.698 10 30 EFEEMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001691057960 1248319072 /nfs/dbraw/zinc/31/90/72/1248319072.db2.gz FPPHMUZYIFGIMH-LPHOPBHVSA-N 2 1 339.499 2.698 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC/C=C\CCC)CC1 ZINC001691075528 1248364154 /nfs/dbraw/zinc/36/41/54/1248364154.db2.gz TYXPUYZHUDDRSO-AQWUKCDYSA-N 2 1 345.531 2.611 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001691106646 1248417388 /nfs/dbraw/zinc/41/73/88/1248417388.db2.gz YFMNTBKSEHMLEE-RTBURBONSA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001691106646 1248417397 /nfs/dbraw/zinc/41/73/97/1248417397.db2.gz YFMNTBKSEHMLEE-RTBURBONSA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001691106646 1248417400 /nfs/dbraw/zinc/41/74/00/1248417400.db2.gz YFMNTBKSEHMLEE-RTBURBONSA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001691106646 1248417407 /nfs/dbraw/zinc/41/74/07/1248417407.db2.gz YFMNTBKSEHMLEE-RTBURBONSA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(C)CC[N@@H+](CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C1CC1 ZINC001691225739 1248551881 /nfs/dbraw/zinc/55/18/81/1248551881.db2.gz NEHSMPSFURXXGV-LJQANCHMSA-N 2 1 339.499 2.746 10 30 EFEEMP C=C(C)CC[NH+](CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001691225739 1248551886 /nfs/dbraw/zinc/55/18/86/1248551886.db2.gz NEHSMPSFURXXGV-LJQANCHMSA-N 2 1 339.499 2.746 10 30 EFEEMP C=C(C)CC[NH+](CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001691225739 1248551894 /nfs/dbraw/zinc/55/18/94/1248551894.db2.gz NEHSMPSFURXXGV-LJQANCHMSA-N 2 1 339.499 2.746 10 30 EFEEMP C=CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001691276746 1248588383 /nfs/dbraw/zinc/58/83/83/1248588383.db2.gz CBVBYRVPCRAKNE-SFHVURJKSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001691305131 1248636665 /nfs/dbraw/zinc/63/66/65/1248636665.db2.gz JGOYGQFCACCKHD-SJLPKXTDSA-N 2 1 332.492 2.765 10 30 EFEEMP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001691594842 1251805915 /nfs/dbraw/zinc/80/59/15/1251805915.db2.gz DFWNWOUMXIYFSJ-YQVWRLOYSA-N 2 1 333.520 2.844 10 30 EFEEMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@H]2C1 ZINC001484415039 1252571252 /nfs/dbraw/zinc/57/12/52/1252571252.db2.gz LXPJZESAUWWTLS-KDURUIRLSA-N 2 1 333.520 2.609 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001484455026 1252627292 /nfs/dbraw/zinc/62/72/92/1252627292.db2.gz HVRZZXXESOHGHT-OTWHNJEPSA-N 2 1 333.520 2.891 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001484455026 1252627302 /nfs/dbraw/zinc/62/73/02/1252627302.db2.gz HVRZZXXESOHGHT-OTWHNJEPSA-N 2 1 333.520 2.891 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001484455026 1252627311 /nfs/dbraw/zinc/62/73/11/1252627311.db2.gz HVRZZXXESOHGHT-OTWHNJEPSA-N 2 1 333.520 2.891 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC/C=C/CC)CC2)CC1 ZINC001484727855 1252818076 /nfs/dbraw/zinc/81/80/76/1252818076.db2.gz HDFJXSGNGDZRBV-RRFGBZISSA-N 2 1 345.531 2.659 10 30 EFEEMP C=CCCC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001484759314 1252932332 /nfs/dbraw/zinc/93/23/32/1252932332.db2.gz YZNSDGMNJMENGO-KRWDZBQOSA-N 2 1 332.492 2.500 10 30 EFEEMP C=CCCC[N@H+](C)CCCN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001484759314 1252932342 /nfs/dbraw/zinc/93/23/42/1252932342.db2.gz YZNSDGMNJMENGO-KRWDZBQOSA-N 2 1 332.492 2.500 10 30 EFEEMP C=CC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001484772333 1252946884 /nfs/dbraw/zinc/94/68/84/1252946884.db2.gz QWPHNWMKRUBCMN-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001484772333 1252946905 /nfs/dbraw/zinc/94/69/05/1252946905.db2.gz QWPHNWMKRUBCMN-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001484772333 1252946923 /nfs/dbraw/zinc/94/69/23/1252946923.db2.gz QWPHNWMKRUBCMN-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001272786502 1258039946 /nfs/dbraw/zinc/03/99/46/1258039946.db2.gz QVYWOWDEJFZTNL-MISYRCLQSA-N 2 1 341.499 2.577 10 30 EFEEMP C#CCC[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC2)C1 ZINC001670919575 1258634316 /nfs/dbraw/zinc/63/43/16/1258634316.db2.gz WTSNWKMRWXHLQW-IBGZPJMESA-N 2 1 347.547 2.548 10 30 EFEEMP C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)CC(C)(C)C)CC2)C1 ZINC001670919575 1258634324 /nfs/dbraw/zinc/63/43/24/1258634324.db2.gz WTSNWKMRWXHLQW-IBGZPJMESA-N 2 1 347.547 2.548 10 30 EFEEMP C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)CC(C)(C)C)CC2)C1 ZINC001670919575 1258634333 /nfs/dbraw/zinc/63/43/33/1258634333.db2.gz WTSNWKMRWXHLQW-IBGZPJMESA-N 2 1 347.547 2.548 10 30 EFEEMP C=CC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001670923567 1258702029 /nfs/dbraw/zinc/70/20/29/1258702029.db2.gz NTOTYCOGHBFJHE-ROUUACIJSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001671044087 1259930162 /nfs/dbraw/zinc/93/01/62/1259930162.db2.gz BATAKSJXPVNYNR-QUCCMNQESA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001671044087 1259930169 /nfs/dbraw/zinc/93/01/69/1259930169.db2.gz BATAKSJXPVNYNR-QUCCMNQESA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001671044087 1259930175 /nfs/dbraw/zinc/93/01/75/1259930175.db2.gz BATAKSJXPVNYNR-QUCCMNQESA-N 2 1 335.536 2.997 10 30 EFEEMP Cc1cc(C#N)cc(C)c1C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000921685961 1260798232 /nfs/dbraw/zinc/79/82/32/1260798232.db2.gz CNNSVYLHENMLEZ-UHFFFAOYSA-N 2 1 328.504 2.538 10 30 EFEEMP C=CC[NH+]1CCC2(CN(C(=O)[C@H](c3ccccc3)[N@H+](C)CC)C2)CC1 ZINC001272826942 1261078789 /nfs/dbraw/zinc/07/87/89/1261078789.db2.gz YKYPRWURDTUSNE-IBGZPJMESA-N 2 1 341.499 2.790 10 30 EFEEMP C=CCCC[N@H+]1CCc2c(CNC(=O)C[NH+]3CCCC3)cccc2C1 ZINC001272916801 1261327796 /nfs/dbraw/zinc/32/77/96/1261327796.db2.gz HNEJASMCOMFZJH-UHFFFAOYSA-N 2 1 341.499 2.723 10 30 EFEEMP C=C(C)C[NH+]1CCc2c(CNC(=O)CC[N@H+](C)CC)cccc2C1 ZINC001272916843 1261327836 /nfs/dbraw/zinc/32/78/36/1261327836.db2.gz IUHFWJMIZQUKLI-UHFFFAOYSA-N 2 1 329.488 2.579 10 30 EFEEMP C=C(C)C[N@H+]1CCc2c(CNC(=O)CC[NH+](C)CC)cccc2C1 ZINC001272916843 1261327842 /nfs/dbraw/zinc/32/78/42/1261327842.db2.gz IUHFWJMIZQUKLI-UHFFFAOYSA-N 2 1 329.488 2.579 10 30 EFEEMP C=C(C)C[N@@H+]1CCc2c(CNC(=O)CC[NH+](C)CC)cccc2C1 ZINC001272916843 1261327844 /nfs/dbraw/zinc/32/78/44/1261327844.db2.gz IUHFWJMIZQUKLI-UHFFFAOYSA-N 2 1 329.488 2.579 10 30 EFEEMP C=CC[N@@H+]1CCc2c(CNC(=O)CC3CC[NH+](C)CC3)cccc2C1 ZINC001272916730 1261327879 /nfs/dbraw/zinc/32/78/79/1261327879.db2.gz HJKDTDUJFCZEAF-UHFFFAOYSA-N 2 1 341.499 2.579 10 30 EFEEMP C=CCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001671054915 1261402474 /nfs/dbraw/zinc/40/24/74/1261402474.db2.gz HBTMMYLHSCZJMZ-OALUTQOASA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923501783 1261799659 /nfs/dbraw/zinc/79/96/59/1261799659.db2.gz VLSOWTSUDRAANB-HUUCEWRRSA-N 2 1 333.501 2.820 10 30 EFEEMP C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923501783 1261799662 /nfs/dbraw/zinc/79/96/62/1261799662.db2.gz VLSOWTSUDRAANB-HUUCEWRRSA-N 2 1 333.501 2.820 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC001486097086 1262620652 /nfs/dbraw/zinc/62/06/52/1262620652.db2.gz TYUDTYKDUAANBI-PKOBYXMFSA-N 2 1 329.488 2.664 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC001486097086 1262620659 /nfs/dbraw/zinc/62/06/59/1262620659.db2.gz TYUDTYKDUAANBI-PKOBYXMFSA-N 2 1 329.488 2.664 10 30 EFEEMP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]21 ZINC001486165570 1262727570 /nfs/dbraw/zinc/72/75/70/1262727570.db2.gz GXGKDGBNLYPAGD-CEXWTWQISA-N 2 1 344.503 2.765 10 30 EFEEMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001486247649 1262851767 /nfs/dbraw/zinc/85/17/67/1262851767.db2.gz JGLNCEWNKCAKIV-ZWKOTPCHSA-N 2 1 335.536 2.901 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCCCCC)C(C)(C)C1 ZINC001486235528 1262871406 /nfs/dbraw/zinc/87/14/06/1262871406.db2.gz YDTZBBRMMMRYNW-RBUKOAKNSA-N 2 1 347.547 2.881 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCCCCC)C(C)(C)C1 ZINC001486235528 1262871411 /nfs/dbraw/zinc/87/14/11/1262871411.db2.gz YDTZBBRMMMRYNW-RBUKOAKNSA-N 2 1 347.547 2.881 10 30 EFEEMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001486438607 1263124351 /nfs/dbraw/zinc/12/43/51/1263124351.db2.gz RBKHZBIPMKGNTO-QGZVFWFLSA-N 2 1 347.547 2.879 10 30 EFEEMP C=CCCCCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001486451017 1263143981 /nfs/dbraw/zinc/14/39/81/1263143981.db2.gz SLLGLIAXIHDYOF-PKOBYXMFSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001272993997 1264909286 /nfs/dbraw/zinc/90/92/86/1264909286.db2.gz UCCMNPQJRFWRAH-QZTJIDSGSA-N 2 1 344.503 2.691 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001691670363 1266678054 /nfs/dbraw/zinc/67/80/54/1266678054.db2.gz MHAFVRASQRQDEF-HKUYNNGSSA-N 2 1 335.536 2.994 10 30 EFEEMP C=C(C[NH+](C)C)C(=O)N(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001136362178 1277269020 /nfs/dbraw/zinc/26/90/20/1277269020.db2.gz SBJXOHIQZYQMJW-PKOBYXMFSA-N 2 1 329.488 2.788 10 30 EFEEMP C=CCCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001671075640 1279087143 /nfs/dbraw/zinc/08/71/43/1279087143.db2.gz VZKPOHKCYMGBGZ-ICSRJNTNSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001671075640 1279087148 /nfs/dbraw/zinc/08/71/48/1279087148.db2.gz VZKPOHKCYMGBGZ-ICSRJNTNSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001671075640 1279087157 /nfs/dbraw/zinc/08/71/57/1279087157.db2.gz VZKPOHKCYMGBGZ-ICSRJNTNSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001671075639 1279087688 /nfs/dbraw/zinc/08/76/88/1279087688.db2.gz VZKPOHKCYMGBGZ-AZUAARDMSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001671075639 1279087694 /nfs/dbraw/zinc/08/76/94/1279087694.db2.gz VZKPOHKCYMGBGZ-AZUAARDMSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001671075639 1279087699 /nfs/dbraw/zinc/08/76/99/1279087699.db2.gz VZKPOHKCYMGBGZ-AZUAARDMSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCn1cc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)nn1 ZINC000872156101 1287451992 /nfs/dbraw/zinc/45/19/92/1287451992.db2.gz DTVSAXCVJPABSO-VQIMIIECSA-N 2 1 331.508 2.974 10 30 EFEEMP C=CCCn1cc(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)nn1 ZINC000872156101 1287451997 /nfs/dbraw/zinc/45/19/97/1287451997.db2.gz DTVSAXCVJPABSO-VQIMIIECSA-N 2 1 331.508 2.974 10 30 EFEEMP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000903460404 1312715163 /nfs/dbraw/zinc/71/51/63/1312715163.db2.gz ATEIIECNBZVQJF-CMKODMSKSA-N 2 1 327.472 2.893 10 30 EFEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000876739840 1290999290 /nfs/dbraw/zinc/99/92/90/1290999290.db2.gz JIGAJIDNENJODE-OAGGEKHMSA-N 2 1 327.900 2.569 10 30 EFEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000876764055 1291010744 /nfs/dbraw/zinc/01/07/44/1291010744.db2.gz NFWYPQQVHFUJGU-HQSKLWIPSA-N 2 1 347.890 2.768 10 30 EFEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000876891906 1291060143 /nfs/dbraw/zinc/06/01/43/1291060143.db2.gz FPROVSAMISUJJR-KKUMJFAQSA-N 2 1 342.270 2.671 10 30 EFEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000876891906 1291060150 /nfs/dbraw/zinc/06/01/50/1291060150.db2.gz FPROVSAMISUJJR-KKUMJFAQSA-N 2 1 342.270 2.671 10 30 EFEEMP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001273610038 1292357283 /nfs/dbraw/zinc/35/72/83/1292357283.db2.gz HZDGWBOREKQTMU-SFHVURJKSA-N 2 1 327.488 2.603 10 30 EFEEMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001276333056 1292836006 /nfs/dbraw/zinc/83/60/06/1292836006.db2.gz DAPIEBYYQHTEAW-WOJBJXKFSA-N 2 1 347.547 2.881 10 30 EFEEMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001276334636 1292839429 /nfs/dbraw/zinc/83/94/29/1292839429.db2.gz RJHXOMDELDGINB-WOJBJXKFSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001276334636 1292839442 /nfs/dbraw/zinc/83/94/42/1292839442.db2.gz RJHXOMDELDGINB-WOJBJXKFSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CCN1CCC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000886209383 1294766519 /nfs/dbraw/zinc/76/65/19/1294766519.db2.gz LDYRLVXGLNFJIK-SFTDATJTSA-N 2 1 337.511 2.871 10 30 EFEEMP C#CCN1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000886209383 1294766525 /nfs/dbraw/zinc/76/65/25/1294766525.db2.gz LDYRLVXGLNFJIK-SFTDATJTSA-N 2 1 337.511 2.871 10 30 EFEEMP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001276448065 1313101026 /nfs/dbraw/zinc/10/10/26/1313101026.db2.gz UTBUVZYIEVBLJL-QFBILLFUSA-N 2 1 329.488 2.692 10 30 EFEEMP C#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001273757213 1294832225 /nfs/dbraw/zinc/83/22/25/1294832225.db2.gz VKECYBLIZKJJJB-SFHVURJKSA-N 2 1 345.531 2.635 10 30 EFEEMP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CCCCC)C2)C1 ZINC001273839618 1296280386 /nfs/dbraw/zinc/28/03/86/1296280386.db2.gz ASKJBNXABWGMHI-FPOVZHCZSA-N 2 1 345.531 2.589 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CCCCC)C2)C1 ZINC001273839618 1296280392 /nfs/dbraw/zinc/28/03/92/1296280392.db2.gz ASKJBNXABWGMHI-FPOVZHCZSA-N 2 1 345.531 2.589 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CCCCC)C2)C1 ZINC001273839618 1296280405 /nfs/dbraw/zinc/28/04/05/1296280405.db2.gz ASKJBNXABWGMHI-FPOVZHCZSA-N 2 1 345.531 2.589 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](CCCCC)C2)C1 ZINC001273839618 1296280416 /nfs/dbraw/zinc/28/04/16/1296280416.db2.gz ASKJBNXABWGMHI-FPOVZHCZSA-N 2 1 345.531 2.589 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](CCCCC)C2)C1 ZINC001273839618 1296280428 /nfs/dbraw/zinc/28/04/28/1296280428.db2.gz ASKJBNXABWGMHI-FPOVZHCZSA-N 2 1 345.531 2.589 10 30 EFEEMP C#CCN1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CCCCC)C2)C1 ZINC001273839619 1296280853 /nfs/dbraw/zinc/28/08/53/1296280853.db2.gz ASKJBNXABWGMHI-PZJWPPBQSA-N 2 1 345.531 2.589 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CCCCC)C2)C1 ZINC001273839619 1296280859 /nfs/dbraw/zinc/28/08/59/1296280859.db2.gz ASKJBNXABWGMHI-PZJWPPBQSA-N 2 1 345.531 2.589 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CCCCC)C2)C1 ZINC001273839619 1296280872 /nfs/dbraw/zinc/28/08/72/1296280872.db2.gz ASKJBNXABWGMHI-PZJWPPBQSA-N 2 1 345.531 2.589 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CCCCC)C2)C1 ZINC001273839619 1296280881 /nfs/dbraw/zinc/28/08/81/1296280881.db2.gz ASKJBNXABWGMHI-PZJWPPBQSA-N 2 1 345.531 2.589 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CCCCC)C2)C1 ZINC001273839619 1296280888 /nfs/dbraw/zinc/28/08/88/1296280888.db2.gz ASKJBNXABWGMHI-PZJWPPBQSA-N 2 1 345.531 2.589 10 30 EFEEMP CC#CC[NH2+]C1CCC(N(C)C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001275601945 1296319132 /nfs/dbraw/zinc/31/91/32/1296319132.db2.gz OWHFZTIMJWQLDW-AOCRQIFASA-N 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HJDVASOCXWYHOF-MOPGFXCFSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCCCCC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001490776282 1299239722 /nfs/dbraw/zinc/23/97/22/1299239722.db2.gz HJDVASOCXWYHOF-MOPGFXCFSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCCCCC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001490776282 1299239727 /nfs/dbraw/zinc/23/97/27/1299239727.db2.gz HJDVASOCXWYHOF-MOPGFXCFSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[NH+]1C ZINC001490793696 1299262649 /nfs/dbraw/zinc/26/26/49/1299262649.db2.gz JVLNQQAFGYTHIC-ZSYWTGECSA-N 2 1 333.520 2.891 10 30 EFEEMP C=CCC[C@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001490793696 1299262654 /nfs/dbraw/zinc/26/26/54/1299262654.db2.gz JVLNQQAFGYTHIC-ZSYWTGECSA-N 2 1 333.520 2.891 10 30 EFEEMP C=CCC[C@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001490793696 1299262660 /nfs/dbraw/zinc/26/26/60/1299262660.db2.gz JVLNQQAFGYTHIC-ZSYWTGECSA-N 2 1 333.520 2.891 10 30 EFEEMP C#CCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C1CC[NH+](CCCCC)CC1 ZINC001278157877 1313725091 /nfs/dbraw/zinc/72/50/91/1313725091.db2.gz XAWDWBXULPNUNS-IBGZPJMESA-N 2 1 347.547 2.977 10 30 EFEEMP C#CCN(C(=O)C[N@H+](C)C(C)C)C1CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001278200239 1313780825 /nfs/dbraw/zinc/78/08/25/1313780825.db2.gz APBOGWZMYWSQLK-SFHVURJKSA-N 2 1 333.520 2.608 10 30 EFEEMP C=CC[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1C)c1ccc2ccccc2c1 ZINC001278205560 1313786535 /nfs/dbraw/zinc/78/65/35/1313786535.db2.gz BCDANECQRVCMKZ-FQEVSTJZSA-N 2 1 348.450 2.978 10 30 EFEEMP CN(C)c1ccc(C#N)cc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000865635066 1303343744 /nfs/dbraw/zinc/34/37/44/1303343744.db2.gz KEOJOPMEWKRFQL-SFHVURJKSA-N 2 1 326.488 2.836 10 30 EFEEMP CN(C)c1ccc(C#N)cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000865635066 1303343752 /nfs/dbraw/zinc/34/37/52/1303343752.db2.gz KEOJOPMEWKRFQL-SFHVURJKSA-N 2 1 326.488 2.836 10 30 EFEEMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001490805075 1303956755 /nfs/dbraw/zinc/95/67/55/1303956755.db2.gz CREXLKRHIXQRSQ-BGYRXZFFSA-N 2 1 345.531 2.750 10 30 EFEEMP Cc1ccc(NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)c(C[NH+](C)C)c1 ZINC000867958389 1304045361 /nfs/dbraw/zinc/04/53/61/1304045361.db2.gz QDKQAEGGQAOSKE-FQEVSTJZSA-N 2 1 348.450 2.754 10 30 EFEEMP CC1(C)[C@@H]([NH3+])c2ccccc2N1C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867988160 1304061595 /nfs/dbraw/zinc/06/15/95/1304061595.db2.gz VBKSNGPKDLMEFJ-OALUTQOASA-N 2 1 346.434 2.570 10 30 EFEEMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001276624616 1314117269 /nfs/dbraw/zinc/11/72/69/1314117269.db2.gz KYOKDQJONVPHEY-QZTJIDSGSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCCn1cc[nH+]c1C)C2 ZINC001278336908 1314155109 /nfs/dbraw/zinc/15/51/09/1314155109.db2.gz VOAQUMDIUHAURK-HXUWFJFHSA-N 2 1 344.503 2.862 10 30 EFEEMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCCn1cc[nH+]c1C)C2 ZINC001278336908 1314155112 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FHQROGDVKCBMPI-SLFFLAALSA-N 2 1 347.547 2.739 10 30 EFEEMP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)CCCCCC)C[C@H]2C1 ZINC001276838998 1311185336 /nfs/dbraw/zinc/18/53/36/1311185336.db2.gz FHQROGDVKCBMPI-SLFFLAALSA-N 2 1 347.547 2.739 10 30 EFEEMP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)CCCCCC)C[C@H]2C1 ZINC001276838998 1311185339 /nfs/dbraw/zinc/18/53/39/1311185339.db2.gz FHQROGDVKCBMPI-SLFFLAALSA-N 2 1 347.547 2.739 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001276923165 1311307719 /nfs/dbraw/zinc/30/77/19/1311307719.db2.gz GVPCPSPDRKPPQC-QZTJIDSGSA-N 2 1 344.503 2.691 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001276923165 1311307722 /nfs/dbraw/zinc/30/77/22/1311307722.db2.gz GVPCPSPDRKPPQC-QZTJIDSGSA-N 2 1 344.503 2.691 10 30 EFEEMP C=C(C)C[NH2+][C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)Cc1ccccc1 ZINC001284149787 1320237527 /nfs/dbraw/zinc/23/75/27/1320237527.db2.gz YLBJEKDWELWMAB-PMACEKPBSA-N 2 1 343.515 2.754 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1CC2(CCC2)C1 ZINC001277209447 1311806641 /nfs/dbraw/zinc/80/66/41/1311806641.db2.gz FQKJDSFBEYYKIK-HKUYNNGSSA-N 2 1 345.531 2.539 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1CC2(CCC2)C1 ZINC001277209447 1311806644 /nfs/dbraw/zinc/80/66/44/1311806644.db2.gz FQKJDSFBEYYKIK-HKUYNNGSSA-N 2 1 345.531 2.539 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001277274503 1311905216 /nfs/dbraw/zinc/90/52/16/1311905216.db2.gz MHYUIIWEAZLJGV-HXUWFJFHSA-N 2 1 347.547 2.855 10 30 EFEEMP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001277279886 1311915154 /nfs/dbraw/zinc/91/51/54/1311915154.db2.gz KEPNOLCKTCAULR-PKOBYXMFSA-N 2 1 333.520 2.681 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001277285835 1311919917 /nfs/dbraw/zinc/91/99/17/1311919917.db2.gz QYIXRDOFGYDOPM-RBUKOAKNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001277286029 1311931346 /nfs/dbraw/zinc/93/13/46/1311931346.db2.gz UBKJNTQWPLCYLK-FQEVSTJZSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCC[N@@H+](CCNC(=O)Cn1c[nH+]cc1C)C1CCCCCC1 ZINC001277376337 1312078490 /nfs/dbraw/zinc/07/84/90/1312078490.db2.gz VAVQHCSOOFGIGX-UHFFFAOYSA-N 2 1 332.492 2.909 10 30 EFEEMP C=CCC[N@H+](CCNC(=O)Cn1c[nH+]cc1C)C1CCCCCC1 ZINC001277376337 1312078494 /nfs/dbraw/zinc/07/84/94/1312078494.db2.gz VAVQHCSOOFGIGX-UHFFFAOYSA-N 2 1 332.492 2.909 10 30 EFEEMP CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2cc(C#N)ccn2)[C@@H](C)C1 ZINC000902806033 1312122361 /nfs/dbraw/zinc/12/23/61/1312122361.db2.gz HZXOSTKFGZTQAL-JZXOWHBKSA-N 2 1 330.476 2.741 10 30 EFEEMP C=CCC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@@]1(C)CCCCO1 ZINC000902981609 1312259166 /nfs/dbraw/zinc/25/91/66/1312259166.db2.gz PSVOXDNPAQHPHO-UYAOXDASSA-N 2 1 337.552 2.896 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCC[C@@]2(CCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001277473206 1312398950 /nfs/dbraw/zinc/39/89/50/1312398950.db2.gz BDUZLTOIWWAGJM-AZUAARDMSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001277473206 1312398954 /nfs/dbraw/zinc/39/89/54/1312398954.db2.gz BDUZLTOIWWAGJM-AZUAARDMSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001277473206 1312398957 /nfs/dbraw/zinc/39/89/57/1312398957.db2.gz BDUZLTOIWWAGJM-AZUAARDMSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001277515994 1312505596 /nfs/dbraw/zinc/50/55/96/1312505596.db2.gz DWLMGWCKGJTFST-PXNSSMCTSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCCCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001276707171 1314632760 /nfs/dbraw/zinc/63/27/60/1314632760.db2.gz BVFZYBLYSLJEBD-VYJAJWGXSA-N 2 1 347.547 2.757 10 30 EFEEMP C=CCCCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001276707171 1314632764 /nfs/dbraw/zinc/63/27/64/1314632764.db2.gz BVFZYBLYSLJEBD-VYJAJWGXSA-N 2 1 347.547 2.757 10 30 EFEEMP C=CCCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001276707171 1314632767 /nfs/dbraw/zinc/63/27/67/1314632767.db2.gz BVFZYBLYSLJEBD-VYJAJWGXSA-N 2 1 347.547 2.757 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](C[C@@H](C)CC(C)C)C2)CC1 ZINC001278449768 1314633183 /nfs/dbraw/zinc/63/31/83/1314633183.db2.gz ILOMXLQGNXQSPL-RXVVDRJESA-N 2 1 347.547 2.594 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](C[C@@H](C)CC(C)C)C2)CC1 ZINC001278449766 1314633267 /nfs/dbraw/zinc/63/32/67/1314633267.db2.gz ILOMXLQGNXQSPL-GHTZIAJQSA-N 2 1 347.547 2.594 10 30 EFEEMP C=CCCC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001278453111 1314648295 /nfs/dbraw/zinc/64/82/95/1314648295.db2.gz RFWBGQYQCDMKFP-QWFCFKBJSA-N 2 1 333.520 2.939 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001278453111 1314648300 /nfs/dbraw/zinc/64/83/00/1314648300.db2.gz RFWBGQYQCDMKFP-QWFCFKBJSA-N 2 1 333.520 2.939 10 30 EFEEMP C=CCCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001278453111 1314648303 /nfs/dbraw/zinc/64/83/03/1314648303.db2.gz RFWBGQYQCDMKFP-QWFCFKBJSA-N 2 1 333.520 2.939 10 30 EFEEMP C=CCC[N@@H+]1CC[C@@]2(NC(=O)CCCn3cc[nH+]c3C)CCC[C@@H]12 ZINC001278467061 1314687330 /nfs/dbraw/zinc/68/73/30/1314687330.db2.gz MYGRICIFJTVMJP-MJGOQNOKSA-N 2 1 330.476 2.661 10 30 EFEEMP C=CCC[N@H+]1CC[C@@]2(NC(=O)CCCn3cc[nH+]c3C)CCC[C@@H]12 ZINC001278467061 1314687334 /nfs/dbraw/zinc/68/73/34/1314687334.db2.gz MYGRICIFJTVMJP-MJGOQNOKSA-N 2 1 330.476 2.661 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1CC ZINC001276739043 1314943340 /nfs/dbraw/zinc/94/33/40/1314943340.db2.gz JNNGSYLAYPAPEV-RDJZCZTQSA-N 2 1 348.491 2.533 10 30 EFEEMP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001263760305 1316559965 /nfs/dbraw/zinc/55/99/65/1316559965.db2.gz NTVHQDDMIOISOH-GUDVDZBRSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001263760305 1316559967 /nfs/dbraw/zinc/55/99/67/1316559967.db2.gz NTVHQDDMIOISOH-GUDVDZBRSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001263760305 1316559969 /nfs/dbraw/zinc/55/99/69/1316559969.db2.gz NTVHQDDMIOISOH-GUDVDZBRSA-N 2 1 333.520 2.607 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001263863745 1316570300 /nfs/dbraw/zinc/57/03/00/1316570300.db2.gz CISQIVFTTOQFMM-LNLFQRSKSA-N 2 1 333.520 2.844 10 30 EFEEMP CC#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001264185425 1316597318 /nfs/dbraw/zinc/59/73/18/1316597318.db2.gz AFBOMYNSGNEXRK-OALUTQOASA-N 2 1 333.520 2.587 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)[C@@H]21 ZINC001264586493 1316636052 /nfs/dbraw/zinc/63/60/52/1316636052.db2.gz QHSRPEVKMJXHOB-BHIYHBOVSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001265199203 1316750493 /nfs/dbraw/zinc/75/04/93/1316750493.db2.gz QVTXCJPTGGCITH-MOPGFXCFSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCC[NH+]1CCC(N(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001265200828 1316751176 /nfs/dbraw/zinc/75/11/76/1316751176.db2.gz ABKCCOXOHPABPU-IBGZPJMESA-N 2 1 329.488 2.788 10 30 EFEEMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001265329380 1316783508 /nfs/dbraw/zinc/78/35/08/1316783508.db2.gz FEZBXZGYODKBSP-QGZVFWFLSA-N 2 1 333.520 2.796 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001265502934 1316814162 /nfs/dbraw/zinc/81/41/62/1316814162.db2.gz CVTAKLYJNTWFIB-GUDVDZBRSA-N 2 1 329.488 2.882 10 30 EFEEMP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001265692118 1316855628 /nfs/dbraw/zinc/85/56/28/1316855628.db2.gz YOASSUBWHBGPPG-RTBURBONSA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001265697096 1316857611 /nfs/dbraw/zinc/85/76/11/1316857611.db2.gz OCOSTDIRPJXXKC-ROUUACIJSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001265727164 1316867410 /nfs/dbraw/zinc/86/74/10/1316867410.db2.gz RMZMMDAUSBBXQH-QTMHVTGLSA-N 2 1 333.520 2.508 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC001265786590 1316876916 /nfs/dbraw/zinc/87/69/16/1316876916.db2.gz QCFORLGHNAWLHU-PXNSSMCTSA-N 2 1 341.499 2.502 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC001265786590 1316876918 /nfs/dbraw/zinc/87/69/18/1316876918.db2.gz QCFORLGHNAWLHU-PXNSSMCTSA-N 2 1 341.499 2.502 10 30 EFEEMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001265905136 1316908704 /nfs/dbraw/zinc/90/87/04/1316908704.db2.gz ABRDAIOQQINYRT-MSOLQXFVSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCC[C@H](C)[N@H+](C)CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001265911829 1316910682 /nfs/dbraw/zinc/91/06/82/1316910682.db2.gz HCRHFWRDSXDMCX-DOTOQJQBSA-N 2 1 332.492 2.547 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001265911829 1316910685 /nfs/dbraw/zinc/91/06/85/1316910685.db2.gz HCRHFWRDSXDMCX-DOTOQJQBSA-N 2 1 332.492 2.547 10 30 EFEEMP CC#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001266009997 1316950205 /nfs/dbraw/zinc/95/02/05/1316950205.db2.gz CDNTXEHBHHEOFS-QUCCMNQESA-N 2 1 341.499 2.501 10 30 EFEEMP CC#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001266009997 1316950208 /nfs/dbraw/zinc/95/02/08/1316950208.db2.gz CDNTXEHBHHEOFS-QUCCMNQESA-N 2 1 341.499 2.501 10 30 EFEEMP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001266110104 1317050398 /nfs/dbraw/zinc/05/03/98/1317050398.db2.gz ANRWPGIVRFKFMD-VQIMIIECSA-N 2 1 339.499 2.698 10 30 EFEEMP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001266110104 1317050405 /nfs/dbraw/zinc/05/04/05/1317050405.db2.gz ANRWPGIVRFKFMD-VQIMIIECSA-N 2 1 339.499 2.698 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@H+](C)[C@H](C)CCC=C)C2)CC1 ZINC001266119271 1317066974 /nfs/dbraw/zinc/06/69/74/1317066974.db2.gz AYFVVCZVODWQMD-UYAOXDASSA-N 2 1 345.531 2.609 10 30 EFEEMP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001266219942 1317159602 /nfs/dbraw/zinc/15/96/02/1317159602.db2.gz LHMNUNCUMYPDHZ-AZUAARDMSA-N 2 1 345.531 2.778 10 30 EFEEMP CC#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001266219942 1317159606 /nfs/dbraw/zinc/15/96/06/1317159606.db2.gz LHMNUNCUMYPDHZ-AZUAARDMSA-N 2 1 345.531 2.778 10 30 EFEEMP CC#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001266219942 1317159609 /nfs/dbraw/zinc/15/96/09/1317159609.db2.gz LHMNUNCUMYPDHZ-AZUAARDMSA-N 2 1 345.531 2.778 10 30 EFEEMP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001266219945 1317160569 /nfs/dbraw/zinc/16/05/69/1317160569.db2.gz LHMNUNCUMYPDHZ-UYAOXDASSA-N 2 1 345.531 2.778 10 30 EFEEMP CC#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001266219945 1317160573 /nfs/dbraw/zinc/16/05/73/1317160573.db2.gz LHMNUNCUMYPDHZ-UYAOXDASSA-N 2 1 345.531 2.778 10 30 EFEEMP CC#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001266219945 1317160576 /nfs/dbraw/zinc/16/05/76/1317160576.db2.gz LHMNUNCUMYPDHZ-UYAOXDASSA-N 2 1 345.531 2.778 10 30 EFEEMP C=C(C)CC[N@H+]1CCC[C@H]1CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001266223521 1317166349 /nfs/dbraw/zinc/16/63/49/1317166349.db2.gz RUDPXNPEJBQIDE-GOSISDBHSA-N 2 1 333.520 2.942 10 30 EFEEMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+]1CCCCC1)C2 ZINC001279236040 1317215461 /nfs/dbraw/zinc/21/54/61/1317215461.db2.gz CNBAACHZLUNHKN-REPLKXPHSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001279263040 1317221154 /nfs/dbraw/zinc/22/11/54/1317221154.db2.gz XUQNLOKOUVISLF-GUDVDZBRSA-N 2 1 335.536 2.949 10 30 EFEEMP C=C(C)C[NH2+]C[C@@]1(NC(=O)c2cc(C[NH+](C)C)on2)CCCC[C@H]1C ZINC001318745004 1328684540 /nfs/dbraw/zinc/68/45/40/1328684540.db2.gz LNEFDYSKSSTZTC-BEFAXECRSA-N 2 1 348.491 2.581 10 30 EFEEMP C=C(C)CC[NH+]1CCC(C2(NC(=O)C[N@H+](C)C3CCC3)CC2)CC1 ZINC001279360458 1317244985 /nfs/dbraw/zinc/24/49/85/1317244985.db2.gz OKTIXPSDSBIWCB-UHFFFAOYSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCC[NH+]1CCC(C2(NC(=O)C[N@H+](C)CC(C)(C)C)CC2)CC1 ZINC001279367825 1317247598 /nfs/dbraw/zinc/24/75/98/1317247598.db2.gz ASPXIYFGPOQEDX-UHFFFAOYSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]2C1 ZINC001279395557 1317255823 /nfs/dbraw/zinc/25/58/23/1317255823.db2.gz LHVOVVFKLCSEEA-CEXWTWQISA-N 2 1 335.536 2.709 10 30 EFEEMP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001280307501 1317503203 /nfs/dbraw/zinc/50/32/03/1317503203.db2.gz LTIIZOKNICPVOG-PKOBYXMFSA-N 2 1 329.488 2.694 10 30 EFEEMP C=CC[N@H+](C)Cc1ccccc1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001280325691 1317508185 /nfs/dbraw/zinc/50/81/85/1317508185.db2.gz YYZUUKYWVMANBI-UHFFFAOYSA-N 2 1 341.499 2.797 10 30 EFEEMP CCCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001280394797 1317541195 /nfs/dbraw/zinc/54/11/95/1317541195.db2.gz ZDADIBSQDHCXSZ-GOSISDBHSA-N 2 1 335.536 2.833 10 30 EFEEMP C=CCC[NH+]1CCc2c(CNC(=O)C[C@@H]3CC[N@H+](C)C3)cccc2C1 ZINC001280427075 1317555686 /nfs/dbraw/zinc/55/56/86/1317555686.db2.gz QREHRYUMPXTYGN-KRWDZBQOSA-N 2 1 341.499 2.579 10 30 EFEEMP C=CCC[N@H+]1CCc2c(CNC(=O)C[C@@H]3CC[NH+](C)C3)cccc2C1 ZINC001280427075 1317555690 /nfs/dbraw/zinc/55/56/90/1317555690.db2.gz QREHRYUMPXTYGN-KRWDZBQOSA-N 2 1 341.499 2.579 10 30 EFEEMP C=CCC[N@@H+]1CCc2c(CNC(=O)C[C@@H]3CC[NH+](C)C3)cccc2C1 ZINC001280427075 1317555692 /nfs/dbraw/zinc/55/56/92/1317555692.db2.gz QREHRYUMPXTYGN-KRWDZBQOSA-N 2 1 341.499 2.579 10 30 EFEEMP C=CCC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)CCC)C1 ZINC001280889105 1317880147 /nfs/dbraw/zinc/88/01/47/1317880147.db2.gz JVWJASNBTZRLBS-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001281030813 1317981663 /nfs/dbraw/zinc/98/16/63/1317981663.db2.gz AUQARZOMJIJMTN-ROUUACIJSA-N 2 1 333.520 2.940 10 30 EFEEMP C=C(C)C[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001281030812 1317981750 /nfs/dbraw/zinc/98/17/50/1317981750.db2.gz AUQARZOMJIJMTN-QZTJIDSGSA-N 2 1 333.520 2.940 10 30 EFEEMP C=C(C)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001281037342 1317986398 /nfs/dbraw/zinc/98/63/98/1317986398.db2.gz RWFHJHBSQGHGMR-QGZVFWFLSA-N 2 1 344.503 2.691 10 30 EFEEMP C=CCC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001318908874 1328738905 /nfs/dbraw/zinc/73/89/05/1328738905.db2.gz WLCAJPTXEHVAOP-IBGZPJMESA-N 2 1 335.536 2.903 10 30 EFEEMP C=C(C)CC[N@@H+]1Cc2ccc(CNC(=O)Cn3cc[nH+]c3C)cc2C1 ZINC001281304797 1318162118 /nfs/dbraw/zinc/16/21/18/1318162118.db2.gz CVWRBISSXFUQMY-UHFFFAOYSA-N 2 1 338.455 2.790 10 30 EFEEMP C=C(C)CC[N@H+]1Cc2ccc(CNC(=O)Cn3cc[nH+]c3C)cc2C1 ZINC001281304797 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KUWQQVNNXYSQNZ-HKUYNNGSSA-N 2 1 329.488 2.664 10 30 EFEEMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001281682600 1318542959 /nfs/dbraw/zinc/54/29/59/1318542959.db2.gz KUWQQVNNXYSQNZ-HKUYNNGSSA-N 2 1 329.488 2.664 10 30 EFEEMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001281682600 1318542970 /nfs/dbraw/zinc/54/29/70/1318542970.db2.gz KUWQQVNNXYSQNZ-HKUYNNGSSA-N 2 1 329.488 2.664 10 30 EFEEMP C=CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001281839695 1318599660 /nfs/dbraw/zinc/59/96/60/1318599660.db2.gz BQYQWOKQXODCRT-OALUTQOASA-N 2 1 333.520 2.750 10 30 EFEEMP C=CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001281839695 1318599672 /nfs/dbraw/zinc/59/96/72/1318599672.db2.gz BQYQWOKQXODCRT-OALUTQOASA-N 2 1 333.520 2.750 10 30 EFEEMP C=CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001281839695 1318599679 /nfs/dbraw/zinc/59/96/79/1318599679.db2.gz BQYQWOKQXODCRT-OALUTQOASA-N 2 1 333.520 2.750 10 30 EFEEMP 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1325517826 /nfs/dbraw/zinc/51/78/26/1325517826.db2.gz XADBURRZHUKYMT-IBGZPJMESA-N 2 1 335.536 2.999 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001317099695 1325563449 /nfs/dbraw/zinc/56/34/49/1325563449.db2.gz INVRRMNQXHCGBY-RBUKOAKNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001317099695 1325563456 /nfs/dbraw/zinc/56/34/56/1325563456.db2.gz INVRRMNQXHCGBY-RBUKOAKNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001317099695 1325563462 /nfs/dbraw/zinc/56/34/62/1325563462.db2.gz INVRRMNQXHCGBY-RBUKOAKNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001317099693 1325564013 /nfs/dbraw/zinc/56/40/13/1325564013.db2.gz INVRRMNQXHCGBY-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001317099693 1325563999 /nfs/dbraw/zinc/56/39/99/1325563999.db2.gz INVRRMNQXHCGBY-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001317099693 1325564007 /nfs/dbraw/zinc/56/40/07/1325564007.db2.gz INVRRMNQXHCGBY-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001317104366 1325572445 /nfs/dbraw/zinc/57/24/45/1325572445.db2.gz JAMYDBFUMGAGFD-RBUKOAKNSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCn2cc[nH+]c2C)C1 ZINC001317104409 1325573410 /nfs/dbraw/zinc/57/34/10/1325573410.db2.gz JFTSIUXAOQMJDE-MOPGFXCFSA-N 2 1 344.503 2.861 10 30 EFEEMP C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCn2cc[nH+]c2C)C1 ZINC001317104409 1325573414 /nfs/dbraw/zinc/57/34/14/1325573414.db2.gz JFTSIUXAOQMJDE-MOPGFXCFSA-N 2 1 344.503 2.861 10 30 EFEEMP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001317144142 1327638055 /nfs/dbraw/zinc/63/80/55/1327638055.db2.gz QQUFTSJGDBHIQZ-HKUYNNGSSA-N 2 1 329.488 2.694 10 30 EFEEMP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001317144142 1327638057 /nfs/dbraw/zinc/63/80/57/1327638057.db2.gz QQUFTSJGDBHIQZ-HKUYNNGSSA-N 2 1 329.488 2.694 10 30 EFEEMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001317144142 1327638061 /nfs/dbraw/zinc/63/80/61/1327638061.db2.gz QQUFTSJGDBHIQZ-HKUYNNGSSA-N 2 1 329.488 2.694 10 30 EFEEMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001317171419 1327675047 /nfs/dbraw/zinc/67/50/47/1327675047.db2.gz ATJSICXLYAPYNN-SJORKVTESA-N 2 1 332.492 2.943 10 30 EFEEMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001317171419 1327675056 /nfs/dbraw/zinc/67/50/56/1327675056.db2.gz ATJSICXLYAPYNN-SJORKVTESA-N 2 1 332.492 2.943 10 30 EFEEMP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001317191625 1327711309 /nfs/dbraw/zinc/71/13/09/1327711309.db2.gz IPHSGXBGLGJEHM-VQIMIIECSA-N 2 1 339.499 2.746 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001317208789 1327745517 /nfs/dbraw/zinc/74/55/17/1327745517.db2.gz NRXJRARBAWKXHH-VQTJNVASSA-N 2 1 345.531 2.731 10 30 EFEEMP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001317672055 1328266648 /nfs/dbraw/zinc/26/66/48/1328266648.db2.gz QLTSZFVPRRXWAH-YTQUADARSA-N 2 1 335.536 2.900 10 30 EFEEMP C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001317757982 1328356329 /nfs/dbraw/zinc/35/63/29/1328356329.db2.gz BQBADHIWUPZNCL-UYAOXDASSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001317757982 1328356335 /nfs/dbraw/zinc/35/63/35/1328356335.db2.gz BQBADHIWUPZNCL-UYAOXDASSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001317757982 1328356344 /nfs/dbraw/zinc/35/63/44/1328356344.db2.gz BQBADHIWUPZNCL-UYAOXDASSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001317757982 1328356354 /nfs/dbraw/zinc/35/63/54/1328356354.db2.gz BQBADHIWUPZNCL-UYAOXDASSA-N 2 1 345.531 2.587 10 30 EFEEMP CC#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001317761833 1328358779 /nfs/dbraw/zinc/35/87/79/1328358779.db2.gz QBSKIIUITPMWDV-GOSISDBHSA-N 2 1 338.455 2.593 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@H+](C)CCCCCC)C2)CC1 ZINC001317864859 1328426652 /nfs/dbraw/zinc/42/66/52/1328426652.db2.gz YDELZTCBUKUUCC-IBGZPJMESA-N 2 1 347.547 2.692 10 30 EFEEMP C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001317875197 1328432344 /nfs/dbraw/zinc/43/23/44/1328432344.db2.gz CPFLEDCLXYYZBQ-GOSISDBHSA-N 2 1 344.503 2.500 10 30 EFEEMP C=C(C)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001317875197 1328432350 /nfs/dbraw/zinc/43/23/50/1328432350.db2.gz CPFLEDCLXYYZBQ-GOSISDBHSA-N 2 1 344.503 2.500 10 30 EFEEMP C=C(C)C[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001317877201 1328434410 /nfs/dbraw/zinc/43/44/10/1328434410.db2.gz UONYYWQBRMLHIO-RTBURBONSA-N 2 1 333.520 2.750 10 30 EFEEMP C=C(C)C[NH+](C)CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001317877201 1328434414 /nfs/dbraw/zinc/43/44/14/1328434414.db2.gz UONYYWQBRMLHIO-RTBURBONSA-N 2 1 333.520 2.750 10 30 EFEEMP C=C(C)C[NH+](C)CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001317877201 1328434417 /nfs/dbraw/zinc/43/44/17/1328434417.db2.gz UONYYWQBRMLHIO-RTBURBONSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001318175624 1328512996 /nfs/dbraw/zinc/51/29/96/1328512996.db2.gz CKNGLNWNMCWNFU-APWZRJJASA-N 2 1 329.488 2.692 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)CCCC2CCCC2)CC1 ZINC001322308534 1329445213 /nfs/dbraw/zinc/44/52/13/1329445213.db2.gz YOEIGUTYKGSNFN-SFHVURJKSA-N 2 1 347.547 2.739 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001322372156 1329453544 /nfs/dbraw/zinc/45/35/44/1329453544.db2.gz RNOISTLYFSQCGZ-WOJBJXKFSA-N 2 1 343.515 2.959 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001322372156 1329453546 /nfs/dbraw/zinc/45/35/46/1329453546.db2.gz RNOISTLYFSQCGZ-WOJBJXKFSA-N 2 1 343.515 2.959 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001322372154 1329453667 /nfs/dbraw/zinc/45/36/67/1329453667.db2.gz RNOISTLYFSQCGZ-UXHICEINSA-N 2 1 343.515 2.959 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001322372154 1329453668 /nfs/dbraw/zinc/45/36/68/1329453668.db2.gz RNOISTLYFSQCGZ-UXHICEINSA-N 2 1 343.515 2.959 10 30 EFEEMP CC#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC2)C1 ZINC001323637359 1329556636 /nfs/dbraw/zinc/55/66/36/1329556636.db2.gz KXBIOARYMHODOE-WOJBJXKFSA-N 2 1 347.547 2.691 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC(C)C)C1CCCCCC1 ZINC001323708681 1329563336 /nfs/dbraw/zinc/56/33/36/1329563336.db2.gz LRAUELJSCNTZFE-FQEVSTJZSA-N 2 1 347.547 2.881 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC(C)C)C1CCCCCC1 ZINC001323708681 1329563338 /nfs/dbraw/zinc/56/33/38/1329563338.db2.gz LRAUELJSCNTZFE-FQEVSTJZSA-N 2 1 347.547 2.881 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC(C)C)C1CCCCCC1 ZINC001323708681 1329563340 /nfs/dbraw/zinc/56/33/40/1329563340.db2.gz LRAUELJSCNTZFE-FQEVSTJZSA-N 2 1 347.547 2.881 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC(C)C)C1CCCCCC1 ZINC001323708681 1329563341 /nfs/dbraw/zinc/56/33/41/1329563341.db2.gz LRAUELJSCNTZFE-FQEVSTJZSA-N 2 1 347.547 2.881 10 30 EFEEMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001323736859 1329566988 /nfs/dbraw/zinc/56/69/88/1329566988.db2.gz WJDQXDLJMOHDME-UHFFFAOYSA-N 2 1 333.520 2.751 10 30 EFEEMP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+](C)CCCCCC)C2)C1 ZINC001323813141 1329574202 /nfs/dbraw/zinc/57/42/02/1329574202.db2.gz OLUCUIRJUPEIEF-OAQYLSRUSA-N 2 1 347.547 2.836 10 30 EFEEMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)CCCCCC)C2)C1 ZINC001323813141 1329574203 /nfs/dbraw/zinc/57/42/03/1329574203.db2.gz OLUCUIRJUPEIEF-OAQYLSRUSA-N 2 1 347.547 2.836 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)CCCCCC)C2)C1 ZINC001323813141 1329574204 /nfs/dbraw/zinc/57/42/04/1329574204.db2.gz OLUCUIRJUPEIEF-OAQYLSRUSA-N 2 1 347.547 2.836 10 30 EFEEMP CCCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001323844400 1329577324 /nfs/dbraw/zinc/57/73/24/1329577324.db2.gz KKXGECHKUIGUCC-UYAOXDASSA-N 2 1 335.536 2.975 10 30 EFEEMP CCCCCCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001323844400 1329577327 /nfs/dbraw/zinc/57/73/27/1329577327.db2.gz KKXGECHKUIGUCC-UYAOXDASSA-N 2 1 335.536 2.975 10 30 EFEEMP CCCCCCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001323844400 1329577329 /nfs/dbraw/zinc/57/73/29/1329577329.db2.gz KKXGECHKUIGUCC-UYAOXDASSA-N 2 1 335.536 2.975 10 30 EFEEMP CCCCCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001323844394 1329577437 /nfs/dbraw/zinc/57/74/37/1329577437.db2.gz KKXGECHKUIGUCC-ICSRJNTNSA-N 2 1 335.536 2.975 10 30 EFEEMP CCCCCCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001323844394 1329577439 /nfs/dbraw/zinc/57/74/39/1329577439.db2.gz KKXGECHKUIGUCC-ICSRJNTNSA-N 2 1 335.536 2.975 10 30 EFEEMP CCCCCCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001323844394 1329577440 /nfs/dbraw/zinc/57/74/40/1329577440.db2.gz KKXGECHKUIGUCC-ICSRJNTNSA-N 2 1 335.536 2.975 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001323858646 1329579541 /nfs/dbraw/zinc/57/95/41/1329579541.db2.gz QHBRFCPSKUWEGO-IEBWSBKVSA-N 2 1 333.520 2.750 10 30 EFEEMP C#CCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C1CC[NH+](CCCC)CC1 ZINC001324395975 1329623438 /nfs/dbraw/zinc/62/34/38/1329623438.db2.gz KMTIXZLLKNNWGP-SFHVURJKSA-N 2 1 333.520 2.587 10 30 EFEEMP C#CCN(C(=O)C[N@H+]1CC[C@H](C)C1)C1CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001324420221 1329625575 /nfs/dbraw/zinc/62/55/75/1329625575.db2.gz OAHNQBGCVWGRTN-OALUTQOASA-N 2 1 345.531 2.609 10 30 EFEEMP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1ccc2ccccc2c1 ZINC001324440220 1329627821 /nfs/dbraw/zinc/62/78/21/1329627821.db2.gz BSAIIYMJLYZWEG-PMACEKPBSA-N 2 1 337.467 2.867 10 30 EFEEMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001324557751 1329639735 /nfs/dbraw/zinc/63/97/35/1329639735.db2.gz UEHLGILUTMPDFH-HXUWFJFHSA-N 2 1 333.520 2.753 10 30 EFEEMP C=CCCC[N@H+]1CC[C@](C)(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001324615737 1329645199 /nfs/dbraw/zinc/64/51/99/1329645199.db2.gz QKMWZEDWGREFBW-APWZRJJASA-N 2 1 332.492 2.943 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@](C)(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001324615737 1329645200 /nfs/dbraw/zinc/64/52/00/1329645200.db2.gz QKMWZEDWGREFBW-APWZRJJASA-N 2 1 332.492 2.943 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CC[C@@](C)(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001324655284 1329648595 /nfs/dbraw/zinc/64/85/95/1329648595.db2.gz AHLKBDOAKARLLT-QFBILLFUSA-N 2 1 332.492 2.907 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001324655284 1329648596 /nfs/dbraw/zinc/64/85/96/1329648596.db2.gz AHLKBDOAKARLLT-QFBILLFUSA-N 2 1 332.492 2.907 10 30 EFEEMP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001324776408 1329657687 /nfs/dbraw/zinc/65/76/87/1329657687.db2.gz PHSUIJBOMAJPKY-FXAWDEMLSA-N 2 1 344.503 2.548 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@@H+](CC(CC)CC)C1 ZINC001324943723 1329661613 /nfs/dbraw/zinc/66/16/13/1329661613.db2.gz LBMICXFIECMHNH-PZJWPPBQSA-N 2 1 347.547 2.739 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@H+](CC(CC)CC)C1 ZINC001324943723 1329661615 /nfs/dbraw/zinc/66/16/15/1329661615.db2.gz LBMICXFIECMHNH-PZJWPPBQSA-N 2 1 347.547 2.739 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](CC(CC)CC)C1 ZINC001324943723 1329661617 /nfs/dbraw/zinc/66/16/17/1329661617.db2.gz LBMICXFIECMHNH-PZJWPPBQSA-N 2 1 347.547 2.739 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](CC(CC)CC)C1 ZINC001324943723 1329661619 /nfs/dbraw/zinc/66/16/19/1329661619.db2.gz LBMICXFIECMHNH-PZJWPPBQSA-N 2 1 347.547 2.739 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CCC[C@@](C)(CNC(=O)CCc2cncn2C)C1 ZINC001324974491 1329664484 /nfs/dbraw/zinc/66/44/84/1329664484.db2.gz AECZZACHUQIBPS-PXNSSMCTSA-N 2 1 346.519 2.926 10 30 EFEEMP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001325666279 1329705096 /nfs/dbraw/zinc/70/50/96/1329705096.db2.gz UJSQOEZKUCHGJY-VAMGGRTRSA-N 2 1 347.547 2.785 10 30 EFEEMP C=CCC[C@H](C)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@H]2C1 ZINC001325754227 1329710967 /nfs/dbraw/zinc/71/09/67/1329710967.db2.gz PUNCIDNECSTWNI-HAGHYFMRSA-N 2 1 347.547 2.852 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@H]2C1 ZINC001325754227 1329710969 /nfs/dbraw/zinc/71/09/69/1329710969.db2.gz PUNCIDNECSTWNI-HAGHYFMRSA-N 2 1 347.547 2.852 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@H]2C1 ZINC001325754227 1329710971 /nfs/dbraw/zinc/71/09/71/1329710971.db2.gz PUNCIDNECSTWNI-HAGHYFMRSA-N 2 1 347.547 2.852 10 30 EFEEMP C=CCCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001325902154 1329723260 /nfs/dbraw/zinc/72/32/60/1329723260.db2.gz ZZTIHMCGSZTUIM-RDGPPVDQSA-N 2 1 333.520 2.748 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001325902154 1329723261 /nfs/dbraw/zinc/72/32/61/1329723261.db2.gz ZZTIHMCGSZTUIM-RDGPPVDQSA-N 2 1 333.520 2.748 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001325902154 1329723263 /nfs/dbraw/zinc/72/32/63/1329723263.db2.gz ZZTIHMCGSZTUIM-RDGPPVDQSA-N 2 1 333.520 2.748 10 30 EFEEMP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001325916321 1329723785 /nfs/dbraw/zinc/72/37/85/1329723785.db2.gz HWLDEEQSHDHIPV-VQTJNVASSA-N 2 1 341.499 2.760 10 30 EFEEMP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)Cc1ccccc1 ZINC001325916321 1329723787 /nfs/dbraw/zinc/72/37/87/1329723787.db2.gz HWLDEEQSHDHIPV-VQTJNVASSA-N 2 1 341.499 2.760 10 30 EFEEMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)Cc1ccccc1 ZINC001325916321 1329723789 /nfs/dbraw/zinc/72/37/89/1329723789.db2.gz HWLDEEQSHDHIPV-VQTJNVASSA-N 2 1 341.499 2.760 10 30 EFEEMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)Cc1ccccc1 ZINC001325916321 1329723792 /nfs/dbraw/zinc/72/37/92/1329723792.db2.gz HWLDEEQSHDHIPV-VQTJNVASSA-N 2 1 341.499 2.760 10 30 EFEEMP C=CCCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)CC(C)(C)C ZINC001325918985 1329724363 /nfs/dbraw/zinc/72/43/63/1329724363.db2.gz FZWSTGYXWTVNHB-ROUUACIJSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001325918985 1329724365 /nfs/dbraw/zinc/72/43/65/1329724365.db2.gz FZWSTGYXWTVNHB-ROUUACIJSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001325918985 1329724366 /nfs/dbraw/zinc/72/43/66/1329724366.db2.gz FZWSTGYXWTVNHB-ROUUACIJSA-N 2 1 335.536 2.996 10 30 EFEEMP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC001326467036 1329758745 /nfs/dbraw/zinc/75/87/45/1329758745.db2.gz DWPWGXBXLXXBPL-YLJYHZDGSA-N 2 1 341.499 2.707 10 30 EFEEMP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001326541723 1330314756 /nfs/dbraw/zinc/31/47/56/1330314756.db2.gz LOMFORPUFXIJKQ-QAQDUYKDSA-N 2 1 332.492 2.847 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001327174151 1330436584 /nfs/dbraw/zinc/43/65/84/1330436584.db2.gz XLZHJXASRWRJDI-QGZVFWFLSA-N 2 1 341.927 2.976 10 30 EFEEMP C=CCC[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001327212974 1330442652 /nfs/dbraw/zinc/44/26/52/1330442652.db2.gz MTLGVFKAFSWSCJ-SFHVURJKSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001327212974 1330442655 /nfs/dbraw/zinc/44/26/55/1330442655.db2.gz MTLGVFKAFSWSCJ-SFHVURJKSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001327212974 1330442661 /nfs/dbraw/zinc/44/26/61/1330442661.db2.gz MTLGVFKAFSWSCJ-SFHVURJKSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[N@H+](C)CCCN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001327230428 1330444207 /nfs/dbraw/zinc/44/42/07/1330444207.db2.gz TWEANASOBXPXAM-UHFFFAOYSA-N 2 1 341.459 2.627 10 30 EFEEMP C=C(C)CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001327257083 1330448541 /nfs/dbraw/zinc/44/85/41/1330448541.db2.gz BCGLWRWDBYTOAK-KRWDZBQOSA-N 2 1 332.492 2.500 10 30 EFEEMP C=C(C)CC[N@H+](C)CCCN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001327257083 1330448545 /nfs/dbraw/zinc/44/85/45/1330448545.db2.gz BCGLWRWDBYTOAK-KRWDZBQOSA-N 2 1 332.492 2.500 10 30 EFEEMP C=CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001327474391 1330484919 /nfs/dbraw/zinc/48/49/19/1330484919.db2.gz KBDTXHHTTAKTHI-KRWDZBQOSA-N 2 1 344.503 2.691 10 30 EFEEMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+](C)CCCCCC)C2 ZINC001327528870 1330495694 /nfs/dbraw/zinc/49/56/94/1330495694.db2.gz CZWYYCLWJAGPDW-HXUWFJFHSA-N 2 1 335.536 2.999 10 30 EFEEMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)CCCCCC)C2 ZINC001327528870 1330495698 /nfs/dbraw/zinc/49/56/98/1330495698.db2.gz CZWYYCLWJAGPDW-HXUWFJFHSA-N 2 1 335.536 2.999 10 30 EFEEMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)CCCCCC)C2 ZINC001327528870 1330495700 /nfs/dbraw/zinc/49/57/00/1330495700.db2.gz CZWYYCLWJAGPDW-HXUWFJFHSA-N 2 1 335.536 2.999 10 30 EFEEMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001327540196 1330496685 /nfs/dbraw/zinc/49/66/85/1330496685.db2.gz HDFCMLLVGVHNIZ-NRFANRHFSA-N 2 1 345.531 2.590 10 30 EFEEMP C#CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001327982394 1330538260 /nfs/dbraw/zinc/53/82/60/1330538260.db2.gz PZEBEKZYFRJAQE-GOSISDBHSA-N 2 1 345.531 2.635 10 30 EFEEMP C=CCCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001328017799 1330542130 /nfs/dbraw/zinc/54/21/30/1330542130.db2.gz OWFXCLYVVGLLJY-KRWDZBQOSA-N 2 1 344.503 2.691 10 30 EFEEMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)N(C)C)C(C)(C)C1 ZINC001328099346 1330556261 /nfs/dbraw/zinc/55/62/61/1330556261.db2.gz UFCZYNLDBKGZBR-ZWKOTPCHSA-N 2 1 329.488 2.692 10 30 EFEEMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001328099346 1330556265 /nfs/dbraw/zinc/55/62/65/1330556265.db2.gz UFCZYNLDBKGZBR-ZWKOTPCHSA-N 2 1 329.488 2.692 10 30 EFEEMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC2)C1 ZINC001328812995 1330637233 /nfs/dbraw/zinc/63/72/33/1330637233.db2.gz TVCMZBGTAYEXEW-WOJBJXKFSA-N 2 1 347.547 2.691 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC2)C1 ZINC001328812992 1330637572 /nfs/dbraw/zinc/63/75/72/1330637572.db2.gz TVCMZBGTAYEXEW-VQTJNVASSA-N 2 1 347.547 2.691 10 30 EFEEMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001330000693 1330760798 /nfs/dbraw/zinc/76/07/98/1330760798.db2.gz QWSCZWSUYRMUIV-CVEARBPZSA-N 2 1 332.492 2.799 10 30 EFEEMP C=CCCCCC[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001331028466 1330784944 /nfs/dbraw/zinc/78/49/44/1330784944.db2.gz HPUZYGGAUHAGAS-IEBWSBKVSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCCCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001331028466 1330784950 /nfs/dbraw/zinc/78/49/50/1330784950.db2.gz HPUZYGGAUHAGAS-IEBWSBKVSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCCCC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001331028466 1330784953 /nfs/dbraw/zinc/78/49/53/1330784953.db2.gz HPUZYGGAUHAGAS-IEBWSBKVSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001331363327 1330828037 /nfs/dbraw/zinc/82/80/37/1330828037.db2.gz WSBFEKDGMZITSD-RBUKOAKNSA-N 2 1 329.488 2.692 10 30 EFEEMP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001331559420 1330852447 /nfs/dbraw/zinc/85/24/47/1330852447.db2.gz FFPKMBHIEOQZPG-YJBOKZPZSA-N 2 1 327.488 2.602 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001332110373 1330921359 /nfs/dbraw/zinc/92/13/59/1330921359.db2.gz JGHFSKRGUKZHGB-WIYYLYMNSA-N 2 1 345.531 2.942 10 30 EFEEMP C=C(C)C[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)Cc3ccccc3)CCC[C@H]12 ZINC001332121704 1330924168 /nfs/dbraw/zinc/92/41/68/1330924168.db2.gz YXIJFMSNKDQJIL-FPOVZHCZSA-N 2 1 341.499 2.808 10 30 EFEEMP C=C(C)C[NH+]1CC[C@@]2(NC(=O)C[N@H+](C)Cc3ccccc3)CCC[C@H]12 ZINC001332121704 1330924172 /nfs/dbraw/zinc/92/41/72/1330924172.db2.gz YXIJFMSNKDQJIL-FPOVZHCZSA-N 2 1 341.499 2.808 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)Cc3ccccc3)CCC[C@H]12 ZINC001332121704 1330924174 /nfs/dbraw/zinc/92/41/74/1330924174.db2.gz YXIJFMSNKDQJIL-FPOVZHCZSA-N 2 1 341.499 2.808 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)C[NH+](C)Cc3ccccc3)CCC[C@H]12 ZINC001332121704 1330924177 /nfs/dbraw/zinc/92/41/77/1330924177.db2.gz YXIJFMSNKDQJIL-FPOVZHCZSA-N 2 1 341.499 2.808 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)CCCC[NH+](C)C)CCC[C@H]12 ZINC001332121135 1330924366 /nfs/dbraw/zinc/92/43/66/1330924366.db2.gz XLGMGAGFFGEYAV-DOTOQJQBSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)CCCC[NH+](C)C)CCC[C@H]12 ZINC001332121135 1330924367 /nfs/dbraw/zinc/92/43/67/1330924367.db2.gz XLGMGAGFFGEYAV-DOTOQJQBSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(C)CC[NH2+]C1(CNC(C)=O)CC[NH+](Cc2ccccc2)CC1 ZINC001333012522 1331064604 /nfs/dbraw/zinc/06/46/04/1331064604.db2.gz AWOTZKZHMIGSHZ-UHFFFAOYSA-N 2 1 329.488 2.713 10 30 EFEEMP C=CCn1c(C)nn(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c1=S ZINC001334725788 1331297202 /nfs/dbraw/zinc/29/72/02/1331297202.db2.gz RXSZINMGYUJHEE-XHSDSOJGSA-N 2 1 335.521 2.528 10 30 EFEEMP C=CCn1c(C)nn(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c1=S ZINC001334725788 1331297205 /nfs/dbraw/zinc/29/72/05/1331297205.db2.gz RXSZINMGYUJHEE-XHSDSOJGSA-N 2 1 335.521 2.528 10 30 EFEEMP C=CC(C)(C)CCCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001335590795 1331378087 /nfs/dbraw/zinc/37/80/87/1331378087.db2.gz MDLDKXIMHQFAHT-HDICACEKSA-N 2 1 348.535 2.589 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](CC/C=C/CC)C2)CC1 ZINC001480272687 1333516960 /nfs/dbraw/zinc/51/69/60/1333516960.db2.gz YAMPXVSSUYSYHL-UEKDZROGSA-N 2 1 345.531 2.516 10 30 EFEEMP CC1(C)CC(=NNCCCn2ccnc2)C[N@@H+]1Cc1ccccc1 ZINC000848416444 1334713285 /nfs/dbraw/zinc/71/32/85/1334713285.db2.gz LHQFQVQHTYQOGN-UHFFFAOYSA-N 2 1 325.460 2.903 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001366224951 1337457187 /nfs/dbraw/zinc/45/71/87/1337457187.db2.gz HXNUVORGABQTAG-HZPDHXFCSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001368192303 1339246684 /nfs/dbraw/zinc/24/66/84/1339246684.db2.gz CXQJKLJKYRRQEG-AEFFLSMTSA-N 2 1 341.927 2.689 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001368192305 1339246951 /nfs/dbraw/zinc/24/69/51/1339246951.db2.gz CXQJKLJKYRRQEG-FUHWJXTLSA-N 2 1 341.927 2.689 10 30 EFEEMP C=C(Cl)CN(C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001368402843 1339341471 /nfs/dbraw/zinc/34/14/71/1339341471.db2.gz AXAJFMKVBYYCPV-QGZVFWFLSA-N 2 1 335.879 2.581 10 30 EFEEMP C=C(Cl)CN(C)Cc1ccccc1CNC(=O)[C@H]1CCCN1C ZINC001368402843 1339341478 /nfs/dbraw/zinc/34/14/78/1339341478.db2.gz AXAJFMKVBYYCPV-QGZVFWFLSA-N 2 1 335.879 2.581 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001373041957 1340883074 /nfs/dbraw/zinc/88/30/74/1340883074.db2.gz YOZCGZDVOBQCDU-RDJZCZTQSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001373041950 1340883089 /nfs/dbraw/zinc/88/30/89/1340883089.db2.gz YOZCGZDVOBQCDU-DOTOQJQBSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001373771756 1341141347 /nfs/dbraw/zinc/14/13/47/1341141347.db2.gz UDFTWKZFMDZLEI-CQSZACIVSA-N 2 1 329.916 2.876 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001373771754 1341141342 /nfs/dbraw/zinc/14/13/42/1341141342.db2.gz UDFTWKZFMDZLEI-AWEZNQCLSA-N 2 1 329.916 2.876 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001373961290 1341255937 /nfs/dbraw/zinc/25/59/37/1341255937.db2.gz YVWLXNQDBUTJSB-SJORKVTESA-N 2 1 339.911 2.727 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CCCC1 ZINC001375792663 1343020667 /nfs/dbraw/zinc/02/06/67/1343020667.db2.gz ZIGWHNJIMQWNLF-SJORKVTESA-N 2 1 341.927 2.876 10 30 EFEEMP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001375917440 1343165138 /nfs/dbraw/zinc/16/51/38/1343165138.db2.gz LYAUQGUHTXKVKJ-MRXNPFEDSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001376375781 1343526722 /nfs/dbraw/zinc/52/67/22/1343526722.db2.gz DLZCYKGHZCTYCX-ULQDDVLXSA-N 2 1 341.927 2.593 10 30 EFEEMP C[C@@H]([NH2+]Cc1ccccc1C#N)[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001377860494 1344521897 /nfs/dbraw/zinc/52/18/97/1344521897.db2.gz VMSBPKWBSLVGQF-CVEARBPZSA-N 2 1 344.503 2.519 10 30 EFEEMP C=C(Cl)C[NH2+]CC1(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CCCC1 ZINC001378368386 1345017452 /nfs/dbraw/zinc/01/74/52/1345017452.db2.gz FSVQVPBVBJSJRQ-GASCZTMLSA-N 2 1 327.900 2.630 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)CC[NH+]3CCCCC3)CCC[C@H]12 ZINC001379612153 1345926687 /nfs/dbraw/zinc/92/66/87/1345926687.db2.gz CXVHDBLTCAIPNN-FUHWJXTLSA-N 2 1 339.911 2.728 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)CC[NH+]3CCCCC3)CCC[C@H]12 ZINC001379612153 1345926688 /nfs/dbraw/zinc/92/66/88/1345926688.db2.gz CXVHDBLTCAIPNN-FUHWJXTLSA-N 2 1 339.911 2.728 10 30 EFEEMP C=C(Cl)C[N@H+](CCC)CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001391127929 1354837764 /nfs/dbraw/zinc/83/77/64/1354837764.db2.gz GKLJAUUIKUBHKT-HZPDHXFCSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)C[N@@H+](CCC)CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001391127929 1354837767 /nfs/dbraw/zinc/83/77/67/1354837767.db2.gz GKLJAUUIKUBHKT-HZPDHXFCSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)C[NH+](CCC)CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001391127929 1354837776 /nfs/dbraw/zinc/83/77/76/1354837776.db2.gz GKLJAUUIKUBHKT-HZPDHXFCSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)C[NH+](CCC)CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001391127929 1354837782 /nfs/dbraw/zinc/83/77/82/1354837782.db2.gz GKLJAUUIKUBHKT-HZPDHXFCSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)CN[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001391254513 1354976813 /nfs/dbraw/zinc/97/68/13/1354976813.db2.gz CGLVCJHVADUWDK-SZMVWBNQSA-N 2 1 349.906 2.916 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001391254513 1354976816 /nfs/dbraw/zinc/97/68/16/1354976816.db2.gz CGLVCJHVADUWDK-SZMVWBNQSA-N 2 1 349.906 2.916 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001391254513 1354976823 /nfs/dbraw/zinc/97/68/23/1354976823.db2.gz CGLVCJHVADUWDK-SZMVWBNQSA-N 2 1 349.906 2.916 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H](NC(=O)Cn1c[nH+]cc1C)C1CCCCC1 ZINC001392160718 1355815416 /nfs/dbraw/zinc/81/54/16/1355815416.db2.gz HGBCIAIFYCGTAG-INIZCTEOSA-N 2 1 338.883 2.599 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001398469574 1360585745 /nfs/dbraw/zinc/58/57/45/1360585745.db2.gz WUNSTHXDRMLHMD-DLBZAZTESA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001398469574 1360585748 /nfs/dbraw/zinc/58/57/48/1360585748.db2.gz WUNSTHXDRMLHMD-DLBZAZTESA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001398469341 1360585854 /nfs/dbraw/zinc/58/58/54/1360585854.db2.gz GSKRCFMPJMZJGP-ULQDDVLXSA-N 2 1 341.927 2.640 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001398703794 1360731036 /nfs/dbraw/zinc/73/10/36/1360731036.db2.gz WDZZKWFYFRMCNA-HZPDHXFCSA-N 2 1 329.916 2.688 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001398703794 1360731039 /nfs/dbraw/zinc/73/10/39/1360731039.db2.gz WDZZKWFYFRMCNA-HZPDHXFCSA-N 2 1 329.916 2.688 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001402318992 1363603093 /nfs/dbraw/zinc/60/30/93/1363603093.db2.gz UGIBUQFAVFANNM-DLBZAZTESA-N 2 1 339.911 2.630 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001402681925 1363931025 /nfs/dbraw/zinc/93/10/25/1363931025.db2.gz OGQCVCKPMXIJJG-IAGOWNOFSA-N 2 1 341.927 2.641 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001402850117 1364090657 /nfs/dbraw/zinc/09/06/57/1364090657.db2.gz WEMZZTYVHONUJU-JQHSSLGASA-N 2 1 349.906 2.569 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001402950219 1364156668 /nfs/dbraw/zinc/15/66/68/1364156668.db2.gz YMBSMAKWJDEHHY-DLBZAZTESA-N 2 1 341.927 2.640 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001402950219 1364156672 /nfs/dbraw/zinc/15/66/72/1364156672.db2.gz YMBSMAKWJDEHHY-DLBZAZTESA-N 2 1 341.927 2.640 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001402950219 1364156677 /nfs/dbraw/zinc/15/66/77/1364156677.db2.gz YMBSMAKWJDEHHY-DLBZAZTESA-N 2 1 341.927 2.640 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001402950222 1364157059 /nfs/dbraw/zinc/15/70/59/1364157059.db2.gz YMBSMAKWJDEHHY-IAGOWNOFSA-N 2 1 341.927 2.640 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001402950222 1364157063 /nfs/dbraw/zinc/15/70/63/1364157063.db2.gz YMBSMAKWJDEHHY-IAGOWNOFSA-N 2 1 341.927 2.640 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001402950222 1364157068 /nfs/dbraw/zinc/15/70/68/1364157068.db2.gz YMBSMAKWJDEHHY-IAGOWNOFSA-N 2 1 341.927 2.640 10 30 EFEEMP C=C(Cl)C[NH+]1C[C@@H]2CC[C@H](NC(=O)CC[N@H+](C)CCC)C[C@@H]2C1 ZINC001403428398 1364632712 /nfs/dbraw/zinc/63/27/12/1364632712.db2.gz ZHBRANSUKWUXNG-BBWFWOEESA-N 2 1 341.927 2.688 10 30 EFEEMP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)CCC)C[C@@H]2C1 ZINC001403428398 1364632716 /nfs/dbraw/zinc/63/27/16/1364632716.db2.gz ZHBRANSUKWUXNG-BBWFWOEESA-N 2 1 341.927 2.688 10 30 EFEEMP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)CCC)C[C@@H]2C1 ZINC001403428398 1364632720 /nfs/dbraw/zinc/63/27/20/1364632720.db2.gz ZHBRANSUKWUXNG-BBWFWOEESA-N 2 1 341.927 2.688 10 30 EFEEMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001502382553 1404121798 /nfs/dbraw/zinc/12/17/98/1404121798.db2.gz UFIGKMRQSFZKBG-HOTGVXAUSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001502382553 1404121805 /nfs/dbraw/zinc/12/18/05/1404121805.db2.gz UFIGKMRQSFZKBG-HOTGVXAUSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001502382553 1404121810 /nfs/dbraw/zinc/12/18/10/1404121810.db2.gz UFIGKMRQSFZKBG-HOTGVXAUSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001502382553 1404121814 /nfs/dbraw/zinc/12/18/14/1404121814.db2.gz UFIGKMRQSFZKBG-HOTGVXAUSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)CC(C)(C)C1 ZINC001417863709 1373357977 /nfs/dbraw/zinc/35/79/77/1373357977.db2.gz VHJNCTMDYOBZFJ-HNNXBMFYSA-N 2 1 329.916 2.688 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001418022171 1373534936 /nfs/dbraw/zinc/53/49/36/1373534936.db2.gz RPAUGOFZJFTZLS-DLBZAZTESA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001418022171 1373534940 /nfs/dbraw/zinc/53/49/40/1373534940.db2.gz RPAUGOFZJFTZLS-DLBZAZTESA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@H]2[C@H](CCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001418083317 1373590249 /nfs/dbraw/zinc/59/02/49/1373590249.db2.gz RCAIOIFGWOMZRF-SJORKVTESA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@H]2[C@H](CCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001418083317 1373590253 /nfs/dbraw/zinc/59/02/53/1373590253.db2.gz RCAIOIFGWOMZRF-SJORKVTESA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001418083317 1373590256 /nfs/dbraw/zinc/59/02/56/1373590256.db2.gz RCAIOIFGWOMZRF-SJORKVTESA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001418083317 1373590262 /nfs/dbraw/zinc/59/02/62/1373590262.db2.gz RCAIOIFGWOMZRF-SJORKVTESA-N 2 1 341.927 2.784 10 30 EFEEMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001420033097 1376331009 /nfs/dbraw/zinc/33/10/09/1376331009.db2.gz GYVUGSTZEFZKEC-JKSUJKDBSA-N 2 1 329.916 2.782 10 30 EFEEMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001420033097 1376331012 /nfs/dbraw/zinc/33/10/12/1376331012.db2.gz GYVUGSTZEFZKEC-JKSUJKDBSA-N 2 1 329.916 2.782 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001438296989 1388490131 /nfs/dbraw/zinc/49/01/31/1388490131.db2.gz 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EFEEMP C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001501619497 1403649810 /nfs/dbraw/zinc/64/98/10/1403649810.db2.gz ULNZTGRVPZUCSU-MSOLQXFVSA-N 2 1 344.503 2.548 10 30 EFEEMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001501737146 1403754752 /nfs/dbraw/zinc/75/47/52/1403754752.db2.gz LIKMAVJMHCYQEG-SFHVURJKSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCC[N@@H+]1CCc2c(CNC(=O)C3(C[NH+](C)C)CC3)cccc2C1 ZINC001501854053 1403826959 /nfs/dbraw/zinc/82/69/59/1403826959.db2.gz KBMYECBXMMNMKT-UHFFFAOYSA-N 2 1 341.499 2.579 10 30 EFEEMP C=CCC[NH+]1CCc2c(CNC(=O)CC[N@H+](C)CC)cccc2C1 ZINC001501856948 1403832732 /nfs/dbraw/zinc/83/27/32/1403832732.db2.gz RXICPVRFLPDJBD-UHFFFAOYSA-N 2 1 329.488 2.579 10 30 EFEEMP C=CCC[N@H+]1CCc2c(CNC(=O)CC[NH+](C)CC)cccc2C1 ZINC001501856948 1403832738 /nfs/dbraw/zinc/83/27/38/1403832738.db2.gz RXICPVRFLPDJBD-UHFFFAOYSA-N 2 1 329.488 2.579 10 30 EFEEMP C=CCC[N@@H+]1CCc2c(CNC(=O)CC[NH+](C)CC)cccc2C1 ZINC001501856948 1403832748 /nfs/dbraw/zinc/83/27/48/1403832748.db2.gz RXICPVRFLPDJBD-UHFFFAOYSA-N 2 1 329.488 2.579 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]1CCc2cnc(C)n2C1 ZINC001502367232 1404106496 /nfs/dbraw/zinc/10/64/96/1404106496.db2.gz BAKKEWMWYQUZOM-WMZOPIPTSA-N 2 1 346.519 2.889 10 30 EFEEMP C=CCC[C@H](C)[N@H+](C)CCCN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001502367232 1404106501 /nfs/dbraw/zinc/10/65/01/1404106501.db2.gz BAKKEWMWYQUZOM-WMZOPIPTSA-N 2 1 346.519 2.889 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001502367232 1404106507 /nfs/dbraw/zinc/10/65/07/1404106507.db2.gz BAKKEWMWYQUZOM-WMZOPIPTSA-N 2 1 346.519 2.889 10 30 EFEEMP C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc2C1 ZINC001502652983 1404288244 /nfs/dbraw/zinc/28/82/44/1404288244.db2.gz MLAUZSZFWBDMRV-LJQANCHMSA-N 2 1 329.488 2.781 10 30 EFEEMP C=CCCC[NH+]1Cc2ccc(CNC(=O)C[N@H+](C)C(C)C)cc2C1 ZINC001502653738 1404289100 /nfs/dbraw/zinc/28/91/00/1404289100.db2.gz UJECJJIVKCXJFE-UHFFFAOYSA-N 2 1 329.488 2.925 10 30 EFEEMP C=CCCC[N@H+]1Cc2ccc(CNC(=O)C[NH+](C)C(C)C)cc2C1 ZINC001502653738 1404289104 /nfs/dbraw/zinc/28/91/04/1404289104.db2.gz UJECJJIVKCXJFE-UHFFFAOYSA-N 2 1 329.488 2.925 10 30 EFEEMP C=CCCC[N@@H+]1Cc2ccc(CNC(=O)C[NH+](C)C(C)C)cc2C1 ZINC001502653738 1404289109 /nfs/dbraw/zinc/28/91/09/1404289109.db2.gz UJECJJIVKCXJFE-UHFFFAOYSA-N 2 1 329.488 2.925 10 30 EFEEMP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001502786705 1404343368 /nfs/dbraw/zinc/34/33/68/1404343368.db2.gz WVMGWKSZQMZEKS-INIZCTEOSA-N 2 1 341.927 2.830 10 30 EFEEMP CC#CC[NH2+]C1(C)CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001502804315 1404353567 /nfs/dbraw/zinc/35/35/67/1404353567.db2.gz PJIRJPOTEUYKMG-IBGZPJMESA-N 2 1 341.499 2.673 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)C[C@H]1C ZINC001502987268 1404450952 /nfs/dbraw/zinc/45/09/52/1404450952.db2.gz LTSGZIRVWCZQRV-UYAOXDASSA-N 2 1 343.515 2.706 10 30 EFEEMP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1C ZINC001502987268 1404450956 /nfs/dbraw/zinc/45/09/56/1404450956.db2.gz LTSGZIRVWCZQRV-UYAOXDASSA-N 2 1 343.515 2.706 10 30 EFEEMP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1C ZINC001502987268 1404450960 /nfs/dbraw/zinc/45/09/60/1404450960.db2.gz LTSGZIRVWCZQRV-UYAOXDASSA-N 2 1 343.515 2.706 10 30 EFEEMP C=CCCC[NH2+][C@@H](C)CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001503473282 1404485171 /nfs/dbraw/zinc/48/51/71/1404485171.db2.gz KIQKNUWCQYNMOA-YJBOKZPZSA-N 2 1 327.488 2.650 10 30 EFEEMP C=CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001505398272 1404552358 /nfs/dbraw/zinc/55/23/58/1404552358.db2.gz CMBWEAUDFWZJHP-SFHVURJKSA-N 2 1 344.503 2.500 10 30 EFEEMP C=CC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001505398272 1404552364 /nfs/dbraw/zinc/55/23/64/1404552364.db2.gz CMBWEAUDFWZJHP-SFHVURJKSA-N 2 1 344.503 2.500 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001505637014 1404880270 /nfs/dbraw/zinc/88/02/70/1404880270.db2.gz GMGCHSSHTXZCNZ-KGLIPLIRSA-N 2 1 329.916 2.875 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC1CCC(C)(C)CC1 ZINC001505938104 1405251007 /nfs/dbraw/zinc/25/10/07/1405251007.db2.gz SLCKKLJLTPFKCA-MJGOQNOKSA-N 2 1 347.547 2.737 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC1CCC(C)(C)CC1 ZINC001505938104 1405251011 /nfs/dbraw/zinc/25/10/11/1405251011.db2.gz SLCKKLJLTPFKCA-MJGOQNOKSA-N 2 1 347.547 2.737 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CC1CCC(C)(C)CC1 ZINC001505938104 1405251014 /nfs/dbraw/zinc/25/10/14/1405251014.db2.gz SLCKKLJLTPFKCA-MJGOQNOKSA-N 2 1 347.547 2.737 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC1CCC(C)(C)CC1 ZINC001505938104 1405251021 /nfs/dbraw/zinc/25/10/21/1405251021.db2.gz SLCKKLJLTPFKCA-MJGOQNOKSA-N 2 1 347.547 2.737 10 30 EFEEMP C=C(C)C[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001506492406 1405846542 /nfs/dbraw/zinc/84/65/42/1405846542.db2.gz XTNDCFYZRMHUCO-HKUYNNGSSA-N 2 1 346.519 2.793 10 30 EFEEMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001506574618 1405990099 /nfs/dbraw/zinc/99/00/99/1405990099.db2.gz ZVRWHKHZUMJDLR-LJQANCHMSA-N 2 1 347.547 2.883 10 30 EFEEMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001506574613 1405990703 /nfs/dbraw/zinc/99/07/03/1405990703.db2.gz ZVRWHKHZUMJDLR-IBGZPJMESA-N 2 1 347.547 2.883 10 30 EFEEMP C=C(C)C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001565935656 1415175709 /nfs/dbraw/zinc/17/57/09/1415175709.db2.gz GDQQTZUQNNNSJB-QAPCUYQASA-N 2 1 348.491 2.533 10 30 EFEEMP C=C(C)C[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001565935657 1415175784 /nfs/dbraw/zinc/17/57/84/1415175784.db2.gz GDQQTZUQNNNSJB-YJBOKZPZSA-N 2 1 348.491 2.533 10 30 EFEEMP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001565885092 1415443907 /nfs/dbraw/zinc/44/39/07/1415443907.db2.gz MSNFHOOPEOJCPZ-VQTJNVASSA-N 2 1 343.515 2.879 10 30 EFEEMP C=C(Cl)C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C(C)C ZINC001565943312 1415461632 /nfs/dbraw/zinc/46/16/32/1415461632.db2.gz OZYNLWXPNAQQDR-ZBFHGGJFSA-N 2 1 329.916 2.686 10 30 EFEEMP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001565986679 1415471000 /nfs/dbraw/zinc/47/10/00/1415471000.db2.gz JUEHMJBYXOKKDI-GUDVDZBRSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001566001119 1415478407 /nfs/dbraw/zinc/47/84/07/1415478407.db2.gz SMKRLKFOIARBPA-WOJBJXKFSA-N 2 1 343.515 2.877 10 30 EFEEMP C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001566001119 1415478409 /nfs/dbraw/zinc/47/84/09/1415478409.db2.gz SMKRLKFOIARBPA-WOJBJXKFSA-N 2 1 343.515 2.877 10 30 EFEEMP C=CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001566001119 1415478410 /nfs/dbraw/zinc/47/84/10/1415478410.db2.gz SMKRLKFOIARBPA-WOJBJXKFSA-N 2 1 343.515 2.877 10 30 EFEEMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1C(F)(F)F ZINC001566002272 1415479045 /nfs/dbraw/zinc/47/90/45/1415479045.db2.gz VTYOLRLXDNLBFO-HUUCEWRRSA-N 2 1 349.441 2.519 10 30 EFEEMP C=C(C)CC[N@H+](CC)CCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001566564981 1415647605 /nfs/dbraw/zinc/64/76/05/1415647605.db2.gz KJJCSHCCSOZKBB-KRWDZBQOSA-N 2 1 332.492 2.548 10 30 EFEEMP C=C(C)CC[N@@H+](CC)CCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001566564981 1415647610 /nfs/dbraw/zinc/64/76/10/1415647610.db2.gz KJJCSHCCSOZKBB-KRWDZBQOSA-N 2 1 332.492 2.548 10 30 EFEEMP C=CCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001566608971 1415692743 /nfs/dbraw/zinc/69/27/43/1415692743.db2.gz MAVJQEPYSMCWLY-OALUTQOASA-N 2 1 333.520 2.892 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CCCCCC1)C1CC1 ZINC001566711268 1415742862 /nfs/dbraw/zinc/74/28/62/1415742862.db2.gz LDINZJGXRUNHSW-PMACEKPBSA-N 2 1 345.531 2.539 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CCCCCC1)C1CC1 ZINC001566711268 1415742863 /nfs/dbraw/zinc/74/28/63/1415742863.db2.gz LDINZJGXRUNHSW-PMACEKPBSA-N 2 1 345.531 2.539 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C[N@H+](C)CCCCC)C2)CC1 ZINC001566747011 1415760103 /nfs/dbraw/zinc/76/01/03/1415760103.db2.gz WJFVDKDAFXZSPH-IBGZPJMESA-N 2 1 347.547 2.692 10 30 EFEEMP C#CCC[NH+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001566962972 1415876566 /nfs/dbraw/zinc/87/65/66/1415876566.db2.gz OHCOVGDHSKSAHS-ROUUACIJSA-N 2 1 347.547 2.879 10 30 EFEEMP C#CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001566962972 1415876570 /nfs/dbraw/zinc/87/65/70/1415876570.db2.gz OHCOVGDHSKSAHS-ROUUACIJSA-N 2 1 347.547 2.879 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001566962972 1415876572 /nfs/dbraw/zinc/87/65/72/1415876572.db2.gz OHCOVGDHSKSAHS-ROUUACIJSA-N 2 1 347.547 2.879 10 30 EFEEMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001567155164 1415956036 /nfs/dbraw/zinc/95/60/36/1415956036.db2.gz NCEXTXBBEPIZIQ-HKUYNNGSSA-N 2 1 329.488 2.694 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCC(C)(C)C ZINC001567255373 1416025203 /nfs/dbraw/zinc/02/52/03/1416025203.db2.gz PZMPOQWLONHWHC-OALUTQOASA-N 2 1 347.547 2.881 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[N@H+]1CCC(C)(C)C ZINC001567255373 1416025189 /nfs/dbraw/zinc/02/51/89/1416025189.db2.gz PZMPOQWLONHWHC-OALUTQOASA-N 2 1 347.547 2.881 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1CCC(C)(C)C ZINC001567255373 1416025192 /nfs/dbraw/zinc/02/51/92/1416025192.db2.gz PZMPOQWLONHWHC-OALUTQOASA-N 2 1 347.547 2.881 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCC(C)(C)C ZINC001567255373 1416025197 /nfs/dbraw/zinc/02/51/97/1416025197.db2.gz PZMPOQWLONHWHC-OALUTQOASA-N 2 1 347.547 2.881 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001567256329 1416028302 /nfs/dbraw/zinc/02/83/02/1416028302.db2.gz FRPFVXZEJGRTAN-LJQANCHMSA-N 2 1 347.547 2.883 10 30 EFEEMP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001567265936 1416043779 /nfs/dbraw/zinc/04/37/79/1416043779.db2.gz DTAGIENWVKCLRE-UXHICEINSA-N 2 1 347.547 2.881 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001567415502 1416126034 /nfs/dbraw/zinc/12/60/34/1416126034.db2.gz KIDNLYHOVNTFAP-SFHVURJKSA-N 2 1 333.520 2.513 10 30 EFEEMP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001567627289 1416216090 /nfs/dbraw/zinc/21/60/90/1416216090.db2.gz RJQHWHIRYHTYJZ-FXAWDEMLSA-N 2 1 345.531 2.633 10 30 EFEEMP C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001567630009 1416216909 /nfs/dbraw/zinc/21/69/09/1416216909.db2.gz JFUIMKUDNLFOCF-QAPCUYQASA-N 2 1 344.503 2.547 10 30 EFEEMP C=CC[NH2+][C@H](C)C1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001567630715 1416217459 /nfs/dbraw/zinc/21/74/59/1416217459.db2.gz XTUVHYLDEFNDQJ-GOSISDBHSA-N 2 1 343.515 2.564 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001567715500 1416259262 /nfs/dbraw/zinc/25/92/62/1416259262.db2.gz KZRICKBHTIAFAT-RBUKOAKNSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001567734768 1416263571 /nfs/dbraw/zinc/26/35/71/1416263571.db2.gz FTLZXORFPLRKRP-SFHVURJKSA-N 2 1 343.515 2.761 10 30 EFEEMP C=CCCCCC[N@H+](C)C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001567735962 1416264507 /nfs/dbraw/zinc/26/45/07/1416264507.db2.gz HSLJIFLYHZXDJU-GOSISDBHSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001567738337 1416266110 /nfs/dbraw/zinc/26/61/10/1416266110.db2.gz FCUVTUAUJRURPM-GOSISDBHSA-N 2 1 329.488 2.718 10 30 EFEEMP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001567738338 1416266526 /nfs/dbraw/zinc/26/65/26/1416266526.db2.gz FCUVTUAUJRURPM-SFHVURJKSA-N 2 1 329.488 2.718 10 30 EFEEMP C=C(C)C[N@H+](C)CC1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001567751699 1416272860 /nfs/dbraw/zinc/27/28/60/1416272860.db2.gz PCULDLGMFWHQCJ-UHFFFAOYSA-N 2 1 332.492 2.718 10 30 EFEEMP C=C(C)C[N@@H+](C)CC1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001567751699 1416272866 /nfs/dbraw/zinc/27/28/66/1416272866.db2.gz PCULDLGMFWHQCJ-UHFFFAOYSA-N 2 1 332.492 2.718 10 30 EFEEMP C#CCC[NH2+]C[C@@]1(NC(=O)CCCn2cc[nH+]c2C)CCCC[C@@H]1C ZINC001568039764 1416371015 /nfs/dbraw/zinc/37/10/15/1416371015.db2.gz GSLZKXBJZMVXKJ-PXNSSMCTSA-N 2 1 344.503 2.650 10 30 EFEEMP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001568076821 1416398217 /nfs/dbraw/zinc/39/82/17/1416398217.db2.gz RUXSCWQINXLGMV-UYAOXDASSA-N 2 1 341.499 2.531 10 30 EFEEMP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001568110928 1416413869 /nfs/dbraw/zinc/41/38/69/1416413869.db2.gz WQKGLCVTNMLDKM-QWFCFKBJSA-N 2 1 345.531 2.824 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001568112462 1416414279 /nfs/dbraw/zinc/41/42/79/1416414279.db2.gz ZBNKDFFDNNRORU-IYARVYRRSA-N 2 1 332.492 2.955 10 30 EFEEMP C=CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+]3CCC1CC3)CC2 ZINC001568156196 1416428144 /nfs/dbraw/zinc/42/81/44/1416428144.db2.gz QJRYYFDZYNSANM-IBGZPJMESA-N 2 1 345.531 2.609 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001568300232 1416470185 /nfs/dbraw/zinc/47/01/85/1416470185.db2.gz NCXNWWZSLLLCCC-CRAIPNDOSA-N 2 1 327.488 2.602 10 30 EFEEMP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C1CCCCC1 ZINC001568344961 1416484624 /nfs/dbraw/zinc/48/46/24/1416484624.db2.gz AGKATKOXKIHRCJ-VQTJNVASSA-N 2 1 347.547 2.786 10 30 EFEEMP C=CCC[NH2+]CC[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001568395357 1416512164 /nfs/dbraw/zinc/51/21/64/1416512164.db2.gz SDYZHCOLVOTRCV-QGZVFWFLSA-N 2 1 332.492 2.943 10 30 EFEEMP C#CCC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)C1CC1 ZINC001689989098 1417123205 /nfs/dbraw/zinc/12/32/05/1417123205.db2.gz AFIICOFSBRCIKG-SFHVURJKSA-N 2 1 345.531 2.635 10 30 EFEEMP C#CCC[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001689989098 1417123209 /nfs/dbraw/zinc/12/32/09/1417123209.db2.gz AFIICOFSBRCIKG-SFHVURJKSA-N 2 1 345.531 2.635 10 30 EFEEMP C#CCC[NH+](CCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001689989098 1417123216 /nfs/dbraw/zinc/12/32/16/1417123216.db2.gz AFIICOFSBRCIKG-SFHVURJKSA-N 2 1 345.531 2.635 10 30 EFEEMP C=C(Cl)C[N@H+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C1CC1 ZINC001689994872 1417125361 /nfs/dbraw/zinc/12/53/61/1417125361.db2.gz MORYMXZLKUZWCO-DLBZAZTESA-N 2 1 339.911 2.727 10 30 EFEEMP C=C(Cl)C[N@@H+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C1CC1 ZINC001689994872 1417125363 /nfs/dbraw/zinc/12/53/63/1417125363.db2.gz MORYMXZLKUZWCO-DLBZAZTESA-N 2 1 339.911 2.727 10 30 EFEEMP C=C(Cl)C[NH+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C1CC1 ZINC001689994872 1417125368 /nfs/dbraw/zinc/12/53/68/1417125368.db2.gz MORYMXZLKUZWCO-DLBZAZTESA-N 2 1 339.911 2.727 10 30 EFEEMP C=C(Cl)C[NH+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C1CC1 ZINC001689994872 1417125370 /nfs/dbraw/zinc/12/53/70/1417125370.db2.gz MORYMXZLKUZWCO-DLBZAZTESA-N 2 1 339.911 2.727 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001690103793 1417154862 /nfs/dbraw/zinc/15/48/62/1417154862.db2.gz VMQLYIUAJWOXKB-IBGZPJMESA-N 2 1 329.488 2.561 10 30 EFEEMP CC#CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001690135881 1417162883 /nfs/dbraw/zinc/16/28/83/1417162883.db2.gz WTQIWPMORUMLPZ-QUCCMNQESA-N 2 1 345.531 2.730 10 30 EFEEMP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+](CCC)C1)c1ccccc1 ZINC001691791892 1417247894 /nfs/dbraw/zinc/24/78/94/1417247894.db2.gz JKMFLAIQJJOPAR-MOPGFXCFSA-N 2 1 329.488 2.742 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)CC(C)(C)C1 ZINC001692275382 1417273792 /nfs/dbraw/zinc/27/37/92/1417273792.db2.gz GDEZILKCVBTCIN-IRXDYDNUSA-N 2 1 341.515 2.849 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)CC(C)(C)C1 ZINC001692275381 1417273923 /nfs/dbraw/zinc/27/39/23/1417273923.db2.gz GDEZILKCVBTCIN-IAGOWNOFSA-N 2 1 341.515 2.849 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001698710476 1417316262 /nfs/dbraw/zinc/31/62/62/1417316262.db2.gz XZNPEGHTTLGWAB-VJANTYMQSA-N 2 1 333.520 2.987 10 30 EFEEMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)cc1 ZINC001698717775 1417319720 /nfs/dbraw/zinc/31/97/20/1417319720.db2.gz KCDLSPOGHHIHPM-MOPGFXCFSA-N 2 1 327.472 2.595 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCC(C)C)CCCC1 ZINC001698797572 1417336151 /nfs/dbraw/zinc/33/61/51/1417336151.db2.gz RGSWWSXAZCFLHH-SFHVURJKSA-N 2 1 333.520 2.539 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCC(C)C)CCCC1 ZINC001698797572 1417336158 /nfs/dbraw/zinc/33/61/58/1417336158.db2.gz RGSWWSXAZCFLHH-SFHVURJKSA-N 2 1 333.520 2.539 10 30 EFEEMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CCCC1 ZINC001698799991 1417336800 /nfs/dbraw/zinc/33/68/00/1417336800.db2.gz DDLXUROYANJMJZ-KRWDZBQOSA-N 2 1 344.503 2.739 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001698804310 1417337851 /nfs/dbraw/zinc/33/78/51/1417337851.db2.gz NOPUMSRGPHHWIA-KZNAEPCWSA-N 2 1 333.520 2.606 10 30 EFEEMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CCCC1 ZINC001698804099 1417338024 /nfs/dbraw/zinc/33/80/24/1417338024.db2.gz ROHZZGMITVSWQW-ZWKOTPCHSA-N 2 1 333.520 2.988 10 30 EFEEMP C=CCCC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]21 ZINC001699020251 1417372031 /nfs/dbraw/zinc/37/20/31/1417372031.db2.gz MRJFAPFJRZATIS-ROUUACIJSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]21 ZINC001699020251 1417372035 /nfs/dbraw/zinc/37/20/35/1417372035.db2.gz MRJFAPFJRZATIS-ROUUACIJSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]21 ZINC001699020251 1417372041 /nfs/dbraw/zinc/37/20/41/1417372041.db2.gz MRJFAPFJRZATIS-ROUUACIJSA-N 2 1 335.536 2.853 10 30 EFEEMP CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001699021428 1417373114 /nfs/dbraw/zinc/37/31/14/1417373114.db2.gz JSOWMGQNQKRYPL-SJLPKXTDSA-N 2 1 333.520 2.537 10 30 EFEEMP C=CCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001699684352 1417451860 /nfs/dbraw/zinc/45/18/60/1417451860.db2.gz RNLCVZJHOONDFX-QYZOEREBSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001699684352 1417451861 /nfs/dbraw/zinc/45/18/61/1417451861.db2.gz RNLCVZJHOONDFX-QYZOEREBSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001699684352 1417451862 /nfs/dbraw/zinc/45/18/62/1417451862.db2.gz RNLCVZJHOONDFX-QYZOEREBSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+](C)CCCCCC)C2)C1 ZINC001699696026 1417456869 /nfs/dbraw/zinc/45/68/69/1417456869.db2.gz YBXBTNLSBZJNFO-HXUWFJFHSA-N 2 1 335.536 2.999 10 30 EFEEMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)CCCCCC)C2)C1 ZINC001699696026 1417456871 /nfs/dbraw/zinc/45/68/71/1417456871.db2.gz YBXBTNLSBZJNFO-HXUWFJFHSA-N 2 1 335.536 2.999 10 30 EFEEMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)CCCCCC)C2)C1 ZINC001699696026 1417456875 /nfs/dbraw/zinc/45/68/75/1417456875.db2.gz YBXBTNLSBZJNFO-HXUWFJFHSA-N 2 1 335.536 2.999 10 30 EFEEMP CC#CC[NH+]1CCC(C)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001699867056 1417485505 /nfs/dbraw/zinc/48/55/05/1417485505.db2.gz QQFWBDIOIBQYPF-LJQANCHMSA-N 2 1 341.499 2.531 10 30 EFEEMP C=CC[N@H+]1CCC[C@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001699874701 1417490428 /nfs/dbraw/zinc/49/04/28/1417490428.db2.gz PMJZBHOWJZCUGO-VQIMIIECSA-N 2 1 332.492 2.801 10 30 EFEEMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001699874701 1417490430 /nfs/dbraw/zinc/49/04/30/1417490430.db2.gz PMJZBHOWJZCUGO-VQIMIIECSA-N 2 1 332.492 2.801 10 30 EFEEMP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001699879768 1417494916 /nfs/dbraw/zinc/49/49/16/1417494916.db2.gz XPTKFRKVXMTEOJ-FPOVZHCZSA-N 2 1 341.499 2.531 10 30 EFEEMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001699879768 1417494918 /nfs/dbraw/zinc/49/49/18/1417494918.db2.gz XPTKFRKVXMTEOJ-FPOVZHCZSA-N 2 1 341.499 2.531 10 30 EFEEMP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001699980180 1417535808 /nfs/dbraw/zinc/53/58/08/1417535808.db2.gz WUZBSODGUNGTNR-WTGUMLROSA-N 2 1 345.531 2.539 10 30 EFEEMP C=CC[N@H+](C)Cc1ccccc1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001700089654 1417561862 /nfs/dbraw/zinc/56/18/62/1417561862.db2.gz DVKTZQMXEPNOHB-UHFFFAOYSA-N 2 1 329.488 2.795 10 30 EFEEMP C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)C1CC[NH+](C)CC1 ZINC001700090543 1417562743 /nfs/dbraw/zinc/56/27/43/1417562743.db2.gz HFIQBIZINMMQPC-UHFFFAOYSA-N 2 1 329.488 2.653 10 30 EFEEMP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)cc1 ZINC001700094861 1417565313 /nfs/dbraw/zinc/56/53/13/1417565313.db2.gz OIOSOWHXZBVGJW-LSTHTHJFSA-N 2 1 341.499 2.707 10 30 EFEEMP C=C(C)CC[N@@H+]1CCc2c(CNC(=O)[C@H](CC)[NH+](C)C)cccc2C1 ZINC001700123259 1417573900 /nfs/dbraw/zinc/57/39/00/1417573900.db2.gz YXIBNIXSIHEIDJ-FQEVSTJZSA-N 2 1 343.515 2.967 10 30 EFEEMP C=CCCCCC[N@@H+](C)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001700695064 1417616271 /nfs/dbraw/zinc/61/62/71/1417616271.db2.gz WGLHGXKBNSBLII-UHFFFAOYSA-N 2 1 332.492 2.861 10 30 EFEEMP C=CCCCCC[N@H+](C)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001700695064 1417616277 /nfs/dbraw/zinc/61/62/77/1417616277.db2.gz WGLHGXKBNSBLII-UHFFFAOYSA-N 2 1 332.492 2.861 10 30 EFEEMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1(C)C ZINC001700942192 1417691305 /nfs/dbraw/zinc/69/13/05/1417691305.db2.gz LKOQTZALHUKVSV-RBUKOAKNSA-N 2 1 345.531 2.633 10 30 EFEEMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001713132575 1418334483 /nfs/dbraw/zinc/33/44/83/1418334483.db2.gz BJKKRQMHMAKVMV-ICSRJNTNSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001713132575 1418334486 /nfs/dbraw/zinc/33/44/86/1418334486.db2.gz BJKKRQMHMAKVMV-ICSRJNTNSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001713132575 1418334489 /nfs/dbraw/zinc/33/44/89/1418334489.db2.gz BJKKRQMHMAKVMV-ICSRJNTNSA-N 2 1 345.531 2.587 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001713220081 1418392835 /nfs/dbraw/zinc/39/28/35/1418392835.db2.gz DVZJFXDCYZAHCW-KRWDZBQOSA-N 2 1 332.492 2.801 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001713220081 1418392842 /nfs/dbraw/zinc/39/28/42/1418392842.db2.gz DVZJFXDCYZAHCW-KRWDZBQOSA-N 2 1 332.492 2.801 10 30 EFEEMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001713259502 1418428922 /nfs/dbraw/zinc/42/89/22/1418428922.db2.gz UVPPUMJNCYQCCI-RTBURBONSA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001713259502 1418428928 /nfs/dbraw/zinc/42/89/28/1418428928.db2.gz UVPPUMJNCYQCCI-RTBURBONSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001713265980 1418432940 /nfs/dbraw/zinc/43/29/40/1418432940.db2.gz CJXMTTYLJINZFV-ZWKOTPCHSA-N 2 1 344.503 2.691 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@H+](C)CCCCCC ZINC001713271293 1418438613 /nfs/dbraw/zinc/43/86/13/1418438613.db2.gz IEKVVEBKZWPXGR-PMACEKPBSA-N 2 1 347.547 2.977 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)CCCCCC ZINC001713271293 1418438615 /nfs/dbraw/zinc/43/86/15/1418438615.db2.gz IEKVVEBKZWPXGR-PMACEKPBSA-N 2 1 347.547 2.977 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)CCCCCC ZINC001713271293 1418438617 /nfs/dbraw/zinc/43/86/17/1418438617.db2.gz IEKVVEBKZWPXGR-PMACEKPBSA-N 2 1 347.547 2.977 10 30 EFEEMP C#CC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@H+](C)CCCCCC ZINC001713271294 1418438886 /nfs/dbraw/zinc/43/88/86/1418438886.db2.gz IEKVVEBKZWPXGR-UXHICEINSA-N 2 1 347.547 2.977 10 30 EFEEMP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)CCCCCC ZINC001713271294 1418438888 /nfs/dbraw/zinc/43/88/88/1418438888.db2.gz IEKVVEBKZWPXGR-UXHICEINSA-N 2 1 347.547 2.977 10 30 EFEEMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)CCCCCC ZINC001713271294 1418438889 /nfs/dbraw/zinc/43/88/89/1418438889.db2.gz IEKVVEBKZWPXGR-UXHICEINSA-N 2 1 347.547 2.977 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001713277406 1418447612 /nfs/dbraw/zinc/44/76/12/1418447612.db2.gz IJWAAKLVFNEEPG-MOPGFXCFSA-N 2 1 335.536 2.901 10 30 EFEEMP C#CCC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001713287244 1418455415 /nfs/dbraw/zinc/45/54/15/1418455415.db2.gz VILDGLPMFFPROE-LMDPOFIKSA-N 2 1 345.531 2.681 10 30 EFEEMP CC#CC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001713289444 1418456670 /nfs/dbraw/zinc/45/66/70/1418456670.db2.gz WQKGLCVTNMLDKM-AFMYVXGZSA-N 2 1 345.531 2.824 10 30 EFEEMP C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001713395225 1418504998 /nfs/dbraw/zinc/50/49/98/1418504998.db2.gz DTEIVXQGINZBHO-HKUYNNGSSA-N 2 1 344.503 2.643 10 30 EFEEMP C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001713395225 1418505002 /nfs/dbraw/zinc/50/50/02/1418505002.db2.gz DTEIVXQGINZBHO-HKUYNNGSSA-N 2 1 344.503 2.643 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001713409633 1418513579 /nfs/dbraw/zinc/51/35/79/1418513579.db2.gz DARJOBGTQBGHFU-MJGOQNOKSA-N 2 1 345.531 2.539 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001713409633 1418513584 /nfs/dbraw/zinc/51/35/84/1418513584.db2.gz DARJOBGTQBGHFU-MJGOQNOKSA-N 2 1 345.531 2.539 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001715935212 1418697499 /nfs/dbraw/zinc/69/74/99/1418697499.db2.gz UPXPPZSQWYOAOX-VKJFTORMSA-N 2 1 347.890 2.593 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001715935212 1418697501 /nfs/dbraw/zinc/69/75/01/1418697501.db2.gz UPXPPZSQWYOAOX-VKJFTORMSA-N 2 1 347.890 2.593 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCC1CCCCCC1 ZINC001716440934 1418883929 /nfs/dbraw/zinc/88/39/29/1418883929.db2.gz YWCNKIWQKQLOQW-HKUYNNGSSA-N 2 1 333.520 2.539 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCC1CCCCCC1 ZINC001716440934 1418883933 /nfs/dbraw/zinc/88/39/33/1418883933.db2.gz YWCNKIWQKQLOQW-HKUYNNGSSA-N 2 1 333.520 2.539 10 30 EFEEMP C=CCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1CC ZINC001716639494 1418934528 /nfs/dbraw/zinc/93/45/28/1418934528.db2.gz OIWPYOPIMIUDSJ-SJORKVTESA-N 2 1 332.492 2.799 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001716668091 1418950549 /nfs/dbraw/zinc/95/05/49/1418950549.db2.gz NNSDWZCFYBBKEZ-APWZRJJASA-N 2 1 333.520 2.654 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC001716712382 1418968411 /nfs/dbraw/zinc/96/84/11/1418968411.db2.gz IUMLNDOYFPGGMJ-KSZLIROESA-N 2 1 331.504 2.502 10 30 EFEEMP C=CCCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001716730708 1418980144 /nfs/dbraw/zinc/98/01/44/1418980144.db2.gz FUJLILQJNLVYFI-FPOVZHCZSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001716730708 1418980145 /nfs/dbraw/zinc/98/01/45/1418980145.db2.gz FUJLILQJNLVYFI-FPOVZHCZSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001716730708 1418980147 /nfs/dbraw/zinc/98/01/47/1418980147.db2.gz FUJLILQJNLVYFI-FPOVZHCZSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001716731482 1418981372 /nfs/dbraw/zinc/98/13/72/1418981372.db2.gz MWVJURFTNZOJJS-UYAOXDASSA-N 2 1 345.531 2.894 10 30 EFEEMP C#CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001716808938 1419022848 /nfs/dbraw/zinc/02/28/48/1419022848.db2.gz NGZCNMIZXYAYGJ-GOSISDBHSA-N 2 1 349.563 2.937 10 30 EFEEMP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1CCCC1 ZINC001716822372 1419031609 /nfs/dbraw/zinc/03/16/09/1419031609.db2.gz KTNJUAHXDPIOSP-RBUKOAKNSA-N 2 1 333.520 2.537 10 30 EFEEMP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1CCCC1 ZINC001716822370 1419031840 /nfs/dbraw/zinc/03/18/40/1419031840.db2.gz KTNJUAHXDPIOSP-MOPGFXCFSA-N 2 1 333.520 2.537 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CC(CC)CC)CC1 ZINC001716885260 1419074742 /nfs/dbraw/zinc/07/47/42/1419074742.db2.gz JUXNJLFZELSKQZ-IBGZPJMESA-N 2 1 347.547 2.739 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CC(CC)CC)CC1 ZINC001716885260 1419074747 /nfs/dbraw/zinc/07/47/47/1419074747.db2.gz JUXNJLFZELSKQZ-IBGZPJMESA-N 2 1 347.547 2.739 10 30 EFEEMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001716896421 1419082702 /nfs/dbraw/zinc/08/27/02/1419082702.db2.gz NEWNKBIPAHEUEG-NRFANRHFSA-N 2 1 347.547 2.883 10 30 EFEEMP CC#CC[NH+]1CCC[C@@](C)(CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001716896421 1419082704 /nfs/dbraw/zinc/08/27/04/1419082704.db2.gz NEWNKBIPAHEUEG-NRFANRHFSA-N 2 1 347.547 2.883 10 30 EFEEMP CC#CC[NH+]1CCC[C@@](C)(CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001716896421 1419082708 /nfs/dbraw/zinc/08/27/08/1419082708.db2.gz NEWNKBIPAHEUEG-NRFANRHFSA-N 2 1 347.547 2.883 10 30 EFEEMP C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001716912594 1419095383 /nfs/dbraw/zinc/09/53/83/1419095383.db2.gz LAESYJFDQGZNEB-MRXNPFEDSA-N 2 1 343.462 2.512 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]C[C@H](C)CC)CC1 ZINC001717002268 1419137906 /nfs/dbraw/zinc/13/79/06/1419137906.db2.gz RWNFWTHENKRACH-WTGUMLROSA-N 2 1 347.547 2.642 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]C[C@H](C)CC)CC1 ZINC001717002268 1419137911 /nfs/dbraw/zinc/13/79/11/1419137911.db2.gz RWNFWTHENKRACH-WTGUMLROSA-N 2 1 347.547 2.642 10 30 EFEEMP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001717101281 1419208780 /nfs/dbraw/zinc/20/87/80/1419208780.db2.gz IZWXYNOHRDJRKC-SJORKVTESA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(C)C[NH+]1CCc2c(CNC(=O)C[N@H+](C)C3CCC3)cccc2C1 ZINC001717143164 1419234104 /nfs/dbraw/zinc/23/41/04/1419234104.db2.gz AADWWOBHZOWXSB-UHFFFAOYSA-N 2 1 341.499 2.721 10 30 EFEEMP C=C(C)C[N@H+]1CCc2c(CNC(=O)C[NH+](C)C3CCC3)cccc2C1 ZINC001717143164 1419234105 /nfs/dbraw/zinc/23/41/05/1419234105.db2.gz AADWWOBHZOWXSB-UHFFFAOYSA-N 2 1 341.499 2.721 10 30 EFEEMP C=C(C)C[N@@H+]1CCc2c(CNC(=O)C[NH+](C)C3CCC3)cccc2C1 ZINC001717143164 1419234106 /nfs/dbraw/zinc/23/41/06/1419234106.db2.gz AADWWOBHZOWXSB-UHFFFAOYSA-N 2 1 341.499 2.721 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001717145990 1419236926 /nfs/dbraw/zinc/23/69/26/1419236926.db2.gz JKZSIARYIMFSSP-LJQANCHMSA-N 2 1 329.488 2.665 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001717145990 1419236928 /nfs/dbraw/zinc/23/69/28/1419236928.db2.gz JKZSIARYIMFSSP-LJQANCHMSA-N 2 1 329.488 2.665 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CC(CC)CC)CC1 ZINC001717238298 1419281494 /nfs/dbraw/zinc/28/14/94/1419281494.db2.gz PYLKCIZMILTAEA-IBGZPJMESA-N 2 1 347.547 2.881 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CC(CC)CC)CC1 ZINC001717238298 1419281496 /nfs/dbraw/zinc/28/14/96/1419281496.db2.gz PYLKCIZMILTAEA-IBGZPJMESA-N 2 1 347.547 2.881 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001717247442 1419291107 /nfs/dbraw/zinc/29/11/07/1419291107.db2.gz HPURYIIMLMHNEP-HXUWFJFHSA-N 2 1 335.536 2.999 10 30 EFEEMP C=CCCC[NH+]1Cc2ccc(CNC(=O)C[C@H]3CC[N@H+](C)C3)cc2C1 ZINC001717270892 1419300202 /nfs/dbraw/zinc/30/02/02/1419300202.db2.gz PCRIMGHCDILTRL-GOSISDBHSA-N 2 1 341.499 2.926 10 30 EFEEMP C=CCCC[N@H+]1Cc2ccc(CNC(=O)C[C@H]3CC[NH+](C)C3)cc2C1 ZINC001717270892 1419300206 /nfs/dbraw/zinc/30/02/06/1419300206.db2.gz PCRIMGHCDILTRL-GOSISDBHSA-N 2 1 341.499 2.926 10 30 EFEEMP C=CCCC[N@@H+]1Cc2ccc(CNC(=O)C[C@H]3CC[NH+](C)C3)cc2C1 ZINC001717270892 1419300210 /nfs/dbraw/zinc/30/02/10/1419300210.db2.gz PCRIMGHCDILTRL-GOSISDBHSA-N 2 1 341.499 2.926 10 30 EFEEMP C=CC[NH+]1Cc2ccc(CNC(=O)C[N@@H+](C)CC(C)(C)C)cc2C1 ZINC001717270609 1419300766 /nfs/dbraw/zinc/30/07/66/1419300766.db2.gz FQVLAVNKXLJDQD-UHFFFAOYSA-N 2 1 329.488 2.782 10 30 EFEEMP C=CC[NH+]1Cc2ccc(CNC(=O)C[N@H+](C)CC(C)(C)C)cc2C1 ZINC001717270609 1419300768 /nfs/dbraw/zinc/30/07/68/1419300768.db2.gz FQVLAVNKXLJDQD-UHFFFAOYSA-N 2 1 329.488 2.782 10 30 EFEEMP C=CC[N@H+]1Cc2ccc(CNC(=O)C[NH+](C)CC(C)(C)C)cc2C1 ZINC001717270609 1419300771 /nfs/dbraw/zinc/30/07/71/1419300771.db2.gz FQVLAVNKXLJDQD-UHFFFAOYSA-N 2 1 329.488 2.782 10 30 EFEEMP C=CC[N@@H+]1Cc2ccc(CNC(=O)C[NH+](C)CC(C)(C)C)cc2C1 ZINC001717270609 1419300773 /nfs/dbraw/zinc/30/07/73/1419300773.db2.gz FQVLAVNKXLJDQD-UHFFFAOYSA-N 2 1 329.488 2.782 10 30 EFEEMP C=C(C)CC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001717297622 1419313210 /nfs/dbraw/zinc/31/32/10/1419313210.db2.gz BLDMSQDLMMIHNS-ZWKOTPCHSA-N 2 1 333.520 2.940 10 30 EFEEMP C#CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001717300637 1419314677 /nfs/dbraw/zinc/31/46/77/1419314677.db2.gz NLXXNWGWBQFDPK-IBGZPJMESA-N 2 1 345.531 2.778 10 30 EFEEMP C#CCC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C(C)(C)C1 ZINC001717309726 1419321396 /nfs/dbraw/zinc/32/13/96/1419321396.db2.gz SAYQZMSWQJCHJO-IBGZPJMESA-N 2 1 347.547 2.881 10 30 EFEEMP C#CCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C(C)(C)C1 ZINC001717309726 1419321398 /nfs/dbraw/zinc/32/13/98/1419321398.db2.gz SAYQZMSWQJCHJO-IBGZPJMESA-N 2 1 347.547 2.881 10 30 EFEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C(C)(C)C1 ZINC001717309726 1419321401 /nfs/dbraw/zinc/32/14/01/1419321401.db2.gz SAYQZMSWQJCHJO-IBGZPJMESA-N 2 1 347.547 2.881 10 30 EFEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC001717310906 1419322280 /nfs/dbraw/zinc/32/22/80/1419322280.db2.gz PWKBPMDCKMJRMG-BZSNNMDCSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC001717310906 1419322281 /nfs/dbraw/zinc/32/22/81/1419322281.db2.gz PWKBPMDCKMJRMG-BZSNNMDCSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC001717310906 1419322284 /nfs/dbraw/zinc/32/22/84/1419322284.db2.gz PWKBPMDCKMJRMG-BZSNNMDCSA-N 2 1 335.536 2.900 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@@H](C)c1cccc(C)c1 ZINC001717340922 1419341654 /nfs/dbraw/zinc/34/16/54/1419341654.db2.gz JOGHCPVUESXYQY-BJLQDIEVSA-N 2 1 341.499 2.638 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@@H](C)c1cccc(C)c1 ZINC001717340922 1419341658 /nfs/dbraw/zinc/34/16/58/1419341658.db2.gz JOGHCPVUESXYQY-BJLQDIEVSA-N 2 1 341.499 2.638 10 30 EFEEMP C=CC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001717357632 1419352315 /nfs/dbraw/zinc/35/23/15/1419352315.db2.gz YNLOIWQKCWBAIV-OALUTQOASA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001717375446 1419367804 /nfs/dbraw/zinc/36/78/04/1419367804.db2.gz YCZLRAALHPKEPE-MSOLQXFVSA-N 2 1 344.503 2.643 10 30 EFEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001717375446 1419367808 /nfs/dbraw/zinc/36/78/08/1419367808.db2.gz YCZLRAALHPKEPE-MSOLQXFVSA-N 2 1 344.503 2.643 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)[C@@H](C)CCC=C)CC1 ZINC001717376571 1419367985 /nfs/dbraw/zinc/36/79/85/1419367985.db2.gz UCCICDXJBDEWOD-ICSRJNTNSA-N 2 1 345.531 2.609 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001717377285 1419369455 /nfs/dbraw/zinc/36/94/55/1419369455.db2.gz AYTLWYGYBSVYFW-RTBURBONSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001717377285 1419369459 /nfs/dbraw/zinc/36/94/59/1419369459.db2.gz AYTLWYGYBSVYFW-RTBURBONSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001717377285 1419369464 /nfs/dbraw/zinc/36/94/64/1419369464.db2.gz AYTLWYGYBSVYFW-RTBURBONSA-N 2 1 335.536 2.855 10 30 EFEEMP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001717435748 1419393691 /nfs/dbraw/zinc/39/36/91/1419393691.db2.gz VCBSHYQNFWDOGW-HOTGVXAUSA-N 2 1 349.906 2.516 10 30 EFEEMP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001717435747 1419393846 /nfs/dbraw/zinc/39/38/46/1419393846.db2.gz VCBSHYQNFWDOGW-CVEARBPZSA-N 2 1 349.906 2.516 10 30 EFEEMP C#CCC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC001717514578 1419422524 /nfs/dbraw/zinc/42/25/24/1419422524.db2.gz UGYZVGMRDXIECL-UXHICEINSA-N 2 1 347.547 2.879 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[C@H]([NH2+]CC=C(C)C)C(C)C ZINC001717514128 1419422656 /nfs/dbraw/zinc/42/26/56/1419422656.db2.gz JOYKTNQFMMZWDQ-OALUTQOASA-N 2 1 333.520 2.513 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[C@H]([NH2+]CC=C(C)C)C(C)C ZINC001717514128 1419422657 /nfs/dbraw/zinc/42/26/57/1419422657.db2.gz JOYKTNQFMMZWDQ-OALUTQOASA-N 2 1 333.520 2.513 10 30 EFEEMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001717538954 1419434461 /nfs/dbraw/zinc/43/44/61/1419434461.db2.gz WCNSKUZEGQETCI-SFHVURJKSA-N 2 1 333.520 2.633 10 30 EFEEMP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001717538954 1419434465 /nfs/dbraw/zinc/43/44/65/1419434465.db2.gz WCNSKUZEGQETCI-SFHVURJKSA-N 2 1 333.520 2.633 10 30 EFEEMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001717538954 1419434467 /nfs/dbraw/zinc/43/44/67/1419434467.db2.gz WCNSKUZEGQETCI-SFHVURJKSA-N 2 1 333.520 2.633 10 30 EFEEMP C=CCCCCC[N@@H+]1CCCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001717629657 1419477993 /nfs/dbraw/zinc/47/79/93/1419477993.db2.gz VZSXUHNJLQVSII-UHFFFAOYSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001717629822 1419478478 /nfs/dbraw/zinc/47/84/78/1419478478.db2.gz XOQCUXFTANUTQK-QZTJIDSGSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCCC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001717629822 1419478480 /nfs/dbraw/zinc/47/84/80/1419478480.db2.gz XOQCUXFTANUTQK-QZTJIDSGSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCCC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001717629822 1419478484 /nfs/dbraw/zinc/47/84/84/1419478484.db2.gz XOQCUXFTANUTQK-QZTJIDSGSA-N 2 1 333.520 2.607 10 30 EFEEMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)CCC[NH+](CCC)CCC)C[C@@]2(C)C1 ZINC001717632958 1419480998 /nfs/dbraw/zinc/48/09/98/1419480998.db2.gz XRWPTRVJNLOSRB-OYRHEFFESA-N 2 1 347.547 2.692 10 30 EFEEMP C=CCCC[N@H+](C)C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001717703936 1419516699 /nfs/dbraw/zinc/51/66/99/1419516699.db2.gz DJYSXZDHOGTVKT-UHFFFAOYSA-N 2 1 332.492 2.861 10 30 EFEEMP C=CCCC[N@@H+](C)C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001717703936 1419516695 /nfs/dbraw/zinc/51/66/95/1419516695.db2.gz DJYSXZDHOGTVKT-UHFFFAOYSA-N 2 1 332.492 2.861 10 30 EFEEMP C=CCCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001717743391 1419533201 /nfs/dbraw/zinc/53/32/01/1419533201.db2.gz FYUSTRXVJBVPSJ-RLLQIKCJSA-N 2 1 343.515 2.735 10 30 EFEEMP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(C)(C)C ZINC001717958791 1419629409 /nfs/dbraw/zinc/62/94/09/1419629409.db2.gz ILYCAUBPRSJUHX-IEBWSBKVSA-N 2 1 347.547 2.785 10 30 EFEEMP C=CC[NH2+]Cc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)c(F)c1 ZINC001718034965 1419672730 /nfs/dbraw/zinc/67/27/30/1419672730.db2.gz VDMXHZQXSHGEQP-KRWDZBQOSA-N 2 1 333.451 2.592 10 30 EFEEMP C=CCCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001723610582 1424536929 /nfs/dbraw/zinc/53/69/29/1424536929.db2.gz ZWWIRBYPYPBTRE-RBUKOAKNSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001723610582 1424536932 /nfs/dbraw/zinc/53/69/32/1424536932.db2.gz ZWWIRBYPYPBTRE-RBUKOAKNSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001723610582 1424536936 /nfs/dbraw/zinc/53/69/36/1424536936.db2.gz ZWWIRBYPYPBTRE-RBUKOAKNSA-N 2 1 333.520 2.607 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)C[NH+](CC)CC ZINC001723632670 1424541389 /nfs/dbraw/zinc/54/13/89/1424541389.db2.gz LBRUSCVSMUBNJB-FGTMMUONSA-N 2 1 339.499 2.698 10 30 EFEEMP C#CCC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)C1CCCCCC1 ZINC001723640989 1424544970 /nfs/dbraw/zinc/54/49/70/1424544970.db2.gz PJDPXAURTTXSAQ-UHFFFAOYSA-N 2 1 333.520 2.635 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001723678922 1424554765 /nfs/dbraw/zinc/55/47/65/1424554765.db2.gz GKKNCHKEGLXOOV-UYAOXDASSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CCC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001723678920 1424555261 /nfs/dbraw/zinc/55/52/61/1424555261.db2.gz GKKNCHKEGLXOOV-ICSRJNTNSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001723680298 1424556381 /nfs/dbraw/zinc/55/63/81/1424556381.db2.gz NWRWWQQIQXHXCA-LJQANCHMSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[NH+]1CC[C@]2(CCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001723722926 1424569933 /nfs/dbraw/zinc/56/99/33/1424569933.db2.gz YUQSCJXUJRTSHG-FQEVSTJZSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001723722926 1424569936 /nfs/dbraw/zinc/56/99/36/1424569936.db2.gz YUQSCJXUJRTSHG-FQEVSTJZSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001723722926 1424569940 /nfs/dbraw/zinc/56/99/40/1424569940.db2.gz YUQSCJXUJRTSHG-FQEVSTJZSA-N 2 1 335.536 2.855 10 30 EFEEMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001723742049 1424572278 /nfs/dbraw/zinc/57/22/78/1424572278.db2.gz IVENBOQIYAKOOZ-NRFANRHFSA-N 2 1 345.531 2.589 10 30 EFEEMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001723742049 1424572284 /nfs/dbraw/zinc/57/22/84/1424572284.db2.gz IVENBOQIYAKOOZ-NRFANRHFSA-N 2 1 345.531 2.589 10 30 EFEEMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001723742049 1424572289 /nfs/dbraw/zinc/57/22/89/1424572289.db2.gz IVENBOQIYAKOOZ-NRFANRHFSA-N 2 1 345.531 2.589 10 30 EFEEMP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C1CCCC1 ZINC001724094273 1424654143 /nfs/dbraw/zinc/65/41/43/1424654143.db2.gz HITWNZIGBLOPGQ-WOJBJXKFSA-N 2 1 345.531 2.681 10 30 EFEEMP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001724273741 1424719750 /nfs/dbraw/zinc/71/97/50/1424719750.db2.gz RQUGHEWNVFEJKF-UYAOXDASSA-N 2 1 329.488 2.694 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001724322388 1424732378 /nfs/dbraw/zinc/73/23/78/1424732378.db2.gz CJKGPNNLDYTQQC-IBGZPJMESA-N 2 1 347.528 2.665 10 30 EFEEMP C=CCC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001724332263 1424738672 /nfs/dbraw/zinc/73/86/72/1424738672.db2.gz ZWLZIIIHPFMKFI-AZUAARDMSA-N 2 1 335.536 2.903 10 30 EFEEMP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001724332263 1424738681 /nfs/dbraw/zinc/73/86/81/1424738681.db2.gz ZWLZIIIHPFMKFI-AZUAARDMSA-N 2 1 335.536 2.903 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001724332263 1424738689 /nfs/dbraw/zinc/73/86/89/1424738689.db2.gz ZWLZIIIHPFMKFI-AZUAARDMSA-N 2 1 335.536 2.903 10 30 EFEEMP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001724381159 1424753134 /nfs/dbraw/zinc/75/31/34/1424753134.db2.gz GXXNFRPMHKIKPG-INIZCTEOSA-N 2 1 343.462 2.512 10 30 EFEEMP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1CC ZINC001724511104 1424775648 /nfs/dbraw/zinc/77/56/48/1424775648.db2.gz FWDXKBXQXQMZJP-IEBWSBKVSA-N 2 1 329.488 2.524 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001724607094 1424825428 /nfs/dbraw/zinc/82/54/28/1424825428.db2.gz NMZAPPFZPHCHKP-GUDVDZBRSA-N 2 1 335.536 2.949 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001724654050 1424885633 /nfs/dbraw/zinc/88/56/33/1424885633.db2.gz SDBACVGEEHXAAJ-GUDVDZBRSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CCC ZINC001724654050 1424885638 /nfs/dbraw/zinc/88/56/38/1424885638.db2.gz SDBACVGEEHXAAJ-GUDVDZBRSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CCC ZINC001724654050 1424885645 /nfs/dbraw/zinc/88/56/45/1424885645.db2.gz SDBACVGEEHXAAJ-GUDVDZBRSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001724654060 1424885964 /nfs/dbraw/zinc/88/59/64/1424885964.db2.gz SDBACVGEEHXAAJ-OTWHNJEPSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001724654060 1424885966 /nfs/dbraw/zinc/88/59/66/1424885966.db2.gz SDBACVGEEHXAAJ-OTWHNJEPSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001724654060 1424885970 /nfs/dbraw/zinc/88/59/70/1424885970.db2.gz SDBACVGEEHXAAJ-OTWHNJEPSA-N 2 1 333.520 2.892 10 30 EFEEMP C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001724655224 1424888033 /nfs/dbraw/zinc/88/80/33/1424888033.db2.gz CRCPWMBPLXNNRB-OKZBNKHCSA-N 2 1 339.499 2.555 10 30 EFEEMP C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001724655226 1424888380 /nfs/dbraw/zinc/88/83/80/1424888380.db2.gz CRCPWMBPLXNNRB-RCCFBDPRSA-N 2 1 339.499 2.555 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001724654814 1424888479 /nfs/dbraw/zinc/88/84/79/1424888479.db2.gz JVJTUWJLVHVEAU-ZWKOTPCHSA-N 2 1 333.520 2.892 10 30 EFEEMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001724659503 1424900163 /nfs/dbraw/zinc/90/01/63/1424900163.db2.gz VNSORSZHMJGIGK-WOJBJXKFSA-N 2 1 345.531 2.730 10 30 EFEEMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001724659503 1424900166 /nfs/dbraw/zinc/90/01/66/1424900166.db2.gz VNSORSZHMJGIGK-WOJBJXKFSA-N 2 1 345.531 2.730 10 30 EFEEMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001724659503 1424900173 /nfs/dbraw/zinc/90/01/73/1424900173.db2.gz VNSORSZHMJGIGK-WOJBJXKFSA-N 2 1 345.531 2.730 10 30 EFEEMP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001724749570 1424979186 /nfs/dbraw/zinc/97/91/86/1424979186.db2.gz NONWXFFOKOQEEG-YLJYHZDGSA-N 2 1 341.499 2.850 10 30 EFEEMP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001724752205 1424981591 /nfs/dbraw/zinc/98/15/91/1424981591.db2.gz PXVOLRYDESFZIG-NCXUSEDFSA-N 2 1 333.520 2.844 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001724758877 1424989366 /nfs/dbraw/zinc/98/93/66/1424989366.db2.gz XRUKBNBHCFYQHO-QGZVFWFLSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCCC[NH+]1CCc2c(CNC(=O)C[N@H+](C)C(C)C)cccc2C1 ZINC001724776667 1425004837 /nfs/dbraw/zinc/00/48/37/1425004837.db2.gz LRKXDDGQIPVHLF-UHFFFAOYSA-N 2 1 343.515 2.967 10 30 EFEEMP C=CCCC[N@H+]1CCc2c(CNC(=O)C[NH+](C)C(C)C)cccc2C1 ZINC001724776667 1425004851 /nfs/dbraw/zinc/00/48/51/1425004851.db2.gz LRKXDDGQIPVHLF-UHFFFAOYSA-N 2 1 343.515 2.967 10 30 EFEEMP C=CCCC[N@@H+]1CCc2c(CNC(=O)C[NH+](C)C(C)C)cccc2C1 ZINC001724776667 1425004861 /nfs/dbraw/zinc/00/48/61/1425004861.db2.gz LRKXDDGQIPVHLF-UHFFFAOYSA-N 2 1 343.515 2.967 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCC(C)C)[C@@H](C)C2)CC1 ZINC001725000083 1425214056 /nfs/dbraw/zinc/21/40/56/1425214056.db2.gz FZNAXQLTPMOBNX-ICSRJNTNSA-N 2 1 347.547 2.737 10 30 EFEEMP C#CCC[N@H+](CC)CC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001725026305 1425236698 /nfs/dbraw/zinc/23/66/98/1425236698.db2.gz KVRXZVBLZCMPTP-IBGZPJMESA-N 2 1 347.547 2.835 10 30 EFEEMP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001725025632 1425236939 /nfs/dbraw/zinc/23/69/39/1425236939.db2.gz HZQOGSOXJZSKNR-HDICACEKSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)C[NH+](CC)CC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001725025632 1425236942 /nfs/dbraw/zinc/23/69/42/1425236942.db2.gz HZQOGSOXJZSKNR-HDICACEKSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)C[NH+](CC)CC1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001725025632 1425236944 /nfs/dbraw/zinc/23/69/44/1425236944.db2.gz HZQOGSOXJZSKNR-HDICACEKSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001725059001 1425270567 /nfs/dbraw/zinc/27/05/67/1425270567.db2.gz NEAZZRVBCOHGAZ-RBUKOAKNSA-N 2 1 347.547 2.855 10 30 EFEEMP C#CCC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001725211008 1425380115 /nfs/dbraw/zinc/38/01/15/1425380115.db2.gz AQRHUTOILCDKQW-RBUKOAKNSA-N 2 1 335.536 2.735 10 30 EFEEMP C=C(C)C[NH2+]CC1(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CCCCC1 ZINC001725229096 1425394101 /nfs/dbraw/zinc/39/41/01/1425394101.db2.gz YNUKRJRLYJUBEC-QGZVFWFLSA-N 2 1 344.503 2.739 10 30 EFEEMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001725271053 1425427814 /nfs/dbraw/zinc/42/78/14/1425427814.db2.gz XYVJAOVHPIRTSC-LPHOPBHVSA-N 2 1 329.488 2.692 10 30 EFEEMP C=CCCC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC001725288263 1425442962 /nfs/dbraw/zinc/44/29/62/1425442962.db2.gz IRDWLBVIUUMNIA-INIZCTEOSA-N 2 1 332.492 2.799 10 30 EFEEMP C=CCCC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC001725288263 1425442967 /nfs/dbraw/zinc/44/29/67/1425442967.db2.gz IRDWLBVIUUMNIA-INIZCTEOSA-N 2 1 332.492 2.799 10 30 EFEEMP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001725331582 1425473938 /nfs/dbraw/zinc/47/39/38/1425473938.db2.gz CCFDNQGEMCSYPG-IPMKNSEASA-N 2 1 333.520 2.655 10 30 EFEEMP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001725331585 1425474096 /nfs/dbraw/zinc/47/40/96/1425474096.db2.gz CCFDNQGEMCSYPG-OTWHNJEPSA-N 2 1 333.520 2.655 10 30 EFEEMP C=CCC[N@H+]1CCCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001725345336 1425492722 /nfs/dbraw/zinc/49/27/22/1425492722.db2.gz VPXCGICLTQJMQZ-UHFFFAOYSA-N 2 1 333.520 2.753 10 30 EFEEMP C=CCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001725344400 1425493073 /nfs/dbraw/zinc/49/30/73/1425493073.db2.gz GQOSEQTZOJRJDW-MOPGFXCFSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)C3(C[NH+](C)C)CCCCC3)C[C@@]2(C)C1 ZINC001725347040 1425495610 /nfs/dbraw/zinc/49/56/10/1425495610.db2.gz YFTHUCFCIXGRLN-BGYRXZFFSA-N 2 1 347.547 2.855 10 30 EFEEMP C#CCC[N@H+](C)C1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001725428044 1425575299 /nfs/dbraw/zinc/57/52/99/1425575299.db2.gz KGNHOKUJEZJOMO-UHFFFAOYSA-N 2 1 345.487 2.681 10 30 EFEEMP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001725454798 1425592354 /nfs/dbraw/zinc/59/23/54/1425592354.db2.gz QZJVWAQIRPATNJ-PKOBYXMFSA-N 2 1 333.520 2.654 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001725582821 1425666980 /nfs/dbraw/zinc/66/69/80/1425666980.db2.gz DNFIVTPQXRFLLO-IEBWSBKVSA-N 2 1 329.488 2.664 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001725582821 1425666984 /nfs/dbraw/zinc/66/69/84/1425666984.db2.gz DNFIVTPQXRFLLO-IEBWSBKVSA-N 2 1 329.488 2.664 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CCCCC1)C(C)(C)C ZINC001725743365 1425811839 /nfs/dbraw/zinc/81/18/39/1425811839.db2.gz YOFXQTYSZPOQRC-RBUKOAKNSA-N 2 1 347.547 2.785 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CCCCC1)C(C)(C)C ZINC001725743365 1425811847 /nfs/dbraw/zinc/81/18/47/1425811847.db2.gz YOFXQTYSZPOQRC-RBUKOAKNSA-N 2 1 347.547 2.785 10 30 EFEEMP CC#CC[NH2+]C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C(C)(C)C ZINC001725743690 1425811983 /nfs/dbraw/zinc/81/19/83/1425811983.db2.gz YVGVCVLMWBNEHH-JKSUJKDBSA-N 2 1 332.492 2.540 10 30 EFEEMP C=CCCC[NH+]1CCC(C2(NC(=O)C[N@H+](C)C3CCC3)CC2)CC1 ZINC001725794797 1425857704 /nfs/dbraw/zinc/85/77/04/1425857704.db2.gz RUANMFWOALYKHP-UHFFFAOYSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001725820215 1425880351 /nfs/dbraw/zinc/88/03/51/1425880351.db2.gz TWRYTHZEPNYNTM-YTQUADARSA-N 2 1 333.520 2.820 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001725820215 1425880360 /nfs/dbraw/zinc/88/03/60/1425880360.db2.gz TWRYTHZEPNYNTM-YTQUADARSA-N 2 1 333.520 2.820 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001725820215 1425880367 /nfs/dbraw/zinc/88/03/67/1425880367.db2.gz TWRYTHZEPNYNTM-YTQUADARSA-N 2 1 333.520 2.820 10 30 EFEEMP C=CCCC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001725823044 1425881268 /nfs/dbraw/zinc/88/12/68/1425881268.db2.gz RMZNNQHRNFCQDP-IBGZPJMESA-N 2 1 333.520 2.823 10 30 EFEEMP C=CCCC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001725823044 1425881273 /nfs/dbraw/zinc/88/12/73/1425881273.db2.gz RMZNNQHRNFCQDP-IBGZPJMESA-N 2 1 333.520 2.823 10 30 EFEEMP C=CCCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001725823044 1425881276 /nfs/dbraw/zinc/88/12/76/1425881276.db2.gz RMZNNQHRNFCQDP-IBGZPJMESA-N 2 1 333.520 2.823 10 30 EFEEMP C=CC[NH+]1CC=C(CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001725828762 1425895062 /nfs/dbraw/zinc/89/50/62/1425895062.db2.gz OICYNPSNTHXMNQ-IBGZPJMESA-N 2 1 327.472 2.614 10 30 EFEEMP C=CC[N@H+]1CC=C(CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001725828762 1425895064 /nfs/dbraw/zinc/89/50/64/1425895064.db2.gz OICYNPSNTHXMNQ-IBGZPJMESA-N 2 1 327.472 2.614 10 30 EFEEMP C=CC[N@@H+]1CC=C(CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001725828762 1425895066 /nfs/dbraw/zinc/89/50/66/1425895066.db2.gz OICYNPSNTHXMNQ-IBGZPJMESA-N 2 1 327.472 2.614 10 30 EFEEMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C)C(C)C ZINC000891940478 715166143 /nfs/dbraw/zinc/16/61/43/715166143.db2.gz PLLDBUUAYWZBNG-GUDVDZBRSA-N 2 1 348.535 2.563 10 30 EFEEMP COc1ccc(NC(=[NH2+])NCC[N@@H+](C)C2CCCCC2)cc1OC ZINC000104168539 715254472 /nfs/dbraw/zinc/25/44/72/715254472.db2.gz PMFHCVSGTBGPRS-UHFFFAOYSA-N 2 1 334.464 2.695 10 30 EFEEMP CCc1cccc(CC)c1NC(=[NH2+])NC[C@H]1CCC[N@H+]1CCOC ZINC000303987227 724442094 /nfs/dbraw/zinc/44/20/94/724442094.db2.gz VFKNEBCDRMBCBN-QGZVFWFLSA-N 2 1 332.492 2.649 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000907502290 726955232 /nfs/dbraw/zinc/95/52/32/726955232.db2.gz IPHCOMYWIHHXSE-LJQANCHMSA-N 2 1 329.488 2.521 10 30 EFEEMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C(C)(C)C1 ZINC000941244964 727922111 /nfs/dbraw/zinc/92/21/11/727922111.db2.gz RBSZAPXNHVHPLS-SFHVURJKSA-N 2 1 345.487 2.585 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940757132 728238776 /nfs/dbraw/zinc/23/87/76/728238776.db2.gz SLKJUKQGKHRSOV-RCCFBDPRSA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940757132 728238779 /nfs/dbraw/zinc/23/87/79/728238779.db2.gz SLKJUKQGKHRSOV-RCCFBDPRSA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940757132 728238783 /nfs/dbraw/zinc/23/87/83/728238783.db2.gz SLKJUKQGKHRSOV-RCCFBDPRSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000940859145 728297189 /nfs/dbraw/zinc/29/71/89/728297189.db2.gz RYAALPCRDBOGBX-MSOLQXFVSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940859145 728297192 /nfs/dbraw/zinc/29/71/92/728297192.db2.gz RYAALPCRDBOGBX-MSOLQXFVSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940859145 728297195 /nfs/dbraw/zinc/29/71/95/728297195.db2.gz RYAALPCRDBOGBX-MSOLQXFVSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000940859146 728297335 /nfs/dbraw/zinc/29/73/35/728297335.db2.gz RYAALPCRDBOGBX-QZTJIDSGSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940859146 728297337 /nfs/dbraw/zinc/29/73/37/728297337.db2.gz RYAALPCRDBOGBX-QZTJIDSGSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940859146 728297339 /nfs/dbraw/zinc/29/73/39/728297339.db2.gz RYAALPCRDBOGBX-QZTJIDSGSA-N 2 1 335.536 2.900 10 30 EFEEMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940971721 728344245 /nfs/dbraw/zinc/34/42/45/728344245.db2.gz ARJYTGHRDJKTSW-RTBURBONSA-N 2 1 345.531 2.633 10 30 EFEEMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000940971721 728344247 /nfs/dbraw/zinc/34/42/47/728344247.db2.gz ARJYTGHRDJKTSW-RTBURBONSA-N 2 1 345.531 2.633 10 30 EFEEMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940971721 728344249 /nfs/dbraw/zinc/34/42/49/728344249.db2.gz ARJYTGHRDJKTSW-RTBURBONSA-N 2 1 345.531 2.633 10 30 EFEEMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000940972643 728344915 /nfs/dbraw/zinc/34/49/15/728344915.db2.gz OQAUBCKVWZHLPL-ZWKOTPCHSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000940972643 728344916 /nfs/dbraw/zinc/34/49/16/728344916.db2.gz OQAUBCKVWZHLPL-ZWKOTPCHSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000940972643 728344918 /nfs/dbraw/zinc/34/49/18/728344918.db2.gz OQAUBCKVWZHLPL-ZWKOTPCHSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000941033999 728376431 /nfs/dbraw/zinc/37/64/31/728376431.db2.gz ZHEGTYNVWINYCQ-WMZOPIPTSA-N 2 1 344.503 2.547 10 30 EFEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000941033999 728376434 /nfs/dbraw/zinc/37/64/34/728376434.db2.gz ZHEGTYNVWINYCQ-WMZOPIPTSA-N 2 1 344.503 2.547 10 30 EFEEMP N#Cc1ccc(C[NH+]2CCC3(C[N@@H+](C4CCC4)C[C@H]3CO)CC2)cc1 ZINC000169782436 728404881 /nfs/dbraw/zinc/40/48/81/728404881.db2.gz FMKRICRVFGZMND-IBGZPJMESA-N 2 1 339.483 2.617 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001569435115 1085208641 /nfs/dbraw/zinc/20/86/41/1085208641.db2.gz ZLDVSQWXWAMHEL-WOJBJXKFSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001569435115 1085208648 /nfs/dbraw/zinc/20/86/48/1085208648.db2.gz ZLDVSQWXWAMHEL-WOJBJXKFSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001569435115 1085208659 /nfs/dbraw/zinc/20/86/59/1085208659.db2.gz ZLDVSQWXWAMHEL-WOJBJXKFSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001569448892 1085229355 /nfs/dbraw/zinc/22/93/55/1085229355.db2.gz LSHTXWSRXPCUIR-MOPGFXCFSA-N 2 1 333.520 2.750 10 30 EFEEMP C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001569451966 1085236720 /nfs/dbraw/zinc/23/67/20/1085236720.db2.gz MWWQHELSKZKKEC-UHFFFAOYSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001569451972 1085237231 /nfs/dbraw/zinc/23/72/31/1085237231.db2.gz JWRPPKKKRFGCIR-VQIMIIECSA-N 2 1 333.520 2.606 10 30 EFEEMP C=CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001569451972 1085237241 /nfs/dbraw/zinc/23/72/41/1085237241.db2.gz JWRPPKKKRFGCIR-VQIMIIECSA-N 2 1 333.520 2.606 10 30 EFEEMP C=CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001569451972 1085237251 /nfs/dbraw/zinc/23/72/51/1085237251.db2.gz JWRPPKKKRFGCIR-VQIMIIECSA-N 2 1 333.520 2.606 10 30 EFEEMP C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001569452503 1085238178 /nfs/dbraw/zinc/23/81/78/1085238178.db2.gz YBWCSNAZOBYXEO-UHFFFAOYSA-N 2 1 347.547 2.997 10 30 EFEEMP C=C(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001569466629 1085260492 /nfs/dbraw/zinc/26/04/92/1085260492.db2.gz DESMWCIOQNZUHX-HXUWFJFHSA-N 2 1 335.536 2.999 10 30 EFEEMP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001569466629 1085260501 /nfs/dbraw/zinc/26/05/01/1085260501.db2.gz DESMWCIOQNZUHX-HXUWFJFHSA-N 2 1 335.536 2.999 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001569466629 1085260509 /nfs/dbraw/zinc/26/05/09/1085260509.db2.gz DESMWCIOQNZUHX-HXUWFJFHSA-N 2 1 335.536 2.999 10 30 EFEEMP C#CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001569593135 1085415431 /nfs/dbraw/zinc/41/54/31/1085415431.db2.gz NUYPXTGHESTAHH-GOSISDBHSA-N 2 1 347.547 2.691 10 30 EFEEMP C#CCC[NH2+]C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C1CCCC1 ZINC001569606897 1085432895 /nfs/dbraw/zinc/43/28/95/1085432895.db2.gz UMXMSBDFLIHUMZ-LJQANCHMSA-N 2 1 347.547 2.927 10 30 EFEEMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC)C1CCCC1 ZINC001569612385 1085437328 /nfs/dbraw/zinc/43/73/28/1085437328.db2.gz BZFPLQIWNCBGSY-WOJBJXKFSA-N 2 1 341.499 2.577 10 30 EFEEMP C#CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001569704185 1085532879 /nfs/dbraw/zinc/53/28/79/1085532879.db2.gz FTAULBDTUCWYSZ-LJQANCHMSA-N 2 1 345.531 2.635 10 30 EFEEMP C=CC[NH+]1CCC(C)(CNC(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001569705010 1085534805 /nfs/dbraw/zinc/53/48/05/1085534805.db2.gz HWKSLDZDZXKNFR-UHFFFAOYSA-N 2 1 343.515 2.565 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCC(C)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001569705884 1085534985 /nfs/dbraw/zinc/53/49/85/1085534985.db2.gz ZKXAWBVBUWRINB-QZTJIDSGSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCC(C)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001569706395 1085536236 /nfs/dbraw/zinc/53/62/36/1085536236.db2.gz JQKOLCDNSHRKRJ-QZTJIDSGSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001569725946 1085563462 /nfs/dbraw/zinc/56/34/62/1085563462.db2.gz KCYDHTZAUKJZMV-UYAOXDASSA-N 2 1 335.536 2.901 10 30 EFEEMP CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)CC[N@H+](C)CCC)C2)CC1 ZINC001569800021 1085617467 /nfs/dbraw/zinc/61/74/67/1085617467.db2.gz MBDZITXFVNISDW-HXUWFJFHSA-N 2 1 347.547 2.692 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001569858138 1085681758 /nfs/dbraw/zinc/68/17/58/1085681758.db2.gz GEXNCZXOHROBLA-FQBWVUSXSA-N 2 1 333.520 2.795 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001569858138 1085681760 /nfs/dbraw/zinc/68/17/60/1085681760.db2.gz GEXNCZXOHROBLA-FQBWVUSXSA-N 2 1 333.520 2.795 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001569858138 1085681763 /nfs/dbraw/zinc/68/17/63/1085681763.db2.gz GEXNCZXOHROBLA-FQBWVUSXSA-N 2 1 333.520 2.795 10 30 EFEEMP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001569869543 1085698223 /nfs/dbraw/zinc/69/82/23/1085698223.db2.gz WTTYMKAVGIBWMW-LJQANCHMSA-N 2 1 329.488 2.664 10 30 EFEEMP CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C1 ZINC001569879348 1085712061 /nfs/dbraw/zinc/71/20/61/1085712061.db2.gz XEJFNYHBQJSVPA-HDICACEKSA-N 2 1 335.536 2.689 10 30 EFEEMP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001569919555 1085767488 /nfs/dbraw/zinc/76/74/88/1085767488.db2.gz NDGFNGYYYMCKBO-IPMKNSEASA-N 2 1 333.520 2.748 10 30 EFEEMP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001569919555 1085767494 /nfs/dbraw/zinc/76/74/94/1085767494.db2.gz NDGFNGYYYMCKBO-IPMKNSEASA-N 2 1 333.520 2.748 10 30 EFEEMP C=CCCCCC[NH+]1C[C@@H]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001569921867 1085772664 /nfs/dbraw/zinc/77/26/64/1085772664.db2.gz UPGHCFSYOAEDJW-HSALFYBXSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCCCC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001569921867 1085772668 /nfs/dbraw/zinc/77/26/68/1085772668.db2.gz UPGHCFSYOAEDJW-HSALFYBXSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCCCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001569921867 1085772677 /nfs/dbraw/zinc/77/26/77/1085772677.db2.gz UPGHCFSYOAEDJW-HSALFYBXSA-N 2 1 347.547 2.997 10 30 EFEEMP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001569998844 1085841371 /nfs/dbraw/zinc/84/13/71/1085841371.db2.gz VEMQTJYKJUDVSL-QUCCMNQESA-N 2 1 345.531 2.635 10 30 EFEEMP C#CC[N@H+](C)Cc1ccccc1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001570027014 1085876791 /nfs/dbraw/zinc/87/67/91/1085876791.db2.gz RRBABOFTWIAOJQ-UHFFFAOYSA-N 2 1 346.434 2.638 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCCC(C)C)CC1 ZINC001570040065 1085894437 /nfs/dbraw/zinc/89/44/37/1085894437.db2.gz HZJMGHOUKOUOQB-UFYCRDLUSA-N 2 1 347.547 2.785 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCCC(C)C)CC1 ZINC001570040065 1085894453 /nfs/dbraw/zinc/89/44/53/1085894453.db2.gz HZJMGHOUKOUOQB-UFYCRDLUSA-N 2 1 347.547 2.785 10 30 EFEEMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001570043569 1085897704 /nfs/dbraw/zinc/89/77/04/1085897704.db2.gz XLVUMHXVAIRWSR-BJLQDIEVSA-N 2 1 345.531 2.681 10 30 EFEEMP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001570048266 1085902550 /nfs/dbraw/zinc/90/25/50/1085902550.db2.gz BPEHCAMQMPABNG-WDSOQIARSA-N 2 1 329.488 2.740 10 30 EFEEMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001570056838 1085911562 /nfs/dbraw/zinc/91/15/62/1085911562.db2.gz CEKRNMGGIDLOFR-SFHVURJKSA-N 2 1 333.520 2.751 10 30 EFEEMP C#CC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001570220452 1086062085 /nfs/dbraw/zinc/06/20/85/1086062085.db2.gz RVVZAKSCMVDOEP-RBUKOAKNSA-N 2 1 347.547 2.548 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001570220452 1086062092 /nfs/dbraw/zinc/06/20/92/1086062092.db2.gz RVVZAKSCMVDOEP-RBUKOAKNSA-N 2 1 347.547 2.548 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001570220452 1086062100 /nfs/dbraw/zinc/06/21/00/1086062100.db2.gz RVVZAKSCMVDOEP-RBUKOAKNSA-N 2 1 347.547 2.548 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)C1 ZINC001570220920 1086062234 /nfs/dbraw/zinc/06/22/34/1086062234.db2.gz YETZARFGXYBJTH-RBUKOAKNSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001570220920 1086062240 /nfs/dbraw/zinc/06/22/40/1086062240.db2.gz YETZARFGXYBJTH-RBUKOAKNSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001570220920 1086062246 /nfs/dbraw/zinc/06/22/46/1086062246.db2.gz YETZARFGXYBJTH-RBUKOAKNSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001570269568 1086103922 /nfs/dbraw/zinc/10/39/22/1086103922.db2.gz XWJCIDWMZWYLFK-HXUWFJFHSA-N 2 1 343.515 2.838 10 30 EFEEMP C=C(C)CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001570269568 1086103925 /nfs/dbraw/zinc/10/39/25/1086103925.db2.gz XWJCIDWMZWYLFK-HXUWFJFHSA-N 2 1 343.515 2.838 10 30 EFEEMP C=C(C)CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001570269568 1086103932 /nfs/dbraw/zinc/10/39/32/1086103932.db2.gz XWJCIDWMZWYLFK-HXUWFJFHSA-N 2 1 343.515 2.838 10 30 EFEEMP C=C(C)C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001570271718 1086110100 /nfs/dbraw/zinc/11/01/00/1086110100.db2.gz MTVJVYJTXUNCNN-WOJBJXKFSA-N 2 1 343.515 2.692 10 30 EFEEMP C=C(C)C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001570271718 1086110104 /nfs/dbraw/zinc/11/01/04/1086110104.db2.gz MTVJVYJTXUNCNN-WOJBJXKFSA-N 2 1 343.515 2.692 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[N@H+](C)CC)C2 ZINC001570274589 1086116005 /nfs/dbraw/zinc/11/60/05/1086116005.db2.gz HBPUSJSPNYJEON-AZUAARDMSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)CC)C2 ZINC001570274589 1086116015 /nfs/dbraw/zinc/11/60/15/1086116015.db2.gz HBPUSJSPNYJEON-AZUAARDMSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)CC)C2 ZINC001570274589 1086116021 /nfs/dbraw/zinc/11/60/21/1086116021.db2.gz HBPUSJSPNYJEON-AZUAARDMSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001570437801 1086236474 /nfs/dbraw/zinc/23/64/74/1086236474.db2.gz RNZRHTFVLODTEH-WMZOPIPTSA-N 2 1 332.492 2.907 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001570437801 1086236485 /nfs/dbraw/zinc/23/64/85/1086236485.db2.gz RNZRHTFVLODTEH-WMZOPIPTSA-N 2 1 332.492 2.907 10 30 EFEEMP C=CCCC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001570476436 1086264538 /nfs/dbraw/zinc/26/45/38/1086264538.db2.gz CGMGXSUKDFITDX-PMACEKPBSA-N 2 1 341.499 2.762 10 30 EFEEMP C=CCCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001570476436 1086264544 /nfs/dbraw/zinc/26/45/44/1086264544.db2.gz CGMGXSUKDFITDX-PMACEKPBSA-N 2 1 341.499 2.762 10 30 EFEEMP C=CCCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001570476436 1086264552 /nfs/dbraw/zinc/26/45/52/1086264552.db2.gz CGMGXSUKDFITDX-PMACEKPBSA-N 2 1 341.499 2.762 10 30 EFEEMP C=CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001570477804 1086268256 /nfs/dbraw/zinc/26/82/56/1086268256.db2.gz ACVJRKBTXYRJMZ-LJQANCHMSA-N 2 1 341.499 2.620 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001570542774 1086337131 /nfs/dbraw/zinc/33/71/31/1086337131.db2.gz XKFYCGDIRQGKAP-PKOBYXMFSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001570542773 1086337582 /nfs/dbraw/zinc/33/75/82/1086337582.db2.gz XKFYCGDIRQGKAP-MJGOQNOKSA-N 2 1 335.536 2.996 10 30 EFEEMP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC2)C1 ZINC001570553058 1086359038 /nfs/dbraw/zinc/35/90/38/1086359038.db2.gz BQRNBCKHSPAGCA-LJQANCHMSA-N 2 1 347.547 2.548 10 30 EFEEMP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)CC(C)(C)C)CC2)C1 ZINC001570553058 1086359050 /nfs/dbraw/zinc/35/90/50/1086359050.db2.gz BQRNBCKHSPAGCA-LJQANCHMSA-N 2 1 347.547 2.548 10 30 EFEEMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)CC(C)(C)C)CC2)C1 ZINC001570553058 1086359059 /nfs/dbraw/zinc/35/90/59/1086359059.db2.gz BQRNBCKHSPAGCA-LJQANCHMSA-N 2 1 347.547 2.548 10 30 EFEEMP C=CC[NH2+]C1CCC(N(C)C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001570659972 1086443709 /nfs/dbraw/zinc/44/37/09/1086443709.db2.gz HHARBLRWQAVFLF-GTPINHCMSA-N 2 1 332.492 2.942 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]CCC(C)(C)C ZINC001570676957 1086454836 /nfs/dbraw/zinc/45/48/36/1086454836.db2.gz NJVCERTXETUPRX-KRWDZBQOSA-N 2 1 335.536 2.594 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]CCC(C)(C)C ZINC001570676957 1086454840 /nfs/dbraw/zinc/45/48/40/1086454840.db2.gz NJVCERTXETUPRX-KRWDZBQOSA-N 2 1 335.536 2.594 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]CCC1CCCC1 ZINC001570676494 1086454873 /nfs/dbraw/zinc/45/48/73/1086454873.db2.gz AVYVPBJNYRAWIZ-IBGZPJMESA-N 2 1 347.547 2.739 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]CCC1CCCC1 ZINC001570676494 1086454877 /nfs/dbraw/zinc/45/48/77/1086454877.db2.gz AVYVPBJNYRAWIZ-IBGZPJMESA-N 2 1 347.547 2.739 10 30 EFEEMP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001570859769 1086574276 /nfs/dbraw/zinc/57/42/76/1086574276.db2.gz FEZWUOLIZSNGNX-QFBILLFUSA-N 2 1 329.488 2.692 10 30 EFEEMP C=C(C)C[NH+]1C[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C(C)(C)C1 ZINC001570909222 1086609372 /nfs/dbraw/zinc/60/93/72/1086609372.db2.gz FLYNUPDVVPASTP-SFHVURJKSA-N 2 1 329.488 2.521 10 30 EFEEMP C=C(C)C[NH+]1C[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C(C)(C)C1 ZINC001570909222 1086609375 /nfs/dbraw/zinc/60/93/75/1086609375.db2.gz FLYNUPDVVPASTP-SFHVURJKSA-N 2 1 329.488 2.521 10 30 EFEEMP C=C(C)C[N@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C(C)(C)C1 ZINC001570909222 1086609382 /nfs/dbraw/zinc/60/93/82/1086609382.db2.gz FLYNUPDVVPASTP-SFHVURJKSA-N 2 1 329.488 2.521 10 30 EFEEMP C=C(C)C[N@@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C(C)(C)C1 ZINC001570909222 1086609384 /nfs/dbraw/zinc/60/93/84/1086609384.db2.gz FLYNUPDVVPASTP-SFHVURJKSA-N 2 1 329.488 2.521 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)CCC)C[C@@]2(C)C1 ZINC001571068104 1086660073 /nfs/dbraw/zinc/66/00/73/1086660073.db2.gz FXLPUFVGXVSOPK-YSIASYRMSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)CCC)C[C@@]2(C)C1 ZINC001571068104 1086660077 /nfs/dbraw/zinc/66/00/77/1086660077.db2.gz FXLPUFVGXVSOPK-YSIASYRMSA-N 2 1 335.536 2.853 10 30 EFEEMP C#CC[NH2+]CCCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001571336637 1086735907 /nfs/dbraw/zinc/73/59/07/1086735907.db2.gz DCVIJGWQMYKKDH-FQEVSTJZSA-N 2 1 341.499 2.501 10 30 EFEEMP CC#CC[NH2+]CCC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC001571346931 1086745787 /nfs/dbraw/zinc/74/57/87/1086745787.db2.gz IBSHABCMTDFXMX-RLLQIKCJSA-N 2 1 341.499 2.577 10 30 EFEEMP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@H]21 ZINC001571511815 1086917146 /nfs/dbraw/zinc/91/71/46/1086917146.db2.gz WTQPLIMGOBXTPG-IPMKNSEASA-N 2 1 344.503 2.765 10 30 EFEEMP C=CCC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H]1C ZINC001571526891 1086937501 /nfs/dbraw/zinc/93/75/01/1086937501.db2.gz OCYYKLNQDFDIPF-IEBWSBKVSA-N 2 1 329.488 2.664 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H]1C ZINC001571526891 1086937508 /nfs/dbraw/zinc/93/75/08/1086937508.db2.gz OCYYKLNQDFDIPF-IEBWSBKVSA-N 2 1 329.488 2.664 10 30 EFEEMP C=CCC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC001571526891 1086937511 /nfs/dbraw/zinc/93/75/11/1086937511.db2.gz OCYYKLNQDFDIPF-IEBWSBKVSA-N 2 1 329.488 2.664 10 30 EFEEMP C=CCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC001571526891 1086937518 /nfs/dbraw/zinc/93/75/18/1086937518.db2.gz OCYYKLNQDFDIPF-IEBWSBKVSA-N 2 1 329.488 2.664 10 30 EFEEMP C#CCC[NH2+]C[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)C(C)(C)C ZINC001571629797 1087000259 /nfs/dbraw/zinc/00/02/59/1087000259.db2.gz SBBCQTLFNGGLKU-GOSISDBHSA-N 2 1 335.536 2.785 10 30 EFEEMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001571651116 1087021080 /nfs/dbraw/zinc/02/10/80/1087021080.db2.gz MSIWLNZKHUFQKO-PXNSSMCTSA-N 2 1 341.499 2.529 10 30 EFEEMP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2CC)c(F)c1 ZINC001571704260 1087078590 /nfs/dbraw/zinc/07/85/90/1087078590.db2.gz MXWFIXKZXGTWCL-LJQANCHMSA-N 2 1 347.478 2.982 10 30 EFEEMP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001267016971 1092365148 /nfs/dbraw/zinc/36/51/48/1092365148.db2.gz PTXKONMIFVIZPV-MSOLQXFVSA-N 2 1 346.519 2.915 10 30 EFEEMP C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCCC)CC1 ZINC001649459626 1092493401 /nfs/dbraw/zinc/49/34/01/1092493401.db2.gz AHLPEHZLWJTCMC-KDURUIRLSA-N 2 1 333.520 2.892 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001649461654 1092495832 /nfs/dbraw/zinc/49/58/32/1092495832.db2.gz GAKUSUINRQZLFS-PMACEKPBSA-N 2 1 347.547 2.692 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001267073389 1092555534 /nfs/dbraw/zinc/55/55/34/1092555534.db2.gz RZUNWBWWTJVZCM-IBGZPJMESA-N 2 1 329.488 2.523 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001267073389 1092555542 /nfs/dbraw/zinc/55/55/42/1092555542.db2.gz RZUNWBWWTJVZCM-IBGZPJMESA-N 2 1 329.488 2.523 10 30 EFEEMP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001267104883 1092736831 /nfs/dbraw/zinc/73/68/31/1092736831.db2.gz VTIHDCOLJYCWEY-RTBURBONSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001267104883 1092736837 /nfs/dbraw/zinc/73/68/37/1092736837.db2.gz VTIHDCOLJYCWEY-RTBURBONSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001267104883 1092736846 /nfs/dbraw/zinc/73/68/46/1092736846.db2.gz VTIHDCOLJYCWEY-RTBURBONSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001671246900 1092753325 /nfs/dbraw/zinc/75/33/25/1092753325.db2.gz YSNXTENAXRSMNN-IAGOWNOFSA-N 2 1 332.492 2.942 10 30 EFEEMP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001267116626 1092799300 /nfs/dbraw/zinc/79/93/00/1092799300.db2.gz JRNQSZGZCRCFJS-KRWDZBQOSA-N 2 1 345.487 2.681 10 30 EFEEMP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](c1ccccc1)N(C)C ZINC001267180806 1093100694 /nfs/dbraw/zinc/10/06/94/1093100694.db2.gz CEPZWNJGHGPBRF-VQTJNVASSA-N 2 1 341.499 2.673 10 30 EFEEMP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001267180806 1093100698 /nfs/dbraw/zinc/10/06/98/1093100698.db2.gz CEPZWNJGHGPBRF-VQTJNVASSA-N 2 1 341.499 2.673 10 30 EFEEMP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001267180806 1093100700 /nfs/dbraw/zinc/10/07/00/1093100700.db2.gz CEPZWNJGHGPBRF-VQTJNVASSA-N 2 1 341.499 2.673 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001267278796 1093458928 /nfs/dbraw/zinc/45/89/28/1093458928.db2.gz QRLYIXVNRBZOLV-LJQANCHMSA-N 2 1 329.488 2.909 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001267282077 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ZINC001481732850 1096451626 /nfs/dbraw/zinc/45/16/26/1096451626.db2.gz XECFXVAHYFIXSK-MSOLQXFVSA-N 2 1 344.503 2.725 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001481740384 1096481188 /nfs/dbraw/zinc/48/11/88/1096481188.db2.gz BGQMYNJBUMMGKL-APWZRJJASA-N 2 1 339.499 2.698 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001481740384 1096481194 /nfs/dbraw/zinc/48/11/94/1096481194.db2.gz BGQMYNJBUMMGKL-APWZRJJASA-N 2 1 339.499 2.698 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001481740384 1096481198 /nfs/dbraw/zinc/48/11/98/1096481198.db2.gz BGQMYNJBUMMGKL-APWZRJJASA-N 2 1 339.499 2.698 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001481741354 1096484913 /nfs/dbraw/zinc/48/49/13/1096484913.db2.gz KSMPCRAZZKUKIB-FQEVSTJZSA-N 2 1 343.515 2.903 10 30 EFEEMP C#CC[NH2+]C[C@]1(NC(=O)CC[N@@H+](C)C2CCCCC2)CCCC[C@@H]1C ZINC001481963260 1097004293 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KCMKSAIPTXJOMM-RBUKOAKNSA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001269083701 1097839716 /nfs/dbraw/zinc/83/97/16/1097839716.db2.gz KCMKSAIPTXJOMM-RBUKOAKNSA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001269083701 1097839727 /nfs/dbraw/zinc/83/97/27/1097839727.db2.gz KCMKSAIPTXJOMM-RBUKOAKNSA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001269083701 1097839739 /nfs/dbraw/zinc/83/97/39/1097839739.db2.gz KCMKSAIPTXJOMM-RBUKOAKNSA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001269083701 1097839749 /nfs/dbraw/zinc/83/97/49/1097839749.db2.gz KCMKSAIPTXJOMM-RBUKOAKNSA-N 2 1 329.488 2.836 10 30 EFEEMP CC#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1CC ZINC001269170341 1097916166 /nfs/dbraw/zinc/91/61/66/1097916166.db2.gz YXAMPJIGSNDTKP-HKUYNNGSSA-N 2 1 347.547 2.879 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001269281686 1098016579 /nfs/dbraw/zinc/01/65/79/1098016579.db2.gz UCHGRPPSDXZXSH-SJORKVTESA-N 2 1 332.492 2.894 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001269281686 1098016587 /nfs/dbraw/zinc/01/65/87/1098016587.db2.gz UCHGRPPSDXZXSH-SJORKVTESA-N 2 1 332.492 2.894 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001269333450 1098063220 /nfs/dbraw/zinc/06/32/20/1098063220.db2.gz XAQWNSDDHSZMCM-IAGOWNOFSA-N 2 1 332.492 2.896 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001269333450 1098063227 /nfs/dbraw/zinc/06/32/27/1098063227.db2.gz XAQWNSDDHSZMCM-IAGOWNOFSA-N 2 1 332.492 2.896 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001269339575 1098070168 /nfs/dbraw/zinc/07/01/68/1098070168.db2.gz NQXOKUONJJCOGQ-SFHVURJKSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CCCC1 ZINC001482222277 1098161663 /nfs/dbraw/zinc/16/16/63/1098161663.db2.gz JZBAGXZNQBSBDF-ZWKOTPCHSA-N 2 1 333.520 2.988 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001269555758 1098244650 /nfs/dbraw/zinc/24/46/50/1098244650.db2.gz HELBXMFPBCHZIS-RTBURBONSA-N 2 1 347.547 2.997 10 30 EFEEMP C#CCC[N@H+](CCNC(=O)CCc1cncn1C)C1CCCCCC1 ZINC001269616034 1098293825 /nfs/dbraw/zinc/29/38/25/1098293825.db2.gz GULJRIOOUSYGGO-UHFFFAOYSA-N 2 1 344.503 2.517 10 30 EFEEMP C=C(C)C[NH2+]C[C@](C)(NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001269634043 1098311782 /nfs/dbraw/zinc/31/17/82/1098311782.db2.gz JLFIQEHCKBQDRQ-OALUTQOASA-N 2 1 339.499 2.650 10 30 EFEEMP CC#CC[NH2+]C[C@]1(NC(=O)Cn2cc[nH+]c2C(C)C)CCCC[C@H]1C ZINC001269670080 1098341085 /nfs/dbraw/zinc/34/10/85/1098341085.db2.gz JNOQJUCFVQGENA-YLJYHZDGSA-N 2 1 344.503 2.685 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001269700460 1098379612 /nfs/dbraw/zinc/37/96/12/1098379612.db2.gz YESUHHGDKCSAGZ-QUCCMNQESA-N 2 1 345.531 2.751 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001269708706 1098386266 /nfs/dbraw/zinc/38/62/66/1098386266.db2.gz IAUUDBMBOJVXOG-IPMKNSEASA-N 2 1 347.547 2.996 10 30 EFEEMP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC001270065297 1098653443 /nfs/dbraw/zinc/65/34/43/1098653443.db2.gz KTGJMONONPHDIC-FQEVSTJZSA-N 2 1 341.499 2.536 10 30 EFEEMP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)cc1 ZINC001270075603 1098664386 /nfs/dbraw/zinc/66/43/86/1098664386.db2.gz HWIWQABPPPWFEZ-WOJBJXKFSA-N 2 1 341.499 2.985 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCC(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001270124499 1098720158 /nfs/dbraw/zinc/72/01/58/1098720158.db2.gz FGOINQMMXITOMC-MRXNPFEDSA-N 2 1 332.492 2.765 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001267930561 1098721587 /nfs/dbraw/zinc/72/15/87/1098721587.db2.gz JMIFYESNOSMXDI-VJANTYMQSA-N 2 1 333.520 2.987 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001267930559 1098721831 /nfs/dbraw/zinc/72/18/31/1098721831.db2.gz JMIFYESNOSMXDI-MKXGPGLRSA-N 2 1 333.520 2.987 10 30 EFEEMP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001267938815 1098759680 /nfs/dbraw/zinc/75/96/80/1098759680.db2.gz LMKALFWVKUBBRY-KRWDZBQOSA-N 2 1 329.488 2.700 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001267957747 1098894743 /nfs/dbraw/zinc/89/47/43/1098894743.db2.gz LFPDUTLFMUASNM-MOPGFXCFSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001267958168 1098896674 /nfs/dbraw/zinc/89/66/74/1098896674.db2.gz UMDXRQAZCBSIMF-MOPGFXCFSA-N 2 1 333.520 2.940 10 30 EFEEMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC[NH+](CCC(=C)C)CC1 ZINC001270315069 1098948797 /nfs/dbraw/zinc/94/87/97/1098948797.db2.gz FOFGDRZWCZKEHW-VQTJNVASSA-N 2 1 345.531 2.609 10 30 EFEEMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)CCC[NH+]1CCCCC1)CC2 ZINC001267975411 1099043672 /nfs/dbraw/zinc/04/36/72/1099043672.db2.gz XEOLXMFUYGRFOU-UHFFFAOYSA-N 2 1 345.531 2.590 10 30 EFEEMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C1CCCC1 ZINC001270411833 1099068685 /nfs/dbraw/zinc/06/86/85/1099068685.db2.gz CQKNBJXPVNNHBH-RBUKOAKNSA-N 2 1 335.536 2.948 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001267789285 1099245835 /nfs/dbraw/zinc/24/58/35/1099245835.db2.gz CZCVQYGVWPNUGH-MSOLQXFVSA-N 2 1 344.503 2.643 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001267789285 1099245839 /nfs/dbraw/zinc/24/58/39/1099245839.db2.gz CZCVQYGVWPNUGH-MSOLQXFVSA-N 2 1 344.503 2.643 10 30 EFEEMP C=C(Cl)C[N@H+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C(C)C ZINC001481349825 1099410801 /nfs/dbraw/zinc/41/08/01/1099410801.db2.gz BSRVWPLPCNJPCY-SJORKVTESA-N 2 1 341.927 2.973 10 30 EFEEMP C=C(Cl)C[NH+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C(C)C ZINC001481349825 1099410809 /nfs/dbraw/zinc/41/08/09/1099410809.db2.gz BSRVWPLPCNJPCY-SJORKVTESA-N 2 1 341.927 2.973 10 30 EFEEMP C=C(Cl)C[NH+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C(C)C ZINC001481349825 1099410814 /nfs/dbraw/zinc/41/08/14/1099410814.db2.gz BSRVWPLPCNJPCY-SJORKVTESA-N 2 1 341.927 2.973 10 30 EFEEMP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)c1ccccc1 ZINC001481370893 1099503748 /nfs/dbraw/zinc/50/37/48/1099503748.db2.gz NTJXEEABGKPWPM-RTBURBONSA-N 2 1 329.488 2.882 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001481408113 1099656954 /nfs/dbraw/zinc/65/69/54/1099656954.db2.gz JUNLWNGVRQUSBX-MSOLQXFVSA-N 2 1 344.503 2.643 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001481408113 1099656959 /nfs/dbraw/zinc/65/69/59/1099656959.db2.gz JUNLWNGVRQUSBX-MSOLQXFVSA-N 2 1 344.503 2.643 10 30 EFEEMP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001267898380 1099938694 /nfs/dbraw/zinc/93/86/94/1099938694.db2.gz QQIUGKGXZVJJHK-GOSISDBHSA-N 2 1 332.492 2.766 10 30 EFEEMP C=C(C)CC[NH+]1CCC(C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001270879024 1099989288 /nfs/dbraw/zinc/98/92/88/1099989288.db2.gz ICBMJKTWBXCJMH-ZWKOTPCHSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC001482405432 1100037854 /nfs/dbraw/zinc/03/78/54/1100037854.db2.gz DFMLSXXHYJUVSF-IAGOWNOFSA-N 2 1 341.927 2.878 10 30 EFEEMP C=C(C[NH+](C)C)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001629184177 1100177738 /nfs/dbraw/zinc/17/77/38/1100177738.db2.gz AXRJCVCVSICHPX-OAQYLSRUSA-N 2 1 341.499 2.619 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001270999514 1100351365 /nfs/dbraw/zinc/35/13/65/1100351365.db2.gz QCIBFPMQKRAELE-OAQYLSRUSA-N 2 1 341.499 2.603 10 30 EFEEMP C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001270999241 1100352096 /nfs/dbraw/zinc/35/20/96/1100352096.db2.gz MLZMBXJHSHJUHH-IBGZPJMESA-N 2 1 332.492 2.766 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001270999241 1100352105 /nfs/dbraw/zinc/35/21/05/1100352105.db2.gz MLZMBXJHSHJUHH-IBGZPJMESA-N 2 1 332.492 2.766 10 30 EFEEMP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CC[N@H+]1C1CCCC1)C(C)C ZINC001632735226 1100497716 /nfs/dbraw/zinc/49/77/16/1100497716.db2.gz XVFQBGHVAAAFDL-MOPGFXCFSA-N 2 1 333.520 2.818 10 30 EFEEMP CC#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001482469525 1100816184 /nfs/dbraw/zinc/81/61/84/1100816184.db2.gz CBTGYXODXRZKDN-MOPGFXCFSA-N 2 1 347.547 2.881 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCCC ZINC001279221229 1101490927 /nfs/dbraw/zinc/49/09/27/1101490927.db2.gz BVMMHTQBZDXZSP-YRPNKDGESA-N 2 1 345.531 2.633 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCC ZINC001279221229 1101490934 /nfs/dbraw/zinc/49/09/34/1101490934.db2.gz BVMMHTQBZDXZSP-YRPNKDGESA-N 2 1 345.531 2.633 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCCCC ZINC001279221229 1101490941 /nfs/dbraw/zinc/49/09/41/1101490941.db2.gz BVMMHTQBZDXZSP-YRPNKDGESA-N 2 1 345.531 2.633 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCCCC ZINC001279221229 1101490944 /nfs/dbraw/zinc/49/09/44/1101490944.db2.gz BVMMHTQBZDXZSP-YRPNKDGESA-N 2 1 345.531 2.633 10 30 EFEEMP C=CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001279222373 1101552069 /nfs/dbraw/zinc/55/20/69/1101552069.db2.gz QITWEKNBSGXHDT-RDGPPVDQSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001279222373 1101552079 /nfs/dbraw/zinc/55/20/79/1101552079.db2.gz QITWEKNBSGXHDT-RDGPPVDQSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001279222373 1101552089 /nfs/dbraw/zinc/55/20/89/1101552089.db2.gz QITWEKNBSGXHDT-RDGPPVDQSA-N 2 1 333.520 2.796 10 30 EFEEMP 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C=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001669986812 1105565863 /nfs/dbraw/zinc/56/58/63/1105565863.db2.gz WKYHBCYINQIBBG-MOPGFXCFSA-N 2 1 329.488 2.569 10 30 EFEEMP C=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001669986812 1105565868 /nfs/dbraw/zinc/56/58/68/1105565868.db2.gz WKYHBCYINQIBBG-MOPGFXCFSA-N 2 1 329.488 2.569 10 30 EFEEMP C#CCN(C(=O)CC[C@H]1CCC[N@H+]1C)C1CC[NH+](CCC(C)C)CC1 ZINC001671481653 1105643313 /nfs/dbraw/zinc/64/33/13/1105643313.db2.gz RHLYPOPOKLXYTE-LJQANCHMSA-N 2 1 347.547 2.833 10 30 EFEEMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CC/C=C\CCC)CC1 ZINC001671504019 1105647225 /nfs/dbraw/zinc/64/72/25/1105647225.db2.gz KTBVRAWXZFCFSR-QULHZPMSSA-N 2 1 345.531 2.611 10 30 EFEEMP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001671789642 1105703222 /nfs/dbraw/zinc/70/32/22/1105703222.db2.gz HXJCAZKBYNYMHG-IBGZPJMESA-N 2 1 332.492 2.801 10 30 EFEEMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001671896685 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C=C(Cl)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001483802799 1112466378 /nfs/dbraw/zinc/46/63/78/1112466378.db2.gz VAMMEOVDWQFDOB-SJORKVTESA-N 2 1 341.927 2.784 10 30 EFEEMP CC#CC[N@@H+](CC1CC1)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001483819019 1112469912 /nfs/dbraw/zinc/46/99/12/1112469912.db2.gz YWPTZKKRFJRQGE-UHFFFAOYSA-N 2 1 345.531 2.589 10 30 EFEEMP C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001483816545 1112485189 /nfs/dbraw/zinc/48/51/89/1112485189.db2.gz FDFBBNSPLGNAGG-IBGZPJMESA-N 2 1 335.536 2.852 10 30 EFEEMP C=CCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001483833263 1112494467 /nfs/dbraw/zinc/49/44/67/1112494467.db2.gz IWJQTQFOIKWFKS-ZJOUEHCJSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001483833263 1112494468 /nfs/dbraw/zinc/49/44/68/1112494468.db2.gz IWJQTQFOIKWFKS-ZJOUEHCJSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001483833263 1112494469 /nfs/dbraw/zinc/49/44/69/1112494469.db2.gz IWJQTQFOIKWFKS-ZJOUEHCJSA-N 2 1 347.547 2.997 10 30 EFEEMP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001483918005 1112559107 /nfs/dbraw/zinc/55/91/07/1112559107.db2.gz QXOQZGZIRVGYLB-MJGOQNOKSA-N 2 1 329.488 2.664 10 30 EFEEMP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001483918005 1112559110 /nfs/dbraw/zinc/55/91/10/1112559110.db2.gz QXOQZGZIRVGYLB-MJGOQNOKSA-N 2 1 329.488 2.664 10 30 EFEEMP C#CCN(C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C1CC[NH+](CCCC)CC1 ZINC001483983535 1112628605 /nfs/dbraw/zinc/62/86/05/1112628605.db2.gz FCWPOOUCSBGYEP-UYAOXDASSA-N 2 1 345.531 2.730 10 30 EFEEMP C#CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC[NH+](CC2CCC2)CC1 ZINC001483983928 1112629447 /nfs/dbraw/zinc/62/94/47/1112629447.db2.gz FEJLGJMACFVQPL-FQEVSTJZSA-N 2 1 345.531 2.586 10 30 EFEEMP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCCCCC=C)CC1 ZINC001483986017 1112631505 /nfs/dbraw/zinc/63/15/05/1112631505.db2.gz RHIBWAXRQVKBFM-HXUWFJFHSA-N 2 1 345.531 2.753 10 30 EFEEMP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1ccc2ccccc2c1 ZINC001483992946 1112642020 /nfs/dbraw/zinc/64/20/20/1112642020.db2.gz RZLXGTIDFWNFHC-LEWJYISDSA-N 2 1 349.478 2.562 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001484164881 1112869132 /nfs/dbraw/zinc/86/91/32/1112869132.db2.gz HKOLIQVDLZLUMI-GOSISDBHSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001484164881 1112869135 /nfs/dbraw/zinc/86/91/35/1112869135.db2.gz HKOLIQVDLZLUMI-GOSISDBHSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001484175003 1112890061 /nfs/dbraw/zinc/89/00/61/1112890061.db2.gz NYMMGUYVMYXTPI-UYAOXDASSA-N 2 1 335.536 2.901 10 30 EFEEMP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2CC)cc1 ZINC001484562809 1113024376 /nfs/dbraw/zinc/02/43/76/1113024376.db2.gz GVKOFQNDDYKMEX-FXAWDEMLSA-N 2 1 341.499 2.851 10 30 EFEEMP C=CCCC[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[N@H+](C)CCC)C2 ZINC001484829768 1117747753 /nfs/dbraw/zinc/74/77/53/1117747753.db2.gz KWZHLYVGRKQKOB-FQEVSTJZSA-N 2 1 335.536 2.999 10 30 EFEEMP C=CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)CCC)C2 ZINC001484829768 1117747758 /nfs/dbraw/zinc/74/77/58/1117747758.db2.gz KWZHLYVGRKQKOB-FQEVSTJZSA-N 2 1 335.536 2.999 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)CCC)C2 ZINC001484829768 1117747762 /nfs/dbraw/zinc/74/77/62/1117747762.db2.gz KWZHLYVGRKQKOB-FQEVSTJZSA-N 2 1 335.536 2.999 10 30 EFEEMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001484830184 1117748327 /nfs/dbraw/zinc/74/83/27/1117748327.db2.gz NPZZIFFEIFZWOC-OAQYLSRUSA-N 2 1 345.531 2.590 10 30 EFEEMP C=CCCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[N@H+](C)CCC)C2 ZINC001484829769 1117748602 /nfs/dbraw/zinc/74/86/02/1117748602.db2.gz KWZHLYVGRKQKOB-HXUWFJFHSA-N 2 1 335.536 2.999 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)CCC)C2 ZINC001484829769 1117748607 /nfs/dbraw/zinc/74/86/07/1117748607.db2.gz KWZHLYVGRKQKOB-HXUWFJFHSA-N 2 1 335.536 2.999 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)CCC)C2 ZINC001484829769 1117748610 /nfs/dbraw/zinc/74/86/10/1117748610.db2.gz KWZHLYVGRKQKOB-HXUWFJFHSA-N 2 1 335.536 2.999 10 30 EFEEMP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001484820267 1117754686 /nfs/dbraw/zinc/75/46/86/1117754686.db2.gz LZOITJOMSPATHL-MRXNPFEDSA-N 2 1 341.927 2.974 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@H+](C)CCC ZINC001485045451 1117964303 /nfs/dbraw/zinc/96/43/03/1117964303.db2.gz YGVPCHJRNDFBFU-UYAOXDASSA-N 2 1 329.488 2.666 10 30 EFEEMP C=CC[N@@H+](CC)CC1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001485032559 1117965103 /nfs/dbraw/zinc/96/51/03/1117965103.db2.gz ASUFGBSPJIMFMV-UHFFFAOYSA-N 2 1 332.492 2.718 10 30 EFEEMP 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1118009111 /nfs/dbraw/zinc/00/91/11/1118009111.db2.gz KLMIRXKUAOFZPF-IRXDYDNUSA-N 2 1 341.927 2.925 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001485071167 1118009114 /nfs/dbraw/zinc/00/91/14/1118009114.db2.gz KLMIRXKUAOFZPF-IRXDYDNUSA-N 2 1 341.927 2.925 10 30 EFEEMP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001485253242 1118168881 /nfs/dbraw/zinc/16/88/81/1118168881.db2.gz DUNGWIMKXCKVDL-HZPDHXFCSA-N 2 1 341.927 2.830 10 30 EFEEMP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001485260792 1118179976 /nfs/dbraw/zinc/17/99/76/1118179976.db2.gz QRDSFOKKPFYDLA-LJQANCHMSA-N 2 1 341.515 2.849 10 30 EFEEMP CC#CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC001485432752 1118344998 /nfs/dbraw/zinc/34/49/98/1118344998.db2.gz BWJMHXZULMDOSX-UXHICEINSA-N 2 1 347.547 2.879 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@@H+]2CCCC=C)CC1 ZINC001485484548 1118391490 /nfs/dbraw/zinc/39/14/90/1118391490.db2.gz HYBQNIPHCGZKTL-HXUWFJFHSA-N 2 1 345.531 2.659 10 30 EFEEMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)CC[N@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001485609734 1118485665 /nfs/dbraw/zinc/48/56/65/1118485665.db2.gz RMZAMUPGFWOHIA-OWZKRDHZSA-N 2 1 347.547 2.901 10 30 EFEEMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001485609734 1118485670 /nfs/dbraw/zinc/48/56/70/1118485670.db2.gz RMZAMUPGFWOHIA-OWZKRDHZSA-N 2 1 347.547 2.901 10 30 EFEEMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001485609734 1118485672 /nfs/dbraw/zinc/48/56/72/1118485672.db2.gz RMZAMUPGFWOHIA-OWZKRDHZSA-N 2 1 347.547 2.901 10 30 EFEEMP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001485692952 1118533390 /nfs/dbraw/zinc/53/33/90/1118533390.db2.gz QAHZATQOZPWREW-ZHALLVOQSA-N 2 1 333.520 2.844 10 30 EFEEMP C=CCC[N@H+](C)C1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001485765657 1118578059 /nfs/dbraw/zinc/57/80/59/1118578059.db2.gz NGBOTMDGSILUCD-UHFFFAOYSA-N 2 1 333.520 2.607 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000940988832 1118648982 /nfs/dbraw/zinc/64/89/82/1118648982.db2.gz YGINNJOXNAVKPH-AEFFLSMTSA-N 2 1 344.503 2.547 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000940988832 1118648984 /nfs/dbraw/zinc/64/89/84/1118648984.db2.gz YGINNJOXNAVKPH-AEFFLSMTSA-N 2 1 344.503 2.547 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C(C)(C)C1 ZINC000941042110 1118663543 /nfs/dbraw/zinc/66/35/43/1118663543.db2.gz WPSHNEPMZFFHOM-JFIYKMOQSA-N 2 1 344.503 2.707 10 30 EFEEMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2C#N)[C@H](C)C1 ZINC000081095198 217361298 /nfs/dbraw/zinc/36/12/98/217361298.db2.gz ADPLQSUCHPUUBN-CRAIPNDOSA-N 2 1 328.460 2.549 10 30 EFEEMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2C#N)[C@H](C)C1 ZINC000081095198 217361300 /nfs/dbraw/zinc/36/13/00/217361300.db2.gz ADPLQSUCHPUUBN-CRAIPNDOSA-N 2 1 328.460 2.549 10 30 EFEEMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2C#N)[C@H](C)C1 ZINC000081095198 217361304 /nfs/dbraw/zinc/36/13/04/217361304.db2.gz ADPLQSUCHPUUBN-CRAIPNDOSA-N 2 1 328.460 2.549 10 30 EFEEMP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194737533 286770068 /nfs/dbraw/zinc/77/00/68/286770068.db2.gz RZPBEEHBOOVXIA-KRWDZBQOSA-N 2 1 346.519 2.525 10 30 EFEEMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182617390 287131506 /nfs/dbraw/zinc/13/15/06/287131506.db2.gz JWNFTMYFGYJUIT-XVSDAANHSA-N 2 1 338.499 2.862 10 30 EFEEMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182617390 287131507 /nfs/dbraw/zinc/13/15/07/287131507.db2.gz JWNFTMYFGYJUIT-XVSDAANHSA-N 2 1 338.499 2.862 10 30 EFEEMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](CC)C1)N1CC[C@@](C)(c2ccccc2)C1 ZINC000261809757 278167973 /nfs/dbraw/zinc/16/79/73/278167973.db2.gz SJVWZIUZZWEPMA-GHTZIAJQSA-N 2 1 342.531 2.957 10 30 EFEEMP 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ZINC000069859962 472452675 /nfs/dbraw/zinc/45/26/75/472452675.db2.gz JLTGRTABKSQGFS-UHFFFAOYSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000105897328 472801135 /nfs/dbraw/zinc/80/11/35/472801135.db2.gz HRLQRNMVEZRSGO-DLBZAZTESA-N 2 1 330.476 2.672 10 30 EFEEMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000105897328 472801143 /nfs/dbraw/zinc/80/11/43/472801143.db2.gz HRLQRNMVEZRSGO-DLBZAZTESA-N 2 1 330.476 2.672 10 30 EFEEMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cccc(C#N)c2)[C@H](C)C1 ZINC000079461107 472867668 /nfs/dbraw/zinc/86/76/68/472867668.db2.gz UUAIHQRYACQRGN-CRAIPNDOSA-N 2 1 328.460 2.549 10 30 EFEEMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2cccc(C#N)c2)[C@H](C)C1 ZINC000079461107 472867675 /nfs/dbraw/zinc/86/76/75/472867675.db2.gz UUAIHQRYACQRGN-CRAIPNDOSA-N 2 1 328.460 2.549 10 30 EFEEMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)[C@H](C)C1 ZINC000079461107 472867680 /nfs/dbraw/zinc/86/76/80/472867680.db2.gz UUAIHQRYACQRGN-CRAIPNDOSA-N 2 1 328.460 2.549 10 30 EFEEMP C=CC[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000625701610 480015610 /nfs/dbraw/zinc/01/56/10/480015610.db2.gz AOQNBSVXIKPJKY-LJQANCHMSA-N 2 1 341.499 2.797 10 30 EFEEMP C[N@H+](CCC[NH2+]Cc1cnc2ccc(C#N)cn12)C1CCCCC1 ZINC000123217426 473113281 /nfs/dbraw/zinc/11/32/81/473113281.db2.gz ZYCQYARLHWEATF-UHFFFAOYSA-N 2 1 325.460 2.950 10 30 EFEEMP C[N@@H+](CCC[NH2+]Cc1cnc2ccc(C#N)cn12)C1CCCCC1 ZINC000123217426 473113290 /nfs/dbraw/zinc/11/32/90/473113290.db2.gz ZYCQYARLHWEATF-UHFFFAOYSA-N 2 1 325.460 2.950 10 30 EFEEMP COCC[N@@H+](C)CCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000271094271 474401134 /nfs/dbraw/zinc/40/11/34/474401134.db2.gz XZTFXRYCRRFXTP-UHFFFAOYSA-N 2 1 329.488 2.948 10 30 EFEEMP C[C@H](c1cccc(C#N)c1)[N@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000189963763 474519867 /nfs/dbraw/zinc/51/98/67/474519867.db2.gz RILBTTWRFFLUDF-XLIONFOSSA-N 2 1 326.488 2.721 10 30 EFEEMP C[C@H](c1cccc(C#N)c1)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000189963763 474519876 /nfs/dbraw/zinc/51/98/76/474519876.db2.gz RILBTTWRFFLUDF-XLIONFOSSA-N 2 1 326.488 2.721 10 30 EFEEMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2C#N)[C@@H](C)C1 ZINC000245412205 474582991 /nfs/dbraw/zinc/58/29/91/474582991.db2.gz ADPLQSUCHPUUBN-MAUKXSAKSA-N 2 1 328.460 2.549 10 30 EFEEMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2C#N)[C@@H](C)C1 ZINC000245412205 474582995 /nfs/dbraw/zinc/58/29/95/474582995.db2.gz ADPLQSUCHPUUBN-MAUKXSAKSA-N 2 1 328.460 2.549 10 30 EFEEMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2C#N)[C@@H](C)C1 ZINC000245412205 474583002 /nfs/dbraw/zinc/58/30/02/474583002.db2.gz ADPLQSUCHPUUBN-MAUKXSAKSA-N 2 1 328.460 2.549 10 30 EFEEMP Cn1nccc1[C@H]1[C@H](C[N@@H+](C)Cc2cccc(C#N)c2)CCCN1C ZINC000284750744 474750501 /nfs/dbraw/zinc/75/05/01/474750501.db2.gz FHGGLYCLXFPZBV-AZUAARDMSA-N 2 1 337.471 2.807 10 30 EFEEMP C=CCCC[N@@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000347333658 475240186 /nfs/dbraw/zinc/24/01/86/475240186.db2.gz QEYFOZRWCIXEQF-SFHVURJKSA-N 2 1 329.488 2.790 10 30 EFEEMP C=CCCC[N@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000347333658 475240196 /nfs/dbraw/zinc/24/01/96/475240196.db2.gz QEYFOZRWCIXEQF-SFHVURJKSA-N 2 1 329.488 2.790 10 30 EFEEMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)C(C)C ZINC000349722139 475990974 /nfs/dbraw/zinc/99/09/74/475990974.db2.gz JQDRJIYNGFWNCG-MOPGFXCFSA-N 2 1 348.535 2.563 10 30 EFEEMP C=CCOc1ccccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354026423 476375915 /nfs/dbraw/zinc/37/59/15/476375915.db2.gz SUHBYKMIAWFZFO-ICSRJNTNSA-N 2 1 343.515 2.709 10 30 EFEEMP C=CCOc1ccccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354026423 476375922 /nfs/dbraw/zinc/37/59/22/476375922.db2.gz SUHBYKMIAWFZFO-ICSRJNTNSA-N 2 1 343.515 2.709 10 30 EFEEMP COc1ccc2c(c1)CCN(Cc1cnc3ccc(C#N)cn13)CC2 ZINC000375535373 476885632 /nfs/dbraw/zinc/88/56/32/476885632.db2.gz UTWITAGXDUJTJR-UHFFFAOYSA-N 2 1 332.407 2.815 10 30 EFEEMP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000594437751 478386262 /nfs/dbraw/zinc/38/62/62/478386262.db2.gz FCDJTLGCSPKPFT-MJGOQNOKSA-N 2 1 342.487 2.521 10 30 EFEEMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1c1cccs1 ZINC000594437712 478387041 /nfs/dbraw/zinc/38/70/41/478387041.db2.gz DPULPPQVHIZGCI-BFYDXBDKSA-N 2 1 348.516 2.658 10 30 EFEEMP N#CCCCC[C@H]([NH3+])C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000594440705 478389580 /nfs/dbraw/zinc/38/95/80/478389580.db2.gz HVBQQLBOWRLLPZ-MOPGFXCFSA-N 2 1 342.487 2.569 10 30 EFEEMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594439089 478389912 /nfs/dbraw/zinc/38/99/12/478389912.db2.gz SGNYBJUYBSHFSN-SQNIBIBYSA-N 2 1 334.508 2.511 10 30 EFEEMP CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000594441868 478390582 /nfs/dbraw/zinc/39/05/82/478390582.db2.gz XLXHXFRFKVKCSX-MOPGFXCFSA-N 2 1 342.487 2.521 10 30 EFEEMP C[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000594445351 478391914 /nfs/dbraw/zinc/39/19/14/478391914.db2.gz JKYJGZLVRDPPOG-YESZJQIVSA-N 2 1 348.878 2.613 10 30 EFEEMP C[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000594445351 478391923 /nfs/dbraw/zinc/39/19/23/478391923.db2.gz JKYJGZLVRDPPOG-YESZJQIVSA-N 2 1 348.878 2.613 10 30 EFEEMP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000600720198 478483175 /nfs/dbraw/zinc/48/31/75/478483175.db2.gz HNZSGNCPHARJLI-HOTGVXAUSA-N 2 1 333.501 2.604 10 30 EFEEMP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000600720198 478483181 /nfs/dbraw/zinc/48/31/81/478483181.db2.gz HNZSGNCPHARJLI-HOTGVXAUSA-N 2 1 333.501 2.604 10 30 EFEEMP N#Cc1ccccc1-c1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000600732876 478493776 /nfs/dbraw/zinc/49/37/76/478493776.db2.gz WGWGQQLTGIFKMV-FQEVSTJZSA-N 2 1 335.451 2.772 10 30 EFEEMP N#Cc1ccccc1-c1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000600732877 478494271 /nfs/dbraw/zinc/49/42/71/478494271.db2.gz WGWGQQLTGIFKMV-HXUWFJFHSA-N 2 1 335.451 2.772 10 30 EFEEMP N#CC1(C[C@H](O)C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000528501265 478804844 /nfs/dbraw/zinc/80/48/44/478804844.db2.gz CYLWGQLIOKZZDN-FPOVZHCZSA-N 2 1 339.483 2.639 10 30 EFEEMP N#CC1(C[C@H](O)C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000528501265 478804853 /nfs/dbraw/zinc/80/48/53/478804853.db2.gz CYLWGQLIOKZZDN-FPOVZHCZSA-N 2 1 339.483 2.639 10 30 EFEEMP N#CC1(C[C@H](O)C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000528501265 478804861 /nfs/dbraw/zinc/80/48/61/478804861.db2.gz CYLWGQLIOKZZDN-FPOVZHCZSA-N 2 1 339.483 2.639 10 30 EFEEMP C[N@H+]1CC[C@@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CC1(C)C ZINC000598979827 479112704 /nfs/dbraw/zinc/11/27/04/479112704.db2.gz DCUIGOVAZUJKJJ-HXUWFJFHSA-N 2 1 340.515 2.985 10 30 EFEEMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H](O)CC1(C#N)CC1 ZINC000599345752 479261857 /nfs/dbraw/zinc/26/18/57/479261857.db2.gz BEKCQYDHMCFRQE-IBGZPJMESA-N 2 1 342.487 2.675 10 30 EFEEMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(C2(C#N)CC2)cc1 ZINC000597030709 479541798 /nfs/dbraw/zinc/54/17/98/479541798.db2.gz VBBGTUSFRVSIEP-AQNXPRMDSA-N 2 1 339.483 2.925 10 30 EFEEMP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(C(C)(C)C#N)cc3)CC2)C1 ZINC000614175430 480217288 /nfs/dbraw/zinc/21/72/88/480217288.db2.gz NHTLLACBWXSFCR-HXUWFJFHSA-N 2 1 340.515 2.700 10 30 EFEEMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(C(C)(C)C#N)cc3)CC2)C1 ZINC000614175430 480217293 /nfs/dbraw/zinc/21/72/93/480217293.db2.gz NHTLLACBWXSFCR-HXUWFJFHSA-N 2 1 340.515 2.700 10 30 EFEEMP C=CCOc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650705876 481272636 /nfs/dbraw/zinc/27/26/36/481272636.db2.gz ZKBIHOIEBXCGAF-NLWGTHIKSA-N 2 1 330.472 2.970 10 30 EFEEMP C=CC[C@]1(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CCC[NH2+]1 ZINC000662693129 481936799 /nfs/dbraw/zinc/93/67/99/481936799.db2.gz ZYBHQNRSDGKLRF-HXUWFJFHSA-N 2 1 333.520 2.799 10 30 EFEEMP C=CC[C@]1(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CCC[NH2+]1 ZINC000662746330 481957939 /nfs/dbraw/zinc/95/79/39/481957939.db2.gz SCDLVKFTELMHTI-VDZJLULYSA-N 2 1 347.528 2.946 10 30 EFEEMP C=CC[C@]1(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CCC[NH2+]1 ZINC000662746326 481958797 /nfs/dbraw/zinc/95/87/97/481958797.db2.gz SCDLVKFTELMHTI-KVSKMBFKSA-N 2 1 347.528 2.946 10 30 EFEEMP C=CC[C@]1(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CCC[NH2+]1 ZINC000662797055 481973951 /nfs/dbraw/zinc/97/39/51/481973951.db2.gz GDWALVOSUHCIEA-ZHALLVOQSA-N 2 1 347.890 2.900 10 30 EFEEMP C=CC[C@]1(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)CCC[NH2+]1 ZINC000662797055 481973955 /nfs/dbraw/zinc/97/39/55/481973955.db2.gz GDWALVOSUHCIEA-ZHALLVOQSA-N 2 1 347.890 2.900 10 30 EFEEMP C=CC[C@]1(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662805553 481978315 /nfs/dbraw/zinc/97/83/15/481978315.db2.gz YVXIFJJYRBWYCJ-SLYNCCJLSA-N 2 1 341.499 2.712 10 30 EFEEMP C=CC[C@]1(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662805551 481978589 /nfs/dbraw/zinc/97/85/89/481978589.db2.gz YVXIFJJYRBWYCJ-FBBABVLZSA-N 2 1 341.499 2.712 10 30 EFEEMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000245414887 521720088 /nfs/dbraw/zinc/72/00/88/521720088.db2.gz CTQQEMCLLJYAMW-YJBOKZPZSA-N 2 1 328.460 2.549 10 30 EFEEMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000245414887 521720090 /nfs/dbraw/zinc/72/00/90/521720090.db2.gz CTQQEMCLLJYAMW-YJBOKZPZSA-N 2 1 328.460 2.549 10 30 EFEEMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000245414887 521720091 /nfs/dbraw/zinc/72/00/91/521720091.db2.gz CTQQEMCLLJYAMW-YJBOKZPZSA-N 2 1 328.460 2.549 10 30 EFEEMP CN(CCC#N)c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000245809541 536301591 /nfs/dbraw/zinc/30/15/91/536301591.db2.gz ZCWLZVKXWRYSTD-IBGZPJMESA-N 2 1 326.488 2.954 10 30 EFEEMP CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000768806493 577304435 /nfs/dbraw/zinc/30/44/35/577304435.db2.gz FFWKEOLXQDOJRI-AZUAARDMSA-N 2 1 342.483 2.928 10 30 EFEEMP CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000768806493 577304437 /nfs/dbraw/zinc/30/44/37/577304437.db2.gz FFWKEOLXQDOJRI-AZUAARDMSA-N 2 1 342.483 2.928 10 30 EFEEMP C#CC[NH2+][C@@H](CNC(=O)C[N@H+](C)C(C)C)c1ccc(C(C)C)cc1 ZINC001691772801 1248640520 /nfs/dbraw/zinc/64/05/20/1248640520.db2.gz PUOHXCLPHDPPAW-IBGZPJMESA-N 2 1 329.488 2.530 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCC[NH+](C)C ZINC001691920239 1248825061 /nfs/dbraw/zinc/82/50/61/1248825061.db2.gz UMZLDMKPWOYMRH-NZSAHSFTSA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC[N@H+](C)CCC ZINC001691428995 1248883143 /nfs/dbraw/zinc/88/31/43/1248883143.db2.gz SXYGYMOSKSSQPH-NZSAHSFTSA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC[NH+](C)CCC ZINC001691428995 1248883153 /nfs/dbraw/zinc/88/31/53/1248883153.db2.gz SXYGYMOSKSSQPH-NZSAHSFTSA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC[NH+](C)CCC ZINC001691428995 1248883159 /nfs/dbraw/zinc/88/31/59/1248883159.db2.gz SXYGYMOSKSSQPH-NZSAHSFTSA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1C(F)(F)F ZINC001691935180 1249062410 /nfs/dbraw/zinc/06/24/10/1249062410.db2.gz BQLCQNOVOICEMP-HUUCEWRRSA-N 2 1 349.441 2.519 10 30 EFEEMP N#CC1(c2ccc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)CC1 ZINC000850135893 1250307878 /nfs/dbraw/zinc/30/78/78/1250307878.db2.gz SEDGIXBZNQYFHY-FQEVSTJZSA-N 2 1 339.483 2.975 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CC/C=C\CCC)CC1 ZINC001691112614 1248433416 /nfs/dbraw/zinc/43/34/16/1248433416.db2.gz IQTFWKQMMXJRTG-PXDRNWIDSA-N 2 1 345.531 2.659 10 30 EFEEMP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001691225877 1248552063 /nfs/dbraw/zinc/55/20/63/1248552063.db2.gz IPXIJOUTHOKGTB-GBESFXJTSA-N 2 1 345.531 2.539 10 30 EFEEMP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001691245027 1248565352 /nfs/dbraw/zinc/56/53/52/1248565352.db2.gz KXDAPCMMVRWZHN-NSHGMRRFSA-N 2 1 345.531 2.681 10 30 EFEEMP C=CCCCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001484094351 1252234823 /nfs/dbraw/zinc/23/48/23/1252234823.db2.gz OKFSZNTYUGCLOY-GGPKGHCWSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1c[nH+]cc1C)C2 ZINC001484389525 1252515500 /nfs/dbraw/zinc/51/55/00/1252515500.db2.gz MIUPYFLIMUFJEQ-KANFNMMFSA-N 2 1 344.503 2.905 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1c[nH+]cc1C)C2 ZINC001484389525 1252515507 /nfs/dbraw/zinc/51/55/07/1252515507.db2.gz MIUPYFLIMUFJEQ-KANFNMMFSA-N 2 1 344.503 2.905 10 30 EFEEMP C=CCCCCC[N@@H+]1C[C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001484472198 1252693924 /nfs/dbraw/zinc/69/39/24/1252693924.db2.gz COAGSRIHQMETIH-RBUKOAKNSA-N 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C=CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001484772334 1252947497 /nfs/dbraw/zinc/94/74/97/1252947497.db2.gz QWPHNWMKRUBCMN-RBUKOAKNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001485824091 1255318297 /nfs/dbraw/zinc/31/82/97/1255318297.db2.gz GYISGBNIMVJJIY-DLBZAZTESA-N 2 1 341.927 2.688 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001485824092 1255322598 /nfs/dbraw/zinc/32/25/98/1255322598.db2.gz GYISGBNIMVJJIY-IAGOWNOFSA-N 2 1 341.927 2.688 10 30 EFEEMP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001670946451 1258881927 /nfs/dbraw/zinc/88/19/27/1258881927.db2.gz JIOOHVINKVWTCT-IPQPSQTFSA-N 2 1 333.520 2.939 10 30 EFEEMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)CCCCCC ZINC001670964944 1259123794 /nfs/dbraw/zinc/12/37/94/1259123794.db2.gz KFEHNHIPVRFWBH-MOPGFXCFSA-N 2 1 333.520 2.587 10 30 EFEEMP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CCCCCC ZINC001670964944 1259123797 /nfs/dbraw/zinc/12/37/97/1259123797.db2.gz KFEHNHIPVRFWBH-MOPGFXCFSA-N 2 1 333.520 2.587 10 30 EFEEMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CCCCCC ZINC001670964944 1259123799 /nfs/dbraw/zinc/12/37/99/1259123799.db2.gz KFEHNHIPVRFWBH-MOPGFXCFSA-N 2 1 333.520 2.587 10 30 EFEEMP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001670989039 1259341498 /nfs/dbraw/zinc/34/14/98/1259341498.db2.gz GCTYBLKERYDYNY-IBGZPJMESA-N 2 1 333.520 2.750 10 30 EFEEMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001670989039 1259341505 /nfs/dbraw/zinc/34/15/05/1259341505.db2.gz GCTYBLKERYDYNY-IBGZPJMESA-N 2 1 333.520 2.750 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001671698139 1259421309 /nfs/dbraw/zinc/42/13/09/1259421309.db2.gz BUVQSUIZYLGHPV-FQEVSTJZSA-N 2 1 329.488 2.665 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001671698139 1259421314 /nfs/dbraw/zinc/42/13/14/1259421314.db2.gz BUVQSUIZYLGHPV-FQEVSTJZSA-N 2 1 329.488 2.665 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001671698139 1259421320 /nfs/dbraw/zinc/42/13/20/1259421320.db2.gz BUVQSUIZYLGHPV-FQEVSTJZSA-N 2 1 329.488 2.665 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001671698139 1259421324 /nfs/dbraw/zinc/42/13/24/1259421324.db2.gz BUVQSUIZYLGHPV-FQEVSTJZSA-N 2 1 329.488 2.665 10 30 EFEEMP C=CCCCCC[NH+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001272826253 1261073532 /nfs/dbraw/zinc/07/35/32/1261073532.db2.gz QJAICBFQXJUQGU-UHFFFAOYSA-N 2 1 344.503 2.862 10 30 EFEEMP CC[NH+]=C(NCc1ncc(C)s1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000086741184 1261339359 /nfs/dbraw/zinc/33/93/59/1261339359.db2.gz QSYXFNUWDZOVNU-AWEZNQCLSA-N 2 1 335.521 2.524 10 30 EFEEMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923501895 1261799418 /nfs/dbraw/zinc/79/94/18/1261799418.db2.gz WPGXLJPPGYYGTE-PMPSAXMXSA-N 2 1 335.517 2.568 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@H]12 ZINC001486154508 1262712047 /nfs/dbraw/zinc/71/20/47/1262712047.db2.gz LNWFJFGIODGEBS-VDZJLULYSA-N 2 1 330.476 2.659 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@H]12 ZINC001486154508 1262712051 /nfs/dbraw/zinc/71/20/51/1262712051.db2.gz LNWFJFGIODGEBS-VDZJLULYSA-N 2 1 330.476 2.659 10 30 EFEEMP CCC[N@@H+](C)CC(=O)N[C@@H](C[NH2+]CC#Cc1ccccc1)C(C)(C)C ZINC001486420873 1263068131 /nfs/dbraw/zinc/06/81/31/1263068131.db2.gz ZUKCCMMEIPIJGQ-IBGZPJMESA-N 2 1 343.515 2.500 10 30 EFEEMP C=CCC[NH2+]C1CC(N(C)C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001486480818 1263216310 /nfs/dbraw/zinc/21/63/10/1263216310.db2.gz OVYFJCJDGXDSMX-CTWPCTMYSA-N 2 1 329.488 2.835 10 30 EFEEMP C=CCCC[N@H+](CC)CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001493021149 1269862979 /nfs/dbraw/zinc/86/29/79/1269862979.db2.gz AGSVDCNEBWGRTK-SFHVURJKSA-N 2 1 327.488 2.603 10 30 EFEEMP C=CCCC[NH+](CC)CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001493021149 1269862991 /nfs/dbraw/zinc/86/29/91/1269862991.db2.gz AGSVDCNEBWGRTK-SFHVURJKSA-N 2 1 327.488 2.603 10 30 EFEEMP C=CCCC[NH+](CC)CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001493021149 1269863004 /nfs/dbraw/zinc/86/30/04/1269863004.db2.gz AGSVDCNEBWGRTK-SFHVURJKSA-N 2 1 327.488 2.603 10 30 EFEEMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(C#N)cc3[N+](=O)[O-])C2)CC1 ZINC000844324195 1278909408 /nfs/dbraw/zinc/90/94/08/1278909408.db2.gz FYURJMQGJFCYBT-UHFFFAOYSA-N 2 1 328.416 2.774 10 30 EFEEMP C#CC[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000819306008 1276711293 /nfs/dbraw/zinc/71/12/93/1276711293.db2.gz YPYXJSRKHOOPCK-VXKWHMMOSA-N 2 1 336.479 2.704 10 30 EFEEMP C#CC[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000819306008 1276711300 /nfs/dbraw/zinc/71/13/00/1276711300.db2.gz YPYXJSRKHOOPCK-VXKWHMMOSA-N 2 1 336.479 2.704 10 30 EFEEMP C=C(C[NH+](C)C)C(=O)N(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001136362176 1277268980 /nfs/dbraw/zinc/26/89/80/1277268980.db2.gz SBJXOHIQZYQMJW-IEBWSBKVSA-N 2 1 329.488 2.788 10 30 EFEEMP C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000805876514 1280838546 /nfs/dbraw/zinc/83/85/46/1280838546.db2.gz MGWBPJJCWMHXLZ-LJQANCHMSA-N 2 1 326.440 2.537 10 30 EFEEMP C=C(Cl)C[C@H]([NH3+])c1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000872174047 1287462450 /nfs/dbraw/zinc/46/24/50/1287462450.db2.gz BXQFWYCSPWYBML-AWEZNQCLSA-N 2 1 336.823 2.819 10 30 EFEEMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001671081785 1280970144 /nfs/dbraw/zinc/97/01/44/1280970144.db2.gz XJMGHUAZTYDNDW-HXUWFJFHSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001671081785 1280970148 /nfs/dbraw/zinc/97/01/48/1280970148.db2.gz XJMGHUAZTYDNDW-HXUWFJFHSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001671081785 1280970153 /nfs/dbraw/zinc/97/01/53/1280970153.db2.gz XJMGHUAZTYDNDW-HXUWFJFHSA-N 2 1 333.520 2.751 10 30 EFEEMP C=C(Cl)C[C@@H]([NH3+])c1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000872174048 1287462436 /nfs/dbraw/zinc/46/24/36/1287462436.db2.gz BXQFWYCSPWYBML-CQSZACIVSA-N 2 1 336.823 2.819 10 30 EFEEMP C=C(Cl)C[C@H]([NH3+])c1nc(-c2ccccc2OCC[NH+](C)C)no1 ZINC000872175603 1287463026 /nfs/dbraw/zinc/46/30/26/1287463026.db2.gz SFNSMZLOKWMAJG-ZDUSSCGKSA-N 2 1 336.823 2.819 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001277695684 1312752831 /nfs/dbraw/zinc/75/28/31/1312752831.db2.gz UJROKXZXACQTMZ-PKOBYXMFSA-N 2 1 344.503 2.547 10 30 EFEEMP C#CCC[N@H+](CCCNC(=O)c1ccc(-n2ccnc2)cc1)C(C)C ZINC001691742212 1290774062 /nfs/dbraw/zinc/77/40/62/1290774062.db2.gz OGYCLTURDMEUDS-UHFFFAOYSA-N 2 1 338.455 2.726 10 30 EFEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000876739841 1290998208 /nfs/dbraw/zinc/99/82/08/1290998208.db2.gz JIGAJIDNENJODE-PMPSAXMXSA-N 2 1 327.900 2.569 10 30 EFEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000876750844 1291004032 /nfs/dbraw/zinc/00/40/32/1291004032.db2.gz JSUMBRHTHZUUSZ-SFHVURJKSA-N 2 1 349.906 2.827 10 30 EFEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000876750842 1291004065 /nfs/dbraw/zinc/00/40/65/1291004065.db2.gz JSUMBRHTHZUUSZ-GOSISDBHSA-N 2 1 349.906 2.827 10 30 EFEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000876774817 1291019360 /nfs/dbraw/zinc/01/93/60/1291019360.db2.gz IAIYFGHUBFGHIM-RDJZCZTQSA-N 2 1 335.879 2.579 10 30 EFEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC000876892619 1291061492 /nfs/dbraw/zinc/06/14/92/1291061492.db2.gz DAXMNEAQOLIHKN-IRXDYDNUSA-N 2 1 335.879 2.579 10 30 EFEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC000876892619 1291061503 /nfs/dbraw/zinc/06/15/03/1291061503.db2.gz DAXMNEAQOLIHKN-IRXDYDNUSA-N 2 1 335.879 2.579 10 30 EFEEMP C=CCCC[NH2+]CCN(CC)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001273610463 1292368830 /nfs/dbraw/zinc/36/88/30/1292368830.db2.gz NLDMFGGHILWIQP-GOSISDBHSA-N 2 1 327.488 2.603 10 30 EFEEMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001276335488 1292829895 /nfs/dbraw/zinc/82/98/95/1292829895.db2.gz WZDHSAZWWNIXHK-IBGZPJMESA-N 2 1 333.520 2.637 10 30 EFEEMP C=CCC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)[C@@H]1Cc2ccccc2O1 ZINC000883175868 1293492808 /nfs/dbraw/zinc/49/28/08/1293492808.db2.gz QKQXRVIVJIVXCZ-FPOVZHCZSA-N 2 1 344.499 2.761 10 30 EFEEMP C#CCN1CCC[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000886209380 1294766484 /nfs/dbraw/zinc/76/64/84/1294766484.db2.gz LDYRLVXGLNFJIK-LEWJYISDSA-N 2 1 337.511 2.871 10 30 EFEEMP C#CCN1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000886209380 1294766486 /nfs/dbraw/zinc/76/64/86/1294766486.db2.gz LDYRLVXGLNFJIK-LEWJYISDSA-N 2 1 337.511 2.871 10 30 EFEEMP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001276448063 1313100811 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BLVTWMGMZWOJAV-WOJBJXKFSA-N 2 1 343.515 2.879 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001489091611 1298053485 /nfs/dbraw/zinc/05/34/85/1298053485.db2.gz BLVTWMGMZWOJAV-WOJBJXKFSA-N 2 1 343.515 2.879 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001489200050 1298114619 /nfs/dbraw/zinc/11/46/19/1298114619.db2.gz PRIILGFNIKWIMS-OTWHNJEPSA-N 2 1 347.547 2.996 10 30 EFEEMP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001489231248 1298143203 /nfs/dbraw/zinc/14/32/03/1298143203.db2.gz KWAJKIDCBCFRCX-UYAOXDASSA-N 2 1 345.531 2.778 10 30 EFEEMP N#Cc1ccc(N[C@H]2CCC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)nc1 ZINC000903988813 1313544964 /nfs/dbraw/zinc/54/49/64/1313544964.db2.gz XVTCWCPNGWQNLT-IBGZPJMESA-N 2 1 347.466 2.675 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001490438392 1298861243 /nfs/dbraw/zinc/86/12/43/1298861243.db2.gz JKBDDPWCEBHFIJ-INIZCTEOSA-N 2 1 335.517 2.970 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001490438392 1298861249 /nfs/dbraw/zinc/86/12/49/1298861249.db2.gz JKBDDPWCEBHFIJ-INIZCTEOSA-N 2 1 335.517 2.970 10 30 EFEEMP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001490611566 1299037200 /nfs/dbraw/zinc/03/72/00/1299037200.db2.gz XKGKWJKWSJXMOW-MSOLQXFVSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001490611567 1299037383 /nfs/dbraw/zinc/03/73/83/1299037383.db2.gz XKGKWJKWSJXMOW-QZTJIDSGSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001490793700 1299262532 /nfs/dbraw/zinc/26/25/32/1299262532.db2.gz JXCIJAXLGGYPLK-CEXWTWQISA-N 2 1 333.520 2.748 10 30 EFEEMP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001490793700 1299262541 /nfs/dbraw/zinc/26/25/41/1299262541.db2.gz JXCIJAXLGGYPLK-CEXWTWQISA-N 2 1 333.520 2.748 10 30 EFEEMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001490793700 1299262546 /nfs/dbraw/zinc/26/25/46/1299262546.db2.gz JXCIJAXLGGYPLK-CEXWTWQISA-N 2 1 333.520 2.748 10 30 EFEEMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2Cc3ccc(C#N)cc3C2)[C@@H](C)C1 ZINC000866617439 1303713176 /nfs/dbraw/zinc/71/31/76/1303713176.db2.gz JMFJGDQRCGTSSI-NDXORKPFSA-N 2 1 341.499 2.752 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[N@H+](C)CC)C2 ZINC001278334461 1314140485 /nfs/dbraw/zinc/14/04/85/1314140485.db2.gz CCYQOUCOXPANTO-HXUWFJFHSA-N 2 1 335.536 2.999 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)CC)C2 ZINC001278334461 1314140487 /nfs/dbraw/zinc/14/04/87/1314140487.db2.gz CCYQOUCOXPANTO-HXUWFJFHSA-N 2 1 335.536 2.999 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)CC)C2 ZINC001278334461 1314140490 /nfs/dbraw/zinc/14/04/90/1314140490.db2.gz CCYQOUCOXPANTO-HXUWFJFHSA-N 2 1 335.536 2.999 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000900406372 1308133371 /nfs/dbraw/zinc/13/33/71/1308133371.db2.gz HRWAZEZJEQSKHC-IBGZPJMESA-N 2 1 329.488 2.523 10 30 EFEEMP CCCCCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001276668935 1314233098 /nfs/dbraw/zinc/23/30/98/1314233098.db2.gz AEEDHRWLDZSULN-WTGUMLROSA-N 2 1 347.547 2.593 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000900827516 1308734202 /nfs/dbraw/zinc/73/42/02/1308734202.db2.gz QQLWOBZKBFTERH-RDJZCZTQSA-N 2 1 335.517 2.755 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000900957800 1309037752 /nfs/dbraw/zinc/03/77/52/1309037752.db2.gz BHLDRCCIPMDKQJ-PKOBYXMFSA-N 2 1 329.488 2.521 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000900972901 1309081688 /nfs/dbraw/zinc/08/16/88/1309081688.db2.gz CUKUWYAFPCKAMW-MJGOQNOKSA-N 2 1 329.488 2.664 10 30 EFEEMP C=C(C)C[NH2+][C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)Cc1ccccc1 ZINC001284149793 1320237585 /nfs/dbraw/zinc/23/75/85/1320237585.db2.gz YLBJEKDWELWMAB-WOJBJXKFSA-N 2 1 343.515 2.754 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001277286394 1311924451 /nfs/dbraw/zinc/92/44/51/1311924451.db2.gz YYVDGLWQEZXXSC-RTBURBONSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001277286394 1311924454 /nfs/dbraw/zinc/92/44/54/1311924454.db2.gz YYVDGLWQEZXXSC-RTBURBONSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001277286394 1311924457 /nfs/dbraw/zinc/92/44/57/1311924457.db2.gz YYVDGLWQEZXXSC-RTBURBONSA-N 2 1 335.536 2.997 10 30 EFEEMP C#CCC[NH+](CC1CC1)C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001277388859 1312099467 /nfs/dbraw/zinc/09/94/67/1312099467.db2.gz UTVKDGURVHBFGS-IBGZPJMESA-N 2 1 345.531 2.587 10 30 EFEEMP C#CCC[N@H+](CC1CC1)C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001277388859 1312099470 /nfs/dbraw/zinc/09/94/70/1312099470.db2.gz UTVKDGURVHBFGS-IBGZPJMESA-N 2 1 345.531 2.587 10 30 EFEEMP C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001277388859 1312099473 /nfs/dbraw/zinc/09/94/73/1312099473.db2.gz UTVKDGURVHBFGS-IBGZPJMESA-N 2 1 345.531 2.587 10 30 EFEEMP CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2cc(C#N)ccn2)[C@H](C)C1 ZINC000902806034 1312122260 /nfs/dbraw/zinc/12/22/60/1312122260.db2.gz HZXOSTKFGZTQAL-NUJGCVRESA-N 2 1 330.476 2.741 10 30 EFEEMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+](C)CCCCCC)C2)C1 ZINC001277474020 1312393860 /nfs/dbraw/zinc/39/38/60/1312393860.db2.gz MGOGSMAMDFNGJA-NRFANRHFSA-N 2 1 347.547 2.836 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001277473318 1312399292 /nfs/dbraw/zinc/39/92/92/1312399292.db2.gz CEBCAOXPIFNEBD-HXUWFJFHSA-N 2 1 333.520 2.609 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001277526145 1312513712 /nfs/dbraw/zinc/51/37/12/1312513712.db2.gz XVHUTKFVMPPLEM-HXUWFJFHSA-N 2 1 345.531 2.753 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001277609870 1312621552 /nfs/dbraw/zinc/62/15/52/1312621552.db2.gz 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SKDNFUZHFAKRRO-UXHICEINSA-N 2 1 341.499 2.673 10 30 EFEEMP C=CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001281016195 1317969325 /nfs/dbraw/zinc/96/93/25/1317969325.db2.gz JYJIRPNUVQNXDT-MSOLQXFVSA-N 2 1 333.520 2.940 10 30 EFEEMP C=C(C)C[NH2+]C1(CC)CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001281038134 1317987726 /nfs/dbraw/zinc/98/77/26/1317987726.db2.gz ZAAQUEHKYFUJEP-KRWDZBQOSA-N 2 1 344.503 2.691 10 30 EFEEMP C=C(Cl)C[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001318938011 1328745757 /nfs/dbraw/zinc/74/57/57/1328745757.db2.gz QEQJVJHGAVSZJK-QGZVFWFLSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(C)CC[NH2+]C1(C)CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001281518869 1318398416 /nfs/dbraw/zinc/39/84/16/1318398416.db2.gz CRAUFCBYNCCHPO-UHFFFAOYSA-N 2 1 332.492 2.909 10 30 EFEEMP C=CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C(C)(C)C1 ZINC001281567742 1318467137 /nfs/dbraw/zinc/46/71/37/1318467137.db2.gz PMJJQIFFXULEIQ-SFHVURJKSA-N 2 1 329.488 2.521 10 30 EFEEMP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C(C)(C)C1 ZINC001281567742 1318467141 /nfs/dbraw/zinc/46/71/41/1318467141.db2.gz PMJJQIFFXULEIQ-SFHVURJKSA-N 2 1 329.488 2.521 10 30 EFEEMP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C(C)(C)C1 ZINC001281567742 1318467150 /nfs/dbraw/zinc/46/71/50/1318467150.db2.gz PMJJQIFFXULEIQ-SFHVURJKSA-N 2 1 329.488 2.521 10 30 EFEEMP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C(C)(C)C1 ZINC001281567742 1318467153 /nfs/dbraw/zinc/46/71/53/1318467153.db2.gz PMJJQIFFXULEIQ-SFHVURJKSA-N 2 1 329.488 2.521 10 30 EFEEMP C=C(C)C[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001281778288 1318578792 /nfs/dbraw/zinc/57/87/92/1318578792.db2.gz YKNAEBBSNWFQHN-UXHICEINSA-N 2 1 343.515 2.864 10 30 EFEEMP C=C(C)C[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001281778288 1318578799 /nfs/dbraw/zinc/57/87/99/1318578799.db2.gz YKNAEBBSNWFQHN-UXHICEINSA-N 2 1 343.515 2.864 10 30 EFEEMP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001281905252 1318619427 /nfs/dbraw/zinc/61/94/27/1318619427.db2.gz IQFRXADKRZJGBT-FBBABVLZSA-N 2 1 341.499 2.809 10 30 EFEEMP CCC[N@@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001282221008 1318784370 /nfs/dbraw/zinc/78/43/70/1318784370.db2.gz XTOWFDGLYKUJDE-JKSUJKDBSA-N 2 1 349.906 2.516 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)CCC2=CCCCC2)CC1 ZINC001282497622 1318971808 /nfs/dbraw/zinc/97/18/08/1318971808.db2.gz OZPMTWZKLXKDMS-SFHVURJKSA-N 2 1 345.531 2.659 10 30 EFEEMP CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC001282573940 1319006556 /nfs/dbraw/zinc/00/65/56/1319006556.db2.gz YVMSSLNMKJEKPS-PMACEKPBSA-N 2 1 343.515 2.775 10 30 EFEEMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001316621923 1319110373 /nfs/dbraw/zinc/11/03/73/1319110373.db2.gz VBNFPVIXXVKJHI-DDBAPUKQSA-N 2 1 344.503 2.593 10 30 EFEEMP C=CCCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)C(C)(C)C1 ZINC001282833129 1319150573 /nfs/dbraw/zinc/15/05/73/1319150573.db2.gz MQLGYUWLMDZUOU-QGZVFWFLSA-N 2 1 332.492 2.765 10 30 EFEEMP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)C(C)(C)C1 ZINC001282833129 1319150579 /nfs/dbraw/zinc/15/05/79/1319150579.db2.gz MQLGYUWLMDZUOU-QGZVFWFLSA-N 2 1 332.492 2.765 10 30 EFEEMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001282834791 1319152678 /nfs/dbraw/zinc/15/26/78/1319152678.db2.gz VZQUEEUGBYNPOQ-QZTJIDSGSA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001282834790 1319153126 /nfs/dbraw/zinc/15/31/26/1319153126.db2.gz VZQUEEUGBYNPOQ-MSOLQXFVSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CCCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001282974113 1319231642 /nfs/dbraw/zinc/23/16/42/1319231642.db2.gz YLYUOQMDBGNKPZ-LJQANCHMSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001282974113 1319231650 /nfs/dbraw/zinc/23/16/50/1319231650.db2.gz YLYUOQMDBGNKPZ-LJQANCHMSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001282974113 1319231660 /nfs/dbraw/zinc/23/16/60/1319231660.db2.gz YLYUOQMDBGNKPZ-LJQANCHMSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCCC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC001282996235 1319247951 /nfs/dbraw/zinc/24/79/51/1319247951.db2.gz LGVJHYQTPKTGNJ-GHSBBIOCSA-N 2 1 347.547 2.996 10 30 EFEEMP C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC001282996235 1319247959 /nfs/dbraw/zinc/24/79/59/1319247959.db2.gz LGVJHYQTPKTGNJ-GHSBBIOCSA-N 2 1 347.547 2.996 10 30 EFEEMP C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC001282996235 1319247966 /nfs/dbraw/zinc/24/79/66/1319247966.db2.gz LGVJHYQTPKTGNJ-GHSBBIOCSA-N 2 1 347.547 2.996 10 30 EFEEMP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001283172548 1319395674 /nfs/dbraw/zinc/39/56/74/1319395674.db2.gz DLRMOIRAWHOFIA-ZWKOTPCHSA-N 2 1 333.520 2.539 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CC/C=C\CCC)CC1 ZINC001283310084 1319536615 /nfs/dbraw/zinc/53/66/15/1319536615.db2.gz DYGKUUWXNXBQCR-AQWUKCDYSA-N 2 1 345.531 2.753 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)CC/C=C\CCC)CC1 ZINC001283310084 1319536626 /nfs/dbraw/zinc/53/66/26/1319536626.db2.gz DYGKUUWXNXBQCR-AQWUKCDYSA-N 2 1 345.531 2.753 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CC/C=C\CCC)CC1 ZINC001283310084 1319536629 /nfs/dbraw/zinc/53/66/29/1319536629.db2.gz DYGKUUWXNXBQCR-AQWUKCDYSA-N 2 1 345.531 2.753 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CC/C=C\CCC)CC1 ZINC001283310084 1319536636 /nfs/dbraw/zinc/53/66/36/1319536636.db2.gz DYGKUUWXNXBQCR-AQWUKCDYSA-N 2 1 345.531 2.753 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@H]12 ZINC001284056569 1320169509 /nfs/dbraw/zinc/16/95/09/1320169509.db2.gz HLRSCPHFZYBPJY-QRFRQXIXSA-N 2 1 333.520 2.939 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@]2(NC(=O)Cn3cncc3C)CCC[C@H]12 ZINC001284056887 1320170067 /nfs/dbraw/zinc/17/00/67/1320170067.db2.gz IYRROHBTHAEXNH-VDZJLULYSA-N 2 1 330.476 2.659 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CC[C@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@H]12 ZINC001284056887 1320170070 /nfs/dbraw/zinc/17/00/70/1320170070.db2.gz IYRROHBTHAEXNH-VDZJLULYSA-N 2 1 330.476 2.659 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@H]12 ZINC001284056887 1320170073 /nfs/dbraw/zinc/17/00/73/1320170073.db2.gz IYRROHBTHAEXNH-VDZJLULYSA-N 2 1 330.476 2.659 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC001319405253 1328875538 /nfs/dbraw/zinc/87/55/38/1328875538.db2.gz KYDBXFMSVPIURP-QYZOEREBSA-N 2 1 347.547 2.996 10 30 EFEEMP C=CC[NH2+][C@H]1CN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1(C)C ZINC001284335946 1320324832 /nfs/dbraw/zinc/32/48/32/1320324832.db2.gz PSIYMFQSRDKMKB-ZWKOTPCHSA-N 2 1 329.488 2.692 10 30 EFEEMP C=CCC[C@@H](C)[N@H+](C)CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001284534154 1320407594 /nfs/dbraw/zinc/40/75/94/1320407594.db2.gz XTODNVUGYLVLFF-IEBWSBKVSA-N 2 1 335.536 2.852 10 30 EFEEMP C=CCC[C@@H](C)[N@H+](C)CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001284534155 1320408145 /nfs/dbraw/zinc/40/81/45/1320408145.db2.gz XTODNVUGYLVLFF-MJGOQNOKSA-N 2 1 335.536 2.852 10 30 EFEEMP C=CCCC[N@@H+](C)CCN(C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC001284545578 1320412849 /nfs/dbraw/zinc/41/28/49/1320412849.db2.gz XAVOELZMMOGUBX-GOSISDBHSA-N 2 1 346.519 2.889 10 30 EFEEMP C=CCCC[N@H+](C)CCN(C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC001284545578 1320412854 /nfs/dbraw/zinc/41/28/54/1320412854.db2.gz XAVOELZMMOGUBX-GOSISDBHSA-N 2 1 346.519 2.889 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C(C)(C)C ZINC001284618310 1320442770 /nfs/dbraw/zinc/44/27/70/1320442770.db2.gz KNAVXPYRDVPBKI-WMZOPIPTSA-N 2 1 346.519 2.841 10 30 EFEEMP C=CCCC[NH2+]C[C@H](NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C(C)(C)C ZINC001284623966 1320445541 /nfs/dbraw/zinc/44/55/41/1320445541.db2.gz DFEWRFBTTWRQBY-WMZOPIPTSA-N 2 1 346.519 2.841 10 30 EFEEMP C=CCC[NH2+]C[C@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)C(C)(C)C ZINC001284632404 1320449278 /nfs/dbraw/zinc/44/92/78/1320449278.db2.gz SDLKSEBMTIRVLC-KRWDZBQOSA-N 2 1 348.491 2.581 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCC(C2(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001284853285 1320562283 /nfs/dbraw/zinc/56/22/83/1320562283.db2.gz PCRJBJDEEOIHRW-SJORKVTESA-N 2 1 333.520 2.654 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001284928899 1320602373 /nfs/dbraw/zinc/60/23/73/1320602373.db2.gz ROVAWVRPWYCLLK-PKOBYXMFSA-N 2 1 333.520 2.964 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CC=C(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001284928899 1320602377 /nfs/dbraw/zinc/60/23/77/1320602377.db2.gz ROVAWVRPWYCLLK-PKOBYXMFSA-N 2 1 333.520 2.964 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CC=C(CNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001284928899 1320602381 /nfs/dbraw/zinc/60/23/81/1320602381.db2.gz ROVAWVRPWYCLLK-PKOBYXMFSA-N 2 1 333.520 2.964 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001319535427 1328911103 /nfs/dbraw/zinc/91/11/03/1328911103.db2.gz XJNDUCLAAUMXQA-SXLOBPIMSA-N 2 1 343.515 2.735 10 30 EFEEMP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001319651769 1328938960 /nfs/dbraw/zinc/93/89/60/1328938960.db2.gz QRGYGMOOAOUMRR-RBUKOAKNSA-N 2 1 333.520 2.537 10 30 EFEEMP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C1CCCCC1 ZINC001319657676 1328940927 /nfs/dbraw/zinc/94/09/27/1328940927.db2.gz SWEPOIKQADPZEQ-PMACEKPBSA-N 2 1 347.547 2.785 10 30 EFEEMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001319713536 1328961120 /nfs/dbraw/zinc/96/11/20/1328961120.db2.gz UMNCYCLTGXZYNA-FUHWJXTLSA-N 2 1 332.492 2.765 10 30 EFEEMP C=C(C)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001319819045 1329003018 /nfs/dbraw/zinc/00/30/18/1329003018.db2.gz JGGNCYHQGUVOGZ-IAGOWNOFSA-N 2 1 332.492 2.799 10 30 EFEEMP C=CCO[C@@H]1CC[N@H+](Cc2ccccc2N2CC[NH+](CCC)CC2)C1 ZINC001320092730 1329074639 /nfs/dbraw/zinc/07/46/39/1329074639.db2.gz UXKPXUOKZLOUTF-HXUWFJFHSA-N 2 1 343.515 2.996 10 30 EFEEMP CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001491851070 1323947201 /nfs/dbraw/zinc/94/72/01/1323947201.db2.gz FHVJSYWSGUKNJT-ICSRJNTNSA-N 2 1 335.536 2.881 10 30 EFEEMP C=CCCC[NH2+][C@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001491888640 1323996077 /nfs/dbraw/zinc/99/60/77/1323996077.db2.gz IVPUGWLCFWVIQT-DLBZAZTESA-N 2 1 332.492 2.990 10 30 EFEEMP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001492085204 1324245031 /nfs/dbraw/zinc/24/50/31/1324245031.db2.gz MNBMXEBJTORPBZ-YJBOKZPZSA-N 2 1 327.488 2.650 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001405931749 1366533490 /nfs/dbraw/zinc/53/34/90/1366533490.db2.gz QHEAMDDNOZIIBE-OWCLPIDISA-N 2 1 329.916 2.590 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]2C1 ZINC001316756514 1325111285 /nfs/dbraw/zinc/11/12/85/1325111285.db2.gz CUMCVJMSQPIPFT-MOPGFXCFSA-N 2 1 344.503 2.718 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]2C1 ZINC001316756514 1325111294 /nfs/dbraw/zinc/11/12/94/1325111294.db2.gz CUMCVJMSQPIPFT-MOPGFXCFSA-N 2 1 344.503 2.718 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]2C1 ZINC001316759954 1325113393 /nfs/dbraw/zinc/11/33/93/1325113393.db2.gz YUNOIFTUWUSNMX-CEXWTWQISA-N 2 1 335.536 2.853 10 30 EFEEMP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001316775208 1325130011 /nfs/dbraw/zinc/13/00/11/1325130011.db2.gz YMXNOPUETYCANL-OALUTQOASA-N 2 1 333.520 2.633 10 30 EFEEMP C=CCC[N@@H+](CC)CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001316901892 1325302419 /nfs/dbraw/zinc/30/24/19/1325302419.db2.gz CAJIOEOIGZCQHU-GOSISDBHSA-N 2 1 327.488 2.603 10 30 EFEEMP C=CCC[NH+](CC)CCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001316901892 1325302430 /nfs/dbraw/zinc/30/24/30/1325302430.db2.gz CAJIOEOIGZCQHU-GOSISDBHSA-N 2 1 327.488 2.603 10 30 EFEEMP C=CCC[NH+](CC)CCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001316901892 1325302437 /nfs/dbraw/zinc/30/24/37/1325302437.db2.gz CAJIOEOIGZCQHU-GOSISDBHSA-N 2 1 327.488 2.603 10 30 EFEEMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001316936867 1325386442 /nfs/dbraw/zinc/38/64/42/1325386442.db2.gz FVLSAORGMHGSMV-UHFFFAOYSA-N 2 1 341.927 2.928 10 30 EFEEMP C=C(C)CC[NH+]1CCC(N(CCC)C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001317006897 1325477467 /nfs/dbraw/zinc/47/74/67/1325477467.db2.gz YJWWWEIKWJTXFB-SFHVURJKSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001317013481 1325482869 /nfs/dbraw/zinc/48/28/69/1325482869.db2.gz OGHROYILTWYOHD-MJGOQNOKSA-N 2 1 333.520 2.702 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001317104364 1325572581 /nfs/dbraw/zinc/57/25/81/1325572581.db2.gz JAMYDBFUMGAGFD-OALUTQOASA-N 2 1 333.520 2.607 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001374928318 1342245744 /nfs/dbraw/zinc/24/57/44/1342245744.db2.gz NGHTZWLLRBNDGH-GOEBONIOSA-N 2 1 327.900 2.630 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001317141106 1327634108 /nfs/dbraw/zinc/63/41/08/1327634108.db2.gz XEUBMKQEMNQUMH-GOSISDBHSA-N 2 1 335.536 2.903 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001317168306 1327668201 /nfs/dbraw/zinc/66/82/01/1327668201.db2.gz VNKMMTKCELOKIU-FQEVSTJZSA-N 2 1 343.515 2.913 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001317168306 1327668211 /nfs/dbraw/zinc/66/82/11/1327668211.db2.gz VNKMMTKCELOKIU-FQEVSTJZSA-N 2 1 343.515 2.913 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001317204556 1327736921 /nfs/dbraw/zinc/73/69/21/1327736921.db2.gz DCOHIZGNEZPESN-UYAOXDASSA-N 2 1 343.515 2.911 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001317204556 1327736926 /nfs/dbraw/zinc/73/69/26/1327736926.db2.gz DCOHIZGNEZPESN-UYAOXDASSA-N 2 1 343.515 2.911 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001317204556 1327736931 /nfs/dbraw/zinc/73/69/31/1327736931.db2.gz DCOHIZGNEZPESN-UYAOXDASSA-N 2 1 343.515 2.911 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001317204556 1327736937 /nfs/dbraw/zinc/73/69/37/1327736937.db2.gz DCOHIZGNEZPESN-UYAOXDASSA-N 2 1 343.515 2.911 10 30 EFEEMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001317321033 1327849821 /nfs/dbraw/zinc/84/98/21/1327849821.db2.gz CDVSKFWNTVKQNM-HKUYNNGSSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001317323232 1327852975 /nfs/dbraw/zinc/85/29/75/1327852975.db2.gz UERCRXJUIBEVOA-MSOLQXFVSA-N 2 1 333.520 2.655 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC001317471961 1328061165 /nfs/dbraw/zinc/06/11/65/1328061165.db2.gz SGDJDJMNNGYZKA-OALUTQOASA-N 2 1 347.547 2.596 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(C(C)C)cc1 ZINC001321543754 1329394442 /nfs/dbraw/zinc/39/44/42/1329394442.db2.gz ZMFPLXABMOIFPN-XLIONFOSSA-N 2 1 341.499 2.502 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(C(C)C)cc1 ZINC001321543754 1329394445 /nfs/dbraw/zinc/39/44/45/1329394445.db2.gz ZMFPLXABMOIFPN-XLIONFOSSA-N 2 1 341.499 2.502 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CCC)[C@@H](C)c1ccccc1 ZINC001317541321 1328125980 /nfs/dbraw/zinc/12/59/80/1328125980.db2.gz UQAKVORYDMUMAZ-ICSRJNTNSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CCC)[C@@H](C)c1ccccc1 ZINC001317541321 1328125988 /nfs/dbraw/zinc/12/59/88/1328125988.db2.gz UQAKVORYDMUMAZ-ICSRJNTNSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)[C@@H](C)c1ccccc1 ZINC001317541321 1328125996 /nfs/dbraw/zinc/12/59/96/1328125996.db2.gz UQAKVORYDMUMAZ-ICSRJNTNSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)[C@@H](C)c1ccccc1 ZINC001317541321 1328126003 /nfs/dbraw/zinc/12/60/03/1328126003.db2.gz UQAKVORYDMUMAZ-ICSRJNTNSA-N 2 1 341.499 2.673 10 30 EFEEMP C#CC[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)c1ccc(C(C)C)cc1 ZINC001317712206 1328321515 /nfs/dbraw/zinc/32/15/15/1328321515.db2.gz WVOBDHZHAVUEIL-FXAWDEMLSA-N 2 1 341.499 2.532 10 30 EFEEMP CC#CC[N@@H+]1CC[C@H](N(CCC)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001317772871 1328369755 /nfs/dbraw/zinc/36/97/55/1328369755.db2.gz MYVQIBAYUDOOOG-IBGZPJMESA-N 2 1 333.520 2.589 10 30 EFEEMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001317848498 1328416491 /nfs/dbraw/zinc/41/64/91/1328416491.db2.gz MTIFTUYRHZXRCM-QUCCMNQESA-N 2 1 345.531 2.587 10 30 EFEEMP C#CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001317848498 1328416496 /nfs/dbraw/zinc/41/64/96/1328416496.db2.gz MTIFTUYRHZXRCM-QUCCMNQESA-N 2 1 345.531 2.587 10 30 EFEEMP C#CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001317848498 1328416504 /nfs/dbraw/zinc/41/65/04/1328416504.db2.gz MTIFTUYRHZXRCM-QUCCMNQESA-N 2 1 345.531 2.587 10 30 EFEEMP C=C(C)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001317877199 1328434424 /nfs/dbraw/zinc/43/44/24/1328434424.db2.gz UONYYWQBRMLHIO-OALUTQOASA-N 2 1 333.520 2.750 10 30 EFEEMP C=C(C)C[NH+](C)CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001317877199 1328434428 /nfs/dbraw/zinc/43/44/28/1328434428.db2.gz UONYYWQBRMLHIO-OALUTQOASA-N 2 1 333.520 2.750 10 30 EFEEMP C=C(C)C[NH+](C)CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001317877199 1328434432 /nfs/dbraw/zinc/43/44/32/1328434432.db2.gz UONYYWQBRMLHIO-OALUTQOASA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCO[C@H]1CC[N@@H+](C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC001322278195 1329442879 /nfs/dbraw/zinc/44/28/79/1329442879.db2.gz VQVSQZXMPRXPRM-PMACEKPBSA-N 2 1 330.472 2.554 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)CCCC2CCCC2)CC1 ZINC001322308533 1329445274 /nfs/dbraw/zinc/44/52/74/1329445274.db2.gz YOEIGUTYKGSNFN-GOSISDBHSA-N 2 1 347.547 2.739 10 30 EFEEMP C=CCCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001324329433 1329617089 /nfs/dbraw/zinc/61/70/89/1329617089.db2.gz RBOJKIKZQAKPNJ-QGZVFWFLSA-N 2 1 344.503 2.691 10 30 EFEEMP C#CCN(C(=O)C[N@H+]1CC[C@H](C)C1)C1CC[NH+](CCCC(C)C)CC1 ZINC001324419776 1329625269 /nfs/dbraw/zinc/62/52/69/1329625269.db2.gz FKEBPWJPQZYPDG-IBGZPJMESA-N 2 1 347.547 2.691 10 30 EFEEMP C#CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CC/C=C\CC)CC1 ZINC001324431919 1329626787 /nfs/dbraw/zinc/62/67/87/1329626787.db2.gz KENSGCZVFKGQQC-RURPWVQCSA-N 2 1 345.531 2.611 10 30 EFEEMP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C1CCCC1 ZINC001324495456 1329632993 /nfs/dbraw/zinc/63/29/93/1329632993.db2.gz NSTOWNSFKQJVQZ-HKUYNNGSSA-N 2 1 344.503 2.595 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001324655881 1329648670 /nfs/dbraw/zinc/64/86/70/1329648670.db2.gz JJDLUJUZQDYQNE-APWZRJJASA-N 2 1 332.492 2.942 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001324655881 1329648672 /nfs/dbraw/zinc/64/86/72/1329648672.db2.gz JJDLUJUZQDYQNE-APWZRJJASA-N 2 1 332.492 2.942 10 30 EFEEMP C=C(C)C[NH2+][C@@H](CNC(=O)Cn1c[nH+]cc1C)c1ccccc1CC ZINC001325366561 1329683289 /nfs/dbraw/zinc/68/32/89/1329683289.db2.gz NRZADAYDAQOMBQ-IBGZPJMESA-N 2 1 340.471 2.777 10 30 EFEEMP C=CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001325472692 1329690811 /nfs/dbraw/zinc/69/08/11/1329690811.db2.gz CVZQRCOFXMAIQB-PKOBYXMFSA-N 2 1 329.488 2.521 10 30 EFEEMP C=CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001325472692 1329690813 /nfs/dbraw/zinc/69/08/13/1329690813.db2.gz CVZQRCOFXMAIQB-PKOBYXMFSA-N 2 1 329.488 2.521 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001325679029 1329705978 /nfs/dbraw/zinc/70/59/78/1329705978.db2.gz GTLQFXKOWXXEOC-WAAHFUDESA-N 2 1 335.536 2.948 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@H]2C1 ZINC001325754229 1329711036 /nfs/dbraw/zinc/71/10/36/1329711036.db2.gz PUNCIDNECSTWNI-YSTOQKLRSA-N 2 1 347.547 2.852 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@H]2C1 ZINC001325754229 1329711038 /nfs/dbraw/zinc/71/10/38/1329711038.db2.gz PUNCIDNECSTWNI-YSTOQKLRSA-N 2 1 347.547 2.852 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@H]2C1 ZINC001325754229 1329711039 /nfs/dbraw/zinc/71/10/39/1329711039.db2.gz PUNCIDNECSTWNI-YSTOQKLRSA-N 2 1 347.547 2.852 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001325945780 1329727211 /nfs/dbraw/zinc/72/72/11/1329727211.db2.gz IXRUNPOWRHNOKG-VYJAJWGXSA-N 2 1 347.547 2.994 10 30 EFEEMP C=CCC[C@H](C)[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001325945780 1329727213 /nfs/dbraw/zinc/72/72/13/1329727213.db2.gz IXRUNPOWRHNOKG-VYJAJWGXSA-N 2 1 347.547 2.994 10 30 EFEEMP C=CCC[C@H](C)[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001325945780 1329727215 /nfs/dbraw/zinc/72/72/15/1329727215.db2.gz IXRUNPOWRHNOKG-VYJAJWGXSA-N 2 1 347.547 2.994 10 30 EFEEMP C=CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001326449475 1329757821 /nfs/dbraw/zinc/75/78/21/1329757821.db2.gz MIXVVXVTVHUXGC-HXUWFJFHSA-N 2 1 341.499 2.653 10 30 EFEEMP CC#CC[N@@H+](C)Cc1ccccc1CNC(=O)CCC[NH+]1CCCC1 ZINC001326494704 1330304073 /nfs/dbraw/zinc/30/40/73/1330304073.db2.gz QKAXGJAPONDCJK-UHFFFAOYSA-N 2 1 341.499 2.634 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+][C@@H](C)CCC=C)CC1 ZINC001326520833 1330309527 /nfs/dbraw/zinc/30/95/27/1330309527.db2.gz FZIZEWQKHOVPMB-MUGJNUQGSA-N 2 1 345.531 2.703 10 30 EFEEMP 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ZINC001327996577 1330539893 /nfs/dbraw/zinc/53/98/93/1330539893.db2.gz WJVIOWKJBLYSCQ-IBGZPJMESA-N 2 1 345.531 2.635 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCCC2CCC2)CC1 ZINC001327996577 1330539897 /nfs/dbraw/zinc/53/98/97/1330539897.db2.gz WJVIOWKJBLYSCQ-IBGZPJMESA-N 2 1 345.531 2.635 10 30 EFEEMP C=CC[N@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001328082707 1330552615 /nfs/dbraw/zinc/55/26/15/1330552615.db2.gz PNZJLBPDWLYNGZ-HOTGVXAUSA-N 2 1 332.492 2.799 10 30 EFEEMP C=CC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001328082707 1330552617 /nfs/dbraw/zinc/55/26/17/1330552617.db2.gz PNZJLBPDWLYNGZ-HOTGVXAUSA-N 2 1 332.492 2.799 10 30 EFEEMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCCCCC)C(C)(C)C1 ZINC001328099814 1330556248 /nfs/dbraw/zinc/55/62/48/1330556248.db2.gz ZEGSZCSFSHVWSU-SFHVURJKSA-N 2 1 335.536 2.739 10 30 EFEEMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCCCCC)C(C)(C)C1 ZINC001328099814 1330556249 /nfs/dbraw/zinc/55/62/49/1330556249.db2.gz ZEGSZCSFSHVWSU-SFHVURJKSA-N 2 1 335.536 2.739 10 30 EFEEMP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCCCCC)C(C)(C)C1 ZINC001328099814 1330556250 /nfs/dbraw/zinc/55/62/50/1330556250.db2.gz ZEGSZCSFSHVWSU-SFHVURJKSA-N 2 1 335.536 2.739 10 30 EFEEMP C=CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001328588142 1330605359 /nfs/dbraw/zinc/60/53/59/1330605359.db2.gz RSBQOGXPWJFBGR-GOSISDBHSA-N 2 1 344.503 2.500 10 30 EFEEMP C=CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001328588142 1330605362 /nfs/dbraw/zinc/60/53/62/1330605362.db2.gz RSBQOGXPWJFBGR-GOSISDBHSA-N 2 1 344.503 2.500 10 30 EFEEMP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001328686147 1330615680 /nfs/dbraw/zinc/61/56/80/1330615680.db2.gz BPCNLNKKLAKCKM-SMMRIJLZSA-N 2 1 341.499 2.665 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC/C=C\CC)CC1 ZINC001329230573 1330683371 /nfs/dbraw/zinc/68/33/71/1330683371.db2.gz JCPHZWPQONXELC-JSEXARSYSA-N 2 1 345.531 2.800 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC/C=C\CC)CC1 ZINC001329230573 1330683372 /nfs/dbraw/zinc/68/33/72/1330683372.db2.gz JCPHZWPQONXELC-JSEXARSYSA-N 2 1 345.531 2.800 10 30 EFEEMP C=CCC[NH2+]C1CCC(N(C)C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001329256189 1330686570 /nfs/dbraw/zinc/68/65/70/1330686570.db2.gz YLYHSOSSQIMWNO-UHFFFAOYSA-N 2 1 332.492 2.907 10 30 EFEEMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001329940516 1330754168 /nfs/dbraw/zinc/75/41/68/1330754168.db2.gz XVPXLRLWAXXOKY-IBGZPJMESA-N 2 1 347.547 2.883 10 30 EFEEMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001330000695 1330760537 /nfs/dbraw/zinc/76/05/37/1330760537.db2.gz QWSCZWSUYRMUIV-HOTGVXAUSA-N 2 1 332.492 2.799 10 30 EFEEMP C=CCCC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001331058655 1330789949 /nfs/dbraw/zinc/78/99/49/1330789949.db2.gz DVHSXNMPYXLNDN-RTBURBONSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[NH+](C)C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001331058655 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/nfs/dbraw/zinc/92/45/51/1330924551.db2.gz YXIJFMSNKDQJIL-CTNGQTDRSA-N 2 1 341.499 2.808 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)C[NH+](C)Cc3ccccc3)CCC[C@@H]12 ZINC001332121702 1330924555 /nfs/dbraw/zinc/92/45/55/1330924555.db2.gz YXIJFMSNKDQJIL-CTNGQTDRSA-N 2 1 341.499 2.808 10 30 EFEEMP C=CCC[NH+]1CCC([C@H](C)NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001333004557 1331063399 /nfs/dbraw/zinc/06/33/99/1331063399.db2.gz MNPJFRJRFHYIKG-INIZCTEOSA-N 2 1 332.492 2.765 10 30 EFEEMP C=CCC[C@@H](C)[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C)c(F)c1 ZINC001333474028 1331151553 /nfs/dbraw/zinc/15/15/53/1331151553.db2.gz VYNMMUPJZUNVDX-DNVCBOLYSA-N 2 1 347.478 2.980 10 30 EFEEMP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C)c(F)c1 ZINC001333473664 1331152087 /nfs/dbraw/zinc/15/20/87/1331152087.db2.gz QFTLJAALNUTDMS-LJQANCHMSA-N 2 1 347.478 2.982 10 30 EFEEMP C[NH+]1CCN(c2ccc(C[NH2+]CC3CCC(C#N)CC3)cc2F)CC1 ZINC001339876324 1332107827 /nfs/dbraw/zinc/10/78/27/1332107827.db2.gz WYYUKUFAADERSQ-UHFFFAOYSA-N 2 1 344.478 2.997 10 30 EFEEMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001479913192 1332854782 /nfs/dbraw/zinc/85/47/82/1332854782.db2.gz QTJCCURBQVYRCE-RBUKOAKNSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001479913192 1332854785 /nfs/dbraw/zinc/85/47/85/1332854785.db2.gz QTJCCURBQVYRCE-RBUKOAKNSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001479913192 1332854786 /nfs/dbraw/zinc/85/47/86/1332854786.db2.gz QTJCCURBQVYRCE-RBUKOAKNSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001479913192 1332854789 /nfs/dbraw/zinc/85/47/89/1332854789.db2.gz QTJCCURBQVYRCE-RBUKOAKNSA-N 2 1 329.488 2.836 10 30 EFEEMP C[NH+](C)CCOc1ccc(-c2noc([C@H]([NH3+])CCCCC#N)n2)cc1 ZINC000848620511 1334814371 /nfs/dbraw/zinc/81/43/71/1334814371.db2.gz DZUICPQUNIFBQW-MRXNPFEDSA-N 2 1 343.431 2.761 10 30 EFEEMP C[NH+](C)CCOc1ccccc1-c1noc([C@H]([NH3+])CCCCC#N)n1 ZINC000848623346 1334815865 /nfs/dbraw/zinc/81/58/65/1334815865.db2.gz IIXZQPVOEXVPEX-OAHLLOKOSA-N 2 1 343.431 2.761 10 30 EFEEMP C[N@@H+]1C[C@]23C[NH+](CCOc4ccccc4C#N)C[C@@]2(C1)CCCC3 ZINC001414055887 1335549237 /nfs/dbraw/zinc/54/92/37/1335549237.db2.gz BREBUYHRAQGMGM-BGYRXZFFSA-N 2 1 325.456 2.745 10 30 EFEEMP C[N@H+]1C[C@]23C[NH+](CCOc4ccccc4C#N)C[C@@]2(C1)CCCC3 ZINC001414055887 1335549238 /nfs/dbraw/zinc/54/92/38/1335549238.db2.gz BREBUYHRAQGMGM-BGYRXZFFSA-N 2 1 325.456 2.745 10 30 EFEEMP C[NH+]1C[C@]23C[N@H+](CCOc4ccccc4C#N)C[C@@]2(C1)CCCC3 ZINC001414055887 1335549240 /nfs/dbraw/zinc/54/92/40/1335549240.db2.gz BREBUYHRAQGMGM-BGYRXZFFSA-N 2 1 325.456 2.745 10 30 EFEEMP C[NH+]1C[C@]23C[N@@H+](CCOc4ccccc4C#N)C[C@@]2(C1)CCCC3 ZINC001414055887 1335549242 /nfs/dbraw/zinc/54/92/42/1335549242.db2.gz BREBUYHRAQGMGM-BGYRXZFFSA-N 2 1 325.456 2.745 10 30 EFEEMP C[NH+]=C(NCc1ccco1)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000849097955 1335551112 /nfs/dbraw/zinc/55/11/12/1335551112.db2.gz QUUINQDDCBQQAT-FQEVSTJZSA-N 2 1 340.471 2.999 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001366469355 1337612531 /nfs/dbraw/zinc/61/25/31/1337612531.db2.gz GAXQCWWQBFKWKR-ZBFHGGJFSA-N 2 1 327.900 2.630 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001371800320 1340692752 /nfs/dbraw/zinc/69/27/52/1340692752.db2.gz XUTZRSQBWJTYPL-CQSZACIVSA-N 2 1 329.916 2.876 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001372990632 1340865585 /nfs/dbraw/zinc/86/55/85/1340865585.db2.gz GJXAYDGIHOOKDY-DOTOQJQBSA-N 2 1 341.927 2.828 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001373312441 1340986509 /nfs/dbraw/zinc/98/65/09/1340986509.db2.gz LQSZLGUSEBNSGU-SJLPKXTDSA-N 2 1 349.906 2.822 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001373312441 1340986510 /nfs/dbraw/zinc/98/65/10/1340986510.db2.gz 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C=CCCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001479916767 1398020218 /nfs/dbraw/zinc/02/02/18/1398020218.db2.gz RUPYVVGSKBIMBR-LJQANCHMSA-N 2 1 329.488 2.665 10 30 EFEEMP C=CCCC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001479916767 1398020220 /nfs/dbraw/zinc/02/02/20/1398020220.db2.gz RUPYVVGSKBIMBR-LJQANCHMSA-N 2 1 329.488 2.665 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001479916767 1398020223 /nfs/dbraw/zinc/02/02/23/1398020223.db2.gz RUPYVVGSKBIMBR-LJQANCHMSA-N 2 1 329.488 2.665 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001479916767 1398020224 /nfs/dbraw/zinc/02/02/24/1398020224.db2.gz RUPYVVGSKBIMBR-LJQANCHMSA-N 2 1 329.488 2.665 10 30 EFEEMP CCCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001479962122 1398048104 /nfs/dbraw/zinc/04/81/04/1398048104.db2.gz WENOVPLFUMTJOB-ROUUACIJSA-N 2 1 346.519 2.915 10 30 EFEEMP CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001479962122 1398048107 /nfs/dbraw/zinc/04/81/07/1398048107.db2.gz WENOVPLFUMTJOB-ROUUACIJSA-N 2 1 346.519 2.915 10 30 EFEEMP C#CCC[NH+]1CCC(N(CCC)C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001479994187 1398080154 /nfs/dbraw/zinc/08/01/54/1398080154.db2.gz GHROXRXIZHLHKK-IBGZPJMESA-N 2 1 347.547 2.835 10 30 EFEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001480082369 1398118408 /nfs/dbraw/zinc/11/84/08/1398118408.db2.gz UZUKTRQATHTHDW-IBGZPJMESA-N 2 1 347.547 2.835 10 30 EFEEMP CC#CC[NH+](C)C[C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001480082369 1398118413 /nfs/dbraw/zinc/11/84/13/1398118413.db2.gz UZUKTRQATHTHDW-IBGZPJMESA-N 2 1 347.547 2.835 10 30 EFEEMP CC#CC[NH+](C)C[C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001480082369 1398118415 /nfs/dbraw/zinc/11/84/15/1398118415.db2.gz UZUKTRQATHTHDW-IBGZPJMESA-N 2 1 347.547 2.835 10 30 EFEEMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001480086407 1398123768 /nfs/dbraw/zinc/12/37/68/1398123768.db2.gz XVRIGEYVBDAJNI-APWZRJJASA-N 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C=CCCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001480823459 1398334575 /nfs/dbraw/zinc/33/45/75/1398334575.db2.gz JHWVQHNLHOVYHQ-RTBURBONSA-N 2 1 333.520 2.655 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](CC/C=C/CCC)C2)CC1 ZINC001493266342 1398574992 /nfs/dbraw/zinc/57/49/92/1398574992.db2.gz FGHHZWZSLBRAMR-GHOSXJJBSA-N 2 1 345.531 2.516 10 30 EFEEMP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001493849769 1398921697 /nfs/dbraw/zinc/92/16/97/1398921697.db2.gz KBCWFRHDTNMOAK-APWZRJJASA-N 2 1 329.488 2.692 10 30 EFEEMP C=C(C)C[N@H+](CCCNC(=O)c1cc([C@H]2CCCN2C)n[nH]1)C(C)C ZINC001493859158 1398929133 /nfs/dbraw/zinc/92/91/33/1398929133.db2.gz NEZXDEWBBCRGNW-GOSISDBHSA-N 2 1 347.507 2.583 10 30 EFEEMP C=C(C)C[N@H+](CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C(C)C ZINC001493869564 1398937513 /nfs/dbraw/zinc/93/75/13/1398937513.db2.gz DCYNXQODWVAXRC-IBGZPJMESA-N 2 1 341.515 2.992 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H]1C ZINC001507384808 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VSFDJZGWIZUSEJ-LJQANCHMSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001494197109 1399205152 /nfs/dbraw/zinc/20/51/52/1399205152.db2.gz VSFDJZGWIZUSEJ-LJQANCHMSA-N 2 1 333.520 2.750 10 30 EFEEMP C=C(Cl)C[N@H+](C)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001494213752 1399217785 /nfs/dbraw/zinc/21/77/85/1399217785.db2.gz AURFYCXZRUDGKM-HZPDHXFCSA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(C)CC[N@H+](C)CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001494214190 1399218437 /nfs/dbraw/zinc/21/84/37/1399218437.db2.gz HCZWIYRRXGYKFR-UHFFFAOYSA-N 2 1 335.536 2.999 10 30 EFEEMP C=C(Cl)C[NH2+]CC1(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CCCC1 ZINC001495167130 1399710315 /nfs/dbraw/zinc/71/03/15/1399710315.db2.gz FQDDBTABFKMUNP-JKSUJKDBSA-N 2 1 339.911 2.774 10 30 EFEEMP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001495355797 1399899364 /nfs/dbraw/zinc/89/93/64/1399899364.db2.gz HUYOCIJFKXYYND-IRXDYDNUSA-N 2 1 332.492 2.801 10 30 EFEEMP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001495361537 1399906101 /nfs/dbraw/zinc/90/61/01/1399906101.db2.gz YUYNONLEZUGZAF-RBUKOAKNSA-N 2 1 335.536 2.901 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CC/C=C\CC)C1 ZINC001495364406 1399909068 /nfs/dbraw/zinc/90/90/68/1399909068.db2.gz WBEXVKFUDHQVQM-XSXCZSQGSA-N 2 1 345.531 2.659 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CC/C=C\CC)C1 ZINC001495364406 1399909070 /nfs/dbraw/zinc/90/90/70/1399909070.db2.gz WBEXVKFUDHQVQM-XSXCZSQGSA-N 2 1 345.531 2.659 10 30 EFEEMP CC#CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001495414530 1399960004 /nfs/dbraw/zinc/96/00/04/1399960004.db2.gz BLHDZBIXRNCVBE-FQEVSTJZSA-N 2 1 345.531 2.635 10 30 EFEEMP C=CCCC[NH2+]CCC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001495415608 1399960881 /nfs/dbraw/zinc/96/08/81/1399960881.db2.gz MALLMXIQRSECMQ-RBUKOAKNSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCC[NH2+]CCC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001495417440 1399963064 /nfs/dbraw/zinc/96/30/64/1399963064.db2.gz BDCMIXAKJCCGHC-RBUKOAKNSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCCC[NH+]1CCC2(C1)CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)CC2 ZINC001495603205 1400111620 /nfs/dbraw/zinc/11/16/20/1400111620.db2.gz VMERSLVTBIDAIF-SFHVURJKSA-N 2 1 333.520 2.609 10 30 EFEEMP C=CCCC[N@H+]1CCC2(C1)CCN(C(=O)C[C@@H]1CC[NH+](C)C1)CC2 ZINC001495603205 1400111630 /nfs/dbraw/zinc/11/16/30/1400111630.db2.gz VMERSLVTBIDAIF-SFHVURJKSA-N 2 1 333.520 2.609 10 30 EFEEMP C=CCCC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@@H]1CC[NH+](C)C1)CC2 ZINC001495603205 1400111640 /nfs/dbraw/zinc/11/16/40/1400111640.db2.gz VMERSLVTBIDAIF-SFHVURJKSA-N 2 1 333.520 2.609 10 30 EFEEMP C=C(C)CC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C(C)C)CCCC1 ZINC001495948995 1400375098 /nfs/dbraw/zinc/37/50/98/1400375098.db2.gz MSRFKKDMALSEAU-UHFFFAOYSA-N 2 1 332.492 2.991 10 30 EFEEMP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001496288559 1400604072 /nfs/dbraw/zinc/60/40/72/1400604072.db2.gz ODMCIIPABMWPNH-YJBOKZPZSA-N 2 1 327.488 2.505 10 30 EFEEMP CC#CC[NH2+]C[C@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C1CCCCC1 ZINC001496313502 1400629428 /nfs/dbraw/zinc/62/94/28/1400629428.db2.gz XGBPUDLHRHHJEU-MOPGFXCFSA-N 2 1 333.520 2.539 10 30 EFEEMP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C1CCCCC1 ZINC001496320765 1400637000 /nfs/dbraw/zinc/63/70/00/1400637000.db2.gz QGSXLRAJQLZQMN-UXHICEINSA-N 2 1 347.547 2.786 10 30 EFEEMP CC#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001496443809 1400734062 /nfs/dbraw/zinc/73/40/62/1400734062.db2.gz IIGOTVDIMDNVDQ-ROUUACIJSA-N 2 1 347.547 2.879 10 30 EFEEMP C#CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001496504903 1400780341 /nfs/dbraw/zinc/78/03/41/1400780341.db2.gz MEKOVEOUJNYQOA-FQEVSTJZSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001496504903 1400780347 /nfs/dbraw/zinc/78/03/47/1400780347.db2.gz MEKOVEOUJNYQOA-FQEVSTJZSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001496504903 1400780351 /nfs/dbraw/zinc/78/03/51/1400780351.db2.gz MEKOVEOUJNYQOA-FQEVSTJZSA-N 2 1 345.531 2.587 10 30 EFEEMP CCCCCCC[N@H+]1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@H]21 ZINC001496866803 1401062733 /nfs/dbraw/zinc/06/27/33/1401062733.db2.gz JAOXCWCQILQADB-RBUKOAKNSA-N 2 1 347.547 2.975 10 30 EFEEMP C=C(Cl)C[NH2+]CCN(CC)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001497414073 1401358155 /nfs/dbraw/zinc/35/81/55/1401358155.db2.gz GIPOSYAXEFNKJG-UHFFFAOYSA-N 2 1 329.916 2.830 10 30 EFEEMP C=CCC[C@@H](C)[NH2+]CCN(CC)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001497441798 1401377235 /nfs/dbraw/zinc/37/72/35/1401377235.db2.gz KWNMKHNWHLZSQE-WBVHZDCISA-N 2 1 332.492 2.547 10 30 EFEEMP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(C)(C)C ZINC001507939186 1407217081 /nfs/dbraw/zinc/21/70/81/1407217081.db2.gz NPAOTKXSFRUYIX-MJGOQNOKSA-N 2 1 347.547 2.785 10 30 EFEEMP C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC2)C1 ZINC001499477774 1402632757 /nfs/dbraw/zinc/63/27/57/1402632757.db2.gz HNJMFDHGKWJAQV-WOJBJXKFSA-N 2 1 347.547 2.691 10 30 EFEEMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001499530601 1402665373 /nfs/dbraw/zinc/66/53/73/1402665373.db2.gz TZPRRJNZZQNGCB-FQEVSTJZSA-N 2 1 347.547 2.996 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001499613663 1402718911 /nfs/dbraw/zinc/71/89/11/1402718911.db2.gz GNQMRDBVSHPGBR-PKOBYXMFSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001499620210 1402724372 /nfs/dbraw/zinc/72/43/72/1402724372.db2.gz SZNIRRATNYBLAA-TZIWHRDSSA-N 2 1 347.547 2.997 10 30 EFEEMP C#CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001500030042 1402905878 /nfs/dbraw/zinc/90/58/78/1402905878.db2.gz WRNGJLOQAGLCEU-FQEVSTJZSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001500038143 1402908992 /nfs/dbraw/zinc/90/89/92/1402908992.db2.gz VUGNYQKSYULYBJ-QWFCFKBJSA-N 2 1 345.531 2.608 10 30 EFEEMP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001500371853 1403080494 /nfs/dbraw/zinc/08/04/94/1403080494.db2.gz CDRIXXWJZXZYML-UYAOXDASSA-N 2 1 335.536 2.903 10 30 EFEEMP C#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001500519396 1403190710 /nfs/dbraw/zinc/19/07/10/1403190710.db2.gz NWNDLVDPHWZGPJ-CTNGQTDRSA-N 2 1 345.531 2.635 10 30 EFEEMP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001500519396 1403190713 /nfs/dbraw/zinc/19/07/13/1403190713.db2.gz NWNDLVDPHWZGPJ-CTNGQTDRSA-N 2 1 345.531 2.635 10 30 EFEEMP C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001500519396 1403190716 /nfs/dbraw/zinc/19/07/16/1403190716.db2.gz NWNDLVDPHWZGPJ-CTNGQTDRSA-N 2 1 345.531 2.635 10 30 EFEEMP C=CCC[NH+]1CCC(C2(NC(=O)Cn3cc[nH+]c3C(C)C)CC2)CC1 ZINC001508166413 1407327423 /nfs/dbraw/zinc/32/74/23/1407327423.db2.gz QLJODITVAOYUBH-UHFFFAOYSA-N 2 1 344.503 2.943 10 30 EFEEMP C=CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001501015259 1403405357 /nfs/dbraw/zinc/40/53/57/1403405357.db2.gz AMQTUTKYAWAUAV-WOJBJXKFSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CC[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)c1ccccc1CC ZINC001501022834 1403410340 /nfs/dbraw/zinc/41/03/40/1403410340.db2.gz RZHASEJRVBWKBI-QFBILLFUSA-N 2 1 329.488 2.524 10 30 EFEEMP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCCn1cc[nH+]c1C)C2 ZINC001501171667 1403474186 /nfs/dbraw/zinc/47/41/86/1403474186.db2.gz GTBCXUYQCQHVIV-REPLKXPHSA-N 2 1 344.503 2.907 10 30 EFEEMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCCn1cc[nH+]c1C)C2 ZINC001501171667 1403474187 /nfs/dbraw/zinc/47/41/87/1403474187.db2.gz GTBCXUYQCQHVIV-REPLKXPHSA-N 2 1 344.503 2.907 10 30 EFEEMP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001501186705 1403482412 /nfs/dbraw/zinc/48/24/12/1403482412.db2.gz PRSDDLQSAVLGJU-IYARVYRRSA-N 2 1 344.503 2.542 10 30 EFEEMP C=C(Cl)C[NH2+]CCN(Cc1ccccc1)C(=O)Cn1c[nH+]cc1C ZINC001501196304 1403487658 /nfs/dbraw/zinc/48/76/58/1403487658.db2.gz YNOFDWVUZNYCAN-UHFFFAOYSA-N 2 1 346.862 2.562 10 30 EFEEMP C=CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001501196224 1403487863 /nfs/dbraw/zinc/48/78/63/1403487863.db2.gz WDUBIAPYTQYTOX-LJQANCHMSA-N 2 1 329.488 2.665 10 30 EFEEMP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001501618335 1403648823 /nfs/dbraw/zinc/64/88/23/1403648823.db2.gz KJTUIFVPUSOCTI-HNNXBMFYSA-N 2 1 329.916 2.545 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001501707799 1403736759 /nfs/dbraw/zinc/73/67/59/1403736759.db2.gz NJONFCBSZHYALY-BZSNNMDCSA-N 2 1 344.503 2.595 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001501746799 1403762918 /nfs/dbraw/zinc/76/29/18/1403762918.db2.gz RQYSTQKNENAZEY-MSOLQXFVSA-N 2 1 333.520 2.607 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC/C=C/CCC)CC1 ZINC001502126022 1404017960 /nfs/dbraw/zinc/01/79/60/1404017960.db2.gz OJQRCRQWHHBXKC-HEVSSNLLSA-N 2 1 345.531 2.801 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC/C=C/CCC)CC1 ZINC001502126022 1404017965 /nfs/dbraw/zinc/01/79/65/1404017965.db2.gz OJQRCRQWHHBXKC-HEVSSNLLSA-N 2 1 345.531 2.801 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC/C=C/CCC)CC1 ZINC001502126022 1404017972 /nfs/dbraw/zinc/01/79/72/1404017972.db2.gz OJQRCRQWHHBXKC-HEVSSNLLSA-N 2 1 345.531 2.801 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC/C=C/CCC)CC1 ZINC001502126022 1404017979 /nfs/dbraw/zinc/01/79/79/1404017979.db2.gz OJQRCRQWHHBXKC-HEVSSNLLSA-N 2 1 345.531 2.801 10 30 EFEEMP C=CCC[NH2+]C1(CC)CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001502510631 1404209885 /nfs/dbraw/zinc/20/98/85/1404209885.db2.gz YVMRYHQAQKQBEF-UHFFFAOYSA-N 2 1 332.492 2.909 10 30 EFEEMP C=CCCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001502545670 1404235179 /nfs/dbraw/zinc/23/51/79/1404235179.db2.gz FKBFJCWRGOYSNW-AZUAARDMSA-N 2 1 333.520 2.609 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001502545670 1404235187 /nfs/dbraw/zinc/23/51/87/1404235187.db2.gz FKBFJCWRGOYSNW-AZUAARDMSA-N 2 1 333.520 2.609 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001502545670 1404235193 /nfs/dbraw/zinc/23/51/93/1404235193.db2.gz FKBFJCWRGOYSNW-AZUAARDMSA-N 2 1 333.520 2.609 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001502782744 1404341326 /nfs/dbraw/zinc/34/13/26/1404341326.db2.gz VCMAVGAQIVQSQW-OALUTQOASA-N 2 1 347.547 2.737 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001502782744 1404341329 /nfs/dbraw/zinc/34/13/29/1404341329.db2.gz VCMAVGAQIVQSQW-OALUTQOASA-N 2 1 347.547 2.737 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)Cn2ccnc2C)C(C)(C)C1 ZINC001502836515 1404394597 /nfs/dbraw/zinc/39/45/97/1404394597.db2.gz PYSFGMLPQZIHTI-WBVHZDCISA-N 2 1 332.492 2.763 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC001502836515 1404394602 /nfs/dbraw/zinc/39/46/02/1404394602.db2.gz PYSFGMLPQZIHTI-WBVHZDCISA-N 2 1 332.492 2.763 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC001502836515 1404394609 /nfs/dbraw/zinc/39/46/09/1404394609.db2.gz PYSFGMLPQZIHTI-WBVHZDCISA-N 2 1 332.492 2.763 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001502988513 1404451239 /nfs/dbraw/zinc/45/12/39/1404451239.db2.gz NZOMSKWINPNDHY-AEFFLSMTSA-N 2 1 332.492 2.907 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001502988513 1404451242 /nfs/dbraw/zinc/45/12/42/1404451242.db2.gz NZOMSKWINPNDHY-AEFFLSMTSA-N 2 1 332.492 2.907 10 30 EFEEMP C=CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001503691273 1404500047 /nfs/dbraw/zinc/50/00/47/1404500047.db2.gz LLGXKOOTBNYLMA-RTBURBONSA-N 2 1 329.488 2.618 10 30 EFEEMP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC001505432803 1404596776 /nfs/dbraw/zinc/59/67/76/1404596776.db2.gz SSNBTDGVKMRIOQ-MRXNPFEDSA-N 2 1 335.517 2.922 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1CC ZINC001505465151 1404689852 /nfs/dbraw/zinc/68/98/52/1404689852.db2.gz GIGCXLHPTFBPEX-JKSUJKDBSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001505465151 1404689870 /nfs/dbraw/zinc/68/98/70/1404689870.db2.gz GIGCXLHPTFBPEX-JKSUJKDBSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1CC ZINC001505465151 1404689883 /nfs/dbraw/zinc/68/98/83/1404689883.db2.gz GIGCXLHPTFBPEX-JKSUJKDBSA-N 2 1 327.900 2.536 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1CC ZINC001505465151 1404689896 /nfs/dbraw/zinc/68/98/96/1404689896.db2.gz GIGCXLHPTFBPEX-JKSUJKDBSA-N 2 1 327.900 2.536 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCCC[NH+](C)C)CC2)C1 ZINC001505476347 1404713696 /nfs/dbraw/zinc/71/36/96/1404713696.db2.gz XEEPDHARUFNRNC-HXUWFJFHSA-N 2 1 347.547 2.692 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CC2CCC(C)CC2)CC1 ZINC001506065175 1405425699 /nfs/dbraw/zinc/42/56/99/1405425699.db2.gz KUZIYNHLYFZAEK-JLAWEPINSA-N 2 1 347.547 2.594 10 30 EFEEMP C=C(C)C[NH2+][C@H](CCN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001506492422 1405845706 /nfs/dbraw/zinc/84/57/06/1405845706.db2.gz XTNDCFYZRMHUCO-PKOBYXMFSA-N 2 1 346.519 2.793 10 30 EFEEMP C=CC[NH2+]CC1(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CCCCC1 ZINC001506505392 1405869679 /nfs/dbraw/zinc/86/96/79/1405869679.db2.gz PDQJOJWJLUJBHP-MRXNPFEDSA-N 2 1 332.492 2.991 10 30 EFEEMP C=C(C)CC[NH2+]CC1(NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CCCCC1 ZINC001506522311 1405902151 /nfs/dbraw/zinc/90/21/51/1405902151.db2.gz MNNHDMSPVLNNMT-IBGZPJMESA-N 2 1 333.520 2.847 10 30 EFEEMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001506564023 1405969094 /nfs/dbraw/zinc/96/90/94/1405969094.db2.gz OHXBARXSKBKLFB-GOSISDBHSA-N 2 1 333.520 2.635 10 30 EFEEMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001506576233 1405992663 /nfs/dbraw/zinc/99/26/63/1405992663.db2.gz RLIXAZFKVVSDBA-RTBURBONSA-N 2 1 333.520 2.635 10 30 EFEEMP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001565971595 1415466582 /nfs/dbraw/zinc/46/65/82/1415466582.db2.gz FREPFIQFELVOFC-SUMDDJOVSA-N 2 1 344.503 2.547 10 30 EFEEMP C=CCCC[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[N@H+](C)CCC ZINC001565994392 1415474158 /nfs/dbraw/zinc/47/41/58/1415474158.db2.gz FYFGWAMWNBRVRG-NZSAHSFTSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+](C)CCC ZINC001565994392 1415474161 /nfs/dbraw/zinc/47/41/61/1415474161.db2.gz FYFGWAMWNBRVRG-NZSAHSFTSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+](C)CCC ZINC001565994392 1415474165 /nfs/dbraw/zinc/47/41/65/1415474165.db2.gz FYFGWAMWNBRVRG-NZSAHSFTSA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)[C@H]21 ZINC001565994805 1415475226 /nfs/dbraw/zinc/47/52/26/1415475226.db2.gz KLPOLZDETNHKKG-QRQLOZEOSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1C(F)(F)F ZINC001566002273 1415479106 /nfs/dbraw/zinc/47/91/06/1415479106.db2.gz VTYOLRLXDNLBFO-LSDHHAIUSA-N 2 1 349.441 2.519 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001566055457 1415494318 /nfs/dbraw/zinc/49/43/18/1415494318.db2.gz WOPQIPJSHNLIMD-AABGKKOBSA-N 2 1 347.547 2.853 10 30 EFEEMP C=CCCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001566530126 1415617871 /nfs/dbraw/zinc/61/78/71/1415617871.db2.gz ZWHXIGZNAZDICD-QAPCUYQASA-N 2 1 348.491 2.675 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](CCC(C)(C)C)C2CC2)CC1 ZINC001566604267 1415690006 /nfs/dbraw/zinc/69/00/06/1415690006.db2.gz TZXKFVPBCNFWQI-UHFFFAOYSA-N 2 1 347.547 2.739 10 30 EFEEMP CC#CC[NH+]1CCC(N(C)C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001566609640 1415693748 /nfs/dbraw/zinc/69/37/48/1415693748.db2.gz YJYALNPBFYBUCV-UHFFFAOYSA-N 2 1 333.520 2.586 10 30 EFEEMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001566692289 1415734227 /nfs/dbraw/zinc/73/42/27/1415734227.db2.gz DNJZQLIQBOALFR-KRWDZBQOSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001566692290 1415734133 /nfs/dbraw/zinc/73/41/33/1415734133.db2.gz DNJZQLIQBOALFR-QGZVFWFLSA-N 2 1 335.536 2.901 10 30 EFEEMP C#CCC[NH+]1CCC(N(CCC)C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001566699977 1415738545 /nfs/dbraw/zinc/73/85/45/1415738545.db2.gz UUFGSODAYJEWMT-AZUAARDMSA-N 2 1 345.531 2.730 10 30 EFEEMP C=CCCCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001566756587 1415765026 /nfs/dbraw/zinc/76/50/26/1415765026.db2.gz RUYFDNHQJSYLIA-QRVBRYPASA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001566759044 1415766336 /nfs/dbraw/zinc/76/63/36/1415766336.db2.gz YXJOMQPCMJZMNM-GBESFXJTSA-N 2 1 333.520 2.892 10 30 EFEEMP CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001566803571 1415779948 /nfs/dbraw/zinc/77/99/48/1415779948.db2.gz FKZMNRBEQPZRRE-BZSNNMDCSA-N 2 1 346.519 2.961 10 30 EFEEMP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001566878476 1415819649 /nfs/dbraw/zinc/81/96/49/1415819649.db2.gz QVPHKXQLYKVDFC-VQIMIIECSA-N 2 1 339.499 2.603 10 30 EFEEMP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001566878476 1415819651 /nfs/dbraw/zinc/81/96/51/1415819651.db2.gz QVPHKXQLYKVDFC-VQIMIIECSA-N 2 1 339.499 2.603 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001566878476 1415819654 /nfs/dbraw/zinc/81/96/54/1415819654.db2.gz QVPHKXQLYKVDFC-VQIMIIECSA-N 2 1 339.499 2.603 10 30 EFEEMP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001566878475 1415819876 /nfs/dbraw/zinc/81/98/76/1415819876.db2.gz QVPHKXQLYKVDFC-QFBILLFUSA-N 2 1 339.499 2.603 10 30 EFEEMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001566878475 1415819883 /nfs/dbraw/zinc/81/98/83/1415819883.db2.gz QVPHKXQLYKVDFC-QFBILLFUSA-N 2 1 339.499 2.603 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001566878475 1415819889 /nfs/dbraw/zinc/81/98/89/1415819889.db2.gz QVPHKXQLYKVDFC-QFBILLFUSA-N 2 1 339.499 2.603 10 30 EFEEMP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001566895334 1415828392 /nfs/dbraw/zinc/82/83/92/1415828392.db2.gz GTYGCOPIPBPIII-PKOBYXMFSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001566929904 1415853719 /nfs/dbraw/zinc/85/37/19/1415853719.db2.gz LQYPBGNFLZUPPB-RBUKOAKNSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001566929904 1415853727 /nfs/dbraw/zinc/85/37/27/1415853727.db2.gz LQYPBGNFLZUPPB-RBUKOAKNSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001566972955 1415883213 /nfs/dbraw/zinc/88/32/13/1415883213.db2.gz CDHDGKYXRSANOY-UHZRXMQZSA-N 2 1 345.531 2.796 10 30 EFEEMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001566972955 1415883215 /nfs/dbraw/zinc/88/32/15/1415883215.db2.gz CDHDGKYXRSANOY-UHZRXMQZSA-N 2 1 345.531 2.796 10 30 EFEEMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001566972955 1415883219 /nfs/dbraw/zinc/88/32/19/1415883219.db2.gz CDHDGKYXRSANOY-UHZRXMQZSA-N 2 1 345.531 2.796 10 30 EFEEMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)CN(C)Cc2ccccc2)C1 ZINC001567203235 1415994146 /nfs/dbraw/zinc/99/41/46/1415994146.db2.gz PXXZJAJDUBLNIA-IBGZPJMESA-N 2 1 329.488 2.617 10 30 EFEEMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001567203235 1415994149 /nfs/dbraw/zinc/99/41/49/1415994149.db2.gz PXXZJAJDUBLNIA-IBGZPJMESA-N 2 1 329.488 2.617 10 30 EFEEMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001567203235 1415994152 /nfs/dbraw/zinc/99/41/52/1415994152.db2.gz PXXZJAJDUBLNIA-IBGZPJMESA-N 2 1 329.488 2.617 10 30 EFEEMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001567203235 1415994154 /nfs/dbraw/zinc/99/41/54/1415994154.db2.gz PXXZJAJDUBLNIA-IBGZPJMESA-N 2 1 329.488 2.617 10 30 EFEEMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001567203235 1415994156 /nfs/dbraw/zinc/99/41/56/1415994156.db2.gz PXXZJAJDUBLNIA-IBGZPJMESA-N 2 1 329.488 2.617 10 30 EFEEMP C=CCCC[NH2+][C@H](C)CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001567230540 1416003889 /nfs/dbraw/zinc/00/38/89/1416003889.db2.gz KIQKNUWCQYNMOA-QAPCUYQASA-N 2 1 327.488 2.650 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001567255745 1416027063 /nfs/dbraw/zinc/02/70/63/1416027063.db2.gz XCMAEDDCQJCLOJ-ICSRJNTNSA-N 2 1 345.531 2.778 10 30 EFEEMP C#CCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001567255745 1416027070 /nfs/dbraw/zinc/02/70/70/1416027070.db2.gz XCMAEDDCQJCLOJ-ICSRJNTNSA-N 2 1 345.531 2.778 10 30 EFEEMP C#CCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001567255745 1416027077 /nfs/dbraw/zinc/02/70/77/1416027077.db2.gz XCMAEDDCQJCLOJ-ICSRJNTNSA-N 2 1 345.531 2.778 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001567415501 1416125482 /nfs/dbraw/zinc/12/54/82/1416125482.db2.gz KIDNLYHOVNTFAP-GOSISDBHSA-N 2 1 333.520 2.513 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001567419772 1416129278 /nfs/dbraw/zinc/12/92/78/1416129278.db2.gz UNDUBQQXUDLIBA-MJGOQNOKSA-N 2 1 329.488 2.694 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001567419772 1416129283 /nfs/dbraw/zinc/12/92/83/1416129283.db2.gz UNDUBQQXUDLIBA-MJGOQNOKSA-N 2 1 329.488 2.694 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001567419770 1416129521 /nfs/dbraw/zinc/12/95/21/1416129521.db2.gz UNDUBQQXUDLIBA-HKUYNNGSSA-N 2 1 329.488 2.694 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001567419770 1416129524 /nfs/dbraw/zinc/12/95/24/1416129524.db2.gz UNDUBQQXUDLIBA-HKUYNNGSSA-N 2 1 329.488 2.694 10 30 EFEEMP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001567627290 1416215962 /nfs/dbraw/zinc/21/59/62/1416215962.db2.gz RJQHWHIRYHTYJZ-PXNSSMCTSA-N 2 1 345.531 2.633 10 30 EFEEMP C=CC[NH2+][C@@H](C)C1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001567630716 1416217707 /nfs/dbraw/zinc/21/77/07/1416217707.db2.gz XTUVHYLDEFNDQJ-SFHVURJKSA-N 2 1 343.515 2.564 10 30 EFEEMP CC[C@@H](C(=O)NCCC[N@@H+](CC#Cc1ccccc1)C(C)C)[NH+](C)C ZINC001567651065 1416230945 /nfs/dbraw/zinc/23/09/45/1416230945.db2.gz AERDXBXTHYMZMB-FQEVSTJZSA-N 2 1 343.515 2.595 10 30 EFEEMP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)c1ccccc1 ZINC001567661488 1416235546 /nfs/dbraw/zinc/23/55/46/1416235546.db2.gz ZPSLPRJVEMWJGI-MOPGFXCFSA-N 2 1 329.488 2.740 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001567702420 1416254510 /nfs/dbraw/zinc/25/45/10/1416254510.db2.gz CUZDPZZAJJECES-MSOLQXFVSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001567702423 1416254641 /nfs/dbraw/zinc/25/46/41/1416254641.db2.gz CUZDPZZAJJECES-ZWKOTPCHSA-N 2 1 333.520 2.798 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001567703519 1416255305 /nfs/dbraw/zinc/25/53/05/1416255305.db2.gz VKZZHTZWGMRURX-RTBURBONSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001567703519 1416255310 /nfs/dbraw/zinc/25/53/10/1416255310.db2.gz VKZZHTZWGMRURX-RTBURBONSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001567703519 1416255314 /nfs/dbraw/zinc/25/53/14/1416255314.db2.gz VKZZHTZWGMRURX-RTBURBONSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001567703121 1416255558 /nfs/dbraw/zinc/25/55/58/1416255558.db2.gz PMCVUFSOHTVZHJ-MRXNPFEDSA-N 2 1 326.444 2.661 10 30 EFEEMP C=CC[NH+]1CC[C@H](CCNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001567713157 1416258426 /nfs/dbraw/zinc/25/84/26/1416258426.db2.gz XTYKVLLIGLCGRW-HKUYNNGSSA-N 2 1 329.488 2.694 10 30 EFEEMP C=CC[N@H+]1CC[C@H](CCNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001567713157 1416258428 /nfs/dbraw/zinc/25/84/28/1416258428.db2.gz XTYKVLLIGLCGRW-HKUYNNGSSA-N 2 1 329.488 2.694 10 30 EFEEMP C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001567713157 1416258429 /nfs/dbraw/zinc/25/84/29/1416258429.db2.gz XTYKVLLIGLCGRW-HKUYNNGSSA-N 2 1 329.488 2.694 10 30 EFEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001567735820 1416264423 /nfs/dbraw/zinc/26/44/23/1416264423.db2.gz QJIPTAKYAOFIEA-SFHVURJKSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[NH+](C)C[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001567735820 1416264427 /nfs/dbraw/zinc/26/44/27/1416264427.db2.gz QJIPTAKYAOFIEA-SFHVURJKSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[NH+](C)C[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001567735820 1416264430 /nfs/dbraw/zinc/26/44/30/1416264430.db2.gz QJIPTAKYAOFIEA-SFHVURJKSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001567793747 1416284478 /nfs/dbraw/zinc/28/44/78/1416284478.db2.gz KFSKRTJPWUJRMC-IRXDYDNUSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001567793745 1416284738 /nfs/dbraw/zinc/28/47/38/1416284738.db2.gz KFSKRTJPWUJRMC-DLBZAZTESA-N 2 1 333.520 2.796 10 30 EFEEMP C=CCCCCC[NH+]1CC(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001567841037 1416294839 /nfs/dbraw/zinc/29/48/39/1416294839.db2.gz NHXJCQXEUNXWJX-SFHVURJKSA-N 2 1 344.503 2.548 10 30 EFEEMP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001568070765 1416394801 /nfs/dbraw/zinc/39/48/01/1416394801.db2.gz YCERMFINLFXGBM-QGZVFWFLSA-N 2 1 332.492 2.801 10 30 EFEEMP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001568076820 1416398445 /nfs/dbraw/zinc/39/84/45/1416398445.db2.gz RUXSCWQINXLGMV-QUCCMNQESA-N 2 1 341.499 2.531 10 30 EFEEMP C#CCC[NH2+]CCC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001568085303 1416402933 /nfs/dbraw/zinc/40/29/33/1416402933.db2.gz WQARCEBKYQQYLK-KRWDZBQOSA-N 2 1 344.503 2.638 10 30 EFEEMP C#CCC[NH2+]CCC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001568085304 1416402982 /nfs/dbraw/zinc/40/29/82/1416402982.db2.gz WQARCEBKYQQYLK-QGZVFWFLSA-N 2 1 344.503 2.638 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]C[C@H](C)CC)cc1 ZINC001568118486 1416416911 /nfs/dbraw/zinc/41/69/11/1416416911.db2.gz USSRYQVUTKDYLO-XLIONFOSSA-N 2 1 341.499 2.536 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]C[C@H](C)CC)cc1 ZINC001568118486 1416416912 /nfs/dbraw/zinc/41/69/12/1416416912.db2.gz USSRYQVUTKDYLO-XLIONFOSSA-N 2 1 341.499 2.536 10 30 EFEEMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)cc1 ZINC001568121269 1416418022 /nfs/dbraw/zinc/41/80/22/1416418022.db2.gz SUYDKZPWMVGNHK-HXUWFJFHSA-N 2 1 347.478 2.791 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CCC2(C1)CCN(C(=O)C13CC[NH+](CC1)C3)CC2 ZINC001568159101 1416429390 /nfs/dbraw/zinc/42/93/90/1416429390.db2.gz XRQAKEHQNIBJHV-SFHVURJKSA-N 2 1 345.531 2.751 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCC(C)(C)C)CCCC1 ZINC001568237393 1416451206 /nfs/dbraw/zinc/45/12/06/1416451206.db2.gz YSBAAMGQXCVVPP-SFHVURJKSA-N 2 1 347.547 2.929 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCC(C)(C)C)CCCC1 ZINC001568237393 1416451208 /nfs/dbraw/zinc/45/12/08/1416451208.db2.gz YSBAAMGQXCVVPP-SFHVURJKSA-N 2 1 347.547 2.929 10 30 EFEEMP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001568330918 1416479415 /nfs/dbraw/zinc/47/94/15/1416479415.db2.gz HTXIRXHBELYOLJ-MJGOQNOKSA-N 2 1 333.520 2.537 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC(=C)C)C1CCCCC1 ZINC001568344198 1416484595 /nfs/dbraw/zinc/48/45/95/1416484595.db2.gz WSHNIOJZNXAKBG-UXHICEINSA-N 2 1 345.531 2.705 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC(=C)C)C1CCCCC1 ZINC001568344198 1416484597 /nfs/dbraw/zinc/48/45/97/1416484597.db2.gz WSHNIOJZNXAKBG-UXHICEINSA-N 2 1 345.531 2.705 10 30 EFEEMP C=C(Cl)C[N@H+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001689994875 1417125211 /nfs/dbraw/zinc/12/52/11/1417125211.db2.gz MORYMXZLKUZWCO-SJORKVTESA-N 2 1 339.911 2.727 10 30 EFEEMP C=C(Cl)C[N@@H+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001689994875 1417125214 /nfs/dbraw/zinc/12/52/14/1417125214.db2.gz MORYMXZLKUZWCO-SJORKVTESA-N 2 1 339.911 2.727 10 30 EFEEMP C=C(Cl)C[NH+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C1CC1 ZINC001689994875 1417125217 /nfs/dbraw/zinc/12/52/17/1417125217.db2.gz MORYMXZLKUZWCO-SJORKVTESA-N 2 1 339.911 2.727 10 30 EFEEMP C=C(Cl)C[NH+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C1CC1 ZINC001689994875 1417125221 /nfs/dbraw/zinc/12/52/21/1417125221.db2.gz MORYMXZLKUZWCO-SJORKVTESA-N 2 1 339.911 2.727 10 30 EFEEMP C=CCC[N@H+](CCCNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001689995393 1417126176 /nfs/dbraw/zinc/12/61/76/1417126176.db2.gz CQMNSPZJSXTWGS-UHFFFAOYSA-N 2 1 326.444 2.803 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001690103794 1417154896 /nfs/dbraw/zinc/15/48/96/1417154896.db2.gz VMQLYIUAJWOXKB-LJQANCHMSA-N 2 1 329.488 2.561 10 30 EFEEMP C#CCC[NH+]1CCC(N(CCC)C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001690136036 1417162783 /nfs/dbraw/zinc/16/27/83/1417162783.db2.gz BPXPHRTWLFRQEL-UHFFFAOYSA-N 2 1 335.536 2.691 10 30 EFEEMP C=C(C)CC[NH+]1CCC(N(CCC)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001690136432 1417162909 /nfs/dbraw/zinc/16/29/09/1417162909.db2.gz MIXSYBQFHMTKJH-SFHVURJKSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001690356619 1417195021 /nfs/dbraw/zinc/19/50/21/1417195021.db2.gz PHMSNZSCMDOPKL-JEWRLFTDSA-N 2 1 339.499 2.790 10 30 EFEEMP C=CCCCCC[N@@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001690388197 1417206150 /nfs/dbraw/zinc/20/61/50/1417206150.db2.gz DYZWAYGTMTWYHL-SFHVURJKSA-N 2 1 335.536 2.903 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NCCC[C@@H]2CCC[N@@H+]2CC=C(C)C)CC1 ZINC001690919360 1417246353 /nfs/dbraw/zinc/24/63/53/1417246353.db2.gz LTYUAMDPPBILBC-HXUWFJFHSA-N 2 1 345.531 2.659 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)CC(C)(C)C1 ZINC001692275380 1417273685 /nfs/dbraw/zinc/27/36/85/1417273685.db2.gz GDEZILKCVBTCIN-DLBZAZTESA-N 2 1 341.515 2.849 10 30 EFEEMP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001692329820 1417278221 /nfs/dbraw/zinc/27/82/21/1417278221.db2.gz NVSHXSBVFCPTQB-RTBURBONSA-N 2 1 333.520 2.633 10 30 EFEEMP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001692336179 1417279503 /nfs/dbraw/zinc/27/95/03/1417279503.db2.gz HUHBDZPQGZOEPD-VQTJNVASSA-N 2 1 341.499 2.673 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001698710473 1417316400 /nfs/dbraw/zinc/31/64/00/1417316400.db2.gz XZNPEGHTTLGWAB-CADBVGFASA-N 2 1 333.520 2.987 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)CCCC[NH+](C)C)CC2 ZINC001698739124 1417324145 /nfs/dbraw/zinc/32/41/45/1417324145.db2.gz PVOMXXHEXFFMSN-UHFFFAOYSA-N 2 1 341.927 2.785 10 30 EFEEMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CCCC1 ZINC001698804093 1417337754 /nfs/dbraw/zinc/33/77/54/1417337754.db2.gz ROHZZGMITVSWQW-MSOLQXFVSA-N 2 1 333.520 2.988 10 30 EFEEMP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001698921102 1417346990 /nfs/dbraw/zinc/34/69/90/1417346990.db2.gz QBIPTLYBYDRXEW-GOSISDBHSA-N 2 1 332.492 2.909 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@H]21 ZINC001699008397 1417366401 /nfs/dbraw/zinc/36/64/01/1417366401.db2.gz IUBOGVXFAOFGHV-ZWKOTPCHSA-N 2 1 331.504 2.504 10 30 EFEEMP C=CCC[N@H+]1CC[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@@H]21 ZINC001699011498 1417367411 /nfs/dbraw/zinc/36/74/11/1417367411.db2.gz ALYPNYNCUFSSSG-OALUTQOASA-N 2 1 333.520 2.751 10 30 EFEEMP C=C(C)CC[NH2+]CCCN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001699533056 1417428311 /nfs/dbraw/zinc/42/83/11/1417428311.db2.gz AMEQUFXSAUHRKI-SFHVURJKSA-N 2 1 327.488 2.603 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@H+](C)CCC)C1 ZINC001699672994 1417446361 /nfs/dbraw/zinc/44/63/61/1417446361.db2.gz IETCJOMIFDXTGQ-RBUKOAKNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001699672994 1417446362 /nfs/dbraw/zinc/44/63/62/1417446362.db2.gz IETCJOMIFDXTGQ-RBUKOAKNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001699672994 1417446363 /nfs/dbraw/zinc/44/63/63/1417446363.db2.gz IETCJOMIFDXTGQ-RBUKOAKNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001699864802 1417484231 /nfs/dbraw/zinc/48/42/31/1417484231.db2.gz FCDLSYZDOQPFNG-SFHVURJKSA-N 2 1 335.536 2.903 10 30 EFEEMP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001699879767 1417494661 /nfs/dbraw/zinc/49/46/61/1417494661.db2.gz XPTKFRKVXMTEOJ-CTNGQTDRSA-N 2 1 341.499 2.531 10 30 EFEEMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001699879767 1417494663 /nfs/dbraw/zinc/49/46/63/1417494663.db2.gz XPTKFRKVXMTEOJ-CTNGQTDRSA-N 2 1 341.499 2.531 10 30 EFEEMP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001699879769 1417494963 /nfs/dbraw/zinc/49/49/63/1417494963.db2.gz XPTKFRKVXMTEOJ-PZJWPPBQSA-N 2 1 341.499 2.531 10 30 EFEEMP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001699879769 1417494965 /nfs/dbraw/zinc/49/49/65/1417494965.db2.gz XPTKFRKVXMTEOJ-PZJWPPBQSA-N 2 1 341.499 2.531 10 30 EFEEMP C=C(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001699944106 1417517204 /nfs/dbraw/zinc/51/72/04/1417517204.db2.gz KNSAYEUCEMJESP-UYAOXDASSA-N 2 1 343.515 2.564 10 30 EFEEMP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001699980027 1417535364 /nfs/dbraw/zinc/53/53/64/1417535364.db2.gz UKARDQJVZXZLMK-IYARVYRRSA-N 2 1 344.503 2.542 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)C[C@H](C)n3ccnc3)C[C@H]2C1 ZINC001699991553 1417538888 /nfs/dbraw/zinc/53/88/88/1417538888.db2.gz PIQIHADNVFTITA-XLAORIBOSA-N 2 1 330.476 2.579 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC001699991152 1417538971 /nfs/dbraw/zinc/53/89/71/1417538971.db2.gz BDDGLRIFCAOEOA-WCIQWLHISA-N 2 1 347.547 2.996 10 30 EFEEMP C=CC[N@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CCCCC3)CCC[C@H]12 ZINC001700863992 1417666102 /nfs/dbraw/zinc/66/61/02/1417666102.db2.gz CLIQXYDLGVZGSZ-FXAWDEMLSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+](C)Cc3ccccc3)C[C@H]21 ZINC001700873470 1417669525 /nfs/dbraw/zinc/66/95/25/1417669525.db2.gz MOEUNXVZIGYVSW-VAMGGRTRSA-N 2 1 341.499 2.521 10 30 EFEEMP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)Cc3ccccc3)C[C@H]21 ZINC001700873470 1417669527 /nfs/dbraw/zinc/66/95/27/1417669527.db2.gz MOEUNXVZIGYVSW-VAMGGRTRSA-N 2 1 341.499 2.521 10 30 EFEEMP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+](C)Cc3ccccc3)C[C@@H]21 ZINC001700873468 1417669578 /nfs/dbraw/zinc/66/95/78/1417669578.db2.gz MOEUNXVZIGYVSW-HSALFYBXSA-N 2 1 341.499 2.521 10 30 EFEEMP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)Cc3ccccc3)C[C@@H]21 ZINC001700873468 1417669581 /nfs/dbraw/zinc/66/95/81/1417669581.db2.gz MOEUNXVZIGYVSW-HSALFYBXSA-N 2 1 341.499 2.521 10 30 EFEEMP C=C(C)CC[NH+]1CCC[C@@H]2[C@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)[C@H]21 ZINC001707189550 1418227452 /nfs/dbraw/zinc/22/74/52/1418227452.db2.gz ULFHWNTVFQTSSW-NEWSRXKRSA-N 2 1 335.536 2.898 10 30 EFEEMP C=C(C)CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)[C@H]21 ZINC001707189550 1418227458 /nfs/dbraw/zinc/22/74/58/1418227458.db2.gz ULFHWNTVFQTSSW-NEWSRXKRSA-N 2 1 335.536 2.898 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)[C@H]21 ZINC001707189550 1418227463 /nfs/dbraw/zinc/22/74/63/1418227463.db2.gz ULFHWNTVFQTSSW-NEWSRXKRSA-N 2 1 335.536 2.898 10 30 EFEEMP C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001707272189 1418232167 /nfs/dbraw/zinc/23/21/67/1418232167.db2.gz XXCPAUHOWIGYNE-KRWDZBQOSA-N 2 1 326.444 2.755 10 30 EFEEMP C=CC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001713184419 1418364306 /nfs/dbraw/zinc/36/43/06/1418364306.db2.gz HZKFLCNOIKWSEH-PMACEKPBSA-N 2 1 341.499 2.617 10 30 EFEEMP C=CC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001713184419 1418364312 /nfs/dbraw/zinc/36/43/12/1418364312.db2.gz HZKFLCNOIKWSEH-PMACEKPBSA-N 2 1 341.499 2.617 10 30 EFEEMP C=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001713184419 1418364315 /nfs/dbraw/zinc/36/43/15/1418364315.db2.gz HZKFLCNOIKWSEH-PMACEKPBSA-N 2 1 341.499 2.617 10 30 EFEEMP C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001713184419 1418364321 /nfs/dbraw/zinc/36/43/21/1418364321.db2.gz HZKFLCNOIKWSEH-PMACEKPBSA-N 2 1 341.499 2.617 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001713269476 1418436199 /nfs/dbraw/zinc/43/61/99/1418436199.db2.gz DRUUQOMTNWQTNE-ROUUACIJSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001713269474 1418436562 /nfs/dbraw/zinc/43/65/62/1418436562.db2.gz DRUUQOMTNWQTNE-MSOLQXFVSA-N 2 1 333.520 2.750 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](CCCC=C)C2)CC1 ZINC001713278687 1418447763 /nfs/dbraw/zinc/44/77/63/1418447763.db2.gz HDJPCKKXFQUUFZ-ICSRJNTNSA-N 2 1 345.531 2.515 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001713282950 1418451793 /nfs/dbraw/zinc/45/17/93/1418451793.db2.gz QFJYWFQWVSIWCF-QQXKLLMISA-N 2 1 333.520 2.652 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001713283893 1418453163 /nfs/dbraw/zinc/45/31/63/1418453163.db2.gz VZBAHYSWHHWCNX-SLHNCBLASA-N 2 1 347.547 2.898 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001713283891 1418453239 /nfs/dbraw/zinc/45/32/39/1418453239.db2.gz VZBAHYSWHHWCNX-CENDIDJXSA-N 2 1 347.547 2.898 10 30 EFEEMP C=CCC[NH2+]C1CCC(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001713290191 1418456483 /nfs/dbraw/zinc/45/64/83/1418456483.db2.gz DAVYQACKYLZKRE-RJYAGPCLSA-N 2 1 339.499 2.792 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001713514551 1418555324 /nfs/dbraw/zinc/55/53/24/1418555324.db2.gz CUUGXTLFQBQGJJ-DLBZAZTESA-N 2 1 332.492 2.942 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001713514551 1418555327 /nfs/dbraw/zinc/55/53/27/1418555327.db2.gz CUUGXTLFQBQGJJ-DLBZAZTESA-N 2 1 332.492 2.942 10 30 EFEEMP C#CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001715175664 1418656343 /nfs/dbraw/zinc/65/63/43/1418656343.db2.gz MIRDIFIUFOEPIS-FQEVSTJZSA-N 2 1 345.531 2.635 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@@H]21 ZINC001715543907 1418678025 /nfs/dbraw/zinc/67/80/25/1418678025.db2.gz BNUMGDGFQSMAGH-MOPGFXCFSA-N 2 1 333.520 2.751 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001715935211 1418697292 /nfs/dbraw/zinc/69/72/92/1418697292.db2.gz UPXPPZSQWYOAOX-RKVPGOIHSA-N 2 1 347.890 2.593 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001715935211 1418697296 /nfs/dbraw/zinc/69/72/96/1418697296.db2.gz UPXPPZSQWYOAOX-RKVPGOIHSA-N 2 1 347.890 2.593 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)C1 ZINC001716705518 1418964014 /nfs/dbraw/zinc/96/40/14/1418964014.db2.gz BEWDTGQJIRRUAD-OALUTQOASA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001716705518 1418964018 /nfs/dbraw/zinc/96/40/18/1418964018.db2.gz BEWDTGQJIRRUAD-OALUTQOASA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001716705518 1418964022 /nfs/dbraw/zinc/96/40/22/1418964022.db2.gz BEWDTGQJIRRUAD-OALUTQOASA-N 2 1 335.536 2.996 10 30 EFEEMP CC#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001716706535 1418965580 /nfs/dbraw/zinc/96/55/80/1418965580.db2.gz QUMOAPIKABLVGG-OALUTQOASA-N 2 1 347.547 2.691 10 30 EFEEMP C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001716715260 1418970448 /nfs/dbraw/zinc/97/04/48/1418970448.db2.gz QSIYEBNTQUBKDJ-SFHVURJKSA-N 2 1 333.520 2.607 10 30 EFEEMP C=C(C)C[NH+](CC1CC1)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001716715260 1418970445 /nfs/dbraw/zinc/97/04/45/1418970445.db2.gz QSIYEBNTQUBKDJ-SFHVURJKSA-N 2 1 333.520 2.607 10 30 EFEEMP C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001716715260 1418970450 /nfs/dbraw/zinc/97/04/50/1418970450.db2.gz QSIYEBNTQUBKDJ-SFHVURJKSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCC[N@@H+](CC1CC1)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001716715194 1418970496 /nfs/dbraw/zinc/97/04/96/1418970496.db2.gz OXHPPKDZVNTQQA-UHFFFAOYSA-N 2 1 333.520 2.751 10 30 EFEEMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](CCCC(C)C)CC1 ZINC001716806214 1419021227 /nfs/dbraw/zinc/02/12/27/1419021227.db2.gz QQIPFUZIKLHQED-UYAOXDASSA-N 2 1 347.547 2.689 10 30 EFEEMP C#CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001716811043 1419024022 /nfs/dbraw/zinc/02/40/22/1419024022.db2.gz LPARMYIOZWPQSB-SFHVURJKSA-N 2 1 347.547 2.691 10 30 EFEEMP C#CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CC(CC)CC)CC1 ZINC001716811255 1419024906 /nfs/dbraw/zinc/02/49/06/1419024906.db2.gz SUSLBOSBKNHLJV-LJQANCHMSA-N 2 1 347.547 2.691 10 30 EFEEMP C#CC[NH2+]C[C@H](NC(=O)C[N@H+](C)C1CCC1)c1ccc2ccccc2c1 ZINC001716812151 1419025494 /nfs/dbraw/zinc/02/54/94/1419025494.db2.gz BIDQSTGNODFLJG-NRFANRHFSA-N 2 1 349.478 2.704 10 30 EFEEMP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CCCC1 ZINC001716818052 1419029100 /nfs/dbraw/zinc/02/91/00/1419029100.db2.gz VUAONPFJGZWYNU-PMACEKPBSA-N 2 1 345.531 2.681 10 30 EFEEMP C=CCCC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001716894479 1419080801 /nfs/dbraw/zinc/08/08/01/1419080801.db2.gz QSCVLZRNAYHQLG-NLWGTHIKSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001716894479 1419080805 /nfs/dbraw/zinc/08/08/05/1419080805.db2.gz QSCVLZRNAYHQLG-NLWGTHIKSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001716894479 1419080807 /nfs/dbraw/zinc/08/08/07/1419080807.db2.gz QSCVLZRNAYHQLG-NLWGTHIKSA-N 2 1 335.536 2.901 10 30 EFEEMP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001716900708 1419086515 /nfs/dbraw/zinc/08/65/15/1419086515.db2.gz SHWMGBDFMVAEJU-OAQYLSRUSA-N 2 1 341.499 2.603 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NC[C@]2(C)CCC[N@H+](C[C@H](C)CC)C2)CC1 ZINC001716903144 1419088495 /nfs/dbraw/zinc/08/84/95/1419088495.db2.gz XXWRYAZLFPCFKD-NQIIRXRSSA-N 2 1 347.547 2.596 10 30 EFEEMP C=CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001716903159 1419088637 /nfs/dbraw/zinc/08/86/37/1419088637.db2.gz YHVAXHWACDPVJB-UYAOXDASSA-N 2 1 329.488 2.694 10 30 EFEEMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001716903159 1419088640 /nfs/dbraw/zinc/08/86/40/1419088640.db2.gz YHVAXHWACDPVJB-UYAOXDASSA-N 2 1 329.488 2.694 10 30 EFEEMP CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001717010369 1419145919 /nfs/dbraw/zinc/14/59/19/1419145919.db2.gz AINSZZGKWNLAPY-HDICACEKSA-N 2 1 335.536 2.831 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001717009953 1419146206 /nfs/dbraw/zinc/14/62/06/1419146206.db2.gz MQSMPOYGBDURAM-AKHDSKFASA-N 2 1 333.520 2.604 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001717009953 1419146209 /nfs/dbraw/zinc/14/62/09/1419146209.db2.gz MQSMPOYGBDURAM-AKHDSKFASA-N 2 1 333.520 2.604 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001717009953 1419146212 /nfs/dbraw/zinc/14/62/12/1419146212.db2.gz MQSMPOYGBDURAM-AKHDSKFASA-N 2 1 333.520 2.604 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001717034115 1419166406 /nfs/dbraw/zinc/16/64/06/1419166406.db2.gz ZLMUTLOMXBLQAX-GUDVDZBRSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001717034115 1419166408 /nfs/dbraw/zinc/16/64/08/1419166408.db2.gz ZLMUTLOMXBLQAX-GUDVDZBRSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001717034115 1419166411 /nfs/dbraw/zinc/16/64/11/1419166411.db2.gz ZLMUTLOMXBLQAX-GUDVDZBRSA-N 2 1 333.520 2.892 10 30 EFEEMP C#CCC[N@H+](C)Cc1ccccc1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001717112897 1419217008 /nfs/dbraw/zinc/21/70/08/1419217008.db2.gz DBGVLUNWHZIGOV-UHFFFAOYSA-N 2 1 343.515 2.736 10 30 EFEEMP C#CCC[NH+](C)Cc1ccccc1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001717112897 1419217010 /nfs/dbraw/zinc/21/70/10/1419217010.db2.gz DBGVLUNWHZIGOV-UHFFFAOYSA-N 2 1 343.515 2.736 10 30 EFEEMP C#CCC[NH+](C)Cc1ccccc1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001717112897 1419217012 /nfs/dbraw/zinc/21/70/12/1419217012.db2.gz DBGVLUNWHZIGOV-UHFFFAOYSA-N 2 1 343.515 2.736 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC2=CCCCC2)CCC1 ZINC001717153719 1419240299 /nfs/dbraw/zinc/24/02/99/1419240299.db2.gz ZDJSWTBGCSQBSU-IBGZPJMESA-N 2 1 343.515 2.603 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC2=CCCCC2)CCC1 ZINC001717153719 1419240301 /nfs/dbraw/zinc/24/03/01/1419240301.db2.gz ZDJSWTBGCSQBSU-IBGZPJMESA-N 2 1 343.515 2.603 10 30 EFEEMP C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCC=C)CC1 ZINC001717215546 1419269417 /nfs/dbraw/zinc/26/94/17/1419269417.db2.gz NLMXNZINMLPBEE-KDURUIRLSA-N 2 1 331.504 2.668 10 30 EFEEMP C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCC=C)CC1 ZINC001717215546 1419269420 /nfs/dbraw/zinc/26/94/20/1419269420.db2.gz NLMXNZINMLPBEE-KDURUIRLSA-N 2 1 331.504 2.668 10 30 EFEEMP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCCn3ccnc3)C2)C1 ZINC001717217543 1419270914 /nfs/dbraw/zinc/27/09/14/1419270914.db2.gz SGZPARBUQKIQQC-RTBURBONSA-N 2 1 344.503 2.800 10 30 EFEEMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001717247914 1419291033 /nfs/dbraw/zinc/29/10/33/1419291033.db2.gz RBRQSNVJQMBIIH-ICSRJNTNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001717247913 1419291443 /nfs/dbraw/zinc/29/14/43/1419291443.db2.gz RBRQSNVJQMBIIH-AZUAARDMSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3C)cc2C1 ZINC001717269186 1419298390 /nfs/dbraw/zinc/29/83/90/1419298390.db2.gz DDYLQWFCVYMDKF-IBGZPJMESA-N 2 1 327.472 2.679 10 30 EFEEMP C=CCCC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3C)cc2C1 ZINC001717269186 1419298395 /nfs/dbraw/zinc/29/83/95/1419298395.db2.gz DDYLQWFCVYMDKF-IBGZPJMESA-N 2 1 327.472 2.679 10 30 EFEEMP C=CCCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3C)cc2C1 ZINC001717269186 1419298400 /nfs/dbraw/zinc/29/84/00/1419298400.db2.gz DDYLQWFCVYMDKF-IBGZPJMESA-N 2 1 327.472 2.679 10 30 EFEEMP C=CCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001717300651 1419315010 /nfs/dbraw/zinc/31/50/10/1419315010.db2.gz NSHCAOYPDJIYDR-QGZVFWFLSA-N 2 1 344.503 2.691 10 30 EFEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C(C)(C)C1 ZINC001717309508 1419321520 /nfs/dbraw/zinc/32/15/20/1419321520.db2.gz NWSUIFIDPIMSRV-GOSISDBHSA-N 2 1 347.547 2.739 10 30 EFEEMP C=CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001717356612 1419351119 /nfs/dbraw/zinc/35/11/19/1419351119.db2.gz FRCUMPKWLWRBEM-IBGZPJMESA-N 2 1 335.536 2.996 10 30 EFEEMP C=CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001717356612 1419351124 /nfs/dbraw/zinc/35/11/24/1419351124.db2.gz FRCUMPKWLWRBEM-IBGZPJMESA-N 2 1 335.536 2.996 10 30 EFEEMP C=CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001717356612 1419351129 /nfs/dbraw/zinc/35/11/29/1419351129.db2.gz FRCUMPKWLWRBEM-IBGZPJMESA-N 2 1 335.536 2.996 10 30 EFEEMP C=CC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001717356613 1419351219 /nfs/dbraw/zinc/35/12/19/1419351219.db2.gz FRCUMPKWLWRBEM-LJQANCHMSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001717356613 1419351222 /nfs/dbraw/zinc/35/12/22/1419351222.db2.gz FRCUMPKWLWRBEM-LJQANCHMSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001717356613 1419351224 /nfs/dbraw/zinc/35/12/24/1419351224.db2.gz FRCUMPKWLWRBEM-LJQANCHMSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001717377240 1419369539 /nfs/dbraw/zinc/36/95/39/1419369539.db2.gz AQXXKXJKZZGKFZ-RBUKOAKNSA-N 2 1 345.531 2.609 10 30 EFEEMP CCC[N@@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001717435750 1419393660 /nfs/dbraw/zinc/39/36/60/1419393660.db2.gz VCBSHYQNFWDOGW-JKSUJKDBSA-N 2 1 349.906 2.516 10 30 EFEEMP C=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001717456847 1419401974 /nfs/dbraw/zinc/40/19/74/1419401974.db2.gz MXJFLYPNVMEKJN-MOPGFXCFSA-N 2 1 343.515 2.592 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[C@@H]([NH2+]CC=C(C)C)C(C)C ZINC001717514127 1419422618 /nfs/dbraw/zinc/42/26/18/1419422618.db2.gz JOYKTNQFMMZWDQ-MOPGFXCFSA-N 2 1 333.520 2.513 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[C@@H]([NH2+]CC=C(C)C)C(C)C ZINC001717514127 1419422620 /nfs/dbraw/zinc/42/26/20/1419422620.db2.gz JOYKTNQFMMZWDQ-MOPGFXCFSA-N 2 1 333.520 2.513 10 30 EFEEMP CC#CC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CCCCC1 ZINC001717525347 1419427596 /nfs/dbraw/zinc/42/75/96/1419427596.db2.gz NBNANHFOQWGNOK-GOSISDBHSA-N 2 1 333.520 2.540 10 30 EFEEMP C#CCN1CCC[C@H]1C(=O)N1CCC([N@H+](C)C[C@@H](C)CC(C)C)CC1 ZINC001717701952 1419515487 /nfs/dbraw/zinc/51/54/87/1419515487.db2.gz OZFDRPYZTGORJV-ICSRJNTNSA-N 2 1 347.547 2.689 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)C[C@@H](C)CC(C)C)CC1 ZINC001717701952 1419515490 /nfs/dbraw/zinc/51/54/90/1419515490.db2.gz OZFDRPYZTGORJV-ICSRJNTNSA-N 2 1 347.547 2.689 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)C[C@@H](C)CC(C)C)CC1 ZINC001717701952 1419515491 /nfs/dbraw/zinc/51/54/91/1419515491.db2.gz OZFDRPYZTGORJV-ICSRJNTNSA-N 2 1 347.547 2.689 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)C[C@@H](C)CC(C)C)CC1 ZINC001717701952 1419515494 /nfs/dbraw/zinc/51/54/94/1419515494.db2.gz OZFDRPYZTGORJV-ICSRJNTNSA-N 2 1 347.547 2.689 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)C[C@@H](C)CC(C)C)CC1 ZINC001717701952 1419515496 /nfs/dbraw/zinc/51/54/96/1419515496.db2.gz OZFDRPYZTGORJV-ICSRJNTNSA-N 2 1 347.547 2.689 10 30 EFEEMP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001717734391 1419530330 /nfs/dbraw/zinc/53/03/30/1419530330.db2.gz CRKUSINXNVOOPM-PMACEKPBSA-N 2 1 345.531 2.633 10 30 EFEEMP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001717734392 1419530368 /nfs/dbraw/zinc/53/03/68/1419530368.db2.gz CRKUSINXNVOOPM-UXHICEINSA-N 2 1 345.531 2.633 10 30 EFEEMP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(C)(C)C ZINC001717958792 1419629386 /nfs/dbraw/zinc/62/93/86/1419629386.db2.gz ILYCAUBPRSJUHX-MJGOQNOKSA-N 2 1 347.547 2.785 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(CC)CC)C(C)(C)C ZINC001717959265 1419629979 /nfs/dbraw/zinc/62/99/79/1419629979.db2.gz BYUUAXXRGWBCEO-ZWKOTPCHSA-N 2 1 335.536 2.641 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(CC)CC)C(C)(C)C ZINC001717959265 1419629981 /nfs/dbraw/zinc/62/99/81/1419629981.db2.gz BYUUAXXRGWBCEO-ZWKOTPCHSA-N 2 1 335.536 2.641 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1C(F)(F)F ZINC001717987253 1419644183 /nfs/dbraw/zinc/64/41/83/1419644183.db2.gz RRJFUGBKDWYSQG-CABCVRRESA-N 2 1 349.441 2.662 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1C(F)(F)F ZINC001717987256 1419644388 /nfs/dbraw/zinc/64/43/88/1419644388.db2.gz RRJFUGBKDWYSQG-LSDHHAIUSA-N 2 1 349.441 2.662 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001718029318 1419668262 /nfs/dbraw/zinc/66/82/62/1419668262.db2.gz UWEDZEPFGIAZMC-QGZVFWFLSA-N 2 1 333.520 2.821 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001718033882 1419672286 /nfs/dbraw/zinc/67/22/86/1419672286.db2.gz YXENGDYIYZXTAL-GOSISDBHSA-N 2 1 333.520 2.965 10 30 EFEEMP C#CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CCCCCC1 ZINC001723640304 1424543335 /nfs/dbraw/zinc/54/33/35/1424543335.db2.gz MEXWSIYTKANYOU-FQEVSTJZSA-N 2 1 347.547 2.881 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CCCCC)CC2 ZINC001723698879 1424560521 /nfs/dbraw/zinc/56/05/21/1424560521.db2.gz XJDSAAYOKCTUGI-IBGZPJMESA-N 2 1 345.531 2.589 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CCCCC)CC2 ZINC001723698879 1424560524 /nfs/dbraw/zinc/56/05/24/1424560524.db2.gz XJDSAAYOKCTUGI-IBGZPJMESA-N 2 1 345.531 2.589 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001723727270 1424571394 /nfs/dbraw/zinc/57/13/94/1424571394.db2.gz QPMHOSZICFGBFZ-AZUAARDMSA-N 2 1 335.536 2.997 10 30 EFEEMP C#CCN(C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C1CC[NH+](CC(C)C)CC1 ZINC001724047003 1424635120 /nfs/dbraw/zinc/63/51/20/1424635120.db2.gz IWRZGQIBMDEUIK-UYAOXDASSA-N 2 1 345.531 2.586 10 30 EFEEMP C#CC[NH2+]C[C@H](NC(=O)C[N@H+](C)C(C)C)c1ccc2ccccc2c1 ZINC001724071447 1424645527 /nfs/dbraw/zinc/64/55/27/1424645527.db2.gz MCJLSOCOKKWGII-FQEVSTJZSA-N 2 1 337.467 2.560 10 30 EFEEMP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C1CCCC1 ZINC001724094270 1424653518 /nfs/dbraw/zinc/65/35/18/1424653518.db2.gz HITWNZIGBLOPGQ-VQTJNVASSA-N 2 1 345.531 2.681 10 30 EFEEMP CC#CC[NH2+]C[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C1CCCC1 ZINC001724097291 1424655770 /nfs/dbraw/zinc/65/57/70/1424655770.db2.gz IYOXXLLXZYQWCX-HXUWFJFHSA-N 2 1 347.547 2.929 10 30 EFEEMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001724125272 1424667151 /nfs/dbraw/zinc/66/71/51/1424667151.db2.gz CDLWVYMXYCDAMO-MJGOQNOKSA-N 2 1 339.499 2.557 10 30 EFEEMP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001724239912 1424711279 /nfs/dbraw/zinc/71/12/79/1424711279.db2.gz OLTNAPKOAYDWSL-PXNSSMCTSA-N 2 1 344.503 2.548 10 30 EFEEMP C=CCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001724332269 1424739164 /nfs/dbraw/zinc/73/91/64/1424739164.db2.gz ZWLZIIIHPFMKFI-UYAOXDASSA-N 2 1 335.536 2.903 10 30 EFEEMP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001724332269 1424739170 /nfs/dbraw/zinc/73/91/70/1424739170.db2.gz ZWLZIIIHPFMKFI-UYAOXDASSA-N 2 1 335.536 2.903 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001724332269 1424739174 /nfs/dbraw/zinc/73/91/74/1424739174.db2.gz ZWLZIIIHPFMKFI-UYAOXDASSA-N 2 1 335.536 2.903 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCC)c1ccccc1CC ZINC001724513091 1424777102 /nfs/dbraw/zinc/77/71/02/1424777102.db2.gz YPJGKWRBLVQFMM-UXHICEINSA-N 2 1 341.499 2.504 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCC)c1ccccc1CC ZINC001724513091 1424777107 /nfs/dbraw/zinc/77/71/07/1424777107.db2.gz YPJGKWRBLVQFMM-UXHICEINSA-N 2 1 341.499 2.504 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCC)c1ccccc1CC ZINC001724513090 1424777280 /nfs/dbraw/zinc/77/72/80/1424777280.db2.gz YPJGKWRBLVQFMM-PMACEKPBSA-N 2 1 341.499 2.504 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCC)c1ccccc1CC ZINC001724513090 1424777284 /nfs/dbraw/zinc/77/72/84/1424777284.db2.gz YPJGKWRBLVQFMM-PMACEKPBSA-N 2 1 341.499 2.504 10 30 EFEEMP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001724613338 1424833772 /nfs/dbraw/zinc/83/37/72/1424833772.db2.gz UNUVWAVRHLMFSK-GUDVDZBRSA-N 2 1 335.536 2.807 10 30 EFEEMP C=C(Cl)C[NH2+]CCN(Cc1ccccc1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001724615334 1424836700 /nfs/dbraw/zinc/83/67/00/1424836700.db2.gz FSQBKJZAVYAXFU-GOSISDBHSA-N 2 1 349.906 2.699 10 30 EFEEMP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@H]2C1 ZINC001724628938 1424854207 /nfs/dbraw/zinc/85/42/07/1424854207.db2.gz VBOZQPVQMFXXRM-KDURUIRLSA-N 2 1 333.520 2.609 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001724656053 1424891391 /nfs/dbraw/zinc/89/13/91/1424891391.db2.gz QPUWPKAWOBBNKX-MOPGFXCFSA-N 2 1 345.531 2.894 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001724656061 1424892342 /nfs/dbraw/zinc/89/23/42/1424892342.db2.gz QPUWPKAWOBBNKX-RTBURBONSA-N 2 1 345.531 2.894 10 30 EFEEMP C#CC[NH2+]C1(CC)CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001724889171 1425102874 /nfs/dbraw/zinc/10/28/74/1425102874.db2.gz RPHCTOGBZXFDSC-UHFFFAOYSA-N 2 1 333.520 2.635 10 30 EFEEMP C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001724894840 1425111295 /nfs/dbraw/zinc/11/12/95/1425111295.db2.gz GFIGLQVBIANMMH-HXUWFJFHSA-N 2 1 341.499 2.592 10 30 EFEEMP C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001724894840 1425111301 /nfs/dbraw/zinc/11/13/01/1425111301.db2.gz GFIGLQVBIANMMH-HXUWFJFHSA-N 2 1 341.499 2.592 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001724897145 1425114599 /nfs/dbraw/zinc/11/45/99/1425114599.db2.gz HMUMBQRZBXBRRC-SFHVURJKSA-N 2 1 341.927 2.785 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+](C)C(C)C)C2 ZINC001724900812 1425120252 /nfs/dbraw/zinc/12/02/52/1425120252.db2.gz RMGWTYCZVMDBJJ-UYAOXDASSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001724900812 1425120261 /nfs/dbraw/zinc/12/02/61/1425120261.db2.gz RMGWTYCZVMDBJJ-UYAOXDASSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001724900812 1425120265 /nfs/dbraw/zinc/12/02/65/1425120265.db2.gz RMGWTYCZVMDBJJ-UYAOXDASSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001725011174 1425223242 /nfs/dbraw/zinc/22/32/42/1425223242.db2.gz BUJNVVZLMRNWLA-IBGZPJMESA-N 2 1 329.488 2.620 10 30 EFEEMP C=CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001725013103 1425227901 /nfs/dbraw/zinc/22/79/01/1425227901.db2.gz MMZWUJGBZBTGTJ-LJQANCHMSA-N 2 1 341.499 2.762 10 30 EFEEMP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001725026061 1425236248 /nfs/dbraw/zinc/23/62/48/1425236248.db2.gz OSDMMSWZOFCKLF-UHFFFAOYSA-N 2 1 335.536 2.999 10 30 EFEEMP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001725039172 1425251059 /nfs/dbraw/zinc/25/10/59/1425251059.db2.gz CBZBXMVHIPKCNR-QGZVFWFLSA-N 2 1 326.444 2.755 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001725055709 1425266311 /nfs/dbraw/zinc/26/63/11/1425266311.db2.gz BZXYXMIWBIBZNY-RTBURBONSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001725056336 1425267943 /nfs/dbraw/zinc/26/79/43/1425267943.db2.gz TWNLCPNPYVJNBO-UXHICEINSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001725059003 1425270993 /nfs/dbraw/zinc/27/09/93/1425270993.db2.gz NEAZZRVBCOHGAZ-RTBURBONSA-N 2 1 347.547 2.855 10 30 EFEEMP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001725137039 1425326656 /nfs/dbraw/zinc/32/66/56/1425326656.db2.gz NGBYTDUPWFBBHA-QLOJAFMTSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCC[C@H](C)[NH2+]C1CCC(N(C)C(=O)Cn2cc[nH+]c2C)CC1 ZINC001725137580 1425327550 /nfs/dbraw/zinc/32/75/50/1425327550.db2.gz UBGLCLDKDMSNJZ-ZLPCBKJTSA-N 2 1 332.492 2.905 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001725175711 1425355983 /nfs/dbraw/zinc/35/59/83/1425355983.db2.gz NISBWLXEFMRRQI-HZPDHXFCSA-N 2 1 341.459 2.672 10 30 EFEEMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001725241650 1425407398 /nfs/dbraw/zinc/40/73/98/1425407398.db2.gz MSCLWMVFBJKXAC-RBUKOAKNSA-N 2 1 333.520 2.635 10 30 EFEEMP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001725251204 1425415629 /nfs/dbraw/zinc/41/56/29/1425415629.db2.gz BGYQAYIMPFWGEK-APWZRJJASA-N 2 1 333.520 2.796 10 30 EFEEMP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001725251207 1425415866 /nfs/dbraw/zinc/41/58/66/1425415866.db2.gz BGYQAYIMPFWGEK-VQIMIIECSA-N 2 1 333.520 2.796 10 30 EFEEMP C=CCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001725287817 1425440975 /nfs/dbraw/zinc/44/09/75/1425440975.db2.gz VOLNOTXSPVJZDL-HZPDHXFCSA-N 2 1 332.492 2.799 10 30 EFEEMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001725287817 1425440979 /nfs/dbraw/zinc/44/09/79/1425440979.db2.gz VOLNOTXSPVJZDL-HZPDHXFCSA-N 2 1 332.492 2.799 10 30 EFEEMP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCCC[NH+]3CCCC3)C[C@H]2C1 ZINC001725336660 1425481175 /nfs/dbraw/zinc/48/11/75/1425481175.db2.gz VNVPZBTUMGOTSD-FHWLQOOXSA-N 2 1 333.520 2.655 10 30 EFEEMP C=CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)Cc3ccccc3)C[C@@H]2C1 ZINC001725336750 1425482665 /nfs/dbraw/zinc/48/26/65/1425482665.db2.gz VYEMEXLOYSWLDP-ZCNNSNEGSA-N 2 1 341.499 2.521 10 30 EFEEMP C=CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@H+](C)Cc3ccccc3)C[C@@H]2C1 ZINC001725336750 1425482668 /nfs/dbraw/zinc/48/26/68/1425482668.db2.gz VYEMEXLOYSWLDP-ZCNNSNEGSA-N 2 1 341.499 2.521 10 30 EFEEMP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)Cc3ccccc3)C[C@@H]2C1 ZINC001725336750 1425482673 /nfs/dbraw/zinc/48/26/73/1425482673.db2.gz VYEMEXLOYSWLDP-ZCNNSNEGSA-N 2 1 341.499 2.521 10 30 EFEEMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)Cc3ccccc3)C[C@@H]2C1 ZINC001725336750 1425482677 /nfs/dbraw/zinc/48/26/77/1425482677.db2.gz VYEMEXLOYSWLDP-ZCNNSNEGSA-N 2 1 341.499 2.521 10 30 EFEEMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@@]2(C)C1 ZINC001725347090 1425495893 /nfs/dbraw/zinc/49/58/93/1425495893.db2.gz LNDCFCHQZTXXDR-YSIASYRMSA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001725352148 1425499996 /nfs/dbraw/zinc/49/99/96/1425499996.db2.gz GDIZHWGLBXHHQN-BZSNNMDCSA-N 2 1 333.520 2.702 10 30 EFEEMP C=CCC[N@H+](C)C1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001725424244 1425570116 /nfs/dbraw/zinc/57/01/16/1425570116.db2.gz DMGWUNVCZQHUNT-UHFFFAOYSA-N 2 1 343.515 2.903 10 30 EFEEMP C#CCC[NH+](C)C1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001725426726 1425572225 /nfs/dbraw/zinc/57/22/25/1425572225.db2.gz YRIQOQKOHYHNBD-FQEVSTJZSA-N 2 1 341.499 2.626 10 30 EFEEMP C#CCC[N@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001725426435 1425573016 /nfs/dbraw/zinc/57/30/16/1425573016.db2.gz ZILFQISJRSBPNX-HXUWFJFHSA-N 2 1 345.531 2.730 10 30 EFEEMP C#CCC[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001725426435 1425573019 /nfs/dbraw/zinc/57/30/19/1425573019.db2.gz ZILFQISJRSBPNX-HXUWFJFHSA-N 2 1 345.531 2.730 10 30 EFEEMP C#CCC[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001725426435 1425573025 /nfs/dbraw/zinc/57/30/25/1425573025.db2.gz ZILFQISJRSBPNX-HXUWFJFHSA-N 2 1 345.531 2.730 10 30 EFEEMP C=CC[NH2+]CCCN(Cc1ccccc1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001725428124 1425574784 /nfs/dbraw/zinc/57/47/84/1425574784.db2.gz RXFKYAVQQIEVOK-ICSRJNTNSA-N 2 1 343.515 2.911 10 30 EFEEMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1C ZINC001725626218 1425723069 /nfs/dbraw/zinc/72/30/69/1425723069.db2.gz KVXDDIBGBKTXBM-SJLPKXTDSA-N 2 1 333.520 2.632 10 30 EFEEMP CC#CC[NH+]1CCC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H]1C ZINC001725626218 1425723071 /nfs/dbraw/zinc/72/30/71/1425723071.db2.gz KVXDDIBGBKTXBM-SJLPKXTDSA-N 2 1 333.520 2.632 10 30 EFEEMP CC#CC[NH+]1CCC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H]1C ZINC001725626218 1425723074 /nfs/dbraw/zinc/72/30/74/1425723074.db2.gz KVXDDIBGBKTXBM-SJLPKXTDSA-N 2 1 333.520 2.632 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC001725634281 1425734436 /nfs/dbraw/zinc/73/44/36/1425734436.db2.gz SFKYXBNXSIUOCK-ROUUACIJSA-N 2 1 333.520 2.798 10 30 EFEEMP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C(C)(C)C ZINC001725739878 1425808187 /nfs/dbraw/zinc/80/81/87/1425808187.db2.gz NGNVTIWXURWAOW-QZTJIDSGSA-N 2 1 333.520 2.537 10 30 EFEEMP C=C(C)C[NH2+]C[C@@H](NC(=O)C[N@@H+](C)Cc1ccccc1)C(C)(C)C ZINC001725755166 1425821169 /nfs/dbraw/zinc/82/11/69/1425821169.db2.gz FOUDWGRQQCWKJL-GOSISDBHSA-N 2 1 331.504 2.815 10 30 EFEEMP C=C(C)C[NH2+]C[C@@H](NC(=O)C[N@H+](C)Cc1ccccc1)C(C)(C)C ZINC001725755166 1425821175 /nfs/dbraw/zinc/82/11/75/1425821175.db2.gz FOUDWGRQQCWKJL-GOSISDBHSA-N 2 1 331.504 2.815 10 30 EFEEMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@H]1C(F)(F)F ZINC001725784192 1425849627 /nfs/dbraw/zinc/84/96/27/1425849627.db2.gz XHDIVCBOOIPBBB-HUUCEWRRSA-N 2 1 349.441 2.663 10 30 EFEEMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001725827639 1425892331 /nfs/dbraw/zinc/89/23/31/1425892331.db2.gz ULQBSACSFIDWQA-GOSISDBHSA-N 2 1 333.520 2.965 10 30 EFEEMP C=CCCC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001725828684 1425894233 /nfs/dbraw/zinc/89/42/33/1425894233.db2.gz ZRZHIEDKQHGCTH-IBGZPJMESA-N 2 1 333.520 2.964 10 30 EFEEMP C=CCCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001725828684 1425894240 /nfs/dbraw/zinc/89/42/40/1425894240.db2.gz ZRZHIEDKQHGCTH-IBGZPJMESA-N 2 1 333.520 2.964 10 30 EFEEMP C=CCCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001725828684 1425894245 /nfs/dbraw/zinc/89/42/45/1425894245.db2.gz ZRZHIEDKQHGCTH-IBGZPJMESA-N 2 1 333.520 2.964 10 30 EFEEMP CCc1cccc(CC)c1NC(=[NH2+])NC[C@@H]1CCC[N@H+]1CCOC ZINC000303987224 724441993 /nfs/dbraw/zinc/44/19/93/724441993.db2.gz VFKNEBCDRMBCBN-KRWDZBQOSA-N 2 1 332.492 2.649 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000907959554 727063364 /nfs/dbraw/zinc/06/33/64/727063364.db2.gz GPEFZVANBSPVIW-HXUWFJFHSA-N 2 1 329.488 2.523 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C(C)(C)C1 ZINC000941236986 727925763 /nfs/dbraw/zinc/92/57/63/727925763.db2.gz FBFFIIMZEFYMRO-HOTGVXAUSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC000941236986 727925764 /nfs/dbraw/zinc/92/57/64/727925764.db2.gz FBFFIIMZEFYMRO-HOTGVXAUSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941236986 727925766 /nfs/dbraw/zinc/92/57/66/727925766.db2.gz FBFFIIMZEFYMRO-HOTGVXAUSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941236986 727925768 /nfs/dbraw/zinc/92/57/68/727925768.db2.gz FBFFIIMZEFYMRO-HOTGVXAUSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940745808 728219860 /nfs/dbraw/zinc/21/98/60/728219860.db2.gz VHPQRTDAIIHCLF-ZWKOTPCHSA-N 2 1 333.520 2.511 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000940788591 728242624 /nfs/dbraw/zinc/24/26/24/728242624.db2.gz BOIMMSUUYNVQHH-HZPDHXFCSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000940788591 728242625 /nfs/dbraw/zinc/24/26/25/728242625.db2.gz BOIMMSUUYNVQHH-HZPDHXFCSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000940788591 728242627 /nfs/dbraw/zinc/24/26/27/728242627.db2.gz BOIMMSUUYNVQHH-HZPDHXFCSA-N 2 1 341.927 2.830 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000940788591 728242628 /nfs/dbraw/zinc/24/26/28/728242628.db2.gz BOIMMSUUYNVQHH-HZPDHXFCSA-N 2 1 341.927 2.830 10 30 EFEEMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000940859147 728297080 /nfs/dbraw/zinc/29/70/80/728297080.db2.gz RYAALPCRDBOGBX-ROUUACIJSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940859147 728297083 /nfs/dbraw/zinc/29/70/83/728297083.db2.gz RYAALPCRDBOGBX-ROUUACIJSA-N 2 1 335.536 2.900 10 30 EFEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940859147 728297085 /nfs/dbraw/zinc/29/70/85/728297085.db2.gz RYAALPCRDBOGBX-ROUUACIJSA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cccc3nccn32)C(C)(C)C1 ZINC000940885376 728301497 /nfs/dbraw/zinc/30/14/97/728301497.db2.gz AOAHGMVGGCWDHU-INIZCTEOSA-N 2 1 326.444 2.741 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000941033587 728376544 /nfs/dbraw/zinc/37/65/44/728376544.db2.gz QCVKMXIYMAGSSQ-FUHWJXTLSA-N 2 1 344.503 2.547 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000941033587 728376546 /nfs/dbraw/zinc/37/65/46/728376546.db2.gz QCVKMXIYMAGSSQ-FUHWJXTLSA-N 2 1 344.503 2.547 10 30 EFEEMP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001569403529 1085183801 /nfs/dbraw/zinc/18/38/01/1085183801.db2.gz PAUYGYZIVDBAPB-AEFFLSMTSA-N 2 1 333.520 2.987 10 30 EFEEMP C=CCCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001569435112 1085207465 /nfs/dbraw/zinc/20/74/65/1085207465.db2.gz ZLDVSQWXWAMHEL-PMACEKPBSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001569435112 1085207478 /nfs/dbraw/zinc/20/74/78/1085207478.db2.gz ZLDVSQWXWAMHEL-PMACEKPBSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001569435112 1085207490 /nfs/dbraw/zinc/20/74/90/1085207490.db2.gz ZLDVSQWXWAMHEL-PMACEKPBSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001569435114 1085208161 /nfs/dbraw/zinc/20/81/61/1085208161.db2.gz 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ZINC001269039012 1097802971 /nfs/dbraw/zinc/80/29/71/1097802971.db2.gz OHTZAMASTCPXSN-ZBFHGGJFSA-N 2 1 326.444 2.802 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001269281684 1098016205 /nfs/dbraw/zinc/01/62/05/1098016205.db2.gz UCHGRPPSDXZXSH-IAGOWNOFSA-N 2 1 332.492 2.894 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001269281684 1098016212 /nfs/dbraw/zinc/01/62/12/1098016212.db2.gz UCHGRPPSDXZXSH-IAGOWNOFSA-N 2 1 332.492 2.894 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H](N(CC)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001269348573 1098077923 /nfs/dbraw/zinc/07/79/23/1098077923.db2.gz LTEMLGJPECRDDO-QGZVFWFLSA-N 2 1 332.492 2.896 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001269348573 1098077928 /nfs/dbraw/zinc/07/79/28/1098077928.db2.gz LTEMLGJPECRDDO-QGZVFWFLSA-N 2 1 332.492 2.896 10 30 EFEEMP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CCCC1 ZINC001482222271 1098161411 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C=CCCCCC[N@@H+]1CC[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)CC[C@H]21 ZINC001272214781 1107890022 /nfs/dbraw/zinc/89/00/22/1107890022.db2.gz CJSMSLWHTKRRDI-RBUKOAKNSA-N 2 1 347.547 2.997 10 30 EFEEMP C=C(C)C[NH+]1CCC([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000905097052 1108427448 /nfs/dbraw/zinc/42/74/48/1108427448.db2.gz NXJOCLMDMQMSDC-GFCCVEGCSA-N 2 1 330.341 2.565 10 30 EFEEMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc3cc[nH]c3c2)CC1 ZINC000905096296 1108427651 /nfs/dbraw/zinc/42/76/51/1108427651.db2.gz LXDFQKYQIAJKKF-GOSISDBHSA-N 2 1 343.471 2.538 10 30 EFEEMP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001272651622 1111879737 /nfs/dbraw/zinc/87/97/37/1111879737.db2.gz GHEFRKMWJMVUJU-SJLPKXTDSA-N 2 1 349.906 2.870 10 30 EFEEMP C=CCCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001483798833 1112461009 /nfs/dbraw/zinc/46/10/09/1112461009.db2.gz HGYDTIXWHAFZOH-YZGWKJHDSA-N 2 1 347.547 2.853 10 30 EFEEMP 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C=CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCCn2cc[nH+]c2C)C1 ZINC001483802975 1112466868 /nfs/dbraw/zinc/46/68/68/1112466868.db2.gz XUZAQWHZGAQZIC-RTBURBONSA-N 2 1 344.503 2.861 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001483832973 1112493813 /nfs/dbraw/zinc/49/38/13/1112493813.db2.gz RHSJGKZWSRKSIG-HXUWFJFHSA-N 2 1 335.536 2.999 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CCC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001483833613 1112494366 /nfs/dbraw/zinc/49/43/66/1112494366.db2.gz MHDQLDWLZKMTQR-AZUAARDMSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001483844911 1112503099 /nfs/dbraw/zinc/50/30/99/1112503099.db2.gz CUCKHDMADOKYHB-HXUWFJFHSA-N 2 1 333.520 2.751 10 30 EFEEMP C#CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001483980512 1112623187 /nfs/dbraw/zinc/62/31/87/1112623187.db2.gz KXKQNCLOLHUZKA-IBGZPJMESA-N 2 1 347.547 2.833 10 30 EFEEMP C#CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CC/C=C/CCC)CC1 ZINC001483985619 1112630560 /nfs/dbraw/zinc/63/05/60/1112630560.db2.gz DUCBBDWIQSEQIZ-AQKVLALTSA-N 2 1 345.531 2.753 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001484173467 1112866400 /nfs/dbraw/zinc/86/64/00/1112866400.db2.gz FUTMYEWDTINPGP-SJLPKXTDSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001484173467 1112866406 /nfs/dbraw/zinc/86/64/06/1112866406.db2.gz FUTMYEWDTINPGP-SJLPKXTDSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001484173467 1112866411 /nfs/dbraw/zinc/86/64/11/1112866411.db2.gz FUTMYEWDTINPGP-SJLPKXTDSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001484173467 1112866414 /nfs/dbraw/zinc/86/64/14/1112866414.db2.gz FUTMYEWDTINPGP-SJLPKXTDSA-N 2 1 341.927 2.832 10 30 EFEEMP C=CCCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001484199258 1112922280 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333.520 2.633 10 30 EFEEMP CC#CC[NH+]1CCC(CCCCCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001484821132 1117755573 /nfs/dbraw/zinc/75/55/73/1117755573.db2.gz NLKFPYODKSNSET-HXUWFJFHSA-N 2 1 347.547 2.740 10 30 EFEEMP C=C(C)CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001484924744 1117828020 /nfs/dbraw/zinc/82/80/20/1117828020.db2.gz VXSFFWZYMINJRG-QZTJIDSGSA-N 2 1 333.520 2.940 10 30 EFEEMP C=C(C)C[NH+]1CCc2ccccc2[C@@H]1CNC(=O)C[N@@H+](C)CCC ZINC001485006075 1117936206 /nfs/dbraw/zinc/93/62/06/1117936206.db2.gz IXXZOAFCMVEHSL-IBGZPJMESA-N 2 1 329.488 2.620 10 30 EFEEMP C=C(C)C[NH+]1CCc2ccccc2[C@@H]1CNC(=O)C[N@H+](C)CCC ZINC001485006075 1117936209 /nfs/dbraw/zinc/93/62/09/1117936209.db2.gz IXXZOAFCMVEHSL-IBGZPJMESA-N 2 1 329.488 2.620 10 30 EFEEMP C=C(C)C[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001485006075 1117936211 /nfs/dbraw/zinc/93/62/11/1117936211.db2.gz IXXZOAFCMVEHSL-IBGZPJMESA-N 2 1 329.488 2.620 10 30 EFEEMP C=C(C)C[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001485006075 1117936214 /nfs/dbraw/zinc/93/62/14/1117936214.db2.gz IXXZOAFCMVEHSL-IBGZPJMESA-N 2 1 329.488 2.620 10 30 EFEEMP C=C(C)CC[N@H+](CC)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001485032087 1117958047 /nfs/dbraw/zinc/95/80/47/1117958047.db2.gz MGCFCDSAERULOO-UHFFFAOYSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CC[N@H+](CC)CC1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001485033655 1117967144 /nfs/dbraw/zinc/96/71/44/1117967144.db2.gz ORTWOKMCEOGDQQ-UHFFFAOYSA-N 2 1 347.547 2.855 10 30 EFEEMP C=CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001485071422 1118008544 /nfs/dbraw/zinc/00/85/44/1118008544.db2.gz PGFWLEMMUBFBFB-QGZVFWFLSA-N 2 1 332.492 2.896 10 30 EFEEMP C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001485071422 1118008546 /nfs/dbraw/zinc/00/85/46/1118008546.db2.gz PGFWLEMMUBFBFB-QGZVFWFLSA-N 2 1 332.492 2.896 10 30 EFEEMP C=CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001485071421 1118008609 /nfs/dbraw/zinc/00/86/09/1118008609.db2.gz PGFWLEMMUBFBFB-KRWDZBQOSA-N 2 1 332.492 2.896 10 30 EFEEMP C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001485071421 1118008613 /nfs/dbraw/zinc/00/86/13/1118008613.db2.gz PGFWLEMMUBFBFB-KRWDZBQOSA-N 2 1 332.492 2.896 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001485071168 1118008822 /nfs/dbraw/zinc/00/88/22/1118008822.db2.gz KLMIRXKUAOFZPF-SJORKVTESA-N 2 1 341.927 2.925 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001485071168 1118008808 /nfs/dbraw/zinc/00/88/08/1118008808.db2.gz KLMIRXKUAOFZPF-SJORKVTESA-N 2 1 341.927 2.925 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001485071168 1118008813 /nfs/dbraw/zinc/00/88/13/1118008813.db2.gz KLMIRXKUAOFZPF-SJORKVTESA-N 2 1 341.927 2.925 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001485071168 1118008818 /nfs/dbraw/zinc/00/88/18/1118008818.db2.gz KLMIRXKUAOFZPF-SJORKVTESA-N 2 1 341.927 2.925 10 30 EFEEMP C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001485085322 1118024857 /nfs/dbraw/zinc/02/48/57/1118024857.db2.gz ZYWKZYROJAYYLQ-OALUTQOASA-N 2 1 344.503 2.718 10 30 EFEEMP C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001485085322 1118024861 /nfs/dbraw/zinc/02/48/61/1118024861.db2.gz ZYWKZYROJAYYLQ-OALUTQOASA-N 2 1 344.503 2.718 10 30 EFEEMP C=CCCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001485085769 1118025168 /nfs/dbraw/zinc/02/51/68/1118025168.db2.gz WKMXUMHWCOXBAU-UXHICEINSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001485085769 1118025171 /nfs/dbraw/zinc/02/51/71/1118025171.db2.gz WKMXUMHWCOXBAU-UXHICEINSA-N 2 1 347.547 2.997 10 30 EFEEMP C=C(C)C[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001485091831 1118026342 /nfs/dbraw/zinc/02/63/42/1118026342.db2.gz GDIZHWGLBXHHQN-LXPRWKDFSA-N 2 1 333.520 2.702 10 30 EFEEMP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001485265802 1118184359 /nfs/dbraw/zinc/18/43/59/1118184359.db2.gz MVQKCKVANHAIJC-SFHVURJKSA-N 2 1 331.504 2.940 10 30 EFEEMP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001485258530 1118190013 /nfs/dbraw/zinc/19/00/13/1118190013.db2.gz NCMCODRXJOECSG-LJQANCHMSA-N 2 1 347.547 2.881 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCC1CCCCCC1 ZINC001485313247 1118226190 /nfs/dbraw/zinc/22/61/90/1118226190.db2.gz LITVRBAVVBDLMP-ICSRJNTNSA-N 2 1 347.547 2.881 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCC1CCCCCC1 ZINC001485313247 1118226192 /nfs/dbraw/zinc/22/61/92/1118226192.db2.gz LITVRBAVVBDLMP-ICSRJNTNSA-N 2 1 347.547 2.881 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CCC1CCCCCC1 ZINC001485313247 1118226194 /nfs/dbraw/zinc/22/61/94/1118226194.db2.gz LITVRBAVVBDLMP-ICSRJNTNSA-N 2 1 347.547 2.881 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CCC1CCCCCC1 ZINC001485313247 1118226196 /nfs/dbraw/zinc/22/61/96/1118226196.db2.gz LITVRBAVVBDLMP-ICSRJNTNSA-N 2 1 347.547 2.881 10 30 EFEEMP C=CCCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@@]2(C)C1 ZINC001485668100 1118516649 /nfs/dbraw/zinc/51/66/49/1118516649.db2.gz GAFYOGHLOFDHHE-IZZBFERCSA-N 2 1 347.547 2.853 10 30 EFEEMP C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@]2(C)C1 ZINC001485668100 1118516651 /nfs/dbraw/zinc/51/66/51/1118516651.db2.gz GAFYOGHLOFDHHE-IZZBFERCSA-N 2 1 347.547 2.853 10 30 EFEEMP C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@]2(C)C1 ZINC001485668100 1118516654 /nfs/dbraw/zinc/51/66/54/1118516654.db2.gz GAFYOGHLOFDHHE-IZZBFERCSA-N 2 1 347.547 2.853 10 30 EFEEMP C=CCCCCC[N@H+](C)C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001485758074 1118562664 /nfs/dbraw/zinc/56/26/64/1118562664.db2.gz WZMSXADKFONYRZ-HXUWFJFHSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001485758091 1118562690 /nfs/dbraw/zinc/56/26/90/1118562690.db2.gz ADAOUVADLFNUCM-LJQANCHMSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001485758091 1118562692 /nfs/dbraw/zinc/56/26/92/1118562692.db2.gz ADAOUVADLFNUCM-LJQANCHMSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CCC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001485758091 1118562693 /nfs/dbraw/zinc/56/26/93/1118562693.db2.gz ADAOUVADLFNUCM-LJQANCHMSA-N 2 1 333.520 2.892 10 30 EFEEMP C=C(C)CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001485764173 1118576665 /nfs/dbraw/zinc/57/66/65/1118576665.db2.gz YAZRFDDUOLVLKV-KRWDZBQOSA-N 2 1 344.503 2.643 10 30 EFEEMP C=C(C)CC[N@H+](C)C1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001485764173 1118576668 /nfs/dbraw/zinc/57/66/68/1118576668.db2.gz YAZRFDDUOLVLKV-KRWDZBQOSA-N 2 1 344.503 2.643 10 30 EFEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940800798 1118634030 /nfs/dbraw/zinc/63/40/30/1118634030.db2.gz HMHCBBZEUHNXFH-RBUKOAKNSA-N 2 1 345.531 2.633 10 30 EFEEMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000940800798 1118634032 /nfs/dbraw/zinc/63/40/32/1118634032.db2.gz HMHCBBZEUHNXFH-RBUKOAKNSA-N 2 1 345.531 2.633 10 30 EFEEMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940800798 1118634035 /nfs/dbraw/zinc/63/40/35/1118634035.db2.gz HMHCBBZEUHNXFH-RBUKOAKNSA-N 2 1 345.531 2.633 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000940988839 1118649107 /nfs/dbraw/zinc/64/91/07/1118649107.db2.gz YGINNJOXNAVKPH-WMZOPIPTSA-N 2 1 344.503 2.547 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000940988839 1118649108 /nfs/dbraw/zinc/64/91/08/1118649108.db2.gz YGINNJOXNAVKPH-WMZOPIPTSA-N 2 1 344.503 2.547 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@@H](C)CC)CC2(C)C)CC1 ZINC000941237447 1118695827 /nfs/dbraw/zinc/69/58/27/1118695827.db2.gz NMKGULZRIKQHSZ-PKOBYXMFSA-N 2 1 347.547 2.594 10 30 EFEEMP C[NH+]=C(NCc1nccc2ccccc21)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000245629689 240258080 /nfs/dbraw/zinc/25/80/80/240258080.db2.gz PRGDKUVISVZKNK-HNAYVOBHSA-N 2 1 339.487 2.629 10 30 EFEEMP C=CC[N@H+](CCOC)Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000361634725 242228791 /nfs/dbraw/zinc/22/87/91/242228791.db2.gz CAARBWPAKNXJEP-UHFFFAOYSA-N 2 1 331.504 2.853 10 30 EFEEMP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000189963745 287141938 /nfs/dbraw/zinc/14/19/38/287141938.db2.gz RILBTTWRFFLUDF-PXNSSMCTSA-N 2 1 326.488 2.721 10 30 EFEEMP C[C@@H](c1cccc(C#N)c1)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000189963745 287141940 /nfs/dbraw/zinc/14/19/40/287141940.db2.gz RILBTTWRFFLUDF-PXNSSMCTSA-N 2 1 326.488 2.721 10 30 EFEEMP C=CCCC[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076733758 472393736 /nfs/dbraw/zinc/39/37/36/472393736.db2.gz MOOHSNBKRGKESJ-UHFFFAOYSA-N 2 1 329.488 2.797 10 30 EFEEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000130834558 472632525 /nfs/dbraw/zinc/63/25/25/472632525.db2.gz OIVHWBVYMUTSEE-NVXWUHKLSA-N 2 1 330.476 2.535 10 30 EFEEMP C=CCC[C@H](C[N@H+]1CCCOCC1)Oc1ccc(C[NH+](C)C)cn1 ZINC000072420099 472663122 /nfs/dbraw/zinc/66/31/22/472663122.db2.gz HHROEIXAWDOKGG-GOSISDBHSA-N 2 1 333.476 2.579 10 30 EFEEMP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000106213705 472832309 /nfs/dbraw/zinc/83/23/09/472832309.db2.gz DWZNHRRBAJFIKY-DLBZAZTESA-N 2 1 332.492 2.896 10 30 EFEEMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000106213705 472832318 /nfs/dbraw/zinc/83/23/18/472832318.db2.gz DWZNHRRBAJFIKY-DLBZAZTESA-N 2 1 332.492 2.896 10 30 EFEEMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc(C#N)cc2OC)[C@H](C)C1 ZINC000081095981 473145995 /nfs/dbraw/zinc/14/59/95/473145995.db2.gz OVSKANFWJQHHFB-NVXWUHKLSA-N 2 1 331.460 2.608 10 30 EFEEMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc(C#N)cc2OC)[C@H](C)C1 ZINC000081095981 473146003 /nfs/dbraw/zinc/14/60/03/473146003.db2.gz OVSKANFWJQHHFB-NVXWUHKLSA-N 2 1 331.460 2.608 10 30 EFEEMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc(C#N)cc2OC)[C@H](C)C1 ZINC000081095981 473146007 /nfs/dbraw/zinc/14/60/07/473146007.db2.gz OVSKANFWJQHHFB-NVXWUHKLSA-N 2 1 331.460 2.608 10 30 EFEEMP C=C(C)C[NH+]1CCC([NH2+]C2CCN(Cc3cccnc3)CC2)CC1 ZINC000153052788 473606013 /nfs/dbraw/zinc/60/60/13/473606013.db2.gz WKSJZKRAXPJYHT-UHFFFAOYSA-N 2 1 328.504 2.676 10 30 EFEEMP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174899371 474114047 /nfs/dbraw/zinc/11/40/47/474114047.db2.gz KMMYACNCPFUFHW-PXNSSMCTSA-N 2 1 326.488 2.721 10 30 EFEEMP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174899371 474114052 /nfs/dbraw/zinc/11/40/52/474114052.db2.gz KMMYACNCPFUFHW-PXNSSMCTSA-N 2 1 326.488 2.721 10 30 EFEEMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2OC)[C@@H](C)C1 ZINC000248941557 474487926 /nfs/dbraw/zinc/48/79/26/474487926.db2.gz CSGZJICAXRQWTB-LPHOPBHVSA-N 2 1 345.487 2.793 10 30 EFEEMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2OC)[C@@H](C)C1 ZINC000248941557 474487932 /nfs/dbraw/zinc/48/79/32/474487932.db2.gz CSGZJICAXRQWTB-LPHOPBHVSA-N 2 1 345.487 2.793 10 30 EFEEMP CCC[N@H+](CCOCCC#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000339036354 474862595 /nfs/dbraw/zinc/86/25/95/474862595.db2.gz QAULIEWZVLOMHG-UHFFFAOYSA-N 2 1 345.491 2.705 10 30 EFEEMP CCC[N@@H+](CCOCCC#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000339036354 474862601 /nfs/dbraw/zinc/86/26/01/474862601.db2.gz QAULIEWZVLOMHG-UHFFFAOYSA-N 2 1 345.491 2.705 10 30 EFEEMP N#CCCOCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293531688 475025714 /nfs/dbraw/zinc/02/57/14/475025714.db2.gz JMCKDMDVQDVWTG-UHFFFAOYSA-N 2 1 327.472 2.905 10 30 EFEEMP C=CCCC[N@@H+](C)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000347333655 475239899 /nfs/dbraw/zinc/23/98/99/475239899.db2.gz QEYFOZRWCIXEQF-GOSISDBHSA-N 2 1 329.488 2.790 10 30 EFEEMP C=CCCC[N@H+](C)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000347333655 475239910 /nfs/dbraw/zinc/23/99/10/475239910.db2.gz QEYFOZRWCIXEQF-GOSISDBHSA-N 2 1 329.488 2.790 10 30 EFEEMP CC[N@H+]1CC[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)[C@H](C)C1 ZINC000437102730 477670466 /nfs/dbraw/zinc/67/04/66/477670466.db2.gz HEKJXKCGGMMZCO-HJZRJOMTSA-N 2 1 342.487 2.963 10 30 EFEEMP CC[NH+](CC)CC1CC[NH+](Cc2cccc(C(=O)OC)c2C#N)CC1 ZINC000535980951 478237072 /nfs/dbraw/zinc/23/70/72/478237072.db2.gz QKJQVVMRQMNTKY-UHFFFAOYSA-N 2 1 343.471 2.899 10 30 EFEEMP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000594440654 478388321 /nfs/dbraw/zinc/38/83/21/478388321.db2.gz HKBQMAPLXIVNBO-GOSISDBHSA-N 2 1 334.508 2.512 10 30 EFEEMP CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000594441869 478391315 /nfs/dbraw/zinc/39/13/15/478391315.db2.gz XLXHXFRFKVKCSX-OALUTQOASA-N 2 1 342.487 2.521 10 30 EFEEMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000600729932 478492044 /nfs/dbraw/zinc/49/20/44/478492044.db2.gz NVVHISCHCFAJKO-NEWSRXKRSA-N 2 1 327.472 2.684 10 30 EFEEMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000600729932 478492049 /nfs/dbraw/zinc/49/20/49/478492049.db2.gz NVVHISCHCFAJKO-NEWSRXKRSA-N 2 1 327.472 2.684 10 30 EFEEMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000527731863 478496412 /nfs/dbraw/zinc/49/64/12/478496412.db2.gz XTMWLYRGJDWKRK-IBGZPJMESA-N 2 1 348.535 2.733 10 30 EFEEMP N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000600738556 478498538 /nfs/dbraw/zinc/49/85/38/478498538.db2.gz JKOMTMHOEGFAJH-VQTJNVASSA-N 2 1 341.499 2.933 10 30 EFEEMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CCCO1 ZINC000594937881 478595978 /nfs/dbraw/zinc/59/59/78/478595978.db2.gz JLONPGXACNZBPP-QGZVFWFLSA-N 2 1 327.472 2.832 10 30 EFEEMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc(C#N)c1 ZINC000595069881 478649948 /nfs/dbraw/zinc/64/99/48/478649948.db2.gz LWKJMWLAYUOZDB-IERDGZPVSA-N 2 1 335.451 2.976 10 30 EFEEMP Cc1ccc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1C#N ZINC000599332486 479258218 /nfs/dbraw/zinc/25/82/18/479258218.db2.gz USDTYBARWWVETR-UHFFFAOYSA-N 2 1 340.515 2.857 10 30 EFEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nc2cc(Cl)ccn2c1C#N ZINC000596363617 479267057 /nfs/dbraw/zinc/26/70/57/479267057.db2.gz SYBKWHHSVCHVKV-ZDUSSCGKSA-N 2 1 348.882 2.543 10 30 EFEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nc2cc(Cl)ccn2c1C#N ZINC000596363617 479267066 /nfs/dbraw/zinc/26/70/66/479267066.db2.gz SYBKWHHSVCHVKV-ZDUSSCGKSA-N 2 1 348.882 2.543 10 30 EFEEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000599372387 479274388 /nfs/dbraw/zinc/27/43/88/479274388.db2.gz IZTCOSBIWMFIES-NEWSRXKRSA-N 2 1 327.472 2.541 10 30 EFEEMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000599402121 479284730 /nfs/dbraw/zinc/28/47/30/479284730.db2.gz JEDDLVJRHZGVGC-RBUKOAKNSA-N 2 1 341.499 2.931 10 30 EFEEMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000599402121 479284735 /nfs/dbraw/zinc/28/47/35/479284735.db2.gz JEDDLVJRHZGVGC-RBUKOAKNSA-N 2 1 341.499 2.931 10 30 EFEEMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@H](O)CC3(C#N)CC3)C2)s1 ZINC000599405540 479286732 /nfs/dbraw/zinc/28/67/32/479286732.db2.gz YOAGXXIGODPVRC-DLBZAZTESA-N 2 1 347.528 2.865 10 30 EFEEMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@H](O)CC3(C#N)CC3)C2)s1 ZINC000599405540 479286739 /nfs/dbraw/zinc/28/67/39/479286739.db2.gz YOAGXXIGODPVRC-DLBZAZTESA-N 2 1 347.528 2.865 10 30 EFEEMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@H](O)CC3(C#N)CC3)C2)s1 ZINC000599405540 479286745 /nfs/dbraw/zinc/28/67/45/479286745.db2.gz YOAGXXIGODPVRC-DLBZAZTESA-N 2 1 347.528 2.865 10 30 EFEEMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@](C)(C#N)C2)CC1 ZINC000597230665 479632980 /nfs/dbraw/zinc/63/29/80/479632980.db2.gz SYKXECVSZWGEHR-FQEVSTJZSA-N 2 1 326.488 2.954 10 30 EFEEMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@](C)(C#N)C2)CC1 ZINC000597230665 479632985 /nfs/dbraw/zinc/63/29/85/479632985.db2.gz SYKXECVSZWGEHR-FQEVSTJZSA-N 2 1 326.488 2.954 10 30 EFEEMP C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000651678479 481901849 /nfs/dbraw/zinc/90/18/49/481901849.db2.gz RQIMAFVNBUSFHM-YLJYHZDGSA-N 2 1 341.499 2.909 10 30 EFEEMP C=CC[C@]1(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)CCC[NH2+]1 ZINC000662675320 481928000 /nfs/dbraw/zinc/92/80/00/481928000.db2.gz LDLGRDUSQWOXNE-HXUWFJFHSA-N 2 1 329.488 2.841 10 30 EFEEMP C=CC[C@]1(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CCC[NH2+]1 ZINC000662698220 481939962 /nfs/dbraw/zinc/93/99/62/481939962.db2.gz JTMWWJQIJVGHOD-VQIMIIECSA-N 2 1 347.528 2.775 10 30 EFEEMP C=CC[C@]1(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CCC[NH2+]1 ZINC000662697951 481940208 /nfs/dbraw/zinc/94/02/08/481940208.db2.gz FOFJVNGADOVEKI-WSTZPKSXSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CC[C@@]1(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)CCC[NH2+]1 ZINC000662721509 481948177 /nfs/dbraw/zinc/94/81/77/481948177.db2.gz XIYHAKOQCUBGPR-UZLBHIALSA-N 2 1 343.471 2.717 10 30 EFEEMP C=CC[C@]1(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)CCC[NH2+]1 ZINC000662721507 481948335 /nfs/dbraw/zinc/94/83/35/481948335.db2.gz XIYHAKOQCUBGPR-OXJNMPFZSA-N 2 1 343.471 2.717 10 30 EFEEMP C=CC[C@]1(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000662750708 481958915 /nfs/dbraw/zinc/95/89/15/481958915.db2.gz DPRQCCACSZOUQX-YLJYHZDGSA-N 2 1 329.488 2.712 10 30 EFEEMP C=CC[C@]1(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662805552 481978856 /nfs/dbraw/zinc/97/88/56/481978856.db2.gz YVXIFJJYRBWYCJ-HFSMHLIXSA-N 2 1 341.499 2.712 10 30 EFEEMP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171651435 526525482 /nfs/dbraw/zinc/52/54/82/526525482.db2.gz YYMAJSKAOUSMCY-QGZVFWFLSA-N 2 1 330.476 2.548 10 30 EFEEMP C=CCOc1ccccc1C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457563 550154562 /nfs/dbraw/zinc/15/45/62/550154562.db2.gz DXULPKKKPUGGFY-HXUWFJFHSA-N 2 1 343.515 2.852 10 30 EFEEMP C=CCOc1ccccc1C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457563 550154563 /nfs/dbraw/zinc/15/45/63/550154563.db2.gz DXULPKKKPUGGFY-HXUWFJFHSA-N 2 1 343.515 2.852 10 30 EFEEMP CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000768806498 577304483 /nfs/dbraw/zinc/30/44/83/577304483.db2.gz FFWKEOLXQDOJRI-QUCCMNQESA-N 2 1 342.483 2.928 10 30 EFEEMP CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000768806498 577304485 /nfs/dbraw/zinc/30/44/85/577304485.db2.gz FFWKEOLXQDOJRI-QUCCMNQESA-N 2 1 342.483 2.928 10 30 EFEEMP CCC[NH+]1CCN(c2ccccc2C=[NH+]NCC(F)(F)F)CC1 ZINC000769813465 577387245 /nfs/dbraw/zinc/38/72/45/577387245.db2.gz GEEQJPSAANXVBD-UHFFFAOYSA-N 2 1 328.382 2.704 10 30 EFEEMP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001691356536 1248691422 /nfs/dbraw/zinc/69/14/22/1248691422.db2.gz UHVFNNVIEWHMHO-SQNIBIBYSA-N 2 1 344.503 2.637 10 30 EFEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)CC(C)(C)C1 ZINC001750946583 1249027012 /nfs/dbraw/zinc/02/70/12/1249027012.db2.gz HKNYNXQTMHSXOF-SJORKVTESA-N 2 1 341.515 2.849 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001691789786 1249224306 /nfs/dbraw/zinc/22/43/06/1249224306.db2.gz AZKJHKMIMXJXHV-MJGOQNOKSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CCCCC1 ZINC001268121789 1249697518 /nfs/dbraw/zinc/69/75/18/1249697518.db2.gz XIHILANXGNKSIB-MJGOQNOKSA-N 2 1 335.536 2.949 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001691075935 1248362942 /nfs/dbraw/zinc/36/29/42/1248362942.db2.gz WCSPCIDSGJQKOY-RTBURBONSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCC[NH+](CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001691226308 1248552432 /nfs/dbraw/zinc/55/24/32/1248552432.db2.gz WRGNQVFUUFAYFK-IBGZPJMESA-N 2 1 339.499 2.746 10 30 EFEEMP C=CCCC[N@@H+](CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C1CC1 ZINC001691226308 1248552437 /nfs/dbraw/zinc/55/24/37/1248552437.db2.gz WRGNQVFUUFAYFK-IBGZPJMESA-N 2 1 339.499 2.746 10 30 EFEEMP C=CCCC[N@H+](CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C1CC1 ZINC001691226308 1248552448 /nfs/dbraw/zinc/55/24/48/1248552448.db2.gz WRGNQVFUUFAYFK-IBGZPJMESA-N 2 1 339.499 2.746 10 30 EFEEMP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001691547835 1251762281 /nfs/dbraw/zinc/76/22/81/1251762281.db2.gz PRPUFTHTJRJGHS-CEXWTWQISA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001691547835 1251762284 /nfs/dbraw/zinc/76/22/84/1251762284.db2.gz PRPUFTHTJRJGHS-CEXWTWQISA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001691547835 1251762295 /nfs/dbraw/zinc/76/22/95/1251762295.db2.gz PRPUFTHTJRJGHS-CEXWTWQISA-N 2 1 333.520 2.607 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001691585248 1251794032 /nfs/dbraw/zinc/79/40/32/1251794032.db2.gz UDXYLNKFWJDATK-UXHICEINSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCCC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1C ZINC001272675053 1252088715 /nfs/dbraw/zinc/08/87/15/1252088715.db2.gz FLSFWQGDNNSALW-LJQANCHMSA-N 2 1 329.488 2.795 10 30 EFEEMP C=CCCC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001272675053 1252088720 /nfs/dbraw/zinc/08/87/20/1252088720.db2.gz FLSFWQGDNNSALW-LJQANCHMSA-N 2 1 329.488 2.795 10 30 EFEEMP C=CCCC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001272675053 1252088728 /nfs/dbraw/zinc/08/87/28/1252088728.db2.gz FLSFWQGDNNSALW-LJQANCHMSA-N 2 1 329.488 2.795 10 30 EFEEMP C=CCCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001484759315 1252933136 /nfs/dbraw/zinc/93/31/36/1252933136.db2.gz YZNSDGMNJMENGO-QGZVFWFLSA-N 2 1 332.492 2.500 10 30 EFEEMP C=CCCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001484759315 1252933141 /nfs/dbraw/zinc/93/31/41/1252933141.db2.gz YZNSDGMNJMENGO-QGZVFWFLSA-N 2 1 332.492 2.500 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001484772324 1252942657 /nfs/dbraw/zinc/94/26/57/1252942657.db2.gz QRXLPTFACKSUNR-MOPGFXCFSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001485827538 1257001082 /nfs/dbraw/zinc/00/10/82/1257001082.db2.gz PLCLUDAWSRNRDE-VQIMIIECSA-N 2 1 339.499 2.602 10 30 EFEEMP C=C(C)C[NH+](CC1CC1)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001670988995 1259345471 /nfs/dbraw/zinc/34/54/71/1259345471.db2.gz DMVLXBDPMPWOKG-KRWDZBQOSA-N 2 1 333.520 2.607 10 30 EFEEMP C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001670988995 1259345474 /nfs/dbraw/zinc/34/54/74/1259345474.db2.gz DMVLXBDPMPWOKG-KRWDZBQOSA-N 2 1 333.520 2.607 10 30 EFEEMP C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001670988995 1259345481 /nfs/dbraw/zinc/34/54/81/1259345481.db2.gz DMVLXBDPMPWOKG-KRWDZBQOSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001671039568 1259843524 /nfs/dbraw/zinc/84/35/24/1259843524.db2.gz OYZFYVYZYQTYEL-ICSRJNTNSA-N 2 1 335.536 2.997 10 30 EFEEMP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000921773283 1261383907 /nfs/dbraw/zinc/38/39/07/1261383907.db2.gz YJDCBROJXCZEHN-QFIPXVFZSA-N 2 1 349.478 2.902 10 30 EFEEMP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000921773283 1261383910 /nfs/dbraw/zinc/38/39/10/1261383910.db2.gz YJDCBROJXCZEHN-QFIPXVFZSA-N 2 1 349.478 2.902 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@@H]1C(F)(F)F ZINC001486451742 1263147779 /nfs/dbraw/zinc/14/77/79/1263147779.db2.gz BIFLCAGVFAMXRM-GJZGRUSLSA-N 2 1 349.441 2.663 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCC(C2(NC(=O)Cn3c[nH+]cc3C)CC2)CC1 ZINC001486489602 1263232349 /nfs/dbraw/zinc/23/23/49/1263232349.db2.gz QGVGNVAUBPYSLU-MRXNPFEDSA-N 2 1 344.503 2.907 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001691670365 1266678101 /nfs/dbraw/zinc/67/81/01/1266678101.db2.gz MHAFVRASQRQDEF-MJGOQNOKSA-N 2 1 335.536 2.994 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCC(C)(C)C)CCC1 ZINC001273100318 1267673651 /nfs/dbraw/zinc/67/36/51/1267673651.db2.gz VSBKYENIDAXEID-KRWDZBQOSA-N 2 1 333.520 2.539 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCC(C)(C)C)CCC1 ZINC001273100318 1267673661 /nfs/dbraw/zinc/67/36/61/1267673661.db2.gz VSBKYENIDAXEID-KRWDZBQOSA-N 2 1 333.520 2.539 10 30 EFEEMP N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000903460673 1312715530 /nfs/dbraw/zinc/71/55/30/1312715530.db2.gz HMTMAORTQPWLEO-JQHSSLGASA-N 2 1 333.863 2.930 10 30 EFEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000876768534 1291012939 /nfs/dbraw/zinc/01/29/39/1291012939.db2.gz XBGSGMOZKQHTHV-IHETXDGRSA-N 2 1 349.906 2.729 10 30 EFEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000876891909 1291060629 /nfs/dbraw/zinc/06/06/29/1291060629.db2.gz FPROVSAMISUJJR-ZNMIVQPWSA-N 2 1 342.270 2.671 10 30 EFEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000876891909 1291060639 /nfs/dbraw/zinc/06/06/39/1291060639.db2.gz FPROVSAMISUJJR-ZNMIVQPWSA-N 2 1 342.270 2.671 10 30 EFEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000876903151 1291065942 /nfs/dbraw/zinc/06/59/42/1291065942.db2.gz RKSXVVZEWDWDMZ-JQHSSLGASA-N 2 1 349.906 2.873 10 30 EFEEMP C=CCC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001273599025 1292115779 /nfs/dbraw/zinc/11/57/79/1292115779.db2.gz MSFZZGJKDOSMTL-RTBURBONSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001273599025 1292115786 /nfs/dbraw/zinc/11/57/86/1292115786.db2.gz MSFZZGJKDOSMTL-RTBURBONSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001273599025 1292115791 /nfs/dbraw/zinc/11/57/91/1292115791.db2.gz MSFZZGJKDOSMTL-RTBURBONSA-N 2 1 335.536 2.855 10 30 EFEEMP CC#CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001273606542 1292296137 /nfs/dbraw/zinc/29/61/37/1292296137.db2.gz ADXFJFUQSRRONZ-VQTJNVASSA-N 2 1 347.547 2.835 10 30 EFEEMP CC[NH+]=C(NC[C@@H](C)c1ccc(F)c(F)c1)NC[C@@H]1CC[N@@H+](C)C1 ZINC000095963524 1292626949 /nfs/dbraw/zinc/62/69/49/1292626949.db2.gz NDWVMTDZPANZTF-KGLIPLIRSA-N 2 1 338.446 2.575 10 30 EFEEMP C=CC[NH+]1CCCCC[C@H]1CNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001276319111 1292742523 /nfs/dbraw/zinc/74/25/23/1292742523.db2.gz HIFPAHOUBZRLQI-FQEVSTJZSA-N 2 1 343.515 2.708 10 30 EFEEMP C=CC[NH+]1CCCCC[C@H]1CNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001276319111 1292742528 /nfs/dbraw/zinc/74/25/28/1292742528.db2.gz HIFPAHOUBZRLQI-FQEVSTJZSA-N 2 1 343.515 2.708 10 30 EFEEMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001276319111 1292742538 /nfs/dbraw/zinc/74/25/38/1292742538.db2.gz HIFPAHOUBZRLQI-FQEVSTJZSA-N 2 1 343.515 2.708 10 30 EFEEMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001276319111 1292742545 /nfs/dbraw/zinc/74/25/45/1292742545.db2.gz HIFPAHOUBZRLQI-FQEVSTJZSA-N 2 1 343.515 2.708 10 30 EFEEMP CC#CC[NH2+]C1(CC)CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001273806930 1295960767 /nfs/dbraw/zinc/96/07/67/1295960767.db2.gz CYMIAWZIOYBBNO-UHFFFAOYSA-N 2 1 341.499 2.503 10 30 EFEEMP CC#CC[NH2+]C1(CC)CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001273806930 1295960780 /nfs/dbraw/zinc/96/07/80/1295960780.db2.gz CYMIAWZIOYBBNO-UHFFFAOYSA-N 2 1 341.499 2.503 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001274885971 1296202229 /nfs/dbraw/zinc/20/22/29/1296202229.db2.gz VYTMMRYUSGTSRU-MOPGFXCFSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001274885973 1296202813 /nfs/dbraw/zinc/20/28/13/1296202813.db2.gz VYTMMRYUSGTSRU-RBUKOAKNSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001273833694 1296245688 /nfs/dbraw/zinc/24/56/88/1296245688.db2.gz QFNPRNGWJACPOC-TZIWHRDSSA-N 2 1 345.531 2.609 10 30 EFEEMP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001489060549 1297991282 /nfs/dbraw/zinc/99/12/82/1297991282.db2.gz GJOJOUSSDSMTPT-MJGOQNOKSA-N 2 1 329.488 2.521 10 30 EFEEMP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001489060549 1297991293 /nfs/dbraw/zinc/99/12/93/1297991293.db2.gz GJOJOUSSDSMTPT-MJGOQNOKSA-N 2 1 329.488 2.521 10 30 EFEEMP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001489060559 1297991709 /nfs/dbraw/zinc/99/17/09/1297991709.db2.gz GTYBJCJIKQXPII-QUCCMNQESA-N 2 1 343.515 2.911 10 30 EFEEMP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001489060559 1297991715 /nfs/dbraw/zinc/99/17/15/1297991715.db2.gz GTYBJCJIKQXPII-QUCCMNQESA-N 2 1 343.515 2.911 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001489087370 1298010516 /nfs/dbraw/zinc/01/05/16/1298010516.db2.gz QNKJVHVEYLSCGZ-FGTMMUONSA-N 2 1 347.547 2.900 10 30 EFEEMP C=C(Cl)C[N@H+](C)CCCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001490219870 1298693558 /nfs/dbraw/zinc/69/35/58/1298693558.db2.gz VVHQLILEJSMPMY-UHFFFAOYSA-N 2 1 329.916 2.830 10 30 EFEEMP C=C(Cl)C[N@@H+](C)CCCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001490219870 1298693567 /nfs/dbraw/zinc/69/35/67/1298693567.db2.gz VVHQLILEJSMPMY-UHFFFAOYSA-N 2 1 329.916 2.830 10 30 EFEEMP C=C(Cl)C[NH+](C)CCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001490219870 1298693574 /nfs/dbraw/zinc/69/35/74/1298693574.db2.gz VVHQLILEJSMPMY-UHFFFAOYSA-N 2 1 329.916 2.830 10 30 EFEEMP C=C(Cl)C[NH+](C)CCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001490219870 1298693581 /nfs/dbraw/zinc/69/35/81/1298693581.db2.gz VVHQLILEJSMPMY-UHFFFAOYSA-N 2 1 329.916 2.830 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCCCC=C)C2)CC1 ZINC001490458394 1298935685 /nfs/dbraw/zinc/93/56/85/1298935685.db2.gz OTCDWCMFWXXIQU-HXUWFJFHSA-N 2 1 345.531 2.659 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001490765083 1299212574 /nfs/dbraw/zinc/21/25/74/1299212574.db2.gz BYNGJJIAJDWBOT-ZWKOTPCHSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001490777284 1299242319 /nfs/dbraw/zinc/24/23/19/1299242319.db2.gz OUJUSSXGSWHNSG-OALUTQOASA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001490794194 1299263560 /nfs/dbraw/zinc/26/35/60/1299263560.db2.gz WIJGDRRTEPJTIQ-OKYOBFRVSA-N 2 1 331.504 2.645 10 30 EFEEMP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001490794194 1299263570 /nfs/dbraw/zinc/26/35/70/1299263570.db2.gz WIJGDRRTEPJTIQ-OKYOBFRVSA-N 2 1 331.504 2.645 10 30 EFEEMP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001490794194 1299263583 /nfs/dbraw/zinc/26/35/83/1299263583.db2.gz WIJGDRRTEPJTIQ-OKYOBFRVSA-N 2 1 331.504 2.645 10 30 EFEEMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001490794190 1299263660 /nfs/dbraw/zinc/26/36/60/1299263660.db2.gz WIJGDRRTEPJTIQ-AKHDSKFASA-N 2 1 331.504 2.645 10 30 EFEEMP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001490794190 1299263666 /nfs/dbraw/zinc/26/36/66/1299263666.db2.gz WIJGDRRTEPJTIQ-AKHDSKFASA-N 2 1 331.504 2.645 10 30 EFEEMP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001490794190 1299263677 /nfs/dbraw/zinc/26/36/77/1299263677.db2.gz WIJGDRRTEPJTIQ-AKHDSKFASA-N 2 1 331.504 2.645 10 30 EFEEMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001490794196 1299264461 /nfs/dbraw/zinc/26/44/61/1299264461.db2.gz WIJGDRRTEPJTIQ-YRXWBPOGSA-N 2 1 331.504 2.645 10 30 EFEEMP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001490794196 1299264470 /nfs/dbraw/zinc/26/44/70/1299264470.db2.gz WIJGDRRTEPJTIQ-YRXWBPOGSA-N 2 1 331.504 2.645 10 30 EFEEMP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001490794196 1299264475 /nfs/dbraw/zinc/26/44/75/1299264475.db2.gz WIJGDRRTEPJTIQ-YRXWBPOGSA-N 2 1 331.504 2.645 10 30 EFEEMP CCCCCCC[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852763634 1299875426 /nfs/dbraw/zinc/87/54/26/1299875426.db2.gz CDNZHGRZPIUNEE-QGZVFWFLSA-N 2 1 333.524 2.969 10 30 EFEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nc2ccccc2cc1C#N ZINC000853773540 1300268882 /nfs/dbraw/zinc/26/88/82/1300268882.db2.gz HLCCHCWBRJWGIM-HNNXBMFYSA-N 2 1 325.460 2.790 10 30 EFEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nc2ccccc2cc1C#N ZINC000853773540 1300268888 /nfs/dbraw/zinc/26/88/88/1300268888.db2.gz HLCCHCWBRJWGIM-HNNXBMFYSA-N 2 1 325.460 2.790 10 30 EFEEMP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC[NH+](CCC2CC2)CC1 ZINC001278151247 1313714297 /nfs/dbraw/zinc/71/42/97/1313714297.db2.gz LFDXAJRCORFGBA-HXUWFJFHSA-N 2 1 345.531 2.586 10 30 EFEEMP C#CCN(C(=O)C[N@@H+](C)C(C)C)C1CC[NH+](CC(CC)CC)CC1 ZINC001278200488 1313781474 /nfs/dbraw/zinc/78/14/74/1313781474.db2.gz KQBUILSXFGNYIA-UHFFFAOYSA-N 2 1 335.536 2.689 10 30 EFEEMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cc(C#N)ccc2N(C)C)C[C@H](C)O1 ZINC000865472374 1303272259 /nfs/dbraw/zinc/27/22/59/1303272259.db2.gz ZSOLDCRBUCVAFX-CALCHBBNSA-N 2 1 344.503 2.603 10 30 EFEEMP CC[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)[C@H](C)C1 ZINC000866445318 1303644539 /nfs/dbraw/zinc/64/45/39/1303644539.db2.gz JCDODRCAWUPRPN-APWZRJJASA-N 2 1 326.488 2.847 10 30 EFEEMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001276624615 1314117306 /nfs/dbraw/zinc/11/73/06/1314117306.db2.gz KYOKDQJONVPHEY-MSOLQXFVSA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000900404477 1308131332 /nfs/dbraw/zinc/13/13/32/1308131332.db2.gz HOJZWZPROLXYRT-LJQANCHMSA-N 2 1 329.488 2.665 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000901064301 1309336095 /nfs/dbraw/zinc/33/60/95/1309336095.db2.gz OUZRSRZGOBQHJP-RUYXUALKSA-N 2 1 343.515 2.767 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000901086916 1309414674 /nfs/dbraw/zinc/41/46/74/1309414674.db2.gz CZPOIRLXOJHOPW-GOSISDBHSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000901238734 1309944481 /nfs/dbraw/zinc/94/44/81/1309944481.db2.gz HFHHMEWKEDGWCA-SJORKVTESA-N 2 1 335.879 2.709 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000901238734 1309944488 /nfs/dbraw/zinc/94/44/88/1309944488.db2.gz HFHHMEWKEDGWCA-SJORKVTESA-N 2 1 335.879 2.709 10 30 EFEEMP C=C(CC[NH+](C)C)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000901359909 1310224851 /nfs/dbraw/zinc/22/48/51/1310224851.db2.gz HBAARXPOLQNVQJ-MJGOQNOKSA-N 2 1 329.488 2.521 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001276996590 1311434103 /nfs/dbraw/zinc/43/41/03/1311434103.db2.gz ZDAYLSVYOOQOIP-ZHALLVOQSA-N 2 1 333.520 2.844 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001277285834 1311919780 /nfs/dbraw/zinc/91/97/80/1311919780.db2.gz QYIXRDOFGYDOPM-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001277283664 1311923434 /nfs/dbraw/zinc/92/34/34/1311923434.db2.gz GTRRPUUFAGYKOU-RTBURBONSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001277283664 1311923436 /nfs/dbraw/zinc/92/34/36/1311923436.db2.gz GTRRPUUFAGYKOU-RTBURBONSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001277283664 1311923439 /nfs/dbraw/zinc/92/34/39/1311923439.db2.gz GTRRPUUFAGYKOU-RTBURBONSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001277359559 1312053090 /nfs/dbraw/zinc/05/30/90/1312053090.db2.gz FEIDIARPEIPTMQ-OTWHNJEPSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)C1 ZINC001277359559 1312053093 /nfs/dbraw/zinc/05/30/93/1312053093.db2.gz FEIDIARPEIPTMQ-OTWHNJEPSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)C1 ZINC001277359559 1312053096 /nfs/dbraw/zinc/05/30/96/1312053096.db2.gz FEIDIARPEIPTMQ-OTWHNJEPSA-N 2 1 333.520 2.750 10 30 EFEEMP CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2cc(C#N)ccn2)[C@@H](C)C1 ZINC000902806032 1312122570 /nfs/dbraw/zinc/12/25/70/1312122570.db2.gz HZXOSTKFGZTQAL-BQFCYCMXSA-N 2 1 330.476 2.741 10 30 EFEEMP C=CCC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@]1(C)CCCCO1 ZINC000902981608 1312258575 /nfs/dbraw/zinc/25/85/75/1312258575.db2.gz PSVOXDNPAQHPHO-QUCCMNQESA-N 2 1 337.552 2.896 10 30 EFEEMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+](C)CCCCCC)C2)C1 ZINC001277474021 1312393374 /nfs/dbraw/zinc/39/33/74/1312393374.db2.gz MGOGSMAMDFNGJA-OAQYLSRUSA-N 2 1 347.547 2.836 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCC[C@@]2(CCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001277473209 1312398980 /nfs/dbraw/zinc/39/89/80/1312398980.db2.gz BDUZLTOIWWAGJM-UYAOXDASSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001277473209 1312398984 /nfs/dbraw/zinc/39/89/84/1312398984.db2.gz BDUZLTOIWWAGJM-UYAOXDASSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001277473209 1312398988 /nfs/dbraw/zinc/39/89/88/1312398988.db2.gz BDUZLTOIWWAGJM-UYAOXDASSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@]2(CCN(C(=O)CCc3c[nH]cn3)C2)C1 ZINC001277516259 1312505542 /nfs/dbraw/zinc/50/55/42/1312505542.db2.gz IDQUQLJJSQIAJS-APWZRJJASA-N 2 1 330.476 2.621 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@]2(CCN(C(=O)CCc3cnc[nH]3)C2)C1 ZINC001277516259 1312505545 /nfs/dbraw/zinc/50/55/45/1312505545.db2.gz IDQUQLJJSQIAJS-APWZRJJASA-N 2 1 330.476 2.621 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CC[C@]2(CCN(C(=O)CCc3cnc[nH]3)C2)C1 ZINC001277516259 1312505549 /nfs/dbraw/zinc/50/55/49/1312505549.db2.gz IDQUQLJJSQIAJS-APWZRJJASA-N 2 1 330.476 2.621 10 30 EFEEMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001277537358 1312527484 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WJFHAKYNQWVEFB-KSZLIROESA-N 2 1 338.540 2.693 10 30 EFEEMP C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC001252932747 1315535750 /nfs/dbraw/zinc/53/57/50/1315535750.db2.gz WJFHAKYNQWVEFB-KSZLIROESA-N 2 1 338.540 2.693 10 30 EFEEMP C=CC[C@H]1CCCC[C@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC001252932748 1315535907 /nfs/dbraw/zinc/53/59/07/1315535907.db2.gz WJFHAKYNQWVEFB-OKZBNKHCSA-N 2 1 338.540 2.693 10 30 EFEEMP C=CC[C@H]1CCCC[C@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC001252932748 1315535911 /nfs/dbraw/zinc/53/59/11/1315535911.db2.gz WJFHAKYNQWVEFB-OKZBNKHCSA-N 2 1 338.540 2.693 10 30 EFEEMP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C(F)(F)F ZINC001278703771 1315581859 /nfs/dbraw/zinc/58/18/59/1315581859.db2.gz MKHJUERRNBAVML-GJZGRUSLSA-N 2 1 349.441 2.519 10 30 EFEEMP C=CC[NH2+]C[C@H](NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC)C(C)(C)C ZINC001279021969 1316072963 /nfs/dbraw/zinc/07/29/63/1316072963.db2.gz RJVCEGORWWUBHC-ZWKOTPCHSA-N 2 1 331.504 2.986 10 30 EFEEMP C=CC[NH2+]C[C@@H](NC(=O)[C@H](c1ccccc1)[N@H+](C)CC)C(C)(C)C ZINC001279021966 1316073054 /nfs/dbraw/zinc/07/30/54/1316073054.db2.gz RJVCEGORWWUBHC-MSOLQXFVSA-N 2 1 331.504 2.986 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1CC ZINC001264055995 1316584354 /nfs/dbraw/zinc/58/43/54/1316584354.db2.gz WTBSNAPUGXCSMU-ZWKOTPCHSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001264196717 1316600058 /nfs/dbraw/zinc/60/00/58/1316600058.db2.gz JUMNZXXRXFMAKI-QZTJIDSGSA-N 2 1 335.536 2.900 10 30 EFEEMP C=C(Cl)C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)Cn1c[nH+]cc1C ZINC001264516356 1316626589 /nfs/dbraw/zinc/62/65/89/1316626589.db2.gz ZTHXJZNCSGVCRB-CJNGLKHVSA-N 2 1 338.883 2.551 10 30 EFEEMP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001264677479 1316653623 /nfs/dbraw/zinc/65/36/23/1316653623.db2.gz BPQFKIHGKHJPIQ-MRXNPFEDSA-N 2 1 348.491 2.677 10 30 EFEEMP C=CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001264742827 1316664232 /nfs/dbraw/zinc/66/42/32/1316664232.db2.gz IZIASZWWHGHUCM-ROUUACIJSA-N 2 1 344.503 2.643 10 30 EFEEMP C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001264742827 1316664234 /nfs/dbraw/zinc/66/42/34/1316664234.db2.gz IZIASZWWHGHUCM-ROUUACIJSA-N 2 1 344.503 2.643 10 30 EFEEMP CC#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001264745599 1316665389 /nfs/dbraw/zinc/66/53/89/1316665389.db2.gz MEZBBWVCBWSZNC-IBGZPJMESA-N 2 1 333.520 2.589 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001264753780 1316668632 /nfs/dbraw/zinc/66/86/32/1316668632.db2.gz OBCVCAMUCSBMOO-ZWKOTPCHSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001264753780 1316668634 /nfs/dbraw/zinc/66/86/34/1316668634.db2.gz OBCVCAMUCSBMOO-ZWKOTPCHSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001264753780 1316668636 /nfs/dbraw/zinc/66/86/36/1316668636.db2.gz OBCVCAMUCSBMOO-ZWKOTPCHSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)CC[N@@H+](CC)CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001265134390 1316732268 /nfs/dbraw/zinc/73/22/68/1316732268.db2.gz SNIUYNCPEKWFPI-LJQANCHMSA-N 2 1 341.515 2.993 10 30 EFEEMP C=C(C)CC[NH+](CC)CCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001265134390 1316732269 /nfs/dbraw/zinc/73/22/69/1316732269.db2.gz SNIUYNCPEKWFPI-LJQANCHMSA-N 2 1 341.515 2.993 10 30 EFEEMP C=C(C)CC[NH+](CC)CCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001265134390 1316732272 /nfs/dbraw/zinc/73/22/72/1316732272.db2.gz SNIUYNCPEKWFPI-LJQANCHMSA-N 2 1 341.515 2.993 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001265228510 1316760132 /nfs/dbraw/zinc/76/01/32/1316760132.db2.gz DLXZXADORUNDMS-FUHWJXTLSA-N 2 1 332.492 2.907 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001265228510 1316760134 /nfs/dbraw/zinc/76/01/34/1316760134.db2.gz DLXZXADORUNDMS-FUHWJXTLSA-N 2 1 332.492 2.907 10 30 EFEEMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001265329339 1316783626 /nfs/dbraw/zinc/78/36/26/1316783626.db2.gz DRBLCVCPUARIRY-ROUUACIJSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001265332453 1316784434 /nfs/dbraw/zinc/78/44/34/1316784434.db2.gz UWVSJPKPTFTCBV-KRWDZBQOSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001265390637 1316795660 /nfs/dbraw/zinc/79/56/60/1316795660.db2.gz JMBFLQOVRMLUBB-OALUTQOASA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001265390637 1316795661 /nfs/dbraw/zinc/79/56/61/1316795661.db2.gz JMBFLQOVRMLUBB-OALUTQOASA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001265390637 1316795662 /nfs/dbraw/zinc/79/56/62/1316795662.db2.gz JMBFLQOVRMLUBB-OALUTQOASA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001265394523 1316797576 /nfs/dbraw/zinc/79/75/76/1316797576.db2.gz DCXDODUQQYBGRZ-MSOLQXFVSA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001265522637 1316818948 /nfs/dbraw/zinc/81/89/48/1316818948.db2.gz ACLNCSFKKXOKFB-QZTJIDSGSA-N 2 1 335.536 2.853 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001265522637 1316818950 /nfs/dbraw/zinc/81/89/50/1316818950.db2.gz ACLNCSFKKXOKFB-QZTJIDSGSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001265544624 1316823554 /nfs/dbraw/zinc/82/35/54/1316823554.db2.gz NHNCGBAEDXTCNJ-ZSYWTGECSA-N 2 1 333.520 2.987 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC/C=C\CCC ZINC001265673190 1316850627 /nfs/dbraw/zinc/85/06/27/1316850627.db2.gz AEPLXIGXFZVZFZ-XOUUWWQPSA-N 2 1 345.531 2.801 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC/C=C\CCC ZINC001265673190 1316850629 /nfs/dbraw/zinc/85/06/29/1316850629.db2.gz AEPLXIGXFZVZFZ-XOUUWWQPSA-N 2 1 345.531 2.801 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC/C=C/CCC ZINC001265673191 1316850688 /nfs/dbraw/zinc/85/06/88/1316850688.db2.gz AEPLXIGXFZVZFZ-ZBWOGFRMSA-N 2 1 345.531 2.801 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC/C=C/CCC ZINC001265673191 1316850691 /nfs/dbraw/zinc/85/06/91/1316850691.db2.gz AEPLXIGXFZVZFZ-ZBWOGFRMSA-N 2 1 345.531 2.801 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001265680386 1316852385 /nfs/dbraw/zinc/85/23/85/1316852385.db2.gz OFGPJOHQMFUEBP-MSOLQXFVSA-N 2 1 344.503 2.691 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001265697097 1316857588 /nfs/dbraw/zinc/85/75/88/1316857588.db2.gz OCOSTDIRPJXXKC-ZWKOTPCHSA-N 2 1 333.520 2.750 10 30 EFEEMP 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C=CCC[C@@H](C)[NH2+]CC1(NC(=O)Cn2cc[nH+]c2C)CCCCC1 ZINC001282626920 1319037936 /nfs/dbraw/zinc/03/79/36/1319037936.db2.gz AQVZTDSSKPXBNH-MRXNPFEDSA-N 2 1 332.492 2.955 10 30 EFEEMP C=C(C)C[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001282648129 1319046313 /nfs/dbraw/zinc/04/63/13/1319046313.db2.gz PMZMPVICFJRWTL-IAGOWNOFSA-N 2 1 332.492 2.595 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001282972377 1319229515 /nfs/dbraw/zinc/22/95/15/1319229515.db2.gz IAMVMNLRCLPOLV-QZTJIDSGSA-N 2 1 335.536 2.852 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC001282993160 1319243238 /nfs/dbraw/zinc/24/32/38/1319243238.db2.gz VFARCYIDMPTAOJ-JYAXBFRTSA-N 2 1 347.547 2.853 10 30 EFEEMP C=CCC[C@H](C)[NH+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC001282993160 1319243249 /nfs/dbraw/zinc/24/32/49/1319243249.db2.gz VFARCYIDMPTAOJ-JYAXBFRTSA-N 2 1 347.547 2.853 10 30 EFEEMP C=CCC[C@H](C)[NH+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC001282993160 1319243260 /nfs/dbraw/zinc/24/32/60/1319243260.db2.gz VFARCYIDMPTAOJ-JYAXBFRTSA-N 2 1 347.547 2.853 10 30 EFEEMP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001283530083 1319793820 /nfs/dbraw/zinc/79/38/20/1319793820.db2.gz KFYHBGVZZQRYCE-VQTJNVASSA-N 2 1 345.531 2.633 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@@]2(NC(=O)Cn3cncc3C)CCC[C@H]12 ZINC001284056882 1320169557 /nfs/dbraw/zinc/16/95/57/1320169557.db2.gz IYRROHBTHAEXNH-IEZWGBDMSA-N 2 1 330.476 2.659 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@H]12 ZINC001284056882 1320169560 /nfs/dbraw/zinc/16/95/60/1320169560.db2.gz IYRROHBTHAEXNH-IEZWGBDMSA-N 2 1 330.476 2.659 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@H]12 ZINC001284056882 1320169563 /nfs/dbraw/zinc/16/95/63/1320169563.db2.gz IYRROHBTHAEXNH-IEZWGBDMSA-N 2 1 330.476 2.659 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1(C)C ZINC001284311080 1320314992 /nfs/dbraw/zinc/31/49/92/1320314992.db2.gz AWNSDAPRSXVCAT-AEFFLSMTSA-N 2 1 344.503 2.547 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1(C)C ZINC001284311088 1320315197 /nfs/dbraw/zinc/31/51/97/1320315197.db2.gz AWNSDAPRSXVCAT-WMZOPIPTSA-N 2 1 344.503 2.547 10 30 EFEEMP C=CCCC[NH2+]C[C@@H](NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C(C)(C)C ZINC001284623962 1320445482 /nfs/dbraw/zinc/44/54/82/1320445482.db2.gz DFEWRFBTTWRQBY-FUHWJXTLSA-N 2 1 346.519 2.841 10 30 EFEEMP C=CCC[NH2+]C[C@@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)C(C)(C)C ZINC001284632406 1320449352 /nfs/dbraw/zinc/44/93/52/1320449352.db2.gz SDLKSEBMTIRVLC-QGZVFWFLSA-N 2 1 348.491 2.581 10 30 EFEEMP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001284699622 1320481674 /nfs/dbraw/zinc/48/16/74/1320481674.db2.gz IJUQXBBHSNYRMT-DNVCBOLYSA-N 2 1 339.499 2.602 10 30 EFEEMP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001319610085 1328929331 /nfs/dbraw/zinc/92/93/31/1328929331.db2.gz RIPZLCPGKSKFGL-ZWKOTPCHSA-N 2 1 335.536 2.948 10 30 EFEEMP C=CCCC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001319708649 1328957744 /nfs/dbraw/zinc/95/77/44/1328957744.db2.gz MVCILGUENAKAGH-FUHWJXTLSA-N 2 1 332.492 2.765 10 30 EFEEMP C=CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001319860811 1329017536 /nfs/dbraw/zinc/01/75/36/1329017536.db2.gz ISPBZZFTSISKEW-FUHWJXTLSA-N 2 1 332.492 2.765 10 30 EFEEMP C=CCCC[NH+](C)C[C@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001322243880 1329440704 /nfs/dbraw/zinc/44/07/04/1329440704.db2.gz JEHNOCPFRAPBHV-MAUKXSAKSA-N 2 1 327.488 2.602 10 30 EFEEMP C=CCCC[NH+](C)C[C@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001322243880 1329440705 /nfs/dbraw/zinc/44/07/05/1329440705.db2.gz JEHNOCPFRAPBHV-MAUKXSAKSA-N 2 1 327.488 2.602 10 30 EFEEMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001316660697 1323022051 /nfs/dbraw/zinc/02/20/51/1323022051.db2.gz VBIAIQKSYXRKCG-FRQCXROJSA-N 2 1 339.499 2.650 10 30 EFEEMP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001316664351 1323514596 /nfs/dbraw/zinc/51/45/96/1323514596.db2.gz LTGAIBKLDHRSOY-SXLOBPIMSA-N 2 1 341.499 2.577 10 30 EFEEMP C=CCCC[NH2+][C@@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001491888643 1323996648 /nfs/dbraw/zinc/99/66/48/1323996648.db2.gz IVPUGWLCFWVIQT-SJORKVTESA-N 2 1 332.492 2.990 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCCCCC)C1 ZINC001491934063 1324049527 /nfs/dbraw/zinc/04/95/27/1324049527.db2.gz USRFFLPKQOMNJR-OALUTQOASA-N 2 1 333.520 2.587 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CCCCCC)C1 ZINC001491934063 1324049531 /nfs/dbraw/zinc/04/95/31/1324049531.db2.gz USRFFLPKQOMNJR-OALUTQOASA-N 2 1 333.520 2.587 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCCCCC)C1 ZINC001491934063 1324049533 /nfs/dbraw/zinc/04/95/33/1324049533.db2.gz USRFFLPKQOMNJR-OALUTQOASA-N 2 1 333.520 2.587 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCCCCC)C1 ZINC001491934063 1324049540 /nfs/dbraw/zinc/04/95/40/1324049540.db2.gz USRFFLPKQOMNJR-OALUTQOASA-N 2 1 333.520 2.587 10 30 EFEEMP C=C(C)CC[NH2+][C@H](C)CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001492085201 1324245506 /nfs/dbraw/zinc/24/55/06/1324245506.db2.gz MNBMXEBJTORPBZ-CRAIPNDOSA-N 2 1 327.488 2.650 10 30 EFEEMP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001492171879 1324309964 /nfs/dbraw/zinc/30/99/64/1324309964.db2.gz SFRQBEREJUDEER-MOPGFXCFSA-N 2 1 333.520 2.635 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001492178541 1324319040 /nfs/dbraw/zinc/31/90/40/1324319040.db2.gz PELWTOCQVCFGFT-PMACEKPBSA-N 2 1 347.547 2.881 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CCC2CCCCCC2)CC1 ZINC001317471796 1324771363 /nfs/dbraw/zinc/77/13/63/1324771363.db2.gz PLJVXNBQIXMXKY-UHFFFAOYSA-N 2 1 347.547 2.740 10 30 EFEEMP C=CCCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001316804135 1325051554 /nfs/dbraw/zinc/05/15/54/1325051554.db2.gz CCOVLJZTBLPECR-FHWLQOOXSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001316804135 1325051562 /nfs/dbraw/zinc/05/15/62/1325051562.db2.gz CCOVLJZTBLPECR-FHWLQOOXSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001316804135 1325051567 /nfs/dbraw/zinc/05/15/67/1325051567.db2.gz CCOVLJZTBLPECR-FHWLQOOXSA-N 2 1 335.536 2.996 10 30 EFEEMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)[C@H]1CC ZINC001316739295 1325101736 /nfs/dbraw/zinc/10/17/36/1325101736.db2.gz QKZCAXRRFCLDMB-IPMKNSEASA-N 2 1 329.488 2.835 10 30 EFEEMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)[C@H]1CC ZINC001316739295 1325101743 /nfs/dbraw/zinc/10/17/43/1325101743.db2.gz QKZCAXRRFCLDMB-IPMKNSEASA-N 2 1 329.488 2.835 10 30 EFEEMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)[C@H]1CC ZINC001316739295 1325101751 /nfs/dbraw/zinc/10/17/51/1325101751.db2.gz QKZCAXRRFCLDMB-IPMKNSEASA-N 2 1 329.488 2.835 10 30 EFEEMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)[C@H]1CC ZINC001316739295 1325101758 /nfs/dbraw/zinc/10/17/58/1325101758.db2.gz QKZCAXRRFCLDMB-IPMKNSEASA-N 2 1 329.488 2.835 10 30 EFEEMP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001316775209 1325129153 /nfs/dbraw/zinc/12/91/53/1325129153.db2.gz YMXNOPUETYCANL-RBUKOAKNSA-N 2 1 333.520 2.633 10 30 EFEEMP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001316804687 1325152526 /nfs/dbraw/zinc/15/25/26/1325152526.db2.gz BBMACSUIFGZZEB-WMZOPIPTSA-N 2 1 332.492 2.859 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001316804687 1325152528 /nfs/dbraw/zinc/15/25/28/1325152528.db2.gz BBMACSUIFGZZEB-WMZOPIPTSA-N 2 1 332.492 2.859 10 30 EFEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001316806353 1325156963 /nfs/dbraw/zinc/15/69/63/1325156963.db2.gz GWBZHSZXOLDANB-IBGZPJMESA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(Cl)C[N@@H+](CC)CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001316905179 1325311783 /nfs/dbraw/zinc/31/17/83/1325311783.db2.gz ZGGCBEUDIHBQKS-HOTGVXAUSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)C[NH+](CC)CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001316905179 1325311787 /nfs/dbraw/zinc/31/17/87/1325311787.db2.gz ZGGCBEUDIHBQKS-HOTGVXAUSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)C[NH+](CC)CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001316905179 1325311789 /nfs/dbraw/zinc/31/17/89/1325311789.db2.gz ZGGCBEUDIHBQKS-HOTGVXAUSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)C[N@@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001316920091 1325351938 /nfs/dbraw/zinc/35/19/38/1325351938.db2.gz BFCZNYPIZGJMOB-UHFFFAOYSA-N 2 1 327.900 2.584 10 30 EFEEMP C=C(Cl)C[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001316920091 1325351945 /nfs/dbraw/zinc/35/19/45/1325351945.db2.gz BFCZNYPIZGJMOB-UHFFFAOYSA-N 2 1 327.900 2.584 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCCCCCC)C2)CC1 ZINC001316950905 1325410184 /nfs/dbraw/zinc/41/01/84/1325410184.db2.gz FFLVEBMAJXGFMG-FQEVSTJZSA-N 2 1 347.547 2.883 10 30 EFEEMP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001317040370 1325508925 /nfs/dbraw/zinc/50/89/25/1325508925.db2.gz CVXBNDFDSKASKG-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001317041834 1325509703 /nfs/dbraw/zinc/50/97/03/1325509703.db2.gz JFUKZMBLZIPEQT-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001317046518 1325515854 /nfs/dbraw/zinc/51/58/54/1325515854.db2.gz XLKNGCSNPYJKHT-GOSISDBHSA-N 2 1 333.520 2.751 10 30 EFEEMP C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001317046747 1325517565 /nfs/dbraw/zinc/51/75/65/1325517565.db2.gz XADBURRZHUKYMT-LJQANCHMSA-N 2 1 335.536 2.999 10 30 EFEEMP C=CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1c[nH+]cc1C ZINC001317048355 1325520805 /nfs/dbraw/zinc/52/08/05/1325520805.db2.gz SOFALFVDLDCTTG-HDICACEKSA-N 2 1 330.476 2.613 10 30 EFEEMP C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1c[nH+]cc1C ZINC001317048355 1325520809 /nfs/dbraw/zinc/52/08/09/1325520809.db2.gz SOFALFVDLDCTTG-HDICACEKSA-N 2 1 330.476 2.613 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001317104362 1325571961 /nfs/dbraw/zinc/57/19/61/1325571961.db2.gz JAMYDBFUMGAGFD-MOPGFXCFSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCCn2cc[nH+]c2C)C1 ZINC001317104410 1325572834 /nfs/dbraw/zinc/57/28/34/1325572834.db2.gz JFTSIUXAOQMJDE-OALUTQOASA-N 2 1 344.503 2.861 10 30 EFEEMP C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCCn2cc[nH+]c2C)C1 ZINC001317104410 1325572839 /nfs/dbraw/zinc/57/28/39/1325572839.db2.gz JFTSIUXAOQMJDE-OALUTQOASA-N 2 1 344.503 2.861 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CCC[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001317144806 1327639069 /nfs/dbraw/zinc/63/90/69/1327639069.db2.gz VCZOHJIFEWPFAQ-RBUKOAKNSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001317176433 1327688696 /nfs/dbraw/zinc/68/86/96/1327688696.db2.gz BWNYUVJDRLWDRT-ZWKOTPCHSA-N 2 1 344.503 2.691 10 30 EFEEMP C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001317176433 1327688706 /nfs/dbraw/zinc/68/87/06/1327688706.db2.gz BWNYUVJDRLWDRT-ZWKOTPCHSA-N 2 1 344.503 2.691 10 30 EFEEMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001317208791 1327745604 /nfs/dbraw/zinc/74/56/04/1327745604.db2.gz NRXJRARBAWKXHH-WOJBJXKFSA-N 2 1 345.531 2.731 10 30 EFEEMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001317208788 1327746086 /nfs/dbraw/zinc/74/60/86/1327746086.db2.gz NRXJRARBAWKXHH-UXHICEINSA-N 2 1 345.531 2.731 10 30 EFEEMP C=CCC[C@@H](C)[N@H+](CC)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001317484966 1328067261 /nfs/dbraw/zinc/06/72/61/1328067261.db2.gz VNJUVGNKMQBVAW-WBVHZDCISA-N 2 1 332.492 2.547 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001317484966 1328067268 /nfs/dbraw/zinc/06/72/68/1328067268.db2.gz VNJUVGNKMQBVAW-WBVHZDCISA-N 2 1 332.492 2.547 10 30 EFEEMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001317531683 1328118457 /nfs/dbraw/zinc/11/84/57/1328118457.db2.gz BXSMOVNAMFGYRY-HKUYNNGSSA-N 2 1 329.488 2.694 10 30 EFEEMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001317531683 1328118467 /nfs/dbraw/zinc/11/84/67/1328118467.db2.gz BXSMOVNAMFGYRY-HKUYNNGSSA-N 2 1 329.488 2.694 10 30 EFEEMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001317531683 1328118472 /nfs/dbraw/zinc/11/84/72/1328118472.db2.gz BXSMOVNAMFGYRY-HKUYNNGSSA-N 2 1 329.488 2.694 10 30 EFEEMP C#CC[NH2+][C@@H](CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC)c1ccccc1 ZINC001317727778 1328338097 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MTIFTUYRHZXRCM-UYAOXDASSA-N 2 1 345.531 2.587 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001317984943 1328468787 /nfs/dbraw/zinc/46/87/87/1328468787.db2.gz IUPLTGXHLIAQRK-IRXDYDNUSA-N 2 1 332.492 2.942 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001317984943 1328468792 /nfs/dbraw/zinc/46/87/92/1328468792.db2.gz IUPLTGXHLIAQRK-IRXDYDNUSA-N 2 1 332.492 2.942 10 30 EFEEMP C=CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001322243880 1329440703 /nfs/dbraw/zinc/44/07/03/1329440703.db2.gz JEHNOCPFRAPBHV-MAUKXSAKSA-N 2 1 327.488 2.602 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001323258592 1329528210 /nfs/dbraw/zinc/52/82/10/1329528210.db2.gz NSAALPMBVRBBIV-WMLDXEAASA-N 2 1 326.444 2.802 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001323258642 1329528230 /nfs/dbraw/zinc/52/82/30/1329528230.db2.gz NSAALPMBVRBBIV-YOEHRIQHSA-N 2 1 326.444 2.802 10 30 EFEEMP 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QNMRYDIXLAOHHR-PBHICJAKSA-N 2 1 329.916 2.734 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC001392247683 1355905305 /nfs/dbraw/zinc/90/53/05/1355905305.db2.gz DVEVYLKFLICFKJ-IRXDYDNUSA-N 2 1 337.895 2.772 10 30 EFEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001398447639 1360564824 /nfs/dbraw/zinc/56/48/24/1360564824.db2.gz CPEMIBHEURJHHU-DLBZAZTESA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001398447639 1360564827 /nfs/dbraw/zinc/56/48/27/1360564827.db2.gz CPEMIBHEURJHHU-DLBZAZTESA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001398447639 1360564831 /nfs/dbraw/zinc/56/48/31/1360564831.db2.gz CPEMIBHEURJHHU-DLBZAZTESA-N 2 1 341.927 2.782 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001437207348 1387469127 /nfs/dbraw/zinc/46/91/27/1387469127.db2.gz QYNFITTWFJRCGO-GDBMZVCRSA-N 2 1 327.900 2.630 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001398752266 1360762931 /nfs/dbraw/zinc/76/29/31/1360762931.db2.gz BXHFPCSMKYUQAC-IAGOWNOFSA-N 2 1 341.927 2.832 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001400208591 1361844944 /nfs/dbraw/zinc/84/49/44/1361844944.db2.gz XUCIPJIUEJEMBQ-IRXDYDNUSA-N 2 1 341.927 2.688 10 30 EFEEMP C=C(Cl)C[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001401179672 1362514466 /nfs/dbraw/zinc/51/44/66/1362514466.db2.gz JGUCPQQOHZNAHC-OAHLLOKOSA-N 2 1 327.900 2.632 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001401274999 1362619716 /nfs/dbraw/zinc/61/97/16/1362619716.db2.gz YVOWHTSOACYXAA-JKSUJKDBSA-N 2 1 329.916 2.734 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001401274997 1362619281 /nfs/dbraw/zinc/61/92/81/1362619281.db2.gz YVOWHTSOACYXAA-HOTGVXAUSA-N 2 1 329.916 2.734 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001401643762 1362994388 /nfs/dbraw/zinc/99/43/88/1362994388.db2.gz NGHTZWLLRBNDGH-GDBMZVCRSA-N 2 1 327.900 2.630 10 30 EFEEMP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001402250286 1363570004 /nfs/dbraw/zinc/57/00/04/1363570004.db2.gz LXXUKMWYCDLQJT-JKSUJKDBSA-N 2 1 339.911 2.584 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001405684543 1366336440 /nfs/dbraw/zinc/33/64/40/1366336440.db2.gz KNOGRJRHOBXVKC-ZDUSSCGKSA-N 2 1 329.916 2.734 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001405931742 1366534495 /nfs/dbraw/zinc/53/44/95/1366534495.db2.gz QHEAMDDNOZIIBE-HRCADAONSA-N 2 1 329.916 2.590 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CCCCC1 ZINC001405945055 1366983585 /nfs/dbraw/zinc/98/35/85/1366983585.db2.gz FMQJMFHVVMAYOW-WMLDXEAASA-N 2 1 341.927 2.735 10 30 EFEEMP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001408099066 1369605286 /nfs/dbraw/zinc/60/52/86/1369605286.db2.gz SYUNJJUEHGGSSF-CVEARBPZSA-N 2 1 339.911 2.727 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001420928636 1377893141 /nfs/dbraw/zinc/89/31/41/1377893141.db2.gz HPZAIKXHYOIEFA-DLBZAZTESA-N 2 1 341.927 2.784 10 30 EFEEMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(C#N)ccn2)CC1 ZINC001421610571 1378879505 /nfs/dbraw/zinc/87/95/05/1378879505.db2.gz IHYRIAVKRAWUDM-UHFFFAOYSA-N 2 1 330.476 2.524 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)CC[C@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001425908659 1383846180 /nfs/dbraw/zinc/84/61/80/1383846180.db2.gz NIUZDYRGNRVZDK-JFIYKMOQSA-N 2 1 339.911 2.727 10 30 EFEEMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)CC[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001425908659 1383846185 /nfs/dbraw/zinc/84/61/85/1383846185.db2.gz NIUZDYRGNRVZDK-JFIYKMOQSA-N 2 1 339.911 2.727 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001425908659 1383846189 /nfs/dbraw/zinc/84/61/89/1383846189.db2.gz NIUZDYRGNRVZDK-JFIYKMOQSA-N 2 1 339.911 2.727 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001425908659 1383846195 /nfs/dbraw/zinc/84/61/95/1383846195.db2.gz NIUZDYRGNRVZDK-JFIYKMOQSA-N 2 1 339.911 2.727 10 30 EFEEMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001506819566 1406297150 /nfs/dbraw/zinc/29/71/50/1406297150.db2.gz IIOZQFJYXVWHQW-MKXGPGLRSA-N 2 1 333.520 2.511 10 30 EFEEMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001506829610 1406308744 /nfs/dbraw/zinc/30/87/44/1406308744.db2.gz MLSQWNCKZFQBIX-YSTOQKLRSA-N 2 1 347.547 2.757 10 30 EFEEMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001506864409 1406369759 /nfs/dbraw/zinc/36/97/59/1406369759.db2.gz DUVFQIISWHYGAF-UHFFFAOYSA-N 2 1 333.520 2.753 10 30 EFEEMP C=CCCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001506866385 1406374541 /nfs/dbraw/zinc/37/45/41/1406374541.db2.gz PCAIDLJMVKCMJK-ROUUACIJSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001506866385 1406374548 /nfs/dbraw/zinc/37/45/48/1406374548.db2.gz PCAIDLJMVKCMJK-ROUUACIJSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001506866385 1406374531 /nfs/dbraw/zinc/37/45/31/1406374531.db2.gz PCAIDLJMVKCMJK-ROUUACIJSA-N 2 1 333.520 2.607 10 30 EFEEMP C=C(Cl)C[NH2+]C1(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)CCC1 ZINC001440299912 1389514006 /nfs/dbraw/zinc/51/40/06/1389514006.db2.gz KVXDGKBPLRPFSS-AWEZNQCLSA-N 2 1 338.883 2.778 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC1CCCCCC1 ZINC001506928212 1406454431 /nfs/dbraw/zinc/45/44/31/1406454431.db2.gz ZGXXFRWHRZVXIN-QUCCMNQESA-N 2 1 347.547 2.929 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC1CCCCCC1 ZINC001506928212 1406454437 /nfs/dbraw/zinc/45/44/37/1406454437.db2.gz ZGXXFRWHRZVXIN-QUCCMNQESA-N 2 1 347.547 2.929 10 30 EFEEMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC[NH+]1CCCC1 ZINC001447036703 1391665577 /nfs/dbraw/zinc/66/55/77/1391665577.db2.gz GUELCWGQWVEFGB-IAGOWNOFSA-N 2 1 339.911 2.680 10 30 EFEEMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC[NH+]1CCCC1 ZINC001447036703 1391665582 /nfs/dbraw/zinc/66/55/82/1391665582.db2.gz GUELCWGQWVEFGB-IAGOWNOFSA-N 2 1 339.911 2.680 10 30 EFEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001447786991 1391767900 /nfs/dbraw/zinc/76/79/00/1391767900.db2.gz ZKWDURWIQWMHPD-SJORKVTESA-N 2 1 341.927 2.926 10 30 EFEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001447786991 1391767905 /nfs/dbraw/zinc/76/79/05/1391767905.db2.gz ZKWDURWIQWMHPD-SJORKVTESA-N 2 1 341.927 2.926 10 30 EFEEMP C=CCCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001507024037 1406605176 /nfs/dbraw/zinc/60/51/76/1406605176.db2.gz SUARSFCBYURBGH-IEBWSBKVSA-N 2 1 344.503 2.547 10 30 EFEEMP C=CCC[C@@H]1CCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001460888036 1396266843 /nfs/dbraw/zinc/26/68/43/1396266843.db2.gz YFWAHXXOIHUYOH-RTBURBONSA-N 2 1 329.488 2.836 10 30 EFEEMP C=C(C[NH+](C)C)C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001471062914 1397138607 /nfs/dbraw/zinc/13/86/07/1397138607.db2.gz GVHDFZNBUXNPFC-LJQANCHMSA-N 2 1 329.488 2.665 10 30 EFEEMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001479320187 1397683821 /nfs/dbraw/zinc/68/38/21/1397683821.db2.gz BEESKMOKQJOCJQ-BGTYHANMSA-N 2 1 344.503 2.593 10 30 EFEEMP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001479493379 1397736890 /nfs/dbraw/zinc/73/68/90/1397736890.db2.gz DZVZKZSUKFBVLR-JQHSSLGASA-N 2 1 349.906 2.916 10 30 EFEEMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@H]1CC ZINC001479647569 1397760187 /nfs/dbraw/zinc/76/01/87/1397760187.db2.gz UJAJQLKUTXKBKS-OTWHNJEPSA-N 2 1 329.488 2.835 10 30 EFEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@H]1CC ZINC001479647569 1397760189 /nfs/dbraw/zinc/76/01/89/1397760189.db2.gz UJAJQLKUTXKBKS-OTWHNJEPSA-N 2 1 329.488 2.835 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001479745000 1397802150 /nfs/dbraw/zinc/80/21/50/1397802150.db2.gz JHNDMJWFGJERSF-SFHVURJKSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CCC2(C[C@@H]2NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001479981530 1398067286 /nfs/dbraw/zinc/06/72/86/1398067286.db2.gz AYMCRPHPWRCAGP-WBVHZDCISA-N 2 1 330.476 2.517 10 30 EFEEMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001479989082 1398073975 /nfs/dbraw/zinc/07/39/75/1398073975.db2.gz XNGIHYXRGQBANA-RBUKOAKNSA-N 2 1 341.499 2.836 10 30 EFEEMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001480078588 1398112324 /nfs/dbraw/zinc/11/23/24/1398112324.db2.gz VHNKNXODOSCENJ-OALUTQOASA-N 2 1 347.547 2.997 10 30 EFEEMP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001480078588 1398112328 /nfs/dbraw/zinc/11/23/28/1398112328.db2.gz VHNKNXODOSCENJ-OALUTQOASA-N 2 1 347.547 2.997 10 30 EFEEMP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001480078588 1398112333 /nfs/dbraw/zinc/11/23/33/1398112333.db2.gz VHNKNXODOSCENJ-OALUTQOASA-N 2 1 347.547 2.997 10 30 EFEEMP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001480082371 1398118667 /nfs/dbraw/zinc/11/86/67/1398118667.db2.gz UZUKTRQATHTHDW-LJQANCHMSA-N 2 1 347.547 2.835 10 30 EFEEMP CC#CC[NH+](C)C[C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001480082371 1398118672 /nfs/dbraw/zinc/11/86/72/1398118672.db2.gz UZUKTRQATHTHDW-LJQANCHMSA-N 2 1 347.547 2.835 10 30 EFEEMP CC#CC[NH+](C)C[C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001480082371 1398118677 /nfs/dbraw/zinc/11/86/77/1398118677.db2.gz UZUKTRQATHTHDW-LJQANCHMSA-N 2 1 347.547 2.835 10 30 EFEEMP C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001480187656 1398157238 /nfs/dbraw/zinc/15/72/38/1398157238.db2.gz DDONFLULGCDAEQ-OALUTQOASA-N 2 1 333.520 2.751 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001480367530 1398181585 /nfs/dbraw/zinc/18/15/85/1398181585.db2.gz KXFNNXDYIVENJY-JKSUJKDBSA-N 2 1 327.900 2.584 10 30 EFEEMP C=CCC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001480711333 1398303449 /nfs/dbraw/zinc/30/34/49/1398303449.db2.gz WWLQPWQPMYAZDY-OALUTQOASA-N 2 1 329.488 2.712 10 30 EFEEMP C=CCC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001480711333 1398303457 /nfs/dbraw/zinc/30/34/57/1398303457.db2.gz WWLQPWQPMYAZDY-OALUTQOASA-N 2 1 329.488 2.712 10 30 EFEEMP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001493150214 1398481194 /nfs/dbraw/zinc/48/11/94/1398481194.db2.gz TZZSWSNRTUYJKF-RBUKOAKNSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001493150214 1398481199 /nfs/dbraw/zinc/48/11/99/1398481199.db2.gz TZZSWSNRTUYJKF-RBUKOAKNSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001493150214 1398481204 /nfs/dbraw/zinc/48/12/04/1398481204.db2.gz TZZSWSNRTUYJKF-RBUKOAKNSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001493150214 1398481205 /nfs/dbraw/zinc/48/12/05/1398481205.db2.gz TZZSWSNRTUYJKF-RBUKOAKNSA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001507364611 1406957689 /nfs/dbraw/zinc/95/76/89/1406957689.db2.gz PNXKGMHCOMJLAO-OKZBNKHCSA-N 2 1 344.503 2.799 10 30 EFEEMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1C ZINC001507375288 1406974669 /nfs/dbraw/zinc/97/46/69/1406974669.db2.gz LXWHDRSVLVUSBT-AEFFLSMTSA-N 2 1 333.520 2.632 10 30 EFEEMP C#CCC[NH+]1CCC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H]1C ZINC001507375288 1406974674 /nfs/dbraw/zinc/97/46/74/1406974674.db2.gz LXWHDRSVLVUSBT-AEFFLSMTSA-N 2 1 333.520 2.632 10 30 EFEEMP C#CCC[NH+]1CCC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H]1C ZINC001507375288 1406974681 /nfs/dbraw/zinc/97/46/81/1406974681.db2.gz LXWHDRSVLVUSBT-AEFFLSMTSA-N 2 1 333.520 2.632 10 30 EFEEMP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001493847087 1398919338 /nfs/dbraw/zinc/91/93/38/1398919338.db2.gz NWTQTJUQVIMVJH-PXNSSMCTSA-N 2 1 333.520 2.655 10 30 EFEEMP C=CCCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC001493889482 1398956035 /nfs/dbraw/zinc/95/60/35/1398956035.db2.gz SGIXDSWIQMAXNX-BHIYHBOVSA-N 2 1 329.488 2.740 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCCCCC)[C@@H]2C)CC1 ZINC001507388835 1407000894 /nfs/dbraw/zinc/00/08/94/1407000894.db2.gz VDGHMCVPSXRXPD-QUCCMNQESA-N 2 1 347.547 2.881 10 30 EFEEMP C=CCCC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001494042655 1399083509 /nfs/dbraw/zinc/08/35/09/1399083509.db2.gz MDQBYVKBPZTWFP-ZWKOTPCHSA-N 2 1 344.503 2.548 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001494042655 1399083511 /nfs/dbraw/zinc/08/35/11/1399083511.db2.gz MDQBYVKBPZTWFP-ZWKOTPCHSA-N 2 1 344.503 2.548 10 30 EFEEMP C=CCC[N@H+]1CC[C@H](CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001494083351 1399121112 /nfs/dbraw/zinc/12/11/12/1399121112.db2.gz PDRDRHLCGKOGPM-PKOBYXMFSA-N 2 1 329.488 2.694 10 30 EFEEMP C=CCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001494083351 1399121113 /nfs/dbraw/zinc/12/11/13/1399121113.db2.gz PDRDRHLCGKOGPM-PKOBYXMFSA-N 2 1 329.488 2.694 10 30 EFEEMP C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001494161175 1399176219 /nfs/dbraw/zinc/17/62/19/1399176219.db2.gz BSNXXXIDWHNYAK-OALUTQOASA-N 2 1 335.536 2.997 10 30 EFEEMP C#CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001494205541 1399211630 /nfs/dbraw/zinc/21/16/30/1399211630.db2.gz RMCDPDYRYXVCNI-FQEVSTJZSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CC[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001494205541 1399211633 /nfs/dbraw/zinc/21/16/33/1399211633.db2.gz RMCDPDYRYXVCNI-FQEVSTJZSA-N 2 1 345.531 2.587 10 30 EFEEMP C#CC[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001494205541 1399211635 /nfs/dbraw/zinc/21/16/35/1399211635.db2.gz RMCDPDYRYXVCNI-FQEVSTJZSA-N 2 1 345.531 2.587 10 30 EFEEMP CCCCCCC[NH+]1CC(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001494452304 1399332795 /nfs/dbraw/zinc/33/27/95/1399332795.db2.gz HLAVACCFQUZTEA-IBGZPJMESA-N 2 1 341.515 2.970 10 30 EFEEMP CCCCCCC[NH+]1CC(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001494452304 1399332797 /nfs/dbraw/zinc/33/27/97/1399332797.db2.gz HLAVACCFQUZTEA-IBGZPJMESA-N 2 1 341.515 2.970 10 30 EFEEMP CCCCCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3nccn3C2)C1 ZINC001494760728 1399459575 /nfs/dbraw/zinc/45/95/75/1399459575.db2.gz AIDAXBLEWSFWAC-DLBZAZTESA-N 2 1 332.492 2.606 10 30 EFEEMP CCCCCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001494760729 1399459629 /nfs/dbraw/zinc/45/96/29/1399459629.db2.gz AIDAXBLEWSFWAC-IAGOWNOFSA-N 2 1 332.492 2.606 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001494792186 1399469842 /nfs/dbraw/zinc/46/98/42/1399469842.db2.gz RQXIKCQGNDPSEQ-QFBILLFUSA-N 2 1 329.488 2.907 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001494861825 1399511684 /nfs/dbraw/zinc/51/16/84/1399511684.db2.gz KNVYYJXKAXOCGB-IBGZPJMESA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1(C)C ZINC001507443759 1407059063 /nfs/dbraw/zinc/05/90/63/1407059063.db2.gz MNCSMKVNZCDUHK-ZWKOTPCHSA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1(C)C ZINC001507446090 1407062831 /nfs/dbraw/zinc/06/28/31/1407062831.db2.gz NVCTYMQETYISLG-LJQANCHMSA-N 2 1 343.515 2.564 10 30 EFEEMP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001495361536 1399906146 /nfs/dbraw/zinc/90/61/46/1399906146.db2.gz YUYNONLEZUGZAF-OALUTQOASA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001495384827 1399931058 /nfs/dbraw/zinc/93/10/58/1399931058.db2.gz FLMXEJLCHLJBMI-ZWKOTPCHSA-N 2 1 344.503 2.548 10 30 EFEEMP C=CCC[NH2+]CCC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001495417442 1399962912 /nfs/dbraw/zinc/96/29/12/1399962912.db2.gz BDCMIXAKJCCGHC-RTBURBONSA-N 2 1 333.520 2.798 10 30 EFEEMP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001495462669 1400001228 /nfs/dbraw/zinc/00/12/28/1400001228.db2.gz UJNDXZIBPREGOS-IYARVYRRSA-N 2 1 333.520 2.681 10 30 EFEEMP C#CCC[NH+]1CCC(CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001495516835 1400047093 /nfs/dbraw/zinc/04/70/93/1400047093.db2.gz HRUNHMCEDSOGAZ-QGZVFWFLSA-N 2 1 344.503 2.638 10 30 EFEEMP C=CCCC[NH+]1CCC2(C1)CCN(C(=O)C[C@H]1CC[N@H+](C)C1)CC2 ZINC001495603203 1400112195 /nfs/dbraw/zinc/11/21/95/1400112195.db2.gz VMERSLVTBIDAIF-GOSISDBHSA-N 2 1 333.520 2.609 10 30 EFEEMP C=CCCC[N@H+]1CCC2(C1)CCN(C(=O)C[C@H]1CC[NH+](C)C1)CC2 ZINC001495603203 1400112203 /nfs/dbraw/zinc/11/22/03/1400112203.db2.gz VMERSLVTBIDAIF-GOSISDBHSA-N 2 1 333.520 2.609 10 30 EFEEMP C=CCCC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@H]1CC[NH+](C)C1)CC2 ZINC001495603203 1400112211 /nfs/dbraw/zinc/11/22/11/1400112211.db2.gz VMERSLVTBIDAIF-GOSISDBHSA-N 2 1 333.520 2.609 10 30 EFEEMP C=CCCC[NH2+]C[C@H](C)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001495742928 1400217557 /nfs/dbraw/zinc/21/75/57/1400217557.db2.gz LDJNZCXWGQMJOG-MAUKXSAKSA-N 2 1 327.488 2.507 10 30 EFEEMP C=CCCC[NH2+]C[C@@H](C)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001495742927 1400217723 /nfs/dbraw/zinc/21/77/23/1400217723.db2.gz LDJNZCXWGQMJOG-CRAIPNDOSA-N 2 1 327.488 2.507 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCC1 ZINC001495919313 1400355530 /nfs/dbraw/zinc/35/55/30/1400355530.db2.gz RDVXDUBTWHVQML-SFHVURJKSA-N 2 1 345.531 2.539 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCC1 ZINC001495919313 1400355535 /nfs/dbraw/zinc/35/55/35/1400355535.db2.gz RDVXDUBTWHVQML-SFHVURJKSA-N 2 1 345.531 2.539 10 30 EFEEMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001496080263 1400458786 /nfs/dbraw/zinc/45/87/86/1400458786.db2.gz LPUFDVLZULBTSJ-ZBFHGGJFSA-N 2 1 327.900 2.582 10 30 EFEEMP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC001496319570 1400634986 /nfs/dbraw/zinc/63/49/86/1400634986.db2.gz AVZNAWOIUQAMED-WDSOQIARSA-N 2 1 335.536 2.948 10 30 EFEEMP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C1CCCCC1 ZINC001496320763 1400637012 /nfs/dbraw/zinc/63/70/12/1400637012.db2.gz QGSXLRAJQLZQMN-PMACEKPBSA-N 2 1 347.547 2.786 10 30 EFEEMP CC#CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001496504466 1400779683 /nfs/dbraw/zinc/77/96/83/1400779683.db2.gz HOWWRPQTFKGBAS-PMACEKPBSA-N 2 1 345.531 2.587 10 30 EFEEMP CC#CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001496504466 1400779688 /nfs/dbraw/zinc/77/96/88/1400779688.db2.gz HOWWRPQTFKGBAS-PMACEKPBSA-N 2 1 345.531 2.587 10 30 EFEEMP CC#CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001496504466 1400779693 /nfs/dbraw/zinc/77/96/93/1400779693.db2.gz HOWWRPQTFKGBAS-PMACEKPBSA-N 2 1 345.531 2.587 10 30 EFEEMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C(C)C ZINC001496573189 1400837836 /nfs/dbraw/zinc/83/78/36/1400837836.db2.gz AXUVILDSQXEHEB-CVEARBPZSA-N 2 1 329.916 2.590 10 30 EFEEMP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C(C)C ZINC001496597332 1400859095 /nfs/dbraw/zinc/85/90/95/1400859095.db2.gz KYSWVQXLCAFDOK-RBUKOAKNSA-N 2 1 333.520 2.537 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)N(CC[N@H+](C)CCC(C)C)C(C)C)CC1 ZINC001507861793 1407187707 /nfs/dbraw/zinc/18/77/07/1407187707.db2.gz HLYNOZRHNFPLBN-UHFFFAOYSA-N 2 1 335.536 2.547 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1C(C)C ZINC001498054694 1401833937 /nfs/dbraw/zinc/83/39/37/1401833937.db2.gz DLKNWNOSGXTNMN-PXNSSMCTSA-N 2 1 341.499 2.502 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1C(C)C ZINC001498054694 1401833939 /nfs/dbraw/zinc/83/39/39/1401833939.db2.gz DLKNWNOSGXTNMN-PXNSSMCTSA-N 2 1 341.499 2.502 10 30 EFEEMP CC#CC[NH2+]C[C@@H](NC(=O)[C@H](c1ccccc1)[N@H+](C)CC)C(C)(C)C ZINC001508029262 1407248519 /nfs/dbraw/zinc/24/85/19/1407248519.db2.gz DMAUUQOXHLSONM-MOPGFXCFSA-N 2 1 343.515 2.823 10 30 EFEEMP CCCCCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001499048995 1402444101 /nfs/dbraw/zinc/44/41/01/1402444101.db2.gz STIWKABUCAVTAE-QZTJIDSGSA-N 2 1 346.519 2.915 10 30 EFEEMP CCCCCCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001499048995 1402444107 /nfs/dbraw/zinc/44/41/07/1402444107.db2.gz STIWKABUCAVTAE-QZTJIDSGSA-N 2 1 346.519 2.915 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CCC=C)C1CCCCCC1 ZINC001499519472 1402657627 /nfs/dbraw/zinc/65/76/27/1402657627.db2.gz XILSIYZCLRFRNH-FQEVSTJZSA-N 2 1 345.531 2.801 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CCC=C)C1CCCCCC1 ZINC001499519472 1402657630 /nfs/dbraw/zinc/65/76/30/1402657630.db2.gz XILSIYZCLRFRNH-FQEVSTJZSA-N 2 1 345.531 2.801 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC=C)C1CCCCCC1 ZINC001499519472 1402657633 /nfs/dbraw/zinc/65/76/33/1402657633.db2.gz XILSIYZCLRFRNH-FQEVSTJZSA-N 2 1 345.531 2.801 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC=C)C1CCCCCC1 ZINC001499519472 1402657635 /nfs/dbraw/zinc/65/76/35/1402657635.db2.gz XILSIYZCLRFRNH-FQEVSTJZSA-N 2 1 345.531 2.801 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001499569420 1402688823 /nfs/dbraw/zinc/68/88/23/1402688823.db2.gz CFIHTYAWADKZFJ-PXNSSMCTSA-N 2 1 344.503 2.861 10 30 EFEEMP C=CCC[C@H](C)[N@H+]1CCC[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001499569420 1402688827 /nfs/dbraw/zinc/68/88/27/1402688827.db2.gz CFIHTYAWADKZFJ-PXNSSMCTSA-N 2 1 344.503 2.861 10 30 EFEEMP C=CCCC[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001499570766 1402690187 /nfs/dbraw/zinc/69/01/87/1402690187.db2.gz UXCYTYCTKFKWTO-FQEVSTJZSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001499570766 1402690195 /nfs/dbraw/zinc/69/01/95/1402690195.db2.gz UXCYTYCTKFKWTO-FQEVSTJZSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001499570766 1402690201 /nfs/dbraw/zinc/69/02/01/1402690201.db2.gz UXCYTYCTKFKWTO-FQEVSTJZSA-N 2 1 333.520 2.751 10 30 EFEEMP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001499573186 1402692491 /nfs/dbraw/zinc/69/24/91/1402692491.db2.gz BADTXINQBSPDPR-HXUWFJFHSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001499573186 1402692493 /nfs/dbraw/zinc/69/24/93/1402692493.db2.gz BADTXINQBSPDPR-HXUWFJFHSA-N 2 1 335.536 2.855 10 30 EFEEMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001499573186 1402692495 /nfs/dbraw/zinc/69/24/95/1402692495.db2.gz BADTXINQBSPDPR-HXUWFJFHSA-N 2 1 335.536 2.855 10 30 EFEEMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001499576585 1402695018 /nfs/dbraw/zinc/69/50/18/1402695018.db2.gz LRFXKFYRXSAIIZ-OAQYLSRUSA-N 2 1 345.531 2.590 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001499601904 1402710773 /nfs/dbraw/zinc/71/07/73/1402710773.db2.gz FVSADFZAIYPUQO-IEBWSBKVSA-N 2 1 339.499 2.557 10 30 EFEEMP C=CC[NH+]1CCC([C@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001508074736 1407281805 /nfs/dbraw/zinc/28/18/05/1407281805.db2.gz SOYJTAUHYJFYIN-CVEARBPZSA-N 2 1 332.492 2.799 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001499900901 1402845549 /nfs/dbraw/zinc/84/55/49/1402845549.db2.gz NZYSHJLATMQYIW-UXHICEINSA-N 2 1 345.531 2.635 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001499900901 1402845555 /nfs/dbraw/zinc/84/55/55/1402845555.db2.gz NZYSHJLATMQYIW-UXHICEINSA-N 2 1 345.531 2.635 10 30 EFEEMP C=C(C)CC[NH2+]C1CC(N(C)C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001508106765 1407299600 /nfs/dbraw/zinc/29/96/00/1407299600.db2.gz CTLOADHRHZIHBW-KLAILNCOSA-N 2 1 332.492 2.942 10 30 EFEEMP C=CCCC[NH+]1CCC(C)(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001500459184 1403136507 /nfs/dbraw/zinc/13/65/07/1403136507.db2.gz DGPYFALIGBOMKO-FQEVSTJZSA-N 2 1 333.520 2.657 10 30 EFEEMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001500512514 1403184959 /nfs/dbraw/zinc/18/49/59/1403184959.db2.gz ZGFSSGLDBPKPPO-IBGZPJMESA-N 2 1 335.536 2.903 10 30 EFEEMP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001501181508 1403479479 /nfs/dbraw/zinc/47/94/79/1403479479.db2.gz PJRQFQQMOWUFCU-UAFMIMERSA-N 2 1 345.531 2.539 10 30 EFEEMP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001501181506 1403479854 /nfs/dbraw/zinc/47/98/54/1403479854.db2.gz PJRQFQQMOWUFCU-LWYYNNOASA-N 2 1 345.531 2.539 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@H]2C1 ZINC001501221809 1403498894 /nfs/dbraw/zinc/49/88/94/1403498894.db2.gz LPVPGGIFZNGEND-AKHDSKFASA-N 2 1 333.520 2.606 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@H]2C1 ZINC001501221809 1403498895 /nfs/dbraw/zinc/49/88/95/1403498895.db2.gz LPVPGGIFZNGEND-AKHDSKFASA-N 2 1 333.520 2.606 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@H]2C1 ZINC001501221809 1403498896 /nfs/dbraw/zinc/49/88/96/1403498896.db2.gz LPVPGGIFZNGEND-AKHDSKFASA-N 2 1 333.520 2.606 10 30 EFEEMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C1 ZINC001501223783 1403500183 /nfs/dbraw/zinc/50/01/83/1403500183.db2.gz QSEGPEHYRIYVHZ-GBESFXJTSA-N 2 1 345.531 2.607 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C1 ZINC001501223784 1403500767 /nfs/dbraw/zinc/50/07/67/1403500767.db2.gz QSEGPEHYRIYVHZ-QRVBRYPASA-N 2 1 345.531 2.607 10 30 EFEEMP C=C(C)C[NH+]1CCC2(CN(C(=O)C[N@@H+](C)Cc3ccccc3)C2)CC1 ZINC001501749597 1403764355 /nfs/dbraw/zinc/76/43/55/1403764355.db2.gz YITPADXEKCQLIK-UHFFFAOYSA-N 2 1 341.499 2.619 10 30 EFEEMP C=C(C)C[NH+]1CCC2(CN(C(=O)C[N@H+](C)Cc3ccccc3)C2)CC1 ZINC001501749597 1403764360 /nfs/dbraw/zinc/76/43/60/1403764360.db2.gz YITPADXEKCQLIK-UHFFFAOYSA-N 2 1 341.499 2.619 10 30 EFEEMP 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GDQQTZUQNNNSJB-CRAIPNDOSA-N 2 1 348.491 2.533 10 30 EFEEMP C=C(C)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001565882546 1415443329 /nfs/dbraw/zinc/44/33/29/1415443329.db2.gz BWQFGUHVIPEHDH-VQTJNVASSA-N 2 1 341.499 2.631 10 30 EFEEMP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001565882546 1415443332 /nfs/dbraw/zinc/44/33/32/1415443332.db2.gz BWQFGUHVIPEHDH-VQTJNVASSA-N 2 1 341.499 2.631 10 30 EFEEMP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001565882546 1415443337 /nfs/dbraw/zinc/44/33/37/1415443337.db2.gz BWQFGUHVIPEHDH-VQTJNVASSA-N 2 1 341.499 2.631 10 30 EFEEMP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001565973178 1415467258 /nfs/dbraw/zinc/46/72/58/1415467258.db2.gz UMHZFTLWPJXPJL-GJYPPUQNSA-N 2 1 339.499 2.602 10 30 EFEEMP C#CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001565986740 1415470681 /nfs/dbraw/zinc/47/06/81/1415470681.db2.gz MGLRCCARYZMDQN-RTBURBONSA-N 2 1 349.563 2.985 10 30 EFEEMP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1C ZINC001565987980 1415471698 /nfs/dbraw/zinc/47/16/98/1415471698.db2.gz MUPZFGMBZKQDPB-SJLPKXTDSA-N 2 1 332.492 2.765 10 30 EFEEMP C#CC[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[N@H+](C)CCCCCC ZINC001565995009 1415475206 /nfs/dbraw/zinc/47/52/06/1415475206.db2.gz NCWHZJPRKJLUBD-YZGWKJHDSA-N 2 1 347.547 2.737 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+](C)CCCCCC ZINC001565995009 1415475207 /nfs/dbraw/zinc/47/52/07/1415475207.db2.gz NCWHZJPRKJLUBD-YZGWKJHDSA-N 2 1 347.547 2.737 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+](C)CCCCCC ZINC001565995009 1415475208 /nfs/dbraw/zinc/47/52/08/1415475208.db2.gz NCWHZJPRKJLUBD-YZGWKJHDSA-N 2 1 347.547 2.737 10 30 EFEEMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@@H]2C1 ZINC001566054480 1415494764 /nfs/dbraw/zinc/49/47/64/1415494764.db2.gz CAVUCETYRRGUBB-CEXWTWQISA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@H]2C1 ZINC001566054480 1415494765 /nfs/dbraw/zinc/49/47/65/1415494765.db2.gz CAVUCETYRRGUBB-CEXWTWQISA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@H]2C1 ZINC001566054480 1415494766 /nfs/dbraw/zinc/49/47/66/1415494766.db2.gz CAVUCETYRRGUBB-CEXWTWQISA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCC[C@@H](C)[NH2+][C@H]1CCCCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001566072364 1415503677 /nfs/dbraw/zinc/50/36/77/1415503677.db2.gz XZLHOFGOCBTDBR-AEFFLSMTSA-N 2 1 332.492 2.907 10 30 EFEEMP C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001566123124 1415521852 /nfs/dbraw/zinc/52/18/52/1415521852.db2.gz DSJOEDQRGVXVNN-IBGZPJMESA-N 2 1 335.536 2.996 10 30 EFEEMP C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001566123632 1415522122 /nfs/dbraw/zinc/52/21/22/1415522122.db2.gz SUOKMNUHZOIESI-FQEVSTJZSA-N 2 1 341.499 2.698 10 30 EFEEMP C#CC[N@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC(C)(C)C1 ZINC001566130078 1415527967 /nfs/dbraw/zinc/52/79/67/1415527967.db2.gz OJVMDEQBSMWKLU-DLBZAZTESA-N 2 1 344.503 2.637 10 30 EFEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC(C)(C)C1 ZINC001566130078 1415527968 /nfs/dbraw/zinc/52/79/68/1415527968.db2.gz OJVMDEQBSMWKLU-DLBZAZTESA-N 2 1 344.503 2.637 10 30 EFEEMP C#CC[N@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC(C)(C)C1 ZINC001566130081 1415528266 /nfs/dbraw/zinc/52/82/66/1415528266.db2.gz OJVMDEQBSMWKLU-SJORKVTESA-N 2 1 344.503 2.637 10 30 EFEEMP C#CC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC(C)(C)C1 ZINC001566130081 1415528270 /nfs/dbraw/zinc/52/82/70/1415528270.db2.gz OJVMDEQBSMWKLU-SJORKVTESA-N 2 1 344.503 2.637 10 30 EFEEMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC(C)(C)C1 ZINC001566132463 1415530010 /nfs/dbraw/zinc/53/00/10/1415530010.db2.gz ZUGVPYOPYBTYBU-MOPGFXCFSA-N 2 1 341.499 2.529 10 30 EFEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC(C)(C)C1 ZINC001566132463 1415530016 /nfs/dbraw/zinc/53/00/16/1415530016.db2.gz ZUGVPYOPYBTYBU-MOPGFXCFSA-N 2 1 341.499 2.529 10 30 EFEEMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC(C)(C)C1 ZINC001566132464 1415530362 /nfs/dbraw/zinc/53/03/62/1415530362.db2.gz ZUGVPYOPYBTYBU-OALUTQOASA-N 2 1 341.499 2.529 10 30 EFEEMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC(C)(C)C1 ZINC001566132464 1415530366 /nfs/dbraw/zinc/53/03/66/1415530366.db2.gz ZUGVPYOPYBTYBU-OALUTQOASA-N 2 1 341.499 2.529 10 30 EFEEMP C=CCCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001566530125 1415617698 /nfs/dbraw/zinc/61/76/98/1415617698.db2.gz ZWHXIGZNAZDICD-MAUKXSAKSA-N 2 1 348.491 2.675 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001566625904 1415702503 /nfs/dbraw/zinc/70/25/03/1415702503.db2.gz TXQSFLODMQGGEO-MJGOQNOKSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001566625904 1415702504 /nfs/dbraw/zinc/70/25/04/1415702504.db2.gz TXQSFLODMQGGEO-MJGOQNOKSA-N 2 1 333.520 2.940 10 30 EFEEMP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001566625904 1415702505 /nfs/dbraw/zinc/70/25/05/1415702505.db2.gz TXQSFLODMQGGEO-MJGOQNOKSA-N 2 1 333.520 2.940 10 30 EFEEMP CCCCCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001566694233 1415735235 /nfs/dbraw/zinc/73/52/35/1415735235.db2.gz CEOHUDKAQSCHMT-ZWKOTPCHSA-N 2 1 335.536 2.879 10 30 EFEEMP C=CC[NH+]1CCC(N(CCC)C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001566697704 1415737662 /nfs/dbraw/zinc/73/76/62/1415737662.db2.gz KJIGNROENZKFKL-PKOBYXMFSA-N 2 1 333.520 2.892 10 30 EFEEMP CC#CC[NH+]1CCC(N(CCC)C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001566699788 1415738463 /nfs/dbraw/zinc/73/84/63/1415738463.db2.gz QJLYNDMWWUMCSQ-UHFFFAOYSA-N 2 1 344.503 2.698 10 30 EFEEMP CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001566803572 1415780235 /nfs/dbraw/zinc/78/02/35/1415780235.db2.gz FKZMNRBEQPZRRE-KZNAEPCWSA-N 2 1 346.519 2.961 10 30 EFEEMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001566859458 1415801637 /nfs/dbraw/zinc/80/16/37/1415801637.db2.gz CVTAKLYJNTWFIB-CEXWTWQISA-N 2 1 329.488 2.882 10 30 EFEEMP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001566878474 1415819488 /nfs/dbraw/zinc/81/94/88/1415819488.db2.gz QVPHKXQLYKVDFC-LPHOPBHVSA-N 2 1 339.499 2.603 10 30 EFEEMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001566878474 1415819490 /nfs/dbraw/zinc/81/94/90/1415819490.db2.gz QVPHKXQLYKVDFC-LPHOPBHVSA-N 2 1 339.499 2.603 10 30 EFEEMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001566878474 1415819492 /nfs/dbraw/zinc/81/94/92/1415819492.db2.gz QVPHKXQLYKVDFC-LPHOPBHVSA-N 2 1 339.499 2.603 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001566906379 1415836324 /nfs/dbraw/zinc/83/63/24/1415836324.db2.gz KTBOUIDFTTWDGY-QGZVFWFLSA-N 2 1 332.492 2.801 10 30 EFEEMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001566923119 1415847967 /nfs/dbraw/zinc/84/79/67/1415847967.db2.gz LSTFLYMHCNGBBH-SFHVURJKSA-N 2 1 333.520 2.633 10 30 EFEEMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001566923119 1415847972 /nfs/dbraw/zinc/84/79/72/1415847972.db2.gz LSTFLYMHCNGBBH-SFHVURJKSA-N 2 1 333.520 2.633 10 30 EFEEMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001566923119 1415847975 /nfs/dbraw/zinc/84/79/75/1415847975.db2.gz LSTFLYMHCNGBBH-SFHVURJKSA-N 2 1 333.520 2.633 10 30 EFEEMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001566929903 1415853288 /nfs/dbraw/zinc/85/32/88/1415853288.db2.gz LQYPBGNFLZUPPB-OALUTQOASA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001566929903 1415853290 /nfs/dbraw/zinc/85/32/90/1415853290.db2.gz LQYPBGNFLZUPPB-OALUTQOASA-N 2 1 329.488 2.836 10 30 EFEEMP C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001567193616 1415986294 /nfs/dbraw/zinc/98/62/94/1415986294.db2.gz XTCXAUNWXJJJQM-SFHVURJKSA-N 2 1 333.520 2.751 10 30 EFEEMP C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001567386213 1416107133 /nfs/dbraw/zinc/10/71/33/1416107133.db2.gz CNZRBLGTMJXOFP-LJQANCHMSA-N 2 1 329.488 2.909 10 30 EFEEMP CC#CC[NH2+][C@H](C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001567625401 1416214785 /nfs/dbraw/zinc/21/47/85/1416214785.db2.gz ULQVXDJAKCVSNY-DLBZAZTESA-N 2 1 344.503 2.637 10 30 EFEEMP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001567630008 1416217007 /nfs/dbraw/zinc/21/70/07/1416217007.db2.gz JFUIMKUDNLFOCF-MAUKXSAKSA-N 2 1 344.503 2.547 10 30 EFEEMP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001567664440 1416237008 /nfs/dbraw/zinc/23/70/08/1416237008.db2.gz XRRSCETZBFKTGX-YTQUADARSA-N 2 1 329.488 2.740 10 30 EFEEMP C=CC[NH2+][C@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC001567666283 1416238545 /nfs/dbraw/zinc/23/85/45/1416238545.db2.gz WUMOEXRQGUERBS-WOJBJXKFSA-N 2 1 337.467 2.922 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001567703517 1416255541 /nfs/dbraw/zinc/25/55/41/1416255541.db2.gz VKZZHTZWGMRURX-OALUTQOASA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001567703517 1416255544 /nfs/dbraw/zinc/25/55/44/1416255544.db2.gz VKZZHTZWGMRURX-OALUTQOASA-N 2 1 335.536 2.901 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001567703517 1416255547 /nfs/dbraw/zinc/25/55/47/1416255547.db2.gz VKZZHTZWGMRURX-OALUTQOASA-N 2 1 335.536 2.901 10 30 EFEEMP C#CCC[N@@H+](C)CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001567746315 1416269538 /nfs/dbraw/zinc/26/95/38/1416269538.db2.gz CAHYWGDDYXFSQR-QGZVFWFLSA-N 2 1 344.503 2.590 10 30 EFEEMP C#CCC[N@H+](C)CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001567746315 1416269542 /nfs/dbraw/zinc/26/95/42/1416269542.db2.gz CAHYWGDDYXFSQR-QGZVFWFLSA-N 2 1 344.503 2.590 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](C)CC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001567752252 1416273528 /nfs/dbraw/zinc/27/35/28/1416273528.db2.gz LCXNQWGWMLKOQL-HKUYNNGSSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[C@H](C)[NH+](C)CC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001567752252 1416273531 /nfs/dbraw/zinc/27/35/31/1416273531.db2.gz LCXNQWGWMLKOQL-HKUYNNGSSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[C@H](C)[NH+](C)CC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001567752252 1416273534 /nfs/dbraw/zinc/27/35/34/1416273534.db2.gz LCXNQWGWMLKOQL-HKUYNNGSSA-N 2 1 335.536 2.853 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001567793748 1416284831 /nfs/dbraw/zinc/28/48/31/1416284831.db2.gz KFSKRTJPWUJRMC-SJORKVTESA-N 2 1 333.520 2.796 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCCC1 ZINC001567866268 1416304265 /nfs/dbraw/zinc/30/42/65/1416304265.db2.gz JXQMNUWAGFAVKP-QYZOEREBSA-N 2 1 333.520 2.892 10 30 EFEEMP C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001568067765 1416391278 /nfs/dbraw/zinc/39/12/78/1416391278.db2.gz ILBFEOJJIRYZHB-VQIMIIECSA-N 2 1 339.499 2.603 10 30 EFEEMP CC#CC[NH+]1CCC(CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001568132358 1416421910 /nfs/dbraw/zinc/42/19/10/1416421910.db2.gz ZCJVRGWDOQIGBP-FQEVSTJZSA-N 2 1 341.499 2.531 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001568300233 1416469949 /nfs/dbraw/zinc/46/99/49/1416469949.db2.gz NCXNWWZSLLLCCC-MAUKXSAKSA-N 2 1 327.488 2.602 10 30 EFEEMP C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001568336218 1416481035 /nfs/dbraw/zinc/48/10/35/1416481035.db2.gz OTVDRLTXISTCJQ-QFBILLFUSA-N 2 1 341.515 2.896 10 30 EFEEMP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C1CCCCC1 ZINC001568344962 1416485084 /nfs/dbraw/zinc/48/50/84/1416485084.db2.gz AGKATKOXKIHRCJ-WOJBJXKFSA-N 2 1 347.547 2.786 10 30 EFEEMP C=CCC[C@H](C)[N@H+](C)CCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001689840862 1417085182 /nfs/dbraw/zinc/08/51/82/1417085182.db2.gz PEXXRFJIAQYTNJ-DOTOQJQBSA-N 2 1 332.492 2.547 10 30 EFEEMP C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001689840862 1417085183 /nfs/dbraw/zinc/08/51/83/1417085183.db2.gz PEXXRFJIAQYTNJ-DOTOQJQBSA-N 2 1 332.492 2.547 10 30 EFEEMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](CC)CC2=CCCCC2)CC1 ZINC001689970505 1417112667 /nfs/dbraw/zinc/11/26/67/1417112667.db2.gz RHZYHXIQWBOGHO-UHFFFAOYSA-N 2 1 345.531 2.660 10 30 EFEEMP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001690126535 1417159827 /nfs/dbraw/zinc/15/98/27/1417159827.db2.gz QOMPUWOKWCTALF-OKZBNKHCSA-N 2 1 333.520 2.654 10 30 EFEEMP C=CCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001690130795 1417161416 /nfs/dbraw/zinc/16/14/16/1417161416.db2.gz JKMMEKRQGKNZPS-SFHVURJKSA-N 2 1 344.503 2.909 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCC2CCC2)CC1 ZINC001698709781 1417316355 /nfs/dbraw/zinc/31/63/55/1417316355.db2.gz MIZBGBNTKYOIPT-UFYCRDLUSA-N 2 1 345.531 2.681 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCC2CCC2)CC1 ZINC001698709781 1417316358 /nfs/dbraw/zinc/31/63/58/1417316358.db2.gz MIZBGBNTKYOIPT-UFYCRDLUSA-N 2 1 345.531 2.681 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001698804312 1417338129 /nfs/dbraw/zinc/33/81/29/1417338129.db2.gz NOPUMSRGPHHWIA-RCCFBDPRSA-N 2 1 333.520 2.606 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@H]21 ZINC001699008395 1417366553 /nfs/dbraw/zinc/36/65/53/1417366553.db2.gz IUBOGVXFAOFGHV-QZTJIDSGSA-N 2 1 331.504 2.504 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CCCn3cc[nH+]c3C)CC[C@H]21 ZINC001699022302 1417373272 /nfs/dbraw/zinc/37/32/72/1417373272.db2.gz RPAVBPRXXGAVPQ-RBUKOAKNSA-N 2 1 344.503 2.861 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)CCCn3cc[nH+]c3C)CC[C@H]21 ZINC001699022302 1417373278 /nfs/dbraw/zinc/37/32/78/1417373278.db2.gz RPAVBPRXXGAVPQ-RBUKOAKNSA-N 2 1 344.503 2.861 10 30 EFEEMP CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001699021426 1417373402 /nfs/dbraw/zinc/37/34/02/1417373402.db2.gz JSOWMGQNQKRYPL-AEFFLSMTSA-N 2 1 333.520 2.537 10 30 EFEEMP C=CCCC[NH+]1CCC2(CCN(C(=O)CC[N@H+](C)CCC)C2)CC1 ZINC001699700316 1417458040 /nfs/dbraw/zinc/45/80/40/1417458040.db2.gz PDPFMKAWVZYUMS-UHFFFAOYSA-N 2 1 335.536 2.999 10 30 EFEEMP C#CCN(C(=O)C[N@H+](C)CCC)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001699786843 1417469152 /nfs/dbraw/zinc/46/91/52/1417469152.db2.gz GANLFUZNZSPUTQ-UHFFFAOYSA-N 2 1 347.547 2.691 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCC[NH+](C)C)C2 ZINC001699804655 1417471521 /nfs/dbraw/zinc/47/15/21/1417471521.db2.gz CEFZBXJDCCCHDS-HXUWFJFHSA-N 2 1 335.536 2.999 10 30 EFEEMP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001699864801 1417483882 /nfs/dbraw/zinc/48/38/82/1417483882.db2.gz FCDLSYZDOQPFNG-GOSISDBHSA-N 2 1 335.536 2.903 10 30 EFEEMP CC#CC[NH+]1CCC(C)(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001699867055 1417485304 /nfs/dbraw/zinc/48/53/04/1417485304.db2.gz QQFWBDIOIBQYPF-IBGZPJMESA-N 2 1 341.499 2.531 10 30 EFEEMP C=CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001699866452 1417485413 /nfs/dbraw/zinc/48/54/13/1417485413.db2.gz ZZMPPRCFCLAUMY-ROUUACIJSA-N 2 1 333.520 2.798 10 30 EFEEMP C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001699876412 1417492520 /nfs/dbraw/zinc/49/25/20/1417492520.db2.gz GGTJGWMKDADAMX-KRWDZBQOSA-N 2 1 329.916 2.689 10 30 EFEEMP C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001699876412 1417492522 /nfs/dbraw/zinc/49/25/22/1417492522.db2.gz GGTJGWMKDADAMX-KRWDZBQOSA-N 2 1 329.916 2.689 10 30 EFEEMP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+](CCC)CCC)[C@@H]2C1 ZINC001700020541 1417541901 /nfs/dbraw/zinc/54/19/01/1417541901.db2.gz ZBHHALIDHPNFDH-VQTJNVASSA-N 2 1 347.547 2.835 10 30 EFEEMP CC#CC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001700091816 1417563258 /nfs/dbraw/zinc/56/32/58/1417563258.db2.gz PGVMAELLVVBGMA-HXUWFJFHSA-N 2 1 341.499 2.632 10 30 EFEEMP CC#CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001700091816 1417563263 /nfs/dbraw/zinc/56/32/63/1417563263.db2.gz PGVMAELLVVBGMA-HXUWFJFHSA-N 2 1 341.499 2.632 10 30 EFEEMP CC#CC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001700091816 1417563267 /nfs/dbraw/zinc/56/32/67/1417563267.db2.gz PGVMAELLVVBGMA-HXUWFJFHSA-N 2 1 341.499 2.632 10 30 EFEEMP CC#CC[N@@H+]1CC[C@]2(NC(=O)C[C@@H](C)n3cc[nH+]c3CC)CCC[C@H]12 ZINC001700864192 1417666454 /nfs/dbraw/zinc/66/64/54/1417666454.db2.gz DOZXXEAXEQRIER-FUHIMQAGSA-N 2 1 342.487 2.533 10 30 EFEEMP CC#CC[N@H+]1CC[C@]2(NC(=O)C[C@@H](C)n3cc[nH+]c3CC)CCC[C@H]12 ZINC001700864192 1417666455 /nfs/dbraw/zinc/66/64/55/1417666455.db2.gz DOZXXEAXEQRIER-FUHIMQAGSA-N 2 1 342.487 2.533 10 30 EFEEMP C=CC[N@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CCCCC3)CCC[C@H]12 ZINC001700863993 1417666555 /nfs/dbraw/zinc/66/65/55/1417666555.db2.gz CLIQXYDLGVZGSZ-PXNSSMCTSA-N 2 1 333.520 2.798 10 30 EFEEMP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+](C)Cc3ccccc3)C[C@@H]21 ZINC001700873469 1417669316 /nfs/dbraw/zinc/66/93/16/1417669316.db2.gz MOEUNXVZIGYVSW-SLFFLAALSA-N 2 1 341.499 2.521 10 30 EFEEMP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)Cc3ccccc3)C[C@@H]21 ZINC001700873469 1417669320 /nfs/dbraw/zinc/66/93/20/1417669320.db2.gz MOEUNXVZIGYVSW-SLFFLAALSA-N 2 1 341.499 2.521 10 30 EFEEMP C=C(C)CC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)[C@@H]21 ZINC001707189545 1418228551 /nfs/dbraw/zinc/22/85/51/1418228551.db2.gz ULFHWNTVFQTSSW-BHIYHBOVSA-N 2 1 335.536 2.898 10 30 EFEEMP C=C(C)CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)[C@@H]21 ZINC001707189545 1418228561 /nfs/dbraw/zinc/22/85/61/1418228561.db2.gz ULFHWNTVFQTSSW-BHIYHBOVSA-N 2 1 335.536 2.898 10 30 EFEEMP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)[C@@H]21 ZINC001707189545 1418228565 /nfs/dbraw/zinc/22/85/65/1418228565.db2.gz ULFHWNTVFQTSSW-BHIYHBOVSA-N 2 1 335.536 2.898 10 30 EFEEMP 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ZINC001716735413 1418984279 /nfs/dbraw/zinc/98/42/79/1418984279.db2.gz POJWRVGJLMVKJO-FQEVSTJZSA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001716787641 1419008322 /nfs/dbraw/zinc/00/83/22/1419008322.db2.gz GBNKUIRTJHPIJP-OALUTQOASA-N 2 1 329.488 2.836 10 30 EFEEMP CC#CC[NH2+]C[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C1CCCC1 ZINC001716824910 1419033573 /nfs/dbraw/zinc/03/35/73/1419033573.db2.gz MZGOMCHFRHJYMK-PMACEKPBSA-N 2 1 341.499 2.577 10 30 EFEEMP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001716869697 1419065875 /nfs/dbraw/zinc/06/58/75/1419065875.db2.gz WBOUXVIETVXRPS-AZUAARDMSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001716911906 1419093520 /nfs/dbraw/zinc/09/35/20/1419093520.db2.gz DEFDPTJFGOMCBX-MRXNPFEDSA-N 2 1 343.462 2.512 10 30 EFEEMP C=CCC[C@@H](C)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001717009956 1419145943 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EFEEMP C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001717373427 1419365407 /nfs/dbraw/zinc/36/54/07/1419365407.db2.gz MIRGDRBXDDMBPR-LJQANCHMSA-N 2 1 335.536 2.996 10 30 EFEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001717375594 1419367617 /nfs/dbraw/zinc/36/76/17/1419367617.db2.gz YXWUYZMGAYMYPQ-FQEVSTJZSA-N 2 1 347.547 2.997 10 30 EFEEMP C=CCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001717376916 1419368629 /nfs/dbraw/zinc/36/86/29/1419368629.db2.gz ARHRDCYHPJZKAE-HXUWFJFHSA-N 2 1 347.547 2.999 10 30 EFEEMP CCC[N@@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001717435749 1419393795 /nfs/dbraw/zinc/39/37/95/1419393795.db2.gz VCBSHYQNFWDOGW-HZPDHXFCSA-N 2 1 349.906 2.516 10 30 EFEEMP C#CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCCCC1 ZINC001717523540 1419426694 /nfs/dbraw/zinc/42/66/94/1419426694.db2.gz UVXPEQXHOIYUOG-GOSISDBHSA-N 2 1 345.531 2.683 10 30 EFEEMP C=CCCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC001717588113 1419459008 /nfs/dbraw/zinc/45/90/08/1419459008.db2.gz TXEIPNIDOCSZSM-LJQANCHMSA-N 2 1 347.547 2.901 10 30 EFEEMP C=CCC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001717647890 1419486578 /nfs/dbraw/zinc/48/65/78/1419486578.db2.gz IIDHPQHKQIRKDR-OWLYRPNTSA-N 2 1 344.503 2.593 10 30 EFEEMP C#CCN1CCC[C@H]1C(=O)N1CCC([N@H+](C)C[C@H](C)CC(C)C)CC1 ZINC001717701953 1419515501 /nfs/dbraw/zinc/51/55/01/1419515501.db2.gz OZFDRPYZTGORJV-QUCCMNQESA-N 2 1 347.547 2.689 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)C[C@H](C)CC(C)C)CC1 ZINC001717701953 1419515503 /nfs/dbraw/zinc/51/55/03/1419515503.db2.gz OZFDRPYZTGORJV-QUCCMNQESA-N 2 1 347.547 2.689 10 30 EFEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)C[C@H](C)CC(C)C)CC1 ZINC001717701953 1419515506 /nfs/dbraw/zinc/51/55/06/1419515506.db2.gz OZFDRPYZTGORJV-QUCCMNQESA-N 2 1 347.547 2.689 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)C[C@H](C)CC(C)C)CC1 ZINC001717701953 1419515507 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CRKUSINXNVOOPM-VQTJNVASSA-N 2 1 345.531 2.633 10 30 EFEEMP C=CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001717829593 1419560907 /nfs/dbraw/zinc/56/09/07/1419560907.db2.gz HZPTXHUJXCGBNA-HKUYNNGSSA-N 2 1 329.488 2.664 10 30 EFEEMP C=CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001717829593 1419560908 /nfs/dbraw/zinc/56/09/08/1419560908.db2.gz HZPTXHUJXCGBNA-HKUYNNGSSA-N 2 1 329.488 2.664 10 30 EFEEMP C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC001717861093 1419589243 /nfs/dbraw/zinc/58/92/43/1419589243.db2.gz SZHPDEQHNTZLRP-ROUUACIJSA-N 2 1 333.520 2.798 10 30 EFEEMP CC#CC[N@@H+](C)CCN(C(=O)CC[NH+](C)C1CCCCC1)C(C)C ZINC001717949049 1419624148 /nfs/dbraw/zinc/62/41/48/1419624148.db2.gz KEHIABXOYYVDJQ-UHFFFAOYSA-N 2 1 335.536 2.833 10 30 EFEEMP CC#CC[NH+](C)CCN(C(=O)CC[N@H+](C)C1CCCCC1)C(C)C ZINC001717949049 1419624150 /nfs/dbraw/zinc/62/41/50/1419624150.db2.gz KEHIABXOYYVDJQ-UHFFFAOYSA-N 2 1 335.536 2.833 10 30 EFEEMP CC#CC[NH+](C)CCN(C(=O)CC[N@@H+](C)C1CCCCC1)C(C)C ZINC001717949049 1419624155 /nfs/dbraw/zinc/62/41/55/1419624155.db2.gz KEHIABXOYYVDJQ-UHFFFAOYSA-N 2 1 335.536 2.833 10 30 EFEEMP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(C)(C)C ZINC001717958790 1419629295 /nfs/dbraw/zinc/62/92/95/1419629295.db2.gz ILYCAUBPRSJUHX-HKUYNNGSSA-N 2 1 347.547 2.785 10 30 EFEEMP C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001718022753 1419661975 /nfs/dbraw/zinc/66/19/75/1419661975.db2.gz HGXRELGOLIEMBF-QGZVFWFLSA-N 2 1 331.504 2.718 10 30 EFEEMP C#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001722945686 1424379414 /nfs/dbraw/zinc/37/94/14/1424379414.db2.gz QQSPRXCORGABBP-IEBWSBKVSA-N 2 1 333.520 2.539 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@H](C)c1ccccc1C ZINC001723044535 1424410504 /nfs/dbraw/zinc/41/05/04/1424410504.db2.gz ZGZPMOLMUJRERK-QUCCMNQESA-N 2 1 341.499 2.592 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@H](C)c1ccccc1C ZINC001723044535 1424410508 /nfs/dbraw/zinc/41/05/08/1424410508.db2.gz ZGZPMOLMUJRERK-QUCCMNQESA-N 2 1 341.499 2.592 10 30 EFEEMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001723515081 1424516222 /nfs/dbraw/zinc/51/62/22/1424516222.db2.gz PEXKBRZKYFDAAR-KRWDZBQOSA-N 2 1 333.520 2.846 10 30 EFEEMP C=C(C)CC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001723610111 1424535987 /nfs/dbraw/zinc/53/59/87/1424535987.db2.gz YZDNDEWWEIGKGH-RBUKOAKNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001723610111 1424535995 /nfs/dbraw/zinc/53/59/95/1424535995.db2.gz YZDNDEWWEIGKGH-RBUKOAKNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001723610111 1424536001 /nfs/dbraw/zinc/53/60/01/1424536001.db2.gz YZDNDEWWEIGKGH-RBUKOAKNSA-N 2 1 335.536 2.997 10 30 EFEEMP C=CC[N@@H+](CCNC(=O)[C@@]12CC[NH+](C1)CCC2)C1CCCCCC1 ZINC001723640879 1424544522 /nfs/dbraw/zinc/54/45/22/1424544522.db2.gz UKYQQUCDYMGCNZ-FQEVSTJZSA-N 2 1 333.520 2.799 10 30 EFEEMP C=CC[NH+](CCNC(=O)[C@@]12CC[N@H+](C1)CCC2)C1CCCCCC1 ZINC001723640879 1424544527 /nfs/dbraw/zinc/54/45/27/1424544527.db2.gz UKYQQUCDYMGCNZ-FQEVSTJZSA-N 2 1 333.520 2.799 10 30 EFEEMP C=CC[NH+](CCNC(=O)[C@@]12CC[N@@H+](C1)CCC2)C1CCCCCC1 ZINC001723640879 1424544530 /nfs/dbraw/zinc/54/45/30/1424544530.db2.gz UKYQQUCDYMGCNZ-FQEVSTJZSA-N 2 1 333.520 2.799 10 30 EFEEMP C=CCC[N@@H+](CC1CC1)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001723649767 1424547957 /nfs/dbraw/zinc/54/79/57/1424547957.db2.gz WRUJHNJLCAHMBY-UHFFFAOYSA-N 2 1 333.520 2.607 10 30 EFEEMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001723678232 1424553173 /nfs/dbraw/zinc/55/31/73/1424553173.db2.gz DJMQTHBZPMDDBG-HXUWFJFHSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)CN(C)Cc3ccccc3)C2)C1 ZINC001723691050 1424557306 /nfs/dbraw/zinc/55/73/06/1424557306.db2.gz MEYVOKYIASHSTM-NRFANRHFSA-N 2 1 341.499 2.619 10 30 EFEEMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+](C)Cc3ccccc3)C2)C1 ZINC001723691050 1424557310 /nfs/dbraw/zinc/55/73/10/1424557310.db2.gz MEYVOKYIASHSTM-NRFANRHFSA-N 2 1 341.499 2.619 10 30 EFEEMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+](C)Cc3ccccc3)C2)C1 ZINC001723691050 1424557315 /nfs/dbraw/zinc/55/73/15/1424557315.db2.gz MEYVOKYIASHSTM-NRFANRHFSA-N 2 1 341.499 2.619 10 30 EFEEMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)Cc3ccccc3)C2)C1 ZINC001723691050 1424557320 /nfs/dbraw/zinc/55/73/20/1424557320.db2.gz MEYVOKYIASHSTM-NRFANRHFSA-N 2 1 341.499 2.619 10 30 EFEEMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)Cc3ccccc3)C2)C1 ZINC001723691050 1424557325 /nfs/dbraw/zinc/55/73/25/1424557325.db2.gz MEYVOKYIASHSTM-NRFANRHFSA-N 2 1 341.499 2.619 10 30 EFEEMP C=CCCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001723719692 1424568738 /nfs/dbraw/zinc/56/87/38/1424568738.db2.gz SUBZXISPICFBFF-AZUAARDMSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001723719692 1424568743 /nfs/dbraw/zinc/56/87/43/1424568743.db2.gz SUBZXISPICFBFF-AZUAARDMSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001723719692 1424568747 /nfs/dbraw/zinc/56/87/47/1424568747.db2.gz SUBZXISPICFBFF-AZUAARDMSA-N 2 1 333.520 2.750 10 30 EFEEMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+](C)Cc3ccccc3)C2)C1 ZINC001723727110 1424570864 /nfs/dbraw/zinc/57/08/64/1424570864.db2.gz ONODHBPCVKHFGQ-OAQYLSRUSA-N 2 1 341.499 2.619 10 30 EFEEMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+](C)Cc3ccccc3)C2)C1 ZINC001723727110 1424570869 /nfs/dbraw/zinc/57/08/69/1424570869.db2.gz ONODHBPCVKHFGQ-OAQYLSRUSA-N 2 1 341.499 2.619 10 30 EFEEMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)Cc3ccccc3)C2)C1 ZINC001723727110 1424570873 /nfs/dbraw/zinc/57/08/73/1424570873.db2.gz ONODHBPCVKHFGQ-OAQYLSRUSA-N 2 1 341.499 2.619 10 30 EFEEMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)Cc3ccccc3)C2)C1 ZINC001723727110 1424570878 /nfs/dbraw/zinc/57/08/78/1424570878.db2.gz ONODHBPCVKHFGQ-OAQYLSRUSA-N 2 1 341.499 2.619 10 30 EFEEMP C=C(C)CC[NH+]1CCC(C)(NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001724016837 1424625193 /nfs/dbraw/zinc/62/51/93/1424625193.db2.gz SACBEZVAWOJUOF-UHFFFAOYSA-N 2 1 332.492 2.909 10 30 EFEEMP C#CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C1CC[NH+](CC(C)C)CC1 ZINC001724047001 1424634960 /nfs/dbraw/zinc/63/49/60/1424634960.db2.gz IWRZGQIBMDEUIK-QUCCMNQESA-N 2 1 345.531 2.586 10 30 EFEEMP C#CCN(C(=O)CC[N@H+](C)CC)C1CC[NH+](CCC2CCCC2)CC1 ZINC001724061706 1424643367 /nfs/dbraw/zinc/64/33/67/1424643367.db2.gz XWADLUMAHOBPOQ-UHFFFAOYSA-N 2 1 347.547 2.835 10 30 EFEEMP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1ccc2ccccc2c1 ZINC001724070376 1424644120 /nfs/dbraw/zinc/64/41/20/1424644120.db2.gz FXIRYVQYGOXRLX-SFTDATJTSA-N 2 1 349.478 2.704 10 30 EFEEMP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001724273040 1424719886 /nfs/dbraw/zinc/71/98/86/1424719886.db2.gz MQBRMBZHDFXKKT-FQEVSTJZSA-N 2 1 329.488 2.523 10 30 EFEEMP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001724273040 1424719890 /nfs/dbraw/zinc/71/98/90/1424719890.db2.gz MQBRMBZHDFXKKT-FQEVSTJZSA-N 2 1 329.488 2.523 10 30 EFEEMP C=CCC[C@H](C)[NH+]1CCC(C)(CNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001724292712 1424722440 /nfs/dbraw/zinc/72/24/40/1424722440.db2.gz VMVLVJGAINVFAO-INIZCTEOSA-N 2 1 332.492 2.765 10 30 EFEEMP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001724297099 1424724789 /nfs/dbraw/zinc/72/47/89/1424724789.db2.gz FAHHKDFDJFACKJ-KRWDZBQOSA-N 2 1 344.503 2.548 10 30 EFEEMP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001724301988 1424725646 /nfs/dbraw/zinc/72/56/46/1424725646.db2.gz VDAUKVDNABDFEY-MSOLQXFVSA-N 2 1 333.520 2.798 10 30 EFEEMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001724325622 1424736318 /nfs/dbraw/zinc/73/63/18/1424736318.db2.gz ZTXMSBNUPAAQKD-FPOVZHCZSA-N 2 1 345.531 2.635 10 30 EFEEMP CC#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001724325622 1424736324 /nfs/dbraw/zinc/73/63/24/1424736324.db2.gz ZTXMSBNUPAAQKD-FPOVZHCZSA-N 2 1 345.531 2.635 10 30 EFEEMP CC#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001724325622 1424736328 /nfs/dbraw/zinc/73/63/28/1424736328.db2.gz ZTXMSBNUPAAQKD-FPOVZHCZSA-N 2 1 345.531 2.635 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001724608023 1424826273 /nfs/dbraw/zinc/82/62/73/1424826273.db2.gz OCBIOKLAOYTDNH-QUCCMNQESA-N 2 1 343.515 2.769 10 30 EFEEMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001724608023 1424826283 /nfs/dbraw/zinc/82/62/83/1424826283.db2.gz OCBIOKLAOYTDNH-QUCCMNQESA-N 2 1 343.515 2.769 10 30 EFEEMP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001724610683 1424830455 /nfs/dbraw/zinc/83/04/55/1424830455.db2.gz KGNZGOLKPSACNA-UFYCRDLUSA-N 2 1 347.547 2.642 10 30 EFEEMP C=C(Cl)C[NH2+]CCN(Cc1ccccc1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001724615337 1424836500 /nfs/dbraw/zinc/83/65/00/1424836500.db2.gz FSQBKJZAVYAXFU-SFHVURJKSA-N 2 1 349.906 2.699 10 30 EFEEMP C=CCCCCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001724660343 1424901904 /nfs/dbraw/zinc/90/19/04/1424901904.db2.gz WPVVWSXEUFAYJG-IPMKNSEASA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001724660343 1424901908 /nfs/dbraw/zinc/90/19/08/1424901908.db2.gz WPVVWSXEUFAYJG-IPMKNSEASA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCCCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001724660343 1424901910 /nfs/dbraw/zinc/90/19/10/1424901910.db2.gz WPVVWSXEUFAYJG-IPMKNSEASA-N 2 1 333.520 2.607 10 30 EFEEMP C=CCC[N@H+](C)Cc1ccccc1CNC(=O)C1CC[NH+](C)CC1 ZINC001724737513 1424962913 /nfs/dbraw/zinc/96/29/13/1424962913.db2.gz BHYGKXMCMIUGGM-UHFFFAOYSA-N 2 1 329.488 2.653 10 30 EFEEMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CCC1 ZINC001724782915 1425009568 /nfs/dbraw/zinc/00/95/68/1425009568.db2.gz FQCMLJHRKNXUDE-SFHVURJKSA-N 2 1 333.520 2.988 10 30 EFEEMP CC#CC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001724837821 1425052158 /nfs/dbraw/zinc/05/21/58/1425052158.db2.gz RQBRFNSBRTTYQI-SFHVURJKSA-N 2 1 333.520 2.635 10 30 EFEEMP CC#CC[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001724837821 1425052163 /nfs/dbraw/zinc/05/21/63/1425052163.db2.gz RQBRFNSBRTTYQI-SFHVURJKSA-N 2 1 333.520 2.635 10 30 EFEEMP CC#CC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001724837821 1425052169 /nfs/dbraw/zinc/05/21/69/1425052169.db2.gz RQBRFNSBRTTYQI-SFHVURJKSA-N 2 1 333.520 2.635 10 30 EFEEMP C=CCCC[NH+](C)CCCN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001724854727 1425072474 /nfs/dbraw/zinc/07/24/74/1425072474.db2.gz CYACLKCHFBESLJ-LJQANCHMSA-N 2 1 341.515 2.945 10 30 EFEEMP C=CCCC[N@H+](C)CCCN(C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001724854727 1425072465 /nfs/dbraw/zinc/07/24/65/1425072465.db2.gz CYACLKCHFBESLJ-LJQANCHMSA-N 2 1 341.515 2.945 10 30 EFEEMP C=CCCC[NH+](C)CCCN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001724854727 1425072486 /nfs/dbraw/zinc/07/24/86/1425072486.db2.gz CYACLKCHFBESLJ-LJQANCHMSA-N 2 1 341.515 2.945 10 30 EFEEMP C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001724901306 1425122214 /nfs/dbraw/zinc/12/22/14/1425122214.db2.gz YMVIWMSKYTXKRA-NRFANRHFSA-N 2 1 347.547 2.999 10 30 EFEEMP C=CCCC[N@H+]1Cc2ccc(CNC(=O)C34CC[NH+](CC3)C4)cc2C1 ZINC001724924076 1425137491 /nfs/dbraw/zinc/13/74/91/1425137491.db2.gz SXIGKRPFNIMBSH-UHFFFAOYSA-N 2 1 339.483 2.680 10 30 EFEEMP C=CCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001724970080 1425178652 /nfs/dbraw/zinc/17/86/52/1425178652.db2.gz LAOJRSKQIRJUHT-MSOLQXFVSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001724970080 1425178661 /nfs/dbraw/zinc/17/86/61/1425178661.db2.gz LAOJRSKQIRJUHT-MSOLQXFVSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001724970080 1425178666 /nfs/dbraw/zinc/17/86/66/1425178666.db2.gz LAOJRSKQIRJUHT-MSOLQXFVSA-N 2 1 335.536 2.901 10 30 EFEEMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cnc2C)C[C@@H]1C ZINC001724997968 1425209203 /nfs/dbraw/zinc/20/92/03/1425209203.db2.gz BLDACGAKVDQZBL-RDJZCZTQSA-N 2 1 332.492 2.976 10 30 EFEEMP C=CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001725027033 1425237801 /nfs/dbraw/zinc/23/78/01/1425237801.db2.gz OCSFHQBBJMPWEP-IBGZPJMESA-N 2 1 335.536 2.855 10 30 EFEEMP C=CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001725027033 1425237806 /nfs/dbraw/zinc/23/78/06/1425237806.db2.gz OCSFHQBBJMPWEP-IBGZPJMESA-N 2 1 335.536 2.855 10 30 EFEEMP C=CC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001725027033 1425237812 /nfs/dbraw/zinc/23/78/12/1425237812.db2.gz OCSFHQBBJMPWEP-IBGZPJMESA-N 2 1 335.536 2.855 10 30 EFEEMP C=CCC[C@@H](C)[NH2+]C1CCC(N(C)C(=O)Cn2c[nH+]cc2C)CC1 ZINC001725132158 1425321981 /nfs/dbraw/zinc/32/19/81/1425321981.db2.gz VAKHDKNQIHVAKI-FAEJEUNOSA-N 2 1 332.492 2.905 10 30 EFEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[C@H]([NH2+]CC1CCCC1)C(C)C ZINC001725212792 1425382391 /nfs/dbraw/zinc/38/23/91/1425382391.db2.gz NCGPQFHKLPWFNP-PMACEKPBSA-N 2 1 347.547 2.737 10 30 EFEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[C@H]([NH2+]CC1CCCC1)C(C)C ZINC001725212792 1425382396 /nfs/dbraw/zinc/38/23/96/1425382396.db2.gz NCGPQFHKLPWFNP-PMACEKPBSA-N 2 1 347.547 2.737 10 30 EFEEMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001725271059 1425427575 /nfs/dbraw/zinc/42/75/75/1425427575.db2.gz XYVJAOVHPIRTSC-VQIMIIECSA-N 2 1 329.488 2.692 10 30 EFEEMP C=CCC[N@H+]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001725287814 1425441471 /nfs/dbraw/zinc/44/14/71/1425441471.db2.gz VOLNOTXSPVJZDL-HOTGVXAUSA-N 2 1 332.492 2.799 10 30 EFEEMP C=CCC[N@@H+]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001725287814 1425441474 /nfs/dbraw/zinc/44/14/74/1425441474.db2.gz VOLNOTXSPVJZDL-HOTGVXAUSA-N 2 1 332.492 2.799 10 30 EFEEMP C=CCC[C@@H](C)[N@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC001725290018 1425444153 /nfs/dbraw/zinc/44/41/53/1425444153.db2.gz NVJHZARBYNAXHP-SJORKVTESA-N 2 1 333.520 2.796 10 30 EFEEMP C=C(C)C[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001725337289 1425481974 /nfs/dbraw/zinc/48/19/74/1425481974.db2.gz OWJZBTNKRBLEIB-RCCFBDPRSA-N 2 1 335.536 2.757 10 30 EFEEMP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001725337289 1425481976 /nfs/dbraw/zinc/48/19/76/1425481976.db2.gz OWJZBTNKRBLEIB-RCCFBDPRSA-N 2 1 335.536 2.757 10 30 EFEEMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001725337289 1425481980 /nfs/dbraw/zinc/48/19/80/1425481980.db2.gz OWJZBTNKRBLEIB-RCCFBDPRSA-N 2 1 335.536 2.757 10 30 EFEEMP CC#CC[NH2+]CCCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001725427153 1425574156 /nfs/dbraw/zinc/57/41/56/1425574156.db2.gz IXNIUAWDYSHCAS-FQEVSTJZSA-N 2 1 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